----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:34:19]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.335962410202873 0.000000000000000 0.000000000000000 b 0.000000000000000 6.134694770000000 0.000000000000000 c -2.012016321232400 0.000000000000000 9.797065045436401 Atomic positions (fractional): *1 Li 0.26346699444490 0.62914699561481 0.49806577203501 6.941 2 Li 0.73653300555510 0.37085300438519 0.50193422796499 6.941 3 Li 0.73653300555510 0.62914699561481 0.00193422796499 6.941 4 Li 0.26346699444490 0.37085300438519 0.99806577203501 6.941 *5 Li 0.50000000000000 0.16412762659025 0.25000000000000 6.941 *6 Li 0.00000000000000 0.88461620703759 0.25000000000000 6.941 7 Li 0.00000000000000 0.11538379296241 0.75000000000000 6.941 8 Li 0.50000000000000 0.83587237340975 0.75000000000000 6.941 *9 Zr 0.26816606711887 0.13853626885707 0.52430604506917 91.224 *10 Zr 0.00000000000000 0.40049511709986 0.25000000000000 91.224 11 Zr 0.73183393288113 0.86146373114293 0.47569395493083 91.224 12 Zr 0.00000000000000 0.59950488290014 0.75000000000000 91.224 13 Zr 0.73183393288113 0.13853626885707 0.97569395493083 91.224 14 Zr 0.26816606711887 0.86146373114293 0.02430604506916 91.224 *15 O 0.10540728357724 0.62773232368521 0.12643420353772 15.999 16 O 0.89459271642277 0.62773232368521 0.37356579646228 15.999 *17 O 0.88546248715056 0.12994310217326 0.37831239275894 15.999 18 O 0.11453751284944 0.87005689782674 0.62168760724106 15.999 *19 O 0.63353824395553 0.09931769369625 0.61288367481265 15.999 *20 O 0.34708863163775 0.35998070319700 0.38465699399309 15.999 21 O 0.11453751284944 0.12994310217326 0.12168760724106 15.999 22 O 0.36646175604447 0.90068230630375 0.38711632518735 15.999 23 O 0.65291136836225 0.35998070319700 0.11534300600691 15.999 24 O 0.34708863163775 0.64001929680299 0.88465699399309 15.999 25 O 0.65291136836225 0.64001929680299 0.61534300600691 15.999 26 O 0.88546248715056 0.87005689782674 0.87831239275894 15.999 27 O 0.10540728357724 0.37226767631479 0.62643420353772 15.999 28 O 0.36646175604447 0.09931769369625 0.88711632518735 15.999 29 O 0.89459271642277 0.37226767631479 0.87356579646228 15.999 30 O 0.63353824395553 0.90068230630375 0.11288367481265 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.335962410202873 0.000000000000000 0.000000000000000 b 0.000000000000000 6.134694770000000 0.000000000000000 c -2.012016321232400 0.000000000000000 9.797065045436401 Atomic positions (fractional): *1 Li 0.26346699444490 0.62914699561481 0.49806577203501 6.941 > 1 2 Li 0.73653300555510 0.37085300438519 0.50193422796499 6.941 > 2 3 Li 0.73653300555510 0.62914699561481 0.00193422796499 6.941 > 3 4 Li 0.26346699444490 0.37085300438519 0.99806577203501 6.941 > 4 *5 Li 0.50000000000000 0.16412762659025 0.25000000000000 6.941 > 5 *6 Li 0.00000000000000 0.88461620703759 0.25000000000000 6.941 > 6 7 Li 0.00000000000000 0.11538379296241 0.75000000000000 6.941 > 7 8 Li 0.50000000000000 0.83587237340975 0.75000000000000 6.941 > 8 *9 Zr 0.26816606711887 0.13853626885707 0.52430604506917 91.224 > 9 *10 Zr 0.00000000000000 0.40049511709986 0.25000000000000 91.224 > 10 11 Zr 0.73183393288113 0.86146373114293 0.47569395493083 91.224 > 11 12 Zr 0.00000000000000 0.59950488290014 0.75000000000000 91.224 > 12 13 Zr 0.73183393288113 0.13853626885707 0.97569395493083 91.224 > 13 14 Zr 0.26816606711887 0.86146373114293 0.02430604506916 91.224 > 14 *15 O 0.10540728357724 0.62773232368521 0.12643420353772 15.999 > 15 16 O 0.89459271642277 0.62773232368521 0.37356579646228 15.999 > 16 *17 O 0.88546248715056 0.12994310217326 0.37831239275894 15.999 > 17 18 O 0.11453751284944 0.87005689782674 0.62168760724106 15.999 > 18 *19 O 0.63353824395553 0.09931769369625 0.61288367481265 15.999 > 19 *20 O 0.34708863163775 0.35998070319700 0.38465699399309 15.999 > 20 21 O 0.11453751284944 0.12994310217326 0.12168760724106 15.999 > 21 22 O 0.36646175604447 0.90068230630375 0.38711632518735 15.999 > 22 23 O 0.65291136836225 0.35998070319700 0.11534300600691 15.999 > 23 24 O 0.34708863163775 0.64001929680299 0.88465699399309 15.999 > 24 25 O 0.65291136836225 0.64001929680299 0.61534300600691 15.999 > 25 26 O 0.88546248715056 0.87005689782674 0.87831239275894 15.999 > 26 27 O 0.10540728357724 0.37226767631479 0.62643420353772 15.999 > 27 28 O 0.36646175604447 0.09931769369625 0.88711632518735 15.999 > 28 29 O 0.89459271642277 0.37226767631479 0.87356579646228 15.999 > 29 30 O 0.63353824395553 0.90068230630375 0.11288367481265 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.671924820405746 0.000000000000000 0.000000000000000 b 0.000000000000000 12.269389540000001 0.000000000000000 c -2.012016321232400 0.000000000000000 9.797065045436401 Atomic positions (fractional): *1 Li 0.13173349722245 0.31457349780741 0.49806577203501 6.941 > 1 2 Li 0.63173349722245 0.31457349780741 0.49806577203501 6.941 > 1 3 Li 0.13173349722245 0.81457349780741 0.49806577203501 6.941 > 1 4 Li 0.63173349722245 0.81457349780741 0.49806577203501 6.941 > 1 5 Li 0.36826650277755 0.18542650219259 0.50193422796499 6.941 > 2 6 Li 0.86826650277755 0.18542650219259 0.50193422796499 6.941 > 2 7 Li 0.36826650277755 0.68542650219259 0.50193422796499 6.941 > 2 8 Li 0.86826650277755 0.68542650219259 0.50193422796499 6.941 > 2 9 Li 0.36826650277755 0.31457349780741 0.00193422796499 6.941 > 3 10 Li 0.86826650277755 0.31457349780741 0.00193422796499 6.941 > 3 11 Li 0.36826650277755 0.81457349780741 0.00193422796499 6.941 > 3 12 Li 0.86826650277755 0.81457349780741 0.00193422796499 6.941 > 3 13 Li 0.13173349722245 0.18542650219259 0.99806577203501 6.941 > 4 14 Li 0.63173349722245 0.18542650219259 0.99806577203501 6.941 > 4 15 Li 0.13173349722245 0.68542650219259 0.99806577203501 6.941 > 4 16 Li 0.63173349722245 0.68542650219259 0.99806577203501 6.941 > 4 *17 Li 0.25000000000000 0.08206381329512 0.25000000000000 6.941 > 5 18 Li 0.75000000000000 0.08206381329512 0.25000000000000 6.941 > 5 19 Li 0.25000000000000 0.58206381329512 0.25000000000000 6.941 > 5 20 Li 0.75000000000000 0.58206381329512 0.25000000000000 6.941 > 5 *21 Li 0.00000000000000 0.44230810351880 0.25000000000000 6.941 > 6 22 Li 0.50000000000000 0.44230810351880 0.25000000000000 6.941 > 6 23 Li 0.00000000000000 0.94230810351880 0.25000000000000 6.941 > 6 24 Li 0.50000000000000 0.94230810351880 0.25000000000000 6.941 > 6 25 Li 0.00000000000000 0.05769189648120 0.75000000000000 6.941 > 7 26 Li 0.50000000000000 0.05769189648120 0.75000000000000 6.941 > 7 27 Li 0.00000000000000 0.55769189648120 0.75000000000000 6.941 > 7 28 Li 0.50000000000000 0.55769189648120 0.75000000000000 6.941 > 7 29 Li 0.25000000000000 0.41793618670488 0.75000000000000 6.941 > 8 30 Li 0.75000000000000 0.41793618670488 0.75000000000000 6.941 > 8 31 Li 0.25000000000000 0.91793618670488 0.75000000000000 6.941 > 8 32 Li 0.75000000000000 0.91793618670488 0.75000000000000 6.941 > 8 *33 Zr 0.13408303355944 0.06926813442853 0.52430604506917 91.224 > 9 34 Zr 0.63408303355944 0.06926813442853 0.52430604506917 91.224 > 9 35 Zr 0.13408303355944 0.56926813442853 0.52430604506917 91.224 > 9 36 Zr 0.63408303355944 0.56926813442853 0.52430604506917 91.224 > 9 *37 Zr 0.00000000000000 0.20024755854993 0.25000000000000 91.224 > 10 38 Zr 0.50000000000000 0.20024755854993 0.25000000000000 91.224 > 10 39 Zr 0.00000000000000 0.70024755854993 0.25000000000000 91.224 > 10 40 Zr 0.50000000000000 0.70024755854993 0.25000000000000 91.224 > 10 41 Zr 0.36591696644056 0.43073186557147 0.47569395493083 91.224 > 11 42 Zr 0.86591696644056 0.43073186557147 0.47569395493083 91.224 > 11 43 Zr 0.36591696644056 0.93073186557147 0.47569395493083 91.224 > 11 44 Zr 0.86591696644056 0.93073186557147 0.47569395493083 91.224 > 11 45 Zr 0.00000000000000 0.29975244145007 0.75000000000000 91.224 > 12 46 Zr 0.50000000000000 0.29975244145007 0.75000000000000 91.224 > 12 47 Zr 0.00000000000000 0.79975244145007 0.75000000000000 91.224 > 12 48 Zr 0.50000000000000 0.79975244145007 0.75000000000000 91.224 > 12 49 Zr 0.36591696644056 0.06926813442853 0.97569395493083 91.224 > 13 50 Zr 0.86591696644056 0.06926813442853 0.97569395493083 91.224 > 13 51 Zr 0.36591696644056 0.56926813442853 0.97569395493083 91.224 > 13 52 Zr 0.86591696644056 0.56926813442853 0.97569395493083 91.224 > 13 53 Zr 0.13408303355944 0.43073186557147 0.02430604506916 91.224 > 14 54 Zr 0.63408303355944 0.43073186557147 0.02430604506916 91.224 > 14 55 Zr 0.13408303355944 0.93073186557147 0.02430604506916 91.224 > 14 56 Zr 0.63408303355944 0.93073186557147 0.02430604506916 91.224 > 14 *57 O 0.05270364178862 0.31386616184261 0.12643420353772 15.999 > 15 58 O 0.55270364178862 0.31386616184261 0.12643420353772 15.999 > 15 59 O 0.05270364178862 0.81386616184261 0.12643420353772 15.999 > 15 60 O 0.55270364178862 0.81386616184261 0.12643420353772 15.999 > 15 61 O 0.44729635821138 0.31386616184261 0.37356579646228 15.999 > 16 62 O 0.94729635821138 0.31386616184261 0.37356579646228 15.999 > 16 63 O 0.44729635821138 0.81386616184261 0.37356579646228 15.999 > 16 64 O 0.94729635821138 0.81386616184261 0.37356579646228 15.999 > 16 *65 O 0.44273124357528 0.06497155108663 0.37831239275894 15.999 > 17 66 O 0.94273124357528 0.06497155108663 0.37831239275894 15.999 > 17 67 O 0.44273124357528 0.56497155108663 0.37831239275894 15.999 > 17 68 O 0.94273124357528 0.56497155108663 0.37831239275894 15.999 > 17 69 O 0.05726875642472 0.43502844891337 0.62168760724106 15.999 > 18 70 O 0.55726875642472 0.43502844891337 0.62168760724106 15.999 > 18 71 O 0.05726875642472 0.93502844891337 0.62168760724106 15.999 > 18 72 O 0.55726875642472 0.93502844891337 0.62168760724106 15.999 > 18 *73 O 0.31676912197777 0.04965884684812 0.61288367481265 15.999 > 19 74 O 0.81676912197777 0.04965884684812 0.61288367481265 15.999 > 19 75 O 0.31676912197777 0.54965884684812 0.61288367481265 15.999 > 19 76 O 0.81676912197777 0.54965884684812 0.61288367481265 15.999 > 19 *77 O 0.17354431581887 0.17999035159850 0.38465699399309 15.999 > 20 78 O 0.67354431581887 0.17999035159850 0.38465699399309 15.999 > 20 79 O 0.17354431581887 0.67999035159850 0.38465699399309 15.999 > 20 80 O 0.67354431581887 0.67999035159850 0.38465699399309 15.999 > 20 81 O 0.05726875642472 0.06497155108663 0.12168760724106 15.999 > 21 82 O 0.55726875642472 0.06497155108663 0.12168760724106 15.999 > 21 83 O 0.05726875642472 0.56497155108663 0.12168760724106 15.999 > 21 84 O 0.55726875642472 0.56497155108663 0.12168760724106 15.999 > 21 85 O 0.18323087802224 0.45034115315188 0.38711632518735 15.999 > 22 86 O 0.68323087802224 0.45034115315188 0.38711632518735 15.999 > 22 87 O 0.18323087802224 0.95034115315188 0.38711632518735 15.999 > 22 88 O 0.68323087802224 0.95034115315188 0.38711632518735 15.999 > 22 89 O 0.32645568418113 0.17999035159850 0.11534300600691 15.999 > 23 90 O 0.82645568418113 0.17999035159850 0.11534300600691 15.999 > 23 91 O 0.32645568418113 0.67999035159850 0.11534300600691 15.999 > 23 92 O 0.82645568418113 0.67999035159850 0.11534300600691 15.999 > 23 93 O 0.17354431581887 0.32000964840150 0.88465699399309 15.999 > 24 94 O 0.67354431581887 0.32000964840150 0.88465699399309 15.999 > 24 95 O 0.17354431581887 0.82000964840150 0.88465699399309 15.999 > 24 96 O 0.67354431581887 0.82000964840150 0.88465699399309 15.999 > 24 97 O 0.32645568418113 0.32000964840150 0.61534300600691 15.999 > 25 98 O 0.82645568418113 0.32000964840150 0.61534300600691 15.999 > 25 99 O 0.32645568418113 0.82000964840150 0.61534300600691 15.999 > 25 100 O 0.82645568418113 0.82000964840150 0.61534300600691 15.999 > 25 101 O 0.44273124357528 0.43502844891337 0.87831239275894 15.999 > 26 102 O 0.94273124357528 0.43502844891337 0.87831239275894 15.999 > 26 103 O 0.44273124357528 0.93502844891337 0.87831239275894 15.999 > 26 104 O 0.94273124357528 0.93502844891337 0.87831239275894 15.999 > 26 105 O 0.05270364178862 0.18613383815740 0.62643420353772 15.999 > 27 106 O 0.55270364178862 0.18613383815740 0.62643420353772 15.999 > 27 107 O 0.05270364178862 0.68613383815740 0.62643420353772 15.999 > 27 108 O 0.55270364178862 0.68613383815740 0.62643420353772 15.999 > 27 109 O 0.18323087802224 0.04965884684812 0.88711632518735 15.999 > 28 110 O 0.68323087802224 0.04965884684812 0.88711632518735 15.999 > 28 111 O 0.18323087802224 0.54965884684812 0.88711632518735 15.999 > 28 112 O 0.68323087802224 0.54965884684812 0.88711632518735 15.999 > 28 113 O 0.44729635821138 0.18613383815740 0.87356579646228 15.999 > 29 114 O 0.94729635821138 0.18613383815740 0.87356579646228 15.999 > 29 115 O 0.44729635821138 0.68613383815740 0.87356579646228 15.999 > 29 116 O 0.94729635821138 0.68613383815740 0.87356579646228 15.999 > 29 117 O 0.31676912197777 0.45034115315188 0.11288367481265 15.999 > 30 118 O 0.81676912197777 0.45034115315188 0.11288367481265 15.999 > 30 119 O 0.31676912197777 0.95034115315188 0.11288367481265 15.999 > 30 120 O 0.81676912197777 0.95034115315188 0.11288367481265 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3344823 0.0000000 -0.1331989 0.0000000 4.3805644 0.0000000 -0.1332048 0.0000000 4.2561485 -------------------------- Born effective charges -------------------------- 1 Li 1.1187177 0.1709711 0.0676247 0.0808449 1.1385212 0.0928911 0.0757790 0.0437913 0.8594840 2 Li 1.1187177 0.1709711 0.0676247 0.0808449 1.1385212 0.0928911 0.0757790 0.0437913 0.8594840 3 Li 1.1187177 -0.1709711 0.0676247 -0.0808449 1.1385212 -0.0928911 0.0757790 -0.0437913 0.8594840 4 Li 1.1187177 -0.1709711 0.0676247 -0.0808449 1.1385212 -0.0928911 0.0757790 -0.0437913 0.8594840 5 Li 1.2027259 -0.0000000 -0.0721957 -0.0000000 0.8191000 -0.0000000 -0.0626328 0.0000000 1.2498866 6 Li 1.0517155 -0.0000000 0.1662515 -0.0000000 1.0053898 -0.0000000 0.1572497 0.0000000 1.2047243 7 Li 1.0517155 -0.0000000 0.1662515 -0.0000000 1.0053898 -0.0000000 0.1572497 0.0000000 1.2047243 8 Li 1.2027259 -0.0000000 -0.0721957 -0.0000000 0.8191000 -0.0000000 -0.0626328 0.0000000 1.2498866 9 Zr 5.5160420 -1.0019312 -0.3501331 -0.7411390 5.1586594 -0.0578067 -0.7021653 -0.3024975 4.3182864 10 Zr 4.3071575 -0.0000000 -0.4562304 -0.0000000 5.8614211 -0.0000000 0.3390922 0.0000000 6.5226082 11 Zr 5.5160420 -1.0019312 -0.3501331 -0.7411390 5.1586594 -0.0578067 -0.7021653 -0.3024975 4.3182864 12 Zr 4.3071575 -0.0000000 -0.4562304 -0.0000000 5.8614211 -0.0000000 0.3390922 0.0000000 6.5226082 13 Zr 5.5160420 1.0019312 -0.3501331 0.7411390 5.1586594 0.0578067 -0.7021653 0.3024975 4.3182864 14 Zr 5.5160420 1.0019312 -0.3501331 0.7411390 5.1586594 0.0578067 -0.7021653 0.3024975 4.3182864 15 O -2.1214385 -1.1776067 0.9967398 -1.1773301 -3.3638352 1.3739661 0.9860835 1.3743193 -2.5729915 16 O -2.1214385 1.1776067 0.9967398 1.1773301 -3.3638352 -1.3739661 0.9860835 -1.3743193 -2.5729915 17 O -2.5380149 -0.6856092 0.1085844 -0.6812991 -2.7220501 0.7549429 0.1462911 0.8885905 -2.3977769 18 O -2.5380149 -0.6856092 0.1085844 -0.6812991 -2.7220501 0.7549429 0.1462911 0.8885905 -2.3977769 19 O -3.0680085 0.7232620 -0.1914938 0.6021837 -1.9176514 -0.2283930 -0.2416524 -0.1030736 -1.8765678 20 O -2.1880972 0.1049463 -0.4502348 0.0717414 -2.1365993 0.7081275 -0.4811905 0.7365722 -2.8190437 21 O -2.5380149 0.6856092 0.1085844 0.6812991 -2.7220501 -0.7549429 0.1462911 -0.8885905 -2.3977769 22 O -3.0680085 0.7232620 -0.1914938 0.6021837 -1.9176514 -0.2283930 -0.2416524 -0.1030736 -1.8765678 23 O -2.1880972 -0.1049463 -0.4502348 -0.0717414 -2.1365993 -0.7081275 -0.4811905 -0.7365722 -2.8190437 24 O -2.1880972 -0.1049463 -0.4502348 -0.0717414 -2.1365993 -0.7081275 -0.4811905 -0.7365722 -2.8190437 25 O -2.1880972 0.1049463 -0.4502348 0.0717414 -2.1365993 0.7081275 -0.4811905 0.7365722 -2.8190437 26 O -2.5380149 0.6856092 0.1085844 0.6812991 -2.7220501 -0.7549429 0.1462911 -0.8885905 -2.3977769 27 O -2.1214385 1.1776067 0.9967398 1.1773301 -3.3638352 -1.3739661 0.9860835 -1.3743193 -2.5729915 28 O -3.0680085 -0.7232620 -0.1914938 -0.6021837 -1.9176514 0.2283930 -0.2416524 0.1030736 -1.8765678 29 O -2.1214385 -1.1776067 0.9967398 -1.1773301 -3.3638352 1.3739661 0.9860835 1.3743193 -2.5729915 30 O -3.0680085 -0.7232620 -0.1914938 -0.6021837 -1.9176514 0.2283930 -0.2416524 0.1030736 -1.8765678 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4240 Number of blocks in projector: 4240 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: 920 Use submatrix version of eigh solver. (1) Block: 500 / 920 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 920 / 920 (1) 406 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 880 Use submatrix version of eigh solver. (1) Block: 500 / 880 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 880 / 880 (1) 370 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 880 Use submatrix version of eigh solver. (1) Block: 500 / 880 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 880 / 880 (1) 370 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 241 eigenvectors found. (2) Block: 520 / 520 (2) 261 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 241 eigenvectors found. (2) Block: 520 / 520 (2) 261 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 241 eigenvectors found. (2) Block: 520 / 520 (2) 261 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4240, 4172), data: False |-- (520, 511), data: False |-- (520, 511), data: False |-- (520, 9), data: (520, 18) @ (18, 9) |-- (270, 261), data: True |-- (250, 241), data: True |-- (520, 511), data: False |-- (520, 511), data: False |-- (520, 9), data: (520, 18) @ (18, 9) |-- (270, 261), data: True |-- (250, 241), data: True |-- (520, 511), data: False |-- (520, 511), data: False |-- (520, 9), data: (520, 18) @ (18, 9) |-- (270, 261), data: True |-- (250, 241), data: True |-- (880, 868), data: False |-- (880, 10), data: (880, 22) @ (22, 10) |-- (380, 370), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (880, 868), data: False |-- (880, 10), data: (880, 22) @ (22, 10) |-- (380, 370), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (920, 903), data: False |-- (920, 14), data: (920, 31) @ (31, 14) |-- (420, 406), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.191 Solver_block: 200 / 960 - Time: 1.046 Solver_block: 300 / 960 - Time: 1.045 Solver_block: 400 / 960 - Time: 1.045 Solver_block: 500 / 960 - Time: 1.053 Solver_block: 600 / 960 - Time: 1.050 Solver_block: 700 / 960 - Time: 1.046 Solver_block: 800 / 960 - Time: 1.049 Solver_block: 900 / 960 - Time: 1.048 Solver_block: 960 / 960 - Time: 0.728 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.551 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4240 Number of blocks in projector: 4240 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: 920 Use submatrix version of eigh solver. (1) Block: 500 / 920 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 920 / 920 (1) 406 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 880 Use submatrix version of eigh solver. (1) Block: 500 / 880 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 880 / 880 (1) 370 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 880 Use submatrix version of eigh solver. (1) Block: 500 / 880 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 880 / 880 (1) 370 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 241 eigenvectors found. (2) Block: 520 / 520 (2) 261 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 241 eigenvectors found. (2) Block: 520 / 520 (2) 261 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 241 eigenvectors found. (2) Block: 520 / 520 (2) 261 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4240, 4172), data: False |-- (520, 511), data: False |-- (520, 511), data: False |-- (520, 9), data: (520, 18) @ (18, 9) |-- (270, 261), data: True |-- (250, 241), data: True |-- (520, 511), data: False |-- (520, 511), data: False |-- (520, 9), data: (520, 18) @ (18, 9) |-- (270, 261), data: True |-- (250, 241), data: True |-- (520, 511), data: False |-- (520, 511), data: False |-- (520, 9), data: (520, 18) @ (18, 9) |-- (270, 261), data: True |-- (250, 241), data: True |-- (880, 868), data: False |-- (880, 10), data: (880, 22) @ (22, 10) |-- (380, 370), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (880, 868), data: False |-- (880, 10), data: (880, 22) @ (22, 10) |-- (380, 370), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (920, 903), data: False |-- (920, 14), data: (920, 31) @ (31, 14) |-- (420, 406), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:35:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:35:14]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.335962410202873 0.000000000000000 0.000000000000000 b 0.000000000000000 6.134694770000000 0.000000000000000 c -2.012016321232400 0.000000000000000 9.797065045436401 Atomic positions (fractional): 1 Li 0.26346699444490 0.62914699561481 0.49806577203501 6.941 2 Li 0.73653300555510 0.37085300438519 0.50193422796499 6.941 3 Li 0.73653300555510 0.62914699561481 0.00193422796499 6.941 4 Li 0.26346699444490 0.37085300438519 0.99806577203501 6.941 5 Li 0.50000000000000 0.16412762659025 0.25000000000000 6.941 6 Li 0.00000000000000 0.88461620703759 0.25000000000000 6.941 7 Li 0.00000000000000 0.11538379296241 0.75000000000000 6.941 8 Li 0.50000000000000 0.83587237340975 0.75000000000000 6.941 9 Zr 0.26816606711887 0.13853626885707 0.52430604506917 91.224 10 Zr 0.00000000000000 0.40049511709986 0.25000000000000 91.224 11 Zr 0.73183393288113 0.86146373114293 0.47569395493083 91.224 12 Zr 0.00000000000000 0.59950488290014 0.75000000000000 91.224 13 Zr 0.73183393288113 0.13853626885707 0.97569395493083 91.224 14 Zr 0.26816606711887 0.86146373114293 0.02430604506916 91.224 15 O 0.10540728357724 0.62773232368521 0.12643420353772 15.999 16 O 0.89459271642277 0.62773232368521 0.37356579646228 15.999 17 O 0.88546248715056 0.12994310217326 0.37831239275894 15.999 18 O 0.11453751284944 0.87005689782674 0.62168760724106 15.999 19 O 0.63353824395553 0.09931769369625 0.61288367481265 15.999 20 O 0.34708863163775 0.35998070319700 0.38465699399309 15.999 21 O 0.11453751284944 0.12994310217326 0.12168760724106 15.999 22 O 0.36646175604447 0.90068230630375 0.38711632518735 15.999 23 O 0.65291136836225 0.35998070319700 0.11534300600691 15.999 24 O 0.34708863163775 0.64001929680299 0.88465699399309 15.999 25 O 0.65291136836225 0.64001929680299 0.61534300600691 15.999 26 O 0.88546248715056 0.87005689782674 0.87831239275894 15.999 27 O 0.10540728357724 0.37226767631479 0.62643420353772 15.999 28 O 0.36646175604447 0.09931769369625 0.88711632518735 15.999 29 O 0.89459271642277 0.37226767631479 0.87356579646228 15.999 30 O 0.63353824395553 0.90068230630375 0.11288367481265 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.671924820405746 0.000000000000000 0.000000000000000 b 0.000000000000000 12.269389540000001 0.000000000000000 c -2.012016321232400 0.000000000000000 9.797065045436401 Atomic positions (fractional): 1 Li 0.13173349722245 0.31457349780741 0.49806577203501 6.941 > 1 2 Li 0.63173349722245 0.31457349780741 0.49806577203501 6.941 > 1 3 Li 0.13173349722245 0.81457349780741 0.49806577203501 6.941 > 1 4 Li 0.63173349722245 0.81457349780741 0.49806577203501 6.941 > 1 5 Li 0.36826650277755 0.18542650219259 0.50193422796499 6.941 > 5 6 Li 0.86826650277755 0.18542650219259 0.50193422796499 6.941 > 5 7 Li 0.36826650277755 0.68542650219259 0.50193422796499 6.941 > 5 8 Li 0.86826650277755 0.68542650219259 0.50193422796499 6.941 > 5 9 Li 0.36826650277755 0.31457349780741 0.00193422796499 6.941 > 9 10 Li 0.86826650277755 0.31457349780741 0.00193422796499 6.941 > 9 11 Li 0.36826650277755 0.81457349780741 0.00193422796499 6.941 > 9 12 Li 0.86826650277755 0.81457349780741 0.00193422796499 6.941 > 9 13 Li 0.13173349722245 0.18542650219259 0.99806577203501 6.941 > 13 14 Li 0.63173349722245 0.18542650219259 0.99806577203501 6.941 > 13 15 Li 0.13173349722245 0.68542650219259 0.99806577203501 6.941 > 13 16 Li 0.63173349722245 0.68542650219259 0.99806577203501 6.941 > 13 17 Li 0.25000000000000 0.08206381329512 0.25000000000000 6.941 > 17 18 Li 0.75000000000000 0.08206381329512 0.25000000000000 6.941 > 17 19 Li 0.25000000000000 0.58206381329512 0.25000000000000 6.941 > 17 20 Li 0.75000000000000 0.58206381329512 0.25000000000000 6.941 > 17 21 Li 0.00000000000000 0.44230810351880 0.25000000000000 6.941 > 21 22 Li 0.50000000000000 0.44230810351880 0.25000000000000 6.941 > 21 23 Li 0.00000000000000 0.94230810351880 0.25000000000000 6.941 > 21 24 Li 0.50000000000000 0.94230810351880 0.25000000000000 6.941 > 21 25 Li 0.00000000000000 0.05769189648120 0.75000000000000 6.941 > 25 26 Li 0.50000000000000 0.05769189648120 0.75000000000000 6.941 > 25 27 Li 0.00000000000000 0.55769189648120 0.75000000000000 6.941 > 25 28 Li 0.50000000000000 0.55769189648120 0.75000000000000 6.941 > 25 29 Li 0.25000000000000 0.41793618670488 0.75000000000000 6.941 > 29 30 Li 0.75000000000000 0.41793618670488 0.75000000000000 6.941 > 29 31 Li 0.25000000000000 0.91793618670488 0.75000000000000 6.941 > 29 32 Li 0.75000000000000 0.91793618670488 0.75000000000000 6.941 > 29 33 Zr 0.13408303355944 0.06926813442853 0.52430604506917 91.224 > 33 34 Zr 0.63408303355944 0.06926813442853 0.52430604506917 91.224 > 33 35 Zr 0.13408303355944 0.56926813442853 0.52430604506917 91.224 > 33 36 Zr 0.63408303355944 0.56926813442853 0.52430604506917 91.224 > 33 37 Zr 0.00000000000000 0.20024755854993 0.25000000000000 91.224 > 37 38 Zr 0.50000000000000 0.20024755854993 0.25000000000000 91.224 > 37 39 Zr 0.00000000000000 0.70024755854993 0.25000000000000 91.224 > 37 40 Zr 0.50000000000000 0.70024755854993 0.25000000000000 91.224 > 37 41 Zr 0.36591696644056 0.43073186557147 0.47569395493083 91.224 > 41 42 Zr 0.86591696644056 0.43073186557147 0.47569395493083 91.224 > 41 43 Zr 0.36591696644056 0.93073186557147 0.47569395493083 91.224 > 41 44 Zr 0.86591696644056 0.93073186557147 0.47569395493083 91.224 > 41 45 Zr 0.00000000000000 0.29975244145007 0.75000000000000 91.224 > 45 46 Zr 0.50000000000000 0.29975244145007 0.75000000000000 91.224 > 45 47 Zr 0.00000000000000 0.79975244145007 0.75000000000000 91.224 > 45 48 Zr 0.50000000000000 0.79975244145007 0.75000000000000 91.224 > 45 49 Zr 0.36591696644056 0.06926813442853 0.97569395493083 91.224 > 49 50 Zr 0.86591696644056 0.06926813442853 0.97569395493083 91.224 > 49 51 Zr 0.36591696644056 0.56926813442853 0.97569395493083 91.224 > 49 52 Zr 0.86591696644056 0.56926813442853 0.97569395493083 91.224 > 49 53 Zr 0.13408303355944 0.43073186557147 0.02430604506916 91.224 > 53 54 Zr 0.63408303355944 0.43073186557147 0.02430604506916 91.224 > 53 55 Zr 0.13408303355944 0.93073186557147 0.02430604506916 91.224 > 53 56 Zr 0.63408303355944 0.93073186557147 0.02430604506916 91.224 > 53 57 O 0.05270364178862 0.31386616184261 0.12643420353772 15.999 > 57 58 O 0.55270364178862 0.31386616184261 0.12643420353772 15.999 > 57 59 O 0.05270364178862 0.81386616184261 0.12643420353772 15.999 > 57 60 O 0.55270364178862 0.81386616184261 0.12643420353772 15.999 > 57 61 O 0.44729635821138 0.31386616184261 0.37356579646228 15.999 > 61 62 O 0.94729635821138 0.31386616184261 0.37356579646228 15.999 > 61 63 O 0.44729635821138 0.81386616184261 0.37356579646228 15.999 > 61 64 O 0.94729635821138 0.81386616184261 0.37356579646228 15.999 > 61 65 O 0.44273124357528 0.06497155108663 0.37831239275894 15.999 > 65 66 O 0.94273124357528 0.06497155108663 0.37831239275894 15.999 > 65 67 O 0.44273124357528 0.56497155108663 0.37831239275894 15.999 > 65 68 O 0.94273124357528 0.56497155108663 0.37831239275894 15.999 > 65 69 O 0.05726875642472 0.43502844891337 0.62168760724106 15.999 > 69 70 O 0.55726875642472 0.43502844891337 0.62168760724106 15.999 > 69 71 O 0.05726875642472 0.93502844891337 0.62168760724106 15.999 > 69 72 O 0.55726875642472 0.93502844891337 0.62168760724106 15.999 > 69 73 O 0.31676912197777 0.04965884684812 0.61288367481265 15.999 > 73 74 O 0.81676912197777 0.04965884684812 0.61288367481265 15.999 > 73 75 O 0.31676912197777 0.54965884684812 0.61288367481265 15.999 > 73 76 O 0.81676912197777 0.54965884684812 0.61288367481265 15.999 > 73 77 O 0.17354431581887 0.17999035159850 0.38465699399309 15.999 > 77 78 O 0.67354431581887 0.17999035159850 0.38465699399309 15.999 > 77 79 O 0.17354431581887 0.67999035159850 0.38465699399309 15.999 > 77 80 O 0.67354431581887 0.67999035159850 0.38465699399309 15.999 > 77 81 O 0.05726875642472 0.06497155108663 0.12168760724106 15.999 > 81 82 O 0.55726875642472 0.06497155108663 0.12168760724106 15.999 > 81 83 O 0.05726875642472 0.56497155108663 0.12168760724106 15.999 > 81 84 O 0.55726875642472 0.56497155108663 0.12168760724106 15.999 > 81 85 O 0.18323087802224 0.45034115315188 0.38711632518735 15.999 > 85 86 O 0.68323087802224 0.45034115315188 0.38711632518735 15.999 > 85 87 O 0.18323087802224 0.95034115315188 0.38711632518735 15.999 > 85 88 O 0.68323087802224 0.95034115315188 0.38711632518735 15.999 > 85 89 O 0.32645568418113 0.17999035159850 0.11534300600691 15.999 > 89 90 O 0.82645568418113 0.17999035159850 0.11534300600691 15.999 > 89 91 O 0.32645568418113 0.67999035159850 0.11534300600691 15.999 > 89 92 O 0.82645568418113 0.67999035159850 0.11534300600691 15.999 > 89 93 O 0.17354431581887 0.32000964840150 0.88465699399309 15.999 > 93 94 O 0.67354431581887 0.32000964840150 0.88465699399309 15.999 > 93 95 O 0.17354431581887 0.82000964840150 0.88465699399309 15.999 > 93 96 O 0.67354431581887 0.82000964840150 0.88465699399309 15.999 > 93 97 O 0.32645568418113 0.32000964840150 0.61534300600691 15.999 > 97 98 O 0.82645568418113 0.32000964840150 0.61534300600691 15.999 > 97 99 O 0.32645568418113 0.82000964840150 0.61534300600691 15.999 > 97 100 O 0.82645568418113 0.82000964840150 0.61534300600691 15.999 > 97 101 O 0.44273124357528 0.43502844891337 0.87831239275894 15.999 > 101 102 O 0.94273124357528 0.43502844891337 0.87831239275894 15.999 > 101 103 O 0.44273124357528 0.93502844891337 0.87831239275894 15.999 > 101 104 O 0.94273124357528 0.93502844891337 0.87831239275894 15.999 > 101 105 O 0.05270364178862 0.18613383815740 0.62643420353772 15.999 > 105 106 O 0.55270364178862 0.18613383815740 0.62643420353772 15.999 > 105 107 O 0.05270364178862 0.68613383815740 0.62643420353772 15.999 > 105 108 O 0.55270364178862 0.68613383815740 0.62643420353772 15.999 > 105 109 O 0.18323087802224 0.04965884684812 0.88711632518735 15.999 > 109 110 O 0.68323087802224 0.04965884684812 0.88711632518735 15.999 > 109 111 O 0.18323087802224 0.54965884684812 0.88711632518735 15.999 > 109 112 O 0.68323087802224 0.54965884684812 0.88711632518735 15.999 > 109 113 O 0.44729635821138 0.18613383815740 0.87356579646228 15.999 > 113 114 O 0.94729635821138 0.18613383815740 0.87356579646228 15.999 > 113 115 O 0.44729635821138 0.68613383815740 0.87356579646228 15.999 > 113 116 O 0.94729635821138 0.68613383815740 0.87356579646228 15.999 > 113 117 O 0.31676912197777 0.45034115315188 0.11288367481265 15.999 > 117 118 O 0.81676912197777 0.45034115315188 0.11288367481265 15.999 > 117 119 O 0.31676912197777 0.95034115315188 0.11288367481265 15.999 > 117 120 O 0.81676912197777 0.95034115315188 0.11288367481265 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3344823 0.0000000 -0.1331989 0.0000000 4.3805644 0.0000000 -0.1332048 0.0000000 4.2561485 -------------------------- Born effective charges -------------------------- 1 Li 1.1187177 0.1709711 0.0676247 0.0808449 1.1385212 0.0928911 0.0757790 0.0437913 0.8594840 2 Li 1.1187177 0.1709711 0.0676247 0.0808449 1.1385212 0.0928911 0.0757790 0.0437913 0.8594840 3 Li 1.1187177 -0.1709711 0.0676247 -0.0808449 1.1385212 -0.0928911 0.0757790 -0.0437913 0.8594840 4 Li 1.1187177 -0.1709711 0.0676247 -0.0808449 1.1385212 -0.0928911 0.0757790 -0.0437913 0.8594840 5 Li 1.2027259 -0.0000000 -0.0721957 -0.0000000 0.8191000 -0.0000000 -0.0626328 0.0000000 1.2498866 6 Li 1.0517155 -0.0000000 0.1662515 -0.0000000 1.0053898 -0.0000000 0.1572497 0.0000000 1.2047243 7 Li 1.0517155 -0.0000000 0.1662515 -0.0000000 1.0053898 -0.0000000 0.1572497 0.0000000 1.2047243 8 Li 1.2027259 -0.0000000 -0.0721957 -0.0000000 0.8191000 -0.0000000 -0.0626328 0.0000000 1.2498866 9 Zr 5.5160420 -1.0019312 -0.3501331 -0.7411390 5.1586594 -0.0578067 -0.7021653 -0.3024975 4.3182864 10 Zr 4.3071575 -0.0000000 -0.4562304 -0.0000000 5.8614211 -0.0000000 0.3390922 0.0000000 6.5226082 11 Zr 5.5160420 -1.0019312 -0.3501331 -0.7411390 5.1586594 -0.0578067 -0.7021653 -0.3024975 4.3182864 12 Zr 4.3071575 -0.0000000 -0.4562304 -0.0000000 5.8614211 -0.0000000 0.3390922 0.0000000 6.5226082 13 Zr 5.5160420 1.0019312 -0.3501331 0.7411390 5.1586594 0.0578067 -0.7021653 0.3024975 4.3182864 14 Zr 5.5160420 1.0019312 -0.3501331 0.7411390 5.1586594 0.0578067 -0.7021653 0.3024975 4.3182864 15 O -2.1214385 -1.1776067 0.9967398 -1.1773301 -3.3638352 1.3739661 0.9860835 1.3743193 -2.5729915 16 O -2.1214385 1.1776067 0.9967398 1.1773301 -3.3638352 -1.3739661 0.9860835 -1.3743193 -2.5729915 17 O -2.5380149 -0.6856092 0.1085844 -0.6812991 -2.7220501 0.7549429 0.1462911 0.8885905 -2.3977769 18 O -2.5380149 -0.6856092 0.1085844 -0.6812991 -2.7220501 0.7549429 0.1462911 0.8885905 -2.3977769 19 O -3.0680085 0.7232620 -0.1914938 0.6021837 -1.9176514 -0.2283930 -0.2416524 -0.1030736 -1.8765678 20 O -2.1880972 0.1049463 -0.4502348 0.0717414 -2.1365993 0.7081275 -0.4811905 0.7365722 -2.8190437 21 O -2.5380149 0.6856092 0.1085844 0.6812991 -2.7220501 -0.7549429 0.1462911 -0.8885905 -2.3977769 22 O -3.0680085 0.7232620 -0.1914938 0.6021837 -1.9176514 -0.2283930 -0.2416524 -0.1030736 -1.8765678 23 O -2.1880972 -0.1049463 -0.4502348 -0.0717414 -2.1365993 -0.7081275 -0.4811905 -0.7365722 -2.8190437 24 O -2.1880972 -0.1049463 -0.4502348 -0.0717414 -2.1365993 -0.7081275 -0.4811905 -0.7365722 -2.8190437 25 O -2.1880972 0.1049463 -0.4502348 0.0717414 -2.1365993 0.7081275 -0.4811905 0.7365722 -2.8190437 26 O -2.5380149 0.6856092 0.1085844 0.6812991 -2.7220501 -0.7549429 0.1462911 -0.8885905 -2.3977769 27 O -2.1214385 1.1776067 0.9967398 1.1773301 -3.3638352 -1.3739661 0.9860835 -1.3743193 -2.5729915 28 O -3.0680085 -0.7232620 -0.1914938 -0.6021837 -1.9176514 0.2283930 -0.2416524 0.1030736 -1.8765678 29 O -2.1214385 -1.1776067 0.9967398 -1.1773301 -3.3638352 1.3739661 0.9860835 1.3743193 -2.5729915 30 O -3.0680085 -0.7232620 -0.1914938 -0.6021837 -1.9176514 0.2283930 -0.2416524 0.1030736 -1.8765678 ---------------------------------------------------------------------------- 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 21, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 37, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 73, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) 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 2026-01-09 00:35:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:35:57]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.335962410202873 0.000000000000000 0.000000000000000 b 0.000000000000000 6.134694770000000 0.000000000000000 c -2.012016321232400 0.000000000000000 9.797065045436401 Atomic positions (fractional): 1 Li 0.26346699444490 0.62914699561481 0.49806577203501 6.941 2 Li 0.73653300555510 0.37085300438519 0.50193422796499 6.941 3 Li 0.73653300555510 0.62914699561481 0.00193422796499 6.941 4 Li 0.26346699444490 0.37085300438519 0.99806577203501 6.941 5 Li 0.50000000000000 0.16412762659025 0.25000000000000 6.941 6 Li 0.00000000000000 0.88461620703759 0.25000000000000 6.941 7 Li 0.00000000000000 0.11538379296241 0.75000000000000 6.941 8 Li 0.50000000000000 0.83587237340975 0.75000000000000 6.941 9 Zr 0.26816606711887 0.13853626885707 0.52430604506917 91.224 10 Zr 0.00000000000000 0.40049511709986 0.25000000000000 91.224 11 Zr 0.73183393288113 0.86146373114293 0.47569395493083 91.224 12 Zr 0.00000000000000 0.59950488290014 0.75000000000000 91.224 13 Zr 0.73183393288113 0.13853626885707 0.97569395493083 91.224 14 Zr 0.26816606711887 0.86146373114293 0.02430604506916 91.224 15 O 0.10540728357724 0.62773232368521 0.12643420353772 15.999 16 O 0.89459271642277 0.62773232368521 0.37356579646228 15.999 17 O 0.88546248715056 0.12994310217326 0.37831239275894 15.999 18 O 0.11453751284944 0.87005689782674 0.62168760724106 15.999 19 O 0.63353824395553 0.09931769369625 0.61288367481265 15.999 20 O 0.34708863163775 0.35998070319700 0.38465699399309 15.999 21 O 0.11453751284944 0.12994310217326 0.12168760724106 15.999 22 O 0.36646175604447 0.90068230630375 0.38711632518735 15.999 23 O 0.65291136836225 0.35998070319700 0.11534300600691 15.999 24 O 0.34708863163775 0.64001929680299 0.88465699399309 15.999 25 O 0.65291136836225 0.64001929680299 0.61534300600691 15.999 26 O 0.88546248715056 0.87005689782674 0.87831239275894 15.999 27 O 0.10540728357724 0.37226767631479 0.62643420353772 15.999 28 O 0.36646175604447 0.09931769369625 0.88711632518735 15.999 29 O 0.89459271642277 0.37226767631479 0.87356579646228 15.999 30 O 0.63353824395553 0.90068230630375 0.11288367481265 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.671924820405746 0.000000000000000 0.000000000000000 b 0.000000000000000 12.269389540000001 0.000000000000000 c -2.012016321232400 0.000000000000000 9.797065045436401 Atomic positions (fractional): 1 Li 0.13173349722245 0.31457349780741 0.49806577203501 6.941 > 1 2 Li 0.63173349722245 0.31457349780741 0.49806577203501 6.941 > 1 3 Li 0.13173349722245 0.81457349780741 0.49806577203501 6.941 > 1 4 Li 0.63173349722245 0.81457349780741 0.49806577203501 6.941 > 1 5 Li 0.36826650277755 0.18542650219259 0.50193422796499 6.941 > 5 6 Li 0.86826650277755 0.18542650219259 0.50193422796499 6.941 > 5 7 Li 0.36826650277755 0.68542650219259 0.50193422796499 6.941 > 5 8 Li 0.86826650277755 0.68542650219259 0.50193422796499 6.941 > 5 9 Li 0.36826650277755 0.31457349780741 0.00193422796499 6.941 > 9 10 Li 0.86826650277755 0.31457349780741 0.00193422796499 6.941 > 9 11 Li 0.36826650277755 0.81457349780741 0.00193422796499 6.941 > 9 12 Li 0.86826650277755 0.81457349780741 0.00193422796499 6.941 > 9 13 Li 0.13173349722245 0.18542650219259 0.99806577203501 6.941 > 13 14 Li 0.63173349722245 0.18542650219259 0.99806577203501 6.941 > 13 15 Li 0.13173349722245 0.68542650219259 0.99806577203501 6.941 > 13 16 Li 0.63173349722245 0.68542650219259 0.99806577203501 6.941 > 13 17 Li 0.25000000000000 0.08206381329512 0.25000000000000 6.941 > 17 18 Li 0.75000000000000 0.08206381329512 0.25000000000000 6.941 > 17 19 Li 0.25000000000000 0.58206381329512 0.25000000000000 6.941 > 17 20 Li 0.75000000000000 0.58206381329512 0.25000000000000 6.941 > 17 21 Li 0.00000000000000 0.44230810351880 0.25000000000000 6.941 > 21 22 Li 0.50000000000000 0.44230810351880 0.25000000000000 6.941 > 21 23 Li 0.00000000000000 0.94230810351880 0.25000000000000 6.941 > 21 24 Li 0.50000000000000 0.94230810351880 0.25000000000000 6.941 > 21 25 Li 0.00000000000000 0.05769189648120 0.75000000000000 6.941 > 25 26 Li 0.50000000000000 0.05769189648120 0.75000000000000 6.941 > 25 27 Li 0.00000000000000 0.55769189648120 0.75000000000000 6.941 > 25 28 Li 0.50000000000000 0.55769189648120 0.75000000000000 6.941 > 25 29 Li 0.25000000000000 0.41793618670488 0.75000000000000 6.941 > 29 30 Li 0.75000000000000 0.41793618670488 0.75000000000000 6.941 > 29 31 Li 0.25000000000000 0.91793618670488 0.75000000000000 6.941 > 29 32 Li 0.75000000000000 0.91793618670488 0.75000000000000 6.941 > 29 33 Zr 0.13408303355944 0.06926813442853 0.52430604506917 91.224 > 33 34 Zr 0.63408303355944 0.06926813442853 0.52430604506917 91.224 > 33 35 Zr 0.13408303355944 0.56926813442853 0.52430604506917 91.224 > 33 36 Zr 0.63408303355944 0.56926813442853 0.52430604506917 91.224 > 33 37 Zr 0.00000000000000 0.20024755854993 0.25000000000000 91.224 > 37 38 Zr 0.50000000000000 0.20024755854993 0.25000000000000 91.224 > 37 39 Zr 0.00000000000000 0.70024755854993 0.25000000000000 91.224 > 37 40 Zr 0.50000000000000 0.70024755854993 0.25000000000000 91.224 > 37 41 Zr 0.36591696644056 0.43073186557147 0.47569395493083 91.224 > 41 42 Zr 0.86591696644056 0.43073186557147 0.47569395493083 91.224 > 41 43 Zr 0.36591696644056 0.93073186557147 0.47569395493083 91.224 > 41 44 Zr 0.86591696644056 0.93073186557147 0.47569395493083 91.224 > 41 45 Zr 0.00000000000000 0.29975244145007 0.75000000000000 91.224 > 45 46 Zr 0.50000000000000 0.29975244145007 0.75000000000000 91.224 > 45 47 Zr 0.00000000000000 0.79975244145007 0.75000000000000 91.224 > 45 48 Zr 0.50000000000000 0.79975244145007 0.75000000000000 91.224 > 45 49 Zr 0.36591696644056 0.06926813442853 0.97569395493083 91.224 > 49 50 Zr 0.86591696644056 0.06926813442853 0.97569395493083 91.224 > 49 51 Zr 0.36591696644056 0.56926813442853 0.97569395493083 91.224 > 49 52 Zr 0.86591696644056 0.56926813442853 0.97569395493083 91.224 > 49 53 Zr 0.13408303355944 0.43073186557147 0.02430604506916 91.224 > 53 54 Zr 0.63408303355944 0.43073186557147 0.02430604506916 91.224 > 53 55 Zr 0.13408303355944 0.93073186557147 0.02430604506916 91.224 > 53 56 Zr 0.63408303355944 0.93073186557147 0.02430604506916 91.224 > 53 57 O 0.05270364178862 0.31386616184261 0.12643420353772 15.999 > 57 58 O 0.55270364178862 0.31386616184261 0.12643420353772 15.999 > 57 59 O 0.05270364178862 0.81386616184261 0.12643420353772 15.999 > 57 60 O 0.55270364178862 0.81386616184261 0.12643420353772 15.999 > 57 61 O 0.44729635821138 0.31386616184261 0.37356579646228 15.999 > 61 62 O 0.94729635821138 0.31386616184261 0.37356579646228 15.999 > 61 63 O 0.44729635821138 0.81386616184261 0.37356579646228 15.999 > 61 64 O 0.94729635821138 0.81386616184261 0.37356579646228 15.999 > 61 65 O 0.44273124357528 0.06497155108663 0.37831239275894 15.999 > 65 66 O 0.94273124357528 0.06497155108663 0.37831239275894 15.999 > 65 67 O 0.44273124357528 0.56497155108663 0.37831239275894 15.999 > 65 68 O 0.94273124357528 0.56497155108663 0.37831239275894 15.999 > 65 69 O 0.05726875642472 0.43502844891337 0.62168760724106 15.999 > 69 70 O 0.55726875642472 0.43502844891337 0.62168760724106 15.999 > 69 71 O 0.05726875642472 0.93502844891337 0.62168760724106 15.999 > 69 72 O 0.55726875642472 0.93502844891337 0.62168760724106 15.999 > 69 73 O 0.31676912197777 0.04965884684812 0.61288367481265 15.999 > 73 74 O 0.81676912197777 0.04965884684812 0.61288367481265 15.999 > 73 75 O 0.31676912197777 0.54965884684812 0.61288367481265 15.999 > 73 76 O 0.81676912197777 0.54965884684812 0.61288367481265 15.999 > 73 77 O 0.17354431581887 0.17999035159850 0.38465699399309 15.999 > 77 78 O 0.67354431581887 0.17999035159850 0.38465699399309 15.999 > 77 79 O 0.17354431581887 0.67999035159850 0.38465699399309 15.999 > 77 80 O 0.67354431581887 0.67999035159850 0.38465699399309 15.999 > 77 81 O 0.05726875642472 0.06497155108663 0.12168760724106 15.999 > 81 82 O 0.55726875642472 0.06497155108663 0.12168760724106 15.999 > 81 83 O 0.05726875642472 0.56497155108663 0.12168760724106 15.999 > 81 84 O 0.55726875642472 0.56497155108663 0.12168760724106 15.999 > 81 85 O 0.18323087802224 0.45034115315188 0.38711632518735 15.999 > 85 86 O 0.68323087802224 0.45034115315188 0.38711632518735 15.999 > 85 87 O 0.18323087802224 0.95034115315188 0.38711632518735 15.999 > 85 88 O 0.68323087802224 0.95034115315188 0.38711632518735 15.999 > 85 89 O 0.32645568418113 0.17999035159850 0.11534300600691 15.999 > 89 90 O 0.82645568418113 0.17999035159850 0.11534300600691 15.999 > 89 91 O 0.32645568418113 0.67999035159850 0.11534300600691 15.999 > 89 92 O 0.82645568418113 0.67999035159850 0.11534300600691 15.999 > 89 93 O 0.17354431581887 0.32000964840150 0.88465699399309 15.999 > 93 94 O 0.67354431581887 0.32000964840150 0.88465699399309 15.999 > 93 95 O 0.17354431581887 0.82000964840150 0.88465699399309 15.999 > 93 96 O 0.67354431581887 0.82000964840150 0.88465699399309 15.999 > 93 97 O 0.32645568418113 0.32000964840150 0.61534300600691 15.999 > 97 98 O 0.82645568418113 0.32000964840150 0.61534300600691 15.999 > 97 99 O 0.32645568418113 0.82000964840150 0.61534300600691 15.999 > 97 100 O 0.82645568418113 0.82000964840150 0.61534300600691 15.999 > 97 101 O 0.44273124357528 0.43502844891337 0.87831239275894 15.999 > 101 102 O 0.94273124357528 0.43502844891337 0.87831239275894 15.999 > 101 103 O 0.44273124357528 0.93502844891337 0.87831239275894 15.999 > 101 104 O 0.94273124357528 0.93502844891337 0.87831239275894 15.999 > 101 105 O 0.05270364178862 0.18613383815740 0.62643420353772 15.999 > 105 106 O 0.55270364178862 0.18613383815740 0.62643420353772 15.999 > 105 107 O 0.05270364178862 0.68613383815740 0.62643420353772 15.999 > 105 108 O 0.55270364178862 0.68613383815740 0.62643420353772 15.999 > 105 109 O 0.18323087802224 0.04965884684812 0.88711632518735 15.999 > 109 110 O 0.68323087802224 0.04965884684812 0.88711632518735 15.999 > 109 111 O 0.18323087802224 0.54965884684812 0.88711632518735 15.999 > 109 112 O 0.68323087802224 0.54965884684812 0.88711632518735 15.999 > 109 113 O 0.44729635821138 0.18613383815740 0.87356579646228 15.999 > 113 114 O 0.94729635821138 0.18613383815740 0.87356579646228 15.999 > 113 115 O 0.44729635821138 0.68613383815740 0.87356579646228 15.999 > 113 116 O 0.94729635821138 0.68613383815740 0.87356579646228 15.999 > 113 117 O 0.31676912197777 0.45034115315188 0.11288367481265 15.999 > 117 118 O 0.81676912197777 0.45034115315188 0.11288367481265 15.999 > 117 119 O 0.31676912197777 0.95034115315188 0.11288367481265 15.999 > 117 120 O 0.81676912197777 0.95034115315188 0.11288367481265 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3344823 0.0000000 -0.1331989 0.0000000 4.3805644 0.0000000 -0.1332048 0.0000000 4.2561485 -------------------------- Born effective charges -------------------------- 1 Li 1.1187177 0.1709711 0.0676247 0.0808449 1.1385212 0.0928911 0.0757790 0.0437913 0.8594840 2 Li 1.1187177 0.1709711 0.0676247 0.0808449 1.1385212 0.0928911 0.0757790 0.0437913 0.8594840 3 Li 1.1187177 -0.1709711 0.0676247 -0.0808449 1.1385212 -0.0928911 0.0757790 -0.0437913 0.8594840 4 Li 1.1187177 -0.1709711 0.0676247 -0.0808449 1.1385212 -0.0928911 0.0757790 -0.0437913 0.8594840 5 Li 1.2027259 -0.0000000 -0.0721957 -0.0000000 0.8191000 -0.0000000 -0.0626328 0.0000000 1.2498866 6 Li 1.0517155 -0.0000000 0.1662515 -0.0000000 1.0053898 -0.0000000 0.1572497 0.0000000 1.2047243 7 Li 1.0517155 -0.0000000 0.1662515 -0.0000000 1.0053898 -0.0000000 0.1572497 0.0000000 1.2047243 8 Li 1.2027259 -0.0000000 -0.0721957 -0.0000000 0.8191000 -0.0000000 -0.0626328 0.0000000 1.2498866 9 Zr 5.5160420 -1.0019312 -0.3501331 -0.7411390 5.1586594 -0.0578067 -0.7021653 -0.3024975 4.3182864 10 Zr 4.3071575 -0.0000000 -0.4562304 -0.0000000 5.8614211 -0.0000000 0.3390922 0.0000000 6.5226082 11 Zr 5.5160420 -1.0019312 -0.3501331 -0.7411390 5.1586594 -0.0578067 -0.7021653 -0.3024975 4.3182864 12 Zr 4.3071575 -0.0000000 -0.4562304 -0.0000000 5.8614211 -0.0000000 0.3390922 0.0000000 6.5226082 13 Zr 5.5160420 1.0019312 -0.3501331 0.7411390 5.1586594 0.0578067 -0.7021653 0.3024975 4.3182864 14 Zr 5.5160420 1.0019312 -0.3501331 0.7411390 5.1586594 0.0578067 -0.7021653 0.3024975 4.3182864 15 O -2.1214385 -1.1776067 0.9967398 -1.1773301 -3.3638352 1.3739661 0.9860835 1.3743193 -2.5729915 16 O -2.1214385 1.1776067 0.9967398 1.1773301 -3.3638352 -1.3739661 0.9860835 -1.3743193 -2.5729915 17 O -2.5380149 -0.6856092 0.1085844 -0.6812991 -2.7220501 0.7549429 0.1462911 0.8885905 -2.3977769 18 O -2.5380149 -0.6856092 0.1085844 -0.6812991 -2.7220501 0.7549429 0.1462911 0.8885905 -2.3977769 19 O -3.0680085 0.7232620 -0.1914938 0.6021837 -1.9176514 -0.2283930 -0.2416524 -0.1030736 -1.8765678 20 O -2.1880972 0.1049463 -0.4502348 0.0717414 -2.1365993 0.7081275 -0.4811905 0.7365722 -2.8190437 21 O -2.5380149 0.6856092 0.1085844 0.6812991 -2.7220501 -0.7549429 0.1462911 -0.8885905 -2.3977769 22 O -3.0680085 0.7232620 -0.1914938 0.6021837 -1.9176514 -0.2283930 -0.2416524 -0.1030736 -1.8765678 23 O -2.1880972 -0.1049463 -0.4502348 -0.0717414 -2.1365993 -0.7081275 -0.4811905 -0.7365722 -2.8190437 24 O -2.1880972 -0.1049463 -0.4502348 -0.0717414 -2.1365993 -0.7081275 -0.4811905 -0.7365722 -2.8190437 25 O -2.1880972 0.1049463 -0.4502348 0.0717414 -2.1365993 0.7081275 -0.4811905 0.7365722 -2.8190437 26 O -2.5380149 0.6856092 0.1085844 0.6812991 -2.7220501 -0.7549429 0.1462911 -0.8885905 -2.3977769 27 O -2.1214385 1.1776067 0.9967398 1.1773301 -3.3638352 -1.3739661 0.9860835 -1.3743193 -2.5729915 28 O -3.0680085 -0.7232620 -0.1914938 -0.6021837 -1.9176514 0.2283930 -0.2416524 0.1030736 -1.8765678 29 O -2.1214385 -1.1776067 0.9967398 -1.1773301 -3.3638352 1.3739661 0.9860835 1.3743193 -2.5729915 30 O -3.0680085 -0.7232620 -0.1914938 -0.6021837 -1.9176514 0.2283930 -0.2416524 0.1030736 -1.8765678 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 8 5 ] 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: 0.61, Number of G-points: 305, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/130) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 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 2.637 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.418 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.242 ( 0.000 0.000 0.000) 0.000 6.365 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 6.978 ( 0.000 0.000 0.000) 0.000 7.369 ( 0.000 0.000 0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.194 ( 0.000 0.000 0.000) 0.000 8.327 ( 0.000 0.000 0.000) 0.000 8.342 ( 0.000 0.000 0.000) 0.000 8.403 ( 0.000 0.000 0.000) 0.000 8.420 ( 0.000 0.000 0.000) 0.000 8.498 ( 0.000 0.000 0.000) 0.000 8.636 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.246 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 9.347 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.520 ( 0.000 0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 10.075 ( 0.000 0.000 0.000) 0.000 10.268 ( 0.000 0.000 0.000) 0.000 10.441 ( 0.000 0.000 0.000) 0.000 10.796 ( 0.000 0.000 0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 10.988 ( 0.000 0.000 0.000) 0.000 11.151 ( 0.000 0.000 0.000) 0.000 11.192 ( 0.000 0.000 0.000) 0.000 11.528 ( 0.000 0.000 0.000) 0.000 11.658 ( 0.000 0.000 0.000) 0.000 11.730 ( 0.000 0.000 0.000) 0.000 11.739 ( 0.000 0.000 0.000) 0.000 11.828 ( 0.000 0.000 0.000) 0.000 11.922 ( 0.000 0.000 0.000) 0.000 12.225 ( 0.000 0.000 0.000) 0.000 12.515 ( 0.000 0.000 0.000) 0.000 12.625 ( 0.000 0.000 0.000) 0.000 12.743 ( 0.000 0.000 0.000) 0.000 13.223 ( 0.000 0.000 0.000) 0.000 13.308 ( 0.000 0.000 0.000) 0.000 13.473 ( 0.000 0.000 0.000) 0.000 13.503 ( 0.000 0.000 0.000) 0.000 13.577 ( 0.000 0.000 0.000) 0.000 13.635 ( 0.000 0.000 0.000) 0.000 13.916 ( 0.000 0.000 0.000) 0.000 14.289 ( 0.000 0.000 0.000) 0.000 14.348 ( 0.000 0.000 0.000) 0.000 14.612 ( 0.000 0.000 0.000) 0.000 15.302 ( 0.000 0.000 0.000) 0.000 15.481 ( 0.000 0.000 0.000) 0.000 15.670 ( 0.000 0.000 0.000) 0.000 16.004 ( 0.000 0.000 0.000) 0.000 16.184 ( 0.000 0.000 0.000) 0.000 16.385 ( 0.000 0.000 0.000) 0.000 16.431 ( 0.000 0.000 0.000) 0.000 17.465 ( 0.000 0.000 0.000) 0.000 17.924 ( 0.000 0.000 0.000) 0.000 17.966 ( 0.000 0.000 0.000) 0.000 18.228 ( 0.000 0.000 0.000) 0.000 19.524 ( 0.000 0.000 0.000) 0.000 20.658 ( 0.000 0.000 0.000) 0.000 22.117 ( 0.000 0.000 0.000) 0.000 22.670 ( 0.000 0.000 0.000) 0.000 23.473 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/130) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 29.150 0.000 5.007) 29.577 0.703 ( 36.047 0.000 4.075) 36.276 1.236 ( 64.426 0.000 -1.738) 64.450 2.646 ( -0.133 0.000 6.377) 6.378 2.843 ( 2.380 0.000 -2.717) 3.612 3.059 ( -0.458 0.000 -11.623) 11.632 3.716 ( -3.129 0.000 6.585) 7.290 4.479 ( -5.882 0.000 17.204) 18.181 4.600 ( 8.668 0.000 -2.559) 9.038 4.878 ( 15.230 0.000 -7.841) 17.130 4.945 ( 4.392 0.000 -24.578) 24.967 5.162 ( -1.190 0.000 3.022) 3.248 5.331 ( 1.914 0.000 -1.148) 2.232 5.400 ( -3.156 0.000 7.485) 8.123 5.722 ( 1.721 0.000 -8.206) 8.384 5.769 ( -4.402 0.000 -9.496) 10.467 5.778 ( -1.502 0.000 4.607) 4.846 5.927 ( 2.513 0.000 -8.373) 8.742 5.999 ( -3.538 0.000 1.581) 3.875 6.288 ( -6.371 0.000 -0.104) 6.371 6.330 ( 6.949 0.000 1.470) 7.103 6.332 ( -7.920 0.000 -2.504) 8.306 6.582 ( 1.187 0.000 -0.123) 1.194 6.585 ( 0.424 0.000 1.213) 1.285 6.841 ( -0.130 0.000 -2.628) 2.631 7.020 ( 3.360 0.000 1.441) 3.656 7.083 ( 11.450 0.000 3.689) 12.030 7.362 ( -1.546 0.000 2.393) 2.849 7.526 ( 0.088 0.000 -0.549) 0.556 7.974 ( -2.548 0.000 0.493) 2.595 8.097 ( -7.837 0.000 -2.896) 8.355 8.187 ( 1.703 0.000 -17.354) 17.438 8.269 ( -6.635 0.000 6.183) 9.069 8.324 ( -1.230 0.000 -3.880) 4.071 8.457 ( 5.562 0.000 -4.789) 7.340 8.498 ( -0.149 0.000 1.479) 1.486 8.697 ( 5.778 0.000 -1.806) 6.053 8.959 ( -4.279 0.000 -2.941) 5.192 9.009 ( -1.315 0.000 -6.269) 6.406 9.168 ( 4.369 0.000 5.468) 7.000 9.196 ( -5.919 0.000 2.174) 6.306 9.291 ( -5.540 0.000 1.347) 5.702 9.336 ( -9.416 0.000 3.143) 9.926 9.521 ( 0.038 0.000 -3.515) 3.515 9.753 ( 4.907 0.000 -4.719) 6.808 10.055 ( -1.989 0.000 2.102) 2.894 10.097 ( -0.275 0.000 9.567) 9.571 10.317 ( -4.633 0.000 8.185) 9.406 10.459 ( 2.200 0.000 1.400) 2.608 10.636 ( -13.269 0.000 0.960) 13.304 10.856 ( 0.243 0.000 3.068) 3.078 10.996 ( -4.574 0.000 -2.879) 5.405 11.147 ( 0.236 0.000 -3.661) 3.669 11.417 ( -9.534 0.000 1.143) 9.602 11.572 ( -2.517 0.000 16.319) 16.512 11.699 ( -9.909 0.000 -4.774) 11.000 11.741 ( 5.329 0.000 0.326) 5.339 11.811 ( 5.391 0.000 -1.852) 5.701 11.936 ( 2.133 0.000 -0.131) 2.137 12.137 ( -10.858 0.000 1.658) 10.984 12.466 ( 0.078 0.000 -0.804) 0.808 12.609 ( 1.393 0.000 -0.689) 1.554 12.858 ( 8.674 0.000 5.039) 10.031 12.886 ( -15.286 0.000 35.461) 38.615 13.296 ( -17.174 0.000 -5.006) 17.889 13.309 ( 5.429 0.000 -7.621) 9.357 13.484 ( 1.343 0.000 -1.278) 1.854 13.627 ( 3.892 0.000 0.278) 3.902 13.636 ( 1.854 0.000 2.468) 3.087 14.029 ( 6.456 0.000 -2.276) 6.845 14.249 ( 0.737 0.000 -3.287) 3.369 14.362 ( -0.839 0.000 5.587) 5.649 14.593 ( 0.238 0.000 -8.249) 8.253 14.720 ( 10.311 0.000 -37.021) 38.430 15.487 ( 0.616 0.000 0.091) 0.623 15.740 ( 6.939 0.000 0.503) 6.958 15.822 ( -8.733 0.000 -7.934) 11.799 16.036 ( -11.657 0.000 61.180) 62.280 16.238 ( -1.500 0.000 16.113) 16.183 16.355 ( -7.307 0.000 -2.025) 7.583 16.468 ( 7.715 0.000 0.450) 7.728 17.828 ( -3.815 0.000 -11.081) 11.720 18.014 ( 0.203 0.000 5.923) 5.927 18.233 ( 0.718 0.000 -0.729) 1.023 19.572 ( 4.464 0.000 -0.796) 4.535 20.704 ( 3.871 0.000 4.232) 5.736 22.064 ( -5.960 0.000 4.317) 7.359 22.143 ( 15.546 0.000 -93.212) 94.499 22.654 ( -1.921 0.000 1.554) 2.470 23.487 ( 0.758 0.000 2.679) 2.784 ======================= Grid point 2 (3/130) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 28.805 0.000 6.467) 29.522 1.372 ( 33.426 0.000 4.093) 33.675 2.359 ( 54.301 0.000 -0.668) 54.305 2.656 ( -2.851 0.000 5.200) 5.930 2.924 ( 8.315 0.000 -2.412) 8.658 3.047 ( 7.311 0.000 -14.716) 16.432 3.664 ( -5.925 0.000 10.657) 12.193 4.439 ( -5.685 0.000 20.087) 20.876 4.828 ( 13.363 0.000 -2.685) 13.630 4.938 ( 3.325 0.000 -15.672) 16.020 5.117 ( 12.044 0.000 -6.010) 13.460 5.130 ( -3.179 0.000 -1.002) 3.333 5.361 ( 1.035 0.000 -1.083) 1.498 5.377 ( -2.695 0.000 11.678) 11.985 5.585 ( -11.022 0.000 -0.257) 11.025 5.663 ( -5.680 0.000 -9.302) 10.899 5.796 ( 2.726 0.000 -0.899) 2.870 5.898 ( -5.395 0.000 -0.855) 5.463 5.979 ( 4.859 0.000 -6.763) 8.327 6.187 ( -3.454 0.000 -0.830) 3.552 6.275 ( 3.358 0.000 -1.318) 3.608 6.460 ( 6.005 0.000 -0.495) 6.025 6.610 ( 1.967 0.000 0.723) 2.096 6.617 ( 2.351 0.000 3.289) 4.043 6.832 ( 0.477 0.000 -2.699) 2.740 7.075 ( 0.726 0.000 2.341) 2.451 7.267 ( 6.447 0.000 2.111) 6.784 7.314 ( -5.341 0.000 4.242) 6.821 7.535 ( 1.027 0.000 -2.465) 2.670 7.922 ( -8.913 0.000 -2.054) 9.146 7.923 ( -2.574 0.000 0.167) 2.579 8.131 ( -3.477 0.000 -3.800) 5.151 8.165 ( -6.415 0.000 5.660) 8.555 8.266 ( -2.608 0.000 -5.298) 5.905 8.505 ( 0.147 0.000 1.274) 1.283 8.533 ( 3.743 0.000 -4.041) 5.508 8.805 ( 6.283 0.000 -4.653) 7.818 8.835 ( -6.791 0.000 -3.021) 7.433 8.954 ( -2.693 0.000 -1.509) 3.086 9.072 ( -6.720 0.000 1.698) 6.931 9.175 ( -5.789 0.000 -1.080) 5.888 9.203 ( -6.736 0.000 2.788) 7.290 9.282 ( 5.591 0.000 2.623) 6.176 9.482 ( -1.986 0.000 -4.846) 5.237 9.778 ( -0.447 0.000 -4.154) 4.178 10.013 ( -10.980 0.000 0.416) 10.988 10.033 ( -1.786 0.000 4.603) 4.938 10.340 ( 3.954 0.000 9.549) 10.335 10.390 ( -13.145 0.000 1.856) 13.276 10.542 ( 4.520 0.000 4.322) 6.254 10.846 ( -8.450 0.000 -3.508) 9.149 10.862 ( -0.414 0.000 0.926) 1.014 11.131 ( -0.260 0.000 -4.404) 4.412 11.200 ( -12.631 0.000 -0.846) 12.660 11.506 ( -8.014 0.000 -6.260) 10.169 11.599 ( -0.945 0.000 12.724) 12.759 11.706 ( -14.800 0.000 5.315) 15.726 11.851 ( -1.398 0.000 4.173) 4.401 11.995 ( 2.425 0.000 0.609) 2.500 12.013 ( 5.597 0.000 -4.606) 7.249 12.454 ( -1.201 0.000 -0.572) 1.330 12.668 ( 2.046 0.000 0.609) 2.134 12.757 ( -8.572 0.000 15.852) 18.021 12.894 ( -18.957 0.000 -6.604) 20.074 13.061 ( 8.288 0.000 6.275) 10.395 13.299 ( -0.125 0.000 -18.689) 18.689 13.493 ( 1.859 0.000 -4.190) 4.584 13.644 ( -3.656 0.000 -1.536) 3.965 13.781 ( 9.714 0.000 7.981) 12.572 14.058 ( 1.157 0.000 0.748) 1.378 14.360 ( -0.490 0.000 6.035) 6.055 14.375 ( 10.423 0.000 -7.514) 12.849 14.565 ( -0.495 0.000 -5.157) 5.181 14.763 ( 3.506 0.000 -10.397) 10.972 15.504 ( 0.742 0.000 1.453) 1.631 15.623 ( -9.169 0.000 -4.713) 10.309 15.915 ( 11.206 0.000 0.177) 11.208 16.042 ( -7.245 0.000 34.512) 35.264 16.168 ( -10.672 0.000 -2.865) 11.050 16.271 ( 0.276 0.000 7.511) 7.516 16.632 ( 8.431 0.000 2.144) 8.699 17.730 ( -1.452 0.000 -13.117) 13.197 18.001 ( -3.989 0.000 5.471) 6.771 18.250 ( 1.435 0.000 -1.347) 1.968 19.642 ( 2.628 0.000 -2.274) 3.475 20.828 ( 6.904 0.000 6.882) 9.748 21.957 ( -7.066 0.000 7.494) 10.300 22.044 ( 3.072 0.000 -48.503) 48.601 22.612 ( -3.302 0.000 2.527) 4.158 23.512 ( 0.258 0.000 4.134) 4.142 ======================= Grid point 3 (4/130) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 25.313 0.000 6.473) 26.128 1.972 ( 27.766 0.000 5.271) 28.262 2.576 ( -3.587 0.000 -5.173) 6.295 3.054 ( 16.151 0.000 2.677) 16.372 3.236 ( 15.659 0.000 -8.804) 17.964 3.306 ( 35.093 0.000 -3.132) 35.232 3.582 ( -6.858 0.000 12.480) 14.240 4.402 ( -6.743 0.000 19.633) 20.758 4.911 ( -4.617 0.000 -8.545) 9.713 4.947 ( -2.929 0.000 0.590) 2.988 5.035 ( -3.452 0.000 -9.448) 10.059 5.277 ( 6.475 0.000 -6.687) 9.308 5.296 ( -6.330 0.000 -4.192) 7.593 5.396 ( -0.507 0.000 10.073) 10.086 5.475 ( -6.036 0.000 -3.481) 6.968 5.488 ( 3.039 0.000 0.729) 3.125 5.871 ( 2.321 0.000 -3.631) 4.310 5.873 ( 5.674 0.000 -1.876) 5.976 6.034 ( 2.526 0.000 -1.814) 3.110 6.163 ( 1.445 0.000 -1.075) 1.801 6.399 ( 8.855 0.000 -1.201) 8.936 6.551 ( 4.342 0.000 -0.975) 4.450 6.670 ( 4.144 0.000 1.616) 4.448 6.683 ( 2.551 0.000 3.584) 4.399 6.844 ( 1.630 0.000 -1.692) 2.350 7.052 ( -3.440 0.000 1.713) 3.843 7.192 ( -9.221 0.000 4.992) 10.486 7.375 ( 5.430 0.000 0.476) 5.451 7.493 ( -4.351 0.000 -7.142) 8.363 7.772 ( -7.201 0.000 2.514) 7.627 7.891 ( -0.684 0.000 -0.282) 0.739 8.026 ( -6.626 0.000 0.090) 6.627 8.083 ( -4.035 0.000 3.208) 5.154 8.214 ( -0.439 0.000 -4.183) 4.206 8.503 ( -0.782 0.000 -0.338) 0.852 8.552 ( -0.176 0.000 -2.990) 2.996 8.725 ( -4.120 0.000 2.900) 5.038 8.842 ( -1.428 0.000 -3.370) 3.660 8.919 ( -1.714 0.000 4.277) 4.608 8.962 ( -5.723 0.000 -1.608) 5.945 9.095 ( -5.145 0.000 0.768) 5.202 9.125 ( 3.053 0.000 -6.385) 7.077 9.377 ( 2.414 0.000 -2.742) 3.654 9.455 ( 3.298 0.000 -1.476) 3.614 9.655 ( -12.346 0.000 -2.603) 12.617 9.841 ( -3.540 0.000 -3.529) 4.999 10.014 ( -2.217 0.000 4.282) 4.822 10.153 ( -12.909 0.000 2.733) 13.195 10.466 ( 3.684 0.000 9.996) 10.653 10.567 ( -6.098 0.000 4.999) 7.886 10.712 ( -3.296 0.000 -1.925) 3.817 10.822 ( -4.711 0.000 -6.109) 7.715 11.056 ( -0.816 0.000 4.264) 4.341 11.102 ( -1.154 0.000 -4.011) 4.174 11.268 ( -14.456 0.000 -3.956) 14.987 11.490 ( -6.093 0.000 3.116) 6.844 11.629 ( -0.223 0.000 8.562) 8.564 11.815 ( -3.835 0.000 4.754) 6.108 12.064 ( 1.588 0.000 -4.681) 4.943 12.103 ( 5.518 0.000 1.698) 5.773 12.403 ( -20.847 0.000 -6.574) 21.859 12.419 ( -1.998 0.000 -1.087) 2.274 12.689 ( -4.037 0.000 8.802) 9.683 12.792 ( 1.917 0.000 3.728) 4.192 13.209 ( -1.673 0.000 -14.786) 14.880 13.252 ( 8.964 0.000 4.903) 10.217 13.515 ( -6.923 0.000 -0.701) 6.958 13.546 ( 5.832 0.000 -7.155) 9.231 14.000 ( 9.748 0.000 6.913) 11.950 14.098 ( 1.225 0.000 -1.606) 2.019 14.374 ( 0.783 0.000 3.279) 3.371 14.530 ( 7.916 0.000 -5.908) 9.878 14.533 ( -1.242 0.000 -3.655) 3.861 14.755 ( -2.063 0.000 -1.743) 2.701 15.463 ( -6.081 0.000 -2.208) 6.469 15.526 ( 0.655 0.000 3.475) 3.536 15.954 ( -8.392 0.000 -6.741) 10.764 16.034 ( -4.397 0.000 18.835) 19.342 16.160 ( 12.570 0.000 3.291) 12.994 16.304 ( 0.317 0.000 6.172) 6.180 16.783 ( 6.467 0.000 2.564) 6.957 17.673 ( 0.834 0.000 -14.508) 14.532 17.910 ( -8.095 0.000 7.325) 10.917 18.274 ( 1.688 0.000 -1.483) 2.246 19.636 ( -1.899 0.000 -3.152) 3.680 21.007 ( 8.287 0.000 10.639) 13.486 21.879 ( -4.271 0.000 7.941) 9.017 21.889 ( -2.553 0.000 -33.812) 33.908 22.556 ( -3.544 0.000 2.527) 4.353 23.525 ( -0.487 0.000 3.859) 3.890 ======================= Grid point 4 (5/130) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 16.255 0.000 3.994) 16.739 2.331 ( 4.012 0.000 5.197) 6.565 2.621 ( 14.500 0.000 -7.536) 16.342 3.303 ( 7.019 0.000 0.075) 7.020 3.474 ( 10.389 0.000 -6.033) 12.014 3.536 ( 2.287 0.000 10.683) 10.925 3.824 ( 17.322 0.000 1.903) 17.426 4.362 ( -2.627 0.000 14.306) 14.546 4.668 ( -14.176 0.000 -9.133) 16.863 4.753 ( -15.418 0.000 1.681) 15.510 4.924 ( -6.141 0.000 -2.296) 6.556 5.234 ( 0.867 0.000 -4.549) 4.631 5.255 ( -4.096 0.000 -0.857) 4.185 5.359 ( 0.943 0.000 -2.579) 2.746 5.604 ( 10.234 0.000 1.901) 10.409 5.634 ( 11.993 0.000 -8.389) 14.636 5.873 ( -2.153 0.000 -0.853) 2.316 5.972 ( 5.185 0.000 -2.336) 5.687 6.060 ( -0.348 0.000 5.716) 5.727 6.214 ( 2.950 0.000 0.139) 2.953 6.541 ( 5.630 0.000 -1.876) 5.935 6.613 ( 2.099 0.000 1.448) 2.550 6.733 ( 1.718 0.000 1.223) 2.109 6.783 ( 6.456 0.000 1.807) 6.704 6.870 ( 1.506 0.000 -0.982) 1.798 7.002 ( -1.167 0.000 2.236) 2.522 7.029 ( -8.993 0.000 3.373) 9.605 7.334 ( -7.789 0.000 -8.742) 11.708 7.485 ( 5.396 0.000 0.395) 5.410 7.661 ( -5.691 0.000 2.716) 6.306 7.885 ( -0.446 0.000 -1.181) 1.263 7.915 ( -4.197 0.000 1.389) 4.421 8.035 ( -2.276 0.000 1.541) 2.749 8.225 ( 2.606 0.000 -1.782) 3.157 8.469 ( -2.415 0.000 -1.298) 2.742 8.528 ( -0.625 0.000 -2.356) 2.438 8.704 ( -1.269 0.000 8.875) 8.966 8.771 ( -4.697 0.000 2.148) 5.165 8.838 ( -4.944 0.000 -6.850) 8.448 8.916 ( 0.557 0.000 0.700) 0.894 9.027 ( -2.336 0.000 -0.271) 2.351 9.184 ( 3.253 0.000 -3.512) 4.787 9.360 ( -0.921 0.000 -2.412) 2.582 9.409 ( -10.486 0.000 -1.502) 10.593 9.607 ( 11.716 0.000 -3.621) 12.263 9.803 ( -0.057 0.000 -3.779) 3.779 9.952 ( -9.015 0.000 3.385) 9.630 9.988 ( -1.713 0.000 2.415) 2.961 10.373 ( -13.709 0.000 2.370) 13.912 10.505 ( -1.444 0.000 3.954) 4.209 10.715 ( -2.958 0.000 -3.192) 4.352 10.739 ( 4.430 0.000 2.671) 5.173 10.921 ( -12.055 0.000 1.726) 12.178 11.057 ( -2.044 0.000 -3.350) 3.925 11.212 ( 3.823 0.000 2.011) 4.319 11.457 ( 1.316 0.000 -0.587) 1.441 11.659 ( 0.354 0.000 6.092) 6.102 11.757 ( -3.270 0.000 1.475) 3.588 12.042 ( -13.139 0.000 -4.409) 13.859 12.051 ( -0.739 0.000 -3.002) 3.092 12.181 ( 1.164 0.000 1.615) 1.991 12.377 ( -1.632 0.000 -1.794) 2.425 12.664 ( -1.561 0.000 4.512) 4.774 12.824 ( -0.503 0.000 5.025) 5.050 13.141 ( -0.820 0.000 -7.412) 7.457 13.357 ( 0.333 0.000 -2.766) 2.786 13.509 ( 6.739 0.000 5.253) 8.544 13.636 ( 5.724 0.000 -5.845) 8.181 14.054 ( -4.505 0.000 -3.461) 5.681 14.181 ( 6.647 0.000 4.747) 8.168 14.404 ( 1.186 0.000 0.907) 1.493 14.491 ( -1.623 0.000 -2.857) 3.286 14.627 ( 4.166 0.000 -2.568) 4.894 14.684 ( -4.599 0.000 1.350) 4.793 15.381 ( -2.217 0.000 -1.086) 2.468 15.557 ( 1.001 0.000 4.249) 4.365 15.800 ( -5.142 0.000 -5.323) 7.401 16.026 ( -2.060 0.000 8.396) 8.645 16.327 ( 0.072 0.000 3.689) 3.690 16.400 ( 10.723 0.000 1.781) 10.870 16.886 ( 3.525 0.000 1.567) 3.858 17.639 ( 1.278 0.000 -14.850) 14.905 17.778 ( -8.407 0.000 10.335) 13.323 18.297 ( 1.130 0.000 -0.954) 1.479 19.573 ( -2.912 0.000 -2.215) 3.659 21.212 ( 8.183 0.000 14.273) 16.452 21.696 ( -5.560 0.000 -25.078) 25.687 21.852 ( -1.525 0.000 5.004) 5.231 22.507 ( -2.314 0.000 1.554) 2.787 23.526 ( -0.529 0.000 2.241) 2.303 ======================= Grid point 5 (6/130) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.000 0.000 0.000) 0.000 2.345 ( 0.000 0.000 -0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 -0.000) 0.000 3.657 ( 0.000 0.000 -0.000) 0.000 3.989 ( 0.000 0.000 -0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.491 ( -0.000 0.000 -0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 -0.000) 0.000 5.372 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 -0.000) 0.000 5.802 ( -0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 -0.000) 0.000 6.244 ( 0.000 0.000 -0.000) 0.000 6.586 ( 0.000 0.000 0.000) 0.000 6.640 ( 0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 6.896 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 7.040 ( -0.000 0.000 -0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.569 ( 0.000 0.000 -0.000) 0.000 7.584 ( -0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 -0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.429 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 8.770 ( 0.000 0.000 0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.302 ( 0.000 0.000 0.000) 0.000 9.347 ( 0.000 0.000 -0.000) 0.000 9.759 ( 0.000 0.000 -0.000) 0.000 9.799 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 9.975 ( 0.000 0.000 0.000) 0.000 10.199 ( 0.000 0.000 -0.000) 0.000 10.495 ( 0.000 0.000 0.000) 0.000 10.692 ( 0.000 0.000 -0.000) 0.000 10.794 ( 0.000 0.000 -0.000) 0.000 10.804 ( 0.000 0.000 0.000) 0.000 11.021 ( 0.000 0.000 -0.000) 0.000 11.251 ( 0.000 0.000 -0.000) 0.000 11.485 ( -0.000 0.000 0.000) 0.000 11.679 ( 0.000 0.000 -0.000) 0.000 11.723 ( 0.000 0.000 0.000) 0.000 11.903 ( 0.000 0.000 0.000) 0.000 12.035 ( 0.000 0.000 -0.000) 0.000 12.190 ( 0.000 0.000 -0.000) 0.000 12.356 ( 0.000 0.000 0.000) 0.000 12.659 ( 0.000 0.000 -0.000) 0.000 12.826 ( 0.000 0.000 0.000) 0.000 13.120 ( 0.000 0.000 0.000) 0.000 13.350 ( 0.000 0.000 0.000) 0.000 13.622 ( 0.000 0.000 0.000) 0.000 13.684 ( 0.000 0.000 0.000) 0.000 13.973 ( 0.000 0.000 0.000) 0.000 14.260 ( 0.000 0.000 -0.000) 0.000 14.418 ( 0.000 0.000 -0.000) 0.000 14.466 ( 0.000 0.000 0.000) 0.000 14.634 ( 0.000 0.000 0.000) 0.000 14.662 ( 0.000 0.000 0.000) 0.000 15.360 ( 0.000 0.000 0.000) 0.000 15.581 ( 0.000 0.000 0.000) 0.000 15.736 ( 0.000 0.000 -0.000) 0.000 16.022 ( 0.000 0.000 0.000) 0.000 16.335 ( 0.000 0.000 0.000) 0.000 16.517 ( 0.000 0.000 0.000) 0.000 16.923 ( 0.000 0.000 0.000) 0.000 17.612 ( 0.000 0.000 -0.000) 0.000 17.718 ( -0.000 0.000 0.000) 0.000 18.306 ( 0.000 0.000 0.000) 0.000 19.537 ( 0.000 0.000 0.000) 0.000 21.368 ( 0.000 0.000 -0.000) 0.000 21.543 ( 0.000 0.000 0.000) 0.000 21.849 ( 0.000 0.000 0.000) 0.000 22.487 ( 0.000 0.000 0.000) 0.000 23.525 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 11 (7/130) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.000 36.305 0.000) 36.305 0.790 ( 0.000 38.097 0.000) 38.097 1.487 ( 0.000 70.416 0.000) 70.416 2.701 ( 0.000 1.574 0.000) 1.574 2.912 ( 0.000 7.939 0.000) 7.939 3.088 ( 0.000 -0.325 0.000) 0.325 3.668 ( 0.000 -5.313 0.000) 5.313 4.397 ( 0.000 -7.800 0.000) 7.800 4.604 ( 0.000 -2.024 0.000) 2.024 4.686 ( 0.000 1.610 0.000) 1.610 4.989 ( 0.000 9.071 0.000) 9.071 5.248 ( 0.000 -4.888 0.000) 4.888 5.315 ( 0.000 13.223 0.000) 13.223 5.348 ( 0.000 -5.825 0.000) 5.825 5.716 ( 0.000 -1.951 0.000) 1.951 5.760 ( 0.000 -2.929 0.000) 2.929 5.865 ( 0.000 6.336 0.000) 6.336 5.929 ( 0.000 0.565 0.000) 0.565 6.127 ( 0.000 7.953 0.000) 7.953 6.216 ( 0.000 -3.028 0.000) 3.028 6.364 ( 0.000 -4.924 0.000) 4.924 6.505 ( 0.000 8.140 0.000) 8.140 6.638 ( 0.000 5.040 0.000) 5.040 6.780 ( 0.000 3.523 0.000) 3.523 6.859 ( 0.000 -0.536 0.000) 0.536 6.977 ( 0.000 4.498 0.000) 4.498 7.378 ( 0.000 0.997 0.000) 0.997 7.545 ( 0.000 3.434 0.000) 3.434 7.808 ( 0.000 7.178 0.000) 7.178 8.024 ( 0.000 -2.706 0.000) 2.706 8.051 ( 0.000 4.787 0.000) 4.787 8.262 ( 0.000 -5.634 0.000) 5.634 8.272 ( 0.000 -3.997 0.000) 3.997 8.402 ( 0.000 2.355 0.000) 2.355 8.503 ( 0.000 5.564 0.000) 5.564 8.550 ( 0.000 3.697 0.000) 3.697 8.647 ( 0.000 9.134 0.000) 9.134 9.048 ( 0.000 0.711 0.000) 0.711 9.049 ( 0.000 -3.140 0.000) 3.140 9.191 ( 0.000 -0.480 0.000) 0.480 9.297 ( 0.000 2.860 0.000) 2.860 9.330 ( 0.000 1.893 0.000) 1.893 9.473 ( 0.000 -0.620 0.000) 0.620 9.522 ( 0.000 1.685 0.000) 1.685 9.685 ( 0.000 1.900 0.000) 1.900 10.069 ( 0.000 -0.551 0.000) 0.551 10.243 ( 0.000 -1.930 0.000) 1.930 10.429 ( 0.000 -1.574 0.000) 1.574 10.483 ( 0.000 1.029 0.000) 1.029 10.767 ( 0.000 -2.869 0.000) 2.869 10.835 ( 0.000 -0.473 0.000) 0.473 10.961 ( 0.000 -2.271 0.000) 2.271 11.164 ( 0.000 0.789 0.000) 0.789 11.210 ( 0.000 1.665 0.000) 1.665 11.489 ( 0.000 -2.746 0.000) 2.746 11.618 ( 0.000 -2.308 0.000) 2.308 11.802 ( 0.000 3.563 0.000) 3.563 11.822 ( 0.000 6.760 0.000) 6.760 11.832 ( 0.000 -2.905 0.000) 2.905 11.922 ( 0.000 1.628 0.000) 1.628 12.225 ( 0.000 -0.602 0.000) 0.602 12.560 ( 0.000 4.023 0.000) 4.023 12.601 ( 0.000 -7.493 0.000) 7.493 12.792 ( 0.000 5.045 0.000) 5.045 13.154 ( 0.000 -10.580 0.000) 10.580 13.197 ( 0.000 -2.424 0.000) 2.424 13.457 ( 0.000 -1.586 0.000) 1.586 13.466 ( 0.000 -9.375 0.000) 9.375 13.677 ( 0.000 5.649 0.000) 5.649 13.832 ( 0.000 6.232 0.000) 6.232 13.894 ( 0.000 -2.101 0.000) 2.101 14.250 ( 0.000 -3.531 0.000) 3.531 14.523 ( 0.000 -8.588 0.000) 8.588 15.185 ( 0.000 -8.587 0.000) 8.587 15.319 ( 0.000 -3.893 0.000) 3.893 15.723 ( 0.000 2.508 0.000) 2.508 16.019 ( 0.000 0.473 0.000) 0.473 16.088 ( 0.000 -8.509 0.000) 8.509 16.366 ( 0.000 -1.172 0.000) 1.172 16.424 ( 0.000 -0.983 0.000) 0.983 17.434 ( 0.000 -2.708 0.000) 2.708 17.498 ( 0.000 1.613 0.000) 1.613 17.924 ( 0.000 -0.007 0.000) 0.007 18.227 ( 0.000 -0.036 0.000) 0.036 19.527 ( 0.000 6.754 0.000) 6.754 20.691 ( 0.000 3.148 0.000) 3.148 21.147 ( 0.000 -8.828 0.000) 8.828 22.069 ( 0.000 -4.633 0.000) 4.633 22.719 ( 0.000 4.292 0.000) 4.292 24.818 ( 0.000 -2.082 0.000) 2.082 ======================= Grid point 12 (8/130) ======================= q-point: ( 0.10 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 16.887 31.504 3.514) 35.917 1.040 ( 22.903 27.798 -2.147) 36.082 1.877 ( 36.794 47.846 0.416) 60.360 2.708 ( 0.353 5.505 8.286) 9.954 2.940 ( 3.691 9.413 -3.545) 10.714 3.021 ( -3.213 -3.224 -9.862) 10.862 3.669 ( -1.868 -3.630 6.070) 7.315 4.450 ( 1.770 -5.843 5.958) 8.530 4.589 ( 2.079 -0.615 0.638) 2.260 4.753 ( 6.876 -5.103 -4.848) 9.840 5.027 ( 4.837 5.866 -9.750) 12.364 5.235 ( -2.496 0.342 4.162) 4.865 5.326 ( -2.678 -4.709 3.971) 6.716 5.376 ( 5.730 8.506 -0.375) 10.263 5.679 ( 0.158 -1.880 -7.775) 8.001 5.764 ( -0.436 -1.859 -2.572) 3.203 5.833 ( -5.615 5.598 2.334) 8.265 5.919 ( 0.415 0.321 -1.287) 1.390 6.077 ( -2.744 3.973 0.567) 4.862 6.289 ( -4.992 -1.574 -2.244) 5.695 6.335 ( 6.739 0.361 1.168) 6.849 6.399 ( -5.721 7.616 -0.844) 9.563 6.633 ( -1.081 8.676 1.860) 8.939 6.783 ( -0.568 -1.999 1.386) 2.498 6.919 ( 4.809 6.671 -6.132) 10.258 7.066 ( 4.815 2.432 2.343) 5.881 7.256 ( -6.533 11.379 3.097) 13.482 7.537 ( -0.211 6.644 -4.429) 7.988 7.595 ( -6.906 15.222 -3.475) 17.073 7.954 ( -5.209 -1.889 7.779) 9.550 8.079 ( -0.780 -0.145 -4.687) 4.754 8.198 ( -2.351 1.133 -5.972) 6.518 8.229 ( -4.994 -3.648 3.837) 7.278 8.409 ( -0.277 4.477 -6.531) 7.923 8.477 ( -0.290 4.916 -0.916) 5.009 8.598 ( 3.964 5.067 -2.320) 6.839 8.724 ( 4.950 5.340 2.041) 7.562 8.940 ( -3.858 -0.020 -9.919) 10.643 9.077 ( -1.853 -2.222 6.553) 7.164 9.128 ( -3.624 3.741 -3.738) 6.411 9.226 ( -2.761 -0.013 3.546) 4.495 9.327 ( -7.996 2.996 -0.345) 8.546 9.389 ( -3.994 4.554 -0.253) 6.063 9.512 ( 0.528 -0.277 -2.543) 2.612 9.778 ( 6.065 1.098 -2.638) 6.705 10.025 ( -4.997 -0.262 4.111) 6.477 10.170 ( -1.260 3.630 1.159) 4.014 10.305 ( -5.317 0.558 5.424) 7.616 10.480 ( -0.379 0.967 3.256) 3.418 10.608 ( -11.146 -2.031 -1.152) 11.388 10.807 ( 0.771 -4.711 2.695) 5.482 10.981 ( -4.644 -1.524 -0.852) 4.961 11.140 ( -0.961 -0.695 -2.556) 2.818 11.380 ( -7.514 -4.399 2.922) 9.184 11.520 ( 0.195 -2.129 7.438) 7.739 11.682 ( -7.819 -1.538 2.578) 8.376 11.796 ( 3.573 1.215 1.431) 4.037 11.821 ( 2.131 1.464 -0.947) 2.754 11.926 ( 3.097 -1.367 -2.177) 4.025 12.059 ( -0.510 -7.592 3.587) 8.412 12.331 ( 14.530 -11.311 6.946) 19.680 12.583 ( 0.302 -6.632 -1.953) 6.920 12.591 ( 2.592 -4.443 7.059) 8.734 12.879 ( 7.003 2.282 4.286) 8.521 13.124 ( -4.563 -10.308 -6.998) 13.269 13.283 ( 8.171 -3.886 -0.489) 9.061 13.381 ( -4.367 -8.059 -8.662) 12.611 13.473 ( 2.802 -1.907 -2.906) 4.464 13.660 ( 0.599 2.077 1.549) 2.659 13.766 ( 0.237 -2.036 3.271) 3.860 14.108 ( 11.017 -0.189 0.089) 11.019 14.215 ( -1.727 -3.354 -1.104) 3.931 14.542 ( 1.799 -7.551 0.399) 7.772 15.038 ( -8.206 -3.910 -3.865) 9.878 15.449 ( 5.567 -3.390 0.886) 6.577 15.736 ( 2.860 -1.690 -3.127) 4.562 15.933 ( -7.171 1.656 15.843) 17.469 16.123 ( 2.619 -5.859 -12.549) 14.095 16.331 ( -8.567 0.335 -2.492) 8.928 16.431 ( 0.523 1.116 6.271) 6.390 16.722 ( -28.929 27.099 22.146) 45.406 17.734 ( 1.047 -7.629 -12.342) 14.547 18.028 ( 4.500 1.655 5.690) 7.441 18.236 ( 0.972 0.172 -0.585) 1.147 19.582 ( 4.190 3.017 0.605) 5.199 20.731 ( 2.937 2.628 6.199) 7.345 21.327 ( 17.645 -28.539 -30.161) 45.117 22.045 ( -2.907 -6.312 2.153) 7.275 22.711 ( -0.294 5.567 -4.350) 7.071 24.365 ( -26.248 28.416 -12.085) 40.527 ======================= Grid point 13 (9/130) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 23.290 21.591 5.366) 32.209 1.505 ( 26.810 14.420 0.237) 30.443 2.556 ( 17.619 9.378 3.447) 20.255 2.792 ( 15.410 11.531 -2.251) 19.378 3.002 ( 6.029 1.504 -4.317) 7.566 3.077 ( 16.529 16.216 -4.483) 23.585 3.630 ( -5.370 -2.930 9.346) 11.169 4.444 ( -4.593 -0.606 11.384) 12.291 4.721 ( 9.139 -9.793 -7.039) 15.132 4.879 ( 8.472 -6.653 -5.233) 11.976 5.078 ( 3.860 2.059 -5.188) 6.786 5.173 ( -5.384 2.072 1.738) 6.025 5.297 ( -1.380 -4.583 5.700) 7.443 5.507 ( 6.959 9.074 1.188) 11.496 5.617 ( -9.323 0.852 -1.709) 9.517 5.686 ( -5.438 4.617 -6.828) 9.875 5.754 ( 0.951 -1.818 -0.972) 2.271 5.905 ( -1.585 0.776 0.811) 1.942 6.073 ( 3.026 5.148 -2.537) 6.488 6.183 ( -3.829 -0.670 1.635) 4.217 6.317 ( 0.219 7.968 -5.893) 9.913 6.511 ( 7.901 0.664 2.616) 8.349 6.652 ( 2.447 9.283 0.228) 9.603 6.770 ( 0.244 -2.530 -0.694) 2.635 6.959 ( 1.202 13.678 -2.371) 13.934 7.063 ( -1.267 6.717 2.830) 7.398 7.299 ( 0.688 4.225 2.085) 4.762 7.497 ( -0.547 9.699 1.877) 9.894 7.535 ( -1.241 4.377 -4.455) 6.368 7.886 ( -4.876 -0.672 5.796) 7.604 7.986 ( -5.921 0.147 -5.770) 8.269 8.114 ( -4.727 3.364 0.688) 5.842 8.171 ( -3.697 -1.654 2.853) 4.954 8.359 ( -2.127 7.245 -2.960) 8.110 8.483 ( 1.289 1.856 -2.555) 3.410 8.661 ( 2.911 8.819 -2.733) 9.681 8.807 ( 3.686 1.694 -2.025) 4.534 8.840 ( -4.763 0.621 -3.331) 5.845 9.003 ( -6.024 2.848 -3.141) 7.366 9.040 ( -3.717 -1.631 3.828) 5.580 9.135 ( -6.788 -1.540 1.999) 7.242 9.299 ( -0.598 2.793 2.659) 3.903 9.302 ( -0.024 5.378 -4.285) 6.876 9.487 ( -1.982 0.616 -3.327) 3.921 9.825 ( -0.361 3.986 -3.264) 5.165 9.956 ( -4.935 -2.610 3.622) 6.655 10.106 ( -7.443 4.499 -0.435) 8.708 10.311 ( 4.264 -2.933 7.763) 9.330 10.362 ( -11.304 -1.844 2.063) 11.638 10.543 ( 1.583 -0.751 4.588) 4.911 10.828 ( -2.270 -3.163 1.030) 4.027 10.831 ( -6.465 -1.713 -1.583) 6.873 11.105 ( -1.386 -2.369 -3.646) 4.564 11.195 ( -11.161 -0.474 -1.306) 11.247 11.475 ( -5.329 -1.876 -3.740) 6.775 11.572 ( -5.474 -3.043 10.867) 12.543 11.732 ( -14.008 1.571 0.207) 14.097 11.824 ( -1.434 -2.556 5.315) 6.069 11.971 ( 5.390 -0.624 0.612) 5.460 12.045 ( 3.338 1.708 -2.937) 4.763 12.445 ( -1.583 -1.294 1.015) 2.282 12.611 ( 1.382 -6.836 -1.670) 7.172 12.659 ( 0.034 -7.262 10.748) 12.971 12.868 ( -15.744 -1.800 -3.977) 16.338 13.057 ( 9.211 -2.432 2.068) 9.749 13.261 ( -1.548 -2.542 -15.840) 16.117 13.429 ( 4.951 -4.682 -5.350) 8.664 13.583 ( 2.744 -7.111 3.815) 8.524 13.703 ( 4.494 -5.706 3.630) 8.120 13.852 ( 7.788 -10.316 0.696) 12.944 14.154 ( -0.970 -0.166 5.499) 5.586 14.327 ( 9.793 -4.662 -6.721) 12.759 14.579 ( 1.581 -4.997 0.340) 5.252 14.898 ( -5.651 -0.838 -2.596) 6.275 15.432 ( -5.946 -5.120 1.064) 7.918 15.841 ( 4.324 2.534 3.589) 6.164 15.926 ( 4.950 6.153 -3.865) 8.792 16.042 ( -8.309 -0.177 5.936) 10.213 16.163 ( -5.204 -2.415 -3.836) 6.902 16.314 ( -10.239 8.414 17.789) 22.183 16.688 ( 6.586 6.513 5.625) 10.836 17.675 ( -0.370 -5.236 -13.385) 14.378 18.054 ( -3.319 4.696 5.606) 8.031 18.256 ( 1.457 0.536 -1.252) 1.995 19.647 ( 1.954 0.745 -0.469) 2.143 20.841 ( 5.367 1.133 9.274) 10.775 21.472 ( 9.717 -30.076 -25.702) 40.738 21.982 ( -4.228 -6.250 0.892) 7.599 22.670 ( -2.258 6.078 -3.674) 7.453 23.973 ( -14.035 26.661 -2.475) 30.231 ======================= Grid point 14 (10/130) ======================= q-point: ( 0.30 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 20.001 12.493 6.544) 24.473 2.026 ( 27.266 6.562 1.518) 28.085 2.571 ( -1.606 0.665 -2.297) 2.880 3.110 ( 13.829 0.075 -3.323) 14.222 3.199 ( 14.016 4.416 -4.354) 15.327 3.553 ( -5.719 -2.023 11.954) 13.405 3.594 ( 29.893 22.264 0.618) 37.278 4.372 ( -7.329 -3.134 8.320) 11.522 4.746 ( -4.717 -11.203 -6.700) 13.880 4.996 ( -1.325 -4.624 1.832) 5.147 5.082 ( 3.939 3.206 -9.991) 11.208 5.134 ( 1.119 0.175 -1.175) 1.632 5.342 ( -0.374 -1.149 7.427) 7.525 5.396 ( -7.223 1.192 1.971) 7.581 5.529 ( -5.843 4.764 -0.881) 7.590 5.625 ( 4.987 9.996 -6.030) 12.695 5.827 ( 5.885 -0.620 -3.002) 6.635 5.905 ( 1.427 1.069 0.124) 1.787 6.106 ( -0.417 6.265 0.057) 6.279 6.193 ( 3.305 -1.415 4.373) 5.662 6.360 ( 7.273 4.000 -8.557) 11.922 6.628 ( 2.014 -2.288 2.738) 4.097 6.686 ( 3.544 2.500 -3.876) 5.816 6.824 ( 3.607 8.810 2.369) 9.810 6.967 ( 0.734 14.405 -0.166) 14.425 7.076 ( 0.933 3.808 3.530) 5.275 7.207 ( -8.474 6.001 0.854) 10.418 7.475 ( -2.530 2.699 -5.451) 6.588 7.535 ( 0.729 7.408 2.905) 7.990 7.798 ( -6.730 1.734 2.688) 7.452 7.864 ( -4.463 -3.468 -2.742) 6.282 8.035 ( -3.544 4.254 -0.101) 5.538 8.104 ( -4.243 1.365 2.742) 5.233 8.329 ( -0.026 8.790 -1.053) 8.853 8.493 ( 0.459 2.159 -2.856) 3.610 8.661 ( -1.152 7.494 -2.572) 8.006 8.732 ( -5.114 2.005 3.888) 6.730 8.852 ( 1.082 0.904 -2.586) 2.945 8.921 ( -2.572 -0.299 -0.568) 2.651 8.990 ( -3.790 3.306 4.166) 6.531 9.060 ( -0.998 -0.692 -1.985) 2.328 9.221 ( -2.091 6.211 -4.922) 8.196 9.353 ( 0.062 -1.949 -2.644) 3.285 9.466 ( 3.274 1.418 -1.471) 3.859 9.695 ( -13.012 3.258 -2.258) 13.602 9.850 ( -2.822 0.721 -3.311) 4.410 10.031 ( -1.923 2.151 3.053) 4.201 10.145 ( -10.986 -0.639 1.489) 11.105 10.462 ( 4.471 -1.030 10.471) 11.432 10.533 ( -5.450 -3.392 4.533) 7.858 10.672 ( -5.665 -3.604 -0.691) 6.749 10.813 ( -2.804 -1.146 -4.859) 5.725 11.039 ( -3.524 -2.135 0.860) 4.209 11.081 ( -0.045 -1.299 -0.992) 1.635 11.263 ( -15.525 -0.369 -2.773) 15.775 11.474 ( -3.914 -1.509 2.169) 4.722 11.599 ( -2.482 -2.992 4.767) 6.150 11.798 ( -3.233 -1.664 4.399) 5.707 12.066 ( 0.609 0.171 -2.518) 2.596 12.090 ( 4.330 -1.938 1.738) 5.053 12.326 ( -11.993 -2.002 -3.381) 12.621 12.494 ( -6.611 2.657 -4.901) 8.648 12.686 ( -1.398 -0.443 8.436) 8.563 12.751 ( 1.798 -3.461 2.862) 4.837 13.163 ( 1.278 -5.404 -12.158) 13.366 13.250 ( 6.728 0.116 1.381) 6.869 13.489 ( -1.036 -1.035 -2.352) 2.770 13.526 ( 0.961 -2.642 -3.709) 4.654 13.878 ( 7.676 -11.795 7.782) 16.081 13.990 ( 6.239 -13.794 -4.966) 15.933 14.185 ( 1.581 0.525 5.237) 5.496 14.458 ( 6.944 -6.372 -6.008) 11.176 14.596 ( 0.040 -1.753 0.302) 1.779 14.781 ( -6.672 -1.219 -0.896) 6.841 15.331 ( -4.723 -7.370 5.429) 10.300 15.761 ( -7.147 8.956 -9.018) 14.581 15.993 ( -0.533 4.496 9.234) 10.285 16.053 ( -3.926 2.572 -1.377) 4.891 16.132 ( 10.253 -2.560 6.513) 12.414 16.258 ( -1.751 -1.123 7.154) 7.451 16.831 ( 6.000 4.755 3.956) 8.618 17.635 ( 1.944 -3.651 -14.974) 15.535 17.967 ( -8.178 5.173 7.667) 12.346 18.280 ( 1.689 0.519 -1.569) 2.364 19.641 ( -1.875 0.425 -1.715) 2.576 20.995 ( 6.186 -1.392 13.490) 14.906 21.513 ( 4.917 -23.611 -23.664) 33.788 21.905 ( -4.215 -3.289 2.161) 5.767 22.608 ( -3.024 5.119 -1.919) 6.247 23.767 ( -8.541 16.874 1.669) 18.986 ======================= Grid point 15 (11/130) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 7.503 1.781 4.087) 8.728 2.444 ( 12.906 10.027 2.513) 16.535 2.670 ( 16.130 4.209 -4.294) 17.214 3.316 ( 6.188 -7.752 -4.710) 10.980 3.391 ( 4.341 7.229 -0.847) 8.474 3.525 ( 3.388 -3.037 11.723) 12.575 4.036 ( 15.017 15.455 -0.323) 21.552 4.258 ( -6.285 -6.256 4.856) 10.111 4.545 ( -11.773 -7.928 -3.764) 14.684 4.853 ( -9.092 2.853 1.016) 9.583 5.069 ( -6.323 11.580 1.932) 13.334 5.195 ( 0.988 -0.458 -6.061) 6.158 5.244 ( 2.731 -0.487 -3.367) 4.362 5.373 ( -3.614 3.042 3.427) 5.836 5.596 ( 10.128 -1.428 0.331) 10.234 5.761 ( 12.483 8.195 -8.903) 17.385 5.877 ( -1.141 0.787 -0.241) 1.406 5.941 ( 2.520 -1.297 -0.416) 2.865 6.084 ( -3.155 2.739 5.635) 7.015 6.273 ( 2.934 3.309 3.699) 5.765 6.470 ( 5.469 -1.525 -7.949) 9.769 6.605 ( -2.317 -9.125 -0.267) 9.418 6.810 ( 8.881 3.613 -1.144) 9.656 6.865 ( 0.214 14.034 2.419) 14.242 6.981 ( -0.396 7.333 1.917) 7.590 7.019 ( -8.092 4.189 2.084) 9.347 7.144 ( 1.616 12.358 1.922) 12.610 7.416 ( -1.050 5.045 -5.215) 7.331 7.529 ( -1.345 4.132 0.701) 4.401 7.675 ( -6.423 2.263 1.609) 6.998 7.805 ( -0.882 -5.308 -1.616) 5.618 7.981 ( -2.687 5.513 0.843) 6.191 8.048 ( -2.070 1.794 0.856) 2.870 8.345 ( 1.450 9.079 -0.246) 9.197 8.489 ( 1.018 5.087 -1.685) 5.454 8.632 ( -0.607 7.078 -2.003) 7.381 8.705 ( -0.783 0.215 7.655) 7.698 8.806 ( -4.341 2.825 1.528) 5.400 8.863 ( -4.683 3.839 -5.303) 8.050 8.950 ( -0.152 3.377 2.838) 4.414 9.036 ( -1.505 0.949 -1.283) 2.193 9.206 ( 1.858 1.264 -5.013) 5.493 9.296 ( -4.532 -3.593 -0.674) 5.823 9.451 ( -8.629 2.236 -2.632) 9.294 9.581 ( 7.123 -1.584 -3.028) 7.900 9.828 ( 1.996 1.530 -2.471) 3.526 9.984 ( -6.235 2.736 2.593) 7.286 10.014 ( -1.151 2.838 0.816) 3.170 10.351 ( -11.890 -2.267 1.831) 12.242 10.502 ( -3.635 -1.093 3.941) 5.472 10.689 ( 4.904 -4.600 4.251) 7.954 10.741 ( -1.590 1.741 -3.092) 3.889 10.906 ( -11.652 -0.751 1.003) 11.719 11.024 ( -3.155 -2.966 -2.638) 5.071 11.160 ( 2.222 -4.471 2.236) 5.471 11.459 ( 1.366 -0.126 -1.056) 1.731 11.585 ( -0.999 -6.472 3.618) 7.482 11.748 ( -2.621 -0.924 0.560) 2.835 11.997 ( -7.683 -3.110 -0.063) 8.288 12.097 ( -3.570 1.688 -3.692) 5.406 12.172 ( 0.754 1.183 0.126) 1.408 12.417 ( -1.901 3.108 -1.352) 3.886 12.694 ( -0.591 2.399 4.056) 4.750 12.781 ( -0.284 -2.833 3.429) 4.457 13.166 ( 3.146 -0.919 -4.104) 5.252 13.317 ( -1.373 -1.673 -5.313) 5.737 13.493 ( 5.880 -3.090 5.667) 8.731 13.602 ( 4.956 -1.991 -5.388) 7.587 13.981 ( -0.463 -6.429 0.362) 6.456 14.042 ( 2.732 -19.772 -1.825) 20.043 14.240 ( 2.472 1.684 2.781) 4.084 14.544 ( 3.643 -7.290 -3.054) 8.703 14.590 ( -0.516 0.493 0.398) 0.817 14.648 ( -6.270 -3.586 0.407) 7.235 15.311 ( -0.314 -5.268 6.902) 8.688 15.597 ( -6.140 -0.563 -7.374) 9.612 15.981 ( -1.304 12.830 -2.476) 13.132 16.034 ( -0.484 5.076 8.234) 9.685 16.235 ( -0.656 -7.852 4.707) 9.179 16.372 ( 9.459 -2.327 0.753) 9.770 16.931 ( 3.300 4.077 2.119) 5.657 17.629 ( 3.470 -0.978 -15.207) 15.629 17.829 ( -9.337 4.526 10.576) 14.816 18.303 ( 1.132 0.481 -1.053) 1.619 19.586 ( -2.621 1.164 -1.494) 3.234 21.169 ( 5.683 -5.028 18.354) 19.860 21.468 ( 0.258 -16.607 -25.110) 30.105 21.854 ( -2.265 -1.153 3.580) 4.390 22.552 ( -2.181 4.194 -0.687) 4.777 23.654 ( -4.325 9.687 1.726) 10.748 ======================= Grid point 16 (12/130) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -0.000 -2.276 0.000) 2.276 2.566 ( -0.000 14.486 -0.000) 14.486 2.897 ( -0.000 8.249 -0.000) 8.249 3.332 ( 0.000 -15.149 0.000) 15.149 3.369 ( 0.000 3.137 -0.000) 3.137 3.671 ( -0.000 1.036 -0.000) 1.036 4.165 ( -0.000 -11.106 0.000) 11.106 4.183 ( 0.000 11.554 -0.000) 11.554 4.419 ( -0.000 -1.593 -0.000) 1.593 4.752 ( 0.000 4.685 -0.000) 4.685 4.999 ( 0.000 16.081 0.000) 16.081 5.162 ( 0.000 -1.740 0.000) 1.740 5.300 ( -0.000 5.142 0.000) 5.142 5.342 ( 0.000 -1.557 -0.000) 1.557 5.760 ( 0.000 -0.194 0.000) 0.194 5.795 ( -0.000 -0.145 0.000) 0.145 5.915 ( -0.000 10.311 0.000) 10.311 5.996 ( 0.000 -1.529 -0.000) 1.529 6.020 ( -0.000 -1.640 0.000) 1.640 6.312 ( 0.000 5.108 0.000) 5.108 6.487 ( 0.000 -5.498 -0.000) 5.498 6.585 ( 0.000 -11.128 -0.000) 11.128 6.881 ( -0.000 15.412 0.000) 15.412 6.901 ( 0.000 -3.128 -0.000) 3.128 6.956 ( 0.000 6.885 -0.000) 6.885 6.961 ( -0.000 10.046 0.000) 10.046 7.161 ( -0.000 11.896 -0.000) 11.896 7.397 ( 0.000 14.028 0.000) 14.028 7.518 ( 0.000 -3.530 0.000) 3.530 7.606 ( 0.000 2.545 0.000) 2.545 7.803 ( -0.000 -5.659 0.000) 5.659 7.948 ( 0.000 6.523 -0.000) 6.523 8.034 ( 0.000 1.737 0.000) 1.737 8.360 ( 0.000 7.736 0.000) 7.736 8.510 ( 0.000 8.367 0.000) 8.367 8.633 ( 0.000 9.886 0.000) 9.886 8.714 ( 0.000 0.175 0.000) 0.175 8.751 ( 0.000 2.485 -0.000) 2.485 8.787 ( -0.000 2.222 0.000) 2.222 8.964 ( 0.000 3.745 0.000) 3.745 9.014 ( 0.000 1.146 0.000) 1.146 9.216 ( 0.000 -0.639 0.000) 0.639 9.232 ( 0.000 -3.704 -0.000) 3.704 9.374 ( 0.000 1.610 -0.000) 1.610 9.643 ( 0.000 -5.011 -0.000) 5.011 9.883 ( -0.000 1.034 0.000) 1.034 9.936 ( 0.000 6.701 0.000) 6.701 10.003 ( 0.000 3.189 -0.000) 3.189 10.193 ( 0.000 -0.565 0.000) 0.565 10.470 ( 0.000 -2.651 0.000) 2.651 10.749 ( 0.000 4.677 -0.000) 4.677 10.756 ( -0.000 -3.309 0.000) 3.309 10.762 ( 0.000 -3.781 0.000) 3.781 10.986 ( 0.000 -3.147 0.000) 3.147 11.186 ( 0.000 -5.565 -0.000) 5.565 11.479 ( -0.000 -0.879 -0.000) 0.879 11.584 ( 0.000 -7.919 0.000) 7.919 11.722 ( 0.000 -0.179 0.000) 0.179 11.905 ( 0.000 -0.834 0.000) 0.834 12.065 ( 0.000 2.532 -0.000) 2.532 12.178 ( 0.000 -0.011 -0.000) 0.011 12.396 ( 0.000 3.296 -0.000) 3.296 12.694 ( 0.000 3.025 0.000) 3.025 12.783 ( 0.000 -2.465 0.000) 2.465 13.212 ( 0.000 6.868 0.000) 6.868 13.267 ( 0.000 -7.656 0.000) 7.656 13.612 ( 0.000 -6.460 0.000) 6.460 13.626 ( 0.000 -1.009 0.000) 1.009 13.941 ( 0.000 -3.280 0.000) 3.280 14.070 ( 0.000 -20.709 -0.000) 20.709 14.278 ( 0.000 1.428 -0.000) 1.428 14.545 ( 0.000 -7.526 -0.000) 7.526 14.592 ( 0.000 2.086 -0.000) 2.086 14.602 ( -0.000 -5.843 0.000) 5.843 15.336 ( 0.000 -1.614 -0.000) 1.614 15.511 ( 0.000 -6.028 0.000) 6.028 15.964 ( -0.000 12.039 0.000) 12.039 16.047 ( 0.000 8.918 0.000) 8.918 16.236 ( 0.000 -9.310 -0.000) 9.310 16.473 ( 0.000 -3.528 -0.000) 3.528 16.967 ( 0.000 3.686 0.000) 3.686 17.638 ( 0.000 2.273 -0.000) 2.273 17.748 ( -0.000 2.662 0.000) 2.662 18.312 ( 0.000 0.464 0.000) 0.464 19.555 ( 0.000 1.593 -0.000) 1.593 21.338 ( 0.000 -17.550 0.000) 17.550 21.341 ( -0.000 -2.405 -0.000) 2.405 21.842 ( 0.000 -0.915 0.000) 0.915 22.529 ( 0.000 3.841 0.000) 3.841 23.617 ( 0.000 7.124 0.000) 7.124 ======================= Grid point 22 (13/130) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 0.000 30.485 0.000) 30.485 1.540 ( 0.000 35.082 0.000) 35.082 2.554 ( 0.000 14.507 0.000) 14.507 3.039 ( 0.000 50.040 0.000) 50.040 3.064 ( 0.000 -2.373 0.000) 2.373 3.113 ( 0.000 10.625 0.000) 10.625 3.560 ( 0.000 -4.090 0.000) 4.090 4.157 ( 0.000 -14.291 0.000) 14.291 4.561 ( 0.000 -3.277 0.000) 3.277 4.715 ( 0.000 1.124 0.000) 1.124 5.093 ( 0.000 -1.503 0.000) 1.503 5.227 ( 0.000 -5.381 0.000) 5.381 5.285 ( 0.000 11.194 0.000) 11.194 5.563 ( 0.000 4.833 0.000) 4.833 5.683 ( 0.000 -1.214 0.000) 1.214 5.748 ( 0.000 5.161 0.000) 5.161 5.966 ( 0.000 2.222 0.000) 2.222 6.012 ( 0.000 4.414 0.000) 4.414 6.133 ( 0.000 -1.505 0.000) 1.505 6.217 ( 0.000 -4.220 0.000) 4.220 6.327 ( 0.000 7.420 0.000) 7.420 6.680 ( 0.000 6.838 0.000) 6.838 6.762 ( 0.000 6.708 0.000) 6.708 6.806 ( 0.000 -3.259 0.000) 3.259 6.865 ( 0.000 4.604 0.000) 4.604 7.104 ( 0.000 6.484 0.000) 6.484 7.414 ( 0.000 2.584 0.000) 2.584 7.640 ( 0.000 3.550 0.000) 3.550 7.941 ( 0.000 -5.153 0.000) 5.153 7.948 ( 0.000 6.706 0.000) 6.706 8.086 ( 0.000 -2.227 0.000) 2.227 8.175 ( 0.000 -2.374 0.000) 2.374 8.260 ( 0.000 3.489 0.000) 3.489 8.527 ( 0.000 8.908 0.000) 8.908 8.583 ( 0.000 -1.001 0.000) 1.001 8.633 ( 0.000 7.561 0.000) 7.561 8.834 ( 0.000 5.211 0.000) 5.211 9.056 ( 0.000 6.260 0.000) 6.260 9.074 ( 0.000 1.690 0.000) 1.690 9.177 ( 0.000 -1.058 0.000) 1.058 9.326 ( 0.000 -2.437 0.000) 2.437 9.330 ( 0.000 2.077 0.000) 2.077 9.434 ( 0.000 -2.681 0.000) 2.681 9.631 ( 0.000 8.013 0.000) 8.013 9.784 ( 0.000 7.782 0.000) 7.782 10.052 ( 0.000 -1.187 0.000) 1.187 10.215 ( 0.000 -0.395 0.000) 0.395 10.373 ( 0.000 -3.593 0.000) 3.593 10.486 ( 0.000 -0.654 0.000) 0.654 10.659 ( 0.000 -7.288 0.000) 7.288 10.842 ( 0.000 -0.623 0.000) 0.623 10.912 ( 0.000 -2.242 0.000) 2.242 11.139 ( 0.000 -4.208 0.000) 4.208 11.248 ( 0.000 1.630 0.000) 1.630 11.473 ( 0.000 2.135 0.000) 2.135 11.586 ( 0.000 -0.304 0.000) 0.304 11.756 ( 0.000 -3.857 0.000) 3.857 11.799 ( 0.000 -2.492 0.000) 2.492 11.937 ( 0.000 2.118 0.000) 2.118 12.056 ( 0.000 10.021 0.000) 10.021 12.181 ( 0.000 -2.910 0.000) 2.910 12.425 ( 0.000 -8.553 0.000) 8.553 12.648 ( 0.000 3.174 0.000) 3.174 12.909 ( 0.000 2.216 0.000) 2.216 13.032 ( 0.000 4.508 0.000) 4.508 13.128 ( 0.000 -4.794 0.000) 4.794 13.296 ( 0.000 -6.234 0.000) 6.234 13.412 ( 0.000 -2.590 0.000) 2.590 13.729 ( 0.000 -1.098 0.000) 1.098 13.843 ( 0.000 -2.307 0.000) 2.307 13.884 ( 0.000 -2.172 0.000) 2.172 14.160 ( 0.000 -5.002 0.000) 5.002 14.286 ( 0.000 -13.311 0.000) 13.311 15.042 ( 0.000 -4.134 0.000) 4.134 15.270 ( 0.000 -0.079 0.000) 0.079 15.671 ( 0.000 -9.300 0.000) 9.300 15.911 ( 0.000 -6.683 0.000) 6.683 15.996 ( 0.000 -2.543 0.000) 2.543 16.360 ( 0.000 0.568 0.000) 0.568 16.392 ( 0.000 -1.848 0.000) 1.848 17.374 ( 0.000 -2.798 0.000) 2.798 17.533 ( 0.000 1.606 0.000) 1.606 17.922 ( 0.000 -0.152 0.000) 0.152 18.229 ( 0.000 0.248 0.000) 0.248 19.709 ( 0.000 10.564 0.000) 10.564 20.783 ( 0.000 5.679 0.000) 5.679 20.916 ( 0.000 -13.124 0.000) 13.124 21.935 ( 0.000 -8.176 0.000) 8.176 22.814 ( 0.000 4.442 0.000) 4.442 24.764 ( 0.000 -3.007 0.000) 3.007 ======================= Grid point 23 (14/130) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 11.727 30.276 0.782) 32.477 1.677 ( 15.845 32.382 -2.732) 36.154 2.602 ( 5.309 14.071 0.616) 15.051 2.924 ( -3.752 -2.103 -11.946) 12.697 2.955 ( -5.084 13.879 5.894) 15.912 3.373 ( 16.863 38.457 3.777) 42.161 3.598 ( 0.700 -2.978 3.805) 4.882 4.204 ( 6.449 -16.007 -7.195) 18.697 4.554 ( -1.885 -4.164 3.763) 5.920 4.703 ( -0.155 -0.174 0.190) 0.301 5.106 ( 0.637 -1.101 1.113) 1.691 5.211 ( -1.586 -5.015 0.287) 5.268 5.287 ( -0.333 8.801 2.282) 9.099 5.583 ( 2.118 0.947 -1.580) 2.807 5.662 ( 0.055 4.801 -3.906) 6.189 5.749 ( -0.858 1.405 -1.858) 2.482 5.929 ( -1.655 1.242 0.402) 2.108 6.001 ( -2.349 8.186 -1.128) 8.591 6.087 ( -2.315 -1.401 -1.766) 3.231 6.294 ( 4.221 -0.576 3.250) 5.358 6.360 ( 3.256 4.698 1.822) 6.000 6.570 ( -7.545 8.572 1.733) 11.550 6.739 ( -0.902 -1.107 -3.774) 4.035 6.822 ( 2.769 8.362 1.264) 8.899 7.038 ( 9.593 4.456 -2.217) 10.807 7.089 ( 0.709 1.674 3.247) 3.721 7.427 ( 0.431 6.116 2.077) 6.474 7.625 ( 0.028 2.601 -3.738) 4.554 7.891 ( -4.140 8.228 -1.550) 9.340 7.969 ( 0.938 0.695 0.011) 1.168 8.007 ( -5.393 0.800 0.894) 5.525 8.149 ( -4.210 -3.465 2.852) 6.153 8.281 ( 0.766 3.259 -2.116) 3.961 8.513 ( -1.248 6.611 0.738) 6.768 8.605 ( 1.691 4.909 -8.696) 10.128 8.653 ( 3.415 3.311 5.800) 7.501 8.864 ( 2.572 3.572 -0.217) 4.407 9.012 ( -4.263 3.035 -3.861) 6.503 9.043 ( -1.292 6.044 0.555) 6.205 9.189 ( -0.461 0.337 3.318) 3.366 9.236 ( -5.188 3.594 2.681) 6.857 9.341 ( -4.863 -2.361 -6.288) 8.293 9.454 ( 3.165 1.321 2.833) 4.449 9.579 ( -3.718 6.906 -5.707) 9.700 9.806 ( 3.514 3.263 1.289) 4.966 10.027 ( -3.547 -0.168 1.804) 3.983 10.194 ( -1.252 -0.153 2.574) 2.866 10.365 ( -3.895 2.918 -2.346) 5.402 10.463 ( -1.659 -2.870 4.980) 5.982 10.593 ( -12.050 0.479 -6.258) 13.587 10.686 ( 1.561 -5.914 3.904) 7.256 10.939 ( -4.007 -2.424 0.344) 4.696 11.097 ( -3.282 -4.986 -1.331) 6.116 11.285 ( -3.338 -3.069 3.790) 5.910 11.495 ( -0.410 -0.959 0.230) 1.068 11.650 ( -5.427 -1.274 3.342) 6.500 11.725 ( 0.447 -4.779 4.745) 6.749 11.789 ( 6.859 -3.590 1.961) 7.986 11.925 ( -1.791 1.600 -1.799) 3.000 12.077 ( 2.142 6.486 -1.248) 6.944 12.223 ( 1.936 -2.317 1.991) 3.617 12.388 ( 0.855 -8.140 -4.116) 9.162 12.643 ( -1.592 1.257 -0.355) 2.059 12.940 ( -1.000 2.765 3.949) 4.924 12.964 ( -1.969 -3.206 0.179) 3.767 13.208 ( 4.720 -5.553 -4.650) 8.645 13.277 ( 0.485 -0.180 -1.877) 1.947 13.429 ( 1.593 -2.495 -2.267) 3.728 13.683 ( -4.407 -2.429 2.320) 5.541 13.731 ( -3.188 -0.686 0.704) 3.336 14.047 ( 9.297 -6.616 -3.507) 11.937 14.150 ( -0.936 -3.362 1.974) 4.010 14.339 ( 5.139 -10.854 -0.814) 12.037 14.922 ( -8.194 -4.119 2.497) 9.505 15.395 ( 4.221 -1.934 0.537) 4.674 15.625 ( 0.892 -8.133 -2.478) 8.549 15.891 ( -1.142 -7.081 -0.021) 7.172 16.018 ( -0.029 -1.877 7.253) 7.492 16.316 ( -7.495 -1.409 -0.840) 7.672 16.445 ( 6.258 1.125 1.964) 6.655 17.079 ( -18.792 10.431 6.026) 22.321 17.571 ( 1.251 -7.724 -12.553) 14.792 18.074 ( 8.449 2.565 6.110) 10.737 18.240 ( 1.375 0.188 -0.820) 1.612 19.704 ( -1.217 8.234 2.916) 8.819 20.803 ( -0.469 3.452 11.913) 12.412 20.929 ( 6.747 -13.798 -21.867) 26.722 21.890 ( -5.237 -8.438 7.875) 12.675 22.831 ( 2.774 5.507 -9.866) 11.634 24.618 ( -13.275 2.871 -2.256) 13.768 ======================= Grid point 24 (15/130) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 12.268 23.823 -0.071) 26.796 1.980 ( 16.828 29.202 -1.894) 33.757 2.661 ( -4.052 2.518 1.765) 5.087 2.900 ( 12.811 2.424 -8.730) 15.691 3.056 ( 10.223 5.044 2.532) 11.677 3.551 ( -3.581 -2.231 3.479) 5.469 3.760 ( 19.853 38.149 4.121) 43.203 4.299 ( 4.163 -15.024 -6.412) 16.857 4.527 ( -1.581 -7.907 2.600) 8.472 4.734 ( 3.507 -5.413 -1.576) 6.639 5.108 ( -1.047 -2.721 4.229) 5.137 5.193 ( 0.110 -0.529 -1.470) 1.566 5.286 ( -0.455 5.179 2.278) 5.676 5.585 ( -3.522 -1.296 -3.217) 4.942 5.657 ( 1.202 4.478 0.128) 4.638 5.748 ( 2.210 1.141 -1.397) 2.852 5.876 ( -2.798 8.952 -4.109) 10.239 5.964 ( -1.542 5.430 1.674) 5.888 6.083 ( 3.209 0.656 -1.577) 3.635 6.303 ( -2.072 8.134 -0.185) 8.396 6.444 ( -0.313 -0.263 0.805) 0.903 6.507 ( 2.079 3.056 6.179) 7.200 6.725 ( 1.932 4.111 -6.979) 8.327 6.900 ( 5.285 8.709 0.737) 10.214 7.052 ( -1.172 4.015 3.482) 5.442 7.243 ( 6.759 -0.491 -1.146) 6.873 7.422 ( -1.195 11.159 2.006) 11.401 7.642 ( 2.482 2.364 -1.688) 3.820 7.789 ( -4.713 15.869 -6.094) 17.640 7.881 ( -8.527 1.555 4.829) 9.922 7.966 ( -3.614 0.642 -0.808) 3.759 8.098 ( -0.454 -3.959 3.192) 5.106 8.248 ( -3.368 6.291 -0.229) 7.139 8.497 ( -0.766 5.590 1.514) 5.842 8.602 ( 1.455 8.287 -5.237) 9.911 8.769 ( 6.561 2.276 0.973) 7.012 8.880 ( -2.274 3.766 -2.855) 5.245 8.931 ( -2.958 3.022 0.443) 4.252 9.023 ( -2.330 7.141 -1.561) 7.672 9.068 ( -8.192 1.368 -1.839) 8.507 9.160 ( -3.584 4.956 4.432) 7.553 9.309 ( 2.068 0.234 -0.923) 2.276 9.455 ( -3.601 7.288 -7.235) 10.883 9.513 ( -0.309 1.932 0.685) 2.074 9.893 ( 2.224 1.483 -1.429) 3.031 9.934 ( -6.028 1.095 4.166) 7.409 10.208 ( -7.960 4.483 -5.094) 10.460 10.229 ( 1.632 -4.559 5.421) 7.268 10.348 ( -9.175 1.137 0.811) 9.281 10.487 ( -2.280 -4.871 4.457) 6.985 10.737 ( 0.290 -4.752 3.920) 6.168 10.791 ( -8.888 -1.950 -0.983) 9.152 11.027 ( -3.281 -5.806 -1.661) 6.873 11.189 ( -6.934 -0.061 -1.327) 7.060 11.439 ( -2.579 -2.536 -4.822) 6.028 11.482 ( -10.376 -4.964 7.418) 13.686 11.741 ( -8.812 -1.165 1.225) 8.973 11.771 ( -4.019 -1.024 2.983) 5.109 11.971 ( 4.919 -0.610 1.962) 5.330 12.072 ( -0.440 1.031 -1.048) 1.534 12.348 ( 8.910 -7.710 1.000) 11.825 12.442 ( 1.964 -3.395 -1.960) 4.384 12.589 ( -0.708 -3.829 -1.615) 4.216 12.849 ( -8.673 0.931 1.409) 8.836 12.970 ( 1.761 -2.841 -0.295) 3.355 13.219 ( 1.622 -4.450 -8.546) 9.771 13.374 ( 7.717 0.495 -1.256) 7.834 13.431 ( -1.496 -6.821 3.472) 7.799 13.623 ( -2.046 -2.795 1.815) 3.910 13.742 ( 3.090 -3.691 -1.192) 4.959 14.140 ( 2.604 -3.400 -1.771) 4.634 14.196 ( 4.965 -6.837 0.668) 8.476 14.441 ( 5.350 -7.364 -0.968) 9.154 14.811 ( -5.013 -3.985 2.817) 6.996 15.300 ( -9.232 -7.858 0.838) 12.153 15.805 ( 13.294 -1.202 3.425) 13.780 15.880 ( 0.837 -10.573 -6.908) 12.657 16.022 ( -4.466 -0.190 11.584) 12.417 16.132 ( -10.163 -1.222 1.631) 10.365 16.521 ( 0.132 7.971 0.009) 7.972 16.900 ( -1.809 12.177 5.698) 13.566 17.533 ( 1.173 -8.040 -13.288) 15.575 18.163 ( -1.119 5.392 5.230) 7.595 18.269 ( 1.541 0.785 -0.665) 1.853 19.685 ( -2.111 3.155 3.699) 5.300 20.850 ( 0.159 -3.029 13.103) 13.450 21.013 ( 11.465 -12.250 -25.122) 30.209 21.833 ( -4.112 -7.781 9.364) 12.851 22.813 ( -0.455 7.059 -11.288) 13.321 24.322 ( -16.565 8.182 -0.003) 18.476 ======================= Grid point 25 (16/130) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 8.829 10.640 0.673) 13.842 2.304 ( 17.686 18.315 -1.865) 25.529 2.642 ( 4.645 7.104 0.353) 8.495 3.130 ( 11.131 2.746 -2.437) 11.721 3.298 ( 12.698 3.688 2.423) 13.443 3.489 ( -2.999 -3.052 2.362) 4.888 4.159 ( 17.870 29.375 3.585) 34.570 4.255 ( -5.213 -8.316 -2.006) 10.017 4.495 ( -3.755 -12.520 -1.558) 13.164 4.812 ( 4.822 -9.460 -3.041) 11.045 5.134 ( 1.408 0.365 0.933) 1.728 5.184 ( 0.688 -0.137 3.705) 3.771 5.318 ( 4.186 1.009 -3.027) 5.263 5.478 ( -5.451 6.927 1.941) 9.025 5.643 ( -4.001 4.765 0.082) 6.223 5.791 ( 3.777 4.196 -8.385) 10.109 5.858 ( 2.609 3.151 -0.619) 4.137 5.954 ( 0.319 3.774 2.147) 4.354 6.153 ( -0.058 2.395 5.561) 6.056 6.281 ( 3.148 7.694 -4.341) 9.378 6.433 ( -0.541 0.269 1.667) 1.773 6.551 ( -0.385 -0.909 1.476) 1.776 6.765 ( 4.361 4.834 -5.643) 8.616 6.995 ( 3.174 6.014 -0.147) 6.802 7.063 ( 1.033 3.491 4.954) 6.148 7.297 ( 1.356 4.542 -2.452) 5.337 7.425 ( 0.494 15.110 2.466) 15.318 7.661 ( -1.088 7.927 -1.776) 8.196 7.676 ( -6.072 12.712 -2.940) 14.392 7.735 ( -6.802 -2.598 5.086) 8.881 7.873 ( -4.051 1.322 -3.886) 5.767 8.118 ( -0.446 0.354 3.273) 3.323 8.176 ( -3.571 8.326 0.072) 9.060 8.503 ( 0.784 7.255 2.340) 7.663 8.627 ( 3.014 8.774 -3.111) 9.785 8.773 ( -6.269 6.097 -0.171) 8.747 8.827 ( -4.294 3.370 -2.199) 5.885 8.896 ( 2.346 2.504 3.457) 4.871 8.943 ( 0.332 3.695 -3.146) 4.864 9.058 ( 1.419 3.378 -2.213) 4.280 9.112 ( -3.138 6.293 4.594) 8.400 9.316 ( -3.070 1.368 -5.046) 6.062 9.362 ( -2.530 5.754 -1.762) 6.528 9.517 ( 1.267 3.356 -2.311) 4.268 9.769 ( -12.159 4.073 -1.065) 12.868 9.859 ( -3.699 0.128 -1.885) 4.154 10.112 ( -0.685 4.254 -2.818) 5.148 10.129 ( -7.595 -0.422 0.706) 7.640 10.395 ( 2.446 -5.556 9.990) 11.690 10.427 ( -2.821 -6.876 5.207) 9.075 10.580 ( -10.043 -5.196 1.468) 11.403 10.773 ( -0.146 -2.399 -1.292) 2.728 10.970 ( -1.977 -3.511 -2.111) 4.549 11.072 ( -3.818 0.125 0.157) 3.823 11.235 ( -16.080 -3.318 -0.079) 16.419 11.427 ( 0.112 -3.496 -0.676) 3.563 11.541 ( -7.113 -1.289 0.080) 7.229 11.759 ( -1.973 -1.465 3.344) 4.150 11.988 ( -2.915 -6.215 0.182) 6.867 12.100 ( 2.349 1.660 0.662) 2.952 12.335 ( -6.320 1.283 -3.262) 7.227 12.481 ( 2.293 -3.206 -4.043) 5.647 12.675 ( 6.421 -3.007 2.123) 7.401 12.719 ( -3.883 3.220 4.789) 6.956 13.014 ( 3.142 -7.244 -4.143) 8.917 13.220 ( 1.601 -3.615 -3.057) 4.997 13.411 ( -1.644 -8.480 1.972) 8.860 13.494 ( 5.036 -0.351 -3.667) 6.240 13.635 ( 2.340 -6.725 3.147) 7.785 13.795 ( 2.879 -8.294 -3.191) 9.341 14.202 ( 3.594 -0.033 2.356) 4.298 14.285 ( 5.109 -9.432 -2.692) 11.060 14.516 ( 2.669 -5.262 -0.158) 5.902 14.716 ( -7.124 -3.154 1.333) 7.904 15.172 ( -4.296 -7.556 5.982) 10.551 15.783 ( -8.952 -4.187 -10.376) 14.329 15.958 ( -0.930 -9.381 2.790) 9.831 16.017 ( -0.717 -0.402 8.874) 8.912 16.096 ( 8.885 -0.926 7.632) 11.749 16.502 ( -0.232 17.164 -2.457) 17.341 16.961 ( 3.338 7.326 4.991) 9.472 17.534 ( 5.030 -5.768 -15.380) 17.179 18.092 ( -8.605 6.423 8.177) 13.497 18.292 ( 1.581 0.537 -1.697) 2.381 19.653 ( -2.487 0.779 1.958) 3.260 20.902 ( 0.356 -9.746 10.401) 14.258 21.141 ( 10.787 -8.829 -19.807) 24.221 21.808 ( -2.347 -5.566 8.617) 10.523 22.740 ( -2.745 7.065 -8.947) 11.726 24.030 ( -14.396 7.739 2.117) 16.481 ======================= Grid point 26 (17/130) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 2.657 3.316 0.867) 4.337 2.631 ( 17.789 5.670 -2.565) 18.846 2.824 ( 11.902 12.493 2.352) 17.415 3.249 ( 0.859 0.879 -3.829) 4.021 3.403 ( -3.951 -5.786 9.229) 11.588 3.569 ( 11.007 6.340 -1.958) 12.852 4.102 ( -4.527 -3.584 -5.197) 7.769 4.325 ( -9.985 -4.417 5.763) 12.346 4.500 ( 10.472 15.426 0.307) 18.647 4.814 ( -3.514 -5.696 -3.415) 7.513 5.160 ( 2.377 1.740 0.050) 2.946 5.287 ( 6.712 4.262 -2.229) 8.258 5.352 ( -1.823 7.605 2.885) 8.336 5.469 ( 2.716 3.123 -1.783) 4.507 5.558 ( -1.008 2.059 1.947) 3.008 5.860 ( 5.950 0.411 -10.200) 11.816 5.895 ( 0.226 0.218 2.212) 2.234 5.994 ( 3.198 5.776 0.347) 6.612 6.116 ( -3.685 1.637 5.788) 7.054 6.361 ( 4.335 3.395 -2.286) 5.962 6.416 ( -2.821 -3.513 3.622) 5.781 6.521 ( -1.809 3.247 -3.162) 4.880 6.802 ( -0.006 -4.062 -1.160) 4.225 7.017 ( -0.375 4.118 2.752) 4.967 7.106 ( 3.196 9.954 -4.271) 11.293 7.324 ( 0.867 12.197 4.422) 13.002 7.451 ( 0.567 11.892 1.959) 12.065 7.548 ( -4.239 5.156 -0.087) 6.675 7.602 ( -2.312 11.602 -4.813) 12.772 7.686 ( -2.378 -0.504 3.719) 4.443 7.804 ( -1.701 2.559 -2.841) 4.185 8.095 ( -2.734 3.680 2.452) 5.199 8.133 ( -0.322 9.544 -1.371) 9.647 8.536 ( 1.569 9.089 0.615) 9.244 8.688 ( 3.361 5.825 -0.284) 6.731 8.723 ( 0.346 6.608 4.518) 8.013 8.753 ( -1.633 6.202 -2.715) 6.964 8.863 ( -3.099 3.958 -1.213) 5.171 9.016 ( 3.706 5.011 1.036) 6.318 9.059 ( -2.169 5.340 0.788) 5.818 9.076 ( -1.574 5.947 3.120) 6.897 9.179 ( -7.116 0.811 -6.654) 9.776 9.303 ( -4.093 2.997 -1.453) 5.277 9.492 ( -5.498 2.176 -4.613) 7.499 9.582 ( -1.407 2.169 -1.708) 3.099 9.848 ( 2.715 0.879 0.103) 2.856 10.033 ( -2.068 1.285 -0.396) 2.467 10.107 ( -0.259 5.575 -0.038) 5.581 10.276 ( -8.631 -5.174 2.589) 10.391 10.429 ( -5.996 -6.588 0.870) 8.950 10.560 ( 4.919 -7.341 8.498) 12.260 10.755 ( -1.383 -0.861 -1.832) 2.451 10.902 ( -8.290 -0.255 -1.334) 8.401 10.951 ( -4.709 -3.909 -0.721) 6.162 11.068 ( -0.828 -3.702 1.458) 4.064 11.424 ( -0.280 -3.643 -0.196) 3.659 11.462 ( -2.155 -3.905 -0.786) 4.529 11.733 ( -0.906 0.130 0.034) 0.916 11.907 ( -4.846 -5.304 0.159) 7.186 12.114 ( -0.584 -0.091 -0.072) 0.596 12.247 ( -1.687 4.853 -2.412) 5.675 12.463 ( -1.218 0.951 -1.549) 2.188 12.728 ( 1.266 0.570 3.477) 3.744 12.765 ( 1.244 1.529 2.892) 3.500 13.054 ( 3.144 -6.947 -2.460) 8.012 13.286 ( 5.678 -7.448 -1.073) 9.427 13.388 ( -0.420 -3.024 -1.088) 3.241 13.520 ( -1.297 -9.138 -1.165) 9.303 13.710 ( 3.705 -7.895 0.967) 8.774 13.825 ( 2.030 -9.191 -3.533) 10.054 14.272 ( 2.580 0.818 2.057) 3.399 14.366 ( 4.249 -9.213 -3.077) 10.602 14.512 ( -6.045 -5.466 4.420) 9.271 14.589 ( -2.401 -2.618 -2.272) 4.217 15.195 ( 2.941 -5.125 9.407) 11.109 15.556 ( -10.122 -2.672 -8.772) 13.658 15.971 ( 2.929 -12.511 -9.342) 15.886 16.003 ( -4.056 -1.977 15.862) 16.491 16.307 ( 8.237 -0.144 5.879) 10.121 16.496 ( 0.446 20.784 -3.762) 21.127 17.021 ( 1.470 3.880 2.156) 4.676 17.603 ( 8.274 -1.403 -15.021) 17.206 17.935 ( -11.283 5.176 10.893) 16.515 18.313 ( 1.145 0.452 -1.278) 1.775 19.613 ( -1.988 1.334 0.422) 2.431 20.939 ( 0.111 -15.495 6.261) 16.713 21.246 ( 6.462 -4.660 -11.515) 14.002 21.805 ( -1.076 -3.346 5.637) 6.643 22.661 ( -2.308 6.003 -5.011) 8.153 23.819 ( -8.460 5.333 1.953) 10.189 ======================= Grid point 27 (18/130) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 0.000 2.758 0.000) 2.758 2.824 ( -0.000 5.757 -0.000) 5.757 3.080 ( -0.000 8.640 -0.000) 8.640 3.096 ( 0.000 -2.368 0.000) 2.368 3.379 ( 0.000 -2.735 0.000) 2.735 3.695 ( -0.000 1.170 -0.000) 1.170 4.080 ( 0.000 2.320 0.000) 2.320 4.181 ( -0.000 -6.695 0.000) 6.695 4.628 ( -0.000 16.959 -0.000) 16.959 4.738 ( 0.000 -4.520 0.000) 4.520 5.186 ( -0.000 3.940 0.000) 3.940 5.324 ( -0.000 11.775 -0.000) 11.775 5.376 ( -0.000 6.079 0.000) 6.079 5.428 ( 0.000 6.982 -0.000) 6.982 5.658 ( 0.000 -9.326 0.000) 9.326 5.812 ( -0.000 1.828 0.000) 1.828 5.948 ( 0.000 -3.671 -0.000) 3.671 6.065 ( -0.000 6.306 0.000) 6.306 6.076 ( 0.000 3.468 -0.000) 3.468 6.365 ( -0.000 -9.177 0.000) 9.177 6.416 ( 0.000 4.873 -0.000) 4.873 6.486 ( -0.000 5.136 -0.000) 5.136 6.784 ( 0.000 -6.703 0.000) 6.703 7.019 ( 0.000 4.370 0.000) 4.370 7.139 ( -0.000 10.541 0.000) 10.541 7.333 ( -0.000 16.530 -0.000) 16.530 7.453 ( 0.000 -1.187 -0.000) 1.187 7.543 ( 0.000 22.863 0.000) 22.863 7.554 ( 0.000 0.969 -0.000) 0.969 7.667 ( 0.000 0.932 0.000) 0.932 7.786 ( 0.000 2.884 0.000) 2.884 8.066 ( 0.000 5.110 -0.000) 5.110 8.137 ( 0.000 10.697 0.000) 10.697 8.555 ( 0.000 10.851 -0.000) 10.851 8.694 ( 0.000 1.866 0.000) 1.866 8.750 ( -0.000 1.243 -0.000) 1.243 8.781 ( 0.000 10.896 0.000) 10.896 8.835 ( 0.000 7.252 -0.000) 7.252 8.977 ( 0.000 15.565 0.000) 15.565 9.047 ( 0.000 1.674 -0.000) 1.674 9.089 ( -0.000 8.490 0.000) 8.490 9.092 ( 0.000 -6.462 -0.000) 6.462 9.245 ( 0.000 0.666 0.000) 0.666 9.425 ( 0.000 3.983 -0.000) 3.983 9.578 ( 0.000 -1.348 -0.000) 1.348 9.897 ( -0.000 0.806 0.000) 0.806 10.035 ( 0.000 2.731 0.000) 2.731 10.103 ( 0.000 5.257 -0.000) 5.257 10.167 ( 0.000 -2.316 0.000) 2.316 10.374 ( 0.000 -6.958 0.000) 6.958 10.651 ( 0.000 -6.575 0.000) 6.575 10.677 ( -0.000 -4.155 -0.000) 4.155 10.829 ( -0.000 0.862 -0.000) 0.862 10.920 ( -0.000 -2.198 0.000) 2.198 11.067 ( 0.000 -5.095 0.000) 5.095 11.428 ( 0.000 -4.214 -0.000) 4.214 11.431 ( 0.000 -5.016 0.000) 5.016 11.728 ( -0.000 1.013 -0.000) 1.013 11.852 ( 0.000 -3.868 0.000) 3.868 12.108 ( 0.000 0.518 -0.000) 0.518 12.227 ( 0.000 4.853 -0.000) 4.853 12.449 ( 0.000 1.074 0.000) 1.074 12.750 ( 0.000 0.326 0.000) 0.326 12.772 ( 0.000 3.194 -0.000) 3.194 13.090 ( 0.000 -8.008 -0.000) 8.008 13.340 ( 0.000 5.094 0.000) 5.094 13.432 ( 0.000 -18.846 0.000) 18.846 13.455 ( -0.000 -8.146 0.000) 8.146 13.750 ( 0.000 -10.060 -0.000) 10.060 13.842 ( -0.000 -6.177 0.000) 6.177 14.303 ( 0.000 0.808 0.000) 0.808 14.399 ( 0.000 -4.454 -0.000) 4.454 14.435 ( -0.000 -9.950 0.000) 9.950 14.578 ( 0.000 -2.861 -0.000) 2.861 15.303 ( -0.000 -1.571 -0.000) 1.571 15.384 ( 0.000 -5.292 0.000) 5.292 15.985 ( -0.000 -14.415 0.000) 14.415 15.993 ( 0.000 -0.723 -0.000) 0.723 16.410 ( 0.000 -2.080 0.000) 2.080 16.484 ( 0.000 23.264 -0.000) 23.264 17.038 ( 0.000 2.582 0.000) 2.582 17.688 ( 0.000 2.170 -0.000) 2.170 17.811 ( -0.000 3.185 0.000) 3.185 18.322 ( 0.000 0.446 0.000) 0.446 19.593 ( 0.000 1.920 -0.000) 1.920 20.952 ( 0.000 -17.854 0.000) 17.854 21.286 ( 0.000 -2.664 -0.000) 2.664 21.806 ( 0.000 -2.493 0.000) 2.493 22.628 ( 0.000 5.408 0.000) 5.408 23.741 ( 0.000 4.114 -0.000) 4.114 ======================= Grid point 33 (19/130) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 0.000 18.478 0.000) 18.478 2.192 ( 0.000 27.965 0.000) 27.965 2.642 ( 0.000 1.389 0.000) 1.389 2.966 ( 0.000 -7.705 0.000) 7.705 3.326 ( 0.000 10.414 0.000) 10.414 3.468 ( 0.000 -1.966 0.000) 1.966 3.861 ( 0.000 -14.194 0.000) 14.194 4.176 ( 0.000 49.785 0.000) 49.785 4.475 ( 0.000 -4.153 0.000) 4.153 4.733 ( 0.000 0.929 0.000) 0.929 5.069 ( 0.000 -1.106 0.000) 1.106 5.125 ( 0.000 -3.810 0.000) 3.810 5.486 ( 0.000 -10.639 0.000) 10.639 5.519 ( 0.000 9.076 0.000) 9.076 5.667 ( 0.000 -0.355 0.000) 0.355 5.873 ( 0.000 1.931 0.000) 1.931 5.934 ( 0.000 -4.232 0.000) 4.232 5.993 ( 0.000 1.247 0.000) 1.247 6.164 ( 0.000 -0.662 0.000) 0.662 6.267 ( 0.000 7.616 0.000) 7.616 6.479 ( 0.000 6.022 0.000) 6.022 6.672 ( 0.000 -3.999 0.000) 3.999 6.850 ( 0.000 4.440 0.000) 4.440 6.912 ( 0.000 8.106 0.000) 8.106 6.957 ( 0.000 3.950 0.000) 3.950 7.181 ( 0.000 0.312 0.000) 0.312 7.479 ( 0.000 3.347 0.000) 3.347 7.657 ( 0.000 -0.960 0.000) 0.960 7.838 ( 0.000 -4.347 0.000) 4.347 7.945 ( 0.000 -3.914 0.000) 3.914 8.162 ( 0.000 0.802 0.000) 0.802 8.179 ( 0.000 7.633 0.000) 7.633 8.340 ( 0.000 4.131 0.000) 4.131 8.515 ( 0.000 -4.680 0.000) 4.680 8.653 ( 0.000 3.212 0.000) 3.212 8.831 ( 0.000 10.201 0.000) 10.201 8.877 ( 0.000 1.117 0.000) 1.117 9.092 ( 0.000 -1.286 0.000) 1.286 9.127 ( 0.000 -0.903 0.000) 0.903 9.147 ( 0.000 -1.749 0.000) 1.749 9.267 ( 0.000 -1.612 0.000) 1.612 9.374 ( 0.000 -3.106 0.000) 3.106 9.562 ( 0.000 19.825 0.000) 19.825 9.787 ( 0.000 5.811 0.000) 5.811 9.964 ( 0.000 8.388 0.000) 8.388 10.025 ( 0.000 -1.346 0.000) 1.346 10.231 ( 0.000 1.852 0.000) 1.852 10.308 ( 0.000 -2.226 0.000) 2.226 10.452 ( 0.000 -3.910 0.000) 3.910 10.496 ( 0.000 -8.398 0.000) 8.398 10.740 ( 0.000 -7.941 0.000) 7.941 10.881 ( 0.000 -0.621 0.000) 0.621 11.025 ( 0.000 -5.458 0.000) 5.458 11.267 ( 0.000 0.228 0.000) 0.228 11.555 ( 0.000 4.466 0.000) 4.466 11.621 ( 0.000 3.625 0.000) 3.625 11.710 ( 0.000 -0.410 0.000) 0.410 11.744 ( 0.000 -2.256 0.000) 2.256 11.848 ( 0.000 -8.094 0.000) 8.094 12.160 ( 0.000 -0.546 0.000) 0.546 12.237 ( 0.000 0.047 0.000) 0.047 12.343 ( 0.000 8.290 0.000) 8.290 12.644 ( 0.000 -2.108 0.000) 2.108 12.961 ( 0.000 -11.355 0.000) 11.355 12.982 ( 0.000 5.838 0.000) 5.838 13.194 ( 0.000 4.337 0.000) 4.337 13.274 ( 0.000 4.255 0.000) 4.255 13.396 ( 0.000 3.578 0.000) 3.578 13.662 ( 0.000 -4.181 0.000) 4.181 13.718 ( 0.000 -13.180 0.000) 13.180 13.809 ( 0.000 -1.125 0.000) 1.125 14.060 ( 0.000 -4.361 0.000) 4.361 14.063 ( 0.000 -7.167 0.000) 7.167 15.034 ( 0.000 2.951 0.000) 2.951 15.309 ( 0.000 3.021 0.000) 3.021 15.401 ( 0.000 -14.462 0.000) 14.462 15.813 ( 0.000 -3.636 0.000) 3.636 15.939 ( 0.000 -2.525 0.000) 2.525 16.358 ( 0.000 -1.315 0.000) 1.315 16.375 ( 0.000 0.628 0.000) 0.628 17.330 ( 0.000 -1.409 0.000) 1.409 17.557 ( 0.000 0.712 0.000) 0.712 17.919 ( 0.000 -0.138 0.000) 0.138 18.236 ( 0.000 0.323 0.000) 0.323 19.938 ( 0.000 11.261 0.000) 11.261 20.641 ( 0.000 -13.024 0.000) 13.024 20.907 ( 0.000 5.879 0.000) 5.879 21.761 ( 0.000 -7.897 0.000) 7.897 22.886 ( 0.000 2.388 0.000) 2.388 24.708 ( 0.000 -2.164 0.000) 2.164 ======================= Grid point 34 (20/130) ======================= q-point: ( 0.10 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 14.459 19.802 0.119) 24.519 2.283 ( 11.747 25.802 -3.449) 28.559 2.738 ( 9.263 2.858 0.528) 9.708 2.844 ( -8.374 -3.575 -7.715) 11.934 3.207 ( -8.348 10.587 -1.567) 13.573 3.549 ( 2.147 -1.834 2.070) 3.501 3.795 ( 0.291 -16.165 -6.724) 17.511 4.321 ( 9.568 37.187 6.395) 38.927 4.443 ( -3.215 -3.118 0.073) 4.479 4.716 ( -1.706 1.182 0.610) 2.163 5.057 ( -2.348 -3.101 3.091) 4.969 5.130 ( 1.159 -2.238 -0.477) 2.565 5.429 ( -4.578 -3.055 2.456) 6.027 5.529 ( 1.014 1.425 -0.729) 1.894 5.715 ( 3.077 0.407 4.447) 5.423 5.837 ( -1.076 3.437 -11.277) 11.838 5.896 ( -1.991 -1.693 1.345) 2.940 6.018 ( 0.836 -1.297 1.048) 1.865 6.214 ( 4.497 -2.146 3.450) 6.061 6.284 ( 1.121 9.684 -2.516) 10.068 6.480 ( -0.649 5.152 -0.468) 5.214 6.724 ( 6.557 -1.243 -7.129) 9.765 6.761 ( -6.334 9.937 7.491) 13.963 6.961 ( 2.374 4.809 -0.030) 5.363 7.054 ( 6.154 -0.217 3.808) 7.240 7.162 ( -0.247 2.067 2.119) 2.971 7.514 ( 3.789 2.722 -2.157) 5.140 7.626 ( -2.126 -1.589 -2.030) 3.342 7.870 ( 3.283 -3.175 2.552) 5.232 7.977 ( 0.693 -0.848 0.131) 1.103 8.121 ( -3.743 2.740 -1.302) 4.818 8.188 ( -1.048 8.001 0.850) 8.114 8.315 ( 0.831 0.265 -1.380) 1.633 8.592 ( 5.236 -1.528 0.413) 5.470 8.613 ( -2.568 2.553 0.183) 3.626 8.820 ( -0.334 7.299 -0.497) 7.324 8.911 ( 2.355 2.863 2.110) 4.266 9.028 ( -4.267 1.056 -1.547) 4.660 9.133 ( -0.194 -1.275 0.838) 1.538 9.168 ( 1.037 -1.697 2.759) 3.401 9.283 ( -1.519 -1.281 -5.152) 5.522 9.364 ( 1.721 0.797 1.725) 2.564 9.577 ( 0.434 16.825 2.385) 16.999 9.718 ( -4.540 5.644 -7.961) 10.763 9.932 ( -2.347 7.577 1.587) 8.089 10.017 ( -1.369 -0.219 1.627) 2.138 10.189 ( -4.143 -1.178 1.612) 4.599 10.337 ( 1.437 -5.731 0.833) 5.967 10.429 ( -5.096 0.180 -1.190) 5.236 10.517 ( 0.480 -5.810 1.219) 5.955 10.652 ( -3.685 -0.289 -0.205) 3.702 10.856 ( -1.885 -5.802 -0.681) 6.138 10.950 ( -7.355 -6.734 -2.262) 10.225 11.264 ( -2.324 -0.136 1.862) 2.981 11.472 ( -6.983 -1.033 -1.189) 7.158 11.626 ( -10.258 -2.265 1.599) 10.626 11.694 ( 3.239 3.275 8.726) 9.867 11.761 ( 6.017 0.314 -0.365) 6.036 11.891 ( 1.614 -3.904 1.350) 4.435 12.139 ( -5.788 -2.025 -0.876) 6.194 12.238 ( 3.087 -2.762 -0.548) 4.178 12.330 ( 0.927 9.558 -3.466) 10.209 12.596 ( -4.404 -3.462 -1.541) 5.810 12.919 ( -2.781 -7.719 0.892) 8.253 13.025 ( 0.417 6.134 -0.426) 6.163 13.098 ( -1.934 -1.141 -2.161) 3.117 13.374 ( -1.696 2.236 -1.485) 3.175 13.389 ( 4.233 4.162 -0.990) 6.018 13.580 ( -3.010 -6.118 1.026) 6.895 13.695 ( -3.364 -4.552 -1.026) 5.752 13.892 ( 6.924 -6.101 -0.999) 9.283 14.033 ( 1.539 -6.875 -1.701) 7.248 14.182 ( 7.171 -4.273 2.105) 8.609 14.920 ( -8.177 3.777 3.089) 9.522 15.277 ( -7.290 -10.720 -0.530) 12.975 15.528 ( 13.962 0.205 0.806) 13.986 15.733 ( -3.681 -6.728 -9.532) 12.234 15.999 ( 0.790 -0.726 13.221) 13.265 16.284 ( -7.647 -1.418 -0.111) 7.779 16.470 ( 7.962 0.987 2.419) 8.380 17.225 ( -9.599 4.842 1.110) 10.809 17.433 ( -3.249 -5.606 -12.280) 13.885 18.121 ( 11.464 1.808 7.007) 13.557 18.244 ( 1.228 0.176 -1.325) 1.815 19.888 ( -6.281 8.919 4.789) 11.913 20.641 ( 2.216 -11.397 -8.048) 14.127 20.925 ( 1.707 4.894 0.772) 5.240 21.722 ( -5.241 -7.304 10.850) 14.090 22.920 ( 5.249 3.013 -13.557) 14.847 24.618 ( -9.679 -1.299 2.111) 9.991 ======================= Grid point 35 (21/130) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 4.272 19.586 -6.716) 21.141 2.548 ( 10.484 22.147 -3.130) 24.702 2.711 ( 0.656 5.761 -4.261) 7.196 2.967 ( 14.990 3.689 -2.034) 15.571 3.156 ( 5.342 4.016 3.747) 7.662 3.473 ( -6.084 -5.699 -3.706) 9.123 3.906 ( 10.298 -17.523 -4.658) 20.852 4.346 ( -6.754 -8.907 8.293) 13.919 4.529 ( 9.651 30.351 -0.277) 31.849 4.683 ( -1.229 0.016 -2.205) 2.524 5.024 ( -1.346 -3.994 3.674) 5.592 5.151 ( -0.145 -2.997 2.235) 3.741 5.373 ( -1.588 1.056 1.437) 2.388 5.561 ( 2.241 -1.459 0.913) 2.826 5.754 ( -0.622 3.456 -5.298) 6.356 5.793 ( -0.614 4.340 0.362) 4.398 5.892 ( 2.474 -2.462 1.309) 3.728 6.039 ( 0.515 0.477 -3.853) 3.916 6.257 ( 0.498 11.535 -3.712) 12.127 6.334 ( 4.005 -4.900 3.670) 7.316 6.439 ( -2.580 3.708 -3.131) 5.497 6.687 ( -4.769 11.144 10.230) 15.861 6.846 ( 6.633 5.845 -5.435) 10.378 7.018 ( 4.228 2.780 -2.139) 5.494 7.077 ( -2.061 -1.550 6.955) 7.417 7.265 ( 6.445 2.546 0.743) 6.969 7.561 ( 1.019 1.724 0.046) 2.003 7.618 ( 2.649 -2.055 -1.361) 3.618 7.938 ( -4.317 2.218 -0.605) 4.892 7.956 ( 1.391 1.515 1.653) 2.638 8.049 ( -0.023 2.417 -1.751) 2.985 8.112 ( -5.157 7.863 -1.059) 9.463 8.362 ( 1.051 5.354 1.102) 5.566 8.558 ( -1.418 0.373 3.989) 4.250 8.704 ( 4.960 1.791 -5.588) 7.683 8.832 ( 1.257 1.145 4.064) 4.405 8.947 ( -2.601 1.934 1.247) 3.472 8.968 ( 1.553 4.315 -1.722) 4.899 9.089 ( -7.544 2.097 0.971) 7.890 9.155 ( 0.471 2.577 -1.957) 3.270 9.257 ( 2.146 0.626 -3.964) 4.551 9.400 ( -1.041 6.462 3.211) 7.291 9.586 ( -0.163 6.623 2.144) 6.963 9.605 ( -3.073 9.560 -8.072) 12.883 9.911 ( -1.355 0.693 -0.213) 1.537 9.985 ( -2.639 4.103 2.920) 5.686 10.124 ( -3.890 -6.175 5.166) 8.941 10.259 ( -8.262 0.950 -5.919) 10.208 10.330 ( -2.668 -7.745 1.535) 8.334 10.428 ( -8.098 3.846 -2.226) 9.237 10.655 ( -3.695 -3.733 4.610) 6.988 10.749 ( -8.722 -4.125 0.907) 9.691 10.889 ( 4.312 -5.138 1.140) 6.804 11.185 ( -5.541 -0.418 -1.781) 5.836 11.344 ( -5.389 -4.986 -1.990) 7.607 11.406 ( -12.326 -3.033 0.953) 12.729 11.742 ( -4.019 2.342 4.082) 6.189 11.789 ( -4.609 2.647 2.262) 5.776 11.921 ( -1.462 -3.860 -0.026) 4.128 12.051 ( 2.239 -3.330 2.871) 4.934 12.301 ( 4.808 0.066 -2.630) 5.481 12.390 ( 2.872 -1.484 -1.323) 3.493 12.507 ( -0.263 -0.224 -3.841) 3.857 12.866 ( -4.797 -1.314 6.938) 8.536 12.984 ( -2.015 -1.101 -4.455) 5.012 13.102 ( 1.892 -1.173 -5.500) 5.933 13.310 ( -4.845 -3.711 -0.792) 6.155 13.414 ( 1.885 1.130 1.447) 2.631 13.589 ( -0.798 -0.492 1.925) 2.141 13.635 ( -0.079 -6.920 -5.207) 8.661 14.016 ( 6.859 -5.256 -2.304) 8.944 14.092 ( 4.363 -4.406 1.024) 6.285 14.318 ( 6.056 -4.356 1.351) 7.581 14.808 ( -5.443 3.643 3.008) 7.207 15.125 ( -7.580 -8.561 1.998) 11.607 15.643 ( -1.560 -10.614 -9.302) 14.199 15.818 ( 14.797 1.758 3.668) 15.346 16.021 ( -4.786 0.186 12.300) 13.200 16.096 ( -11.100 -2.035 2.443) 11.546 16.630 ( 7.815 3.179 -0.332) 8.443 17.109 ( -1.791 7.974 -0.307) 8.178 17.374 ( 1.802 -7.113 -11.834) 13.924 18.248 ( 1.282 2.276 0.583) 2.676 18.292 ( 1.467 1.607 3.949) 4.509 19.765 ( -8.159 4.037 7.842) 12.015 20.670 ( 4.402 -8.835 -11.424) 15.098 20.979 ( 3.972 2.277 0.405) 4.596 21.686 ( -3.196 -6.010 13.331) 14.968 22.934 ( 2.018 4.412 -17.012) 17.691 24.386 ( -15.454 0.087 3.899) 15.938 ======================= Grid point 36 (22/130) ======================= q-point: ( 0.30 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -1.877 10.175 -9.422) 13.994 2.637 ( 4.129 13.875 -2.939) 14.772 2.858 ( 12.242 11.265 0.878) 16.659 3.199 ( 7.274 3.277 3.219) 8.604 3.306 ( 1.072 -3.311 0.263) 3.490 3.464 ( 11.774 0.882 -3.282) 12.255 4.050 ( 5.013 -9.202 -2.881) 10.868 4.258 ( -5.288 -10.039 6.053) 12.860 4.665 ( -0.038 -3.021 -1.411) 3.335 4.712 ( 11.134 20.229 -3.208) 23.313 5.066 ( 4.777 -4.644 2.953) 7.287 5.145 ( -0.566 -2.702 5.898) 6.512 5.387 ( 2.871 3.933 -2.786) 5.611 5.601 ( 0.797 0.745 1.196) 1.619 5.693 ( -3.134 3.293 -0.065) 4.546 5.807 ( 1.932 -1.920 -6.339) 6.900 5.922 ( -1.182 4.296 -2.100) 4.926 6.026 ( 1.525 2.342 0.849) 2.921 6.255 ( -0.652 4.310 -4.212) 6.062 6.349 ( -2.274 -1.993 -1.224) 3.262 6.451 ( 3.842 4.594 2.999) 6.698 6.650 ( -3.307 8.465 8.237) 12.265 6.834 ( -5.293 1.287 -1.083) 5.554 7.065 ( 0.534 1.114 2.873) 3.127 7.175 ( 9.697 6.586 -3.172) 12.144 7.360 ( 4.106 2.065 0.342) 4.609 7.562 ( -2.189 -1.355 1.436) 2.948 7.661 ( 1.202 -0.186 1.312) 1.789 7.834 ( -6.056 6.252 1.241) 8.792 7.881 ( -5.351 2.905 -2.257) 6.494 8.020 ( -1.713 12.370 -5.937) 13.828 8.147 ( 4.372 3.011 3.840) 6.552 8.344 ( -2.104 7.815 2.344) 8.426 8.588 ( 2.174 0.421 3.773) 4.375 8.709 ( -2.038 0.048 -2.141) 2.956 8.874 ( -3.074 0.299 -0.437) 3.119 8.907 ( 3.271 1.489 1.001) 3.730 8.955 ( -1.547 5.664 1.208) 5.994 9.027 ( 1.362 5.391 -3.989) 6.843 9.180 ( 1.689 6.658 1.337) 6.998 9.226 ( -3.548 5.691 -5.050) 8.395 9.401 ( 0.621 3.543 2.123) 4.177 9.500 ( -5.020 8.260 -5.554) 11.147 9.607 ( 0.052 5.807 -0.749) 5.855 9.853 ( -10.484 1.711 -1.904) 10.792 9.875 ( -2.287 3.242 1.794) 4.354 10.097 ( -7.000 -1.352 -3.318) 7.864 10.138 ( 1.999 -3.524 1.244) 4.238 10.259 ( -5.639 -7.880 3.944) 10.462 10.310 ( -3.062 -2.534 5.143) 6.499 10.463 ( -10.589 -5.902 1.293) 12.192 10.727 ( -0.113 -2.300 4.725) 5.256 10.953 ( 0.572 2.828 -3.524) 4.554 11.079 ( -3.397 0.512 -1.498) 3.748 11.137 ( -15.650 -4.790 1.126) 16.405 11.313 ( 1.020 -7.389 -2.095) 7.747 11.556 ( -9.260 2.030 -1.292) 9.568 11.765 ( -2.074 1.929 3.682) 4.646 11.862 ( -3.091 -5.500 -1.848) 6.574 12.096 ( -1.176 -2.594 1.497) 3.217 12.344 ( -0.531 -1.731 -4.136) 4.515 12.425 ( 6.259 -0.261 -2.648) 6.801 12.630 ( 9.113 -0.046 1.607) 9.253 12.779 ( -5.890 1.456 5.303) 8.058 12.942 ( -0.784 -0.330 0.078) 0.854 13.147 ( 4.225 -3.524 -5.142) 7.531 13.217 ( -3.776 -6.373 1.115) 7.491 13.433 ( -1.718 -6.497 -1.873) 6.977 13.583 ( 2.290 -0.417 0.010) 2.328 13.634 ( 0.567 -6.337 -3.623) 7.321 14.124 ( 5.394 -5.030 -2.543) 7.802 14.189 ( 5.135 -1.347 1.372) 5.483 14.409 ( 2.924 -4.365 1.884) 5.581 14.693 ( -8.423 0.377 1.351) 8.539 15.063 ( -0.215 -2.161 6.341) 6.703 15.592 ( -1.196 -11.967 -7.849) 14.361 15.844 ( -11.123 -2.320 0.220) 11.365 16.005 ( -3.753 -0.700 10.588) 11.255 16.099 ( 11.875 1.101 5.380) 13.084 16.761 ( 7.211 7.692 -3.778) 11.200 17.099 ( -1.429 5.400 2.232) 6.015 17.427 ( 9.240 -4.029 -14.123) 17.351 18.207 ( -9.022 4.430 8.490) 13.157 18.298 ( 1.232 0.012 -1.615) 2.031 19.673 ( -4.377 1.058 5.839) 7.374 20.692 ( 1.650 -7.962 -7.886) 11.327 21.080 ( 6.722 -0.372 -1.665) 6.935 21.701 ( -0.742 -4.395 11.805) 12.618 22.868 ( -2.045 4.969 -14.565) 15.525 24.103 ( -15.564 0.660 4.456) 16.203 ======================= Grid point 37 (23/130) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 0.193 3.303 -5.283) 6.234 2.732 ( 6.585 5.167 -2.844) 8.840 3.081 ( 9.254 9.546 4.164) 13.932 3.281 ( 0.834 -3.451 6.218) 7.160 3.296 ( -0.449 0.964 -4.347) 4.475 3.658 ( 7.095 2.406 -2.624) 7.938 4.068 ( -0.566 -0.017 -0.301) 0.641 4.201 ( -2.820 -4.601 2.125) 5.800 4.648 ( -1.879 -4.937 0.689) 5.327 4.884 ( 7.086 12.728 -4.407) 15.219 5.204 ( 7.850 3.093 0.504) 8.453 5.261 ( 10.439 -5.267 7.583) 13.936 5.443 ( 4.643 4.583 -4.354) 7.843 5.569 ( -4.088 5.230 -0.768) 6.682 5.641 ( -3.953 1.304 2.300) 4.756 5.804 ( 1.238 -4.724 -6.199) 7.891 5.888 ( -0.654 1.849 -3.087) 3.657 6.086 ( 2.775 2.596 2.278) 4.431 6.201 ( -2.229 3.338 -2.126) 4.542 6.289 ( -4.439 -3.751 -1.092) 5.914 6.522 ( 1.329 7.087 5.709) 9.197 6.622 ( -1.503 5.782 0.805) 6.028 6.725 ( -4.760 -2.447 0.709) 5.399 7.073 ( -0.738 0.426 2.576) 2.713 7.309 ( 5.549 8.553 -5.042) 11.374 7.416 ( 0.331 0.728 0.754) 1.099 7.516 ( -0.241 -1.432 -0.193) 1.465 7.665 ( -1.631 2.615 2.977) 4.285 7.729 ( -6.070 7.590 2.676) 10.080 7.801 ( -1.740 -1.354 -1.661) 2.760 7.986 ( -0.145 16.112 -5.044) 16.884 8.189 ( -0.981 5.299 2.174) 5.811 8.357 ( 2.886 10.757 2.619) 11.441 8.653 ( 2.667 0.151 4.239) 5.011 8.683 ( 1.234 -0.640 -0.585) 1.508 8.816 ( -2.106 3.502 -1.913) 4.512 8.920 ( -4.197 -1.834 1.269) 4.753 8.992 ( 4.404 6.756 0.139) 8.066 9.034 ( 0.410 4.550 -1.469) 4.799 9.143 ( -1.294 6.399 -6.501) 9.213 9.225 ( 1.734 8.481 3.384) 9.294 9.366 ( -5.681 3.178 -5.568) 8.566 9.383 ( -4.606 10.960 1.116) 11.941 9.572 ( -1.507 6.132 -4.387) 7.689 9.655 ( -7.628 4.034 0.154) 8.630 9.898 ( 2.830 4.028 2.137) 5.367 10.005 ( -0.591 -3.972 -2.239) 4.598 10.127 ( -5.174 -6.063 2.369) 8.315 10.196 ( -1.085 -1.205 1.033) 1.922 10.252 ( -4.243 -8.998 0.722) 9.975 10.417 ( 2.105 -5.984 10.219) 12.028 10.720 ( -2.975 -1.819 -0.926) 3.608 10.836 ( -12.488 -5.546 -1.009) 13.701 10.925 ( -0.861 0.668 -2.612) 2.830 11.045 ( -1.013 2.791 -1.272) 3.230 11.335 ( 0.982 -4.374 -0.668) 4.532 11.445 ( -3.114 1.775 0.532) 3.623 11.742 ( -1.030 -0.556 0.871) 1.459 11.801 ( -2.487 -4.631 -1.795) 5.555 12.057 ( -1.546 -4.944 -0.912) 5.259 12.346 ( 1.048 4.268 -1.138) 4.539 12.468 ( -0.271 -0.035 -3.138) 3.149 12.721 ( 0.011 -1.912 3.407) 3.907 12.806 ( 5.276 1.805 3.654) 6.667 12.951 ( 0.907 -1.928 0.123) 2.134 13.114 ( -2.785 -4.593 0.234) 5.376 13.271 ( 4.760 -8.473 -1.365) 9.813 13.385 ( -0.313 -4.990 -2.163) 5.448 13.582 ( -2.755 -5.268 -1.350) 6.096 13.670 ( 3.694 -5.465 -2.470) 7.044 14.200 ( 3.840 -6.138 -2.573) 7.684 14.278 ( 3.467 -0.206 0.778) 3.559 14.432 ( -2.386 -2.301 3.548) 4.855 14.543 ( -5.647 -1.521 0.280) 5.855 15.144 ( 5.128 0.602 7.927) 9.460 15.488 ( -7.536 -4.559 -5.886) 10.593 15.708 ( -2.593 -10.506 -1.960) 10.997 15.982 ( -1.918 -0.766 6.084) 6.425 16.309 ( 7.635 0.704 4.475) 8.878 16.860 ( 4.106 12.895 -3.332) 13.937 17.070 ( -1.221 1.057 -0.098) 1.617 17.581 ( 11.711 -0.683 -12.693) 17.284 18.023 ( -13.292 3.175 11.270) 17.713 18.319 ( 1.226 0.107 -1.505) 1.944 19.636 ( -1.645 0.829 2.561) 3.155 20.680 ( -0.179 -8.678 -3.324) 9.295 21.192 ( 5.302 -1.403 -1.955) 5.823 21.735 ( 0.129 -3.006 7.341) 7.934 22.773 ( -2.605 4.389 -8.682) 10.071 23.871 ( -9.853 0.508 3.067) 10.332 ======================= Grid point 38 (24/130) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.000 0.571 0.000) 0.571 2.804 ( 0.000 -0.810 -0.000) 0.810 3.215 ( -0.000 3.595 -0.000) 3.595 3.232 ( 0.000 7.748 0.000) 7.748 3.312 ( 0.000 -1.945 0.000) 1.945 3.712 ( -0.000 0.368 -0.000) 0.368 4.067 ( 0.000 -3.209 -0.000) 3.209 4.171 ( -0.000 4.555 0.000) 4.555 4.624 ( 0.000 -5.297 -0.000) 5.297 4.939 ( -0.000 10.833 0.000) 10.833 5.305 ( -0.000 7.858 0.000) 7.858 5.454 ( -0.000 -7.210 -0.000) 7.210 5.459 ( 0.000 3.863 0.000) 3.863 5.535 ( -0.000 6.320 0.000) 6.320 5.562 ( 0.000 3.858 -0.000) 3.858 5.812 ( 0.000 -7.487 -0.000) 7.487 5.865 ( 0.000 3.142 0.000) 3.142 6.119 ( 0.000 0.645 -0.000) 0.645 6.198 ( -0.000 3.712 -0.000) 3.712 6.202 ( 0.000 -6.884 0.000) 6.884 6.543 ( 0.000 8.395 0.000) 8.395 6.606 ( 0.000 4.797 -0.000) 4.797 6.684 ( 0.000 -2.655 0.000) 2.655 7.067 ( 0.000 -0.097 0.000) 0.097 7.349 ( 0.000 8.743 0.000) 8.743 7.402 ( -0.000 -1.313 -0.000) 1.313 7.547 ( -0.000 -0.091 -0.000) 0.091 7.631 ( 0.000 9.940 -0.000) 9.940 7.673 ( -0.000 -0.349 0.000) 0.349 7.786 ( 0.000 -1.712 0.000) 1.712 7.973 ( 0.000 16.777 0.000) 16.777 8.175 ( 0.000 5.541 -0.000) 5.541 8.408 ( -0.000 12.274 0.000) 12.274 8.697 ( 0.000 -0.216 0.000) 0.216 8.735 ( 0.000 3.748 0.000) 3.748 8.783 ( -0.000 4.202 -0.000) 4.202 8.828 ( 0.000 -5.265 -0.000) 5.265 9.030 ( 0.000 2.884 0.000) 2.884 9.046 ( 0.000 4.302 0.000) 4.302 9.137 ( 0.000 8.255 0.000) 8.255 9.261 ( -0.000 1.862 -0.000) 1.862 9.284 ( 0.000 10.205 0.000) 10.205 9.310 ( 0.000 15.040 -0.000) 15.040 9.549 ( 0.000 8.047 -0.000) 8.047 9.586 ( 0.000 1.928 0.000) 1.928 9.939 ( -0.000 2.016 0.000) 2.016 10.034 ( 0.000 -3.667 -0.000) 3.667 10.046 ( -0.000 -5.950 0.000) 5.950 10.189 ( 0.000 -0.122 -0.000) 0.122 10.213 ( 0.000 -6.853 -0.000) 6.853 10.504 ( 0.000 -7.270 0.000) 7.270 10.593 ( 0.000 -3.537 -0.000) 3.537 10.754 ( -0.000 -6.482 -0.000) 6.482 10.920 ( 0.000 0.392 0.000) 0.392 11.030 ( 0.000 2.989 -0.000) 2.989 11.341 ( 0.000 -2.563 -0.000) 2.563 11.418 ( 0.000 2.635 0.000) 2.635 11.735 ( 0.000 -1.735 -0.000) 1.735 11.770 ( 0.000 -3.836 0.000) 3.836 12.045 ( 0.000 -6.136 -0.000) 6.136 12.355 ( 0.000 6.822 -0.000) 6.822 12.450 ( 0.000 -0.306 0.000) 0.306 12.733 ( 0.000 -2.116 0.000) 2.116 12.866 ( 0.000 5.667 -0.000) 5.667 12.953 ( 0.000 -8.231 -0.000) 8.231 13.099 ( 0.000 -7.198 0.000) 7.198 13.296 ( 0.000 -7.254 0.000) 7.254 13.425 ( 0.000 3.641 0.000) 3.641 13.524 ( -0.000 -11.956 -0.000) 11.956 13.703 ( 0.000 -6.945 0.000) 6.945 14.238 ( 0.000 -7.792 0.000) 7.792 14.313 ( 0.000 0.060 0.000) 0.060 14.385 ( 0.000 1.925 0.000) 1.925 14.506 ( 0.000 -3.491 -0.000) 3.491 15.275 ( -0.000 -1.107 -0.000) 1.107 15.332 ( 0.000 0.757 0.000) 0.757 15.688 ( 0.000 -13.758 -0.000) 13.758 15.977 ( 0.000 -0.660 0.000) 0.660 16.394 ( 0.000 0.247 0.000) 0.247 16.885 ( 0.000 14.693 -0.000) 14.693 17.064 ( 0.000 0.168 0.000) 0.168 17.714 ( 0.000 0.334 0.000) 0.334 17.868 ( -0.000 2.237 0.000) 2.237 18.328 ( 0.000 0.144 0.000) 0.144 19.626 ( 0.000 1.137 -0.000) 1.137 20.671 ( 0.000 -9.202 0.000) 9.202 21.242 ( 0.000 -1.551 0.000) 1.551 21.752 ( 0.000 -2.418 0.000) 2.418 22.728 ( 0.000 3.912 -0.000) 3.912 23.781 ( 0.000 0.328 -0.000) 0.328 ======================= Grid point 44 (25/130) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 -0.000 0.000) 0.000 2.656 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 -0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 -0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 -0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 6.027 ( 0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.623 ( 0.000 0.000 0.000) 0.000 6.898 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 7.049 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 7.900 ( 0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.454 ( 0.000 0.000 0.000) 0.000 8.683 ( 0.000 0.000 0.000) 0.000 8.891 ( 0.000 0.000 0.000) 0.000 8.986 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 -0.000 0.000) 0.000 9.115 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 -0.000 0.000) 0.000 9.275 ( 0.000 0.000 0.000) 0.000 9.327 ( 0.000 0.000 0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 9.906 ( 0.000 0.000 0.000) 0.000 10.006 ( 0.000 0.000 0.000) 0.000 10.028 ( 0.000 -0.000 0.000) 0.000 10.266 ( 0.000 -0.000 0.000) 0.000 10.282 ( 0.000 0.000 0.000) 0.000 10.316 ( 0.000 -0.000 0.000) 0.000 10.396 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 10.879 ( 0.000 0.000 0.000) 0.000 10.958 ( 0.000 0.000 0.000) 0.000 11.266 ( 0.000 0.000 0.000) 0.000 11.607 ( 0.000 -0.000 0.000) 0.000 11.684 ( 0.000 0.000 0.000) 0.000 11.697 ( 0.000 0.000 0.000) 0.000 11.738 ( 0.000 0.000 0.000) 0.000 11.740 ( 0.000 0.000 0.000) 0.000 12.140 ( 0.000 0.000 0.000) 0.000 12.200 ( 0.000 0.000 0.000) 0.000 12.553 ( 0.000 0.000 0.000) 0.000 12.619 ( 0.000 0.000 0.000) 0.000 12.755 ( 0.000 0.000 0.000) 0.000 13.062 ( 0.000 0.000 0.000) 0.000 13.199 ( 0.000 -0.000 0.000) 0.000 13.443 ( 0.000 0.000 0.000) 0.000 13.445 ( 0.000 -0.000 0.000) 0.000 13.493 ( 0.000 0.000 0.000) 0.000 13.597 ( 0.000 0.000 0.000) 0.000 13.798 ( 0.000 0.000 0.000) 0.000 13.992 ( 0.000 0.000 0.000) 0.000 14.010 ( 0.000 0.000 0.000) 0.000 15.146 ( 0.000 -0.000 0.000) 0.000 15.161 ( 0.000 0.000 0.000) 0.000 15.348 ( 0.000 0.000 0.000) 0.000 15.771 ( 0.000 0.000 0.000) 0.000 15.910 ( 0.000 0.000 0.000) 0.000 16.344 ( 0.000 0.000 0.000) 0.000 16.382 ( 0.000 0.000 0.000) 0.000 17.316 ( 0.000 0.000 0.000) 0.000 17.564 ( 0.000 0.000 0.000) 0.000 17.917 ( 0.000 0.000 0.000) 0.000 18.239 ( 0.000 0.000 0.000) 0.000 20.094 ( 0.000 0.000 0.000) 0.000 20.466 ( 0.000 0.000 0.000) 0.000 20.979 ( 0.000 0.000 0.000) 0.000 21.667 ( 0.000 0.000 0.000) 0.000 22.910 ( 0.000 0.000 0.000) 0.000 24.685 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 46 (26/130) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 17.649 -0.000 1.316) 17.698 2.672 ( -1.340 0.000 -15.328) 15.387 2.682 ( 11.818 -0.000 -2.213) 12.024 2.795 ( 5.526 -0.000 6.783) 8.749 3.444 ( -5.386 -0.000 -7.800) 9.479 3.467 ( -12.095 0.000 -5.329) 13.217 3.530 ( 5.816 -0.000 2.016) 6.156 4.365 ( -7.697 -0.000 8.375) 11.375 4.702 ( 0.013 -0.000 -3.765) 3.765 4.907 ( -0.372 -0.000 -11.088) 11.095 5.055 ( -2.135 -0.000 8.486) 8.751 5.129 ( -3.636 -0.000 6.890) 7.791 5.204 ( 6.456 0.000 7.549) 9.933 5.576 ( -2.073 0.000 -2.150) 2.987 5.720 ( 4.932 -0.000 4.530) 6.697 5.812 ( -2.111 0.000 -6.314) 6.657 5.935 ( 4.068 0.000 1.026) 4.196 6.019 ( -7.825 -0.000 -3.843) 8.717 6.144 ( 7.711 0.000 1.604) 7.876 6.442 ( 1.432 0.000 3.751) 4.015 6.535 ( -0.944 -0.000 -5.696) 5.774 6.685 ( 10.506 0.000 -6.854) 12.544 6.896 ( -2.715 -0.000 7.284) 7.774 7.010 ( 1.513 0.000 -1.202) 1.932 7.049 ( -2.001 -0.000 7.936) 8.184 7.167 ( 4.066 0.000 1.214) 4.244 7.542 ( 3.908 0.000 -4.832) 6.214 7.603 ( -3.153 0.000 -1.827) 3.644 7.838 ( 4.514 0.000 3.538) 5.735 7.957 ( 2.614 0.000 1.047) 2.816 8.166 ( -0.928 0.000 -1.818) 2.041 8.275 ( -6.972 0.000 -2.191) 7.308 8.305 ( 5.453 -0.000 1.184) 5.580 8.582 ( 6.718 -0.000 2.370) 7.124 8.642 ( -3.369 0.000 0.689) 3.439 8.868 ( -2.096 0.000 -2.507) 3.267 8.991 ( 0.286 -0.000 1.712) 1.736 9.025 ( -0.315 0.000 2.464) 2.484 9.110 ( 1.338 0.000 -4.067) 4.281 9.130 ( 0.290 -0.000 4.811) 4.819 9.289 ( -2.288 0.000 -6.205) 6.613 9.342 ( 5.285 0.000 4.349) 6.844 9.768 ( -5.676 -0.000 -4.849) 7.466 9.924 ( 1.261 0.000 0.213) 1.279 9.978 ( -2.665 -0.000 -3.002) 4.014 10.042 ( -0.251 -0.000 2.441) 2.454 10.117 ( -8.871 -0.000 3.187) 9.426 10.241 ( -3.108 0.000 -3.248) 4.495 10.426 ( -1.978 0.000 0.550) 2.053 10.438 ( 5.582 -0.000 5.843) 8.081 10.635 ( 1.294 -0.000 0.256) 1.319 10.813 ( -5.690 -0.000 -1.240) 5.824 10.858 ( -8.484 0.000 -5.786) 10.270 11.262 ( -1.960 0.000 1.537) 2.491 11.461 ( -10.397 -0.000 0.222) 10.399 11.597 ( -9.959 0.000 2.847) 10.358 11.748 ( 2.569 -0.000 -1.019) 2.764 11.777 ( 7.003 0.000 3.665) 7.904 11.846 ( 3.620 0.000 6.106) 7.098 12.117 ( -7.872 0.000 -2.781) 8.349 12.163 ( 2.394 -0.000 0.231) 2.406 12.537 ( -7.443 -0.000 -1.205) 7.540 12.566 ( 2.522 0.000 -1.713) 3.049 12.733 ( -0.995 0.000 -3.417) 3.559 13.101 ( -8.333 -0.000 0.714) 8.363 13.114 ( 4.565 0.000 -1.835) 4.920 13.367 ( -4.108 0.000 -1.488) 4.369 13.493 ( 2.054 -0.000 -1.779) 2.717 13.540 ( -4.477 -0.000 -1.457) 4.708 13.567 ( 3.092 0.000 1.928) 3.644 13.843 ( 4.880 0.000 0.362) 4.893 13.951 ( 2.441 0.000 -4.225) 4.880 14.139 ( 6.939 0.000 3.975) 7.997 15.042 ( -6.510 -0.000 5.521) 8.536 15.071 ( -7.964 0.000 -2.327) 8.297 15.545 ( 14.912 0.000 1.296) 14.969 15.657 ( -5.853 0.000 -11.051) 12.506 15.990 ( 1.860 0.000 12.557) 12.694 16.268 ( -7.916 0.000 0.270) 7.921 16.480 ( 8.472 0.000 2.585) 8.858 17.287 ( -3.489 0.000 3.604) 5.016 17.360 ( -8.664 0.000 -15.679) 17.914 18.141 ( 12.734 0.000 7.463) 14.759 18.246 ( 1.003 0.000 -1.603) 1.891 20.003 ( -10.331 -0.000 6.816) 12.377 20.500 ( 5.544 0.000 -10.407) 11.791 20.985 ( 0.335 0.000 1.782) 1.813 21.637 ( -4.729 0.000 12.146) 13.035 22.951 ( 6.238 0.000 -14.892) 16.146 24.601 ( -9.371 0.000 3.401) 9.969 ======================= Grid point 48 (27/130) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -4.528 -0.000 -16.408) 17.021 2.680 ( 15.047 -0.000 1.481) 15.119 2.951 ( 2.435 0.000 -0.484) 2.483 3.040 ( 25.627 -0.000 -2.848) 25.785 3.217 ( -6.217 -0.000 0.112) 6.219 3.299 ( -5.477 -0.000 -7.794) 9.526 3.708 ( 11.631 0.000 -0.099) 11.631 4.239 ( -8.746 0.000 10.087) 13.350 4.671 ( -0.962 -0.000 -7.369) 7.432 4.887 ( 2.183 -0.000 -8.219) 8.504 5.040 ( -2.863 -0.000 11.454) 11.807 5.082 ( -3.846 0.000 8.016) 8.891 5.335 ( 5.597 0.000 2.069) 5.967 5.547 ( -0.255 0.000 -0.080) 0.268 5.774 ( 0.466 -0.000 -4.709) 4.732 5.824 ( -0.940 0.000 4.000) 4.109 5.925 ( 2.932 -0.000 -0.787) 3.036 6.012 ( 3.303 0.000 -5.646) 6.541 6.279 ( 5.115 0.000 1.973) 5.482 6.397 ( -5.140 0.000 0.646) 5.181 6.474 ( -1.067 -0.000 -6.361) 6.449 6.848 ( -5.223 -0.000 9.749) 11.060 6.899 ( 7.084 0.000 -3.945) 8.108 7.035 ( 3.493 0.000 -4.624) 5.795 7.045 ( 1.370 0.000 8.806) 8.912 7.302 ( 7.468 0.000 3.413) 8.210 7.533 ( -3.491 0.000 1.447) 3.779 7.620 ( 5.412 0.000 -5.087) 7.428 7.942 ( -3.523 0.000 -1.724) 3.922 7.967 ( 5.902 0.000 5.667) 8.182 8.140 ( -0.018 -0.000 -4.422) 4.422 8.153 ( -4.167 0.000 -2.645) 4.936 8.444 ( 6.635 0.000 3.128) 7.335 8.543 ( -5.785 -0.000 4.332) 7.227 8.740 ( 7.491 0.000 -0.101) 7.492 8.795 ( -4.608 -0.000 -1.557) 4.864 8.998 ( -1.338 0.000 2.842) 3.141 9.006 ( -1.074 -0.000 -3.591) 3.748 9.132 ( -2.385 0.000 -1.339) 2.735 9.158 ( 3.461 0.000 4.032) 5.314 9.264 ( 4.313 0.000 -2.461) 4.965 9.439 ( 0.864 -0.000 0.348) 0.931 9.655 ( -1.456 -0.000 -5.086) 5.290 9.852 ( -9.149 0.000 -5.456) 10.652 9.935 ( -1.934 0.000 3.969) 4.415 9.957 ( -4.217 -0.000 1.346) 4.427 10.101 ( -0.266 -0.000 10.391) 10.394 10.149 ( -5.399 0.000 -1.717) 5.665 10.295 ( -6.449 0.000 -9.194) 11.231 10.506 ( -5.696 -0.000 0.790) 5.751 10.585 ( -9.818 0.000 -1.186) 9.890 10.659 ( -5.821 -0.000 2.502) 6.336 10.853 ( 10.325 -0.000 5.539) 11.717 11.179 ( -6.351 0.000 -3.184) 7.105 11.289 ( -6.837 -0.000 -2.886) 7.421 11.372 ( -13.919 0.000 1.529) 14.003 11.790 ( 0.648 0.000 2.308) 2.397 11.832 ( -9.941 -0.000 -1.274) 10.023 11.878 ( -2.812 0.000 5.922) 6.555 11.995 ( 2.775 0.000 2.545) 3.765 12.249 ( 7.421 -0.000 0.051) 7.421 12.382 ( -6.770 -0.000 -3.495) 7.618 12.657 ( 7.841 -0.000 -2.038) 8.101 12.716 ( 0.860 0.000 -2.505) 2.649 12.935 ( -9.437 0.000 1.290) 9.525 13.175 ( 3.017 0.000 -5.625) 6.383 13.292 ( -4.152 0.000 0.532) 4.186 13.384 ( -7.848 -0.000 0.322) 7.855 13.546 ( 2.516 -0.000 -5.633) 6.169 13.593 ( -0.689 0.000 2.222) 2.326 13.965 ( 7.228 0.000 -1.122) 7.315 14.040 ( 7.029 -0.000 -1.392) 7.166 14.272 ( 5.410 0.000 3.236) 6.304 14.890 ( -10.005 -0.000 -1.057) 10.061 15.002 ( -0.579 0.000 7.803) 7.824 15.520 ( -3.682 0.000 -11.595) 12.165 15.842 ( 14.903 0.000 3.991) 15.428 16.027 ( -3.347 0.000 13.731) 14.133 16.068 ( -12.830 0.000 0.662) 12.847 16.661 ( 9.515 0.000 -0.308) 9.520 17.227 ( -4.051 0.000 2.773) 4.909 17.262 ( 5.194 -0.000 -15.962) 16.786 18.265 ( 1.913 0.000 -2.603) 3.230 18.315 ( 1.725 -0.000 7.093) 7.300 19.814 ( -11.540 -0.000 9.998) 15.268 20.573 ( 6.662 0.000 -14.870) 16.294 21.009 ( 1.587 0.000 2.994) 3.389 21.618 ( -2.489 0.000 14.907) 15.113 22.981 ( 3.250 0.000 -19.322) 19.593 24.380 ( -15.309 0.000 5.579) 16.293 ======================= Grid point 50 (28/130) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -4.366 0.000 -14.810) 15.440 2.844 ( -5.015 0.000 -4.876) 6.995 2.945 ( 12.442 -0.000 2.622) 12.715 3.220 ( 0.162 0.000 -4.345) 4.348 3.271 ( 3.467 -0.000 5.318) 6.348 3.477 ( 18.779 -0.000 -2.343) 18.925 3.952 ( 13.576 0.000 -1.153) 13.624 4.137 ( -5.753 0.000 8.418) 10.196 4.624 ( -0.657 -0.000 -7.133) 7.163 4.923 ( 4.118 -0.000 -4.742) 6.280 5.068 ( 1.718 0.000 12.339) 12.459 5.086 ( 3.671 -0.000 2.660) 4.533 5.435 ( 5.026 -0.000 -1.871) 5.363 5.561 ( 0.785 0.000 3.064) 3.163 5.750 ( -4.828 0.000 -0.982) 4.926 5.780 ( 1.841 -0.000 -6.744) 6.991 5.982 ( -3.112 0.000 -6.105) 6.853 6.042 ( 5.017 0.000 4.455) 6.709 6.295 ( -4.335 -0.000 -3.899) 5.831 6.320 ( -0.135 -0.000 -3.098) 3.101 6.511 ( 4.794 -0.000 1.355) 4.981 6.784 ( -5.417 -0.000 8.591) 10.157 6.824 ( -8.829 0.000 4.544) 9.930 7.060 ( 0.291 -0.000 1.643) 1.668 7.251 ( 12.825 -0.000 -6.980) 14.602 7.413 ( 2.008 -0.000 4.181) 4.638 7.501 ( -0.741 0.000 2.987) 3.078 7.667 ( 1.215 0.000 -3.899) 4.084 7.848 ( -4.777 0.000 -1.979) 5.171 7.969 ( -6.823 0.000 4.113) 7.967 8.147 ( 2.896 0.000 -6.989) 7.566 8.197 ( 6.445 0.000 2.658) 6.972 8.473 ( -2.461 0.000 5.617) 6.132 8.542 ( 1.937 -0.000 4.222) 4.645 8.696 ( -4.033 0.000 -1.969) 4.488 8.848 ( 3.147 0.000 -0.823) 3.253 8.952 ( -4.162 0.000 5.254) 6.703 8.988 ( 1.973 -0.000 -4.641) 5.043 9.100 ( 0.918 0.000 -5.868) 5.940 9.248 ( 3.034 0.000 7.181) 7.795 9.355 ( -4.025 0.000 -9.866) 10.656 9.384 ( 6.957 -0.000 0.115) 6.958 9.639 ( -10.564 0.000 -6.667) 12.492 9.685 ( 2.251 -0.000 -0.559) 2.320 9.841 ( -9.000 0.000 2.614) 9.372 9.924 ( -0.902 -0.000 3.094) 3.223 10.057 ( -4.590 0.000 2.829) 5.392 10.126 ( -1.540 0.000 10.149) 10.265 10.181 ( -2.198 0.000 -8.880) 9.148 10.240 ( -14.664 -0.000 -0.187) 14.665 10.400 ( -7.294 0.000 -0.250) 7.298 10.693 ( 1.322 0.000 7.456) 7.573 11.028 ( -6.855 -0.000 -5.645) 8.881 11.042 ( -4.422 -0.000 4.701) 6.454 11.144 ( -0.218 0.000 -0.268) 0.345 11.178 ( -3.676 -0.000 -4.664) 5.939 11.593 ( -10.131 0.000 -3.260) 10.642 11.777 ( -3.022 -0.000 3.478) 4.607 11.812 ( -4.363 0.000 -0.380) 4.380 12.048 ( -1.217 0.000 0.441) 1.295 12.314 ( 1.585 0.000 -1.312) 2.057 12.411 ( 7.875 0.000 -0.671) 7.904 12.753 ( 3.298 0.000 0.956) 3.434 12.764 ( -6.823 -0.000 -0.226) 6.827 12.830 ( 8.464 0.000 2.748) 8.899 13.185 ( -6.857 0.000 0.555) 6.879 13.199 ( 1.803 0.000 -6.009) 6.274 13.267 ( -4.021 -0.000 -1.422) 4.265 13.571 ( 2.071 -0.000 -3.433) 4.009 13.585 ( -0.647 0.000 0.704) 0.956 14.076 ( 5.088 0.000 -2.541) 5.687 14.170 ( 6.562 0.000 0.144) 6.564 14.363 ( 3.048 0.000 3.078) 4.331 14.698 ( -10.355 0.000 1.125) 10.416 15.066 ( 3.486 0.000 8.815) 9.480 15.436 ( -1.037 0.000 -9.370) 9.427 15.823 ( -12.785 -0.000 -0.398) 12.791 15.997 ( -3.983 0.000 10.432) 11.167 16.116 ( 12.047 0.000 5.286) 13.156 16.833 ( 9.926 0.000 -4.004) 10.703 17.156 ( -3.950 0.000 -0.511) 3.983 17.386 ( 12.036 -0.000 -12.146) 17.100 18.258 ( -10.263 0.000 9.665) 14.098 18.294 ( 2.123 -0.000 -2.610) 3.365 19.686 ( -5.625 0.000 7.550) 9.415 20.610 ( 2.523 0.000 -11.624) 11.895 21.080 ( 4.844 0.000 1.586) 5.097 21.652 ( -0.026 0.000 12.932) 12.932 22.922 ( -1.606 0.000 -16.901) 16.977 24.102 ( -15.707 0.000 5.781) 16.737 ======================= Grid point 52 (29/130) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -3.228 0.000 -8.352) 8.954 2.801 ( 1.241 0.000 -3.846) 4.041 3.145 ( 6.377 -0.000 7.511) 9.853 3.265 ( 5.269 -0.000 -5.621) 7.704 3.313 ( -0.375 0.000 4.159) 4.176 3.680 ( 5.040 -0.000 -2.218) 5.507 4.076 ( -3.538 0.000 3.877) 5.248 4.155 ( 7.634 0.000 -1.221) 7.731 4.588 ( -1.573 0.000 -2.042) 2.577 4.989 ( 3.563 -0.000 -1.504) 3.868 5.211 ( 8.442 0.000 10.046) 13.122 5.280 ( 15.882 -0.000 -2.601) 16.094 5.506 ( 3.258 -0.000 -2.362) 4.024 5.589 ( 0.331 0.000 5.126) 5.137 5.635 ( -7.160 0.000 -2.491) 7.581 5.760 ( -0.810 0.000 -9.183) 9.218 5.923 ( -0.493 0.000 -3.184) 3.222 6.111 ( 0.729 0.000 3.172) 3.255 6.230 ( -0.525 -0.000 -5.356) 5.382 6.242 ( -7.982 0.000 0.701) 8.013 6.603 ( 3.382 0.000 3.473) 4.848 6.696 ( -5.344 0.000 3.373) 6.319 6.716 ( -3.726 0.000 2.576) 4.530 7.057 ( -1.312 0.000 2.439) 2.769 7.402 ( 5.783 0.000 -5.028) 7.663 7.412 ( -2.250 -0.000 2.104) 3.080 7.521 ( 2.268 -0.000 -0.706) 2.375 7.662 ( -0.219 0.000 -0.868) 0.895 7.777 ( -1.677 -0.000 -1.487) 2.241 7.832 ( -8.703 0.000 4.113) 9.626 8.167 ( 1.393 0.000 -5.891) 6.054 8.257 ( -0.821 0.000 1.757) 1.940 8.545 ( -1.607 -0.000 3.846) 4.168 8.554 ( 7.094 0.000 9.451) 11.817 8.687 ( 3.088 0.000 -2.328) 3.867 8.840 ( -1.996 -0.000 -5.216) 5.585 8.896 ( -4.576 0.000 5.603) 7.234 9.041 ( 3.417 -0.000 -2.333) 4.137 9.094 ( -0.149 0.000 -2.969) 2.973 9.241 ( -1.753 0.000 -2.381) 2.957 9.357 ( 3.558 -0.000 -0.181) 3.563 9.399 ( -6.248 0.000 -10.038) 11.823 9.516 ( 2.581 0.000 1.819) 3.157 9.667 ( -5.540 0.000 -2.158) 5.946 9.701 ( -2.925 -0.000 0.932) 3.070 9.899 ( -3.437 0.000 1.933) 3.943 9.975 ( -3.824 0.000 0.572) 3.867 10.076 ( -1.691 0.000 3.311) 3.718 10.133 ( -0.556 -0.000 -4.004) 4.042 10.143 ( -1.385 -0.000 7.196) 7.328 10.354 ( 0.548 0.000 6.435) 6.458 10.700 ( -2.634 0.000 2.625) 3.719 10.766 ( -15.383 -0.000 -4.130) 15.928 10.926 ( -1.717 0.000 -2.281) 2.855 11.112 ( -1.672 0.000 -3.765) 4.119 11.293 ( 6.645 -0.000 0.777) 6.690 11.475 ( -2.385 0.000 0.333) 2.408 11.710 ( -4.376 0.000 2.766) 5.177 11.746 ( -1.849 0.000 -2.906) 3.445 11.991 ( -2.634 0.000 -2.584) 3.690 12.388 ( 4.637 0.000 0.967) 4.737 12.472 ( -0.509 0.000 -3.026) 3.068 12.688 ( -1.017 0.000 2.887) 3.061 12.819 ( 1.972 0.000 2.270) 3.007 13.003 ( 7.529 -0.000 1.968) 7.782 13.030 ( -7.632 0.000 -0.198) 7.635 13.216 ( -1.236 0.000 -2.148) 2.478 13.261 ( 6.055 -0.000 -1.747) 6.302 13.554 ( -2.969 0.000 -2.516) 3.892 13.596 ( 1.463 0.000 -1.260) 1.931 14.136 ( 2.397 0.000 -2.389) 3.384 14.273 ( 4.027 0.000 0.486) 4.056 14.411 ( 1.050 0.000 2.137) 2.381 14.528 ( -7.595 -0.000 2.098) 7.879 15.181 ( 4.618 0.000 8.619) 9.778 15.400 ( -0.070 0.000 -5.013) 5.014 15.605 ( -9.183 -0.000 -3.465) 9.816 15.974 ( -1.655 0.000 5.271) 5.525 16.320 ( 7.195 0.000 4.678) 8.582 16.990 ( 7.636 -0.000 -3.366) 8.345 17.080 ( -3.156 0.000 -2.382) 3.954 17.574 ( 12.186 0.000 -10.839) 16.309 18.056 ( -14.269 0.000 11.543) 18.354 18.319 ( 1.331 0.000 -1.626) 2.101 19.645 ( -1.653 0.000 3.499) 3.870 20.593 ( -0.176 0.000 -5.430) 5.433 21.179 ( 4.601 0.000 -0.127) 4.603 21.701 ( 0.627 0.000 7.979) 8.004 22.820 ( -2.751 0.000 -10.191) 10.556 23.871 ( -10.062 0.000 3.754) 10.739 ======================= Grid point 54 (30/130) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.000 0.000 -0.000) 0.000 2.813 ( 0.000 0.000 -0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 -0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 -0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.492 ( -0.000 0.000 0.000) 0.000 5.496 ( 0.000 0.000 -0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.726 ( -0.000 0.000 -0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 -0.000 -0.000) 0.000 6.121 ( 0.000 0.000 -0.000) 0.000 6.217 ( -0.000 0.000 0.000) 0.000 6.657 ( 0.000 -0.000 -0.000) 0.000 6.661 ( -0.000 0.000 -0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 7.045 ( 0.000 0.000 0.000) 0.000 7.390 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 7.657 ( 0.000 0.000 -0.000) 0.000 7.731 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 -0.000) 0.000 8.164 ( 0.000 0.000 0.000) 0.000 8.245 ( 0.000 0.000 -0.000) 0.000 8.543 ( 0.000 0.000 0.000) 0.000 8.701 ( 0.000 0.000 0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 8.762 ( -0.000 0.000 -0.000) 0.000 8.840 ( 0.000 0.000 0.000) 0.000 9.066 ( 0.000 0.000 0.000) 0.000 9.080 ( 0.000 0.000 0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 9.314 ( 0.000 0.000 0.000) 0.000 9.394 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 -0.000) 0.000 9.590 ( 0.000 -0.000 0.000) 0.000 9.680 ( 0.000 -0.000 -0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 9.945 ( 0.000 0.000 0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 10.120 ( 0.000 -0.000 -0.000) 0.000 10.142 ( 0.000 0.000 0.000) 0.000 10.417 ( 0.000 0.000 -0.000) 0.000 10.557 ( 0.000 0.000 0.000) 0.000 10.668 ( 0.000 0.000 0.000) 0.000 10.915 ( 0.000 0.000 0.000) 0.000 11.089 ( 0.000 0.000 -0.000) 0.000 11.357 ( 0.000 -0.000 0.000) 0.000 11.462 ( 0.000 0.000 -0.000) 0.000 11.670 ( 0.000 0.000 -0.000) 0.000 11.721 ( 0.000 0.000 0.000) 0.000 11.960 ( 0.000 0.000 0.000) 0.000 12.445 ( 0.000 0.000 0.000) 0.000 12.448 ( 0.000 0.000 0.000) 0.000 12.693 ( 0.000 0.000 0.000) 0.000 12.831 ( 0.000 0.000 0.000) 0.000 12.954 ( 0.000 0.000 0.000) 0.000 13.089 ( 0.000 0.000 0.000) 0.000 13.195 ( 0.000 -0.000 0.000) 0.000 13.362 ( 0.000 0.000 0.000) 0.000 13.479 ( 0.000 0.000 -0.000) 0.000 13.609 ( 0.000 0.000 -0.000) 0.000 14.153 ( 0.000 0.000 0.000) 0.000 14.314 ( 0.000 0.000 0.000) 0.000 14.424 ( 0.000 0.000 0.000) 0.000 14.457 ( 0.000 -0.000 -0.000) 0.000 15.262 ( 0.000 0.000 0.000) 0.000 15.391 ( 0.000 0.000 -0.000) 0.000 15.491 ( 0.000 -0.000 0.000) 0.000 15.970 ( 0.000 0.000 0.000) 0.000 16.401 ( 0.000 0.000 -0.000) 0.000 17.041 ( 0.000 0.000 0.000) 0.000 17.062 ( 0.000 0.000 0.000) 0.000 17.713 ( 0.000 0.000 -0.000) 0.000 17.893 ( -0.000 0.000 0.000) 0.000 18.329 ( 0.000 0.000 0.000) 0.000 19.637 ( 0.000 0.000 -0.000) 0.000 20.579 ( 0.000 0.000 0.000) 0.000 21.225 ( 0.000 0.000 -0.000) 0.000 21.725 ( 0.000 0.000 0.000) 0.000 22.770 ( 0.000 0.000 -0.000) 0.000 23.780 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 99 (31/130) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 1.450 0.000 35.387) 35.417 0.792 ( -3.938 0.000 37.673) 37.878 1.258 ( -17.442 0.000 59.741) 62.235 2.452 ( 6.004 0.000 -15.364) 16.495 2.685 ( 0.296 0.000 -14.953) 14.956 3.215 ( -11.236 0.000 8.955) 14.367 3.738 ( 5.608 0.000 -0.263) 5.614 4.188 ( 15.132 0.000 -22.863) 27.417 4.639 ( 1.650 0.000 5.408) 5.654 4.861 ( -7.513 0.000 9.216) 11.891 4.994 ( -0.731 0.000 -6.438) 6.479 5.278 ( -3.181 0.000 4.536) 5.541 5.362 ( 7.640 0.000 -3.750) 8.511 5.483 ( -3.004 0.000 -11.544) 11.928 5.697 ( -6.576 0.000 -0.366) 6.586 5.784 ( 0.648 0.000 1.392) 1.536 5.865 ( -18.263 0.000 1.683) 18.341 6.041 ( -9.256 0.000 0.505) 9.269 6.057 ( -0.024 0.000 0.721) 0.722 6.351 ( -3.276 0.000 7.396) 8.089 6.371 ( 1.030 0.000 -4.936) 5.042 6.423 ( -2.169 0.000 2.703) 3.466 6.555 ( -1.057 0.000 -0.925) 1.405 6.570 ( 1.365 0.000 -0.828) 1.596 6.853 ( -5.689 0.000 -1.899) 5.997 6.920 ( 6.802 0.000 -1.622) 6.992 6.989 ( -0.433 0.000 2.549) 2.585 7.335 ( 4.793 0.000 -3.417) 5.887 7.545 ( -0.645 0.000 1.505) 1.637 7.694 ( -0.993 0.000 -1.130) 1.504 8.055 ( 1.173 0.000 -5.198) 5.328 8.195 ( -11.405 0.000 -3.035) 11.802 8.314 ( 1.528 0.000 -2.421) 2.863 8.327 ( 0.549 0.000 -3.094) 3.142 8.504 ( 3.136 0.000 0.857) 3.251 8.597 ( -1.002 0.000 14.008) 14.044 8.707 ( -4.992 0.000 3.828) 6.291 8.894 ( -3.223 0.000 -2.764) 4.246 9.173 ( -8.113 0.000 -0.818) 8.154 9.295 ( 2.832 0.000 5.327) 6.033 9.309 ( -1.677 0.000 3.019) 3.453 9.371 ( 3.330 0.000 -3.267) 4.665 9.388 ( -0.258 0.000 7.372) 7.376 9.538 ( -5.614 0.000 2.520) 6.154 9.556 ( 4.512 0.000 -9.182) 10.231 10.089 ( 1.951 0.000 1.203) 2.292 10.226 ( -0.980 0.000 -0.466) 1.086 10.467 ( 0.433 0.000 2.687) 2.722 10.562 ( -6.561 0.000 -16.984) 18.207 10.713 ( -3.607 0.000 -5.741) 6.780 10.871 ( 3.585 0.000 2.493) 4.367 11.163 ( -14.388 0.000 -2.014) 14.528 11.222 ( 7.554 0.000 5.437) 9.307 11.504 ( 1.740 0.000 -1.685) 2.422 11.590 ( 0.488 0.000 -5.021) 5.044 11.683 ( -3.282 0.000 -0.364) 3.302 11.768 ( 4.685 0.000 -4.616) 6.577 11.847 ( -4.448 0.000 0.482) 4.474 11.913 ( 16.763 0.000 7.886) 18.525 12.104 ( 43.232 0.000 9.176) 44.195 12.262 ( 1.660 0.000 2.270) 2.813 12.570 ( -1.645 0.000 -4.958) 5.224 12.640 ( 9.734 0.000 6.025) 11.447 12.779 ( 4.736 0.000 3.007) 5.610 13.220 ( 1.932 0.000 0.244) 1.947 13.417 ( -3.208 0.000 -5.304) 6.199 13.549 ( -6.474 0.000 7.297) 9.755 13.643 ( -0.830 0.000 3.218) 3.323 13.649 ( 1.239 0.000 1.656) 2.068 13.927 ( -3.296 0.000 1.349) 3.562 14.160 ( 1.286 0.000 -7.434) 7.544 14.309 ( -22.308 0.000 -0.967) 22.329 14.444 ( 2.927 0.000 4.304) 5.205 14.564 ( -1.447 0.000 -3.883) 4.144 15.502 ( -0.771 0.000 1.966) 2.112 15.671 ( 0.958 0.000 0.458) 1.062 15.692 ( 12.782 0.000 -2.435) 13.011 15.944 ( -4.025 0.000 -5.426) 6.756 16.387 ( 2.975 0.000 0.239) 2.985 16.425 ( -2.168 0.000 -0.547) 2.236 17.315 ( 41.794 0.000 2.440) 41.865 17.747 ( -6.724 0.000 -10.253) 12.261 18.091 ( 1.669 0.000 5.635) 5.877 18.231 ( -0.617 0.000 0.164) 0.639 19.493 ( -25.820 0.000 -0.083) 25.820 19.522 ( -0.461 0.000 -0.278) 0.538 22.144 ( 4.350 0.000 2.662) 5.100 22.529 ( -21.061 0.000 -9.510) 23.109 23.131 ( -46.582 0.000 10.344) 47.717 23.468 ( 3.345 0.000 -0.705) 3.418 ======================= Grid point 100 (32/130) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 19.045 0.000 28.256) 34.075 1.176 ( 13.805 0.000 36.388) 38.919 1.573 ( 34.805 0.000 32.833) 47.847 2.559 ( 11.784 0.000 -15.886) 19.780 2.671 ( 4.932 0.000 -14.393) 15.214 2.985 ( -15.125 0.000 4.684) 15.833 3.808 ( 1.418 0.000 1.273) 1.906 4.439 ( 19.524 0.000 -16.061) 25.282 4.754 ( 7.858 0.000 -0.268) 7.862 4.804 ( -3.082 0.000 12.279) 12.660 4.849 ( -10.194 0.000 3.999) 10.951 5.222 ( -2.469 0.000 2.048) 3.208 5.317 ( -2.852 0.000 -4.842) 5.620 5.475 ( 5.068 0.000 -3.057) 5.918 5.584 ( -4.683 0.000 0.022) 4.683 5.670 ( -2.725 0.000 0.708) 2.816 5.808 ( -0.788 0.000 -1.818) 1.982 5.940 ( -4.124 0.000 7.473) 8.535 6.029 ( -3.053 0.000 0.870) 3.174 6.247 ( -9.541 0.000 -3.788) 10.265 6.385 ( -2.469 0.000 6.660) 7.103 6.395 ( 3.813 0.000 5.181) 6.433 6.569 ( 2.001 0.000 -0.764) 2.142 6.588 ( 1.361 0.000 -0.392) 1.416 6.773 ( -0.931 0.000 -3.875) 3.986 7.031 ( 3.849 0.000 -0.458) 3.876 7.109 ( 10.536 0.000 -0.832) 10.568 7.404 ( 2.093 0.000 0.228) 2.105 7.526 ( -2.123 0.000 0.624) 2.212 7.797 ( 8.446 0.000 -7.941) 11.592 8.006 ( -4.199 0.000 -1.654) 4.513 8.041 ( -4.909 0.000 -3.249) 5.887 8.293 ( -2.815 0.000 -1.727) 3.302 8.353 ( 3.028 0.000 -3.696) 4.778 8.526 ( -9.634 0.000 13.810) 16.839 8.564 ( 1.798 0.000 3.637) 4.057 8.669 ( 0.189 0.000 -3.857) 3.862 8.909 ( 3.278 0.000 1.653) 3.671 8.952 ( -10.835 0.000 -1.206) 10.902 9.281 ( -7.853 0.000 3.973) 8.801 9.292 ( -3.394 0.000 -3.763) 5.067 9.321 ( -5.250 0.000 1.515) 5.464 9.380 ( -0.849 0.000 9.178) 9.217 9.459 ( -2.608 0.000 0.773) 2.720 9.676 ( 6.212 0.000 -3.100) 6.943 10.122 ( 0.439 0.000 3.936) 3.960 10.176 ( -5.256 0.000 -4.119) 6.678 10.354 ( -3.947 0.000 -5.289) 6.599 10.514 ( 3.972 0.000 3.985) 5.627 10.642 ( -6.319 0.000 -1.115) 6.417 10.907 ( -1.526 0.000 1.456) 2.110 10.910 ( -9.467 0.000 -1.697) 9.618 11.198 ( -5.280 0.000 5.348) 7.515 11.406 ( -10.361 0.000 -1.925) 10.538 11.524 ( -5.132 0.000 -6.541) 8.314 11.668 ( 2.363 0.000 -6.196) 6.631 11.804 ( 2.532 0.000 0.301) 2.549 11.860 ( 5.244 0.000 5.635) 7.697 12.006 ( 1.300 0.000 7.461) 7.574 12.165 ( -12.908 0.000 0.751) 12.930 12.482 ( 0.979 0.000 0.398) 1.057 12.556 ( 4.168 0.000 -5.060) 6.556 12.933 ( 5.169 0.000 -14.755) 15.634 12.943 ( 9.652 0.000 2.084) 9.874 13.184 ( -17.966 0.000 -4.910) 18.625 13.227 ( -8.372 0.000 6.829) 10.804 13.505 ( 0.681 0.000 1.878) 1.997 13.646 ( 0.728 0.000 0.905) 1.161 13.937 ( -2.296 0.000 15.369) 15.540 13.998 ( 7.539 0.000 0.645) 7.566 14.037 ( 19.004 0.000 -13.648) 23.397 14.131 ( -0.466 0.000 -6.377) 6.394 14.495 ( 0.169 0.000 5.231) 5.234 14.587 ( 3.868 0.000 -4.659) 6.055 15.512 ( 1.142 0.000 1.978) 2.284 15.704 ( -5.464 0.000 -3.419) 6.446 15.746 ( 6.202 0.000 0.749) 6.247 15.950 ( 4.625 0.000 -10.309) 11.299 16.321 ( -7.922 0.000 -1.212) 8.014 16.479 ( 5.972 0.000 0.375) 5.984 17.394 ( -22.837 0.000 27.251) 35.555 17.573 ( -6.133 0.000 -13.434) 14.768 18.122 ( -0.474 0.000 4.633) 4.657 18.227 ( -0.245 0.000 -0.081) 0.258 19.557 ( 3.439 0.000 -0.510) 3.476 19.785 ( 42.610 0.000 -29.929) 52.071 21.925 ( -23.437 0.000 9.926) 25.452 22.179 ( -2.315 0.000 6.836) 7.217 22.828 ( -6.433 0.000 15.079) 16.393 23.536 ( 3.144 0.000 1.966) 3.708 ======================= Grid point 101 (33/130) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 15.320 0.000 32.111) 35.578 1.613 ( 24.880 0.000 17.481) 30.407 2.491 ( 47.655 0.000 10.787) 48.861 2.649 ( -6.179 0.000 -15.962) 17.116 2.770 ( 11.329 0.000 -12.699) 17.018 2.838 ( 8.695 0.000 3.832) 9.502 3.796 ( -2.914 0.000 1.290) 3.187 4.756 ( 16.708 0.000 -9.224) 19.085 4.768 ( -0.470 0.000 0.363) 0.594 4.799 ( -2.733 0.000 14.225) 14.485 4.899 ( 8.345 0.000 -10.130) 13.125 5.084 ( -10.731 0.000 -4.672) 11.704 5.343 ( 2.814 0.000 -0.531) 2.863 5.493 ( 0.497 0.000 -5.540) 5.562 5.564 ( -0.078 0.000 5.314) 5.315 5.578 ( -7.558 0.000 0.598) 7.582 5.821 ( 3.579 0.000 -0.322) 3.594 5.936 ( 0.506 0.000 5.284) 5.308 5.936 ( -8.139 0.000 4.861) 9.480 6.081 ( -4.531 0.000 -4.868) 6.650 6.416 ( 3.071 0.000 9.721) 10.194 6.473 ( 3.182 0.000 1.512) 3.523 6.615 ( 3.169 0.000 -0.129) 3.172 6.643 ( 4.748 0.000 -0.700) 4.799 6.771 ( 1.430 0.000 -2.295) 2.704 7.083 ( 1.062 0.000 -2.011) 2.274 7.260 ( 6.435 0.000 -2.435) 6.880 7.410 ( -2.586 0.000 3.824) 4.616 7.456 ( -4.987 0.000 -3.174) 5.911 7.864 ( 0.715 0.000 -4.435) 4.493 7.925 ( -4.435 0.000 2.806) 5.248 7.979 ( 1.133 0.000 -8.648) 8.722 8.207 ( -5.027 0.000 -1.686) 5.302 8.308 ( -8.259 0.000 5.246) 9.784 8.472 ( 0.669 0.000 -0.969) 1.177 8.585 ( -1.792 0.000 5.039) 5.349 8.691 ( 4.783 0.000 -4.937) 6.874 8.796 ( -4.563 0.000 -1.964) 4.967 8.959 ( 0.484 0.000 3.010) 3.049 9.123 ( -8.442 0.000 2.218) 8.729 9.159 ( -9.379 0.000 -1.817) 9.554 9.198 ( -6.472 0.000 -0.637) 6.504 9.412 ( 0.237 0.000 4.175) 4.181 9.450 ( 0.029 0.000 7.470) 7.470 9.729 ( 0.799 0.000 -1.713) 1.890 9.956 ( -13.439 0.000 -5.636) 14.573 10.121 ( -2.177 0.000 3.227) 3.893 10.370 ( -0.601 0.000 -1.967) 2.057 10.519 ( -2.840 0.000 3.706) 4.669 10.645 ( 6.094 0.000 5.557) 8.247 10.753 ( -6.448 0.000 -3.749) 7.458 10.809 ( -7.332 0.000 -5.984) 9.464 11.126 ( -3.801 0.000 2.827) 4.737 11.195 ( -8.547 0.000 1.659) 8.707 11.394 ( -7.402 0.000 -4.919) 8.887 11.669 ( 0.166 0.000 -6.217) 6.219 11.832 ( -17.309 0.000 4.303) 17.836 11.868 ( 2.438 0.000 0.189) 2.445 12.034 ( 0.009 0.000 3.785) 3.785 12.043 ( 6.867 0.000 4.166) 8.032 12.459 ( -2.876 0.000 0.128) 2.879 12.627 ( -2.209 0.000 -4.883) 5.360 12.803 ( -11.586 0.000 -0.674) 11.605 12.894 ( -2.474 0.000 -3.849) 4.576 13.100 ( -6.082 0.000 4.190) 7.386 13.137 ( 8.305 0.000 -0.629) 8.329 13.440 ( -5.082 0.000 -1.901) 5.426 13.624 ( -3.822 0.000 0.034) 3.822 13.967 ( 4.643 0.000 9.501) 10.574 14.040 ( -1.257 0.000 -2.685) 2.965 14.234 ( 11.467 0.000 -3.300) 11.933 14.346 ( 11.729 0.000 -9.861) 15.324 14.496 ( -1.672 0.000 5.556) 5.802 14.662 ( 5.558 0.000 -3.478) 6.556 15.552 ( 1.811 0.000 2.109) 2.780 15.588 ( -5.900 0.000 0.900) 5.969 15.865 ( 4.479 0.000 -3.373) 5.607 15.955 ( 0.453 0.000 -11.581) 11.590 16.179 ( -4.475 0.000 3.293) 5.556 16.582 ( 4.684 0.000 -0.862) 4.762 17.145 ( -15.734 0.000 34.817) 38.207 17.435 ( -2.566 0.000 -15.343) 15.556 18.111 ( -2.654 0.000 5.308) 5.935 18.228 ( 0.643 0.000 -0.880) 1.090 19.609 ( 1.589 0.000 -0.511) 1.669 20.343 ( 30.144 0.000 -35.082) 46.253 21.695 ( -7.455 0.000 1.911) 7.696 22.130 ( -5.659 0.000 9.236) 10.832 22.785 ( -4.774 0.000 13.138) 13.978 23.582 ( 0.510 0.000 2.512) 2.563 ======================= Grid point 102 (34/130) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 15.908 0.000 22.274) 27.372 2.137 ( 24.972 0.000 9.016) 26.549 2.437 ( -7.780 0.000 -8.452) 11.488 2.966 ( 14.040 0.000 -11.789) 18.333 3.107 ( 15.840 0.000 -3.132) 16.147 3.328 ( 34.203 0.000 2.232) 34.276 3.747 ( -0.165 0.000 3.410) 3.414 4.728 ( -8.342 0.000 10.085) 13.088 4.750 ( -6.205 0.000 -6.047) 8.664 4.880 ( -3.048 0.000 -3.172) 4.400 4.935 ( 1.589 0.000 -2.396) 2.875 4.990 ( 5.832 0.000 -15.231) 16.309 5.264 ( -11.404 0.000 1.708) 11.531 5.444 ( -6.515 0.000 1.089) 6.605 5.510 ( 1.157 0.000 0.235) 1.180 5.608 ( 4.221 0.000 6.332) 7.610 5.884 ( 2.602 0.000 3.800) 4.605 5.920 ( 5.223 0.000 4.732) 7.048 5.996 ( 4.905 0.000 0.008) 4.905 6.025 ( 0.387 0.000 -6.602) 6.613 6.550 ( 4.776 0.000 0.531) 4.806 6.563 ( 7.211 0.000 11.645) 13.697 6.694 ( 5.394 0.000 0.961) 5.479 6.733 ( 4.401 0.000 -0.065) 4.402 6.793 ( 1.394 0.000 -1.134) 1.797 7.046 ( -3.025 0.000 -2.798) 4.121 7.308 ( -5.294 0.000 -5.396) 7.559 7.326 ( -8.630 0.000 6.835) 11.009 7.380 ( 4.451 0.000 -2.533) 5.121 7.832 ( -7.197 0.000 2.689) 7.683 7.835 ( -0.777 0.000 -4.313) 4.383 7.972 ( -0.715 0.000 -5.976) 6.019 8.132 ( -0.395 0.000 -2.849) 2.876 8.179 ( -6.762 0.000 5.757) 8.881 8.450 ( -1.278 0.000 -6.491) 6.615 8.540 ( -3.800 0.000 3.294) 5.029 8.758 ( -0.564 0.000 -1.245) 1.367 8.802 ( 6.212 0.000 -0.174) 6.214 8.972 ( -9.106 0.000 3.914) 9.912 8.973 ( 1.738 0.000 -5.366) 5.641 8.998 ( -6.055 0.000 0.862) 6.116 9.080 ( -4.660 0.000 -1.492) 4.893 9.422 ( -1.174 0.000 5.585) 5.707 9.508 ( 3.069 0.000 7.482) 8.087 9.650 ( -12.100 0.000 1.482) 12.190 9.752 ( -1.779 0.000 -4.754) 5.076 10.072 ( -3.567 0.000 0.930) 3.686 10.216 ( -11.646 0.000 2.590) 11.930 10.552 ( -0.836 0.000 -2.824) 2.945 10.553 ( -11.076 0.000 -6.616) 12.902 10.697 ( 3.316 0.000 1.128) 3.502 10.781 ( 0.320 0.000 4.053) 4.065 11.079 ( -2.161 0.000 1.915) 2.888 11.159 ( 2.696 0.000 3.335) 4.289 11.187 ( -12.306 0.000 -3.414) 12.771 11.555 ( -11.762 0.000 2.314) 11.987 11.631 ( -1.489 0.000 -7.736) 7.878 11.845 ( -3.764 0.000 -1.917) 4.224 12.065 ( 1.448 0.000 3.552) 3.836 12.170 ( 2.194 0.000 3.334) 3.991 12.331 ( -15.271 0.000 1.320) 15.328 12.390 ( -3.808 0.000 -0.813) 3.894 12.842 ( -4.011 0.000 6.458) 7.602 12.860 ( 5.293 0.000 3.378) 6.279 13.040 ( -0.236 0.000 -2.849) 2.859 13.243 ( 3.810 0.000 -6.413) 7.460 13.386 ( 2.106 0.000 -7.974) 8.248 13.548 ( -2.578 0.000 3.810) 4.600 14.005 ( -1.055 0.000 -6.183) 6.273 14.102 ( 5.408 0.000 4.370) 6.953 14.401 ( 4.697 0.000 -0.356) 4.711 14.451 ( 3.897 0.000 -3.403) 5.174 14.512 ( 3.336 0.000 3.265) 4.669 14.738 ( 2.510 0.000 -0.563) 2.572 15.497 ( -4.821 0.000 5.107) 7.023 15.578 ( 0.242 0.000 -0.805) 0.840 15.827 ( -4.154 0.000 -2.718) 4.964 15.888 ( -2.043 0.000 -13.694) 13.846 16.267 ( 9.341 0.000 6.360) 11.301 16.644 ( 1.566 0.000 2.295) 2.779 17.036 ( -9.158 0.000 24.977) 26.603 17.353 ( 0.093 0.000 -16.233) 16.233 18.066 ( -4.765 0.000 7.661) 9.022 18.246 ( 1.762 0.000 -1.374) 2.234 19.606 ( -1.577 0.000 0.761) 1.751 20.686 ( 20.686 0.000 -32.041) 38.138 21.598 ( -3.354 0.000 0.515) 3.393 22.050 ( -6.399 0.000 8.592) 10.713 22.745 ( -4.915 0.000 13.783) 14.633 23.574 ( -1.787 0.000 0.634) 1.896 ======================= Grid point 103 (35/130) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 8.659 0.000 14.796) 17.144 2.312 ( -1.749 0.000 -7.577) 7.776 2.603 ( 19.980 0.000 6.427) 20.988 3.112 ( 5.357 0.000 -16.184) 17.048 3.347 ( 10.769 0.000 -6.505) 12.581 3.602 ( 3.725 0.000 -4.329) 5.711 3.986 ( 12.825 0.000 8.732) 15.516 4.559 ( -6.032 0.000 -0.299) 6.040 4.603 ( -7.522 0.000 8.784) 11.565 4.780 ( -15.452 0.000 0.546) 15.461 4.883 ( -2.285 0.000 -1.583) 2.779 5.000 ( 1.889 0.000 -15.106) 15.223 5.119 ( 1.585 0.000 -4.078) 4.376 5.363 ( -0.537 0.000 -0.537) 0.760 5.554 ( 3.226 0.000 0.120) 3.228 5.750 ( 6.544 0.000 7.591) 10.022 5.910 ( -3.566 0.000 4.751) 5.941 6.022 ( 2.587 0.000 6.281) 6.793 6.077 ( 6.770 0.000 -8.361) 10.758 6.108 ( 6.378 0.000 -0.697) 6.416 6.644 ( 4.063 0.000 1.496) 4.330 6.729 ( 3.964 0.000 13.424) 13.997 6.793 ( 0.735 0.000 3.915) 3.983 6.804 ( 4.188 0.000 0.714) 4.248 6.817 ( 2.631 0.000 -3.460) 4.346 7.028 ( 4.801 0.000 -0.489) 4.825 7.151 ( -12.386 0.000 7.829) 14.653 7.155 ( -7.326 0.000 -6.239) 9.623 7.470 ( 4.646 0.000 -2.260) 5.166 7.697 ( -6.866 0.000 1.105) 6.955 7.814 ( 0.533 0.000 -5.522) 5.548 7.906 ( -3.335 0.000 -2.103) 3.942 8.095 ( -4.712 0.000 4.221) 6.326 8.183 ( 6.029 0.000 -2.997) 6.733 8.410 ( 0.484 0.000 -7.048) 7.065 8.480 ( -4.387 0.000 2.319) 4.962 8.679 ( -5.723 0.000 -7.498) 9.432 8.840 ( -4.458 0.000 1.943) 4.863 8.882 ( -2.051 0.000 7.854) 8.118 8.886 ( -0.405 0.000 -2.730) 2.759 9.018 ( -1.797 0.000 -0.477) 1.859 9.089 ( 8.401 0.000 -4.483) 9.523 9.418 ( -1.238 0.000 6.693) 6.807 9.447 ( -8.985 0.000 4.871) 10.220 9.627 ( 7.084 0.000 5.484) 8.959 9.739 ( 1.192 0.000 -2.288) 2.580 10.008 ( -3.150 0.000 -0.343) 3.169 10.021 ( -9.446 0.000 3.065) 9.931 10.334 ( -9.594 0.000 -4.518) 10.605 10.489 ( -2.829 0.000 -4.488) 5.305 10.766 ( -2.546 0.000 6.698) 7.166 10.785 ( 2.981 0.000 0.616) 3.044 10.943 ( -11.051 0.000 -0.804) 11.080 11.064 ( -0.341 0.000 3.927) 3.942 11.224 ( 0.567 0.000 -0.559) 0.796 11.444 ( 0.108 0.000 -0.494) 0.506 11.549 ( -2.783 0.000 -11.602) 11.931 11.762 ( -3.172 0.000 -4.505) 5.510 12.033 ( -8.971 0.000 3.558) 9.651 12.102 ( 0.429 0.000 6.729) 6.743 12.280 ( -0.510 0.000 7.091) 7.109 12.332 ( -1.432 0.000 -1.391) 1.996 12.771 ( -5.804 0.000 5.001) 7.662 12.876 ( -4.677 0.000 0.310) 4.688 13.082 ( 5.072 0.000 -0.291) 5.080 13.278 ( 3.796 0.000 -4.980) 6.261 13.453 ( 8.363 0.000 -10.674) 13.560 13.588 ( 3.575 0.000 2.314) 4.258 13.949 ( -1.717 0.000 -4.369) 4.695 14.168 ( 0.480 0.000 -0.669) 0.824 14.423 ( -0.231 0.000 0.056) 0.237 14.506 ( 3.000 0.000 0.053) 3.001 14.623 ( 5.253 0.000 1.692) 5.519 14.741 ( -2.685 0.000 3.674) 4.550 15.451 ( -2.665 0.000 7.282) 7.755 15.546 ( -1.885 0.000 -5.931) 6.224 15.782 ( -0.581 0.000 3.873) 3.916 15.786 ( -2.334 0.000 -16.717) 16.879 16.475 ( 8.531 0.000 5.315) 10.051 16.656 ( -2.746 0.000 9.172) 9.574 16.973 ( -5.190 0.000 10.723) 11.913 17.313 ( 2.732 0.000 -16.141) 16.371 18.001 ( -5.543 0.000 10.637) 11.995 18.278 ( 1.951 0.000 -1.087) 2.234 19.579 ( -1.495 0.000 3.313) 3.635 20.858 ( 10.435 0.000 -33.351) 34.945 21.604 ( 3.888 0.000 5.053) 6.376 21.956 ( -6.438 0.000 5.014) 8.160 22.713 ( -4.385 0.000 15.505) 16.113 23.531 ( -2.238 0.000 -2.053) 3.036 ======================= Grid point 104 (36/130) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 0.654 0.000 -3.585) 3.645 2.351 ( -7.515 0.000 7.392) 10.541 2.871 ( 3.526 0.000 6.058) 7.009 3.108 ( 4.028 0.000 -15.307) 15.828 3.468 ( 6.832 0.000 -8.356) 10.793 3.534 ( -9.346 0.000 -11.343) 14.697 4.101 ( -2.622 0.000 9.052) 9.424 4.423 ( -18.981 0.000 0.156) 18.981 4.577 ( 0.293 0.000 4.277) 4.287 4.584 ( 6.037 0.000 7.593) 9.700 4.865 ( 3.527 0.000 1.746) 3.935 5.001 ( 5.716 0.000 -13.524) 14.683 5.226 ( 6.582 0.000 -1.727) 6.805 5.384 ( 2.097 0.000 -1.869) 2.809 5.651 ( 8.832 0.000 -5.945) 10.647 5.796 ( -7.141 0.000 -0.375) 7.150 5.898 ( 3.200 0.000 9.474) 10.000 6.036 ( -4.250 0.000 5.066) 6.613 6.138 ( 2.244 0.000 -4.458) 4.991 6.189 ( 0.460 0.000 3.491) 3.522 6.654 ( -4.806 0.000 1.587) 5.061 6.776 ( -2.206 0.000 9.939) 10.181 6.807 ( -0.918 0.000 5.562) 5.638 6.867 ( 3.441 0.000 -1.896) 3.929 6.868 ( 1.422 0.000 2.278) 2.686 6.970 ( -8.717 0.000 -3.870) 9.537 6.975 ( -6.446 0.000 4.717) 7.988 7.233 ( 12.378 0.000 1.891) 12.521 7.525 ( 2.874 0.000 -3.982) 4.911 7.599 ( -4.600 0.000 1.841) 4.955 7.811 ( 1.524 0.000 -5.355) 5.568 7.861 ( -0.377 0.000 -2.406) 2.436 8.038 ( -2.205 0.000 2.225) 3.133 8.295 ( 3.490 0.000 1.981) 4.013 8.388 ( -1.526 0.000 -5.088) 5.311 8.424 ( 3.606 0.000 -5.950) 6.957 8.583 ( -1.923 0.000 -4.667) 5.047 8.762 ( -2.388 0.000 -0.058) 2.388 8.887 ( 0.306 0.000 -1.604) 1.633 8.902 ( 0.593 0.000 6.365) 6.392 9.002 ( 0.285 0.000 -0.577) 0.644 9.192 ( 3.433 0.000 -1.701) 3.831 9.384 ( 0.179 0.000 7.781) 7.783 9.442 ( 0.788 0.000 7.934) 7.973 9.788 ( 4.750 0.000 -0.700) 4.802 9.790 ( 5.313 0.000 2.115) 5.719 9.901 ( -4.418 0.000 2.945) 5.309 9.961 ( -0.798 0.000 -0.457) 0.919 10.171 ( -4.630 0.000 -1.807) 4.970 10.422 ( -2.168 0.000 -6.303) 6.665 10.779 ( -3.080 0.000 -1.100) 3.270 10.786 ( 2.881 0.000 6.778) 7.364 10.809 ( -3.090 0.000 2.624) 4.054 11.097 ( 1.605 0.000 4.792) 5.053 11.194 ( -1.435 0.000 -4.411) 4.638 11.475 ( 0.374 0.000 -12.207) 12.213 11.480 ( 1.377 0.000 -0.253) 1.400 11.689 ( -2.177 0.000 -7.038) 7.367 11.988 ( 2.485 0.000 7.336) 7.746 12.139 ( 0.692 0.000 7.977) 8.007 12.267 ( -3.315 0.000 6.564) 7.354 12.333 ( 1.966 0.000 -1.295) 2.354 12.676 ( -5.133 0.000 0.229) 5.138 12.762 ( -4.706 0.000 -5.069) 6.917 13.208 ( 6.618 0.000 6.781) 9.475 13.326 ( 2.800 0.000 -3.780) 4.704 13.574 ( -6.360 0.000 -3.689) 7.352 13.589 ( 9.251 0.000 -8.608) 12.637 13.984 ( 5.890 0.000 2.735) 6.494 14.117 ( -4.583 0.000 -4.099) 6.149 14.419 ( 0.102 0.000 -0.379) 0.393 14.562 ( 3.233 0.000 -2.151) 3.883 14.684 ( -4.901 0.000 6.693) 8.295 14.694 ( 1.327 0.000 2.470) 2.804 15.449 ( -0.712 0.000 7.428) 7.462 15.487 ( -1.328 0.000 -6.435) 6.570 15.679 ( -1.654 0.000 -18.387) 18.461 15.818 ( 2.269 0.000 4.706) 5.225 16.555 ( -3.016 0.000 3.467) 4.595 16.614 ( -6.091 0.000 13.546) 14.852 16.915 ( -3.482 0.000 0.131) 3.484 17.371 ( 10.168 0.000 -12.948) 16.463 17.950 ( -4.423 0.000 12.282) 13.054 18.305 ( 1.102 0.000 -0.370) 1.163 19.593 ( 1.269 0.000 5.766) 5.904 20.832 ( 1.476 0.000 -32.163) 32.197 21.783 ( 11.705 0.000 7.074) 13.677 21.851 ( -5.649 0.000 0.200) 5.652 22.706 ( -3.082 0.000 17.984) 18.246 23.482 ( -1.493 0.000 -4.321) 4.571 ======================= Grid point 105 (37/130) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -20.038 0.000 2.709) 20.220 2.251 ( -6.304 0.000 -0.590) 6.332 2.795 ( -10.404 0.000 8.814) 13.636 3.170 ( 4.394 0.000 -8.744) 9.786 3.252 ( -10.515 0.000 -14.575) 17.972 3.545 ( 0.782 0.000 -2.252) 2.384 3.934 ( -18.979 0.000 10.104) 21.501 4.086 ( -12.444 0.000 -9.168) 15.456 4.679 ( 9.579 0.000 -5.700) 11.146 4.837 ( 15.880 0.000 5.079) 16.672 4.980 ( 6.219 0.000 3.364) 7.071 5.130 ( 11.505 0.000 -6.342) 13.137 5.298 ( 1.315 0.000 2.954) 3.234 5.409 ( 1.171 0.000 -1.394) 1.821 5.603 ( -12.499 0.000 -0.320) 12.504 5.800 ( 0.639 0.000 1.518) 1.647 5.885 ( -5.875 0.000 -4.493) 7.396 5.977 ( 1.256 0.000 7.767) 7.868 6.141 ( -0.147 0.000 -2.459) 2.463 6.142 ( -6.797 0.000 10.843) 12.797 6.568 ( -1.924 0.000 -2.533) 3.181 6.725 ( -12.933 0.000 1.779) 13.055 6.752 ( -4.408 0.000 7.754) 8.919 6.762 ( -5.762 0.000 3.217) 6.599 6.886 ( -0.637 0.000 1.952) 2.054 6.937 ( 3.351 0.000 -4.104) 5.298 7.005 ( 5.969 0.000 0.779) 6.019 7.404 ( 2.018 0.000 -2.760) 3.419 7.531 ( -0.815 0.000 5.608) 5.667 7.603 ( 6.976 0.000 -1.719) 7.184 7.825 ( 1.488 0.000 -6.627) 6.792 7.881 ( 4.375 0.000 -2.159) 4.879 8.034 ( 0.720 0.000 1.233) 1.428 8.264 ( -2.225 0.000 1.362) 2.609 8.487 ( 8.292 0.000 -2.829) 8.761 8.491 ( 5.185 0.000 -3.513) 6.263 8.551 ( 0.633 0.000 -2.934) 3.001 8.767 ( 3.081 0.000 -0.709) 3.162 8.890 ( 0.678 0.000 -0.405) 0.789 8.941 ( 1.424 0.000 3.082) 3.395 9.018 ( 1.550 0.000 -1.253) 1.993 9.212 ( -0.594 0.000 -0.545) 0.806 9.497 ( 1.414 0.000 8.903) 9.015 9.516 ( 9.864 0.000 8.207) 12.832 9.720 ( -10.985 0.000 4.619) 11.917 9.850 ( 0.739 0.000 -0.952) 1.205 9.941 ( 8.263 0.000 4.366) 9.346 9.946 ( -1.488 0.000 0.789) 1.684 10.264 ( 12.776 0.000 -6.673) 14.414 10.348 ( -2.953 0.000 -9.465) 9.915 10.710 ( -2.296 0.000 -0.738) 2.411 10.831 ( 2.894 0.000 5.201) 5.952 10.935 ( 9.047 0.000 3.858) 9.835 11.153 ( 2.501 0.000 4.824) 5.434 11.157 ( 0.490 0.000 -2.244) 2.297 11.446 ( 0.306 0.000 -12.107) 12.111 11.470 ( -1.839 0.000 0.880) 2.039 11.644 ( 1.109 0.000 -8.317) 8.391 12.175 ( 11.527 0.000 6.887) 13.428 12.187 ( 0.677 0.000 8.209) 8.237 12.222 ( -1.862 0.000 5.306) 5.623 12.382 ( 3.402 0.000 -0.562) 3.448 12.588 ( -3.625 0.000 -2.589) 4.454 12.694 ( 0.237 0.000 -6.336) 6.341 13.364 ( -3.076 0.000 -2.649) 4.059 13.369 ( 6.529 0.000 10.959) 12.756 13.385 ( -3.780 0.000 -6.755) 7.740 13.705 ( 4.339 0.000 0.310) 4.350 13.974 ( -8.038 0.000 -8.107) 11.417 14.095 ( 3.030 0.000 2.603) 3.995 14.417 ( -1.355 0.000 1.718) 2.188 14.615 ( 2.236 0.000 -3.348) 4.026 14.626 ( -1.087 0.000 1.135) 1.571 14.696 ( -1.978 0.000 3.348) 3.889 15.458 ( 0.708 0.000 -4.668) 4.721 15.471 ( 0.450 0.000 1.546) 1.611 15.593 ( -0.436 0.000 -12.187) 12.195 15.893 ( 4.121 0.000 2.008) 4.584 16.414 ( -11.590 0.000 3.409) 12.081 16.542 ( -6.850 0.000 12.733) 14.459 16.837 ( -4.154 0.000 -3.601) 5.497 17.566 ( 13.655 0.000 -8.792) 16.241 17.930 ( -2.884 0.000 11.983) 12.325 18.314 ( -0.206 0.000 0.362) 0.416 19.662 ( 2.932 0.000 6.639) 7.258 20.705 ( -1.697 0.000 -29.494) 29.542 21.760 ( -2.816 0.000 -3.856) 4.775 22.060 ( 14.208 0.000 6.968) 15.824 22.741 ( -1.146 0.000 21.739) 21.769 23.445 ( -0.411 0.000 -5.750) 5.765 ======================= Grid point 106 (38/130) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -23.947 0.000 6.851) 24.907 1.972 ( -23.694 0.000 5.880) 24.413 2.680 ( -5.365 0.000 5.519) 7.697 2.946 ( -12.165 0.000 -8.982) 15.122 3.308 ( 8.041 0.000 -11.295) 13.865 3.426 ( -11.487 0.000 8.739) 14.433 3.472 ( -33.945 0.000 13.952) 36.700 3.957 ( 3.765 0.000 -23.008) 23.314 4.850 ( 10.429 0.000 -8.364) 13.369 5.031 ( 2.306 0.000 2.576) 3.457 5.191 ( 12.653 0.000 4.216) 13.337 5.266 ( -3.954 0.000 -3.162) 5.063 5.322 ( -9.080 0.000 0.995) 9.134 5.337 ( 4.238 0.000 0.638) 4.285 5.519 ( 10.775 0.000 -1.094) 10.830 5.554 ( -14.656 0.000 5.585) 15.684 5.960 ( 3.303 0.000 -0.570) 3.351 6.000 ( -2.062 0.000 6.800) 7.105 6.082 ( -2.661 0.000 9.130) 9.510 6.128 ( 0.162 0.000 -0.836) 0.851 6.506 ( -10.296 0.000 2.584) 10.615 6.547 ( 0.192 0.000 -3.781) 3.785 6.633 ( -8.452 0.000 0.564) 8.471 6.675 ( -5.575 0.000 4.342) 7.066 6.881 ( -0.932 0.000 3.535) 3.656 6.985 ( 2.916 0.000 -4.907) 5.708 7.136 ( 7.346 0.000 -0.878) 7.398 7.333 ( -5.278 0.000 -2.662) 5.911 7.558 ( 0.635 0.000 0.430) 0.767 7.773 ( 9.186 0.000 1.957) 9.392 7.821 ( 1.490 0.000 -7.173) 7.326 7.995 ( 7.806 0.000 -2.690) 8.256 8.066 ( 2.438 0.000 1.157) 2.699 8.266 ( 1.722 0.000 0.853) 1.922 8.543 ( 0.808 0.000 2.833) 2.946 8.570 ( 3.397 0.000 -0.873) 3.507 8.682 ( 11.474 0.000 -2.575) 11.759 8.851 ( 4.389 0.000 -1.107) 4.527 8.924 ( 3.367 0.000 3.131) 4.598 8.979 ( 2.387 0.000 -0.404) 2.421 9.046 ( 2.218 0.000 -3.059) 3.778 9.178 ( -2.282 0.000 -0.098) 2.284 9.503 ( -10.005 0.000 3.622) 10.640 9.579 ( 0.150 0.000 12.837) 12.838 9.767 ( 12.373 0.000 6.756) 14.097 9.881 ( 2.663 0.000 0.967) 2.833 9.936 ( 0.500 0.000 -1.687) 1.760 10.131 ( 7.415 0.000 0.070) 7.416 10.249 ( -0.802 0.000 -8.863) 8.900 10.438 ( 6.969 0.000 -6.666) 9.643 10.733 ( 5.124 0.000 0.863) 5.196 10.872 ( -2.070 0.000 -1.832) 2.764 11.050 ( 5.897 0.000 4.055) 7.157 11.224 ( 2.196 0.000 6.565) 6.922 11.349 ( 16.789 0.000 1.990) 16.907 11.381 ( -1.257 0.000 -12.999) 13.060 11.463 ( 2.534 0.000 2.070) 3.273 11.664 ( 3.948 0.000 -9.146) 9.962 12.123 ( -6.529 0.000 3.129) 7.240 12.200 ( -3.000 0.000 6.615) 7.264 12.455 ( 3.876 0.000 2.162) 4.438 12.513 ( 14.952 0.000 1.390) 15.016 12.522 ( -2.196 0.000 -4.179) 4.721 12.740 ( 7.706 0.000 1.132) 7.789 13.137 ( -11.283 0.000 -4.624) 12.194 13.485 ( 9.202 0.000 -5.489) 10.714 13.513 ( 3.991 0.000 8.145) 9.070 13.733 ( -9.263 0.000 10.034) 13.656 13.786 ( -1.940 0.000 -8.561) 8.778 14.098 ( -3.453 0.000 0.670) 3.517 14.366 ( -4.042 0.000 2.058) 4.536 14.568 ( -2.578 0.000 -0.762) 2.689 14.640 ( -6.120 0.000 3.842) 7.226 14.709 ( 8.202 0.000 -11.498) 14.123 15.428 ( -1.775 0.000 -14.682) 14.789 15.477 ( 2.109 0.000 -1.081) 2.369 15.627 ( 4.718 0.000 7.398) 8.775 15.960 ( 1.411 0.000 -5.558) 5.734 16.230 ( -7.266 0.000 8.961) 11.536 16.460 ( -6.132 0.000 8.795) 10.722 16.736 ( -5.212 0.000 -2.068) 5.607 17.770 ( 10.374 0.000 -6.067) 12.017 17.932 ( -1.495 0.000 10.410) 10.516 18.301 ( -1.300 0.000 0.811) 1.532 19.722 ( 0.190 0.000 5.179) 5.183 20.552 ( -2.967 0.000 -27.566) 27.725 21.737 ( 2.908 0.000 -5.633) 6.340 22.343 ( 12.897 0.000 4.213) 13.568 22.847 ( 2.908 0.000 29.015) 29.160 23.423 ( 0.512 0.000 -6.142) 6.163 ======================= Grid point 107 (39/130) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -23.638 0.000 17.514) 29.419 1.486 ( -30.619 0.000 14.542) 33.897 2.552 ( -40.763 0.000 11.751) 42.424 2.569 ( -6.825 0.000 -3.377) 7.615 2.897 ( -15.676 0.000 -0.857) 15.699 3.320 ( -3.581 0.000 12.125) 12.643 3.459 ( 9.060 0.000 -6.035) 10.885 3.974 ( 7.402 0.000 -25.626) 26.674 4.893 ( -9.835 0.000 2.875) 10.247 5.037 ( -0.567 0.000 -3.653) 3.696 5.109 ( 2.013 0.000 -6.245) 6.561 5.206 ( -7.189 0.000 -2.915) 7.758 5.323 ( 1.289 0.000 11.218) 11.291 5.382 ( -4.757 0.000 1.346) 4.943 5.516 ( 11.611 0.000 -5.947) 13.045 5.785 ( 13.396 0.000 1.938) 13.535 5.948 ( -4.783 0.000 3.345) 5.836 6.018 ( 2.212 0.000 16.669) 16.815 6.084 ( -1.071 0.000 3.414) 3.578 6.171 ( 4.795 0.000 -0.114) 4.797 6.380 ( -4.288 0.000 4.099) 5.932 6.457 ( -9.202 0.000 -3.273) 9.767 6.541 ( 0.147 0.000 -1.733) 1.739 6.604 ( -2.777 0.000 1.051) 2.969 6.879 ( -0.611 0.000 2.601) 2.672 6.990 ( -0.286 0.000 -6.300) 6.306 7.207 ( -7.478 0.000 -1.676) 7.663 7.251 ( 5.102 0.000 -2.103) 5.518 7.554 ( -0.814 0.000 0.664) 1.051 7.837 ( 2.960 0.000 -7.764) 8.309 7.925 ( 6.516 0.000 -1.393) 6.663 8.130 ( 7.407 0.000 -2.195) 7.725 8.154 ( 6.496 0.000 2.260) 6.878 8.320 ( 3.402 0.000 0.066) 3.403 8.568 ( -0.124 0.000 3.118) 3.120 8.589 ( -1.499 0.000 1.407) 2.056 8.869 ( -1.935 0.000 0.118) 1.938 8.919 ( 14.214 0.000 0.456) 14.222 9.031 ( 2.827 0.000 8.333) 8.799 9.047 ( 5.410 0.000 -0.587) 5.442 9.079 ( 3.368 0.000 -5.231) 6.222 9.161 ( 1.659 0.000 -1.391) 2.165 9.341 ( -6.924 0.000 4.516) 8.267 9.643 ( -0.419 0.000 11.852) 11.860 9.905 ( -3.245 0.000 0.032) 3.245 9.956 ( 3.070 0.000 -2.697) 4.086 9.998 ( 9.244 0.000 5.152) 10.582 10.127 ( 3.578 0.000 -5.804) 6.818 10.374 ( 9.505 0.000 -1.775) 9.669 10.472 ( -0.308 0.000 -2.426) 2.446 10.808 ( -1.562 0.000 -3.588) 3.913 10.881 ( 7.946 0.000 1.120) 8.024 11.219 ( 9.253 0.000 2.131) 9.495 11.233 ( -0.984 0.000 -6.215) 6.292 11.368 ( 2.283 0.000 4.021) 4.624 11.497 ( 6.234 0.000 -5.741) 8.475 11.709 ( 4.551 0.000 -9.362) 10.410 11.762 ( 18.792 0.000 6.949) 20.035 12.013 ( -5.425 0.000 2.435) 5.947 12.120 ( -7.558 0.000 4.459) 8.775 12.442 ( -4.129 0.000 -11.160) 11.899 12.534 ( 1.452 0.000 7.739) 7.874 12.625 ( 0.640 0.000 -3.351) 3.411 12.911 ( -6.399 0.000 -3.818) 7.452 13.066 ( 16.156 0.000 6.734) 17.503 13.483 ( -10.936 0.000 -8.890) 14.093 13.578 ( -0.988 0.000 3.642) 3.773 13.639 ( 6.852 0.000 -3.711) 7.792 13.802 ( -2.249 0.000 14.720) 14.891 13.998 ( -4.111 0.000 -3.153) 5.181 14.319 ( -1.875 0.000 1.556) 2.437 14.487 ( -10.859 0.000 3.380) 11.373 14.522 ( -0.676 0.000 -6.909) 6.942 14.823 ( 8.718 0.000 -16.539) 18.696 15.336 ( -2.481 0.000 -6.432) 6.894 15.508 ( 0.609 0.000 1.868) 1.965 15.793 ( 9.008 0.000 9.398) 13.018 15.854 ( -7.530 0.000 -5.022) 9.051 16.276 ( 5.756 0.000 6.660) 8.803 16.387 ( -4.015 0.000 4.205) 5.814 16.637 ( -5.213 0.000 3.836) 6.472 17.888 ( 4.001 0.000 -5.592) 6.875 17.958 ( 0.637 0.000 9.124) 9.146 18.275 ( -1.659 0.000 0.862) 1.870 19.691 ( -4.937 0.000 2.369) 5.476 20.372 ( -5.593 0.000 -27.524) 28.087 21.831 ( 8.879 0.000 -4.694) 10.043 22.545 ( 7.504 0.000 -0.286) 7.510 23.112 ( 12.611 0.000 35.795) 37.952 23.416 ( 1.122 0.000 -5.371) 5.487 ======================= Grid point 108 (40/130) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -23.012 0.000 27.512) 35.868 0.998 ( -27.703 0.000 26.824) 38.561 1.720 ( -49.601 0.000 39.183) 63.210 2.456 ( -1.099 0.000 -11.168) 11.222 2.751 ( -1.952 0.000 -11.630) 11.793 3.316 ( -4.129 0.000 12.510) 13.174 3.608 ( 8.454 0.000 -2.855) 8.923 4.041 ( 10.781 0.000 -26.051) 28.194 4.690 ( -9.490 0.000 6.419) 11.457 5.009 ( -10.414 0.000 4.400) 11.306 5.010 ( 0.348 0.000 -6.811) 6.820 5.232 ( 8.341 0.000 -7.489) 11.210 5.306 ( -2.520 0.000 3.891) 4.636 5.441 ( 5.876 0.000 -0.456) 5.893 5.673 ( 7.727 0.000 -1.386) 7.851 5.821 ( -6.724 0.000 2.163) 7.064 6.005 ( 5.917 0.000 0.922) 5.989 6.038 ( -5.178 0.000 7.217) 8.882 6.198 ( 3.414 0.000 8.125) 8.813 6.290 ( 7.382 0.000 -2.448) 7.777 6.294 ( -2.232 0.000 2.699) 3.502 6.383 ( 2.703 0.000 3.052) 4.077 6.546 ( 1.155 0.000 -1.957) 2.272 6.578 ( -0.596 0.000 0.066) 0.600 6.880 ( 0.213 0.000 1.479) 1.494 6.928 ( -3.025 0.000 -7.216) 7.824 7.054 ( -7.465 0.000 2.208) 7.785 7.307 ( 2.135 0.000 -3.518) 4.115 7.547 ( -0.394 0.000 1.540) 1.589 7.825 ( -2.713 0.000 -9.117) 9.512 8.014 ( 4.581 0.000 -4.779) 6.620 8.251 ( 5.970 0.000 -2.380) 6.427 8.292 ( 5.614 0.000 0.472) 5.633 8.373 ( 0.731 0.000 -1.790) 1.933 8.519 ( -5.268 0.000 -4.994) 7.259 8.557 ( -1.877 0.000 6.592) 6.854 8.798 ( -5.548 0.000 3.171) 6.390 9.010 ( -6.840 0.000 3.540) 7.702 9.152 ( 6.808 0.000 -5.382) 8.678 9.186 ( 10.225 0.000 -0.128) 10.226 9.211 ( 13.345 0.000 5.990) 14.628 9.216 ( 3.733 0.000 1.339) 3.966 9.332 ( 2.215 0.000 6.865) 7.214 9.624 ( -5.214 0.000 7.903) 9.468 9.726 ( -11.731 0.000 -10.419) 15.690 10.029 ( 4.477 0.000 -1.104) 4.612 10.187 ( 6.540 0.000 -1.232) 6.655 10.378 ( 28.054 0.000 31.143) 41.916 10.458 ( -0.343 0.000 1.443) 1.483 10.530 ( 9.344 0.000 -10.285) 13.896 10.804 ( 2.271 0.000 -1.543) 2.746 10.903 ( -5.191 0.000 -9.961) 11.233 11.249 ( 4.146 0.000 -3.861) 5.666 11.389 ( 8.461 0.000 -0.612) 8.483 11.441 ( 0.733 0.000 16.867) 16.883 11.585 ( 4.186 0.000 -6.621) 7.833 11.757 ( 3.871 0.000 -7.754) 8.667 11.914 ( -3.692 0.000 5.092) 6.290 11.972 ( -9.546 0.000 2.299) 9.819 12.117 ( 12.931 0.000 0.685) 12.949 12.195 ( -17.756 0.000 -14.777) 23.101 12.574 ( -0.029 0.000 7.800) 7.800 12.600 ( -0.970 0.000 -1.575) 1.850 12.782 ( -4.626 0.000 -1.226) 4.786 13.276 ( -6.614 0.000 -5.082) 8.341 13.365 ( 10.454 0.000 1.767) 10.602 13.565 ( -1.725 0.000 4.354) 4.684 13.645 ( -2.850 0.000 1.581) 3.259 13.766 ( -7.148 0.000 8.690) 11.252 14.001 ( 2.910 0.000 -6.565) 7.181 14.214 ( -8.768 0.000 -0.611) 8.789 14.387 ( 0.352 0.000 3.545) 3.562 14.489 ( 0.580 0.000 -11.186) 11.201 14.794 ( -7.263 0.000 -22.355) 23.506 15.395 ( 10.431 0.000 11.005) 15.163 15.512 ( -0.888 0.000 2.494) 2.647 15.715 ( -5.097 0.000 -1.793) 5.403 15.979 ( 5.039 0.000 2.189) 5.494 16.360 ( 0.397 0.000 0.150) 0.424 16.400 ( 4.293 0.000 2.233) 4.839 16.656 ( 8.970 0.000 19.624) 21.577 17.873 ( -2.619 0.000 -7.011) 7.485 18.024 ( 2.460 0.000 7.382) 7.781 18.250 ( -1.327 0.000 0.603) 1.457 19.585 ( -5.687 0.000 0.348) 5.698 20.077 ( -16.948 0.000 -28.375) 33.051 22.004 ( 9.711 0.000 -1.668) 9.853 22.632 ( 2.403 0.000 -2.374) 3.378 23.427 ( 1.961 0.000 -3.487) 4.001 23.522 ( 12.744 0.000 14.128) 19.026 ======================= Grid point 109 (41/130) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -4.194 24.560 21.678) 33.026 1.268 ( -3.069 24.591 33.833) 41.939 1.801 ( -7.546 49.983 28.601) 58.080 2.470 ( 6.279 2.532 -16.556) 17.887 2.791 ( 0.162 9.911 -11.756) 15.377 3.256 ( -10.903 2.619 10.496) 15.359 3.648 ( 8.445 -7.039 -3.078) 11.417 4.203 ( 6.609 -1.161 -15.606) 16.988 4.624 ( 1.245 -1.645 3.587) 4.138 4.800 ( -4.460 -3.509 6.224) 8.423 5.075 ( 0.057 8.060 -1.512) 8.200 5.291 ( -3.135 -6.076 2.369) 7.236 5.348 ( -2.177 5.156 2.860) 6.285 5.374 ( 4.389 -3.812 2.483) 6.322 5.629 ( -7.194 -5.326 -5.538) 10.526 5.753 ( 1.166 2.791 -3.073) 4.312 5.846 ( -6.053 1.466 3.920) 7.358 6.011 ( -3.129 -1.114 3.514) 4.835 6.127 ( -0.096 3.366 -1.155) 3.560 6.246 ( 3.539 -1.943 2.457) 4.727 6.377 ( -1.430 -3.175 0.557) 3.526 6.497 ( 0.206 7.435 0.224) 7.441 6.614 ( 2.497 5.750 -0.592) 6.297 6.712 ( 3.457 6.175 -2.783) 7.604 6.858 ( -6.404 1.306 -0.400) 6.548 7.041 ( 1.486 5.267 4.173) 6.882 7.262 ( 4.760 5.316 -10.667) 12.833 7.518 ( -10.410 9.643 -12.596) 18.974 7.616 ( -1.661 12.379 -1.589) 12.591 7.834 ( 10.714 16.144 -5.580) 20.163 8.053 ( -0.935 -0.031 -1.962) 2.174 8.160 ( -9.718 -2.931 -3.257) 10.660 8.281 ( 2.689 -1.635 -2.420) 3.970 8.354 ( 0.347 1.454 -2.066) 2.550 8.488 ( -1.129 -1.882 6.423) 6.787 8.668 ( 3.393 6.286 3.042) 7.764 8.732 ( -4.622 2.886 9.073) 10.584 8.858 ( -2.131 -0.708 -5.976) 6.384 9.166 ( -1.275 -1.628 0.858) 2.239 9.258 ( -0.670 -3.505 2.220) 4.203 9.302 ( -1.842 1.845 2.637) 3.709 9.393 ( 1.373 1.464 -3.406) 3.953 9.444 ( -0.375 0.602 3.849) 3.913 9.532 ( -4.622 1.214 0.667) 4.825 9.606 ( 3.194 5.286 -2.923) 6.833 10.070 ( 2.498 -1.602 0.797) 3.073 10.229 ( -1.072 0.398 0.049) 1.144 10.432 ( 0.269 -2.264 -1.304) 2.627 10.597 ( -2.083 0.921 -12.142) 12.353 10.669 ( -6.957 -3.435 0.037) 7.759 10.819 ( 4.550 -5.006 3.143) 7.460 11.031 ( -0.090 -8.204 -0.353) 8.212 11.220 ( 2.567 -0.017 4.282) 4.992 11.474 ( -1.428 -2.476 -0.810) 2.971 11.532 ( 6.416 -7.537 7.736) 12.562 11.601 ( 16.188 -5.448 6.734) 18.360 11.780 ( 1.951 0.027 -4.542) 4.943 11.813 ( -5.318 6.275 1.915) 8.446 11.955 ( 9.077 -1.035 9.430) 13.130 11.965 ( -1.064 0.935 7.713) 7.842 12.253 ( 2.767 -1.329 1.386) 3.368 12.506 ( -3.564 -6.179 -6.446) 9.614 12.626 ( 0.256 2.601 5.733) 6.300 12.848 ( 4.419 3.737 2.363) 6.251 13.143 ( 2.367 -9.509 0.365) 9.806 13.253 ( -6.201 -4.898 3.243) 8.542 13.441 ( -5.663 -6.173 1.891) 8.588 13.598 ( -4.901 -1.894 6.205) 8.131 13.814 ( -6.030 -2.956 4.716) 8.206 13.824 ( 5.979 -0.411 6.527) 8.861 13.918 ( -3.073 -1.933 2.807) 4.589 14.190 ( 1.432 -0.154 -5.023) 5.226 14.451 ( 1.763 -8.567 -6.354) 10.811 15.038 ( -2.322 13.230 -18.792) 23.099 15.312 ( 11.527 -10.033 -0.130) 15.282 15.448 ( 1.028 -8.357 -9.853) 12.961 15.884 ( 5.313 1.040 -1.771) 5.697 16.095 ( -6.012 5.038 -3.992) 8.801 16.367 ( 3.254 -1.548 0.146) 3.606 16.400 ( -2.260 -0.817 -0.968) 2.590 17.333 ( 24.827 1.036 0.965) 24.868 17.685 ( -15.902 -4.268 -1.710) 16.553 18.029 ( 2.784 -1.923 9.450) 10.037 18.233 ( -0.842 0.130 0.316) 0.909 19.549 ( 1.105 7.264 1.847) 7.577 20.000 ( -3.893 25.744 -24.509) 35.758 21.804 ( -18.934 -34.473 20.487) 44.346 22.076 ( 3.195 -8.657 0.495) 9.240 22.964 ( -10.682 3.222 19.984) 22.887 24.274 ( -5.996 24.234 -32.848) 41.258 ======================= Grid point 110 (42/130) ======================= q-point: ( 0.10 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 15.481 18.622 17.542) 29.903 1.432 ( 6.066 18.479 35.773) 40.718 2.084 ( 24.851 36.731 16.857) 47.443 2.581 ( 12.038 2.914 -17.316) 21.289 2.790 ( 4.467 11.176 -10.979) 16.291 3.038 ( -13.030 6.208 7.850) 16.430 3.774 ( 3.520 -3.148 2.551) 5.367 4.321 ( 11.671 -11.562 -12.852) 20.858 4.696 ( 4.654 -3.003 2.451) 6.057 4.752 ( -3.193 -2.757 5.433) 6.879 4.995 ( -5.520 10.127 3.271) 11.989 5.279 ( -2.182 -0.225 -0.425) 2.234 5.335 ( 2.562 8.729 -1.878) 9.289 5.453 ( 0.874 -6.817 5.701) 8.929 5.518 ( 0.619 -1.001 -7.213) 7.309 5.711 ( -4.310 3.279 -0.636) 5.453 5.803 ( 0.510 -1.353 -3.683) 3.957 5.943 ( -4.642 2.996 3.584) 6.585 6.126 ( -0.710 0.381 2.014) 2.170 6.246 ( -5.298 3.259 -1.135) 6.323 6.341 ( -0.437 1.678 1.486) 2.284 6.490 ( 0.090 4.730 6.008) 7.647 6.658 ( 2.218 9.577 1.591) 9.959 6.698 ( -2.841 0.549 -5.727) 6.416 6.868 ( 4.902 8.290 -0.762) 9.661 7.108 ( -0.108 4.412 2.152) 4.910 7.213 ( 3.253 11.166 -6.079) 13.123 7.427 ( 2.016 2.195 -6.543) 7.190 7.580 ( -2.644 7.416 2.119) 8.154 7.954 ( 2.787 9.444 -7.640) 12.463 8.017 ( -4.752 -0.385 -1.753) 5.079 8.046 ( 0.789 5.368 -1.206) 5.558 8.291 ( -1.131 0.483 -1.106) 1.654 8.372 ( 3.392 0.250 -2.760) 4.380 8.449 ( -5.942 -2.584 6.954) 9.505 8.676 ( -2.845 6.021 6.364) 9.211 8.729 ( 0.770 6.735 -2.534) 7.237 8.846 ( 1.135 -2.786 0.900) 3.140 9.039 ( -7.583 4.528 -4.494) 9.910 9.218 ( -4.200 -4.423 5.676) 8.332 9.278 ( -6.475 0.457 -2.514) 6.961 9.353 ( 1.553 -0.409 4.312) 4.601 9.377 ( -6.828 1.426 -0.650) 7.005 9.508 ( -2.159 3.567 5.076) 6.569 9.709 ( 6.454 2.935 -3.137) 7.753 10.096 ( -2.020 -1.608 2.757) 3.777 10.191 ( -1.772 0.769 -2.358) 3.048 10.332 ( -5.229 -1.028 -5.253) 7.483 10.526 ( -0.698 -0.856 3.245) 3.428 10.613 ( -3.042 -1.573 1.109) 3.600 10.874 ( -0.400 -3.583 2.625) 4.460 10.902 ( -6.583 -0.246 -3.906) 7.658 11.186 ( -5.352 -1.447 4.603) 7.206 11.379 ( -9.254 -2.479 -1.123) 9.646 11.477 ( -4.235 -3.230 -5.979) 8.007 11.719 ( -1.506 1.773 -3.967) 4.599 11.783 ( 1.941 0.196 -0.715) 2.077 11.894 ( 5.672 2.104 5.505) 8.180 11.996 ( -0.395 -0.642 6.314) 6.359 12.119 ( -9.360 -4.919 2.008) 10.763 12.432 ( 8.075 -10.273 -3.537) 13.537 12.469 ( 6.733 -6.295 -0.586) 9.236 12.700 ( 6.129 -10.553 3.918) 12.817 12.959 ( 4.175 -0.476 -1.049) 4.331 13.077 ( -9.058 -2.579 1.328) 9.512 13.238 ( -5.689 -2.250 1.652) 6.337 13.411 ( 6.196 -12.343 7.691) 15.808 13.497 ( -3.304 -1.715 2.902) 4.720 13.703 ( -1.887 -0.878 1.953) 2.854 13.886 ( -0.973 -4.549 7.731) 9.023 14.041 ( 9.009 -2.608 -4.001) 10.197 14.200 ( 1.843 1.791 -0.881) 2.717 14.484 ( 3.842 -8.600 -5.500) 10.908 14.930 ( -3.441 12.184 -8.352) 15.167 15.413 ( 2.178 -6.624 -5.125) 8.653 15.576 ( 13.174 -8.073 -7.725) 17.274 15.861 ( -5.150 1.952 -3.041) 6.291 16.036 ( 0.712 7.107 -3.081) 7.779 16.295 ( -7.542 -1.193 -1.004) 7.702 16.470 ( 6.173 -0.832 0.227) 6.233 17.349 ( -19.957 -3.615 18.525) 27.469 17.512 ( -1.756 -4.150 -6.802) 8.159 18.134 ( 2.735 1.635 4.826) 5.783 18.231 ( 0.573 0.172 -0.222) 0.638 19.611 ( 3.109 6.111 2.144) 7.184 20.069 ( 21.706 19.317 -30.938) 42.443 21.517 ( -14.533 -24.765 16.313) 33.024 22.133 ( -0.173 -4.529 5.085) 6.812 22.842 ( -8.153 1.177 14.617) 16.779 24.040 ( -6.434 28.535 -14.775) 32.771 ======================= Grid point 111 (43/130) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 22.020 8.041 11.638) 26.172 1.754 ( 13.925 15.339 28.848) 35.516 2.604 ( 2.967 -1.825 -15.929) 16.306 2.679 ( 17.495 7.748 5.797) 19.993 2.874 ( 10.482 7.970 -7.087) 14.954 3.089 ( 20.714 28.383 5.089) 35.504 3.793 ( -2.275 -0.971 4.345) 5.000 4.467 ( 5.282 -17.630 -8.039) 20.083 4.717 ( -1.895 -6.232 5.299) 8.397 4.802 ( 5.354 -4.706 -1.357) 7.256 4.991 ( 3.618 9.422 -3.571) 10.706 5.173 ( -5.890 6.695 -1.354) 9.019 5.358 ( 0.400 -1.873 -3.205) 3.734 5.521 ( 1.096 2.184 -3.604) 4.354 5.535 ( 4.149 2.290 1.940) 5.120 5.625 ( -4.816 3.009 1.696) 5.926 5.773 ( -3.100 -6.396 1.790) 7.330 5.905 ( 0.502 6.067 1.133) 6.192 6.110 ( -2.555 4.169 5.474) 7.340 6.175 ( -0.467 5.423 -2.925) 6.179 6.311 ( -1.987 3.639 3.399) 5.362 6.561 ( 4.396 1.233 2.448) 5.180 6.650 ( 0.356 -0.637 -3.117) 3.201 6.740 ( 5.200 8.858 2.356) 10.538 6.930 ( 2.378 13.096 -0.834) 13.337 7.095 ( 0.310 5.278 -0.022) 5.288 7.275 ( 0.316 1.082 -2.698) 2.924 7.432 ( 0.221 4.088 -5.956) 7.227 7.549 ( -0.713 5.767 1.960) 6.133 7.895 ( -6.141 -0.541 -3.128) 6.913 7.928 ( -2.842 3.486 -0.110) 4.499 8.072 ( 0.419 8.354 -3.168) 8.944 8.251 ( -2.335 4.336 -0.114) 4.926 8.337 ( -7.373 0.933 4.867) 8.884 8.432 ( 2.495 0.479 -2.206) 3.365 8.673 ( -0.816 5.063 2.472) 5.694 8.716 ( 1.561 3.013 -4.521) 5.653 8.823 ( -2.869 3.637 -1.092) 4.759 8.954 ( -0.987 -0.371 0.503) 1.168 9.104 ( -8.536 -2.810 0.494) 9.001 9.162 ( -4.954 2.896 1.200) 5.862 9.260 ( -5.825 3.959 0.285) 7.049 9.393 ( 0.341 -1.459 3.869) 4.149 9.480 ( -1.673 2.794 6.087) 6.903 9.768 ( 1.028 3.371 -2.755) 4.474 9.949 ( -12.497 -0.255 -4.554) 13.303 10.125 ( -3.149 0.281 1.913) 3.696 10.329 ( -0.788 -3.623 -0.946) 3.827 10.494 ( -0.045 -2.139 3.836) 4.392 10.618 ( -0.469 -2.222 1.385) 2.660 10.781 ( -4.107 2.001 -0.794) 4.636 10.811 ( -5.619 -0.366 -3.150) 6.453 11.102 ( -4.739 -2.547 2.694) 6.017 11.185 ( -7.854 -0.772 1.360) 8.008 11.375 ( -5.587 -1.815 -4.642) 7.487 11.661 ( -2.871 -0.730 -4.563) 5.440 11.770 ( -13.227 -4.886 3.503) 14.529 11.857 ( -2.204 -1.675 -1.781) 3.292 12.022 ( 3.531 0.666 3.422) 4.962 12.068 ( 3.369 0.666 4.253) 5.467 12.470 ( 0.484 -2.530 -4.266) 4.983 12.527 ( -5.720 -4.621 0.824) 7.400 12.738 ( -0.711 -6.858 1.481) 7.052 12.936 ( -7.149 -3.879 4.463) 9.277 12.963 ( 0.270 -1.767 -6.126) 6.381 13.175 ( 2.069 0.893 2.811) 3.603 13.382 ( -2.665 -3.568 0.566) 4.489 13.638 ( -0.222 -0.103 1.206) 1.230 13.772 ( 10.571 -13.505 2.580) 17.343 13.878 ( -0.942 -9.532 1.253) 9.660 14.164 ( 6.932 -3.828 -2.201) 8.219 14.273 ( 4.520 0.426 1.683) 4.842 14.540 ( 3.620 -6.619 -3.317) 8.242 14.847 ( -3.167 8.017 -3.638) 9.356 15.424 ( 0.800 -9.140 -3.963) 9.994 15.701 ( -0.801 3.296 -5.988) 6.882 15.821 ( 4.747 -1.844 -5.177) 7.262 16.034 ( -0.017 8.172 -2.297) 8.489 16.167 ( -3.932 -0.974 3.994) 5.689 16.562 ( 2.994 -2.095 0.215) 3.660 17.138 ( -11.742 -0.281 25.779) 28.328 17.403 ( -3.939 -2.704 -10.815) 11.823 18.155 ( -1.454 3.501 4.072) 5.564 18.238 ( 0.280 1.245 -0.403) 1.339 19.654 ( 0.484 4.386 1.302) 4.601 20.407 ( 24.284 5.195 -32.091) 40.577 21.397 ( -4.489 -20.749 8.077) 22.714 22.110 ( -4.549 -2.505 8.088) 9.611 22.772 ( -5.075 -0.750 11.586) 12.671 23.895 ( -6.139 21.502 -4.450) 22.800 ======================= Grid point 112 (44/130) ======================= q-point: ( 0.30 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 18.393 9.300 13.437) 24.604 2.130 ( 18.987 2.683 14.427) 23.996 2.455 ( -3.574 2.855 -9.152) 10.232 3.023 ( 13.820 0.234 -5.955) 15.050 3.097 ( 15.062 7.580 -3.592) 17.240 3.596 ( 19.917 18.052 -2.398) 26.987 3.777 ( 3.829 3.677 7.808) 9.442 4.413 ( -6.390 -17.348 -3.498) 18.816 4.715 ( -3.030 -7.891 3.693) 9.224 4.863 ( 3.930 -3.060 -7.601) 9.087 4.981 ( -3.871 4.098 -2.975) 6.374 5.121 ( 0.533 10.808 -3.365) 11.332 5.364 ( 1.389 2.434 -3.831) 4.747 5.441 ( -9.593 1.530 1.257) 9.796 5.536 ( -1.954 3.039 2.004) 4.131 5.606 ( 1.681 0.224 6.371) 6.593 5.831 ( 7.654 -0.416 2.925) 8.205 5.953 ( 3.981 4.077 0.714) 5.743 6.087 ( -1.769 5.468 3.027) 6.495 6.190 ( 3.340 10.367 -6.190) 12.528 6.338 ( 3.115 -6.325 5.200) 8.761 6.657 ( 2.858 -2.521 0.551) 3.850 6.664 ( 3.541 -1.300 0.120) 3.774 6.846 ( 3.982 7.152 1.144) 8.266 6.980 ( 3.458 17.189 1.832) 17.629 7.113 ( 1.682 7.478 -1.662) 7.843 7.207 ( -5.587 -2.467 0.951) 6.181 7.384 ( -2.684 6.613 -2.923) 7.712 7.549 ( -0.569 6.476 -1.927) 6.781 7.766 ( -5.685 -2.738 -2.805) 6.906 7.865 ( -4.633 0.854 0.537) 4.741 8.014 ( -4.464 5.484 -1.568) 7.243 8.192 ( -5.630 3.007 5.354) 8.331 8.282 ( 1.949 9.989 -3.035) 10.620 8.425 ( -0.955 1.361 -3.911) 4.250 8.630 ( -2.288 4.982 -0.788) 5.539 8.772 ( 1.375 1.617 0.637) 2.216 8.828 ( 3.986 3.068 -1.174) 5.165 8.939 ( -5.054 -0.159 3.979) 6.435 8.956 ( -1.311 -1.079 -5.790) 6.034 9.096 ( -4.627 6.382 3.195) 8.506 9.133 ( -5.874 4.480 -2.143) 7.692 9.396 ( -1.567 -2.020 4.905) 5.531 9.512 ( 2.003 0.411 6.789) 7.091 9.669 ( -13.099 1.582 -0.520) 13.204 9.766 ( -0.675 1.436 -4.187) 4.478 10.071 ( -3.341 -0.057 0.480) 3.376 10.206 ( -9.671 -0.572 3.342) 10.248 10.492 ( -7.048 -3.114 -4.553) 8.950 10.594 ( -0.299 0.725 -3.531) 3.617 10.668 ( -0.777 -2.821 0.037) 2.927 10.784 ( -1.436 0.185 5.112) 5.313 11.037 ( -3.537 -3.482 0.499) 4.988 11.145 ( 1.494 -1.303 3.820) 4.304 11.206 ( -10.644 1.253 -1.978) 10.899 11.511 ( -9.655 -3.711 0.362) 10.350 11.595 ( -3.372 -3.725 -5.264) 7.277 11.808 ( -3.822 -2.934 -2.093) 5.253 12.073 ( 1.761 0.456 2.083) 2.765 12.174 ( 3.342 0.345 4.027) 5.244 12.280 ( -14.804 -3.558 1.379) 15.287 12.438 ( -2.285 3.139 -0.354) 3.899 12.817 ( 1.918 -3.240 3.094) 4.873 12.835 ( -3.034 -2.449 6.969) 7.985 13.002 ( 6.106 -1.864 -4.219) 7.652 13.227 ( 1.922 -0.566 -2.850) 3.484 13.381 ( 2.916 -0.525 -6.307) 6.968 13.565 ( -3.797 -0.143 3.858) 5.415 13.865 ( -0.098 -10.857 -5.849) 12.333 13.972 ( 8.283 -13.108 1.794) 15.609 14.258 ( 1.684 -3.855 2.322) 4.805 14.381 ( 7.060 -3.689 -0.700) 7.996 14.589 ( 2.509 -3.572 -0.350) 4.379 14.769 ( -4.272 1.817 -1.629) 4.920 15.427 ( 1.197 -9.596 -0.902) 9.713 15.601 ( -7.152 3.780 -2.394) 8.436 15.821 ( -0.969 -1.653 -10.919) 11.086 16.024 ( -0.197 12.906 -1.216) 12.965 16.256 ( 8.968 -0.655 7.740) 11.864 16.588 ( -0.877 -5.060 4.982) 7.155 17.066 ( -6.611 3.240 19.980) 21.293 17.315 ( 0.258 -3.463 -15.621) 16.002 18.119 ( -4.580 4.672 6.886) 9.498 18.251 ( 1.580 0.428 -1.400) 2.154 19.640 ( -2.291 3.187 1.918) 4.369 20.687 ( 17.973 -0.800 -31.322) 36.121 21.382 ( 0.072 -15.928 5.951) 17.004 22.038 ( -6.158 -1.527 7.618) 9.914 22.733 ( -3.971 -0.886 12.004) 12.675 23.760 ( -6.732 13.952 -2.280) 15.658 ======================= Grid point 113 (45/130) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -1.931 0.713 5.827) 6.180 2.510 ( 9.055 12.271 5.248) 16.128 2.612 ( 22.746 2.444 0.805) 22.891 3.147 ( 3.283 0.690 -10.923) 11.426 3.343 ( 9.531 3.620 -2.730) 10.555 3.668 ( 0.483 4.689 -4.668) 6.634 3.954 ( 1.498 -5.676 -0.680) 5.909 4.369 ( 3.039 -3.799 3.294) 5.875 4.588 ( -9.242 -5.254 6.691) 12.561 4.852 ( -8.080 0.161 -0.466) 8.095 4.939 ( 6.277 4.205 -9.116) 11.840 5.108 ( -2.545 14.705 -1.238) 14.975 5.257 ( -5.407 3.877 -0.557) 6.676 5.388 ( 2.241 6.921 -2.504) 7.694 5.569 ( 5.588 0.765 -2.634) 6.225 5.721 ( 6.185 -2.959 8.177) 10.671 5.923 ( -1.294 2.215 2.860) 3.841 6.033 ( -0.110 0.864 7.963) 8.010 6.097 ( 5.760 3.643 -4.177) 7.994 6.230 ( 2.519 8.565 -5.392) 10.430 6.442 ( 5.305 -10.781 3.339) 12.471 6.647 ( -2.505 -7.920 3.563) 9.039 6.791 ( 7.327 0.919 -0.866) 7.435 6.882 ( 0.480 3.827 -1.013) 3.987 7.050 ( 1.979 18.836 4.091) 19.376 7.072 ( -6.258 1.551 1.648) 6.655 7.187 ( 1.659 10.576 3.821) 11.367 7.331 ( -0.873 7.775 -1.775) 8.022 7.509 ( -1.840 3.881 -2.954) 5.213 7.678 ( -2.865 -0.734 -1.124) 3.164 7.769 ( -4.059 -3.129 -1.888) 5.461 7.947 ( -1.204 4.904 -3.323) 6.045 8.103 ( -5.445 2.146 4.412) 7.329 8.332 ( 2.957 10.497 -1.379) 10.992 8.421 ( 3.305 4.885 -4.816) 7.614 8.593 ( -1.344 5.946 -0.901) 6.163 8.714 ( -7.216 4.550 -6.316) 10.614 8.840 ( 0.722 -1.221 4.228) 4.459 8.883 ( -5.175 4.585 1.438) 7.062 8.956 ( -2.037 3.527 -1.104) 4.220 9.008 ( 0.945 0.302 -0.119) 1.000 9.126 ( 4.192 2.987 -2.273) 5.627 9.370 ( -4.128 -3.168 7.294) 8.960 9.460 ( -6.422 0.332 3.438) 7.292 9.618 ( 4.995 -0.559 5.957) 7.794 9.763 ( 2.381 1.908 -3.027) 4.298 9.995 ( -5.298 -0.428 -0.569) 5.346 10.066 ( -5.203 3.656 2.899) 6.989 10.320 ( -8.469 -1.130 -3.229) 9.134 10.504 ( -3.578 0.041 -4.430) 5.694 10.734 ( 2.067 -4.580 -0.691) 5.072 10.768 ( -1.664 -0.112 6.350) 6.565 10.910 ( -9.349 -2.340 -1.408) 9.739 11.068 ( -2.901 0.011 5.634) 6.337 11.175 ( -0.747 -4.301 -0.642) 4.413 11.428 ( 0.269 -2.127 -2.603) 3.373 11.511 ( -2.247 -3.126 -7.559) 8.483 11.734 ( -2.371 -2.466 -3.342) 4.783 12.038 ( -8.792 0.364 4.185) 9.744 12.109 ( 0.565 0.776 4.690) 4.787 12.240 ( 0.057 -1.920 4.849) 5.215 12.402 ( -1.526 4.515 1.178) 4.909 12.750 ( -3.878 -2.327 -1.061) 4.645 12.860 ( -3.522 0.536 6.557) 7.462 13.146 ( 8.554 1.703 -0.372) 8.730 13.224 ( 0.747 -1.836 -3.564) 4.078 13.433 ( 6.482 -2.656 -9.419) 11.738 13.599 ( 3.760 -0.422 3.072) 4.874 13.820 ( -1.289 -10.196 -5.928) 11.864 14.091 ( 4.300 -13.885 -1.218) 14.587 14.253 ( -2.476 -2.072 1.510) 3.564 14.492 ( 4.178 -6.039 -0.864) 7.394 14.637 ( 2.162 -1.259 1.919) 3.153 14.683 ( -4.100 -4.513 1.322) 6.239 15.432 ( -7.118 -3.263 -6.116) 9.936 15.475 ( 2.040 -5.160 3.155) 6.383 15.754 ( -1.385 0.531 -10.236) 10.343 16.021 ( 0.085 16.440 -0.447) 16.446 16.458 ( 7.453 -1.327 6.884) 10.232 16.574 ( -3.800 -6.619 11.018) 13.403 17.017 ( -4.485 3.670 8.192) 10.034 17.299 ( 4.885 -0.883 -16.258) 16.999 18.047 ( -6.184 4.031 10.033) 12.456 18.282 ( 2.046 0.299 -1.159) 2.370 19.605 ( -1.975 2.456 3.756) 4.903 20.814 ( 8.336 -4.896 -31.862) 33.297 21.466 ( 6.343 -10.444 7.988) 14.599 21.940 ( -6.664 -1.634 4.080) 7.983 22.718 ( -2.988 0.447 14.271) 14.588 23.636 ( -4.938 8.265 -3.539) 10.257 ======================= Grid point 114 (46/130) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -2.810 0.182 4.853) 5.611 2.584 ( -4.076 15.133 1.682) 15.762 2.901 ( 2.193 4.189 0.301) 4.738 3.175 ( 7.113 2.544 -8.566) 11.421 3.374 ( -2.703 -9.337 -3.038) 10.184 3.569 ( -5.578 5.509 -12.193) 14.495 4.030 ( 5.358 -2.874 0.292) 6.087 4.300 ( -8.818 -7.032 0.861) 11.312 4.566 ( 0.386 0.632 10.782) 10.808 4.751 ( -0.438 4.793 0.997) 4.915 4.994 ( -4.495 12.966 -1.952) 13.861 5.050 ( 8.561 7.153 -4.826) 12.155 5.269 ( 2.809 0.104 -0.322) 2.830 5.409 ( 0.062 4.430 -1.092) 4.563 5.707 ( 7.640 4.736 -7.717) 11.847 5.813 ( -4.111 0.177 0.787) 4.190 5.867 ( 2.550 -1.938 5.300) 6.193 6.043 ( -2.273 0.120 6.730) 7.104 6.154 ( -2.330 4.102 3.420) 5.827 6.244 ( 0.856 3.545 -2.213) 4.266 6.518 ( 1.578 -10.248 -1.361) 10.458 6.627 ( -0.148 -9.079 5.272) 10.500 6.871 ( 2.046 0.274 -1.818) 2.751 6.909 ( 1.881 5.635 0.141) 5.942 6.968 ( -4.304 4.316 2.566) 6.613 7.069 ( -5.377 16.671 7.729) 19.146 7.137 ( -3.663 10.857 -0.031) 11.458 7.399 ( 5.550 11.898 -0.323) 13.133 7.497 ( 2.731 -2.773 -2.325) 4.534 7.608 ( -4.439 2.626 0.790) 5.218 7.758 ( 3.786 -4.106 -3.930) 6.830 7.929 ( 0.166 5.296 -3.196) 6.188 8.042 ( -1.991 2.776 2.637) 4.316 8.369 ( 1.276 6.301 0.643) 6.461 8.470 ( -0.219 8.294 -5.962) 10.217 8.560 ( 1.513 10.959 -3.939) 11.743 8.597 ( -0.789 1.470 -3.767) 4.120 8.781 ( -3.219 1.997 -0.471) 3.818 8.879 ( 1.497 0.174 1.054) 1.839 8.946 ( -0.201 3.324 2.891) 4.410 9.022 ( 0.528 2.010 -0.113) 2.081 9.206 ( 3.654 1.304 -1.662) 4.221 9.336 ( -0.621 -3.774 9.270) 10.028 9.447 ( 1.526 0.482 6.530) 6.724 9.726 ( 3.085 -2.848 6.749) 7.948 9.848 ( 5.548 2.334 -2.800) 6.639 9.896 ( -3.559 0.401 -2.362) 4.290 10.028 ( 0.436 5.102 1.343) 5.294 10.175 ( -4.792 0.328 -0.772) 4.865 10.434 ( -2.391 0.167 -5.094) 5.629 10.717 ( -3.024 -5.451 -0.991) 6.311 10.767 ( -0.060 -2.638 1.174) 2.888 10.813 ( 0.339 1.037 5.443) 5.551 11.076 ( 0.376 -1.845 5.466) 5.781 11.135 ( -1.679 -5.053 -4.054) 6.692 11.419 ( 1.506 -4.336 -7.983) 9.208 11.492 ( 0.673 0.025 -2.195) 2.296 11.689 ( -0.856 -0.242 -5.631) 5.701 11.981 ( 0.327 -0.446 7.464) 7.485 12.151 ( 1.670 0.636 7.167) 7.386 12.237 ( -1.943 -0.990 4.188) 4.722 12.395 ( 0.613 4.259 1.169) 4.459 12.670 ( -3.429 -0.379 -4.725) 5.851 12.779 ( -5.100 1.761 0.976) 5.483 13.244 ( 2.124 -1.183 2.407) 3.421 13.300 ( 6.626 1.257 1.246) 6.858 13.523 ( 2.725 -3.653 -6.171) 7.672 13.593 ( -1.670 -2.651 -5.405) 6.247 13.852 ( 4.146 -8.446 0.223) 9.412 14.129 ( 1.192 -14.977 -4.011) 15.550 14.198 ( -2.932 -0.425 1.186) 3.191 14.537 ( 1.940 -6.910 -0.861) 7.229 14.627 ( -2.127 -5.748 2.159) 6.498 14.682 ( 0.318 -1.455 3.540) 3.841 15.282 ( -5.796 -6.366 -3.322) 9.228 15.539 ( 4.638 -5.657 -9.848) 12.267 15.707 ( -0.235 4.063 -1.873) 4.480 16.019 ( -0.243 16.567 -0.269) 16.571 16.512 ( -4.618 -7.646 10.078) 13.467 16.547 ( -4.278 -0.770 9.148) 10.128 16.959 ( -3.497 3.404 -0.360) 4.894 17.394 ( 11.610 2.344 -13.486) 17.949 17.976 ( -5.739 2.161 11.993) 13.470 18.311 ( 1.229 0.510 -0.287) 1.361 19.609 ( 0.600 1.518 5.630) 5.862 20.778 ( 1.632 -5.200 -29.840) 30.334 21.658 ( 9.034 -10.103 9.186) 16.373 21.830 ( -4.801 -2.058 -0.855) 5.293 22.732 ( -1.882 2.458 16.928) 17.209 23.561 ( -0.971 6.073 -5.572) 8.299 ======================= Grid point 115 (47/130) ======================= q-point: (-0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -11.495 4.660 6.139) 13.839 2.412 ( -12.718 13.427 -1.219) 18.534 2.751 ( -13.249 -2.194 4.462) 14.152 3.167 ( -4.258 -4.753 -14.059) 15.439 3.332 ( -1.005 10.964 -3.312) 11.497 3.509 ( -0.713 -2.170 2.304) 3.244 3.982 ( -10.079 6.182 -2.786) 12.147 4.159 ( -4.519 1.152 -4.100) 6.209 4.689 ( 5.183 -0.634 6.154) 8.070 4.802 ( 8.527 0.572 -1.442) 8.667 5.022 ( 7.968 5.167 -2.308) 9.773 5.197 ( 5.867 2.827 -0.387) 6.524 5.315 ( 2.072 3.052 1.160) 3.867 5.375 ( -2.325 -1.328 -0.861) 2.812 5.576 ( -11.179 -0.446 -1.732) 11.321 5.860 ( -6.784 1.825 5.078) 8.668 5.904 ( 4.601 0.815 -7.938) 9.212 5.997 ( -3.037 1.069 7.362) 8.036 6.081 ( -4.394 3.324 7.826) 9.571 6.233 ( -1.199 3.176 1.189) 3.597 6.529 ( 0.337 -6.919 -3.340) 7.690 6.639 ( -1.799 -6.754 1.091) 7.074 6.853 ( -4.440 11.792 1.288) 12.666 6.882 ( -7.793 7.692 6.025) 12.497 6.934 ( 2.511 2.672 -2.048) 4.199 7.026 ( 3.048 7.459 2.769) 8.520 7.103 ( -1.696 12.245 -1.431) 12.445 7.467 ( 2.380 5.226 -2.456) 6.245 7.522 ( -0.678 0.545 1.935) 2.122 7.615 ( 5.483 -0.131 -3.360) 6.432 7.833 ( 4.692 0.418 0.215) 4.715 7.944 ( 2.899 5.273 -2.274) 6.433 8.043 ( 0.929 3.422 0.798) 3.634 8.345 ( -2.563 6.543 -0.655) 7.057 8.472 ( 4.477 3.837 -3.424) 6.818 8.587 ( 0.821 3.533 -1.983) 4.134 8.634 ( 4.813 8.288 -2.350) 9.868 8.790 ( 4.355 2.516 -0.753) 5.085 8.896 ( 0.543 0.689 -0.666) 1.102 8.958 ( -0.104 1.918 2.911) 3.488 9.037 ( 1.244 1.639 -1.548) 2.574 9.241 ( 0.705 2.804 -0.651) 2.964 9.421 ( 4.342 -4.507 9.037) 10.992 9.557 ( 7.679 1.848 6.827) 10.440 9.723 ( -8.290 0.303 7.773) 11.369 9.842 ( -0.001 -1.730 0.902) 1.951 9.915 ( 4.509 2.580 -2.435) 5.737 10.052 ( 1.490 5.491 3.626) 6.747 10.250 ( 11.652 -1.427 -6.141) 13.248 10.353 ( -3.859 -0.124 -9.660) 10.403 10.655 ( -1.812 -5.307 0.676) 5.648 10.815 ( 3.409 -1.746 2.733) 4.705 10.923 ( 7.698 -0.678 2.739) 8.199 11.102 ( 1.962 -3.902 -1.718) 4.693 11.122 ( 1.759 -3.194 4.706) 5.954 11.434 ( 2.545 -1.715 -9.090) 9.594 11.481 ( -1.025 0.611 1.144) 1.653 11.655 ( 0.035 0.913 -7.489) 7.545 12.077 ( 5.415 -5.036 6.499) 9.845 12.189 ( -3.225 -2.194 4.558) 5.999 12.255 ( 4.820 3.352 6.881) 9.045 12.445 ( 4.507 4.122 1.275) 6.240 12.592 ( -2.543 0.522 -4.778) 5.438 12.712 ( -1.427 1.532 -2.654) 3.380 13.297 ( 2.940 -5.587 1.318) 6.449 13.379 ( -9.844 -0.135 -1.902) 10.027 13.429 ( 5.478 3.331 5.453) 8.417 13.654 ( 4.454 -5.680 -2.870) 7.768 13.831 ( -6.269 -10.893 -2.935) 12.907 14.099 ( -1.957 -8.603 -6.704) 11.081 14.189 ( -1.080 -6.169 4.973) 7.997 14.572 ( 0.414 -5.520 0.891) 5.607 14.614 ( 0.636 -7.073 0.676) 7.134 14.685 ( 0.737 0.550 0.374) 0.993 15.205 ( -0.897 -9.728 -3.956) 10.540 15.538 ( 1.942 -3.243 -20.768) 21.109 15.767 ( 5.030 6.626 8.093) 11.606 16.006 ( -1.011 12.830 -1.333) 12.939 16.428 ( -9.404 2.170 5.342) 11.031 16.453 ( -6.744 -7.296 13.141) 16.475 16.877 ( -4.472 3.740 -3.659) 6.883 17.603 ( 14.220 3.250 -9.881) 17.619 17.927 ( -4.379 -0.288 12.192) 12.958 18.322 ( -0.163 0.721 0.568) 0.932 19.661 ( 1.912 -0.156 5.970) 6.270 20.676 ( -0.405 -2.674 -27.094) 27.228 21.694 ( -3.923 -6.589 -1.936) 7.909 21.916 ( 9.435 -11.127 8.012) 16.644 22.778 ( -0.584 4.115 18.724) 19.179 23.568 ( 4.533 8.893 -6.640) 11.989 ======================= Grid point 116 (48/130) ======================= q-point: (-0.30 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -20.112 13.729 7.264) 25.411 2.070 ( -23.812 9.830 5.341) 26.309 2.611 ( -4.119 -2.456 2.844) 5.576 3.012 ( -4.374 0.436 -10.409) 11.299 3.279 ( -8.096 3.443 -1.142) 8.871 3.463 ( -1.709 2.890 6.399) 7.226 3.637 ( -26.967 14.010 5.461) 30.876 4.118 ( 3.012 11.094 -15.135) 19.005 4.778 ( 6.203 -5.474 -6.815) 10.719 4.973 ( 4.033 -7.450 4.120) 9.420 5.186 ( -3.647 -6.650 0.058) 7.584 5.215 ( -5.881 -4.882 -0.668) 7.672 5.253 ( 9.534 5.394 0.909) 10.992 5.377 ( -2.594 2.939 1.843) 4.331 5.514 ( 7.236 4.628 -1.470) 8.714 5.694 ( -5.879 7.263 1.754) 9.507 5.916 ( -1.948 -4.872 -2.114) 5.657 5.955 ( -4.908 -1.582 9.034) 10.402 6.102 ( 2.983 6.648 2.567) 7.726 6.215 ( -2.071 1.192 3.669) 4.378 6.476 ( -4.417 -1.141 1.423) 4.779 6.561 ( -5.083 -2.142 -3.416) 6.488 6.767 ( -4.542 13.062 -2.108) 13.989 6.810 ( -3.619 5.013 7.008) 9.345 6.949 ( -0.510 12.754 -1.337) 12.834 7.034 ( -0.671 -2.547 0.304) 2.651 7.160 ( 6.481 10.788 -3.668) 13.109 7.463 ( -0.310 8.146 -3.215) 8.762 7.567 ( 2.655 2.453 3.230) 4.847 7.682 ( 3.711 -3.570 -6.597) 8.369 7.948 ( 6.793 3.442 3.235) 8.274 8.007 ( 4.368 4.376 -2.197) 6.561 8.078 ( 2.730 1.996 -0.420) 3.408 8.329 ( 1.039 5.422 -0.243) 5.526 8.531 ( 1.241 1.533 0.413) 2.015 8.652 ( 6.350 4.935 -1.980) 8.282 8.722 ( 6.296 5.054 0.138) 8.075 8.898 ( 0.800 2.413 -0.008) 2.543 8.911 ( 5.999 0.818 2.310) 6.481 8.965 ( 0.875 -0.769 -0.623) 1.321 9.045 ( 0.493 0.089 -2.366) 2.419 9.241 ( 0.237 5.206 -0.814) 5.274 9.514 ( -1.256 -0.472 3.156) 3.429 9.565 ( -4.750 0.403 11.772) 12.700 9.763 ( 7.401 -0.027 4.871) 8.860 9.883 ( 3.869 0.051 0.319) 3.882 9.992 ( 4.977 5.465 0.253) 7.396 10.160 ( 3.437 2.035 0.039) 3.994 10.232 ( -0.084 -1.654 -7.289) 7.475 10.414 ( 6.954 -2.338 -6.091) 9.536 10.696 ( 5.801 -3.629 1.725) 7.057 10.837 ( -2.106 -3.407 -2.687) 4.823 11.052 ( 7.002 -0.165 3.845) 7.990 11.178 ( 2.156 -3.499 4.798) 6.318 11.246 ( 8.686 -4.965 -4.669) 11.041 11.473 ( 0.825 1.885 -2.368) 3.137 11.489 ( 9.122 3.684 1.182) 9.909 11.647 ( 2.656 -1.255 -8.840) 9.315 12.107 ( -6.031 -1.488 2.862) 6.840 12.165 ( -0.053 -3.575 5.296) 6.390 12.392 ( 6.181 -1.501 3.640) 7.329 12.497 ( -1.179 -1.001 -7.458) 7.617 12.620 ( 4.603 5.128 4.218) 8.080 12.729 ( 6.948 -1.090 2.782) 7.563 13.170 ( -9.289 2.446 -3.388) 10.186 13.416 ( 7.595 -6.252 2.477) 10.144 13.520 ( 1.118 -1.981 1.858) 2.937 13.648 ( -8.319 -9.439 -8.499) 15.184 13.709 ( -0.241 -4.902 11.115) 12.150 14.017 ( -5.021 -13.896 -3.656) 15.221 14.123 ( -6.795 -2.913 1.897) 7.633 14.550 ( -3.120 -5.996 1.594) 6.945 14.584 ( -3.661 -3.999 0.183) 5.425 14.781 ( 8.663 0.152 -4.739) 9.876 15.216 ( 4.297 -8.462 -8.374) 12.656 15.480 ( -0.076 -2.209 -15.821) 15.975 15.934 ( 8.956 6.609 5.519) 12.424 15.950 ( -4.095 7.344 -2.925) 8.903 16.292 ( -5.780 8.860 8.838) 13.784 16.385 ( -5.432 -7.545 9.943) 13.612 16.768 ( -5.555 3.876 -3.041) 7.425 17.812 ( 10.853 3.563 -7.447) 13.636 17.906 ( -2.626 -2.347 11.235) 11.774 18.310 ( -1.379 0.787 1.076) 1.918 19.699 ( -0.462 -2.051 3.858) 4.393 20.561 ( -1.359 1.025 -24.212) 24.271 21.639 ( 0.087 -8.906 -4.312) 9.895 22.101 ( 5.728 -18.815 10.680) 22.380 22.854 ( 0.846 4.961 19.305) 19.950 23.689 ( 11.235 16.276 -5.752) 20.596 ======================= Grid point 117 (49/130) ======================= q-point: (-0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -21.170 18.457 12.743) 30.842 1.646 ( -23.458 16.026 12.896) 31.199 2.521 ( -6.834 2.783 -2.572) 7.814 2.901 ( -32.890 18.100 8.502) 38.492 2.946 ( -5.548 4.809 -5.096) 8.937 3.236 ( -7.213 2.184 9.098) 11.814 3.521 ( 3.461 2.866 0.001) 4.494 4.125 ( 4.900 11.563 -19.278) 23.007 4.792 ( -5.739 -8.621 -0.684) 10.379 4.957 ( -4.245 -12.094 0.881) 12.848 5.092 ( -2.360 -1.509 -2.617) 3.833 5.152 ( 2.576 1.851 -2.144) 3.829 5.321 ( -0.863 -0.596 8.387) 8.452 5.481 ( -4.064 6.810 -2.040) 8.188 5.572 ( 11.948 4.508 -4.082) 13.407 5.774 ( 7.015 -0.967 1.701) 7.283 5.860 ( -0.978 -3.162 -1.777) 3.757 5.918 ( -2.922 -3.481 13.477) 14.223 6.140 ( -1.517 5.357 2.074) 5.942 6.218 ( 3.150 -1.929 2.829) 4.653 6.425 ( -5.576 -0.103 -2.704) 6.198 6.439 ( -2.537 4.066 1.844) 5.135 6.651 ( -5.825 9.803 -0.758) 11.428 6.776 ( -2.295 3.842 1.187) 4.630 6.961 ( 3.378 16.888 -2.124) 17.353 7.040 ( 0.036 -3.463 1.622) 3.824 7.194 ( -1.962 6.762 -6.922) 9.874 7.478 ( 3.976 15.111 -0.909) 15.652 7.612 ( 0.478 5.497 3.244) 6.400 7.721 ( 3.880 -4.690 -8.482) 10.440 8.073 ( 3.470 4.313 -2.514) 6.079 8.093 ( 5.914 1.572 1.991) 6.435 8.152 ( 5.987 -0.727 0.909) 6.099 8.366 ( 2.486 4.519 -0.109) 5.159 8.533 ( -1.261 -0.065 1.570) 2.015 8.707 ( -0.174 7.806 -2.151) 8.098 8.850 ( -3.080 -0.464 5.518) 6.336 8.928 ( 10.767 -0.307 -1.643) 10.896 8.989 ( 1.951 -1.510 -0.017) 2.467 9.029 ( 4.848 0.663 -2.303) 5.408 9.088 ( 5.431 -0.495 0.979) 5.541 9.265 ( 2.850 7.040 1.334) 7.711 9.411 ( -4.772 5.631 2.807) 7.897 9.626 ( 0.141 -1.183 11.258) 11.321 9.863 ( 1.279 -3.353 -4.292) 5.595 9.908 ( -0.733 -0.405 2.463) 2.602 10.079 ( 2.822 0.499 -7.733) 8.247 10.174 ( 9.420 7.033 5.082) 12.808 10.374 ( 7.695 0.249 -0.054) 7.699 10.465 ( 1.679 -1.108 -2.494) 3.204 10.774 ( -1.619 -3.327 -3.386) 5.015 10.856 ( 8.143 -2.195 1.353) 8.541 11.187 ( 1.979 -2.475 -5.453) 6.307 11.216 ( 4.833 -3.422 5.442) 8.042 11.356 ( 6.629 1.132 -0.491) 6.743 11.503 ( 4.453 -0.181 -2.699) 5.210 11.674 ( 3.978 -3.345 -9.192) 10.560 11.797 ( 17.222 2.604 4.871) 18.086 11.996 ( -6.459 -1.322 2.785) 7.157 12.122 ( -5.828 -0.186 3.648) 6.878 12.384 ( -6.898 -4.931 -8.799) 12.220 12.514 ( 3.321 -1.105 4.613) 5.791 12.627 ( -1.777 0.373 0.698) 1.946 12.939 ( 1.269 0.948 -0.632) 1.705 13.057 ( 4.829 -0.644 5.180) 7.111 13.388 ( -8.406 -9.636 -10.315) 16.429 13.561 ( 0.419 -2.317 6.446) 6.863 13.599 ( 6.385 -3.601 -2.111) 7.629 13.743 ( -2.314 -7.758 16.572) 18.444 13.856 ( -10.871 -17.368 1.379) 20.536 14.031 ( -1.186 1.511 -4.254) 4.667 14.434 ( -9.775 -4.984 3.172) 11.422 14.524 ( -2.011 -3.623 -4.534) 6.142 14.930 ( 9.056 -3.080 -4.361) 10.513 15.249 ( 3.580 0.873 -24.795) 25.067 15.455 ( 2.196 -4.898 0.058) 5.368 15.814 ( -6.554 -2.093 -3.520) 7.728 16.150 ( 9.814 13.654 2.720) 17.034 16.300 ( 2.562 6.779 6.034) 9.430 16.333 ( -3.056 -5.468 7.541) 9.804 16.672 ( -3.103 5.944 3.487) 7.558 17.908 ( 0.536 -2.295 3.780) 4.454 17.940 ( 3.112 2.171 -0.209) 3.800 18.283 ( -1.834 0.695 1.174) 2.286 19.663 ( -4.138 -1.964 0.861) 4.660 20.428 ( -3.597 5.080 -22.753) 23.589 21.679 ( 5.638 -13.502 -2.332) 14.816 22.195 ( -0.511 -26.240 11.217) 28.542 22.951 ( 1.142 4.886 19.472) 20.108 23.948 ( 18.443 22.840 -5.677) 29.901 ======================= Grid point 118 (50/130) ======================= q-point: (-0.10 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -17.821 21.168 18.552) 33.314 1.331 ( -16.038 26.457 22.602) 38.315 2.144 ( -35.797 34.640 24.557) 55.537 2.485 ( -3.019 4.323 -11.642) 12.780 2.859 ( -2.657 10.565 -9.575) 14.503 3.284 ( 2.194 -3.064 13.256) 13.781 3.562 ( 2.475 -2.446 -5.199) 6.256 4.157 ( 6.040 7.723 -18.571) 21.000 4.653 ( -6.510 -3.599 4.316) 8.600 4.872 ( -5.339 -10.044 4.124) 12.100 5.068 ( 0.796 4.567 -5.032) 6.842 5.243 ( 6.650 0.377 -3.456) 7.504 5.339 ( -0.861 -7.374 6.787) 10.059 5.394 ( -3.800 6.888 2.081) 8.137 5.716 ( 5.021 4.479 -5.845) 8.913 5.752 ( -4.248 -4.319 -1.920) 6.355 5.926 ( -4.255 -4.458 14.200) 15.479 5.969 ( 6.201 -2.802 2.228) 7.160 6.131 ( 0.320 3.758 3.914) 5.435 6.262 ( -5.925 -1.992 -4.171) 7.515 6.316 ( 5.028 -2.554 -1.275) 5.782 6.462 ( 1.696 7.699 2.543) 8.283 6.589 ( -0.200 6.610 -1.138) 6.710 6.729 ( -2.325 4.644 -2.050) 5.583 6.997 ( -4.666 5.663 -2.368) 7.710 7.036 ( -1.388 1.513 3.347) 3.926 7.141 ( 6.457 10.145 -6.714) 13.773 7.594 ( 8.761 23.803 -5.493) 25.952 7.615 ( -1.197 5.008 2.757) 5.841 7.748 ( 1.587 -3.360 -8.255) 9.053 8.083 ( -0.584 3.746 -3.188) 4.953 8.199 ( 5.249 -4.727 -1.134) 7.154 8.283 ( 4.783 0.313 2.202) 5.275 8.388 ( -1.913 1.536 -3.885) 4.595 8.493 ( -3.089 -0.638 1.737) 3.600 8.646 ( -2.490 5.799 -3.788) 7.360 8.786 ( -5.372 0.785 11.336) 12.570 8.946 ( -3.528 -1.131 -5.557) 6.679 9.112 ( 5.609 -2.679 -0.482) 6.235 9.182 ( 5.673 -1.536 0.934) 5.951 9.203 ( 11.936 0.121 -0.990) 11.978 9.366 ( 0.349 3.601 5.819) 6.852 9.387 ( 4.533 8.735 2.991) 10.286 9.618 ( -4.396 0.073 7.449) 8.650 9.707 ( -9.204 -1.327 -9.444) 13.254 9.999 ( 5.321 -1.412 0.002) 5.505 10.177 ( 6.640 -0.795 -0.150) 6.689 10.412 ( 2.649 -0.572 5.030) 5.714 10.476 ( 17.308 4.313 13.321) 22.263 10.549 ( 8.292 0.752 -6.833) 10.771 10.773 ( 2.430 -3.302 -0.839) 4.185 10.888 ( -3.770 -0.810 -8.105) 8.976 11.214 ( 1.836 -2.220 -0.474) 2.919 11.341 ( 5.212 -4.706 7.191) 10.051 11.463 ( 3.140 2.170 4.355) 5.791 11.580 ( 2.017 -0.771 -5.500) 5.909 11.724 ( 5.256 -3.213 -7.405) 9.632 11.905 ( -3.456 -2.331 3.457) 5.416 11.997 ( -7.900 2.594 0.681) 8.343 12.031 ( -3.908 -3.157 5.554) 7.489 12.184 ( -1.210 -0.468 -5.245) 5.403 12.553 ( -0.321 -3.176 0.886) 3.312 12.611 ( -0.597 2.479 4.026) 4.765 12.846 ( -4.394 4.731 0.177) 6.459 13.164 ( -1.933 -13.551 -3.565) 14.144 13.294 ( 1.069 -2.612 2.488) 3.762 13.550 ( -5.072 -5.455 6.562) 9.927 13.617 ( -2.339 -0.482 -0.485) 2.437 13.741 ( -1.050 -2.313 3.719) 4.504 13.792 ( 0.820 -15.463 16.420) 22.570 14.024 ( 0.118 0.330 -6.322) 6.331 14.247 ( -9.124 -1.351 1.552) 9.354 14.471 ( -1.163 -6.156 -5.919) 8.619 15.095 ( 11.313 -3.230 -11.214) 16.253 15.164 ( -1.524 2.155 -18.065) 18.257 15.494 ( -0.693 -5.388 -3.032) 6.221 15.766 ( 3.900 0.137 0.834) 3.990 16.206 ( -2.828 2.498 -3.231) 4.968 16.343 ( 0.747 0.858 -0.864) 1.429 16.388 ( 3.199 -0.280 2.012) 3.790 16.817 ( 18.093 15.129 14.502) 27.687 17.895 ( -4.032 1.796 -7.067) 8.332 17.968 ( 0.161 -4.792 9.681) 10.803 18.254 ( -1.589 0.456 0.940) 1.902 19.578 ( -4.027 1.750 -0.012) 4.390 20.237 ( -7.546 11.761 -23.766) 27.570 21.815 ( 7.316 -18.903 3.751) 20.614 22.155 ( -8.329 -29.422 9.852) 32.126 23.019 ( -3.032 3.970 20.373) 20.977 24.277 ( 17.561 19.965 -19.299) 32.855 ======================= Grid point 119 (51/130) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -1.281 26.061 9.297) 27.700 1.781 ( -5.315 25.697 21.925) 34.195 2.462 ( 2.158 5.124 -9.940) 11.389 2.880 ( -5.190 32.938 -1.426) 33.375 3.042 ( 0.062 13.084 -7.017) 14.847 3.385 ( -4.566 18.263 12.707) 22.712 3.507 ( 10.127 -5.708 -2.251) 11.840 4.080 ( -5.525 -10.154 -5.548) 12.822 4.568 ( 1.844 -3.579 1.367) 4.252 4.762 ( 1.598 -0.612 2.421) 2.964 5.160 ( 2.584 -3.435 3.517) 5.553 5.276 ( 1.134 -3.175 4.155) 5.351 5.306 ( -2.334 10.406 3.432) 11.203 5.470 ( 1.580 1.037 -4.438) 4.823 5.638 ( -6.731 6.938 -5.458) 11.101 5.823 ( 1.774 2.539 -0.116) 3.100 5.904 ( -6.214 2.442 -0.915) 6.739 6.005 ( 1.878 1.088 0.283) 2.189 6.095 ( -2.038 -2.790 -3.289) 4.770 6.289 ( 3.268 1.412 5.433) 6.495 6.336 ( 1.783 2.320 -0.222) 2.934 6.643 ( -0.649 5.600 -4.845) 7.434 6.728 ( 2.416 3.900 4.037) 6.111 6.839 ( 4.339 6.278 1.630) 7.803 6.900 ( -6.169 3.357 0.734) 7.061 7.133 ( 1.590 4.042 2.977) 5.266 7.374 ( 2.086 5.401 -4.902) 7.587 7.557 ( -2.654 -0.323 -6.036) 6.601 7.873 ( 0.333 11.487 -2.736) 11.813 8.021 ( -1.547 -1.989 0.613) 2.593 8.091 ( -4.836 -2.423 0.588) 5.441 8.175 ( 5.912 6.971 0.468) 9.152 8.342 ( -3.402 -1.591 4.895) 6.170 8.367 ( 3.595 12.337 -9.331) 15.881 8.462 ( -1.054 -0.468 -3.260) 3.458 8.728 ( 2.153 0.703 2.023) 3.036 8.867 ( -2.942 6.101 4.774) 8.286 8.940 ( 0.038 8.592 -7.034) 11.105 9.130 ( -0.170 0.097 3.017) 3.023 9.180 ( 1.171 -4.151 -2.724) 5.101 9.341 ( -2.508 0.930 1.925) 3.296 9.395 ( 7.661 -0.582 0.112) 7.683 9.422 ( -5.421 -1.434 1.518) 5.810 9.596 ( -5.801 5.288 -1.469) 7.986 9.769 ( 1.905 9.498 0.485) 9.699 10.039 ( 1.759 -0.997 0.306) 2.045 10.242 ( -0.115 0.836 1.182) 1.452 10.377 ( 2.279 -3.666 -0.573) 4.354 10.527 ( 0.720 -4.788 -2.068) 5.265 10.641 ( -6.443 -2.249 -3.410) 7.628 10.721 ( 2.154 -2.927 0.247) 3.642 10.933 ( 2.640 -3.175 -1.865) 4.531 11.178 ( -1.404 -5.123 3.257) 6.231 11.390 ( 0.651 -3.564 8.646) 9.374 11.456 ( 3.919 -0.143 -0.705) 3.985 11.561 ( 4.243 -0.998 -2.003) 4.797 11.771 ( 1.994 -0.447 -0.513) 2.107 11.881 ( 2.888 -1.909 11.549) 12.056 11.990 ( -3.533 5.256 3.007) 7.011 12.058 ( -1.403 6.899 0.587) 7.065 12.199 ( 4.394 -3.135 0.313) 5.407 12.367 ( -6.937 -6.418 -4.366) 10.411 12.699 ( -0.509 1.375 4.234) 4.480 12.871 ( 0.399 -1.956 -3.843) 4.331 13.024 ( 7.389 1.330 2.002) 7.770 13.219 ( -6.371 0.887 5.655) 8.564 13.300 ( -3.384 -6.775 1.708) 7.764 13.509 ( -6.181 -5.059 7.537) 10.982 13.758 ( 2.619 -3.168 2.340) 4.730 13.805 ( 5.032 -4.120 -5.855) 8.751 13.872 ( -5.208 -2.494 1.791) 6.046 14.189 ( 0.016 -1.101 2.777) 2.987 14.218 ( 0.134 -12.811 -6.142) 14.208 15.077 ( 2.065 -3.269 2.861) 4.810 15.245 ( 5.424 1.451 -7.800) 9.611 15.345 ( 2.594 -2.059 -24.583) 24.805 15.763 ( 1.172 -11.374 1.474) 11.528 16.091 ( 0.991 -3.295 -1.228) 3.654 16.353 ( 3.270 -0.175 -0.448) 3.305 16.390 ( -1.790 -0.590 -0.862) 2.073 17.345 ( 10.883 0.138 1.123) 10.942 17.609 ( -19.414 -3.072 0.686) 19.668 18.016 ( 7.822 0.024 8.287) 11.396 18.238 ( -1.425 0.336 0.546) 1.562 19.749 ( 2.284 11.799 3.791) 12.602 20.395 ( 1.460 14.184 -19.666) 24.292 21.272 ( -12.136 -19.818 17.396) 29.028 21.872 ( 9.302 -11.236 -4.874) 15.380 23.053 ( -13.932 4.242 19.921) 24.677 24.506 ( 2.788 3.608 -21.902) 22.372 ======================= Grid point 120 (52/130) ======================= q-point: ( 0.10 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 11.220 25.241 8.325) 28.849 1.880 ( 6.412 23.957 21.618) 32.900 2.525 ( 8.363 5.466 -11.096) 14.932 2.745 ( -4.045 10.348 -2.993) 11.506 3.001 ( -2.953 7.823 -2.163) 8.637 3.480 ( 11.095 34.792 4.281) 36.768 3.701 ( 6.457 -1.242 6.266) 9.083 4.012 ( 2.636 -17.206 -8.796) 19.503 4.617 ( 2.972 -4.136 -0.042) 5.093 4.734 ( -5.570 0.134 4.188) 6.969 5.170 ( -2.256 3.479 4.080) 5.817 5.290 ( -1.812 -3.872 5.817) 7.219 5.334 ( 2.370 4.974 2.050) 5.878 5.497 ( 2.024 -0.050 -4.164) 4.630 5.542 ( 1.608 7.038 -4.646) 8.585 5.798 ( -3.662 2.140 -6.796) 8.011 5.817 ( -2.588 6.917 -0.985) 7.451 6.007 ( -0.782 3.222 2.242) 4.003 6.035 ( -2.333 -6.161 -2.336) 6.990 6.368 ( 0.313 6.370 2.235) 6.758 6.389 ( 5.541 1.922 1.790) 6.132 6.594 ( -1.559 0.420 -3.734) 4.068 6.708 ( -4.735 7.003 4.568) 9.609 6.857 ( 1.042 6.514 2.971) 7.235 7.017 ( 9.188 7.693 -0.048) 11.984 7.164 ( 1.429 2.310 4.167) 4.974 7.404 ( 1.959 5.120 -5.763) 7.954 7.488 ( 0.457 2.609 -8.180) 8.598 7.798 ( -5.531 10.982 -3.361) 12.747 7.999 ( -2.143 0.703 0.772) 2.384 8.047 ( -0.990 4.050 1.217) 4.343 8.236 ( -0.386 3.919 -1.111) 4.092 8.301 ( -2.192 -4.858 8.191) 9.772 8.396 ( 2.266 9.182 -5.305) 10.844 8.477 ( 3.954 5.606 -4.585) 8.251 8.784 ( 0.768 2.268 4.933) 5.484 8.832 ( -1.183 3.962 -2.044) 4.613 8.916 ( 0.343 9.066 -2.646) 9.451 9.095 ( -4.519 1.817 -1.785) 5.187 9.137 ( -4.296 -3.606 -3.524) 6.624 9.315 ( -3.012 -0.830 3.171) 4.452 9.335 ( -1.790 4.388 4.260) 6.373 9.433 ( -4.255 2.982 -4.540) 6.900 9.560 ( 1.128 1.301 5.058) 5.343 9.794 ( 2.616 5.735 -1.140) 6.406 10.060 ( -0.934 -1.895 1.732) 2.732 10.208 ( -1.644 0.747 -1.456) 2.320 10.331 ( -7.308 0.459 -5.788) 9.333 10.477 ( -3.934 -2.038 0.096) 4.431 10.579 ( 0.803 -3.517 3.969) 5.364 10.781 ( 1.665 -3.617 4.409) 5.940 10.896 ( -3.577 -1.500 -4.116) 5.656 11.114 ( -5.828 -6.204 2.837) 8.972 11.321 ( -6.731 -2.693 0.776) 7.291 11.421 ( -5.169 -2.127 -5.680) 7.968 11.663 ( -1.295 -4.498 -1.199) 4.831 11.830 ( 2.832 1.129 4.525) 5.456 11.944 ( -2.471 2.359 3.471) 4.870 11.969 ( -1.282 -2.350 8.582) 8.990 12.054 ( 1.363 3.631 -0.897) 3.981 12.220 ( -1.575 -7.630 -3.684) 8.618 12.346 ( 9.736 -4.589 3.462) 11.306 12.671 ( -4.746 -1.134 3.055) 5.757 12.898 ( 2.190 -3.202 -3.560) 5.265 13.063 ( -4.832 0.871 0.840) 4.982 13.156 ( -2.985 -4.974 4.210) 7.167 13.307 ( 3.318 0.685 4.813) 5.886 13.446 ( -0.250 -3.458 2.124) 4.066 13.699 ( -4.810 -1.073 -2.113) 5.362 13.759 ( -3.685 -7.437 2.287) 8.609 13.963 ( 6.628 -4.355 -1.782) 8.129 14.200 ( 1.353 -6.386 0.460) 6.544 14.278 ( 6.287 -6.530 -3.115) 9.585 14.989 ( -7.051 -1.429 2.543) 7.631 15.293 ( 0.681 -5.070 -17.948) 18.663 15.474 ( 15.421 -1.714 -6.725) 16.911 15.749 ( -1.253 -10.383 0.527) 10.471 16.127 ( 3.301 0.816 -1.958) 3.924 16.291 ( -6.797 -0.307 -2.012) 7.095 16.462 ( 5.856 0.462 -0.373) 5.886 17.275 ( -14.982 -3.349 5.533) 16.319 17.443 ( -1.631 -2.450 3.047) 4.236 18.182 ( 3.949 2.528 3.826) 6.052 18.234 ( 2.782 0.313 0.465) 2.838 19.786 ( 0.051 10.407 4.320) 11.268 20.395 ( 7.101 11.365 -21.668) 25.477 21.118 ( -8.693 -14.082 12.661) 20.837 22.001 ( 3.954 -8.088 1.669) 9.157 22.867 ( -11.055 1.108 13.148) 17.214 24.412 ( -4.566 9.425 -15.134) 18.405 ======================= Grid point 121 (53/130) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 9.797 18.743 6.157) 22.027 2.143 ( 11.626 20.583 18.666) 30.120 2.578 ( -0.180 0.815 -11.674) 11.704 2.814 ( 13.387 6.085 1.549) 14.786 3.055 ( 9.723 9.474 -1.528) 13.661 3.665 ( 1.522 0.511 4.683) 4.950 3.840 ( 11.744 25.791 3.923) 28.609 4.098 ( 7.522 -16.920 -10.251) 21.165 4.608 ( -4.624 -3.861 -3.204) 6.824 4.699 ( 2.599 -4.779 5.463) 7.710 5.163 ( -0.193 6.966 0.575) 6.992 5.251 ( -2.947 -4.444 4.522) 6.992 5.340 ( -1.490 6.616 2.762) 7.322 5.543 ( 1.328 0.437 -2.053) 2.484 5.590 ( 0.298 -2.525 -3.171) 4.064 5.716 ( 1.996 9.699 -5.791) 11.472 5.788 ( 0.433 7.498 0.400) 7.521 5.996 ( 0.126 -8.964 -3.036) 9.465 6.019 ( 0.729 4.851 2.356) 5.442 6.335 ( -4.489 7.075 3.847) 9.220 6.506 ( 5.072 4.855 1.405) 7.161 6.573 ( 0.640 -0.207 -6.968) 7.001 6.649 ( -2.053 9.012 5.803) 10.914 6.911 ( 2.657 4.959 1.905) 5.939 7.126 ( 3.772 9.780 3.592) 11.080 7.219 ( 1.325 -1.899 -0.531) 2.375 7.368 ( 0.518 10.219 -6.770) 12.269 7.556 ( 6.379 4.214 -7.882) 10.981 7.686 ( -5.068 9.099 -1.781) 10.567 7.921 ( -6.786 3.360 0.759) 7.611 7.989 ( -5.603 3.811 2.010) 7.068 8.229 ( -0.272 2.612 1.338) 2.948 8.271 ( -4.586 0.570 7.575) 8.873 8.444 ( 4.804 9.616 -5.291) 11.981 8.534 ( 2.232 6.843 -0.151) 7.199 8.778 ( 0.068 5.546 -2.420) 6.051 8.794 ( -2.642 5.673 -4.001) 7.427 8.948 ( 0.351 0.340 -2.134) 2.189 8.967 ( -2.939 7.908 0.413) 8.446 9.043 ( -5.585 -2.362 0.934) 6.136 9.236 ( -4.452 3.315 -0.155) 5.553 9.348 ( -1.161 5.179 3.535) 6.377 9.374 ( -0.639 0.151 0.350) 0.745 9.552 ( -2.798 3.904 4.511) 6.590 9.834 ( 0.699 2.598 -3.814) 4.668 9.967 ( -9.891 1.964 -1.828) 10.249 10.128 ( -4.775 -0.018 -2.100) 5.216 10.251 ( -0.648 -3.427 0.619) 3.542 10.447 ( 1.040 -2.108 3.522) 4.234 10.563 ( -4.565 -3.761 1.552) 6.115 10.759 ( -6.340 -2.061 -1.299) 6.792 10.828 ( -2.223 0.225 4.001) 4.582 11.013 ( -4.879 -6.217 0.732) 7.936 11.168 ( -7.266 -0.914 0.144) 7.325 11.325 ( -3.080 -2.810 -4.966) 6.484 11.588 ( -6.854 -7.561 1.944) 10.388 11.713 ( -14.348 0.827 -2.320) 14.558 11.829 ( -2.779 0.039 -0.259) 2.791 12.045 ( 1.007 -3.143 3.204) 4.600 12.067 ( 3.047 3.778 1.914) 5.217 12.302 ( 6.476 -8.378 -3.713) 11.221 12.505 ( -7.250 -2.789 5.821) 9.707 12.580 ( 6.716 -6.503 2.694) 9.729 12.872 ( -4.232 1.410 -0.502) 4.489 12.988 ( -2.236 0.998 0.492) 2.498 13.139 ( 0.879 -5.081 2.520) 5.739 13.338 ( 0.334 -0.869 0.573) 1.093 13.552 ( 5.911 -6.231 4.154) 9.540 13.630 ( -3.874 -3.011 -1.770) 5.216 13.694 ( -0.623 -8.289 -2.035) 8.558 14.077 ( 6.300 -4.708 -0.852) 7.911 14.232 ( 1.821 -6.186 -0.282) 6.455 14.390 ( 6.155 -5.357 -2.254) 8.465 14.882 ( -5.748 -1.224 2.373) 6.338 15.228 ( -0.603 -8.905 -11.909) 14.883 15.646 ( 3.309 -6.588 -4.726) 8.757 15.784 ( 4.836 -2.475 -4.725) 7.200 16.156 ( -3.160 0.670 6.540) 7.294 16.204 ( 3.138 4.015 -2.838) 5.833 16.520 ( 0.677 -0.864 -1.152) 1.592 17.138 ( -2.855 0.092 9.260) 9.691 17.353 ( -7.317 -1.513 0.754) 7.509 18.204 ( 0.764 0.887 -0.803) 1.420 18.299 ( 0.394 4.418 2.764) 5.227 19.780 ( -2.642 7.718 4.696) 9.413 20.486 ( 11.213 0.583 -23.056) 25.645 21.073 ( -0.639 -8.840 8.792) 12.484 22.031 ( -2.203 -4.961 7.309) 9.105 22.757 ( -5.174 -0.765 6.869) 8.633 24.231 ( -9.836 10.428 -7.670) 16.258 ======================= Grid point 122 (54/130) ======================= q-point: ( 0.30 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 10.500 2.912 5.547) 12.227 2.366 ( 6.168 11.029 6.587) 14.251 2.632 ( 10.886 14.768 1.755) 18.431 3.075 ( 11.078 5.170 -0.171) 12.227 3.291 ( 14.363 9.733 -2.577) 17.541 3.649 ( -3.568 -9.450 9.367) 13.776 3.993 ( -0.810 2.382 -14.029) 14.253 4.240 ( 14.526 8.685 -2.052) 17.048 4.533 ( -3.637 -8.613 0.283) 9.353 4.774 ( 3.108 -4.599 2.729) 6.185 5.125 ( -2.971 8.250 -1.719) 8.936 5.255 ( -0.139 -0.468 3.794) 3.825 5.337 ( 3.272 1.733 -1.371) 3.948 5.541 ( 1.928 4.451 -5.561) 7.379 5.542 ( -3.730 0.036 5.565) 6.699 5.705 ( -2.985 7.923 -0.460) 8.479 5.884 ( 5.781 2.748 2.889) 7.023 6.017 ( 1.410 -1.603 3.572) 4.161 6.097 ( 9.395 -0.534 -7.436) 11.993 6.248 ( -5.683 3.220 1.455) 6.692 6.515 ( -3.643 11.424 -3.354) 12.451 6.571 ( 0.479 0.361 4.997) 5.033 6.707 ( 4.931 3.555 0.537) 6.103 6.948 ( 1.455 3.183 -2.455) 4.275 7.175 ( -2.131 0.054 3.553) 4.143 7.260 ( 6.335 8.340 0.449) 10.483 7.398 ( 3.988 14.965 -4.871) 16.235 7.576 ( -2.817 10.624 -3.654) 11.583 7.618 ( -0.579 3.256 -4.288) 5.416 7.779 ( -6.845 3.157 -0.928) 7.595 7.874 ( -7.456 1.768 3.756) 8.534 8.189 ( -4.174 10.266 1.224) 11.150 8.216 ( -3.893 0.709 4.438) 5.945 8.523 ( 3.995 10.419 -1.254) 11.229 8.542 ( 0.608 8.567 -2.607) 8.976 8.725 ( -1.560 6.390 -4.329) 7.874 8.798 ( 1.584 1.232 0.266) 2.024 8.921 ( 1.524 2.303 -0.023) 2.762 8.931 ( -5.346 0.384 -3.447) 6.373 9.010 ( 1.910 7.413 3.006) 8.224 9.177 ( -1.626 1.876 -0.649) 2.566 9.294 ( -6.581 10.316 2.247) 12.441 9.363 ( -1.519 -0.814 2.188) 2.785 9.527 ( -1.574 1.269 3.548) 4.083 9.720 ( -11.737 3.714 -2.153) 12.498 9.809 ( -1.575 2.807 -2.904) 4.335 10.060 ( -3.068 -1.421 -1.226) 3.596 10.209 ( -4.113 0.618 4.959) 6.472 10.426 ( -6.552 -3.216 -1.941) 7.552 10.553 ( 4.544 -5.390 0.886) 7.105 10.590 ( -8.991 -4.045 -2.627) 10.203 10.789 ( -3.695 0.355 5.782) 6.871 10.955 ( -1.938 -4.215 -0.474) 4.663 11.106 ( -1.177 -2.637 2.381) 3.743 11.205 ( -10.672 -2.215 -0.386) 10.906 11.410 ( -6.206 -6.164 -2.791) 9.182 11.529 ( -5.934 -0.871 -1.495) 6.182 11.763 ( -4.027 -0.595 -1.376) 4.297 12.038 ( -0.906 -5.872 2.120) 6.308 12.156 ( 1.392 -0.174 5.535) 5.710 12.266 ( -6.549 1.378 -2.321) 7.084 12.437 ( 1.707 -3.766 -0.057) 4.135 12.755 ( 2.669 -2.733 2.479) 4.554 12.804 ( 1.790 1.922 5.537) 6.128 12.992 ( 2.074 0.085 1.626) 2.637 13.187 ( 3.250 -4.334 0.678) 5.460 13.346 ( 0.028 -3.712 -5.044) 6.262 13.520 ( -4.028 -3.785 1.601) 5.755 13.617 ( 0.919 -10.247 -4.003) 11.039 13.752 ( 4.689 -8.944 -0.134) 10.100 14.184 ( 4.747 -4.432 -0.840) 6.548 14.271 ( 2.779 -6.672 -0.969) 7.292 14.480 ( 4.244 -5.262 -1.939) 7.033 14.764 ( -7.921 -1.180 1.330) 8.118 15.212 ( 3.210 -9.704 -7.355) 12.592 15.615 ( -6.127 -3.227 0.499) 6.942 15.758 ( -1.566 -3.744 -10.835) 11.570 16.231 ( 4.423 2.715 1.673) 5.453 16.272 ( 4.626 0.839 8.937) 10.098 16.527 ( 1.116 3.126 1.958) 3.854 17.157 ( -4.767 4.722 13.793) 15.339 17.239 ( 1.660 -2.803 -12.478) 12.896 18.215 ( -0.924 3.022 1.938) 3.707 18.276 ( -2.160 3.024 1.601) 4.046 19.729 ( -4.439 5.365 5.177) 8.677 20.601 ( 9.716 -8.024 -23.949) 27.061 21.148 ( 4.971 -5.093 7.362) 10.240 21.988 ( -5.137 -3.174 6.874) 9.149 22.714 ( -2.263 -0.897 6.887) 7.304 24.001 ( -11.643 8.259 -4.568) 14.987 ======================= Grid point 123 (55/130) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 0.499 0.501 8.074) 8.105 2.606 ( 18.075 3.154 -0.552) 18.356 2.879 ( 11.306 17.290 4.656) 21.177 3.176 ( -0.486 3.731 -1.530) 4.062 3.422 ( -3.835 -1.063 -3.512) 5.307 3.705 ( 7.167 -2.054 9.821) 12.330 3.860 ( -0.717 2.988 -17.019) 17.294 4.390 ( -7.967 -3.944 -1.971) 9.106 4.516 ( 8.978 4.873 2.107) 10.430 4.797 ( -2.774 -3.990 2.813) 5.615 5.113 ( 4.319 9.896 -3.309) 11.293 5.260 ( 0.022 3.133 1.296) 3.390 5.393 ( -2.273 8.418 -2.674) 9.120 5.550 ( 7.982 -2.428 5.884) 10.209 5.581 ( -0.435 7.436 -0.826) 7.494 5.688 ( 4.400 1.261 -0.971) 4.679 5.963 ( -0.283 -1.493 3.899) 4.184 6.050 ( -0.610 3.149 5.325) 6.216 6.153 ( -2.359 -2.914 -0.837) 3.842 6.255 ( 8.600 -3.288 -7.233) 11.709 6.429 ( -3.846 9.253 -3.118) 10.495 6.567 ( -2.973 1.607 5.669) 6.600 6.790 ( 2.775 -1.200 0.741) 3.113 6.970 ( 3.139 4.785 -4.237) 7.121 7.136 ( -3.279 5.184 3.879) 7.258 7.373 ( 4.356 3.746 -0.925) 5.819 7.463 ( 3.477 18.392 -3.642) 19.068 7.505 ( -3.184 8.798 0.520) 9.371 7.548 ( -4.477 3.497 -0.080) 5.682 7.711 ( 0.507 1.868 -4.998) 5.360 7.760 ( -5.172 3.820 2.393) 6.860 8.127 ( -3.292 9.966 -0.868) 10.532 8.156 ( -2.397 5.933 4.364) 7.745 8.523 ( 0.269 8.751 -1.025) 8.815 8.618 ( 4.218 6.962 -4.595) 9.347 8.695 ( 0.300 9.017 -2.782) 9.441 8.796 ( -3.022 1.298 -2.596) 4.190 8.864 ( 0.660 3.993 3.580) 5.403 8.974 ( 3.078 0.543 -2.632) 4.086 9.060 ( 1.445 9.889 2.190) 10.231 9.087 ( -10.247 6.667 -1.463) 12.312 9.192 ( 0.427 3.506 -0.355) 3.550 9.325 ( -4.590 -0.077 6.511) 7.967 9.473 ( -3.944 1.622 2.807) 5.106 9.620 ( 0.424 1.163 4.729) 4.888 9.807 ( 2.910 2.549 -3.099) 4.957 9.989 ( -3.871 -0.461 -1.871) 4.324 10.165 ( -2.268 5.390 3.544) 6.838 10.291 ( -7.261 -1.800 -0.720) 7.516 10.431 ( -4.990 -7.493 -1.271) 9.091 10.615 ( 1.106 -6.767 -5.438) 8.751 10.762 ( -1.736 -0.646 6.646) 6.899 10.863 ( -7.929 -2.424 -2.752) 8.736 11.034 ( -4.109 -4.167 4.109) 7.150 11.092 ( -2.080 -2.909 2.618) 4.432 11.357 ( -0.944 -3.535 -5.343) 6.476 11.449 ( -1.211 -2.649 -0.418) 2.942 11.698 ( -1.264 -0.206 -3.066) 3.323 11.997 ( -5.269 -5.084 7.620) 10.568 12.129 ( -1.060 0.080 1.585) 1.909 12.252 ( 1.244 3.710 1.980) 4.385 12.455 ( -0.105 -0.083 1.663) 1.668 12.722 ( -1.438 0.373 -3.624) 3.916 12.894 ( -1.979 2.080 9.228) 9.664 13.074 ( 4.983 -3.871 2.885) 6.939 13.273 ( 5.648 -0.258 0.661) 5.693 13.309 ( 1.851 -7.265 -8.248) 11.146 13.493 ( -1.848 -11.402 -0.690) 11.572 13.635 ( 4.301 -4.686 -4.462) 7.769 13.812 ( 1.437 -12.096 0.140) 12.182 14.229 ( 1.215 -1.541 -3.391) 3.918 14.323 ( 2.526 -9.097 -1.257) 9.524 14.532 ( 1.546 -6.777 -1.898) 7.206 14.621 ( -6.527 -1.934 2.589) 7.284 15.271 ( 5.080 -8.333 -9.949) 13.937 15.443 ( -9.768 -1.139 0.754) 9.863 15.722 ( 0.234 -3.849 -4.170) 5.680 16.252 ( -0.499 -0.985 0.466) 1.198 16.400 ( 1.509 -1.431 7.559) 7.840 16.592 ( 3.360 11.526 8.756) 14.860 17.069 ( -4.501 0.450 1.799) 4.868 17.315 ( 8.308 3.143 -10.769) 13.960 18.141 ( -7.800 4.636 8.729) 12.591 18.287 ( 2.222 0.121 -1.427) 2.643 19.672 ( -3.465 3.849 5.424) 7.499 20.650 ( 5.360 -10.198 -23.314) 26.005 21.300 ( 7.543 -4.909 7.439) 11.676 21.894 ( -6.614 -2.659 2.488) 7.551 22.728 ( 0.076 0.452 10.612) 10.622 23.786 ( -8.592 5.323 -5.052) 11.300 ======================= Grid point 124 (56/130) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -1.638 5.543 10.370) 11.873 2.854 ( 2.026 7.007 1.108) 7.378 3.030 ( -12.697 2.748 -0.563) 13.003 3.116 ( 14.503 2.214 -1.155) 14.717 3.249 ( -6.759 -1.585 -7.805) 10.445 3.736 ( -2.695 8.017 -2.951) 8.958 4.016 ( 13.290 0.874 -2.113) 13.485 4.196 ( -9.551 -3.493 -0.585) 10.187 4.599 ( -1.770 2.137 1.759) 3.285 4.790 ( 3.562 1.705 2.533) 4.692 5.188 ( 1.203 7.402 -0.955) 7.560 5.282 ( -1.454 5.702 -1.594) 6.097 5.326 ( 3.559 11.027 -0.800) 11.615 5.525 ( -4.276 6.157 0.430) 7.508 5.723 ( -4.338 -7.182 4.051) 9.317 5.786 ( 7.110 0.756 1.574) 7.322 5.908 ( 2.193 5.011 -3.928) 6.734 6.056 ( -1.363 2.523 4.617) 5.435 6.161 ( -0.922 -6.480 3.292) 7.327 6.310 ( -0.814 -5.329 -2.706) 6.032 6.383 ( 1.759 6.061 -3.697) 7.314 6.540 ( -0.477 1.689 2.950) 3.433 6.811 ( -0.039 -4.332 2.081) 4.807 7.009 ( -0.534 3.944 -0.913) 4.084 7.122 ( 3.235 10.304 0.018) 10.800 7.367 ( -5.321 7.686 -1.403) 9.453 7.427 ( -2.298 7.723 -0.504) 8.073 7.491 ( 1.120 9.015 -0.227) 9.087 7.557 ( 3.048 3.144 -2.484) 5.035 7.672 ( -2.371 5.694 -0.558) 6.193 7.770 ( 4.296 5.494 0.198) 6.977 8.058 ( -2.379 6.265 -1.570) 6.883 8.171 ( 0.932 10.895 3.707) 11.546 8.531 ( 0.200 8.622 -1.911) 8.833 8.609 ( -0.548 1.986 -5.064) 5.467 8.731 ( 1.128 12.231 -3.739) 12.840 8.765 ( 2.158 6.410 -1.444) 6.915 8.851 ( -6.277 5.376 -0.314) 8.270 8.923 ( 0.672 5.489 -1.858) 5.834 9.014 ( 2.097 3.027 0.252) 3.691 9.109 ( -0.098 7.606 2.658) 8.058 9.236 ( 3.246 0.913 -0.478) 3.405 9.282 ( -0.896 0.231 10.254) 10.295 9.479 ( 2.744 3.237 5.046) 6.593 9.680 ( 2.176 -1.612 8.712) 9.123 9.870 ( 0.227 0.834 -2.062) 2.236 9.926 ( 2.504 1.327 -6.335) 6.940 10.130 ( -1.628 3.286 -1.151) 3.844 10.180 ( -3.650 0.710 1.689) 4.084 10.382 ( -1.068 -5.607 -1.334) 5.861 10.559 ( -4.289 -9.876 -3.817) 11.424 10.725 ( -0.977 -0.852 1.600) 2.059 10.818 ( 2.307 -1.773 2.142) 3.613 11.015 ( -0.019 -4.289 1.080) 4.423 11.054 ( -2.647 -1.285 2.692) 3.988 11.331 ( 1.606 -3.015 -5.472) 6.451 11.460 ( 1.046 -3.370 0.279) 3.540 11.688 ( 0.844 0.468 -3.767) 3.889 11.959 ( -1.659 -2.445 8.790) 9.273 12.138 ( 0.201 -1.664 3.068) 3.496 12.280 ( 1.087 5.030 3.931) 6.476 12.464 ( 0.685 1.885 2.712) 3.373 12.673 ( -1.855 0.693 -6.545) 6.838 12.825 ( -5.727 2.598 3.382) 7.140 13.141 ( 0.736 -5.551 3.243) 6.471 13.354 ( 3.845 -9.216 -5.591) 11.445 13.402 ( 4.725 -3.315 2.833) 6.430 13.426 ( -2.492 -7.468 0.018) 7.872 13.716 ( 2.366 -6.211 -1.129) 6.742 13.821 ( 1.691 -11.478 -3.815) 12.213 14.219 ( -0.422 0.423 -4.482) 4.522 14.354 ( 2.542 -9.460 -1.615) 9.927 14.481 ( -4.227 -7.344 0.332) 8.480 14.604 ( 1.457 -5.161 0.872) 5.433 15.194 ( -7.768 -2.717 -5.060) 9.661 15.407 ( 5.849 -6.582 -11.592) 14.557 15.727 ( 0.768 -1.509 3.236) 3.652 16.232 ( -1.856 -3.710 0.522) 4.181 16.372 ( -5.979 -0.537 5.558) 8.181 16.672 ( -0.346 14.517 11.687) 18.640 17.015 ( -1.851 1.552 -2.225) 3.284 17.463 ( 12.537 4.028 -12.364) 18.063 18.023 ( -8.542 2.132 11.264) 14.296 18.321 ( 1.546 0.389 -0.237) 1.611 19.648 ( -1.326 2.132 5.628) 6.163 20.638 ( 3.204 -7.686 -22.200) 23.711 21.459 ( 4.910 -8.220 9.745) 13.662 21.775 ( -5.324 -3.099 -2.512) 6.653 22.795 ( 1.731 3.323 14.392) 14.872 23.666 ( -1.040 3.405 -7.331) 8.150 ======================= Grid point 125 (57/130) ======================= q-point: (-0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -5.105 9.663 12.237) 16.407 2.695 ( -17.064 7.153 1.845) 18.595 2.761 ( -9.829 9.120 -3.239) 13.793 3.138 ( -3.927 1.992 -7.101) 8.356 3.393 ( 10.143 -3.099 2.746) 10.955 3.612 ( -9.584 9.265 0.377) 13.335 4.069 ( -0.759 -1.838 -8.713) 8.937 4.178 ( 2.913 4.772 -3.757) 6.735 4.604 ( 1.978 -4.274 8.144) 9.407 4.866 ( 1.261 1.887 1.512) 2.727 5.182 ( -1.313 3.104 0.023) 3.370 5.188 ( -4.247 3.808 -3.376) 6.628 5.419 ( -5.705 7.699 0.106) 9.583 5.489 ( 9.299 9.591 -0.876) 13.387 5.545 ( -9.402 -3.377 0.877) 10.029 5.877 ( 0.229 -0.062 2.300) 2.312 5.952 ( -0.082 5.570 -5.229) 7.640 6.020 ( -3.846 1.100 3.823) 5.534 6.087 ( -4.791 -4.359 7.492) 9.904 6.333 ( 2.810 3.763 -2.562) 5.349 6.418 ( 2.199 -1.857 -0.283) 2.892 6.551 ( -0.302 -0.578 -0.210) 0.685 6.835 ( 2.083 -5.222 1.155) 5.740 6.964 ( -2.629 4.210 -0.197) 4.968 7.208 ( -7.855 9.383 4.046) 12.889 7.233 ( 4.819 14.129 -4.025) 15.461 7.399 ( -1.199 10.981 -2.603) 11.349 7.534 ( 4.258 -0.257 -1.606) 4.558 7.587 ( 1.746 1.929 -3.718) 4.538 7.654 ( 0.900 11.460 -1.044) 11.543 7.881 ( 6.225 4.795 4.598) 9.104 8.045 ( 1.371 4.887 -2.196) 5.530 8.195 ( -0.059 9.640 3.980) 10.429 8.481 ( -2.899 5.890 -3.779) 7.575 8.633 ( 4.215 8.714 -3.261) 10.215 8.693 ( -2.456 8.063 -0.245) 8.432 8.779 ( 2.321 5.543 -1.538) 6.203 8.857 ( 2.581 2.100 -1.244) 3.553 8.951 ( 2.754 6.271 -0.948) 6.914 9.042 ( 0.178 5.244 0.224) 5.252 9.080 ( -1.783 4.293 -1.268) 4.818 9.312 ( 3.482 2.996 0.786) 4.661 9.365 ( 4.804 1.122 8.556) 9.877 9.600 ( 6.251 2.753 4.080) 7.956 9.731 ( -1.831 0.393 11.742) 11.891 9.813 ( -0.415 -0.483 -1.489) 1.619 9.990 ( 4.727 2.981 -2.552) 6.144 10.144 ( 1.963 2.571 -0.835) 3.341 10.210 ( 7.765 -1.634 -1.366) 8.052 10.306 ( -5.727 -5.137 -10.368) 12.910 10.503 ( 0.114 -9.113 4.204) 10.037 10.757 ( 1.351 -4.019 -1.952) 4.668 10.911 ( 7.625 -0.490 0.663) 7.669 11.041 ( 2.137 -1.853 -0.349) 2.850 11.051 ( 2.165 -2.577 5.464) 6.417 11.379 ( 5.236 -2.782 -4.184) 7.257 11.474 ( 0.437 -1.751 1.172) 2.152 11.677 ( -0.577 1.200 -4.841) 5.021 11.990 ( 1.424 -3.788 6.535) 7.687 12.142 ( -1.167 -2.377 2.768) 3.831 12.335 ( 2.381 4.513 5.376) 7.412 12.516 ( 3.305 3.004 2.594) 5.165 12.615 ( -0.600 1.454 -4.796) 5.048 12.743 ( -3.751 1.203 -0.033) 3.939 13.156 ( 0.234 -8.200 3.617) 8.965 13.280 ( -7.081 -12.119 0.783) 14.058 13.417 ( -0.167 -5.978 -4.027) 7.210 13.518 ( 4.206 -2.180 4.863) 6.789 13.681 ( -3.511 -3.094 -0.477) 4.704 13.843 ( 0.552 -11.495 -4.291) 12.282 14.175 ( -2.495 -0.302 -4.112) 4.820 14.414 ( -3.195 -9.498 1.330) 10.109 14.435 ( 5.384 -8.252 -2.316) 10.122 14.641 ( 3.033 -4.041 0.039) 5.053 15.065 ( -3.263 -3.955 -2.890) 5.886 15.453 ( 5.236 -5.169 -21.876) 23.081 15.789 ( 3.600 -1.708 8.247) 9.160 16.179 ( -4.040 -1.318 -2.229) 4.798 16.258 ( -7.738 -6.029 7.902) 12.597 16.661 ( -4.804 17.749 10.595) 21.222 16.966 ( -2.286 4.442 -3.887) 6.330 17.677 ( 14.173 3.268 -10.831) 18.135 17.917 ( -7.169 -0.569 11.965) 13.960 18.338 ( -0.016 0.678 0.931) 1.152 19.655 ( -0.507 -0.341 4.679) 4.719 20.614 ( 3.100 -2.875 -19.924) 20.367 21.506 ( -4.063 -10.161 7.424) 13.224 21.721 ( 0.795 -7.480 -0.070) 7.522 22.896 ( 2.786 6.814 15.811) 17.441 23.705 ( 8.653 3.620 -8.935) 12.954 ======================= Grid point 126 (58/130) ======================= q-point: (-0.30 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -11.265 17.404 9.625) 22.857 2.373 ( -17.463 18.395 2.503) 25.487 2.649 ( -1.822 6.631 3.256) 7.609 3.028 ( -4.300 2.903 -6.360) 8.208 3.358 ( -15.347 2.506 4.504) 16.189 3.523 ( 1.035 2.391 3.790) 4.599 3.990 ( -8.521 15.985 -9.820) 20.605 4.203 ( 4.964 -2.513 -4.766) 7.325 4.664 ( -1.717 -10.483 10.802) 15.150 4.794 ( -7.185 -2.492 -5.158) 9.189 5.101 ( -4.581 -2.878 -2.516) 5.967 5.167 ( 2.641 1.166 2.208) 3.635 5.392 ( -7.252 -0.853 2.081) 7.593 5.442 ( 8.087 11.144 -2.193) 13.942 5.611 ( 2.543 2.840 -2.172) 4.387 5.853 ( -1.296 7.734 -1.528) 7.990 5.896 ( -1.733 2.387 -0.088) 2.951 5.944 ( -4.466 1.145 4.064) 6.146 6.111 ( 1.645 -2.291 3.777) 4.714 6.329 ( -1.886 8.353 0.407) 8.572 6.456 ( 1.071 -2.886 0.940) 3.219 6.509 ( -3.153 -0.523 -1.938) 3.738 6.880 ( 0.812 -1.164 2.377) 2.769 6.921 ( -1.336 3.466 -2.534) 4.497 7.045 ( -7.984 8.043 2.084) 11.523 7.316 ( 2.162 14.257 -3.304) 14.794 7.351 ( -2.616 8.534 -1.912) 9.129 7.577 ( 2.884 -3.974 -6.653) 8.269 7.685 ( 8.135 5.613 -0.333) 9.889 7.699 ( 4.925 13.782 -1.146) 14.681 8.016 ( 3.559 4.941 9.147) 10.988 8.053 ( 0.875 1.601 -2.889) 3.417 8.214 ( 1.547 8.349 1.567) 8.635 8.448 ( 0.670 5.359 -1.655) 5.648 8.638 ( -1.730 8.398 -1.918) 8.786 8.752 ( 7.600 5.934 -1.340) 9.735 8.847 ( 5.024 3.169 -0.815) 5.996 8.875 ( -0.653 -1.642 1.995) 2.665 8.996 ( 0.342 5.009 -4.067) 6.461 9.031 ( 0.411 7.108 1.878) 7.363 9.064 ( 1.454 3.984 -1.324) 4.443 9.351 ( 1.056 4.590 0.530) 4.739 9.489 ( 3.685 -0.217 4.063) 5.489 9.601 ( -3.017 2.367 4.311) 5.770 9.788 ( 2.761 2.553 5.768) 6.885 9.886 ( 5.211 0.434 0.042) 5.229 10.111 ( -1.154 -2.136 -12.313) 12.550 10.151 ( 4.474 3.565 3.021) 6.469 10.223 ( 6.610 0.193 3.420) 7.445 10.359 ( 6.405 -1.870 -1.368) 6.811 10.592 ( 7.595 -6.257 2.956) 10.275 10.740 ( -1.010 -5.879 -4.285) 7.345 11.019 ( 2.118 -2.925 2.237) 4.248 11.129 ( 3.479 -1.515 -0.330) 3.809 11.160 ( 10.795 -3.037 -0.327) 11.219 11.461 ( 2.121 -3.693 -0.506) 4.289 11.547 ( 8.758 2.221 1.061) 9.097 11.643 ( 1.012 1.164 -5.391) 5.608 12.037 ( -0.117 -4.980 3.498) 6.087 12.112 ( -2.379 -1.467 1.735) 3.290 12.389 ( 1.031 0.849 1.364) 1.909 12.507 ( -2.280 1.802 -1.970) 3.511 12.671 ( -4.127 -1.804 1.346) 4.701 12.726 ( 9.085 2.043 7.426) 11.911 13.110 ( -8.232 -15.473 2.643) 17.725 13.226 ( 3.503 -2.633 -3.331) 5.504 13.375 ( -0.874 -5.886 -1.794) 6.215 13.584 ( -0.219 -3.001 3.137) 4.347 13.615 ( -3.901 -2.811 5.594) 7.377 13.800 ( -2.856 -7.339 -3.941) 8.806 14.105 ( -2.800 -0.576 -4.266) 5.135 14.363 ( -3.867 -10.695 3.725) 11.967 14.465 ( -0.717 -7.755 -3.761) 8.649 14.727 ( 4.517 -2.663 -0.225) 5.249 15.086 ( 7.351 -5.327 -3.085) 9.588 15.432 ( 2.257 -2.684 -24.066) 24.321 15.886 ( 0.875 -3.400 0.774) 3.595 16.076 ( -2.505 1.195 2.581) 3.790 16.180 ( -4.335 -10.611 8.510) 14.276 16.597 ( -5.047 14.606 5.090) 16.270 16.907 ( -2.231 9.841 -0.871) 10.128 17.818 ( -2.535 -4.164 9.015) 10.249 17.916 ( 9.039 4.249 -6.127) 11.717 18.328 ( -1.447 0.868 1.659) 2.366 19.654 ( -1.068 -1.980 2.061) 3.051 20.597 ( 2.276 2.534 -16.448) 16.797 21.424 ( -5.153 -10.756 2.968) 12.291 21.753 ( 0.135 -14.184 6.140) 15.456 23.017 ( 3.429 9.574 15.551) 18.581 23.908 ( 16.050 4.671 -9.278) 19.119 ======================= Grid point 127 (59/130) ======================= q-point: (-0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -15.915 24.381 6.509) 29.835 2.111 ( -12.390 27.601 8.915) 31.540 2.633 ( -2.989 7.754 -2.148) 8.584 2.988 ( 2.430 0.566 1.651) 2.992 3.053 ( -16.093 3.769 3.552) 16.906 3.547 ( -0.534 2.399 1.650) 2.961 3.703 ( -17.201 28.782 -0.379) 33.533 4.263 ( 2.065 -3.772 -6.674) 7.939 4.614 ( -5.562 -8.382 4.662) 11.087 4.670 ( -2.087 -8.668 -5.050) 10.246 5.062 ( 1.223 -1.896 -0.523) 2.316 5.236 ( 1.808 6.176 -0.681) 6.471 5.303 ( -2.799 -2.541 6.912) 7.879 5.555 ( -1.169 -1.432 -4.456) 4.824 5.663 ( 10.865 5.592 -2.446) 12.462 5.801 ( -2.810 4.584 -1.504) 5.583 5.879 ( -3.564 -0.854 5.365) 6.498 5.947 ( 4.185 9.130 -0.821) 10.077 6.134 ( -0.328 -1.593 4.027) 4.343 6.299 ( -1.894 4.400 -1.408) 4.993 6.393 ( -4.818 0.947 -2.962) 5.734 6.516 ( 2.259 2.417 3.562) 4.861 6.843 ( -5.505 6.178 2.908) 8.771 6.872 ( -3.072 6.401 -0.971) 7.166 6.986 ( 1.713 -0.100 -1.108) 2.043 7.247 ( -7.654 2.062 -1.180) 8.014 7.331 ( 2.041 13.245 -5.866) 14.629 7.609 ( 2.386 -2.359 -4.937) 5.970 7.800 ( 4.307 7.945 -0.008) 9.037 7.841 ( 8.648 16.517 -1.803) 18.731 8.021 ( 0.442 -2.437 2.362) 3.423 8.124 ( 1.625 1.093 4.995) 5.365 8.268 ( 3.603 6.718 1.174) 7.713 8.464 ( 0.291 3.624 -0.683) 3.699 8.590 ( -2.629 5.886 -3.107) 7.156 8.821 ( -4.194 1.426 -2.484) 5.079 8.869 ( 1.575 2.129 2.366) 3.551 8.934 ( 3.605 -1.377 -0.373) 3.877 9.012 ( 5.948 6.238 -2.738) 9.044 9.074 ( 3.991 3.480 -1.300) 5.452 9.116 ( 2.678 5.412 0.444) 6.055 9.393 ( 3.381 4.999 5.887) 8.431 9.471 ( -2.994 -1.059 -2.418) 3.991 9.649 ( 2.033 4.463 9.177) 10.405 9.835 ( -4.657 -0.214 -5.609) 7.294 9.900 ( 3.616 0.470 0.252) 3.655 10.061 ( 4.636 -1.056 -5.610) 7.354 10.330 ( 8.670 4.090 4.152) 10.447 10.394 ( 6.063 1.676 2.584) 6.801 10.435 ( 4.619 0.847 -0.067) 4.696 10.674 ( -1.520 -6.349 -2.531) 7.002 10.807 ( 9.368 -2.351 0.925) 9.702 11.070 ( 4.085 -9.360 2.219) 10.451 11.166 ( 1.752 0.167 -2.318) 2.911 11.398 ( 13.746 0.246 0.466) 13.756 11.480 ( 0.558 -2.012 -0.252) 2.103 11.587 ( 1.136 -3.710 -8.908) 9.716 11.838 ( 12.418 1.147 3.794) 13.035 11.972 ( -5.893 -1.264 1.877) 6.312 12.094 ( -1.036 -2.583 0.842) 2.907 12.310 ( -7.865 -0.396 -2.560) 8.280 12.496 ( -1.547 -1.483 3.868) 4.422 12.634 ( 0.502 -0.541 3.189) 3.273 12.874 ( 1.900 -10.247 1.616) 10.546 13.003 ( -2.584 0.722 2.647) 3.769 13.261 ( 2.506 0.058 -4.548) 5.193 13.418 ( 0.744 -8.944 8.942) 12.670 13.526 ( -1.541 -4.743 1.099) 5.107 13.602 ( -1.244 -3.199 4.087) 5.337 13.729 ( -3.302 -2.425 -1.576) 4.390 14.054 ( -0.616 -0.343 -5.504) 5.549 14.282 ( -6.316 -9.349 4.551) 12.166 14.407 ( -3.816 -7.314 -3.149) 8.830 14.796 ( 4.051 -5.035 0.164) 6.464 15.278 ( 12.983 -2.915 -9.687) 16.459 15.370 ( 0.949 -1.334 -19.851) 19.919 15.762 ( -9.010 -2.429 -1.423) 9.440 16.121 ( -1.176 -8.353 1.832) 8.632 16.210 ( 6.773 -4.141 7.865) 11.175 16.502 ( -5.743 6.074 -2.381) 8.691 16.919 ( 3.663 14.540 5.090) 15.834 17.806 ( -1.629 -6.141 11.797) 13.400 18.023 ( 2.939 4.461 -7.632) 9.316 18.300 ( -2.124 0.916 1.925) 3.010 19.644 ( 0.332 0.558 -0.224) 0.687 20.557 ( -0.483 7.190 -14.335) 16.044 21.369 ( -2.237 -14.750 6.328) 16.205 21.761 ( -1.459 -16.684 5.003) 17.479 23.130 ( 1.455 10.273 16.699) 19.660 24.199 ( 18.066 3.480 -11.618) 21.759 ======================= Grid point 128 (60/130) ======================= q-point: (-0.10 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -13.527 25.985 6.590) 30.027 1.908 ( -14.772 28.173 17.629) 36.370 2.524 ( -4.403 6.186 -8.371) 11.302 2.871 ( -1.340 20.754 -0.107) 20.797 3.111 ( 3.765 5.170 2.040) 6.713 3.394 ( -11.207 26.813 8.651) 30.321 3.523 ( -3.888 -1.749 -4.118) 5.927 4.212 ( -4.773 -5.145 -5.810) 9.110 4.551 ( -1.478 -5.475 2.140) 6.061 4.687 ( 4.234 -5.192 -0.757) 6.742 5.104 ( 2.474 -1.551 0.141) 2.923 5.244 ( 0.649 -1.555 2.439) 2.964 5.315 ( -0.404 6.824 5.261) 8.626 5.496 ( -1.885 0.515 -4.791) 5.174 5.752 ( -2.186 5.364 -4.188) 7.148 5.814 ( -1.816 1.369 2.226) 3.182 5.880 ( 8.279 -0.745 1.308) 8.415 5.999 ( -0.221 6.918 0.306) 6.928 6.137 ( -1.726 -4.513 1.118) 4.960 6.239 ( -1.111 0.255 1.143) 1.614 6.333 ( -0.959 6.021 -1.415) 6.259 6.582 ( 4.344 4.145 0.166) 6.006 6.745 ( -4.467 7.130 0.357) 8.421 6.834 ( -1.547 5.313 0.852) 5.599 7.025 ( -1.437 0.384 -2.075) 2.553 7.095 ( -3.884 2.293 2.306) 5.066 7.354 ( 2.228 9.369 -5.050) 10.873 7.610 ( -0.676 -2.504 -3.940) 4.717 7.846 ( 2.120 10.159 -1.517) 10.489 7.987 ( 6.738 7.003 -1.846) 9.892 8.075 ( 2.248 1.316 4.851) 5.506 8.146 ( 0.104 -0.332 1.753) 1.787 8.339 ( 2.129 3.343 3.180) 5.082 8.413 ( -4.200 2.419 -6.458) 8.075 8.519 ( -2.906 2.859 -4.490) 6.064 8.728 ( -3.014 2.672 -0.371) 4.045 8.887 ( -0.857 5.347 4.915) 7.314 8.962 ( 0.311 2.040 -4.429) 4.886 9.096 ( 2.651 2.943 -0.236) 3.967 9.143 ( 3.170 -1.387 -1.190) 3.659 9.218 ( 9.043 2.550 -0.452) 9.407 9.402 ( -3.612 -1.182 -0.504) 3.834 9.493 ( 0.504 0.929 6.487) 6.573 9.677 ( -2.726 5.731 3.495) 7.245 9.722 ( 0.230 4.600 -4.865) 6.699 9.992 ( 3.988 0.624 -0.878) 4.131 10.163 ( 6.366 -0.346 0.449) 6.391 10.384 ( -1.955 -2.177 -0.756) 3.023 10.491 ( 3.658 -2.033 2.759) 5.013 10.611 ( 10.291 3.129 -1.296) 10.834 10.672 ( 3.990 -5.575 0.100) 6.857 10.881 ( 0.043 -0.245 -3.304) 3.313 11.162 ( 0.992 -5.184 3.514) 6.341 11.249 ( 7.988 -1.923 3.911) 9.099 11.475 ( -1.482 -1.510 0.071) 2.117 11.554 ( 0.016 -2.104 -6.169) 6.518 11.653 ( 10.916 -2.465 -1.889) 11.350 11.846 ( -3.741 -1.752 5.296) 6.717 12.016 ( 0.065 -0.238 5.617) 5.623 12.090 ( 0.160 4.466 -0.349) 4.482 12.175 ( -2.700 1.490 -2.789) 4.158 12.457 ( -3.265 -5.540 3.164) 7.167 12.676 ( 1.287 0.761 2.602) 3.001 12.891 ( 2.798 -8.128 -2.917) 9.078 12.951 ( -4.003 5.424 1.259) 6.858 13.286 ( -1.558 1.586 3.718) 4.332 13.370 ( -5.466 -9.055 5.900) 12.111 13.574 ( -3.044 -4.855 10.232) 11.727 13.644 ( 7.426 -4.316 -1.605) 8.738 13.700 ( 3.043 -1.039 -2.321) 3.965 14.006 ( -4.008 -3.700 -4.889) 7.325 14.195 ( -3.250 -3.945 3.345) 6.109 14.303 ( -5.568 -9.183 -2.893) 11.122 14.914 ( 8.572 -5.602 1.139) 10.303 15.293 ( 1.811 3.980 -26.092) 26.455 15.407 ( 0.204 -2.525 -9.304) 9.643 15.684 ( 2.743 -7.673 4.242) 9.187 16.097 ( -1.292 -7.541 0.808) 7.694 16.340 ( 2.400 -1.791 0.546) 3.043 16.396 ( -2.072 0.585 -1.805) 2.810 17.093 ( 12.174 9.812 4.720) 16.333 17.857 ( 0.244 -5.552 13.405) 14.512 17.934 ( -7.785 1.788 -7.659) 11.066 18.267 ( -2.079 0.749 1.665) 2.767 19.681 ( 3.347 7.685 0.649) 8.407 20.473 ( -1.811 11.011 -15.751) 19.303 21.368 ( -4.218 -20.283 15.431) 25.832 21.763 ( 2.707 -14.317 -2.859) 14.849 23.169 ( -5.733 7.996 19.757) 22.071 24.443 ( 12.677 0.563 -18.351) 22.311 ======================= Grid point 129 (61/130) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -0.086 17.566 3.937) 18.002 2.271 ( -4.848 20.744 8.059) 22.776 2.534 ( 1.245 3.296 -7.791) 8.551 3.042 ( -8.858 -4.866 3.590) 10.725 3.289 ( -5.787 10.615 -3.366) 12.550 3.396 ( 8.033 -3.757 -6.320) 10.890 3.843 ( -6.295 -10.244 -0.279) 12.027 4.073 ( 6.002 25.562 -7.240) 27.237 4.562 ( -0.068 8.153 5.342) 9.748 4.756 ( 2.979 -0.046 0.803) 3.085 5.135 ( 1.048 0.148 4.243) 4.373 5.190 ( 0.868 -1.913 9.250) 9.486 5.467 ( 1.172 -1.583 0.484) 2.029 5.525 ( -0.188 8.429 -1.020) 8.492 5.706 ( -5.772 -1.311 -6.777) 8.998 5.812 ( 2.297 -5.017 10.483) 11.847 5.893 ( -0.700 -0.339 -3.379) 3.467 6.058 ( -0.045 2.838 -2.511) 3.790 6.156 ( -0.453 6.911 -9.202) 11.517 6.282 ( 0.666 -0.494 11.064) 11.095 6.445 ( -0.644 5.754 -3.329) 6.679 6.682 ( -7.615 -0.557 1.785) 7.841 6.793 ( 8.465 2.831 -4.099) 9.822 6.933 ( 1.160 2.262 -2.150) 3.329 7.014 ( 1.672 6.561 6.727) 9.544 7.187 ( 1.986 0.758 1.101) 2.394 7.456 ( -0.934 2.841 -2.274) 3.757 7.535 ( -1.009 -1.530 -7.115) 7.347 7.963 ( -0.214 -1.913 3.138) 3.681 8.011 ( -1.460 -1.208 9.071) 9.267 8.128 ( 1.571 6.648 -0.248) 6.836 8.244 ( -1.363 2.775 3.258) 4.491 8.340 ( -2.936 1.514 0.106) 3.305 8.443 ( 0.323 -1.412 -4.082) 4.332 8.581 ( 4.751 4.126 -7.545) 9.825 8.772 ( 0.781 4.227 -3.208) 5.364 8.940 ( 0.094 2.746 5.440) 6.094 9.046 ( 2.110 1.663 -5.701) 6.302 9.093 ( -0.443 -3.597 -3.900) 5.324 9.171 ( -2.667 -0.342 3.837) 4.685 9.346 ( 1.714 -0.444 0.649) 1.886 9.387 ( -3.223 -1.867 6.122) 7.166 9.511 ( 3.888 13.490 -5.016) 14.908 9.730 ( -6.352 7.511 -3.814) 10.551 9.940 ( 1.716 5.476 -0.168) 5.741 10.048 ( -0.246 2.168 0.797) 2.323 10.260 ( -0.138 0.500 0.768) 0.927 10.286 ( 2.258 -4.579 -0.397) 5.121 10.434 ( 3.199 -5.533 -4.503) 7.818 10.566 ( -1.180 -2.864 5.588) 6.390 10.673 ( -0.719 -3.343 -3.060) 4.588 10.872 ( -1.506 -2.118 -1.228) 2.874 11.027 ( -2.510 -8.144 1.894) 8.729 11.350 ( -0.907 -0.979 4.801) 4.983 11.467 ( 2.696 0.564 -6.716) 7.258 11.558 ( 5.521 0.536 -3.674) 6.653 11.779 ( 3.376 1.588 5.815) 6.909 11.821 ( -0.161 -3.410 7.871) 8.580 12.006 ( -0.029 -1.397 11.238) 11.325 12.184 ( 0.958 0.990 1.399) 1.963 12.210 ( -2.274 -0.574 -2.474) 3.410 12.318 ( -4.430 8.797 -2.230) 10.099 12.621 ( 0.134 -5.234 -1.708) 5.508 12.870 ( -1.258 -4.015 -5.411) 6.855 13.042 ( 0.188 1.345 3.162) 3.442 13.234 ( 5.195 0.801 1.925) 5.598 13.298 ( -9.013 4.560 3.422) 10.665 13.438 ( -2.659 0.282 3.640) 4.516 13.636 ( -2.554 -9.536 -5.872) 11.487 13.682 ( 6.155 -6.075 0.086) 8.649 13.826 ( -0.367 -1.817 1.596) 2.446 13.986 ( -4.903 -7.868 -3.791) 10.016 14.149 ( 2.519 -2.641 5.368) 6.492 15.077 ( 2.784 3.405 3.831) 5.833 15.286 ( 5.043 0.848 -8.746) 10.131 15.316 ( -1.962 -0.347 -18.052) 18.162 15.502 ( 0.381 -12.242 -0.014) 12.248 16.010 ( 3.732 -3.757 -2.147) 5.714 16.343 ( 0.460 -0.756 -0.844) 1.223 16.381 ( 2.358 -0.202 -0.624) 2.447 17.343 ( 5.791 -0.250 1.935) 6.111 17.561 ( -20.320 -1.674 -1.105) 20.419 18.018 ( 11.030 0.128 8.102) 13.686 18.245 ( -1.958 0.312 0.591) 2.069 20.006 ( 2.700 12.730 6.371) 14.489 20.577 ( -4.160 1.499 -6.551) 7.904 20.983 ( -3.632 -6.642 7.561) 10.699 21.641 ( 12.182 -10.536 -9.599) 18.750 23.119 ( -16.990 2.078 19.826) 26.193 24.527 ( 6.388 -0.313 -16.591) 17.781 ======================= Grid point 130 (62/130) ======================= q-point: ( 0.10 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 10.191 18.226 2.423) 21.022 2.318 ( 8.099 15.429 5.867) 18.387 2.598 ( 6.689 4.693 -6.280) 10.305 2.858 ( -7.287 2.747 3.225) 8.429 3.167 ( -3.038 7.235 -4.083) 8.846 3.576 ( 6.015 -4.124 0.773) 7.333 3.656 ( -5.656 -15.879 -4.041) 17.333 4.205 ( 8.389 19.524 -8.854) 23.021 4.600 ( 2.247 5.570 3.235) 6.822 4.729 ( -6.893 -0.621 2.966) 7.530 5.187 ( 2.010 1.024 5.626) 6.062 5.234 ( -1.408 1.473 13.913) 14.061 5.491 ( -2.562 0.968 3.196) 4.209 5.500 ( 1.553 4.049 -1.850) 4.714 5.592 ( -0.749 -0.158 -10.265) 10.294 5.848 ( -1.082 1.488 3.239) 3.725 5.929 ( -1.421 -0.948 3.663) 4.042 5.957 ( -0.420 0.613 -5.950) 5.996 6.142 ( -0.427 11.761 -7.751) 14.092 6.366 ( 2.858 -3.665 8.166) 9.396 6.475 ( 3.864 2.576 -2.015) 5.062 6.577 ( -1.447 0.079 -3.819) 4.085 6.883 ( 1.563 6.788 -1.827) 7.201 6.955 ( 1.185 4.004 3.013) 5.149 7.130 ( 6.653 2.848 3.785) 8.167 7.211 ( 0.385 1.336 2.293) 2.681 7.451 ( 1.680 0.786 -4.222) 4.612 7.515 ( 2.589 0.549 -5.548) 6.147 7.925 ( -3.841 2.259 -1.612) 4.738 8.038 ( 0.744 1.562 7.377) 7.577 8.154 ( -1.526 2.868 2.919) 4.368 8.217 ( -5.560 0.308 2.231) 5.999 8.307 ( 4.367 3.074 0.983) 5.430 8.486 ( 5.399 3.646 -4.772) 8.076 8.624 ( 1.393 2.373 -2.922) 4.013 8.810 ( 3.683 2.035 -0.221) 4.213 8.955 ( -1.941 5.812 3.689) 7.152 9.018 ( -0.736 2.956 -0.334) 3.064 9.060 ( -1.127 -3.427 -10.575) 11.174 9.147 ( -1.160 0.963 0.174) 1.517 9.297 ( -3.444 -1.532 3.191) 4.939 9.451 ( 2.244 2.690 6.374) 7.273 9.514 ( -2.306 6.163 -8.559) 10.796 9.629 ( -1.236 9.561 0.840) 9.677 9.927 ( -1.924 5.459 -0.532) 5.812 10.038 ( -0.786 0.214 -0.149) 0.828 10.196 ( -2.974 -2.438 -1.620) 4.173 10.323 ( -4.342 -1.234 -3.319) 5.603 10.455 ( -4.103 -7.089 2.437) 8.545 10.479 ( 0.452 1.789 -1.359) 2.292 10.751 ( 4.241 -0.660 7.422) 8.573 10.830 ( -1.133 -4.144 -2.096) 4.780 10.938 ( -7.160 -9.703 1.647) 12.171 11.276 ( -6.032 -1.708 -0.533) 6.292 11.390 ( -7.118 -0.845 -5.574) 9.081 11.590 ( -4.029 -2.199 -2.728) 5.340 11.864 ( 1.538 -2.438 7.587) 8.116 11.885 ( 3.756 2.254 9.833) 10.765 12.015 ( -6.548 1.648 2.485) 7.195 12.117 ( -3.381 -2.119 2.212) 4.562 12.232 ( -2.635 9.334 -3.457) 10.296 12.272 ( 8.286 -0.591 2.784) 8.762 12.553 ( -6.521 -7.082 -1.810) 9.795 12.845 ( 1.698 -7.603 -5.766) 9.692 13.055 ( -0.264 1.584 0.995) 1.890 13.143 ( -8.788 2.657 6.847) 11.453 13.368 ( 4.315 -2.877 -0.498) 5.210 13.398 ( -0.228 6.529 2.320) 6.933 13.552 ( -3.152 -9.521 -4.222) 10.881 13.682 ( -5.308 -3.130 1.115) 6.262 13.880 ( 5.276 -3.312 0.054) 6.229 13.975 ( 4.291 -10.212 -4.169) 11.835 14.238 ( 4.699 -1.077 3.631) 6.035 15.000 ( -7.394 3.035 3.540) 8.741 15.200 ( -2.864 -3.260 -16.454) 17.016 15.440 ( 3.207 -7.004 -5.086) 9.231 15.552 ( 11.111 -3.467 1.626) 11.753 16.098 ( 6.648 -2.637 -4.428) 8.412 16.277 ( -5.991 -0.564 -0.529) 6.041 16.475 ( 5.541 0.420 -2.594) 6.133 17.219 ( -12.910 -2.014 0.571) 13.079 17.410 ( -1.418 -0.907 6.836) 7.040 18.213 ( -0.173 0.494 -0.644) 0.830 18.254 ( 8.990 1.455 4.389) 10.109 20.016 ( -3.134 11.800 6.218) 13.702 20.472 ( -4.074 -4.603 -6.806) 9.171 20.975 ( 0.668 0.252 3.679) 3.748 21.828 ( 8.792 -7.960 -2.513) 12.123 22.883 ( -13.071 0.422 11.515) 17.425 24.509 ( -2.602 1.697 -11.570) 11.979 ======================= Grid point 131 (63/130) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -0.730 8.349 1.230) 8.471 2.529 ( 6.711 17.893 0.031) 19.110 2.697 ( 6.787 10.123 3.588) 12.705 2.946 ( 15.743 7.705 1.459) 17.588 3.225 ( 9.345 5.661 1.875) 11.085 3.442 ( -7.595 -15.569 0.888) 17.345 3.810 ( 10.747 -10.240 -3.519) 15.256 4.291 ( 5.748 8.514 -10.546) 14.722 4.563 ( -10.162 -1.527 1.105) 10.335 4.675 ( 4.526 4.276 1.976) 6.533 5.209 ( -3.745 2.382 10.531) 11.429 5.263 ( 1.152 1.800 7.976) 8.258 5.404 ( -5.647 0.703 3.077) 6.470 5.559 ( 3.240 0.909 -0.303) 3.378 5.598 ( 2.860 2.339 -7.789) 8.620 5.804 ( -2.599 -5.100 -1.978) 6.056 5.892 ( 0.884 3.756 -4.979) 6.300 5.999 ( 2.286 9.500 -1.523) 9.890 6.102 ( -0.055 4.134 -1.728) 4.481 6.417 ( -6.752 1.200 0.856) 6.910 6.457 ( 4.143 -1.942 4.981) 6.764 6.691 ( 10.694 5.336 -6.689) 13.696 6.870 ( -2.236 8.882 -0.085) 9.159 6.971 ( -0.654 2.107 2.001) 2.978 7.165 ( -1.572 -1.513 0.841) 2.338 7.300 ( 6.327 5.390 2.715) 8.744 7.492 ( 4.552 2.439 -5.844) 7.799 7.584 ( 5.077 -0.320 -2.129) 5.515 7.828 ( -5.093 3.564 -3.794) 7.282 8.027 ( -5.394 6.055 3.445) 8.811 8.093 ( -5.313 4.595 -0.461) 7.040 8.190 ( 2.256 -1.753 9.325) 9.753 8.390 ( 2.120 7.567 1.311) 7.967 8.594 ( 6.935 4.724 -3.127) 8.955 8.625 ( -0.048 1.723 0.625) 1.834 8.871 ( 0.005 -0.510 -1.434) 1.522 8.891 ( -2.875 1.752 0.043) 3.367 8.976 ( -1.637 4.891 -7.409) 9.027 9.022 ( -1.905 2.566 1.503) 3.531 9.130 ( 0.317 5.518 -0.428) 5.544 9.281 ( -0.690 0.768 2.081) 2.323 9.365 ( -4.171 0.454 -5.976) 7.301 9.529 ( 0.156 10.070 2.083) 10.285 9.628 ( -0.897 3.990 1.266) 4.281 9.891 ( -1.612 3.305 -0.913) 3.789 10.000 ( -3.965 1.252 -0.683) 4.214 10.131 ( -8.595 0.465 -5.270) 10.092 10.181 ( 0.060 -3.874 1.048) 4.014 10.419 ( -3.474 -3.151 4.313) 6.372 10.447 ( -3.382 -3.867 2.249) 5.609 10.707 ( -11.918 -5.915 0.669) 13.322 10.818 ( 0.556 -2.404 4.663) 5.275 10.902 ( 1.472 0.514 0.976) 1.839 11.143 ( -7.220 -1.768 -1.674) 7.620 11.257 ( -2.846 -4.412 -4.874) 7.164 11.436 ( -11.100 -5.390 0.909) 12.373 11.738 ( -12.393 0.952 -2.160) 12.615 11.884 ( -5.538 4.259 2.135) 7.305 11.956 ( -2.516 -4.072 5.223) 7.084 12.159 ( 1.114 1.340 5.006) 5.300 12.213 ( 5.399 2.102 -4.408) 7.280 12.397 ( -6.762 -5.252 -1.266) 8.655 12.491 ( 10.928 -2.094 5.542) 12.431 12.883 ( 3.522 -7.098 -5.719) 9.772 13.027 ( -4.321 2.240 4.674) 6.748 13.041 ( -3.063 1.214 4.998) 5.986 13.312 ( -4.496 -1.414 1.180) 4.858 13.471 ( 0.534 -2.554 2.653) 3.721 13.515 ( 0.370 -7.633 -5.614) 9.483 13.592 ( -2.484 -1.336 -1.406) 3.152 13.983 ( 5.556 -3.940 -0.770) 6.855 14.061 ( 5.920 -8.055 -3.863) 10.717 14.337 ( 4.424 -1.155 1.380) 4.776 14.886 ( -6.609 1.678 3.262) 7.559 15.099 ( -1.090 -2.465 -12.460) 12.749 15.446 ( 0.518 -12.025 1.420) 12.120 15.763 ( 7.149 0.241 -7.913) 10.667 16.181 ( -2.365 1.573 8.340) 8.811 16.196 ( 3.460 -2.596 -2.025) 4.776 16.519 ( 3.297 -0.294 -9.060) 9.646 17.140 ( 2.771 0.183 3.122) 4.178 17.345 ( -7.996 0.272 8.084) 11.374 18.210 ( 1.091 0.001 -2.665) 2.880 18.382 ( 2.153 3.174 2.962) 4.846 19.954 ( -6.596 8.819 8.320) 13.803 20.402 ( 1.143 -7.414 -11.253) 13.524 21.030 ( 3.542 2.112 3.071) 5.142 21.925 ( 1.018 -4.695 5.840) 7.562 22.742 ( -4.973 -0.641 2.158) 5.459 24.349 ( -10.247 2.393 -6.757) 12.505 ======================= Grid point 132 (64/130) ======================= q-point: ( 0.30 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -0.749 3.864 3.750) 5.436 2.598 ( 3.821 12.237 -0.278) 12.822 2.917 ( 12.977 9.593 4.952) 16.881 3.232 ( 7.921 9.575 4.673) 13.277 3.353 ( -1.360 -12.680 0.208) 12.754 3.477 ( 13.853 4.054 4.462) 15.108 3.947 ( 5.117 -2.753 -6.227) 8.517 4.376 ( -0.257 -3.329 -12.607) 13.041 4.409 ( 2.400 -1.936 3.500) 4.665 4.772 ( 4.552 4.749 1.096) 6.669 5.175 ( -1.704 -1.054 5.413) 5.772 5.320 ( 2.496 5.625 1.116) 6.254 5.359 ( -0.287 0.416 9.730) 9.743 5.587 ( 0.808 2.270 -4.600) 5.193 5.605 ( 0.338 2.413 -4.402) 5.031 5.775 ( 0.365 -8.059 0.161) 8.069 5.865 ( -2.492 5.828 -2.441) 6.792 6.066 ( 5.513 5.397 -3.496) 8.470 6.127 ( 1.464 1.926 0.897) 2.580 6.286 ( -6.028 -0.917 -2.311) 6.521 6.544 ( 3.027 1.518 2.841) 4.420 6.775 ( -2.834 7.089 -3.529) 8.411 6.825 ( -1.966 8.214 5.381) 10.015 6.981 ( 3.995 0.313 -5.463) 6.775 7.184 ( 3.648 0.781 0.025) 3.731 7.393 ( 2.006 5.209 2.464) 6.101 7.542 ( 1.016 1.980 -2.723) 3.517 7.659 ( 3.738 -2.720 -2.301) 5.164 7.716 ( -3.889 3.301 -6.518) 8.277 7.923 ( -6.793 9.601 4.577) 12.621 7.994 ( -4.476 8.323 0.767) 9.481 8.256 ( 0.020 2.905 3.808) 4.790 8.407 ( -0.237 10.925 4.043) 11.651 8.634 ( 0.503 1.993 0.413) 2.097 8.689 ( 3.755 3.798 -1.088) 5.451 8.796 ( -3.995 -1.200 -2.583) 4.907 8.869 ( 2.203 2.348 -3.897) 5.055 8.957 ( -1.857 5.369 -1.317) 5.832 9.011 ( 1.604 5.931 -0.044) 6.144 9.123 ( -0.878 1.192 1.615) 2.190 9.262 ( -1.097 7.364 -1.468) 7.588 9.327 ( 0.126 -1.530 -3.546) 3.864 9.506 ( -2.909 6.965 3.513) 8.325 9.581 ( -3.998 4.720 -1.572) 6.382 9.815 ( -8.574 4.906 -1.608) 10.008 9.892 ( -1.971 5.537 -0.655) 5.914 10.019 ( -3.491 -1.817 -1.423) 4.185 10.183 ( -0.905 -3.633 3.986) 5.469 10.357 ( -5.309 -3.994 3.201) 7.375 10.404 ( -5.129 -8.448 1.223) 9.958 10.498 ( -5.358 -4.877 0.555) 7.266 10.811 ( -4.855 1.739 3.979) 6.514 10.901 ( 0.534 -0.231 -1.632) 1.733 11.051 ( -1.678 -1.473 -0.449) 2.278 11.131 ( -15.555 -3.644 -0.299) 15.978 11.279 ( 0.468 -6.630 -2.011) 6.944 11.549 ( -6.954 1.337 0.146) 7.083 11.787 ( -4.978 1.920 0.212) 5.339 11.900 ( -3.534 -4.785 3.418) 6.860 12.115 ( -5.064 -5.836 0.851) 7.774 12.314 ( 3.119 3.279 1.665) 4.822 12.366 ( 4.399 -0.217 -3.224) 5.458 12.708 ( 8.545 -2.511 4.476) 9.968 12.862 ( -2.940 0.758 1.274) 3.293 12.995 ( -1.021 0.929 5.190) 5.371 13.091 ( 6.302 -3.587 2.382) 7.633 13.231 ( -4.584 -4.502 0.581) 6.452 13.405 ( -6.155 -7.638 -1.984) 10.008 13.518 ( 2.934 -1.592 -4.240) 5.396 13.588 ( 0.667 -5.954 -2.056) 6.334 14.075 ( 4.512 -5.016 -1.713) 6.961 14.156 ( 5.524 -4.200 -3.887) 7.953 14.404 ( 2.473 -2.184 -1.088) 3.474 14.752 ( -8.794 -0.195 2.351) 9.105 15.088 ( 4.325 -1.651 -10.707) 11.665 15.473 ( -0.100 -9.309 6.691) 11.465 15.700 ( -6.002 -1.818 -11.788) 13.352 16.192 ( -3.075 -4.166 2.691) 5.836 16.293 ( 6.950 2.907 11.685) 13.903 16.616 ( 10.770 1.768 -10.030) 14.823 17.201 ( -8.563 1.160 3.568) 9.349 17.262 ( 7.076 2.924 2.192) 7.964 18.235 ( 2.536 0.100 -2.731) 3.729 18.358 ( -5.583 3.606 4.202) 7.863 19.846 ( -7.990 5.542 10.017) 13.960 20.420 ( 5.332 -7.985 -15.159) 17.944 21.127 ( 5.280 1.036 3.788) 6.580 21.922 ( -3.704 -2.847 6.475) 7.984 22.698 ( -0.481 -0.619 0.974) 1.250 24.098 ( -13.348 2.082 -4.495) 14.238 ======================= Grid point 133 (65/130) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 3.110 0.234 7.695) 8.303 2.704 ( 7.047 5.335 1.075) 8.904 3.152 ( 7.482 4.987 1.063) 9.055 3.237 ( -3.211 -1.200 -0.143) 3.431 3.366 ( -1.113 5.089 3.928) 6.524 3.713 ( 8.119 1.335 6.996) 10.801 3.978 ( 3.020 6.527 -8.727) 11.308 4.258 ( -5.537 -6.823 -0.193) 8.789 4.556 ( 5.890 -3.926 -3.873) 8.069 4.842 ( 3.855 9.037 -0.867) 9.863 5.231 ( 5.463 1.062 1.491) 5.761 5.375 ( 4.314 7.558 -1.499) 8.830 5.468 ( 6.390 -2.104 10.678) 12.621 5.530 ( -4.776 2.792 -3.851) 6.741 5.626 ( 3.956 -2.057 -3.342) 5.572 5.783 ( -4.326 5.074 1.821) 6.912 5.833 ( 3.583 -6.923 -0.009) 7.795 6.079 ( -3.242 -1.521 -4.760) 5.957 6.155 ( 1.514 4.429 3.197) 5.669 6.220 ( -0.170 -2.469 -5.484) 6.017 6.578 ( -0.009 4.949 -1.394) 5.142 6.680 ( -5.152 6.139 1.290) 8.118 6.784 ( -4.066 2.067 7.151) 8.482 7.050 ( 4.279 2.171 -5.307) 7.155 7.259 ( 3.089 5.641 0.273) 6.437 7.402 ( -1.035 0.204 -2.124) 2.371 7.494 ( -2.203 -0.728 -0.541) 2.382 7.657 ( -0.966 2.128 -5.545) 6.017 7.717 ( 3.481 -0.941 -2.617) 4.455 7.794 ( -8.424 9.757 2.404) 13.113 7.963 ( 0.645 13.055 1.985) 13.221 8.222 ( -3.241 4.441 0.685) 5.540 8.428 ( 0.449 13.188 2.888) 13.507 8.650 ( 1.320 2.931 0.408) 3.241 8.694 ( -2.862 1.657 -6.552) 7.339 8.767 ( 2.065 0.044 2.403) 3.169 8.887 ( -0.465 3.198 -4.090) 5.213 8.961 ( 2.621 3.815 -0.468) 4.652 9.047 ( 3.544 7.441 -1.094) 8.314 9.120 ( -2.675 0.194 5.411) 6.039 9.220 ( 0.567 1.185 -3.293) 3.546 9.325 ( -0.353 10.163 -0.087) 10.170 9.439 ( -6.104 9.406 3.608) 11.779 9.524 ( -0.119 2.754 1.138) 2.982 9.681 ( -4.220 4.705 1.692) 6.542 9.884 ( 1.433 4.780 -3.180) 5.917 9.963 ( -2.376 -1.820 -0.165) 2.997 10.203 ( 0.792 -6.163 4.613) 7.739 10.219 ( -8.197 -6.287 0.657) 10.351 10.282 ( -5.743 -2.012 0.939) 6.157 10.475 ( -1.680 -5.692 -6.209) 8.589 10.734 ( -3.014 -2.180 2.896) 4.714 10.809 ( -10.620 -2.844 -0.067) 10.995 10.943 ( -1.401 -3.512 1.439) 4.046 11.059 ( 1.001 0.645 4.330) 4.491 11.299 ( 1.196 -2.002 -2.613) 3.502 11.450 ( -3.755 2.839 -0.039) 4.708 11.707 ( -2.440 -0.477 -2.994) 3.892 11.874 ( -1.662 -5.259 7.024) 8.930 12.057 ( -0.997 -6.889 1.476) 7.115 12.369 ( 2.201 6.625 1.555) 7.152 12.429 ( 2.440 -1.062 0.174) 2.666 12.744 ( -2.392 0.558 -1.140) 2.708 12.912 ( 2.973 -2.539 6.052) 7.205 13.018 ( -0.864 -2.142 5.830) 6.271 13.108 ( -4.305 -3.051 -0.790) 5.335 13.261 ( 6.076 -5.911 1.618) 8.629 13.327 ( 1.801 -2.612 -4.067) 5.158 13.546 ( 0.315 -7.056 -3.068) 7.701 13.594 ( 2.186 -6.202 -2.726) 7.118 14.135 ( 2.959 -6.194 -2.887) 7.447 14.223 ( 3.061 -1.431 -4.670) 5.764 14.416 ( -0.227 -3.831 -3.943) 5.502 14.601 ( -7.408 -0.203 2.992) 7.991 15.150 ( 6.375 -3.133 -12.780) 14.621 15.408 ( -8.995 -2.131 0.411) 9.253 15.617 ( 1.075 -5.377 0.918) 5.559 16.140 ( -3.525 -5.244 3.881) 7.415 16.424 ( 1.488 2.021 7.499) 7.908 16.803 ( 11.426 4.880 -5.649) 13.649 17.082 ( -4.602 2.543 2.944) 6.026 17.398 ( 7.589 3.823 -3.783) 9.302 18.221 ( -9.472 2.980 7.430) 12.401 18.286 ( 2.255 -0.222 -1.736) 2.854 19.749 ( -5.887 3.372 8.386) 10.786 20.462 ( 5.262 -7.044 -15.224) 17.581 21.246 ( 5.185 -1.107 4.964) 7.263 21.842 ( -6.294 -2.172 1.566) 6.840 22.735 ( 3.039 0.251 6.013) 6.742 23.848 ( -10.510 1.210 -5.164) 11.773 ======================= Grid point 134 (66/130) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 3.270 1.557 13.319) 13.802 2.833 ( 3.467 -1.401 3.237) 4.946 3.056 ( -5.482 -0.286 -10.071) 11.470 3.272 ( -3.113 7.118 -1.341) 7.883 3.343 ( -0.037 8.220 5.388) 9.828 3.825 ( 0.246 0.951 7.333) 7.398 4.026 ( 4.119 0.021 -4.934) 6.427 4.174 ( -2.724 1.032 0.102) 2.915 4.573 ( -0.719 -3.629 -1.826) 4.126 4.920 ( 3.745 9.327 -2.586) 10.378 5.296 ( 0.215 3.220 -1.307) 3.482 5.387 ( -9.108 0.836 -0.681) 9.171 5.496 ( 7.879 6.666 -0.889) 10.359 5.564 ( -0.923 -2.114 2.712) 3.561 5.663 ( -6.083 2.278 6.461) 9.162 5.780 ( 8.324 0.806 -1.658) 8.526 5.911 ( 3.471 -5.002 4.078) 7.328 6.048 ( 3.973 -1.978 -7.283) 8.528 6.158 ( -3.545 0.080 -2.521) 4.351 6.186 ( 0.487 -1.049 -0.004) 1.157 6.528 ( -3.419 6.785 -0.971) 7.660 6.629 ( -1.222 4.655 0.947) 4.905 6.750 ( -2.134 -1.089 5.428) 5.933 7.065 ( -1.516 1.204 -0.663) 2.047 7.327 ( 5.735 8.259 -1.524) 10.170 7.358 ( -0.917 -2.077 -3.815) 4.440 7.503 ( 1.051 -0.865 -3.556) 3.808 7.627 ( 0.193 1.684 -3.894) 4.247 7.658 ( -5.412 8.911 1.897) 10.598 7.764 ( 2.228 0.784 -1.402) 2.746 8.016 ( 3.491 14.639 3.359) 15.420 8.172 ( -1.819 5.380 -0.218) 5.683 8.414 ( -2.646 9.617 0.429) 9.983 8.600 ( -3.324 -1.584 -5.882) 6.939 8.699 ( 3.625 4.622 -2.560) 6.408 8.825 ( 3.565 1.533 -2.171) 4.447 8.834 ( -4.152 1.186 4.409) 6.171 9.011 ( 2.100 5.643 -0.832) 6.078 9.067 ( -2.700 5.618 0.477) 6.251 9.114 ( 2.580 6.052 -1.569) 6.764 9.279 ( 2.745 5.671 2.255) 6.692 9.327 ( 1.603 12.228 0.879) 12.364 9.361 ( -1.160 6.713 4.433) 8.128 9.573 ( 3.703 4.479 3.967) 7.037 9.670 ( 0.772 1.437 6.763) 6.957 9.907 ( -3.127 0.366 -3.018) 4.361 9.926 ( 4.358 0.657 -4.581) 6.357 10.091 ( -4.935 -4.831 -0.090) 6.906 10.196 ( -1.787 -3.998 -1.704) 4.699 10.246 ( 0.867 -5.672 2.970) 6.461 10.349 ( -6.963 -8.192 -6.679) 12.657 10.701 ( -1.486 -4.320 -3.285) 5.626 10.749 ( 2.759 -1.745 7.519) 8.198 10.948 ( 1.490 -2.186 1.589) 3.086 11.086 ( -0.644 4.515 5.001) 6.768 11.305 ( 1.264 -0.384 -3.057) 3.330 11.412 ( -0.283 0.914 -0.113) 0.963 11.682 ( 0.755 -2.556 -3.959) 4.772 11.886 ( -0.474 -3.773 8.899) 9.678 12.067 ( 0.652 -5.477 2.191) 5.934 12.411 ( 0.732 6.773 4.332) 8.073 12.473 ( 2.624 -0.309 2.920) 3.938 12.686 ( -2.618 0.377 -4.276) 5.027 12.876 ( -7.112 1.004 -0.378) 7.193 13.006 ( 0.609 -11.387 3.497) 11.927 13.084 ( -0.930 -2.359 -0.082) 2.537 13.310 ( 1.691 -4.055 1.569) 4.666 13.425 ( 2.021 -0.525 0.739) 2.215 13.546 ( 2.615 -9.069 1.895) 9.627 13.642 ( 3.551 -6.358 -5.065) 8.871 14.179 ( 3.353 -6.988 -3.327) 8.435 14.229 ( -0.019 0.324 -6.003) 6.012 14.367 ( -2.510 -3.580 -4.987) 6.632 14.525 ( -1.541 -1.922 1.901) 3.112 15.163 ( -3.740 -0.337 -8.473) 9.268 15.284 ( 1.981 -5.183 -9.859) 11.313 15.671 ( 1.929 -3.281 7.548) 8.454 16.090 ( -3.590 -5.810 4.376) 8.111 16.392 ( -6.038 0.923 1.900) 6.397 16.975 ( 7.517 8.534 0.420) 11.380 17.039 ( -2.766 4.178 3.142) 5.914 17.534 ( 10.229 2.350 -9.312) 14.031 18.056 ( -10.929 1.129 10.407) 15.134 18.325 ( 1.883 0.026 -0.376) 1.921 19.689 ( -3.746 1.630 6.289) 7.499 20.506 ( 5.646 -4.588 -13.800) 15.600 21.338 ( 1.438 -3.762 7.474) 8.490 21.715 ( -6.319 -2.479 -3.334) 7.563 22.855 ( 5.861 2.316 11.504) 13.117 23.697 ( -2.121 0.121 -8.120) 8.393 ======================= Grid point 135 (67/130) ======================= q-point: (-0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 1.396 8.871 16.735) 18.992 2.778 ( -6.497 5.690 1.181) 8.716 2.996 ( -2.815 4.933 -3.880) 6.878 3.173 ( -3.759 3.210 -1.872) 5.286 3.365 ( 0.978 0.430 1.089) 1.525 3.754 ( -10.034 4.798 4.574) 12.026 4.040 ( -0.773 -0.193 -2.337) 2.469 4.188 ( 2.687 -3.282 -0.189) 4.246 4.561 ( 0.359 -1.200 -4.008) 4.199 4.926 ( -2.658 4.471 -2.244) 5.665 5.190 ( -9.192 -5.795 1.024) 10.914 5.228 ( -8.233 4.338 1.960) 9.510 5.502 ( -4.595 1.031 -0.166) 4.712 5.578 ( 0.130 2.032 0.665) 2.142 5.632 ( 2.401 4.221 1.257) 5.016 5.898 ( 5.304 5.330 -0.213) 7.522 5.987 ( -1.678 -2.135 7.790) 8.250 6.047 ( -0.976 1.260 -3.035) 3.428 6.097 ( 0.493 2.470 -4.536) 5.188 6.280 ( 8.616 -2.923 -4.056) 9.961 6.482 ( -1.553 4.052 0.659) 4.390 6.607 ( -1.810 4.333 -0.306) 4.706 6.746 ( 0.481 -3.103 2.270) 3.875 7.029 ( -1.307 1.716 -0.590) 2.236 7.316 ( -3.082 0.995 -4.061) 5.194 7.444 ( 3.893 5.926 2.076) 7.388 7.470 ( -0.661 -0.563 -4.298) 4.384 7.604 ( -0.228 7.190 -1.752) 7.404 7.673 ( 5.133 4.852 -2.623) 7.535 7.796 ( 2.206 1.483 -0.749) 2.761 8.096 ( 2.895 12.686 2.244) 13.205 8.160 ( 0.597 7.398 1.381) 7.549 8.367 ( -2.256 6.015 3.270) 7.209 8.537 ( -1.205 -1.414 -5.200) 5.522 8.748 ( 1.198 4.463 2.014) 5.041 8.796 ( 0.116 -0.280 1.038) 1.081 8.864 ( 0.919 0.186 -3.363) 3.491 8.975 ( -2.509 10.366 -1.359) 10.751 9.084 ( 0.424 5.428 0.594) 5.477 9.127 ( 1.419 4.981 -3.112) 6.042 9.263 ( -0.883 10.736 -0.411) 10.780 9.375 ( 1.558 4.382 1.608) 4.921 9.476 ( 6.634 7.644 4.203) 10.959 9.671 ( 2.776 3.748 2.522) 5.302 9.739 ( 3.669 0.379 10.249) 10.893 9.840 ( -1.078 2.938 -2.179) 3.813 9.989 ( 5.321 -2.653 -2.061) 6.292 10.083 ( 2.607 -6.972 -4.958) 8.943 10.144 ( -4.571 -8.866 -4.200) 10.823 10.242 ( 6.050 1.072 -3.155) 6.907 10.329 ( 2.527 -6.145 7.752) 10.210 10.657 ( -1.552 -5.152 -6.076) 8.116 10.891 ( 9.210 -1.968 3.234) 9.958 11.020 ( 4.446 -1.000 5.018) 6.779 11.071 ( -2.306 6.085 0.832) 6.560 11.325 ( 1.355 -3.510 -1.549) 4.069 11.446 ( 4.394 1.018 1.386) 4.718 11.681 ( 0.464 -1.937 -4.405) 4.834 11.913 ( -0.105 -3.701 7.048) 7.961 12.087 ( 0.358 -2.883 2.310) 3.712 12.415 ( -1.587 1.933 4.436) 5.092 12.569 ( 2.618 1.696 6.393) 7.113 12.625 ( 0.226 -0.597 -4.655) 4.699 12.744 ( -5.744 -1.199 -3.142) 6.656 12.973 ( -5.070 -4.601 1.166) 6.945 13.103 ( 3.754 -4.042 -0.387) 5.530 13.322 ( -2.425 -3.928 3.255) 5.649 13.430 ( 1.000 -6.353 2.760) 6.999 13.617 ( 1.043 -4.115 1.779) 4.603 13.660 ( 0.843 -5.925 -3.339) 6.853 14.163 ( -2.308 -0.868 -6.204) 6.676 14.238 ( -0.191 -6.231 -0.837) 6.290 14.322 ( 0.849 -3.249 -6.065) 6.933 14.565 ( 5.812 -2.457 0.856) 6.368 15.040 ( -4.897 1.261 -2.477) 5.631 15.326 ( 6.222 -6.970 -18.683) 20.889 15.741 ( 2.607 -2.474 7.265) 8.106 16.038 ( -3.695 -6.116 4.451) 8.418 16.250 ( -8.698 0.699 -0.272) 8.730 16.955 ( -7.561 6.878 3.033) 10.662 17.082 ( 3.214 8.694 2.428) 9.582 17.710 ( 10.646 -0.121 -8.643) 13.713 17.914 ( -6.623 0.367 8.705) 10.944 18.347 ( 0.202 0.244 1.168) 1.210 19.651 ( -2.532 0.019 4.236) 4.935 20.574 ( 6.705 -1.006 -11.360) 13.230 21.339 ( -4.956 -5.658 9.820) 12.370 21.598 ( -4.076 -4.554 -5.124) 7.975 23.028 ( 6.748 5.448 14.849) 17.196 23.721 ( 8.672 -1.186 -11.357) 14.339 ======================= Grid point 136 (68/130) ======================= q-point: (-0.30 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -1.886 18.746 9.676) 21.180 2.702 ( -3.433 12.174 5.353) 13.735 2.875 ( -5.792 12.835 3.706) 14.561 3.105 ( -4.526 3.283 -2.435) 6.098 3.359 ( -7.005 -3.220 2.675) 8.160 3.551 ( -8.205 1.221 3.714) 9.089 4.013 ( -0.313 -5.312 -6.036) 8.047 4.191 ( -2.785 -8.149 -2.139) 8.874 4.537 ( -1.055 3.456 -3.071) 4.742 4.814 ( -6.429 2.153 -2.233) 7.138 5.057 ( -5.431 -0.959 3.369) 6.463 5.150 ( -0.066 -4.125 4.869) 6.382 5.413 ( -4.456 4.344 -0.751) 6.268 5.567 ( -2.567 -1.853 -0.855) 3.280 5.685 ( 4.804 4.230 -1.056) 6.488 5.909 ( -4.960 -0.688 2.966) 5.820 5.935 ( -3.705 3.916 -2.752) 6.053 6.057 ( 5.346 7.750 -0.926) 9.461 6.168 ( 3.573 4.036 -0.415) 5.406 6.368 ( 1.145 -1.581 -1.560) 2.499 6.468 ( -0.291 2.132 0.549) 2.221 6.562 ( -1.458 5.777 0.497) 5.979 6.797 ( 4.766 -5.146 -3.838) 7.996 7.007 ( -1.596 3.217 -0.080) 3.592 7.204 ( -6.987 6.774 -1.371) 9.828 7.407 ( -7.514 1.063 4.019) 8.587 7.466 ( 1.612 -2.759 -6.586) 7.320 7.631 ( 2.317 8.212 -2.163) 8.803 7.793 ( 7.389 5.276 -1.929) 9.282 7.866 ( 6.119 1.982 -1.308) 6.564 8.113 ( -1.181 4.905 -0.892) 5.123 8.203 ( 1.180 11.415 8.438) 14.245 8.355 ( -0.885 4.615 4.050) 6.203 8.511 ( -0.051 -0.007 -2.928) 2.928 8.771 ( 0.114 2.693 0.909) 2.844 8.829 ( -1.979 -1.762 0.299) 2.667 8.851 ( 4.446 1.367 -1.716) 4.958 8.949 ( 0.000 8.181 -1.642) 8.344 9.038 ( -2.953 3.021 -4.472) 6.152 9.168 ( 2.502 3.802 -0.196) 4.555 9.281 ( 3.123 12.753 -2.696) 13.403 9.383 ( -1.231 -0.622 4.532) 4.737 9.544 ( -0.583 5.046 -4.252) 6.624 9.691 ( 2.085 6.214 6.924) 9.534 9.850 ( 3.328 2.495 1.266) 4.348 9.894 ( 4.532 0.025 1.274) 4.707 9.970 ( -2.838 -6.644 -8.857) 11.430 10.150 ( 8.302 -5.516 -0.127) 9.969 10.261 ( 11.726 2.445 4.373) 12.752 10.376 ( 5.389 2.360 7.341) 9.407 10.461 ( 10.161 -5.845 1.910) 11.876 10.610 ( -0.005 -6.216 -6.586) 9.057 10.971 ( -5.601 -1.719 -2.902) 6.538 11.100 ( 8.893 0.433 -0.622) 8.926 11.136 ( 6.747 -0.247 4.050) 7.873 11.343 ( 1.399 -6.771 -0.401) 6.925 11.596 ( 8.040 2.824 0.545) 8.539 11.675 ( 2.903 1.433 -2.201) 3.915 11.937 ( 0.281 -4.599 3.940) 6.063 12.079 ( -2.320 -1.757 0.546) 2.961 12.408 ( -0.440 -2.215 0.556) 2.326 12.489 ( -7.312 -3.787 2.673) 8.658 12.643 ( -4.926 1.862 1.870) 5.589 12.714 ( 2.975 -1.106 0.595) 3.229 12.942 ( 4.793 -0.742 0.239) 4.856 13.197 ( 5.821 -1.020 0.104) 5.910 13.267 ( -4.118 -4.014 5.244) 7.783 13.485 ( 3.024 -5.524 1.774) 6.543 13.551 ( -5.911 -3.433 -0.806) 6.883 13.688 ( 1.095 -4.747 -0.308) 4.881 14.092 ( -2.867 -0.444 -5.028) 5.805 14.184 ( -4.588 -5.923 1.966) 7.746 14.312 ( -0.348 -5.991 -5.912) 8.424 14.716 ( 7.154 1.076 1.463) 7.381 15.000 ( 2.391 -2.394 0.200) 3.389 15.353 ( 5.288 -5.010 -22.896) 24.027 15.816 ( 2.108 -3.059 0.606) 3.764 15.991 ( -2.803 -6.071 3.863) 7.722 16.097 ( -6.077 0.395 3.003) 6.790 16.789 ( -10.165 5.133 -0.781) 11.414 17.123 ( 0.421 9.165 3.663) 9.879 17.728 ( -6.454 -3.951 12.530) 14.638 17.994 ( 11.558 2.875 -10.518) 15.890 18.342 ( -1.374 0.450 2.265) 2.687 19.631 ( -0.457 -0.312 1.930) 2.007 20.658 ( 5.808 2.983 -8.420) 10.656 21.244 ( -8.487 -6.365 9.819) 14.455 21.523 ( -2.361 -8.361 -3.633) 9.417 23.204 ( 5.130 7.997 16.494) 19.035 23.913 ( 15.974 -2.663 -13.463) 21.059 ======================= Grid point 137 (69/130) ======================= q-point: (-0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -13.062 19.967 1.579) 23.912 2.656 ( -5.897 21.473 5.297) 22.890 2.823 ( -8.353 10.797 2.191) 13.826 3.035 ( -3.536 4.274 8.317) 9.997 3.122 ( -5.037 3.852 0.963) 6.414 3.544 ( 0.266 -2.118 2.033) 2.948 3.961 ( -4.542 -19.966 0.067) 20.476 4.101 ( -1.377 2.417 -12.767) 13.067 4.537 ( 1.792 7.404 2.174) 7.922 4.710 ( -4.027 6.609 -2.674) 8.188 5.030 ( 0.650 -0.798 4.494) 4.610 5.198 ( 0.185 -6.476 5.615) 8.574 5.355 ( 0.185 2.939 0.283) 2.959 5.504 ( -1.955 -1.074 -3.588) 4.225 5.785 ( 2.471 -2.502 -0.943) 3.641 5.824 ( -1.998 4.620 2.588) 5.659 5.877 ( -0.227 1.816 -3.041) 3.550 6.130 ( -4.243 0.665 3.956) 5.839 6.170 ( 2.792 7.801 -5.277) 9.823 6.335 ( -2.435 3.698 -0.058) 4.428 6.469 ( 0.619 2.665 -1.750) 3.248 6.605 ( 3.707 7.196 3.382) 8.773 6.870 ( 4.681 -4.199 -7.257) 9.603 6.948 ( -4.971 3.787 1.356) 6.395 7.074 ( -5.665 5.667 2.006) 8.260 7.254 ( -9.019 -1.315 -0.486) 9.127 7.477 ( 2.348 1.017 -6.548) 7.030 7.635 ( -1.297 4.476 -0.551) 4.692 7.898 ( 3.964 1.745 0.095) 4.332 7.984 ( 3.990 -0.968 1.701) 4.444 8.083 ( 0.201 8.120 1.031) 8.187 8.246 ( -0.422 8.728 8.150) 11.949 8.361 ( 0.068 2.624 1.449) 2.999 8.488 ( -1.697 -1.112 -1.730) 2.666 8.696 ( -5.162 1.854 -5.504) 7.770 8.851 ( 0.785 2.133 5.833) 6.260 8.900 ( -1.525 0.464 -4.417) 4.696 8.938 ( 2.403 2.785 -4.065) 5.482 9.015 ( 3.560 -0.458 -2.619) 4.443 9.214 ( 1.591 2.040 2.047) 3.299 9.317 ( 0.889 10.178 -3.902) 10.936 9.393 ( 0.043 0.021 6.034) 6.034 9.506 ( 0.275 4.174 -4.027) 5.806 9.775 ( 2.489 7.282 4.456) 8.893 9.832 ( -0.229 1.317 -5.621) 5.778 9.953 ( 4.073 3.418 1.645) 5.566 10.047 ( 7.031 -0.809 -1.170) 7.173 10.269 ( 4.859 -5.971 -0.056) 7.698 10.435 ( 3.100 0.994 0.427) 3.283 10.494 ( 2.706 -2.434 6.150) 7.146 10.576 ( 3.420 1.444 -2.098) 4.265 10.756 ( 13.540 -3.296 0.703) 13.953 10.874 ( -0.485 -7.977 1.757) 8.183 11.188 ( 2.776 1.253 -1.257) 3.295 11.343 ( 11.186 -3.762 -1.051) 11.848 11.380 ( 3.794 -6.118 -3.154) 7.859 11.614 ( -0.047 4.952 -3.612) 6.129 11.853 ( 6.967 0.591 4.885) 8.530 11.929 ( -2.315 -2.808 1.403) 3.900 12.046 ( 1.751 -1.792 0.811) 2.634 12.340 ( -5.220 -1.032 1.664) 5.575 12.434 ( -2.035 -2.992 1.763) 4.025 12.569 ( -2.077 -1.816 0.782) 2.867 12.768 ( 4.397 0.471 -1.787) 4.769 13.088 ( 5.481 2.142 5.868) 8.310 13.203 ( -4.069 -3.012 4.223) 6.593 13.325 ( 6.782 -0.864 0.905) 6.896 13.442 ( -4.218 -2.683 1.316) 5.169 13.541 ( 2.162 -2.721 -0.099) 3.477 13.677 ( -1.575 -3.481 -2.280) 4.449 14.005 ( -4.998 -3.460 -3.999) 7.276 14.111 ( -3.536 -6.079 3.911) 8.047 14.259 ( -3.684 -6.207 -3.131) 7.867 14.800 ( 3.085 5.055 1.468) 6.101 15.143 ( 10.168 -8.565 3.020) 13.634 15.357 ( 5.603 -1.319 -27.492) 28.088 15.728 ( -9.494 -0.816 -2.689) 9.901 15.966 ( -1.117 -5.398 2.528) 6.064 16.141 ( 7.306 -2.664 4.202) 8.839 16.584 ( -10.225 2.565 -3.771) 11.196 17.148 ( 1.522 7.380 2.990) 8.107 17.688 ( -2.514 -4.761 15.391) 16.305 18.101 ( 1.844 2.844 -9.772) 10.343 18.316 ( -2.260 0.593 2.723) 3.588 19.681 ( 6.256 2.427 0.037) 6.711 20.705 ( 1.744 6.760 -5.973) 9.188 21.124 ( -7.937 -8.780 10.860) 16.063 21.481 ( -0.091 -10.792 -4.831) 11.824 23.323 ( -0.516 7.841 18.933) 20.499 24.177 ( 17.197 -3.602 -15.969) 23.743 ======================= Grid point 138 (70/130) ======================= q-point: (-0.10 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -13.601 18.380 1.077) 22.890 2.432 ( -15.775 22.302 10.367) 29.218 2.634 ( -8.166 4.327 -6.933) 11.553 3.031 ( 4.252 -1.658 4.951) 6.734 3.270 ( 7.641 13.113 3.956) 15.684 3.463 ( -7.488 -3.477 -5.580) 9.965 3.877 ( -2.774 -4.888 1.358) 5.782 4.074 ( 1.595 4.529 -11.185) 12.172 4.572 ( -2.674 13.629 7.811) 15.935 4.673 ( 4.030 1.767 -4.189) 6.075 5.089 ( 2.409 0.225 6.065) 6.529 5.171 ( -2.207 -3.931 2.786) 5.300 5.428 ( 3.615 -5.897 2.406) 7.323 5.495 ( 2.417 6.773 -2.114) 7.496 5.742 ( -1.714 -3.981 4.339) 6.133 5.829 ( -1.660 0.202 -3.432) 3.818 5.949 ( 4.982 3.430 -3.122) 6.807 5.995 ( -5.217 -4.028 0.101) 6.592 6.201 ( 0.438 7.583 -3.003) 8.168 6.297 ( -3.636 3.873 5.303) 7.506 6.472 ( -0.225 7.233 -1.071) 7.316 6.672 ( 4.222 5.480 -2.436) 7.335 6.831 ( -7.944 1.200 4.169) 9.052 6.909 ( 2.260 -0.148 -6.662) 7.036 7.029 ( -3.048 1.513 3.660) 4.997 7.137 ( 0.276 1.134 -0.307) 1.207 7.484 ( 0.419 3.462 -5.863) 6.822 7.588 ( -2.660 0.475 -2.012) 3.369 7.943 ( 0.597 -1.993 3.127) 3.756 8.010 ( -1.240 -0.134 7.568) 7.670 8.123 ( 0.862 6.169 -0.823) 6.283 8.256 ( -1.037 6.108 5.362) 8.193 8.349 ( -1.058 -0.997 1.847) 2.351 8.470 ( 1.438 0.610 -6.317) 6.507 8.580 ( -3.623 1.882 -5.627) 6.952 8.806 ( -2.468 4.747 -5.180) 7.447 8.910 ( 0.937 0.692 5.347) 5.472 8.996 ( 4.326 0.466 -4.253) 6.084 9.081 ( 3.072 -3.456 -1.489) 4.858 9.215 ( -2.695 4.317 3.103) 5.960 9.310 ( 0.451 -1.609 0.573) 1.766 9.420 ( 0.397 2.889 2.900) 4.112 9.490 ( -0.360 7.939 -5.918) 9.909 9.816 ( -0.514 6.576 0.133) 6.597 9.865 ( 4.554 8.044 -0.633) 9.266 10.021 ( 2.414 1.888 1.597) 3.456 10.171 ( 6.077 1.145 -0.195) 6.187 10.307 ( -0.614 -4.793 -0.241) 4.838 10.430 ( -0.026 -7.860 -7.421) 10.810 10.522 ( 0.359 -3.425 5.903) 6.834 10.668 ( 4.561 0.306 0.116) 4.573 10.870 ( 2.375 -0.634 0.337) 2.481 11.008 ( 4.585 -7.492 3.242) 9.363 11.254 ( 5.670 0.692 2.343) 6.174 11.427 ( 4.012 -2.514 -4.788) 6.734 11.495 ( 4.324 -3.401 -6.971) 8.880 11.654 ( 5.597 3.003 3.312) 7.164 11.835 ( -3.263 -0.052 5.026) 5.993 11.979 ( 0.886 -2.378 7.424) 7.846 12.134 ( 4.600 1.466 -1.221) 4.980 12.262 ( -3.675 -1.333 1.181) 4.084 12.386 ( -3.123 4.500 2.303) 5.941 12.586 ( 3.234 -5.188 -2.777) 6.715 12.855 ( 4.881 -1.201 -3.023) 5.866 13.082 ( -5.641 6.668 3.280) 9.330 13.184 ( -0.391 -5.812 6.064) 8.408 13.391 ( -0.716 5.816 0.045) 5.861 13.473 ( 0.277 -4.288 6.093) 7.456 13.551 ( 3.257 -4.191 -1.126) 5.426 13.657 ( 1.644 -4.286 -5.315) 7.023 13.885 ( -5.659 -5.561 -1.600) 8.094 14.089 ( -0.875 -5.684 1.076) 5.850 14.148 ( -6.791 -5.419 1.988) 8.912 14.910 ( 8.448 4.566 1.954) 9.799 15.301 ( 2.421 -5.787 -1.669) 6.491 15.366 ( 7.984 -1.098 -28.664) 29.775 15.537 ( -8.600 -3.571 2.778) 9.718 15.971 ( 0.915 -4.401 0.949) 4.595 16.293 ( 5.964 -2.298 0.973) 6.465 16.409 ( -5.648 0.560 -3.421) 6.627 17.220 ( 5.470 3.330 1.001) 6.482 17.762 ( 2.279 -3.415 16.244) 16.755 17.963 ( -10.547 1.046 -8.423) 13.539 18.281 ( -2.427 0.570 2.227) 3.343 19.856 ( 10.360 8.356 1.854) 13.438 20.671 ( -2.910 7.378 -5.219) 9.494 21.038 ( -5.965 -11.178 11.331) 16.998 21.501 ( 5.836 -11.082 -9.109) 15.487 23.305 ( -10.157 4.901 21.458) 24.241 24.405 ( 13.522 -2.759 -18.140) 22.793 ======================= Grid point 139 (71/130) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 0.528 0.000 3.848) 3.884 2.483 ( -3.606 0.000 -9.453) 10.118 2.632 ( -2.256 -0.000 4.206) 4.773 2.927 ( -5.826 0.000 4.965) 7.655 3.348 ( 4.942 0.000 -5.836) 7.648 3.437 ( -7.596 0.000 -6.073) 9.726 3.696 ( -6.217 0.000 4.680) 7.782 4.246 ( 9.568 -0.000 -13.156) 16.267 4.751 ( 1.693 0.000 1.230) 2.093 4.775 ( -3.628 -0.000 -7.426) 8.265 5.142 ( 1.528 0.000 4.724) 4.965 5.304 ( 2.423 -0.000 12.320) 12.556 5.332 ( 4.660 0.000 15.017) 15.723 5.620 ( 0.082 0.000 -4.363) 4.363 5.674 ( -8.147 0.000 -3.456) 8.849 5.720 ( 4.544 0.000 6.108) 7.613 5.899 ( 3.053 0.000 -1.563) 3.430 6.088 ( -5.027 0.000 -5.100) 7.161 6.249 ( 5.134 0.000 -8.704) 10.105 6.272 ( -2.403 0.000 14.168) 14.370 6.511 ( -6.885 0.000 -3.106) 7.553 6.675 ( -6.031 0.000 3.607) 7.027 6.830 ( 8.869 0.000 -5.237) 10.300 6.946 ( 3.225 0.000 -6.059) 6.864 7.095 ( 3.892 0.000 5.773) 6.962 7.180 ( 0.420 0.000 2.637) 2.670 7.497 ( -4.202 0.000 -2.027) 4.666 7.506 ( 1.092 0.000 -7.715) 7.792 7.945 ( 0.791 -0.000 4.015) 4.092 7.985 ( -0.956 0.000 13.317) 13.352 8.195 ( -0.487 0.000 1.939) 2.000 8.295 ( -1.838 0.000 2.650) 3.225 8.352 ( -5.015 -0.000 -4.270) 6.587 8.431 ( 5.390 0.000 -1.242) 5.531 8.601 ( 3.279 0.000 -7.426) 8.118 8.819 ( 0.523 0.000 -4.090) 4.123 9.021 ( 0.344 -0.000 2.939) 2.959 9.032 ( 3.304 -0.000 -8.438) 9.061 9.034 ( 2.787 0.000 0.694) 2.872 9.162 ( -6.358 0.000 3.673) 7.342 9.352 ( -3.980 -0.270 2.120) 4.517 9.352 ( 3.730 0.270 7.115) 8.038 9.679 ( -0.137 0.000 -11.161) 11.162 9.937 ( -2.608 0.000 -0.357) 2.632 9.955 ( 0.926 -0.000 -2.520) 2.685 10.039 ( -2.150 0.000 -3.363) 3.991 10.228 ( -0.763 -0.000 -0.640) 0.996 10.248 ( 0.843 0.000 1.102) 1.387 10.352 ( 9.430 0.000 1.225) 9.509 10.548 ( -2.023 0.000 6.702) 7.001 10.622 ( -0.741 -0.000 -1.020) 1.261 10.877 ( -4.506 -0.000 -4.856) 6.624 10.907 ( -2.239 0.000 2.867) 3.638 11.341 ( -1.616 0.000 3.754) 4.087 11.469 ( 3.961 0.000 -9.438) 10.236 11.567 ( 6.753 0.000 -4.279) 7.995 11.751 ( -0.327 0.000 5.750) 5.759 11.869 ( -0.219 -0.000 8.982) 8.985 11.947 ( 2.494 0.000 13.082) 13.318 12.185 ( -2.938 0.000 -1.360) 3.237 12.194 ( 0.193 -0.000 4.294) 4.299 12.514 ( -1.498 -0.000 -3.515) 3.821 12.559 ( 0.640 0.000 -4.993) 5.034 12.732 ( -4.257 0.000 -2.997) 5.206 13.084 ( -1.121 0.000 2.059) 2.344 13.237 ( 1.699 -0.000 2.625) 3.127 13.410 ( -5.257 0.000 -2.416) 5.785 13.424 ( -4.568 -0.000 -0.826) 4.642 13.514 ( 4.163 -0.000 0.996) 4.281 13.595 ( 2.840 0.000 -1.089) 3.041 13.806 ( 0.858 0.000 0.886) 1.233 13.909 ( -6.782 0.000 -3.107) 7.460 14.116 ( 3.704 0.000 6.455) 7.442 15.168 ( -4.114 -0.000 -1.107) 4.261 15.228 ( 10.107 0.000 6.643) 12.095 15.348 ( 2.882 0.000 -27.014) 27.168 15.352 ( -4.674 -0.000 1.416) 4.883 15.967 ( 4.119 0.000 -2.840) 5.003 16.333 ( -0.108 0.000 -0.785) 0.792 16.379 ( 3.597 0.000 -0.987) 3.730 17.339 ( 4.764 0.000 2.244) 5.266 17.543 ( -20.711 0.000 -2.121) 20.820 18.019 ( 12.148 0.000 8.107) 14.604 18.248 ( -2.154 0.000 0.565) 2.227 20.185 ( 5.683 -0.000 8.299) 10.059 20.510 ( -12.851 0.000 3.477) 13.313 20.968 ( 1.892 0.000 -0.457) 1.946 21.512 ( 13.832 0.000 -12.762) 18.821 23.139 ( -18.087 0.000 19.663) 26.716 24.521 ( 7.451 0.000 -15.246) 16.969 ======================= Grid point 141 (72/130) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -2.861 -0.000 -9.535) 9.955 2.406 ( 17.243 0.000 3.410) 17.576 2.707 ( 8.896 -0.000 4.870) 10.141 2.893 ( 3.112 -0.000 1.974) 3.685 3.261 ( -6.862 -0.000 -8.301) 10.770 3.435 ( -6.788 0.000 2.625) 7.278 3.533 ( 0.833 0.000 -0.818) 1.168 4.328 ( 3.892 -0.000 -10.224) 10.939 4.715 ( -7.192 -0.000 4.786) 8.639 4.717 ( 0.468 0.000 -7.196) 7.211 5.202 ( 2.143 0.000 6.978) 7.300 5.366 ( -2.204 -0.000 12.687) 12.877 5.421 ( -0.675 0.000 10.876) 10.897 5.540 ( -3.711 0.000 -1.417) 3.972 5.604 ( 2.089 -0.000 -10.304) 10.514 5.876 ( 3.842 -0.000 3.676) 5.317 5.906 ( -4.815 0.000 0.428) 4.834 5.937 ( 1.127 0.000 0.141) 1.136 6.303 ( -1.770 0.000 7.448) 7.656 6.388 ( -1.357 -0.000 -5.872) 6.026 6.417 ( 12.092 0.000 -7.650) 14.309 6.586 ( -3.285 0.000 -1.230) 3.507 6.964 ( 1.315 0.000 -4.155) 4.358 6.990 ( 6.448 -0.000 1.070) 6.536 7.172 ( 0.376 -0.000 3.951) 3.969 7.200 ( 2.951 0.000 2.310) 3.748 7.460 ( 1.638 0.000 -3.360) 3.738 7.523 ( 3.228 -0.000 -3.110) 4.482 7.946 ( -2.627 -0.000 0.139) 2.631 8.037 ( 1.743 0.000 12.285) 12.408 8.184 ( -2.627 0.000 1.391) 2.973 8.222 ( -5.999 0.000 -2.238) 6.402 8.359 ( 7.697 0.000 3.613) 8.503 8.543 ( 6.114 -0.000 -4.184) 7.408 8.622 ( 1.760 -0.000 -3.525) 3.940 8.825 ( 0.359 0.000 -0.043) 0.361 8.996 ( -1.184 0.000 -4.122) 4.288 9.046 ( -5.312 0.000 1.521) 5.526 9.079 ( 3.544 0.000 -5.545) 6.581 9.133 ( 5.100 0.000 2.153) 5.536 9.269 ( -5.497 0.000 3.836) 6.703 9.464 ( 4.213 0.000 7.615) 8.703 9.575 ( -4.763 0.000 -10.590) 11.612 9.889 ( -5.303 0.000 -8.354) 9.895 9.945 ( 2.537 -0.000 0.674) 2.625 9.995 ( -1.478 0.000 -0.745) 1.655 10.183 ( -3.296 0.000 -1.517) 3.628 10.286 ( 0.569 0.000 7.416) 7.438 10.367 ( -11.283 -0.000 -5.743) 12.661 10.510 ( 5.922 0.000 1.100) 6.023 10.758 ( 4.818 -0.000 9.936) 11.043 10.763 ( -4.979 -0.000 -2.304) 5.486 10.812 ( -5.303 0.000 0.862) 5.373 11.258 ( -6.515 0.000 -2.389) 6.939 11.384 ( -8.419 -0.000 -6.277) 10.502 11.572 ( -5.631 0.000 -2.334) 6.096 11.806 ( 3.195 0.000 8.117) 8.723 11.948 ( 2.266 -0.000 6.645) 7.021 12.054 ( -6.979 0.000 -1.008) 7.051 12.100 ( 1.363 -0.000 15.154) 15.216 12.182 ( 0.628 -0.000 1.387) 1.522 12.462 ( -8.273 -0.000 -5.078) 9.708 12.495 ( 2.230 -0.000 -4.505) 5.027 12.649 ( -1.488 0.000 -5.210) 5.419 13.102 ( 0.891 0.000 1.133) 1.441 13.173 ( -8.101 0.000 5.784) 9.954 13.359 ( -2.207 0.000 0.319) 2.230 13.388 ( 2.829 -0.000 -6.147) 6.766 13.570 ( -6.738 -0.000 2.520) 7.193 13.580 ( 2.353 0.000 -0.609) 2.431 13.849 ( 3.849 -0.000 -5.382) 6.616 13.857 ( 3.803 0.000 1.030) 3.940 14.225 ( 5.049 0.000 4.569) 6.809 15.047 ( -7.222 0.000 -1.492) 7.374 15.231 ( -4.234 -0.000 11.828) 12.563 15.251 ( -1.684 0.000 -23.408) 23.468 15.554 ( 15.669 0.000 -0.487) 15.677 16.063 ( 7.476 0.000 -6.100) 9.649 16.272 ( -5.426 0.000 0.269) 5.433 16.479 ( 5.367 0.000 -3.653) 6.492 17.198 ( -12.393 0.000 -0.282) 12.396 17.401 ( -1.052 0.000 7.453) 7.527 18.217 ( -0.860 0.000 -1.612) 1.828 18.271 ( 10.461 -0.000 5.064) 11.622 20.215 ( -6.392 -0.000 12.982) 14.470 20.328 ( -4.916 0.000 -6.661) 8.279 21.009 ( 2.365 0.000 0.827) 2.506 21.733 ( 11.699 0.000 -5.129) 12.774 22.887 ( -13.723 0.000 10.802) 17.464 24.522 ( -2.214 0.000 -10.290) 10.525 ======================= Grid point 143 (73/130) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -2.846 -0.000 -3.815) 4.760 2.734 ( 14.548 -0.000 3.821) 15.042 2.941 ( -5.639 0.000 0.502) 5.662 3.023 ( 18.917 -0.000 0.621) 18.928 3.167 ( 2.996 0.000 -2.901) 4.170 3.287 ( 1.650 -0.000 5.042) 5.305 3.697 ( 10.780 0.000 0.178) 10.781 4.332 ( 1.426 -0.000 -8.307) 8.428 4.543 ( -11.746 0.000 3.217) 12.179 4.736 ( 4.427 -0.000 -6.509) 7.872 5.269 ( 1.480 0.000 9.437) 9.552 5.279 ( -8.779 -0.000 8.196) 12.010 5.416 ( -2.378 -0.000 6.438) 6.863 5.551 ( 2.444 0.000 1.509) 2.873 5.631 ( 3.901 -0.000 -8.166) 9.050 5.744 ( -4.343 0.000 -8.802) 9.815 5.952 ( 0.364 -0.000 -0.346) 0.502 6.053 ( 5.406 0.000 9.703) 11.108 6.199 ( -3.837 0.000 -10.114) 10.817 6.402 ( -8.303 -0.000 0.398) 8.312 6.467 ( 5.312 0.000 5.436) 7.600 6.731 ( 15.969 -0.000 -10.137) 18.915 6.951 ( -1.916 0.000 -4.885) 5.247 7.020 ( -3.225 -0.000 6.048) 6.854 7.150 ( -1.394 -0.000 0.647) 1.537 7.347 ( 9.639 0.000 1.276) 9.724 7.514 ( 4.924 0.000 -5.586) 7.447 7.575 ( 1.231 -0.000 2.697) 2.965 7.858 ( -5.531 0.000 -2.831) 6.213 8.107 ( -2.861 -0.000 1.939) 3.456 8.131 ( -2.882 0.000 0.516) 2.927 8.174 ( 4.650 0.000 9.202) 10.310 8.522 ( 6.618 0.000 4.019) 7.743 8.568 ( -0.490 -0.000 -1.940) 2.001 8.702 ( 6.565 -0.000 -2.917) 7.184 8.787 ( -4.898 0.000 -0.222) 4.903 8.953 ( -4.344 0.000 -0.193) 4.348 8.996 ( 2.686 -0.000 -1.340) 3.002 9.079 ( -2.388 0.000 -3.413) 4.166 9.230 ( 1.600 -0.000 0.100) 1.603 9.233 ( 2.849 0.000 -0.723) 2.939 9.391 ( -6.079 0.000 -3.196) 6.867 9.617 ( 5.152 -0.000 2.665) 5.801 9.726 ( -8.318 0.000 -7.440) 11.160 9.974 ( -0.576 -0.000 1.359) 1.476 9.979 ( -1.097 0.000 -0.071) 1.099 10.121 ( -4.801 -0.000 -2.985) 5.653 10.152 ( -5.164 0.000 -2.437) 5.710 10.316 ( -0.676 0.000 8.198) 8.226 10.475 ( -9.579 0.000 -1.851) 9.756 10.591 ( -12.345 0.000 2.091) 12.521 10.761 ( 3.684 -0.000 5.291) 6.447 10.981 ( 9.785 -0.000 6.193) 11.581 11.092 ( -9.221 0.000 -4.866) 10.426 11.196 ( -7.751 0.000 -5.513) 9.511 11.389 ( -12.747 -0.000 0.364) 12.752 11.752 ( -13.393 0.000 -5.441) 14.456 11.865 ( -0.923 -0.000 6.936) 6.997 12.004 ( -9.226 0.000 3.427) 9.842 12.118 ( 0.515 -0.000 6.293) 6.314 12.296 ( -3.600 -0.000 -2.925) 4.638 12.299 ( 5.630 0.000 2.517) 6.167 12.596 ( 8.994 -0.000 -0.696) 9.021 12.654 ( 4.005 0.000 -3.900) 5.590 13.047 ( -7.637 0.000 8.530) 11.449 13.109 ( 0.059 0.000 -0.259) 0.265 13.317 ( -3.692 0.000 1.681) 4.057 13.370 ( -5.871 0.000 -1.549) 6.072 13.468 ( 0.137 -0.000 -1.373) 1.379 13.585 ( -1.021 0.000 -2.995) 3.164 13.944 ( 4.971 0.000 -0.527) 4.999 13.965 ( 8.971 0.000 -5.475) 10.509 14.325 ( 3.944 0.000 2.544) 4.694 14.903 ( -8.045 0.000 0.688) 8.075 15.145 ( 0.134 -0.000 -20.628) 20.628 15.247 ( 0.278 0.000 14.781) 14.784 15.769 ( 5.757 0.000 -9.039) 10.717 16.162 ( 3.324 0.000 -2.563) 4.197 16.202 ( -0.836 0.000 9.766) 9.801 16.510 ( 3.783 0.000 -12.618) 13.173 17.143 ( 4.534 0.000 3.330) 5.625 17.350 ( -7.447 0.000 9.123) 11.777 18.209 ( 1.146 0.000 -3.152) 3.354 18.415 ( 2.831 -0.000 2.732) 3.934 20.083 ( -12.217 -0.000 15.215) 19.513 20.282 ( 3.591 0.000 -13.325) 13.800 21.064 ( 3.005 0.000 2.332) 3.804 21.871 ( 2.952 0.000 4.740) 5.584 22.735 ( -4.845 0.000 0.230) 4.851 24.368 ( -10.316 0.000 -6.082) 11.975 ======================= Grid point 145 (74/130) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -1.492 0.000 3.035) 3.382 2.787 ( -5.778 -0.000 0.530) 5.803 3.003 ( 12.660 -0.000 2.984) 13.007 3.124 ( 3.383 -0.000 -3.504) 4.870 3.422 ( 4.379 -0.000 8.704) 9.744 3.498 ( 17.288 -0.000 4.202) 17.791 3.914 ( 12.183 0.000 -1.728) 12.305 4.325 ( -10.890 -0.000 -3.226) 11.358 4.372 ( 6.355 -0.000 -3.684) 7.345 4.834 ( 7.943 -0.000 -4.279) 9.022 5.177 ( -3.286 0.000 4.232) 5.358 5.332 ( 1.489 0.000 11.697) 11.791 5.418 ( 1.360 -0.000 0.764) 1.560 5.592 ( 1.589 0.000 -2.194) 2.709 5.647 ( -3.089 0.000 -8.181) 8.744 5.663 ( 1.835 0.000 -1.180) 2.182 5.934 ( -2.144 0.000 0.350) 2.172 6.154 ( 2.960 -0.000 -10.683) 11.085 6.156 ( 2.101 0.000 4.268) 4.758 6.233 ( -8.614 -0.000 0.922) 8.663 6.575 ( 3.949 0.000 3.274) 5.130 6.837 ( -6.364 0.000 -2.617) 6.881 6.956 ( -6.149 0.000 7.189) 9.460 6.957 ( 10.234 -0.000 -9.752) 14.136 7.192 ( 6.047 0.000 -1.787) 6.305 7.471 ( 0.315 0.000 1.460) 1.494 7.567 ( -3.381 0.000 3.730) 5.035 7.586 ( 5.866 -0.000 -3.755) 6.965 7.742 ( -4.223 0.000 -5.720) 7.110 8.032 ( -5.844 0.000 2.598) 6.396 8.097 ( -0.524 0.000 0.171) 0.551 8.296 ( 2.050 -0.000 3.720) 4.248 8.594 ( 4.173 0.000 6.303) 7.559 8.628 ( 3.113 -0.000 4.452) 5.433 8.676 ( -5.467 0.000 -1.145) 5.586 8.770 ( 0.659 0.000 -4.864) 4.909 8.911 ( 1.641 0.000 -3.151) 3.553 8.995 ( -2.342 0.000 -1.760) 2.929 9.085 ( 2.907 0.000 5.721) 6.417 9.171 ( -3.287 -0.000 -6.152) 6.975 9.256 ( 0.876 0.000 -9.711) 9.751 9.393 ( 2.616 0.000 5.033) 5.672 9.555 ( -5.923 0.000 -2.715) 6.516 9.661 ( -0.948 -0.000 -1.126) 1.472 9.866 ( -8.322 -0.000 -0.349) 8.330 9.980 ( -0.373 -0.000 2.887) 2.911 10.023 ( -2.070 0.000 -5.589) 5.960 10.127 ( -3.297 0.000 3.366) 4.711 10.252 ( -11.285 -0.000 0.486) 11.296 10.318 ( -2.713 0.000 6.722) 7.249 10.435 ( -3.118 0.000 3.200) 4.468 10.824 ( -3.170 0.000 4.649) 5.627 10.913 ( -4.055 0.000 -5.401) 6.753 11.084 ( -2.056 -0.000 -3.672) 4.208 11.089 ( -18.658 0.000 -0.226) 18.660 11.166 ( 7.824 0.000 2.286) 8.151 11.558 ( -5.399 0.000 0.285) 5.407 11.808 ( -7.393 0.000 1.763) 7.600 11.869 ( -4.919 -0.000 4.340) 6.559 12.022 ( -6.104 0.000 -3.018) 6.809 12.354 ( 4.755 -0.000 4.847) 6.790 12.389 ( 3.982 0.000 -2.927) 4.942 12.733 ( 3.048 0.000 -0.430) 3.078 12.759 ( 6.963 -0.000 -0.407) 6.974 13.000 ( 0.187 0.000 12.188) 12.190 13.125 ( 2.656 0.000 -1.113) 2.880 13.211 ( -8.096 -0.000 2.038) 8.349 13.254 ( -4.615 0.000 0.710) 4.670 13.503 ( 3.093 0.000 -3.305) 4.526 13.533 ( -2.469 0.000 -5.519) 6.046 14.024 ( 3.804 0.000 -2.050) 4.321 14.107 ( 7.880 0.000 -5.537) 9.631 14.383 ( 1.585 0.000 -0.091) 1.587 14.748 ( -8.847 0.000 1.772) 9.023 15.108 ( 3.566 -0.000 -17.951) 18.301 15.338 ( 2.320 0.000 16.266) 16.431 15.682 ( -7.174 -0.000 -12.019) 13.997 16.146 ( -3.565 0.000 1.897) 4.039 16.333 ( 6.484 0.000 13.500) 14.977 16.617 ( 12.966 0.000 -15.575) 20.266 17.222 ( -8.444 0.000 6.761) 10.817 17.293 ( 8.503 0.000 1.691) 8.670 18.235 ( 2.799 0.000 -3.368) 4.380 18.397 ( -5.766 0.000 3.918) 6.971 19.915 ( -11.037 0.000 13.971) 17.805 20.327 ( 6.205 0.000 -14.772) 16.022 21.143 ( 4.114 0.000 3.534) 5.423 21.890 ( -2.914 0.000 6.276) 6.920 22.692 ( 0.326 0.000 -1.697) 1.728 24.115 ( -13.724 0.000 -4.145) 14.337 ======================= Grid point 147 (75/130) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 0.814 0.000 7.667) 7.710 2.770 ( 2.150 0.000 2.747) 3.488 3.116 ( 0.579 -0.000 -7.929) 7.950 3.264 ( 9.212 0.000 4.154) 10.105 3.470 ( -2.772 -0.000 10.114) 10.487 3.724 ( 6.400 0.000 5.939) 8.731 4.102 ( 8.139 0.000 -3.196) 8.744 4.129 ( -7.692 -0.000 -3.668) 8.522 4.499 ( 5.064 0.000 -1.635) 5.321 4.966 ( 6.223 -0.000 -1.861) 6.495 5.246 ( 10.202 0.000 -1.173) 10.269 5.419 ( 2.874 0.000 1.964) 3.481 5.471 ( 3.562 -0.000 4.842) 6.011 5.551 ( -4.238 0.000 -3.465) 5.474 5.604 ( 2.437 0.000 -3.727) 4.453 5.717 ( 3.166 0.000 4.521) 5.519 5.878 ( -3.835 0.000 -1.371) 4.072 6.069 ( -4.969 0.000 -5.180) 7.178 6.170 ( 0.763 0.000 -5.925) 5.974 6.208 ( -0.116 -0.000 3.243) 3.245 6.631 ( 1.300 0.000 -0.390) 1.357 6.727 ( -3.905 0.000 -1.012) 4.034 6.848 ( -8.201 0.000 8.758) 11.999 7.060 ( 3.869 -0.000 -3.905) 5.497 7.317 ( 6.849 0.000 -3.301) 7.603 7.401 ( -4.707 0.000 -2.272) 5.227 7.503 ( -2.804 0.000 0.583) 2.864 7.662 ( -0.985 -0.000 -1.015) 1.415 7.698 ( 4.333 0.000 -3.816) 5.774 7.897 ( -8.976 0.000 1.823) 9.159 8.116 ( 2.589 0.000 0.254) 2.602 8.278 ( -2.732 0.000 -0.009) 2.732 8.587 ( -3.759 -0.000 -0.559) 3.800 8.674 ( -2.863 0.000 -4.393) 5.244 8.685 ( 1.619 -0.000 2.319) 2.828 8.769 ( 4.118 0.000 4.884) 6.388 8.951 ( -2.953 0.000 0.659) 3.025 8.969 ( 5.701 -0.000 -3.760) 6.829 9.099 ( -3.169 -0.000 -0.078) 3.170 9.154 ( 2.326 0.000 -2.575) 3.470 9.248 ( 4.621 0.000 -1.190) 4.772 9.460 ( 1.960 0.000 6.531) 6.818 9.515 ( 0.699 -0.000 -1.227) 1.412 9.597 ( -3.915 0.000 -3.830) 5.477 9.750 ( -3.838 -0.000 2.180) 4.414 9.937 ( -3.133 0.000 -3.635) 4.799 9.947 ( -4.512 -0.000 2.264) 5.048 10.107 ( 0.404 -0.000 2.122) 2.160 10.109 ( -3.916 0.000 0.440) 3.941 10.255 ( -6.157 0.000 2.038) 6.486 10.424 ( -2.725 -0.000 -2.040) 3.404 10.695 ( -5.575 0.000 -2.799) 6.238 10.775 ( -12.456 0.000 6.595) 14.094 10.908 ( 0.568 -0.000 -0.409) 0.700 11.086 ( 2.103 0.000 1.658) 2.678 11.288 ( 4.834 0.000 -0.693) 4.884 11.503 ( -2.431 -0.000 1.284) 2.749 11.671 ( -5.816 0.000 -2.594) 6.368 11.830 ( -2.015 -0.000 7.498) 7.764 11.951 ( -0.250 0.000 -0.843) 0.879 12.426 ( 1.609 0.000 -2.286) 2.796 12.455 ( 3.738 0.000 4.691) 5.998 12.728 ( -1.640 -0.000 0.648) 1.763 12.850 ( 1.481 0.000 1.759) 2.299 13.032 ( -9.102 0.000 -0.125) 9.103 13.096 ( 2.636 0.000 6.706) 7.205 13.217 ( 0.175 0.000 2.894) 2.899 13.258 ( 10.393 -0.000 0.651) 10.414 13.454 ( -3.445 0.000 -6.081) 6.989 13.543 ( 2.449 0.000 -3.297) 4.107 14.069 ( 2.343 0.000 -3.157) 3.932 14.204 ( 4.637 0.000 -6.055) 7.627 14.381 ( -0.901 0.000 -3.875) 3.978 14.601 ( -7.271 0.000 2.718) 7.763 15.128 ( 5.324 0.000 -16.422) 17.264 15.377 ( -6.268 0.000 3.670) 7.264 15.554 ( 0.061 0.000 2.804) 2.805 16.085 ( -3.576 0.000 2.606) 4.425 16.451 ( 0.162 0.000 8.751) 8.753 16.827 ( 14.030 0.000 -12.612) 18.866 17.128 ( -3.215 0.000 6.329) 7.098 17.440 ( 7.034 0.000 -1.962) 7.303 18.254 ( -11.008 0.000 7.243) 13.177 18.281 ( 3.057 -0.000 -2.254) 3.798 19.788 ( -7.485 0.000 10.298) 12.731 20.388 ( 6.011 0.000 -13.198) 14.502 21.237 ( 3.829 0.000 4.463) 5.880 21.817 ( -6.115 0.000 1.343) 6.261 22.737 ( 4.281 0.000 3.832) 5.746 23.856 ( -11.077 0.000 -4.955) 12.135 ======================= Grid point 149 (76/130) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 5.886 0.000 12.840) 14.125 2.838 ( 2.577 0.000 4.670) 5.334 3.043 ( -3.133 0.000 -11.869) 12.276 3.378 ( 0.701 0.000 1.716) 1.854 3.415 ( -6.312 0.000 8.503) 10.590 3.821 ( 0.742 0.000 8.612) 8.644 4.038 ( -0.530 0.000 -2.900) 2.947 4.185 ( 1.886 0.000 -3.112) 3.639 4.529 ( 0.215 0.000 -0.661) 0.695 5.027 ( 0.873 0.000 -1.190) 1.476 5.317 ( -11.009 0.000 -5.884) 12.483 5.404 ( 3.948 0.000 -5.637) 6.882 5.527 ( 1.786 0.000 4.938) 5.251 5.594 ( 4.127 0.000 4.067) 5.794 5.652 ( -5.186 -0.000 2.830) 5.907 5.813 ( 8.271 0.000 4.015) 9.194 5.857 ( 7.678 0.000 -1.892) 7.908 6.019 ( 2.279 0.000 -7.510) 7.849 6.116 ( -4.412 0.000 -0.830) 4.489 6.207 ( -0.160 -0.000 -0.882) 0.896 6.613 ( -2.591 0.000 -1.831) 3.173 6.676 ( -1.857 0.000 0.300) 1.881 6.757 ( -4.030 0.000 6.227) 7.418 7.067 ( -2.090 0.000 1.245) 2.432 7.333 ( -0.930 0.000 -4.649) 4.741 7.409 ( 5.254 0.000 -3.134) 6.118 7.504 ( 2.235 0.000 -4.013) 4.594 7.638 ( 0.214 0.000 -2.729) 2.738 7.757 ( -5.119 0.000 1.642) 5.376 7.760 ( 2.198 0.000 0.830) 2.350 8.199 ( 5.486 0.000 2.408) 5.991 8.236 ( -1.270 0.000 -0.613) 1.410 8.513 ( -3.325 0.000 -2.482) 4.150 8.552 ( -6.292 0.000 -6.288) 8.895 8.727 ( 2.888 0.000 -0.496) 2.930 8.843 ( 2.466 0.000 0.025) 2.466 8.870 ( -5.787 0.000 4.457) 7.304 9.068 ( 3.371 0.000 1.138) 3.558 9.101 ( 2.819 0.000 0.890) 2.956 9.183 ( 1.330 0.000 -3.242) 3.504 9.381 ( 8.162 0.000 5.833) 10.032 9.460 ( -3.603 0.000 1.137) 3.778 9.511 ( -1.080 0.000 -3.483) 3.647 9.595 ( 5.049 0.000 4.478) 6.748 9.731 ( -0.082 0.000 3.257) 3.258 9.873 ( -2.541 0.000 0.914) 2.701 9.916 ( 1.103 -0.000 -2.690) 2.908 10.064 ( -1.342 0.000 -1.664) 2.138 10.108 ( -8.601 0.000 -3.342) 9.227 10.135 ( 1.635 -0.000 0.626) 1.751 10.292 ( -5.015 0.000 -4.636) 6.830 10.629 ( -0.861 0.000 -4.327) 4.412 10.737 ( 2.116 0.000 11.039) 11.240 10.926 ( 1.954 -0.000 1.605) 2.529 11.145 ( 2.307 0.000 4.596) 5.143 11.331 ( -0.251 -0.000 -1.984) 2.000 11.466 ( -0.909 0.000 -0.171) 0.925 11.595 ( -0.432 0.000 -4.790) 4.809 11.842 ( -0.454 0.000 8.704) 8.716 11.988 ( 2.872 0.000 2.749) 3.975 12.468 ( 3.796 -0.000 1.821) 4.210 12.498 ( -2.250 0.000 4.632) 5.149 12.693 ( -2.496 0.000 -0.295) 2.513 12.803 ( -4.601 0.000 -4.317) 6.310 12.957 ( 1.860 0.000 2.032) 2.755 13.090 ( -4.030 0.000 0.247) 4.038 13.265 ( 1.531 -0.000 5.344) 5.559 13.367 ( -3.464 0.000 -0.804) 3.556 13.468 ( 9.169 0.000 0.414) 9.178 13.572 ( 1.958 0.000 -2.169) 2.921 14.103 ( 2.967 0.000 -3.199) 4.363 14.229 ( 0.587 0.000 -6.661) 6.687 14.333 ( -1.274 0.000 -7.745) 7.849 14.513 ( -2.763 0.000 2.692) 3.858 15.172 ( 5.917 0.000 -15.974) 17.034 15.217 ( -7.873 -0.000 -3.968) 8.816 15.630 ( 2.509 0.000 10.943) 11.227 16.031 ( -3.418 0.000 2.683) 4.345 16.403 ( -6.510 0.000 1.994) 6.808 17.001 ( 7.068 0.000 -6.864) 9.853 17.148 ( 1.198 0.000 8.648) 8.730 17.555 ( 8.168 0.000 -7.893) 11.359 18.068 ( -11.772 0.000 9.974) 15.429 18.325 ( 2.035 0.000 -0.482) 2.092 19.707 ( -4.905 0.000 6.823) 8.403 20.459 ( 6.803 0.000 -10.560) 12.562 21.300 ( 0.221 0.000 6.321) 6.325 21.687 ( -6.829 0.000 -3.523) 7.685 22.880 ( 7.754 0.000 10.177) 12.795 23.694 ( -2.837 0.000 -8.257) 8.731 ======================= Grid point 151 (77/130) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 9.108 0.000 19.559) 21.576 2.884 ( 0.226 0.000 5.454) 5.458 2.951 ( -1.344 0.000 -11.371) 11.450 3.311 ( -6.424 0.000 -1.283) 6.551 3.321 ( -5.948 -0.000 4.226) 7.296 3.806 ( -6.737 0.000 8.575) 10.904 4.044 ( 0.639 0.000 -0.137) 0.654 4.141 ( -5.887 0.000 -2.496) 6.394 4.546 ( 2.765 0.000 -3.766) 4.672 4.980 ( -5.869 0.000 -6.172) 8.517 5.091 ( -8.040 -0.000 1.243) 8.135 5.315 ( -11.568 0.000 -0.561) 11.581 5.526 ( -3.155 0.000 -0.578) 3.208 5.561 ( -0.899 -0.000 3.199) 3.323 5.657 ( 2.401 -0.000 0.382) 2.431 5.964 ( -3.712 0.000 6.729) 7.685 5.999 ( 7.590 0.000 6.206) 9.804 6.055 ( 1.317 0.000 -2.387) 2.726 6.146 ( 11.737 0.000 -6.504) 13.419 6.204 ( 2.534 -0.000 -8.047) 8.436 6.554 ( -2.554 0.000 -0.564) 2.615 6.657 ( 0.275 0.000 -0.176) 0.326 6.712 ( -3.088 0.000 1.539) 3.450 7.039 ( -0.822 0.000 1.264) 1.508 7.317 ( 0.885 0.000 -6.503) 6.563 7.437 ( -1.370 0.000 -2.567) 2.910 7.537 ( -0.019 0.000 0.974) 0.975 7.662 ( 3.009 0.000 -1.700) 3.456 7.748 ( 4.611 0.000 -3.242) 5.636 7.799 ( 1.994 -0.000 1.989) 2.816 8.221 ( -0.345 0.000 -1.748) 1.782 8.317 ( 4.061 0.000 6.656) 7.797 8.427 ( -4.228 0.000 -2.295) 4.810 8.463 ( -0.422 -0.000 -3.223) 3.251 8.776 ( -0.761 0.000 3.869) 3.943 8.803 ( 0.382 0.000 0.302) 0.487 8.864 ( -0.298 0.000 -1.590) 1.618 9.082 ( -1.242 0.000 1.447) 1.907 9.160 ( 1.754 0.000 1.443) 2.271 9.172 ( -0.748 -0.000 -5.447) 5.499 9.431 ( 0.853 0.000 -0.025) 0.853 9.435 ( -4.726 -0.000 -4.779) 6.721 9.590 ( 10.242 0.000 7.622) 12.767 9.712 ( 0.274 0.000 -0.565) 0.628 9.743 ( 2.198 0.000 8.174) 8.465 9.877 ( 0.102 0.000 -0.948) 0.953 9.932 ( 3.588 -0.000 -1.646) 3.947 9.950 ( -1.962 0.000 -6.211) 6.514 10.069 ( 3.518 0.000 -0.451) 3.547 10.212 ( 7.549 0.000 0.129) 7.550 10.291 ( 3.348 0.000 3.938) 5.168 10.592 ( -1.173 0.000 -7.451) 7.543 10.862 ( 7.000 0.000 4.197) 8.162 11.010 ( 5.249 -0.000 5.099) 7.319 11.197 ( 1.621 -0.000 3.699) 4.039 11.252 ( -6.889 0.000 -2.601) 7.364 11.501 ( 4.974 0.000 2.361) 5.506 11.610 ( 3.574 0.000 -5.976) 6.963 11.866 ( -0.441 0.000 6.921) 6.935 12.051 ( 1.929 0.000 3.500) 3.996 12.410 ( -6.647 0.000 1.786) 6.883 12.581 ( 2.792 0.000 7.932) 8.409 12.621 ( -1.954 0.000 -3.447) 3.962 12.737 ( -0.445 0.000 -5.021) 5.041 12.973 ( -7.180 0.000 -1.566) 7.349 13.056 ( 6.586 0.000 2.240) 6.957 13.288 ( -0.683 0.000 3.543) 3.608 13.329 ( -0.884 0.000 4.015) 4.112 13.559 ( 0.582 0.000 -0.749) 0.948 13.603 ( 1.774 0.000 -0.162) 1.781 14.143 ( 0.849 0.000 -1.179) 1.453 14.184 ( -2.071 0.000 -6.382) 6.710 14.289 ( -0.274 0.000 -8.332) 8.336 14.545 ( 5.951 0.000 2.023) 6.285 15.080 ( -5.377 0.000 -2.641) 5.991 15.224 ( 6.388 0.000 -17.048) 18.206 15.711 ( 2.441 0.000 7.543) 7.928 15.977 ( -3.356 0.000 2.541) 4.210 16.258 ( -8.544 0.000 -0.652) 8.568 17.002 ( -4.875 0.000 -1.844) 5.212 17.202 ( 0.512 0.000 8.019) 8.036 17.699 ( 8.144 -0.000 -7.313) 10.946 17.921 ( -4.931 0.000 6.171) 7.899 18.349 ( 0.314 0.000 1.255) 1.294 19.653 ( -3.190 0.000 4.384) 5.422 20.566 ( 8.141 0.000 -7.543) 11.098 21.282 ( -5.444 0.000 9.336) 10.808 21.549 ( -5.653 0.000 -6.512) 8.623 23.089 ( 8.794 0.000 15.100) 17.475 23.700 ( 7.802 0.000 -12.800) 14.991 ======================= Grid point 153 (78/130) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 1.039 -0.000 22.304) 22.328 2.870 ( -6.181 0.000 -5.801) 8.477 2.943 ( 7.504 0.000 4.814) 8.915 3.220 ( 0.423 -0.000 -4.375) 4.395 3.227 ( -4.706 0.000 1.596) 4.970 3.594 ( -18.787 0.000 7.286) 20.150 3.940 ( -13.681 -0.000 -2.645) 13.935 4.056 ( 0.704 0.000 0.204) 0.733 4.593 ( 4.000 0.000 -6.818) 7.904 4.840 ( -2.356 0.000 -9.330) 9.623 5.036 ( -1.503 0.000 5.473) 5.676 5.119 ( -7.378 0.000 3.895) 8.343 5.496 ( -7.236 0.000 4.179) 8.356 5.503 ( 0.585 -0.000 -2.345) 2.417 5.710 ( 3.515 -0.000 -3.336) 4.846 5.891 ( -4.175 0.000 3.493) 5.443 6.004 ( -4.823 0.000 -0.518) 4.851 6.150 ( 2.652 -0.000 8.325) 8.737 6.263 ( 6.265 0.000 -8.903) 10.887 6.283 ( 4.041 -0.000 -3.069) 5.074 6.521 ( -0.737 0.000 0.177) 0.758 6.669 ( -0.079 0.000 -1.192) 1.195 6.693 ( 4.311 -0.000 -5.152) 6.718 7.035 ( -0.663 0.000 1.043) 1.236 7.291 ( -1.337 0.000 -7.693) 7.808 7.406 ( -10.163 -0.000 6.503) 12.066 7.431 ( -1.179 -0.000 -3.648) 3.833 7.708 ( 1.392 -0.000 -0.509) 1.482 7.863 ( 3.824 0.000 2.044) 4.336 7.869 ( 7.608 -0.000 -5.059) 9.137 8.198 ( -1.419 0.000 0.562) 1.527 8.359 ( -3.010 0.000 11.431) 11.821 8.398 ( 1.264 -0.000 -0.518) 1.366 8.465 ( 0.370 0.000 -2.869) 2.893 8.775 ( 1.154 0.000 5.899) 6.011 8.811 ( -4.251 0.000 -2.680) 5.025 8.863 ( 4.400 0.000 -2.987) 5.318 9.058 ( -1.946 0.000 -0.262) 1.964 9.130 ( -4.421 0.000 -7.427) 8.643 9.145 ( 0.628 -0.000 -1.325) 1.467 9.359 ( -1.335 -0.000 3.615) 3.854 9.472 ( 2.005 0.000 -0.318) 2.030 9.621 ( -3.690 0.000 -7.742) 8.576 9.784 ( 8.052 0.000 5.448) 9.722 9.815 ( -0.128 -0.000 -7.188) 7.189 9.861 ( 4.827 0.000 7.503) 8.921 9.984 ( 1.899 -0.000 -3.470) 3.956 10.048 ( 7.142 0.000 1.804) 7.367 10.286 ( 17.131 0.000 4.334) 17.671 10.369 ( 5.580 0.000 8.071) 9.812 10.426 ( 10.097 0.000 2.593) 10.424 10.530 ( -1.487 0.000 -8.342) 8.473 10.945 ( -3.779 0.000 -4.030) 5.524 11.132 ( 4.952 0.000 3.827) 6.258 11.145 ( 2.681 -0.000 -0.632) 2.754 11.242 ( 2.399 0.000 1.175) 2.671 11.659 ( 3.731 -0.000 -5.892) 6.974 11.673 ( 11.102 0.000 4.318) 11.912 11.877 ( -0.522 0.000 3.989) 4.023 12.052 ( -3.437 0.000 1.856) 3.906 12.337 ( -0.064 0.000 -1.159) 1.160 12.450 ( -10.073 0.000 2.625) 10.409 12.709 ( 0.440 -0.000 -2.360) 2.400 12.737 ( 1.198 0.000 -0.063) 1.200 12.890 ( 1.425 -0.000 5.562) 5.742 13.188 ( 6.455 -0.000 0.812) 6.506 13.295 ( 1.438 -0.000 0.998) 1.750 13.353 ( -0.411 0.000 8.112) 8.123 13.521 ( -1.934 0.000 -4.324) 4.737 13.631 ( 0.805 0.000 0.835) 1.160 14.098 ( -4.988 0.000 -0.938) 5.075 14.115 ( -3.217 -0.000 -3.285) 4.598 14.250 ( -1.030 0.000 -6.422) 6.504 14.731 ( 11.488 0.000 3.266) 11.943 14.990 ( -3.730 0.000 -0.249) 3.739 15.280 ( 7.226 0.000 -20.026) 21.290 15.781 ( 2.719 0.000 -0.383) 2.746 15.931 ( -2.234 0.000 2.120) 3.079 16.103 ( -6.799 0.000 1.811) 7.036 16.838 ( -10.854 0.000 -2.075) 11.051 17.223 ( -0.817 0.000 4.992) 5.058 17.683 ( -7.395 -0.000 13.197) 15.128 18.024 ( 12.283 -0.000 -11.775) 17.015 18.346 ( -1.319 0.000 2.564) 2.884 19.630 ( 0.068 0.000 2.249) 2.250 20.694 ( 7.512 0.000 -4.435) 8.723 21.177 ( -9.657 0.000 12.046) 15.439 21.432 ( -3.613 -0.000 -8.385) 9.131 23.297 ( 5.576 0.000 18.855) 19.662 23.871 ( 15.696 0.000 -16.796) 22.989 ======================= Grid point 155 (79/130) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -14.276 0.000 -1.952) 14.409 2.834 ( -3.863 0.000 7.569) 8.497 2.959 ( -7.261 0.000 2.371) 7.639 3.104 ( -20.380 0.000 1.658) 20.447 3.345 ( 13.155 0.000 13.332) 18.730 3.414 ( 5.785 0.000 2.936) 6.487 3.661 ( -13.074 0.000 -5.333) 14.120 4.067 ( 1.918 0.000 -6.907) 7.168 4.637 ( 3.709 0.000 -6.984) 7.908 4.832 ( 4.004 0.000 -8.218) 9.142 5.061 ( 1.440 0.000 7.956) 8.085 5.090 ( 1.533 -0.000 6.616) 6.791 5.339 ( -10.419 0.000 3.032) 10.851 5.529 ( 3.107 0.000 -1.850) 3.617 5.725 ( -1.282 -0.000 -3.459) 3.689 5.845 ( -1.981 0.000 2.329) 3.057 5.953 ( 1.432 0.000 -0.570) 1.542 6.099 ( -9.089 0.000 2.586) 9.450 6.306 ( -1.389 0.000 4.767) 4.965 6.335 ( 3.786 0.000 -6.209) 7.273 6.533 ( 2.657 0.000 -2.821) 3.875 6.730 ( 5.135 0.000 1.048) 5.241 6.766 ( 6.569 -0.000 -10.054) 12.010 6.995 ( -5.760 0.000 1.983) 6.092 7.161 ( -12.866 0.000 6.433) 14.385 7.202 ( -4.627 -0.000 -6.203) 7.739 7.479 ( 4.210 0.000 -4.508) 6.168 7.689 ( -3.326 0.000 0.492) 3.362 7.934 ( 2.290 0.000 1.081) 2.533 7.942 ( 0.838 -0.000 2.313) 2.460 8.210 ( 2.703 0.000 1.998) 3.362 8.324 ( -4.927 0.000 9.900) 11.058 8.416 ( -5.073 -0.000 1.417) 5.268 8.439 ( 3.412 0.000 -4.318) 5.503 8.700 ( -5.910 0.000 -3.308) 6.772 8.848 ( 3.350 -0.000 2.744) 4.330 8.922 ( 2.457 0.000 -3.119) 3.971 9.002 ( -2.415 0.000 -10.909) 11.174 9.017 ( -1.523 0.000 -0.641) 1.653 9.190 ( 2.675 -0.000 4.626) 5.344 9.389 ( 0.703 -0.000 6.454) 6.492 9.412 ( -6.909 0.000 -1.202) 7.012 9.612 ( 5.162 -0.000 -10.122) 11.363 9.846 ( 5.642 0.000 -6.639) 8.713 9.958 ( 8.978 -0.000 2.589) 9.344 9.966 ( 3.053 0.000 7.061) 7.693 9.998 ( 1.222 0.000 0.369) 1.276 10.176 ( 5.282 -0.000 0.635) 5.320 10.397 ( -3.665 0.000 -8.028) 8.825 10.483 ( 2.181 0.000 7.738) 8.039 10.614 ( 6.407 0.000 1.872) 6.675 10.698 ( 17.095 0.000 3.734) 17.498 10.799 ( -3.677 0.000 1.042) 3.822 11.199 ( 1.981 0.000 -1.161) 2.296 11.301 ( 10.836 -0.000 -5.467) 12.137 11.305 ( 4.533 0.000 -1.190) 4.686 11.696 ( 1.780 0.000 -3.132) 3.603 11.856 ( 1.879 -0.000 3.249) 3.754 11.894 ( 1.312 0.000 4.370) 4.563 12.018 ( 4.160 0.000 2.906) 5.075 12.290 ( -7.890 0.000 3.291) 8.549 12.388 ( 5.566 0.000 -3.214) 6.427 12.629 ( -4.301 -0.000 -3.712) 5.682 12.768 ( 1.230 0.000 2.312) 2.619 13.017 ( 5.887 -0.000 8.158) 10.061 13.290 ( -1.907 -0.000 2.253) 2.952 13.318 ( -0.068 -0.000 5.343) 5.344 13.370 ( 6.417 0.000 -0.996) 6.493 13.515 ( 2.309 -0.000 -4.294) 4.876 13.627 ( -1.866 0.000 -0.163) 1.873 13.967 ( -7.776 0.000 -1.441) 7.908 14.048 ( -2.951 0.000 0.749) 3.044 14.191 ( -3.649 0.000 -3.165) 4.830 14.948 ( -0.303 0.000 1.650) 1.677 14.965 ( 11.069 -0.000 5.174) 12.218 15.335 ( 7.551 0.000 -25.114) 26.225 15.722 ( -8.155 0.000 -4.305) 9.222 15.913 ( -0.432 0.000 1.491) 1.552 16.112 ( 6.494 0.000 3.136) 7.211 16.610 ( -11.460 0.000 -3.906) 12.108 17.222 ( -0.126 0.000 1.534) 1.539 17.636 ( -2.678 -0.000 17.381) 17.586 18.131 ( 1.362 0.000 -10.618) 10.705 18.323 ( -2.271 0.000 3.088) 3.833 19.712 ( 9.064 0.000 0.308) 9.069 20.788 ( 2.504 0.000 0.041) 2.505 21.031 ( -9.900 0.000 10.967) 14.774 21.357 ( -0.164 -0.000 -10.153) 10.155 23.412 ( -2.423 0.000 21.556) 21.692 24.127 ( 18.094 0.000 -19.066) 26.285 ======================= Grid point 157 (80/130) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -15.395 0.000 1.078) 15.433 2.651 ( -10.659 0.000 -6.658) 12.568 2.762 ( -13.876 0.000 4.336) 14.537 2.952 ( 0.009 0.000 10.706) 10.706 3.409 ( -7.416 0.000 -9.672) 12.188 3.527 ( 0.975 0.000 0.570) 1.130 3.640 ( 8.257 -0.000 10.471) 13.335 4.111 ( 8.571 0.000 -14.935) 17.219 4.690 ( 4.168 0.000 -3.512) 5.451 4.861 ( 0.103 0.000 -7.483) 7.484 5.130 ( -0.014 -0.000 3.545) 3.545 5.190 ( 4.583 0.000 10.072) 11.066 5.202 ( -1.385 -0.000 11.882) 11.962 5.594 ( 3.725 0.000 -1.739) 4.111 5.680 ( -1.185 -0.000 0.413) 1.255 5.823 ( -2.478 -0.000 -0.701) 2.576 5.911 ( -8.241 0.000 -0.613) 8.264 6.034 ( 6.496 0.000 -2.589) 6.993 6.285 ( -3.500 0.000 10.402) 10.975 6.325 ( -2.762 0.000 -7.223) 7.734 6.583 ( 1.820 0.000 -0.929) 2.043 6.773 ( -0.402 0.000 -3.864) 3.885 6.814 ( -10.954 -0.000 5.618) 12.310 6.866 ( 7.169 -0.000 -8.959) 11.474 7.058 ( -2.085 0.000 4.089) 4.590 7.144 ( 1.258 -0.000 -0.598) 1.393 7.515 ( 1.835 0.000 -7.567) 7.787 7.602 ( -5.619 0.000 -0.345) 5.629 7.944 ( -1.508 -0.000 2.283) 2.736 7.958 ( -1.278 0.000 11.591) 11.661 8.242 ( -5.478 -0.000 3.313) 6.401 8.299 ( 5.887 0.000 -0.344) 5.897 8.337 ( -3.889 0.000 4.784) 6.165 8.463 ( -0.010 -0.000 -6.872) 6.872 8.594 ( -2.092 0.000 -4.494) 4.957 8.846 ( -1.134 0.000 -6.147) 6.251 8.968 ( 3.276 -0.000 1.445) 3.580 9.005 ( 3.342 -0.000 -5.719) 6.624 9.005 ( 0.187 0.000 0.938) 0.956 9.260 ( 0.022 -0.000 8.978) 8.978 9.281 ( -4.008 -0.000 -1.685) 4.347 9.398 ( -1.713 0.000 2.792) 3.275 9.670 ( 4.568 -0.000 -10.485) 11.437 9.917 ( 3.599 -0.000 -3.649) 5.126 10.002 ( -2.268 -0.000 3.201) 3.923 10.044 ( 1.914 0.000 2.733) 3.337 10.152 ( 10.798 0.000 0.900) 10.835 10.229 ( 0.999 0.000 -1.992) 2.229 10.288 ( -3.406 0.000 -7.761) 8.476 10.491 ( -0.579 0.000 7.043) 7.067 10.677 ( 0.243 0.000 1.941) 1.956 10.867 ( 4.461 0.000 4.064) 6.034 10.919 ( 3.660 0.000 -1.138) 3.832 11.260 ( 5.686 0.000 3.165) 6.507 11.399 ( 6.009 0.000 -5.631) 8.236 11.447 ( 7.781 -0.000 -8.010) 11.167 11.710 ( 1.492 0.000 0.060) 1.493 11.850 ( -1.074 0.000 7.363) 7.441 11.941 ( -1.322 -0.000 9.407) 9.499 12.157 ( 5.537 0.000 1.207) 5.667 12.186 ( -3.132 0.000 2.208) 3.832 12.497 ( 6.805 0.000 -4.685) 8.262 12.558 ( -2.181 -0.000 -2.221) 3.113 12.783 ( -0.692 -0.000 0.782) 1.044 13.145 ( 5.295 -0.000 4.374) 6.868 13.162 ( -7.550 -0.000 2.668) 8.008 13.416 ( 4.837 -0.000 2.633) 5.507 13.490 ( 4.278 0.000 -0.270) 4.286 13.511 ( -2.081 -0.000 -2.787) 3.479 13.556 ( -3.580 0.000 -2.549) 4.395 13.836 ( -4.561 0.000 -0.579) 4.598 14.021 ( -1.246 0.000 -0.001) 1.246 14.090 ( -5.538 0.000 3.127) 6.360 15.020 ( 7.410 0.000 2.719) 7.893 15.154 ( 5.452 -0.000 5.605) 7.819 15.360 ( 6.673 0.000 -30.904) 31.617 15.521 ( -10.946 0.000 -0.251) 10.949 15.925 ( 1.199 0.000 0.767) 1.424 16.266 ( 7.059 0.000 0.454) 7.074 16.415 ( -6.533 0.000 -3.653) 7.485 17.251 ( 3.366 0.000 -0.291) 3.378 17.726 ( 3.421 0.000 17.370) 17.703 17.974 ( -11.617 0.000 -8.781) 14.562 18.288 ( -2.545 0.000 2.407) 3.503 19.957 ( 14.638 0.000 2.262) 14.812 20.728 ( -11.253 0.000 9.267) 14.578 20.949 ( -0.558 -0.000 0.477) 0.734 21.366 ( 6.390 0.000 -12.556) 14.088 23.356 ( -12.504 0.000 22.483) 25.726 24.371 ( 15.006 0.000 -18.653) 23.940 ======================= Grid point 189 (81/130) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -1.510 0.000 27.884) 27.924 1.493 ( -2.476 0.000 27.685) 27.796 2.083 ( 2.495 0.000 -17.776) 17.950 2.175 ( 3.082 0.000 -7.355) 7.975 2.508 ( -14.010 0.000 35.594) 38.252 3.266 ( -6.395 0.000 -16.368) 17.573 3.688 ( 13.640 0.000 -14.271) 19.741 3.693 ( 5.299 0.000 -4.088) 6.693 4.787 ( -2.689 0.000 7.522) 7.988 4.895 ( 2.932 0.000 -3.766) 4.773 5.013 ( -1.027 0.000 6.917) 6.993 5.216 ( -2.392 0.000 -12.899) 13.119 5.322 ( 7.080 0.000 -0.033) 7.080 5.328 ( -3.564 0.000 0.442) 3.591 5.726 ( -5.922 0.000 3.135) 6.700 5.792 ( 1.195 0.000 -2.110) 2.425 5.902 ( -8.241 0.000 3.760) 9.058 6.006 ( 2.320 0.000 -5.107) 5.609 6.117 ( -4.677 0.000 5.894) 7.524 6.245 ( 2.393 0.000 -6.243) 6.686 6.471 ( -1.286 0.000 3.471) 3.702 6.492 ( 1.677 0.000 1.626) 2.336 6.544 ( -4.559 0.000 0.543) 4.592 6.558 ( 4.449 0.000 -0.218) 4.455 6.819 ( -9.249 0.000 -0.511) 9.263 6.856 ( 9.662 0.000 -3.576) 10.302 7.090 ( -3.055 0.000 6.680) 7.346 7.232 ( 5.121 0.000 -6.471) 8.253 7.587 ( -1.133 0.000 2.693) 2.921 7.650 ( 0.858 0.000 -3.030) 3.149 8.032 ( 2.383 0.000 2.345) 3.343 8.113 ( -6.455 0.000 -4.685) 7.976 8.273 ( 0.697 0.000 -0.917) 1.152 8.279 ( 0.294 0.000 -1.361) 1.393 8.541 ( 5.200 0.000 2.916) 5.962 8.626 ( -4.908 0.000 -5.119) 7.092 8.896 ( 7.710 0.000 12.027) 14.286 9.034 ( -12.840 0.000 11.573) 17.286 9.115 ( -9.146 0.000 -7.622) 11.906 9.226 ( 2.759 0.000 -6.696) 7.242 9.318 ( 3.954 0.000 -0.158) 3.958 9.344 ( 2.021 0.000 -3.581) 4.112 9.450 ( 10.618 0.000 1.381) 10.707 9.481 ( -6.514 0.000 -0.202) 6.517 9.754 ( -4.625 0.000 17.397) 18.001 10.125 ( 4.929 0.000 2.677) 5.609 10.127 ( -1.295 0.000 -14.682) 14.739 10.219 ( -1.558 0.000 -9.445) 9.573 10.544 ( 0.589 0.000 4.242) 4.283 10.622 ( -1.458 0.000 -3.504) 3.795 10.940 ( 4.121 0.000 4.401) 6.029 11.055 ( -3.264 0.000 -6.612) 7.374 11.346 ( 2.567 0.000 6.421) 6.916 11.472 ( -0.681 0.000 -5.220) 5.264 11.503 ( 0.604 0.000 1.023) 1.188 11.586 ( -0.675 0.000 -6.206) 6.243 11.785 ( -4.498 0.000 3.142) 5.487 11.834 ( 0.370 0.000 -1.594) 1.637 12.100 ( 1.140 0.000 9.459) 9.528 12.252 ( 3.372 0.000 -4.232) 5.411 12.293 ( 17.614 0.000 8.466) 19.543 12.444 ( -7.585 0.000 -6.822) 10.202 12.769 ( 2.113 0.000 5.495) 5.888 12.826 ( 2.781 0.000 0.313) 2.798 13.246 ( 4.872 0.000 2.399) 5.431 13.316 ( -5.607 0.000 -4.371) 7.110 13.657 ( 3.431 0.000 2.053) 3.999 13.676 ( -1.985 0.000 0.138) 1.990 13.756 ( -10.405 0.000 8.921) 13.706 13.923 ( 7.164 0.000 -5.449) 9.001 14.083 ( -5.316 0.000 3.632) 6.438 14.226 ( 0.272 0.000 -7.305) 7.310 14.497 ( 4.012 0.000 1.059) 4.149 14.508 ( -5.001 0.000 -0.952) 5.090 15.557 ( -2.142 0.000 3.229) 3.875 15.628 ( 5.344 0.000 -3.577) 6.431 15.707 ( 2.947 0.000 3.487) 4.566 15.814 ( -4.956 0.000 -6.520) 8.190 16.396 ( 4.344 0.000 0.607) 4.386 16.411 ( -3.860 0.000 -0.814) 3.945 17.396 ( 19.265 0.000 5.587) 20.059 17.545 ( -11.225 0.000 -8.966) 14.366 18.181 ( 0.971 0.000 3.243) 3.385 18.225 ( -0.886 0.000 -1.072) 1.391 19.497 ( -5.756 0.000 0.480) 5.776 19.511 ( 0.336 0.000 -0.752) 0.824 22.223 ( 9.009 0.000 5.050) 10.328 22.351 ( -14.569 0.000 -7.548) 16.408 23.320 ( -16.265 0.000 7.570) 17.940 23.431 ( 7.709 0.000 -3.342) 8.402 ======================= Grid point 190 (82/130) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 10.470 0.000 26.376) 28.379 1.717 ( 21.432 0.000 17.771) 27.842 2.135 ( 10.137 0.000 -23.035) 25.167 2.257 ( 10.478 0.000 -15.340) 18.577 2.494 ( -2.464 0.000 41.875) 41.947 3.058 ( -9.822 0.000 -1.825) 9.991 3.749 ( 2.320 0.000 -6.575) 6.973 3.957 ( 22.443 0.000 -26.766) 34.930 4.798 ( 1.221 0.000 3.577) 3.779 4.927 ( -1.823 0.000 3.367) 3.829 5.046 ( 0.428 0.000 11.478) 11.486 5.125 ( -0.058 0.000 -11.205) 11.205 5.210 ( -5.956 0.000 -2.927) 6.637 5.394 ( 1.833 0.000 -2.532) 3.126 5.652 ( -3.924 0.000 3.594) 5.321 5.758 ( -2.041 0.000 6.381) 6.700 5.855 ( -3.456 0.000 4.727) 5.856 6.054 ( 3.828 0.000 2.131) 4.381 6.067 ( -1.950 0.000 5.475) 5.812 6.181 ( -7.423 0.000 -2.492) 7.830 6.469 ( -0.361 0.000 0.809) 0.886 6.470 ( -0.289 0.000 0.274) 0.398 6.566 ( 3.007 0.000 -0.412) 3.035 6.628 ( -0.847 0.000 5.686) 5.748 6.689 ( 1.034 0.000 -4.203) 4.328 6.981 ( 3.745 0.000 -3.693) 5.260 7.130 ( 4.738 0.000 3.609) 5.956 7.326 ( 6.577 0.000 -7.388) 9.891 7.561 ( -3.550 0.000 3.170) 4.760 7.684 ( 4.026 0.000 -4.556) 6.080 7.984 ( -5.974 0.000 -1.859) 6.256 8.052 ( -1.933 0.000 5.301) 5.643 8.258 ( -2.480 0.000 -1.023) 2.683 8.313 ( 3.950 0.000 -0.139) 3.952 8.521 ( -3.815 0.000 -6.358) 7.415 8.645 ( 4.046 0.000 4.368) 5.954 8.822 ( -12.792 0.000 11.900) 17.471 8.875 ( -10.060 0.000 -6.400) 11.923 9.059 ( 2.569 0.000 10.735) 11.038 9.192 ( -4.072 0.000 -2.962) 5.035 9.296 ( -10.631 0.000 -4.192) 11.428 9.366 ( -1.277 0.000 1.050) 1.653 9.392 ( 4.257 0.000 1.348) 4.466 9.621 ( 5.952 0.000 -3.608) 6.960 9.747 ( -4.537 0.000 18.669) 19.212 9.998 ( -6.087 0.000 -9.909) 11.629 10.178 ( 3.332 0.000 -10.559) 11.073 10.189 ( 0.081 0.000 2.275) 2.277 10.595 ( -1.837 0.000 -3.140) 3.638 10.613 ( 5.515 0.000 5.320) 7.662 10.869 ( -10.335 0.000 -3.423) 10.887 10.907 ( -9.274 0.000 -1.531) 9.400 11.319 ( -6.315 0.000 6.170) 8.829 11.388 ( -6.798 0.000 -3.536) 7.663 11.419 ( -5.916 0.000 0.304) 5.924 11.529 ( -0.976 0.000 -6.488) 6.561 11.812 ( 3.720 0.000 2.526) 4.497 11.946 ( 9.503 0.000 2.637) 9.862 12.118 ( -2.751 0.000 2.868) 3.974 12.136 ( -14.979 0.000 -5.052) 15.808 12.388 ( 8.546 0.000 -11.006) 13.934 12.485 ( 2.284 0.000 1.721) 2.860 12.838 ( 2.003 0.000 0.529) 2.072 12.910 ( 5.653 0.000 -5.040) 7.573 13.129 ( -12.862 0.000 -0.377) 12.867 13.351 ( -0.435 0.000 4.361) 4.382 13.553 ( -9.151 0.000 3.589) 9.830 13.646 ( -0.487 0.000 -0.900) 1.023 13.866 ( 14.013 0.000 -3.628) 14.475 14.017 ( 1.360 0.000 -4.080) 4.300 14.087 ( 5.927 0.000 7.144) 9.283 14.190 ( -1.901 0.000 6.998) 7.251 14.479 ( 3.742 0.000 -4.487) 5.842 14.555 ( 1.263 0.000 1.045) 1.640 15.540 ( -0.493 0.000 0.125) 0.508 15.657 ( -0.829 0.000 -1.735) 1.923 15.755 ( 1.429 0.000 -7.940) 8.067 15.801 ( 4.235 0.000 4.991) 6.546 16.312 ( -5.455 0.000 0.373) 5.468 16.473 ( 3.587 0.000 -0.961) 3.713 17.296 ( -9.350 0.000 -13.485) 16.409 17.633 ( 2.910 0.000 4.760) 5.579 18.203 ( 0.068 0.000 3.187) 3.188 18.208 ( -0.302 0.000 -1.985) 2.007 19.568 ( 12.873 0.000 -0.796) 12.897 19.568 ( 4.326 0.000 2.300) 4.899 21.998 ( -18.085 0.000 0.093) 18.085 22.338 ( 0.465 0.000 8.642) 8.654 23.135 ( -8.209 0.000 12.718) 15.137 23.562 ( 5.501 0.000 0.516) 5.525 ======================= Grid point 191 (83/130) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 11.680 0.000 18.651) 22.006 2.159 ( 15.515 0.000 14.271) 21.080 2.222 ( 8.132 0.000 -21.945) 23.404 2.453 ( 15.252 0.000 -12.703) 19.849 2.796 ( 21.956 0.000 22.330) 31.316 2.975 ( 1.337 0.000 6.793) 6.923 3.728 ( -1.151 0.000 -6.962) 7.056 4.263 ( 20.112 0.000 -31.756) 37.589 4.857 ( -7.145 0.000 4.334) 8.356 4.862 ( 4.634 0.000 2.566) 5.297 4.995 ( -7.173 0.000 -0.761) 7.214 5.087 ( -2.202 0.000 12.469) 12.662 5.280 ( 10.801 0.000 -6.231) 12.470 5.434 ( 4.466 0.000 -1.225) 4.631 5.596 ( -1.825 0.000 -1.453) 2.333 5.639 ( -13.236 0.000 5.585) 14.366 5.879 ( 3.503 0.000 5.646) 6.644 5.984 ( -11.685 0.000 0.193) 11.687 6.070 ( -0.663 0.000 6.080) 6.116 6.133 ( 0.603 0.000 8.863) 8.883 6.465 ( 1.851 0.000 -2.816) 3.370 6.518 ( 5.707 0.000 -1.088) 5.810 6.621 ( 3.578 0.000 -0.847) 3.677 6.651 ( 2.886 0.000 2.333) 3.711 6.755 ( 3.780 0.000 0.679) 3.840 7.010 ( 1.328 0.000 -3.368) 3.621 7.219 ( 3.588 0.000 -0.885) 3.695 7.398 ( 3.457 0.000 -5.461) 6.463 7.468 ( -7.317 0.000 4.827) 8.765 7.749 ( 5.077 0.000 -7.955) 9.437 7.869 ( -5.980 0.000 -0.086) 5.981 8.004 ( -5.362 0.000 4.090) 6.744 8.179 ( -4.879 0.000 -0.870) 4.956 8.374 ( -0.182 0.000 2.733) 2.739 8.431 ( -4.397 0.000 -2.769) 5.197 8.674 ( -4.763 0.000 1.685) 5.052 8.698 ( -1.857 0.000 4.647) 5.004 8.751 ( 0.265 0.000 -0.318) 0.414 9.043 ( -7.418 0.000 2.603) 7.861 9.099 ( -6.652 0.000 -2.241) 7.019 9.100 ( -4.079 0.000 -1.812) 4.463 9.271 ( -9.737 0.000 4.789) 10.851 9.502 ( 4.829 0.000 7.628) 9.027 9.649 ( 1.461 0.000 -8.468) 8.593 9.726 ( -4.427 0.000 15.681) 16.294 9.842 ( -7.731 0.000 -3.012) 8.297 10.146 ( -4.350 0.000 -0.654) 4.399 10.262 ( 6.663 0.000 -8.946) 11.155 10.507 ( -5.636 0.000 -3.406) 6.585 10.650 ( -12.905 0.000 -7.810) 15.085 10.713 ( -4.446 0.000 -0.464) 4.470 10.770 ( 7.291 0.000 5.103) 8.899 11.219 ( -5.910 0.000 5.666) 8.187 11.256 ( -7.300 0.000 -3.524) 8.106 11.298 ( -6.113 0.000 3.277) 6.936 11.501 ( 0.405 0.000 -8.233) 8.243 11.818 ( -15.262 0.000 -5.977) 16.391 11.855 ( -2.895 0.000 -1.455) 3.240 12.069 ( 0.726 0.000 0.611) 0.949 12.134 ( 7.839 0.000 3.512) 8.590 12.479 ( -3.077 0.000 2.405) 3.905 12.500 ( 2.431 0.000 -7.014) 7.424 12.877 ( 2.588 0.000 1.550) 3.017 12.894 ( -4.129 0.000 9.569) 10.422 13.013 ( 3.197 0.000 -10.224) 10.712 13.237 ( -11.108 0.000 6.409) 12.824 13.377 ( -9.516 0.000 -3.277) 10.065 13.632 ( -1.135 0.000 0.155) 1.146 13.991 ( -2.189 0.000 0.276) 2.207 14.073 ( 8.230 0.000 -1.477) 8.361 14.272 ( 9.287 0.000 4.598) 10.363 14.278 ( 7.000 0.000 3.616) 7.878 14.551 ( -1.499 0.000 -0.202) 1.512 14.584 ( 8.222 0.000 -3.555) 8.958 15.522 ( -0.850 0.000 -5.066) 5.137 15.639 ( -1.049 0.000 3.713) 3.858 15.733 ( -1.289 0.000 -9.408) 9.496 15.863 ( 0.150 0.000 3.211) 3.214 16.273 ( 1.579 0.000 5.331) 5.560 16.525 ( 3.398 0.000 -4.358) 5.526 17.120 ( -3.541 0.000 -15.216) 15.622 17.601 ( -8.093 0.000 12.340) 14.757 18.196 ( 0.168 0.000 -2.786) 2.791 18.211 ( -0.677 0.000 4.205) 4.259 19.653 ( 2.457 0.000 5.847) 6.342 19.870 ( 19.276 0.000 -11.906) 22.657 21.734 ( -10.249 0.000 1.271) 10.327 22.322 ( -5.442 0.000 9.165) 10.659 23.067 ( -4.978 0.000 12.838) 13.769 23.604 ( -1.127 0.000 -0.703) 1.328 ======================= Grid point 192 (84/130) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 2.815 0.000 -11.180) 11.529 2.430 ( 15.448 0.000 10.028) 18.417 2.431 ( 9.282 0.000 11.745) 14.970 2.682 ( 11.980 0.000 -7.346) 14.053 3.103 ( 7.450 0.000 1.988) 7.711 3.307 ( 19.564 0.000 -2.211) 19.689 3.741 ( 10.405 0.000 -3.244) 10.899 4.429 ( 10.839 0.000 -26.577) 28.702 4.664 ( -10.958 0.000 -1.826) 11.109 4.956 ( 0.142 0.000 3.750) 3.753 4.958 ( -0.796 0.000 9.028) 9.063 5.024 ( -7.397 0.000 7.588) 10.597 5.345 ( -15.469 0.000 5.271) 16.343 5.478 ( 7.621 0.000 -3.337) 8.319 5.485 ( -4.133 0.000 1.731) 4.481 5.643 ( 8.293 0.000 -1.276) 8.391 5.824 ( -0.195 0.000 -3.947) 3.952 5.973 ( 4.308 0.000 2.630) 5.048 6.101 ( 1.806 0.000 6.481) 6.728 6.136 ( -3.676 0.000 10.800) 11.408 6.536 ( 6.238 0.000 -2.153) 6.599 6.650 ( 7.911 0.000 -2.641) 8.340 6.714 ( 7.790 0.000 -3.424) 8.509 6.724 ( 3.384 0.000 2.045) 3.954 6.819 ( 2.718 0.000 1.748) 3.232 7.002 ( -1.857 0.000 1.131) 2.174 7.239 ( -1.150 0.000 -4.261) 4.414 7.391 ( -1.352 0.000 6.832) 6.964 7.401 ( -2.202 0.000 -0.794) 2.341 7.751 ( -3.741 0.000 -4.824) 6.104 7.813 ( 2.833 0.000 -6.207) 6.823 7.877 ( -8.939 0.000 1.944) 9.148 8.101 ( -2.339 0.000 -0.587) 2.411 8.316 ( -7.595 0.000 3.553) 8.385 8.339 ( -2.546 0.000 0.702) 2.641 8.591 ( -3.235 0.000 0.112) 3.237 8.729 ( -5.487 0.000 1.009) 5.579 8.765 ( 4.966 0.000 -4.468) 6.680 8.908 ( -3.988 0.000 -0.020) 3.988 9.011 ( -3.231 0.000 0.408) 3.256 9.026 ( -3.741 0.000 -0.607) 3.790 9.106 ( -7.004 0.000 4.353) 8.247 9.585 ( -0.679 0.000 9.762) 9.786 9.646 ( -0.003 0.000 -4.227) 4.227 9.704 ( -5.330 0.000 2.114) 5.733 9.723 ( -0.752 0.000 11.662) 11.686 10.057 ( -3.650 0.000 -1.435) 3.922 10.239 ( -7.171 0.000 -0.953) 7.234 10.405 ( -1.914 0.000 -10.095) 10.275 10.408 ( -9.697 0.000 -7.041) 11.984 10.723 ( 4.069 0.000 2.106) 4.582 10.874 ( 1.013 0.000 1.995) 2.237 11.071 ( -8.343 0.000 -3.924) 9.220 11.155 ( -2.919 0.000 4.021) 4.969 11.257 ( -1.402 0.000 5.260) 5.443 11.453 ( -3.117 0.000 -7.719) 8.325 11.546 ( -10.832 0.000 -3.262) 11.312 11.716 ( -6.352 0.000 -8.931) 10.960 12.153 ( 4.827 0.000 3.801) 6.144 12.227 ( -0.911 0.000 2.949) 3.086 12.404 ( -5.284 0.000 1.749) 5.566 12.411 ( -5.009 0.000 2.801) 5.739 12.953 ( 3.928 0.000 0.531) 3.964 12.959 ( -1.256 0.000 -1.561) 2.004 13.018 ( -11.966 0.000 2.927) 12.319 13.057 ( 8.692 0.000 -0.863) 8.735 13.254 ( -0.999 0.000 -3.826) 3.954 13.610 ( -1.019 0.000 1.633) 1.925 13.958 ( -1.574 0.000 3.794) 4.107 14.179 ( 3.054 0.000 1.938) 3.617 14.400 ( 1.345 0.000 -2.267) 2.636 14.407 ( 5.698 0.000 -0.769) 5.749 14.551 ( 3.940 0.000 0.998) 4.064 14.718 ( 6.110 0.000 -1.211) 6.229 15.468 ( -1.944 0.000 -7.303) 7.557 15.612 ( -5.538 0.000 -3.309) 6.451 15.661 ( -0.833 0.000 1.196) 1.458 15.852 ( -1.440 0.000 1.921) 2.401 16.407 ( 8.946 0.000 6.988) 11.352 16.581 ( 4.886 0.000 -6.053) 7.779 17.032 ( -0.130 0.000 -14.643) 14.644 17.453 ( -12.886 0.000 14.004) 19.030 18.203 ( 1.949 0.000 -3.284) 3.819 18.208 ( -1.742 0.000 5.899) 6.151 19.702 ( -0.105 0.000 9.583) 9.583 20.135 ( 14.499 0.000 -19.717) 24.474 21.621 ( -2.190 0.000 0.993) 2.405 22.216 ( -8.996 0.000 7.318) 11.596 23.037 ( -3.654 0.000 13.415) 13.904 23.534 ( -4.325 0.000 -5.176) 6.744 ======================= Grid point 193 (85/130) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 5.417 0.000 -4.377) 6.964 2.561 ( -0.493 0.000 0.863) 0.994 2.772 ( 15.979 0.000 9.173) 18.424 2.823 ( 6.326 0.000 -0.812) 6.378 3.199 ( 3.534 0.000 -7.698) 8.470 3.416 ( 0.321 0.000 -10.959) 10.964 4.086 ( 17.064 0.000 1.386) 17.120 4.530 ( 9.388 0.000 -17.163) 19.563 4.563 ( 4.677 0.000 -1.434) 4.892 4.768 ( -15.159 0.000 4.949) 15.947 4.917 ( -10.049 0.000 5.286) 11.355 4.951 ( -9.196 0.000 5.200) 10.564 5.140 ( -3.059 0.000 5.756) 6.518 5.358 ( -5.733 0.000 0.628) 5.767 5.588 ( 3.198 0.000 2.103) 3.827 5.734 ( 3.337 0.000 -6.166) 7.011 5.984 ( 12.037 0.000 -1.222) 12.099 6.067 ( 5.693 0.000 -1.774) 5.964 6.099 ( -4.378 0.000 10.550) 11.422 6.166 ( 1.561 0.000 5.285) 5.510 6.652 ( 5.414 0.000 -0.413) 5.430 6.758 ( 4.768 0.000 -5.008) 6.915 6.784 ( 2.530 0.000 1.236) 2.816 6.878 ( 6.974 0.000 -2.723) 7.487 6.882 ( 3.169 0.000 4.186) 5.250 6.968 ( 1.841 0.000 -0.507) 1.909 7.188 ( -2.856 0.000 2.109) 3.551 7.298 ( -9.721 0.000 5.239) 11.043 7.435 ( 2.327 0.000 3.602) 4.288 7.684 ( -0.859 0.000 -6.343) 6.401 7.730 ( -6.368 0.000 2.674) 6.907 7.817 ( 0.141 0.000 -6.854) 6.855 8.107 ( 3.740 0.000 -3.272) 4.969 8.189 ( -7.186 0.000 3.848) 8.152 8.317 ( 0.385 0.000 -0.313) 0.496 8.545 ( -7.979 0.000 -5.198) 9.522 8.562 ( -4.277 0.000 5.149) 6.694 8.730 ( -2.825 0.000 -7.906) 8.395 8.926 ( -0.381 0.000 2.804) 2.830 8.974 ( -1.186 0.000 -0.891) 1.483 9.018 ( 5.904 0.000 -2.472) 6.400 9.050 ( -2.547 0.000 5.520) 6.080 9.576 ( -2.164 0.000 7.306) 7.620 9.578 ( -4.813 0.000 6.467) 8.061 9.712 ( 3.205 0.000 -0.361) 3.225 9.772 ( 1.448 0.000 6.289) 6.453 10.007 ( -2.669 0.000 1.501) 3.062 10.072 ( -9.052 0.000 1.904) 9.250 10.239 ( -5.252 0.000 -4.572) 6.964 10.338 ( -1.317 0.000 -9.978) 10.064 10.804 ( 2.028 0.000 2.149) 2.954 10.820 ( -3.261 0.000 -5.138) 6.085 10.986 ( -2.735 0.000 8.854) 9.267 11.129 ( -1.091 0.000 0.061) 1.093 11.213 ( -4.982 0.000 0.006) 4.982 11.327 ( -5.075 0.000 -8.834) 10.188 11.444 ( 0.533 0.000 0.727) 0.901 11.606 ( -2.276 0.000 -8.010) 8.327 12.156 ( -5.198 0.000 7.287) 8.951 12.240 ( 2.010 0.000 5.152) 5.530 12.322 ( -2.791 0.000 0.059) 2.791 12.395 ( -0.316 0.000 2.194) 2.217 12.794 ( -8.355 0.000 -4.770) 9.621 12.841 ( -7.479 0.000 -5.760) 9.440 13.086 ( 6.984 0.000 2.563) 7.439 13.196 ( 3.121 0.000 1.419) 3.429 13.307 ( 7.369 0.000 -2.734) 7.860 13.608 ( -1.139 0.000 0.068) 1.141 13.990 ( 3.290 0.000 9.171) 9.743 14.205 ( -1.042 0.000 2.732) 2.924 14.361 ( -0.854 0.000 -7.266) 7.316 14.467 ( 0.843 0.000 -2.973) 3.091 14.665 ( 5.543 0.000 2.036) 5.905 14.786 ( 1.185 0.000 0.296) 1.222 15.408 ( -1.526 0.000 -5.921) 6.114 15.470 ( -5.293 0.000 -8.637) 10.130 15.674 ( -0.878 0.000 9.246) 9.287 15.841 ( -0.025 0.000 -0.280) 0.282 16.603 ( 6.988 0.000 6.811) 9.758 16.656 ( 5.028 0.000 -4.820) 6.965 17.007 ( 4.360 0.000 -13.275) 13.972 17.238 ( -14.858 0.000 11.120) 18.558 18.191 ( -2.847 0.000 7.481) 8.005 18.238 ( 2.799 0.000 -3.337) 4.355 19.738 ( -0.307 0.000 13.089) 13.093 20.246 ( 6.694 0.000 -24.753) 25.642 21.665 ( 6.344 0.000 1.648) 6.554 22.049 ( -10.832 0.000 3.862) 11.500 23.036 ( -2.091 0.000 14.690) 14.839 23.428 ( -3.656 0.000 -8.436) 9.194 ======================= Grid point 194 (86/130) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 5.377 0.000 3.909) 6.648 2.411 ( -12.290 0.000 -4.985) 13.263 2.953 ( 6.053 0.000 4.701) 7.665 3.025 ( 3.069 0.000 8.253) 8.805 3.221 ( 6.964 0.000 -13.606) 15.284 3.275 ( -10.214 0.000 -12.435) 16.092 4.294 ( 3.224 0.000 9.119) 9.672 4.431 ( -15.651 0.000 -2.599) 15.866 4.665 ( -7.754 0.000 4.442) 8.936 4.679 ( -0.671 0.000 1.915) 2.029 4.795 ( 5.684 0.000 -4.107) 7.013 4.862 ( 12.118 0.000 -4.625) 12.970 5.211 ( 6.583 0.000 2.764) 7.140 5.307 ( 0.035 0.000 -5.021) 5.021 5.626 ( 0.484 0.000 3.180) 3.217 5.728 ( -2.025 0.000 -5.497) 5.858 6.061 ( -2.404 0.000 5.679) 6.166 6.130 ( -3.093 0.000 0.836) 3.204 6.147 ( 4.060 0.000 3.665) 5.470 6.190 ( 3.213 0.000 -1.139) 3.409 6.690 ( -2.314 0.000 2.716) 3.568 6.793 ( 0.333 0.000 -6.708) 6.716 6.840 ( -3.318 0.000 0.486) 3.353 6.844 ( 3.808 0.000 -0.242) 3.815 6.959 ( 0.256 0.000 7.894) 7.899 7.047 ( -4.516 0.000 1.892) 4.896 7.106 ( -10.638 0.000 7.170) 12.829 7.229 ( 10.127 0.000 -3.660) 10.769 7.496 ( 3.181 0.000 4.530) 5.536 7.661 ( 1.063 0.000 -8.737) 8.801 7.668 ( -2.651 0.000 5.060) 5.712 7.787 ( 0.043 0.000 -5.387) 5.388 8.092 ( -4.082 0.000 3.032) 5.085 8.192 ( 6.481 0.000 -7.466) 9.887 8.357 ( 4.125 0.000 -0.136) 4.127 8.374 ( -5.393 0.000 0.276) 5.400 8.559 ( -0.005 0.000 2.607) 2.607 8.670 ( -0.168 0.000 -6.705) 6.707 8.914 ( -0.870 0.000 2.680) 2.817 8.966 ( 0.808 0.000 -2.026) 2.181 9.023 ( -2.928 0.000 4.950) 5.751 9.124 ( 5.072 0.000 -4.625) 6.864 9.559 ( 0.492 0.000 6.964) 6.981 9.590 ( 1.198 0.000 4.306) 4.470 9.781 ( 3.504 0.000 0.251) 3.513 9.800 ( -0.923 0.000 -1.049) 1.398 9.967 ( -1.814 0.000 2.647) 3.209 9.978 ( 1.800 0.000 1.207) 2.168 10.170 ( -3.057 0.000 2.490) 3.942 10.275 ( -2.229 0.000 -7.197) 7.534 10.780 ( -4.589 0.000 1.182) 4.739 10.809 ( 3.754 0.000 -0.841) 3.847 10.987 ( -1.225 0.000 9.406) 9.485 11.126 ( 2.440 0.000 -3.084) 3.932 11.138 ( -1.755 0.000 0.649) 1.871 11.250 ( -0.055 0.000 -9.283) 9.283 11.487 ( 1.933 0.000 1.177) 2.263 11.543 ( -2.054 0.000 -5.102) 5.500 12.154 ( 2.449 0.000 7.724) 8.103 12.253 ( 0.257 0.000 -0.211) 0.332 12.335 ( 1.954 0.000 2.810) 3.422 12.373 ( -2.959 0.000 1.408) 3.277 12.671 ( -3.869 0.000 0.395) 3.889 12.687 ( -6.067 0.000 -1.181) 6.181 13.207 ( 0.348 0.000 -4.550) 4.563 13.239 ( 9.559 0.000 -5.125) 10.847 13.474 ( 9.792 0.000 0.195) 9.794 13.511 ( -8.479 0.000 -2.440) 8.823 14.127 ( 4.477 0.000 10.546) 11.457 14.170 ( -4.578 0.000 7.291) 8.609 14.362 ( 4.336 0.000 -5.579) 7.066 14.408 ( -3.393 0.000 -11.222) 11.723 14.746 ( 1.983 0.000 2.388) 3.104 14.768 ( -3.175 0.000 0.978) 3.322 15.371 ( -0.134 0.000 -3.964) 3.966 15.376 ( -1.728 0.000 -5.766) 6.019 15.695 ( -0.724 0.000 10.431) 10.456 15.846 ( 1.116 0.000 -3.055) 3.252 16.643 ( -4.722 0.000 4.695) 6.659 16.722 ( 3.214 0.000 -1.859) 3.713 16.993 ( -14.653 0.000 6.875) 16.186 17.147 ( 14.395 0.000 -8.744) 16.843 18.162 ( -3.389 0.000 8.051) 8.735 18.274 ( 2.282 0.000 -3.136) 3.879 19.797 ( 0.674 0.000 14.892) 14.907 20.218 ( 1.610 0.000 -26.275) 26.324 21.852 ( 12.226 0.000 1.070) 12.272 21.857 ( -10.027 0.000 0.249) 10.030 23.076 ( 0.038 0.000 16.260) 16.260 23.341 ( -1.803 0.000 -9.764) 9.929 ======================= Grid point 195 (87/130) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -15.145 0.000 0.732) 15.163 2.349 ( -2.786 0.000 10.212) 10.585 2.946 ( -9.002 0.000 2.595) 9.368 2.976 ( -12.659 0.000 -11.016) 16.781 3.088 ( 4.317 0.000 0.979) 4.426 3.353 ( 8.297 0.000 -9.600) 12.688 4.059 ( -23.524 0.000 3.062) 23.722 4.192 ( -16.256 0.000 14.921) 22.066 4.569 ( 2.396 0.000 -3.401) 4.160 4.852 ( 16.797 0.000 -2.542) 16.988 5.023 ( 3.979 0.000 -0.597) 4.023 5.025 ( 14.991 0.000 -4.763) 15.729 5.299 ( 2.387 0.000 -8.111) 8.455 5.365 ( 6.665 0.000 1.992) 6.956 5.608 ( -9.552 0.000 0.262) 9.555 5.671 ( 5.526 0.000 -3.331) 6.453 5.950 ( -15.222 0.000 3.045) 15.524 6.052 ( -0.064 0.000 0.087) 0.108 6.180 ( -1.398 0.000 3.731) 3.984 6.257 ( 3.377 0.000 -2.768) 4.366 6.600 ( -8.058 0.000 7.444) 10.970 6.676 ( -8.373 0.000 -2.625) 8.775 6.819 ( -9.122 0.000 2.448) 9.445 6.845 ( 1.906 0.000 -4.215) 4.625 6.917 ( -8.005 0.000 2.704) 8.449 6.947 ( 3.224 0.000 2.337) 3.982 7.085 ( 0.959 0.000 7.195) 7.259 7.348 ( 2.258 0.000 -1.299) 2.605 7.593 ( 3.102 0.000 2.318) 3.872 7.641 ( 0.748 0.000 -11.314) 11.338 7.667 ( 2.339 0.000 6.515) 6.922 7.809 ( 4.864 0.000 -4.483) 6.614 8.065 ( -0.046 0.000 1.449) 1.450 8.243 ( 1.562 0.000 -2.595) 3.028 8.391 ( 7.013 0.000 -5.098) 8.671 8.465 ( 6.178 0.000 1.624) 6.388 8.586 ( 1.650 0.000 5.180) 5.436 8.687 ( 5.222 0.000 -6.045) 7.988 8.927 ( 1.128 0.000 2.905) 3.116 8.972 ( -1.895 0.000 -0.818) 2.064 8.988 ( 0.586 0.000 -0.179) 0.613 9.160 ( 1.081 0.000 -4.378) 4.510 9.634 ( 1.260 0.000 2.474) 2.776 9.648 ( 6.412 0.000 1.836) 6.670 9.728 ( -4.443 0.000 -1.744) 4.773 9.829 ( 2.458 0.000 -0.530) 2.515 10.046 ( 7.751 0.000 2.360) 8.102 10.069 ( 0.798 0.000 6.637) 6.685 10.166 ( 5.894 0.000 0.330) 5.903 10.189 ( -4.502 0.000 -3.417) 5.652 10.720 ( -0.682 0.000 2.646) 2.733 10.863 ( -0.534 0.000 -2.314) 2.375 11.045 ( 4.856 0.000 6.454) 8.077 11.185 ( 2.210 0.000 -7.688) 7.999 11.187 ( 6.563 0.000 5.114) 8.321 11.229 ( 3.296 0.000 -2.992) 4.451 11.496 ( -0.588 0.000 -5.034) 5.069 11.502 ( -0.803 0.000 2.589) 2.711 12.271 ( 0.907 0.000 2.134) 2.319 12.279 ( 2.395 0.000 -2.583) 3.522 12.321 ( 2.778 0.000 1.643) 3.228 12.376 ( 1.565 0.000 1.775) 2.367 12.645 ( -1.164 0.000 9.156) 9.230 12.655 ( 3.234 0.000 4.463) 5.512 13.215 ( 3.615 0.000 -8.650) 9.375 13.306 ( -11.212 0.000 -2.117) 11.410 13.379 ( 7.531 0.000 -10.830) 13.191 13.617 ( 4.085 0.000 -2.147) 4.615 14.096 ( -6.484 0.000 12.676) 14.238 14.187 ( -0.544 0.000 4.778) 4.809 14.319 ( 1.313 0.000 -16.863) 16.914 14.436 ( 1.917 0.000 0.102) 1.919 14.685 ( -5.637 0.000 0.615) 5.670 14.757 ( -1.822 0.000 2.613) 3.186 15.348 ( -0.247 0.000 -1.100) 1.128 15.391 ( 3.689 0.000 -0.866) 3.790 15.734 ( 0.996 0.000 9.534) 9.585 15.848 ( 0.645 0.000 -6.222) 6.256 16.528 ( -8.419 0.000 6.847) 10.852 16.736 ( -7.646 0.000 -5.495) 9.416 16.773 ( -4.504 0.000 9.935) 10.909 17.411 ( 15.665 0.000 -6.988) 17.152 18.129 ( -3.228 0.000 7.483) 8.149 18.295 ( 1.020 0.000 -2.698) 2.884 19.861 ( -0.376 0.000 13.550) 13.555 20.130 ( -0.162 0.000 -24.920) 24.921 21.699 ( -5.659 0.000 -2.095) 6.034 22.102 ( 13.685 0.000 -0.969) 13.719 23.168 ( 3.052 0.000 17.413) 17.678 23.287 ( 0.098 0.000 -9.864) 9.864 ======================= Grid point 196 (88/130) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -13.361 0.000 11.438) 17.588 2.205 ( -17.338 0.000 15.875) 23.508 2.685 ( -11.930 0.000 -14.139) 18.500 2.776 ( -10.948 0.000 1.165) 11.009 3.166 ( 2.350 0.000 -4.098) 4.724 3.434 ( 5.011 0.000 -14.272) 15.126 3.655 ( -17.267 0.000 2.391) 17.431 3.883 ( -23.612 0.000 25.129) 34.482 4.696 ( 11.092 0.000 -5.129) 12.221 5.024 ( -2.483 0.000 -2.610) 3.603 5.152 ( 0.183 0.000 -8.311) 8.313 5.160 ( 15.644 0.000 -5.170) 16.476 5.386 ( -13.499 0.000 4.328) 14.176 5.430 ( -0.373 0.000 6.310) 6.321 5.454 ( 16.065 0.000 -4.345) 16.642 5.625 ( -14.128 0.000 1.254) 14.184 5.848 ( 10.684 0.000 -5.941) 12.225 6.040 ( -1.161 0.000 -2.636) 2.880 6.157 ( -1.361 0.000 1.451) 1.990 6.293 ( 1.375 0.000 0.710) 1.548 6.492 ( -6.334 0.000 5.511) 8.396 6.508 ( -7.818 0.000 -0.032) 7.818 6.662 ( -7.934 0.000 1.543) 8.082 6.770 ( -7.261 0.000 1.330) 7.382 6.867 ( 0.730 0.000 -4.939) 4.993 6.985 ( -1.583 0.000 4.479) 4.750 7.149 ( 4.072 0.000 2.635) 4.850 7.331 ( -3.597 0.000 3.282) 4.869 7.609 ( -1.131 0.000 5.499) 5.614 7.616 ( 2.094 0.000 -12.202) 12.380 7.793 ( 7.110 0.000 -0.309) 7.117 7.928 ( 8.666 0.000 -3.266) 9.261 8.092 ( 2.562 0.000 0.759) 2.673 8.277 ( 2.547 0.000 0.991) 2.733 8.517 ( 7.475 0.000 -8.515) 11.331 8.563 ( 3.824 0.000 1.016) 3.957 8.662 ( 4.336 0.000 4.281) 6.093 8.800 ( 5.945 0.000 -4.040) 7.188 8.939 ( 0.816 0.000 -2.561) 2.688 8.993 ( 5.480 0.000 2.804) 6.156 9.018 ( 2.580 0.000 -0.231) 2.591 9.163 ( 1.817 0.000 -1.244) 2.202 9.566 ( -8.044 0.000 3.226) 8.666 9.736 ( 4.440 0.000 0.552) 4.474 9.769 ( 5.566 0.000 -6.402) 8.483 9.894 ( 5.039 0.000 -3.250) 5.996 10.060 ( -4.168 0.000 13.492) 14.121 10.071 ( -1.666 0.000 -3.598) 3.965 10.254 ( 8.570 0.000 7.371) 11.304 10.331 ( 9.062 0.000 -2.820) 9.491 10.795 ( -3.784 0.000 -4.549) 5.917 10.797 ( 6.222 0.000 5.793) 8.501 11.125 ( -2.313 0.000 -8.163) 8.484 11.167 ( 5.761 0.000 4.575) 7.357 11.350 ( 4.429 0.000 1.134) 4.572 11.360 ( 8.204 0.000 0.447) 8.216 11.493 ( 2.640 0.000 -3.549) 4.423 11.559 ( 9.310 0.000 5.936) 11.042 12.182 ( -6.407 0.000 1.337) 6.544 12.274 ( -2.969 0.000 -0.294) 2.983 12.416 ( 1.551 0.000 -0.128) 1.557 12.460 ( 7.309 0.000 -3.812) 8.243 12.686 ( 0.479 0.000 14.085) 14.093 12.851 ( 12.908 0.000 7.213) 14.787 13.086 ( -8.902 0.000 -1.077) 8.967 13.311 ( 9.097 0.000 -9.025) 12.815 13.367 ( -3.894 0.000 -19.134) 19.526 13.620 ( -0.385 0.000 0.152) 0.414 14.062 ( -1.918 0.000 5.603) 5.923 14.153 ( -5.311 0.000 3.513) 6.368 14.340 ( 4.882 0.000 -8.085) 9.445 14.404 ( -4.132 0.000 0.718) 4.194 14.583 ( -4.117 0.000 -1.685) 4.448 14.691 ( -6.468 0.000 1.610) 6.665 15.353 ( 0.512 0.000 3.127) 3.168 15.492 ( 5.546 0.000 3.110) 6.359 15.811 ( 3.802 0.000 6.713) 7.715 15.813 ( -1.520 0.000 -8.079) 8.221 16.423 ( -5.157 0.000 9.066) 10.430 16.526 ( -9.633 0.000 -3.343) 10.197 16.784 ( -0.801 0.000 8.548) 8.585 17.647 ( 11.597 0.000 -6.614) 13.350 18.103 ( -2.133 0.000 6.545) 6.884 18.292 ( -0.291 0.000 -2.109) 2.129 19.859 ( -5.018 0.000 8.879) 10.199 20.024 ( -1.588 0.000 -21.951) 22.009 21.653 ( 2.212 0.000 -2.638) 3.443 22.332 ( 11.226 0.000 -3.598) 11.789 23.268 ( 1.779 0.000 -9.252) 9.421 23.328 ( 6.975 0.000 16.158) 17.600 ======================= Grid point 197 (89/130) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -12.957 0.000 23.486) 26.823 1.889 ( -22.561 0.000 22.522) 31.878 2.422 ( -9.749 0.000 -17.513) 20.044 2.498 ( -16.924 0.000 -4.505) 17.513 3.050 ( -15.787 0.000 2.541) 15.990 3.388 ( 3.034 0.000 -30.927) 31.075 3.548 ( -0.826 0.000 9.926) 9.960 3.619 ( -11.518 0.000 25.708) 28.170 4.888 ( 8.684 0.000 -1.724) 8.853 4.942 ( -3.534 0.000 -4.835) 5.989 5.071 ( -5.111 0.000 -2.070) 5.515 5.158 ( -9.517 0.000 1.873) 9.699 5.315 ( 2.641 0.000 -9.416) 9.780 5.412 ( -4.997 0.000 1.176) 5.133 5.523 ( 6.046 0.000 5.327) 8.058 5.755 ( 15.226 0.000 -4.413) 15.852 5.977 ( -4.631 0.000 -1.991) 5.040 6.033 ( 9.517 0.000 -3.873) 10.275 6.152 ( 1.126 0.000 -2.055) 2.343 6.314 ( -1.844 0.000 -7.066) 7.303 6.384 ( -4.896 0.000 11.598) 12.589 6.417 ( -1.670 0.000 1.131) 2.017 6.561 ( -3.438 0.000 2.561) 4.287 6.655 ( -5.177 0.000 2.477) 5.739 6.838 ( -1.507 0.000 -7.173) 7.330 6.947 ( -3.082 0.000 3.536) 4.690 7.221 ( 2.376 0.000 -0.879) 2.533 7.256 ( -6.153 0.000 6.158) 8.705 7.606 ( -1.352 0.000 4.972) 5.153 7.639 ( 4.574 0.000 -10.513) 11.465 7.898 ( 4.491 0.000 -1.531) 4.745 8.075 ( 7.604 0.000 -2.980) 8.167 8.174 ( 5.789 0.000 -0.086) 5.790 8.340 ( 3.354 0.000 2.378) 4.111 8.519 ( -4.429 0.000 -6.855) 8.162 8.629 ( 2.758 0.000 2.991) 4.069 8.808 ( 11.608 0.000 -5.949) 13.044 8.820 ( -1.429 0.000 -4.083) 4.326 9.023 ( 8.237 0.000 0.658) 8.264 9.092 ( 3.900 0.000 -0.878) 3.998 9.102 ( 6.530 0.000 0.931) 6.596 9.293 ( 9.924 0.000 6.606) 11.922 9.422 ( -9.381 0.000 7.884) 12.254 9.715 ( -6.685 0.000 -12.149) 13.867 9.837 ( 5.033 0.000 0.692) 5.080 9.999 ( 8.447 0.000 -7.262) 11.140 10.012 ( -6.219 0.000 12.630) 14.079 10.141 ( 8.128 0.000 -1.971) 8.364 10.452 ( 10.349 0.000 11.183) 15.237 10.454 ( 4.553 0.000 0.910) 4.643 10.737 ( 0.394 0.000 -2.793) 2.821 10.866 ( -2.973 0.000 -3.676) 4.728 11.135 ( 6.337 0.000 2.915) 6.975 11.297 ( 6.411 0.000 2.569) 6.907 11.389 ( 2.567 0.000 -1.911) 3.200 11.476 ( 6.071 0.000 -10.027) 11.722 11.615 ( 8.740 0.000 11.770) 14.660 11.835 ( 14.326 0.000 0.889) 14.354 12.069 ( -5.254 0.000 1.514) 5.468 12.171 ( -7.728 0.000 0.025) 7.728 12.372 ( -8.117 0.000 3.689) 8.916 12.546 ( 3.210 0.000 -3.884) 5.039 12.751 ( -0.133 0.000 12.658) 12.659 12.886 ( -5.916 0.000 0.562) 5.942 13.192 ( -3.389 0.000 -16.418) 16.765 13.203 ( 13.750 0.000 6.374) 15.156 13.480 ( 11.962 0.000 -10.008) 15.597 13.624 ( -0.132 0.000 1.036) 1.044 14.004 ( -10.818 0.000 3.142) 11.265 14.024 ( -3.955 0.000 1.908) 4.391 14.343 ( -2.331 0.000 -0.760) 2.452 14.349 ( -2.514 0.000 -4.784) 5.404 14.532 ( -10.075 0.000 1.758) 10.227 14.565 ( 3.250 0.000 -4.752) 5.757 15.403 ( 3.256 0.000 5.809) 6.659 15.579 ( 1.409 0.000 5.270) 5.455 15.739 ( -2.961 0.000 -5.617) 6.350 15.910 ( 4.174 0.000 0.771) 4.244 16.374 ( -4.626 0.000 -3.939) 6.076 16.413 ( 0.277 0.000 6.372) 6.378 16.825 ( 1.903 0.000 13.101) 13.239 17.770 ( 3.725 0.000 -6.161) 7.199 18.108 ( 0.135 0.000 5.763) 5.764 18.271 ( -0.986 0.000 -1.515) 1.808 19.742 ( -9.198 0.000 3.107) 9.709 19.889 ( -5.005 0.000 -17.972) 18.656 21.764 ( 10.140 0.000 -2.094) 10.354 22.482 ( 6.485 0.000 -5.849) 8.733 23.281 ( 3.195 0.000 -8.215) 8.815 23.524 ( 7.175 0.000 8.713) 11.287 ======================= Grid point 198 (90/130) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -17.784 0.000 28.867) 33.905 1.589 ( -17.981 0.000 27.441) 32.807 2.202 ( -9.137 0.000 -12.646) 15.601 2.217 ( -4.421 0.000 -12.046) 12.832 2.723 ( -21.076 0.000 25.683) 33.224 3.367 ( 6.331 0.000 -36.027) 36.579 3.574 ( 0.368 0.000 8.241) 8.249 3.613 ( 2.189 0.000 5.015) 5.472 4.858 ( -8.317 0.000 9.471) 12.605 4.885 ( -0.199 0.000 -5.117) 5.121 5.035 ( -2.195 0.000 -1.547) 2.685 5.156 ( 8.948 0.000 0.712) 8.976 5.282 ( -0.333 0.000 -11.219) 11.224 5.358 ( -1.585 0.000 1.688) 2.315 5.687 ( 8.224 0.000 0.379) 8.233 5.845 ( -6.500 0.000 -0.553) 6.523 5.958 ( 6.222 0.000 -5.271) 8.154 6.120 ( -9.170 0.000 -1.899) 9.365 6.142 ( -0.926 0.000 -0.420) 1.017 6.189 ( 4.538 0.000 -6.292) 7.757 6.441 ( 2.350 0.000 2.293) 3.283 6.445 ( 3.332 0.000 4.321) 5.457 6.529 ( -1.372 0.000 1.196) 1.820 6.609 ( -1.525 0.000 3.109) 3.463 6.774 ( -0.378 0.000 -7.568) 7.577 6.917 ( -1.837 0.000 2.389) 3.013 7.159 ( -6.568 0.000 7.585) 10.033 7.223 ( -0.629 0.000 -4.638) 4.680 7.597 ( -1.268 0.000 3.558) 3.777 7.664 ( 0.910 0.000 -6.727) 6.789 7.967 ( 3.654 0.000 -0.276) 3.664 8.175 ( 4.063 0.000 -5.422) 6.775 8.265 ( 3.044 0.000 -1.558) 3.419 8.339 ( -8.181 0.000 -2.069) 8.438 8.439 ( 4.173 0.000 0.319) 4.185 8.713 ( 2.770 0.000 6.735) 7.283 8.747 ( -1.913 0.000 -3.426) 3.924 9.021 ( 13.317 0.000 -7.700) 15.383 9.155 ( 0.341 0.000 2.675) 2.697 9.196 ( 7.415 0.000 1.621) 7.590 9.256 ( 9.459 0.000 -2.290) 9.732 9.289 ( -6.131 0.000 8.011) 10.088 9.478 ( 4.910 0.000 7.976) 9.366 9.490 ( -11.630 0.000 -9.749) 15.176 9.833 ( -7.976 0.000 9.797) 12.633 10.015 ( 4.791 0.000 2.025) 5.201 10.119 ( 7.174 0.000 -12.257) 14.202 10.244 ( 3.479 0.000 -7.953) 8.680 10.517 ( 1.307 0.000 3.989) 4.198 10.728 ( -7.035 0.000 -6.365) 9.487 10.806 ( 6.580 0.000 1.819) 6.827 10.817 ( 22.992 0.000 9.572) 24.905 11.264 ( 3.389 0.000 5.005) 6.044 11.417 ( 5.325 0.000 2.959) 6.092 11.452 ( 4.796 0.000 -5.833) 7.551 11.550 ( 5.992 0.000 -9.653) 11.362 11.874 ( 12.377 0.000 19.759) 23.315 11.897 ( -3.854 0.000 -4.362) 5.821 11.980 ( -12.801 0.000 -0.258) 12.803 12.147 ( 9.317 0.000 0.250) 9.320 12.186 ( -9.827 0.000 7.084) 12.114 12.544 ( -1.769 0.000 -3.374) 3.809 12.759 ( -2.717 0.000 9.174) 9.568 12.817 ( -2.118 0.000 2.968) 3.646 13.172 ( 3.896 0.000 -4.310) 5.810 13.384 ( 1.725 0.000 0.251) 1.743 13.620 ( -0.339 0.000 1.557) 1.593 13.644 ( 6.933 0.000 -3.106) 7.597 13.861 ( -1.317 0.000 -3.982) 4.194 13.924 ( -8.582 0.000 5.936) 10.435 14.234 ( -10.009 0.000 1.103) 10.069 14.264 ( -1.861 0.000 -9.510) 9.690 14.434 ( 0.676 0.000 1.116) 1.304 14.585 ( -0.766 0.000 -3.621) 3.701 15.514 ( 6.260 0.000 2.673) 6.807 15.587 ( -2.182 0.000 4.675) 5.159 15.684 ( -1.076 0.000 -0.519) 1.194 15.925 ( -2.284 0.000 -5.873) 6.301 16.334 ( 1.500 0.000 -1.603) 2.196 16.443 ( 0.159 0.000 1.890) 1.897 17.014 ( 13.440 0.000 14.879) 20.050 17.735 ( -5.026 0.000 -6.006) 7.832 18.144 ( 1.285 0.000 4.427) 4.610 18.247 ( -1.029 0.000 -1.073) 1.486 19.581 ( -7.099 0.000 -0.803) 7.145 19.691 ( -9.823 0.000 -11.019) 14.762 21.991 ( 13.453 0.000 0.183) 13.455 22.517 ( -0.564 0.000 -8.177) 8.196 23.329 ( 5.126 0.000 -6.624) 8.375 23.568 ( -6.508 0.000 -0.549) 6.531 ======================= Grid point 199 (91/130) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -5.813 12.231 26.093) 29.398 1.864 ( 6.651 25.102 16.528) 30.781 2.100 ( 1.307 3.664 -11.708) 12.337 2.376 ( -4.120 18.400 -5.844) 19.740 2.618 ( -8.068 11.296 23.970) 27.699 3.237 ( -0.178 -2.777 -21.121) 21.303 3.639 ( 2.889 2.954 8.645) 9.582 3.883 ( 6.605 8.818 -13.912) 17.746 4.724 ( -0.959 -4.779 5.617) 7.437 4.828 ( 0.209 -5.200 -3.557) 6.304 5.103 ( 2.081 7.471 5.858) 9.719 5.248 ( -3.559 3.366 -6.210) 7.909 5.373 ( -2.026 3.246 0.277) 3.836 5.381 ( 5.994 3.010 -0.749) 6.749 5.590 ( -6.536 -8.202 2.253) 10.727 5.676 ( 1.882 -6.326 -4.476) 7.975 5.922 ( -7.490 0.746 3.693) 8.384 6.036 ( 1.861 0.426 -6.051) 6.345 6.122 ( -0.682 0.063 5.796) 5.836 6.224 ( 0.148 -0.300 -4.021) 4.035 6.441 ( 0.564 -1.828 5.348) 5.680 6.521 ( 0.898 1.991 -0.911) 2.367 6.649 ( -1.118 11.053 4.339) 11.926 6.708 ( 4.542 10.452 0.981) 11.439 6.856 ( -4.236 2.606 1.108) 5.096 6.982 ( 1.629 8.569 -10.594) 13.723 7.168 ( 1.276 3.964 4.793) 6.349 7.301 ( -2.509 7.366 -7.986) 11.150 7.666 ( -2.563 7.677 3.176) 8.694 7.738 ( 5.173 9.418 -3.990) 11.461 8.057 ( 1.845 2.904 1.812) 3.888 8.105 ( -6.051 -0.324 -2.524) 6.565 8.256 ( 1.567 -1.156 0.048) 1.948 8.287 ( -0.004 0.509 -2.872) 2.916 8.586 ( 2.279 3.552 3.274) 5.342 8.668 ( -3.287 3.715 -4.728) 6.852 8.851 ( 6.544 -4.004 9.841) 12.478 8.984 ( -7.746 -3.605 7.017) 11.056 9.110 ( -8.294 -0.366 -4.722) 9.551 9.202 ( 4.408 -1.777 -4.714) 6.694 9.336 ( 2.231 1.236 -0.557) 2.610 9.356 ( 0.017 1.216 -1.118) 1.652 9.448 ( 6.639 -0.117 1.635) 6.839 9.505 ( -5.139 1.938 -2.374) 5.984 9.793 ( -2.894 3.655 15.862) 16.532 10.106 ( 2.672 -1.312 0.225) 2.985 10.152 ( 1.022 2.145 -11.360) 11.606 10.214 ( -1.741 -0.335 -7.657) 7.859 10.566 ( 1.857 1.045 3.850) 4.400 10.636 ( -2.882 0.738 -2.511) 3.893 10.881 ( 5.346 -5.089 3.372) 8.115 10.966 ( -3.366 -6.961 -4.703) 9.050 11.316 ( 0.782 -1.932 4.857) 5.285 11.417 ( -0.546 -2.999 -4.852) 5.730 11.536 ( -1.558 1.226 2.778) 3.413 11.632 ( 2.228 -0.032 -5.785) 6.199 11.802 ( 2.653 1.059 4.180) 5.063 11.839 ( -3.710 3.395 0.086) 5.030 12.082 ( 0.281 -1.159 7.103) 7.203 12.208 ( 4.382 -4.267 0.431) 6.131 12.249 ( 15.202 -3.223 5.250) 16.403 12.385 ( -11.385 -4.879 -5.373) 13.502 12.757 ( -0.737 0.258 6.247) 6.295 12.850 ( 2.473 0.383 -2.329) 3.419 13.183 ( 6.487 -5.284 3.393) 9.028 13.256 ( -6.967 -2.715 -2.791) 7.981 13.543 ( -4.282 -6.052 7.022) 10.211 13.659 ( 0.864 -1.346 -2.415) 2.896 13.822 ( -6.207 -0.148 4.103) 7.442 13.930 ( 7.902 -0.927 -3.112) 8.544 14.037 ( -7.834 -10.798 5.707) 14.510 14.148 ( 2.228 0.792 -0.699) 2.466 14.357 ( -2.803 -6.299 3.660) 7.806 14.624 ( 6.718 4.683 -17.998) 19.773 15.337 ( 7.576 -12.568 2.063) 14.819 15.377 ( -4.702 -10.902 -1.672) 11.990 15.893 ( 2.976 4.437 2.565) 5.926 15.984 ( -4.142 6.620 -5.821) 9.740 16.373 ( 4.124 -1.789 0.442) 4.517 16.385 ( -3.688 -1.631 -0.655) 4.086 17.412 ( 13.292 1.112 6.059) 14.650 17.561 ( -9.749 0.528 -7.885) 12.550 18.174 ( 2.019 -0.484 4.489) 4.946 18.228 ( -1.540 0.264 -1.149) 1.939 19.599 ( 3.497 9.858 3.284) 10.963 19.704 ( -5.525 16.004 -7.954) 18.707 22.021 ( -8.169 -21.738 4.906) 23.735 22.075 ( 3.691 -15.000 -0.938) 15.476 23.368 ( -9.527 7.031 18.431) 21.907 23.746 ( 2.946 17.899 -20.250) 27.187 ======================= Grid point 200 (92/130) ======================= q-point: ( 0.10 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 7.075 9.293 20.236) 23.365 2.117 ( 12.710 15.022 9.397) 21.806 2.145 ( 6.869 5.930 -5.912) 10.831 2.375 ( 6.637 10.224 -8.146) 14.661 2.681 ( 5.846 17.354 18.789) 26.236 3.143 ( -3.019 8.729 -0.424) 9.247 3.757 ( 5.633 1.564 -2.248) 6.264 3.979 ( 12.067 0.593 -19.759) 23.159 4.724 ( -1.012 -7.667 1.352) 7.851 4.852 ( 2.633 -4.137 2.314) 5.422 5.057 ( -6.890 4.844 1.833) 8.619 5.253 ( 0.238 6.144 0.651) 6.183 5.275 ( -3.134 5.934 -3.202) 7.436 5.410 ( -0.026 0.126 -3.074) 3.077 5.553 ( 0.580 -3.804 3.874) 5.460 5.733 ( 2.773 -5.894 1.641) 6.717 5.821 ( -4.433 -0.415 5.158) 6.814 6.009 ( -2.611 2.123 2.342) 4.100 6.154 ( 0.167 -2.242 2.297) 3.215 6.231 ( 2.122 5.731 -1.107) 6.211 6.372 ( -4.912 -2.171 0.004) 5.370 6.527 ( -0.347 1.984 0.182) 2.022 6.639 ( -2.983 7.016 -2.202) 7.935 6.764 ( 1.119 10.025 5.717) 11.595 6.847 ( 5.439 12.732 -0.283) 13.848 7.033 ( 2.996 3.465 -5.709) 7.319 7.205 ( 3.018 6.482 0.998) 7.219 7.293 ( 2.173 -1.476 -2.891) 3.906 7.620 ( -3.345 5.674 1.297) 6.713 7.810 ( 4.027 10.351 -6.203) 12.722 8.008 ( -3.982 2.808 0.892) 4.954 8.079 ( -1.471 2.832 3.445) 4.696 8.268 ( -1.113 1.392 -0.901) 1.997 8.315 ( 5.170 0.303 -1.146) 5.305 8.532 ( -5.231 0.694 -1.319) 5.439 8.685 ( 1.649 3.742 2.466) 4.775 8.833 ( -8.682 -1.557 -1.446) 8.939 8.892 ( -8.204 4.296 5.513) 10.777 9.004 ( 1.700 -4.067 5.300) 6.894 9.190 ( -3.391 -0.919 -2.580) 4.359 9.289 ( -9.640 -0.748 -3.602) 10.319 9.376 ( 0.759 1.639 2.788) 3.322 9.397 ( 2.411 0.084 1.357) 2.768 9.630 ( 5.347 0.718 -2.134) 5.801 9.778 ( -4.719 2.989 15.453) 16.432 10.017 ( -6.748 1.837 -9.245) 11.592 10.158 ( 2.878 -1.191 -5.502) 6.323 10.195 ( 0.221 0.123 -1.227) 1.253 10.581 ( -2.686 -1.908 -1.585) 3.657 10.639 ( 2.848 1.291 4.190) 5.229 10.806 ( -6.720 -2.084 -4.504) 8.353 10.909 ( -5.430 -2.341 -0.492) 5.933 11.288 ( -4.840 -2.594 5.421) 7.716 11.359 ( -5.022 -2.427 -5.335) 7.718 11.397 ( -8.053 -1.748 3.093) 8.802 11.603 ( -3.004 5.406 -6.088) 8.678 11.795 ( 2.311 -0.927 2.059) 3.231 11.980 ( 7.894 2.905 2.396) 8.746 12.046 ( -10.100 -5.546 -2.583) 11.808 12.122 ( -6.980 -2.400 -0.808) 7.425 12.291 ( 5.886 -6.413 -6.515) 10.873 12.522 ( 8.423 0.595 1.771) 8.628 12.798 ( 1.687 -5.070 4.628) 7.069 12.901 ( 2.848 -1.211 -4.381) 5.363 13.052 ( -10.121 -2.374 -1.094) 10.453 13.341 ( 0.549 -1.665 4.936) 5.238 13.521 ( -0.586 -2.981 2.596) 3.996 13.591 ( -3.828 -6.413 4.769) 8.861 13.714 ( -2.458 -4.346 -0.011) 4.993 13.953 ( -2.786 -9.292 -1.219) 9.777 14.069 ( 6.079 -2.492 4.778) 8.124 14.248 ( 4.083 6.019 7.586) 10.510 14.362 ( 5.025 -9.791 -4.968) 12.075 14.690 ( 5.448 6.685 -13.342) 15.886 15.306 ( -1.273 -15.475 -4.471) 16.158 15.504 ( 9.146 -7.666 -1.632) 12.045 15.836 ( -5.261 5.107 -1.255) 7.438 16.000 ( 2.904 6.722 1.394) 7.454 16.292 ( -4.481 -1.583 0.755) 4.812 16.460 ( 4.124 -0.937 -1.111) 4.372 17.289 ( -10.688 -0.447 -9.150) 14.076 17.620 ( 1.857 -1.164 6.189) 6.565 18.195 ( -0.903 -0.516 -1.073) 1.494 18.231 ( 1.964 1.877 1.851) 3.287 19.623 ( 2.219 7.255 -2.843) 8.102 19.769 ( 10.252 15.455 -0.198) 18.547 21.730 ( -15.974 -20.125 5.971) 26.379 22.226 ( 4.361 -10.084 3.620) 11.567 23.183 ( -12.930 3.930 15.976) 20.925 23.810 ( 5.154 17.384 -7.386) 19.578 ======================= Grid point 201 (93/130) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 13.668 1.007 11.121) 17.650 2.220 ( 6.331 1.421 -19.386) 20.443 2.383 ( 6.331 12.205 26.713) 30.043 2.557 ( 16.501 8.386 -13.050) 22.648 2.914 ( 10.991 8.027 8.149) 15.863 3.241 ( 12.479 24.005 10.300) 28.949 3.781 ( -0.152 5.291 -4.367) 6.862 4.178 ( 15.092 -8.444 -22.428) 28.321 4.681 ( -3.546 -11.933 -1.404) 12.528 4.919 ( 0.580 -3.615 5.906) 6.949 4.977 ( -0.726 5.474 2.212) 5.948 5.145 ( -5.305 6.081 -0.096) 8.070 5.284 ( 1.049 -1.514 -1.154) 2.173 5.478 ( 6.424 6.004 -1.665) 8.950 5.572 ( -0.163 -2.412 0.627) 2.498 5.685 ( -6.352 3.218 3.911) 8.124 5.827 ( 0.417 -4.240 1.563) 4.538 5.992 ( -0.842 1.249 7.951) 8.093 6.135 ( -1.829 5.647 0.969) 6.015 6.253 ( -0.988 3.132 4.100) 5.253 6.331 ( 0.282 -0.585 -0.085) 0.655 6.532 ( 3.062 -1.671 -4.185) 5.448 6.609 ( 1.244 2.608 -0.168) 2.894 6.857 ( 6.068 13.726 2.264) 15.177 6.921 ( 1.277 11.530 3.631) 12.156 7.036 ( 0.654 3.735 -4.411) 5.816 7.267 ( 4.006 3.554 -7.025) 8.834 7.313 ( -0.487 -3.255 3.853) 5.067 7.552 ( -3.718 4.799 -0.913) 6.139 7.809 ( -2.494 4.275 -5.595) 7.470 7.956 ( -2.515 8.332 2.616) 9.088 8.043 ( -2.810 3.324 0.580) 4.391 8.223 ( -2.450 5.163 -1.750) 5.977 8.418 ( 2.067 4.049 3.298) 5.616 8.420 ( -5.896 -0.508 0.191) 5.921 8.673 ( -3.648 0.125 -1.988) 4.156 8.695 ( -2.284 0.244 1.641) 2.823 8.835 ( -0.288 7.456 3.404) 8.201 8.996 ( -4.589 -2.935 1.727) 5.714 9.075 ( -6.981 -1.537 -2.207) 7.482 9.143 ( -3.456 2.330 -1.596) 4.463 9.331 ( -7.467 4.614 3.994) 9.644 9.477 ( 3.241 -1.908 6.629) 7.621 9.639 ( -0.103 -0.814 -2.933) 3.046 9.761 ( -3.106 3.035 10.360) 11.233 9.841 ( -8.680 0.531 -3.741) 9.467 10.141 ( -4.051 -0.654 -0.631) 4.152 10.252 ( 6.260 -0.800 -7.401) 9.727 10.489 ( -5.617 -1.582 -2.847) 6.494 10.596 ( -6.466 -3.206 -2.422) 7.613 10.734 ( -8.352 1.253 -3.656) 9.202 10.819 ( 5.245 3.073 2.930) 6.748 11.168 ( -8.742 -4.232 1.248) 9.792 11.260 ( -3.494 -0.895 4.970) 6.141 11.301 ( -5.346 0.161 0.333) 5.359 11.521 ( -2.223 2.113 -8.021) 8.587 11.736 ( -15.087 -6.736 -6.478) 17.746 11.836 ( -1.891 -1.634 0.073) 2.500 12.055 ( 0.465 -1.204 0.262) 1.317 12.153 ( 6.097 1.218 3.139) 6.965 12.369 ( 3.152 -6.770 -4.322) 8.628 12.580 ( -4.122 4.069 1.684) 6.032 12.819 ( 2.281 -6.704 6.329) 9.497 12.901 ( -0.901 -3.802 -2.826) 4.822 12.960 ( 0.410 2.357 0.544) 2.454 13.260 ( -7.540 0.944 5.272) 9.248 13.370 ( -8.850 -0.823 -2.641) 9.272 13.629 ( 0.167 -0.864 -1.070) 1.385 13.824 ( 8.424 -12.962 3.272) 15.801 13.895 ( -1.737 -10.844 0.625) 11.000 14.213 ( 7.018 -3.564 5.782) 9.766 14.314 ( 1.828 -0.624 2.286) 2.993 14.485 ( 7.320 -6.619 -1.509) 9.984 14.704 ( 1.010 6.511 -9.938) 11.924 15.283 ( 0.793 -16.420 -7.444) 18.046 15.637 ( 5.561 -3.374 -4.709) 8.030 15.736 ( -5.044 4.047 -0.806) 6.517 16.040 ( 0.188 8.513 3.169) 9.085 16.277 ( 2.518 0.244 5.805) 6.332 16.514 ( 3.020 -1.162 -3.944) 5.102 17.098 ( -5.016 -0.889 -12.313) 13.325 17.587 ( -8.000 -1.053 12.588) 14.952 18.180 ( 0.228 -0.899 -2.254) 2.437 18.258 ( -0.016 3.577 2.329) 4.268 19.685 ( 3.360 3.612 0.750) 4.990 19.984 ( 13.362 9.721 -7.792) 18.269 21.527 ( -7.654 -16.105 4.699) 18.440 22.254 ( -2.933 -6.411 5.368) 8.861 23.053 ( -7.160 -0.475 13.660) 15.431 23.807 ( -3.421 14.676 -3.662) 15.508 ======================= Grid point 202 (94/130) ======================= q-point: ( 0.30 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 9.043 4.755 -6.398) 12.055 2.302 ( 13.202 -4.774 0.427) 14.045 2.586 ( 6.445 10.650 17.424) 21.414 2.813 ( 13.103 10.524 -8.546) 18.854 3.132 ( 9.252 4.759 4.124) 11.192 3.485 ( 5.250 11.181 -5.766) 13.632 3.851 ( 12.287 10.590 0.204) 16.222 4.263 ( 0.311 -15.046 -13.165) 19.995 4.654 ( 5.053 -1.427 -5.674) 7.731 4.899 ( -5.305 -3.299 8.401) 10.469 5.000 ( -3.317 2.586 5.195) 6.684 5.048 ( -1.689 3.631 -1.758) 4.374 5.356 ( 3.249 0.770 0.696) 3.411 5.460 ( -7.300 0.586 -0.178) 7.325 5.523 ( -3.484 3.004 -1.069) 4.723 5.717 ( 8.014 4.323 2.372) 9.409 5.837 ( 3.352 2.420 -2.997) 5.106 6.029 ( 0.221 -1.534 8.745) 8.881 6.127 ( 1.266 10.552 0.848) 10.661 6.241 ( -3.112 4.926 7.433) 9.444 6.370 ( 4.861 -9.284 -0.881) 10.517 6.604 ( 4.704 -4.397 -4.987) 8.145 6.671 ( 5.434 1.423 0.941) 5.695 6.923 ( -2.262 5.565 3.947) 7.188 6.983 ( 6.119 14.807 -1.331) 16.077 7.047 ( 2.188 6.370 -2.510) 7.188 7.293 ( 1.236 4.798 -5.599) 7.476 7.321 ( -0.088 -0.659 7.599) 7.628 7.487 ( -2.343 3.790 -2.682) 5.200 7.704 ( -5.453 -1.775 -3.335) 6.634 7.882 ( -6.595 5.524 1.231) 8.690 7.979 ( -4.417 6.649 -1.549) 8.131 8.197 ( 1.709 9.311 -4.061) 10.301 8.303 ( -6.145 0.547 2.604) 6.696 8.411 ( -3.241 6.655 5.418) 9.173 8.594 ( -2.516 0.169 -2.661) 3.666 8.751 ( 1.864 1.417 -3.805) 4.467 8.828 ( -0.721 5.126 1.845) 5.496 8.894 ( -3.491 -0.077 0.337) 3.508 8.992 ( -2.599 0.304 0.508) 2.665 9.091 ( -2.543 3.921 -2.190) 5.161 9.166 ( -8.806 5.222 3.681) 10.880 9.533 ( 0.044 -3.664 6.005) 7.035 9.640 ( -3.148 -1.872 1.707) 4.041 9.710 ( -1.657 0.530 2.342) 2.917 9.735 ( -2.649 1.984 7.551) 8.245 10.062 ( -3.406 0.303 -0.513) 3.457 10.240 ( -5.866 0.392 -1.406) 6.045 10.380 ( -4.242 -0.709 -6.356) 7.674 10.443 ( -6.619 1.222 -8.403) 10.766 10.676 ( 2.246 -4.056 1.475) 4.866 10.894 ( 0.367 1.338 1.112) 1.778 11.005 ( -7.626 -4.736 -1.511) 9.103 11.205 ( -4.034 3.027 1.943) 5.405 11.236 ( -2.917 -2.032 4.725) 5.913 11.454 ( -3.655 -4.307 -5.271) 7.726 11.473 ( -8.390 -1.584 -4.740) 9.766 11.720 ( -6.284 -0.209 -5.961) 8.664 12.131 ( 4.812 -1.967 2.941) 5.972 12.221 ( -0.939 0.006 2.092) 2.293 12.337 ( -4.366 -4.135 0.900) 6.080 12.492 ( -3.249 4.634 3.900) 6.873 12.824 ( -5.958 -7.508 -3.108) 10.076 12.972 ( 7.704 -1.870 4.095) 8.923 13.028 ( 5.127 2.290 8.653) 10.315 13.131 ( -6.394 4.259 -6.141) 9.835 13.255 ( -0.767 -0.124 -4.199) 4.270 13.621 ( -0.456 -0.191 1.426) 1.509 13.821 ( -2.261 -11.476 2.224) 11.906 14.011 ( 5.604 -13.152 3.018) 14.611 14.314 ( 0.274 -3.597 3.234) 4.845 14.386 ( 6.132 -4.931 -0.591) 7.891 14.590 ( 3.937 -3.857 -0.092) 5.512 14.671 ( -0.024 -0.250 -7.228) 7.232 15.268 ( 1.010 -14.150 -8.776) 16.681 15.575 ( -7.039 -2.722 -7.808) 10.859 15.738 ( 2.232 5.263 5.466) 7.910 16.035 ( -1.365 11.175 1.653) 11.379 16.424 ( 9.234 1.855 7.940) 12.319 16.561 ( 3.996 -2.272 -4.700) 6.574 16.999 ( -0.497 -1.622 -14.120) 14.222 17.442 ( -12.544 -0.636 13.833) 18.684 18.193 ( 2.096 -0.491 -2.516) 3.311 18.253 ( -1.603 3.472 3.819) 5.404 19.731 ( 0.166 2.969 6.875) 7.490 20.170 ( 10.720 2.970 -16.891) 20.225 21.477 ( 0.586 -11.356 3.541) 11.910 22.170 ( -7.886 -4.497 4.664) 10.206 23.010 ( -3.131 -1.830 13.112) 13.604 23.676 ( -7.690 10.718 -5.699) 14.369 ======================= Grid point 203 (95/130) ======================= q-point: ( 0.40 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 5.109 8.163 -1.111) 9.694 2.620 ( 11.372 0.119 -2.201) 11.584 2.746 ( 7.652 5.433 9.628) 13.445 2.956 ( 6.511 9.776 -2.191) 11.948 3.261 ( 4.202 6.266 -6.001) 9.640 3.444 ( -4.811 2.078 -9.062) 10.468 4.031 ( 2.556 -8.112 4.354) 9.555 4.274 ( 8.115 -6.471 -10.934) 15.076 4.743 ( -8.333 -3.571 6.104) 10.929 4.812 ( 8.472 9.024 -2.253) 12.581 4.931 ( -6.657 5.259 4.005) 9.381 5.054 ( 2.206 4.492 -0.052) 5.005 5.250 ( -7.995 10.817 0.854) 13.478 5.367 ( -5.627 2.089 0.293) 6.009 5.561 ( 6.438 -1.392 0.369) 6.597 5.801 ( 0.764 4.816 -2.869) 5.658 5.993 ( 9.119 0.511 0.500) 9.147 6.053 ( 1.614 -0.811 5.479) 5.769 6.175 ( 1.824 7.353 1.064) 7.650 6.205 ( -2.913 2.374 5.621) 6.761 6.485 ( 6.207 -12.179 0.751) 13.690 6.643 ( 1.235 -7.860 -3.449) 8.672 6.795 ( 6.150 1.366 0.286) 6.306 6.885 ( -2.473 2.923 2.173) 4.402 7.056 ( 1.639 9.514 -0.261) 9.657 7.089 ( 3.229 9.083 -1.466) 9.751 7.298 ( 0.703 9.826 -1.583) 9.978 7.355 ( -0.941 4.731 5.101) 7.020 7.445 ( -0.436 1.790 1.166) 2.181 7.623 ( -0.551 -4.080 -3.715) 5.546 7.755 ( -6.678 2.675 0.856) 7.244 7.875 ( -4.647 6.019 -3.250) 8.270 8.201 ( -4.181 1.230 3.258) 5.442 8.256 ( 3.683 12.834 -4.607) 14.125 8.388 ( -0.392 6.825 2.862) 7.411 8.554 ( -1.222 0.481 -3.450) 3.692 8.634 ( -7.453 5.316 -1.268) 9.242 8.782 ( -5.538 6.082 -5.407) 9.843 8.920 ( 1.176 -0.134 2.606) 2.862 8.964 ( 0.560 -0.303 -0.090) 0.642 9.049 ( 1.836 2.775 -0.873) 3.440 9.102 ( -1.671 4.269 3.283) 5.639 9.542 ( -1.505 -2.953 7.177) 7.905 9.560 ( -4.047 -1.278 5.340) 6.821 9.727 ( 2.081 1.427 -0.097) 2.525 9.769 ( 1.951 -0.370 7.032) 7.307 9.995 ( -5.157 -0.904 1.634) 5.485 10.110 ( -6.174 3.489 1.011) 7.163 10.253 ( -5.175 1.015 -3.237) 6.188 10.344 ( -0.969 0.218 -10.373) 10.420 10.733 ( 1.398 -6.218 1.143) 6.475 10.817 ( -3.971 -1.091 -5.008) 6.484 10.944 ( -1.978 -2.563 7.291) 7.977 11.141 ( -3.595 -4.423 -1.190) 5.823 11.168 ( -4.509 1.006 1.677) 4.915 11.308 ( -4.901 -2.595 -6.219) 8.332 11.448 ( 1.794 0.989 0.537) 2.118 11.616 ( -2.396 0.415 -6.213) 6.671 12.164 ( -4.167 1.097 6.557) 7.846 12.222 ( 2.960 -1.341 4.928) 5.903 12.283 ( -1.784 -3.098 0.067) 3.576 12.465 ( -1.758 5.307 0.979) 5.676 12.699 ( -5.376 -4.730 -1.135) 7.250 12.937 ( -8.709 4.812 -6.882) 12.098 13.111 ( 6.414 1.341 0.417) 6.566 13.169 ( 3.570 -1.986 2.608) 4.847 13.311 ( 7.153 0.621 -1.199) 7.280 13.627 ( -1.000 0.684 0.412) 1.279 13.833 ( 3.279 -12.776 5.386) 14.247 14.072 ( 0.297 -13.027 0.962) 13.066 14.298 ( -2.422 -2.589 2.450) 4.310 14.460 ( 2.341 -4.464 -4.399) 6.690 14.633 ( 1.898 -2.434 -1.738) 3.542 14.678 ( 1.599 -9.236 -0.989) 9.425 15.256 ( 1.274 -10.910 -8.157) 13.681 15.400 ( -7.985 -3.888 -6.033) 10.737 15.799 ( 1.494 7.021 8.320) 10.989 16.013 ( -0.921 11.986 -1.247) 12.086 16.613 ( 4.498 -1.377 4.474) 6.492 16.635 ( 5.847 0.582 1.255) 6.009 16.978 ( 5.422 -1.688 -14.263) 15.352 17.236 ( -13.942 0.642 10.091) 17.223 18.217 ( -1.903 2.052 5.154) 5.865 18.244 ( 1.865 0.752 -1.867) 2.744 19.760 ( -0.530 2.255 11.817) 12.042 20.239 ( 4.994 -0.833 -22.812) 23.367 21.572 ( 7.813 -7.603 3.421) 11.426 22.007 ( -10.509 -3.971 2.137) 11.436 23.031 ( -0.380 -0.430 14.498) 14.510 23.508 ( -6.563 6.328 -8.787) 12.662 ======================= Grid point 204 (96/130) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 3.084 7.843 8.527) 11.989 2.544 ( -9.570 11.414 -7.499) 16.677 2.966 ( 3.101 3.957 8.735) 10.079 3.126 ( 6.658 3.859 3.909) 8.631 3.220 ( -7.805 -3.575 -12.923) 15.514 3.283 ( 3.293 5.546 -11.208) 12.931 4.120 ( 0.969 -7.788 6.495) 10.187 4.250 ( -5.225 -9.998 -5.288) 12.459 4.715 ( -4.101 2.479 4.801) 6.783 4.794 ( 7.516 3.377 -1.308) 8.343 4.958 ( -9.819 12.584 4.322) 16.536 5.052 ( 6.623 12.440 -0.496) 14.102 5.230 ( 5.298 1.734 -1.258) 5.714 5.310 ( 0.918 3.696 -6.609) 7.628 5.654 ( 1.277 3.277 2.966) 4.600 5.752 ( -2.777 2.175 -5.028) 6.142 6.050 ( -1.410 -2.484 8.948) 9.393 6.167 ( -4.195 0.130 3.134) 5.238 6.178 ( 5.000 5.071 -0.593) 7.147 6.200 ( 3.197 2.712 -2.404) 4.832 6.538 ( -3.060 -11.922 4.161) 12.993 6.647 ( 1.416 -10.648 -4.119) 11.504 6.851 ( -0.928 1.622 0.731) 2.006 6.887 ( 3.345 3.942 -2.163) 5.604 7.048 ( -2.717 5.795 5.550) 8.471 7.134 ( -0.123 7.070 -0.726) 7.108 7.241 ( -7.588 10.811 5.679) 14.377 7.351 ( 3.575 9.025 -4.788) 10.824 7.501 ( 2.830 0.226 5.170) 5.899 7.622 ( -3.681 -2.293 -3.224) 5.403 7.691 ( 4.197 2.850 1.611) 5.323 7.813 ( 0.846 4.028 -7.451) 8.512 8.147 ( -3.276 5.872 6.786) 9.553 8.298 ( 2.317 8.813 -7.794) 11.991 8.409 ( 0.018 5.386 2.477) 5.928 8.488 ( 0.479 7.862 -4.196) 8.924 8.588 ( 0.119 3.997 2.720) 4.836 8.686 ( -0.765 2.010 -6.189) 6.553 8.923 ( -0.652 0.920 2.968) 3.175 8.975 ( 0.947 0.887 -1.763) 2.189 9.057 ( -3.239 3.387 4.166) 6.271 9.145 ( 5.099 2.125 -4.033) 6.839 9.529 ( -0.738 -2.363 7.550) 7.946 9.575 ( 2.077 -1.111 3.568) 4.275 9.795 ( 4.008 1.071 -0.589) 4.191 9.804 ( -0.890 0.451 -1.238) 1.590 9.936 ( 0.779 -1.482 6.253) 6.473 10.028 ( -1.255 2.879 -1.799) 3.619 10.192 ( -2.663 1.522 2.406) 3.898 10.287 ( -2.118 0.809 -7.266) 7.612 10.734 ( -2.538 -4.586 1.928) 5.585 10.770 ( 1.552 -3.112 -1.096) 3.646 10.954 ( -0.025 -2.915 6.895) 7.486 11.058 ( -2.071 -4.829 -3.497) 6.312 11.143 ( 1.242 -0.466 2.140) 2.518 11.247 ( 0.348 -0.612 -7.610) 7.642 11.492 ( 1.613 0.541 1.863) 2.523 11.563 ( -1.260 1.620 -5.098) 5.496 12.152 ( -0.394 -0.237 7.989) 8.003 12.259 ( 1.404 0.240 -1.671) 2.196 12.305 ( 2.234 -1.630 6.157) 6.750 12.416 ( -2.823 3.116 -3.430) 5.426 12.634 ( -2.288 -0.460 5.667) 6.129 12.766 ( -6.179 4.130 -3.526) 8.226 13.190 ( 0.297 -1.777 -3.428) 3.872 13.245 ( 8.941 -0.432 -7.554) 11.713 13.476 ( 8.077 1.148 3.440) 8.854 13.535 ( -7.192 1.452 -1.947) 7.591 13.946 ( 1.804 -12.183 6.741) 14.040 14.054 ( -0.313 -16.330 -2.881) 16.585 14.271 ( -1.570 -0.910 6.558) 6.804 14.463 ( 1.488 -1.516 -8.322) 8.589 14.649 ( -0.308 -8.607 1.004) 8.671 14.686 ( -0.466 -7.573 -2.118) 7.877 15.236 ( -4.498 -7.002 -0.887) 8.370 15.282 ( 1.686 -7.257 -7.186) 10.351 15.860 ( 1.502 8.258 8.807) 12.166 15.989 ( -0.887 10.944 -3.473) 11.516 16.641 ( -4.060 -1.695 5.050) 6.698 16.694 ( 1.421 -0.472 1.380) 2.036 16.994 ( -12.941 0.662 4.885) 13.848 17.151 ( 14.730 1.396 -9.994) 17.855 18.179 ( -4.104 1.478 7.616) 8.777 18.284 ( 2.590 0.800 -2.838) 3.925 19.806 ( -0.195 0.971 14.285) 14.320 20.206 ( 2.074 -1.063 -24.685) 24.795 21.773 ( 10.237 -6.824 3.103) 12.689 21.811 ( -8.694 -4.047 -1.109) 9.653 23.096 ( 0.225 1.749 16.890) 16.982 23.388 ( -1.338 3.626 -11.419) 12.056 ======================= Grid point 205 (97/130) ======================= q-point: (-0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -14.048 11.517 1.294) 18.212 2.441 ( -4.755 8.274 8.704) 12.917 2.847 ( -14.467 -6.780 0.456) 15.983 2.965 ( -5.683 3.004 -1.724) 6.655 3.263 ( 1.761 12.569 -4.376) 13.425 3.422 ( 9.330 4.149 -6.959) 12.357 4.040 ( -9.102 -7.476 8.437) 14.488 4.104 ( -9.581 -0.195 -1.799) 9.750 4.737 ( -10.195 13.278 2.567) 16.936 4.826 ( 13.528 -1.035 -0.690) 13.585 4.980 ( 7.963 -0.734 -1.675) 8.170 5.157 ( 2.302 1.848 -5.063) 5.860 5.277 ( 5.626 4.172 -3.309) 7.747 5.379 ( 3.782 1.072 1.250) 4.125 5.549 ( -9.260 -0.708 -0.003) 9.287 5.776 ( 4.359 5.443 -2.691) 7.475 5.959 ( -12.292 0.560 3.277) 12.734 6.108 ( -0.439 1.832 1.391) 2.342 6.192 ( -2.782 4.950 3.441) 6.639 6.281 ( 3.814 1.915 -1.407) 4.494 6.459 ( -4.660 -11.334 0.529) 12.266 6.622 ( -3.293 -6.058 -1.533) 7.063 6.821 ( -2.989 1.363 -2.947) 4.413 6.926 ( 1.189 5.153 -0.740) 5.340 7.007 ( -2.979 6.641 5.365) 9.042 7.075 ( -3.897 11.635 -0.229) 12.272 7.160 ( -3.677 7.244 7.802) 11.264 7.406 ( 2.441 5.804 -2.013) 6.611 7.550 ( 0.227 -2.774 -3.739) 4.662 7.562 ( 1.111 -2.021 1.935) 3.010 7.801 ( 6.601 8.422 -2.821) 11.066 7.868 ( 6.631 2.629 -3.567) 7.975 8.118 ( -2.569 7.130 5.792) 9.539 8.294 ( 1.091 5.173 -3.639) 6.418 8.445 ( 4.012 4.480 0.312) 6.022 8.549 ( 5.004 6.560 -4.890) 9.591 8.598 ( 1.086 2.233 2.293) 3.380 8.745 ( 7.926 5.388 -1.848) 9.761 8.925 ( -0.489 0.095 1.809) 1.876 8.990 ( 1.285 0.605 -2.037) 2.483 9.002 ( -2.979 2.551 1.765) 4.301 9.194 ( 1.932 3.287 -3.902) 5.456 9.571 ( 1.771 -3.656 3.850) 5.597 9.639 ( 2.693 -1.918 -0.412) 3.332 9.749 ( -0.562 1.620 -1.317) 2.162 9.860 ( 2.403 2.826 -1.805) 4.126 10.039 ( 3.716 -0.625 10.215) 10.888 10.077 ( 4.902 -0.292 -3.919) 6.282 10.184 ( 3.602 1.583 1.305) 4.145 10.206 ( -3.287 1.604 -0.928) 3.774 10.693 ( -0.213 -2.623 3.286) 4.210 10.813 ( -0.499 -4.773 -2.909) 5.612 10.990 ( 4.809 -3.505 3.165) 6.740 11.102 ( 3.586 -5.412 1.631) 6.694 11.206 ( 3.916 -0.467 2.145) 4.489 11.257 ( 5.596 1.401 -5.887) 8.243 11.510 ( -1.044 1.583 -4.856) 5.213 11.524 ( -0.162 1.604 2.352) 2.852 12.196 ( 2.178 -4.298 3.790) 6.130 12.256 ( -3.033 -1.978 1.111) 3.787 12.363 ( 0.296 -0.069 -5.782) 5.790 12.392 ( 4.476 3.644 4.685) 7.434 12.673 ( 3.867 1.752 7.850) 8.924 12.700 ( -0.754 3.971 4.927) 6.373 13.199 ( 3.430 -2.084 -6.662) 7.778 13.323 ( -6.580 0.341 -4.729) 8.110 13.370 ( 1.391 -0.322 -10.118) 10.218 13.623 ( 3.479 0.890 1.127) 3.764 13.896 ( -4.298 -14.874 1.806) 15.588 14.069 ( 0.397 -13.849 3.608) 14.316 14.269 ( -2.645 -1.563 4.403) 5.369 14.478 ( 3.800 0.695 -10.066) 10.782 14.622 ( -3.369 -6.225 0.007) 7.079 14.654 ( -1.774 -9.108 0.618) 9.299 15.162 ( -2.369 -9.548 0.918) 9.880 15.336 ( 4.602 -5.884 -0.792) 7.512 15.920 ( 0.409 5.906 2.547) 6.445 15.956 ( 0.446 11.829 -0.791) 11.863 16.541 ( -7.342 0.360 5.227) 9.020 16.709 ( -5.561 -2.844 12.101) 13.618 16.776 ( -6.706 3.355 -6.171) 9.711 17.418 ( 16.052 0.986 -8.373) 18.131 18.130 ( -4.086 0.036 7.558) 8.592 18.310 ( 1.162 1.363 -2.121) 2.776 19.839 ( -2.374 -1.783 11.139) 11.528 20.157 ( 2.579 2.480 -21.069) 21.370 21.634 ( -6.925 -5.650 -2.990) 9.425 22.013 ( 11.811 -7.944 1.833) 14.351 23.137 ( -1.816 0.178 11.355) 11.501 23.409 ( 7.552 7.341 -5.967) 12.105 ======================= Grid point 206 (98/130) ======================= q-point: (-0.30 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -14.116 11.673 7.687) 19.864 2.238 ( -18.161 2.679 9.391) 20.621 2.639 ( -9.823 1.905 -1.037) 10.059 2.870 ( -3.603 5.460 -2.686) 7.072 3.220 ( -5.419 6.811 -3.833) 9.510 3.504 ( 3.427 4.128 -5.595) 7.752 3.837 ( -9.656 10.810 3.968) 15.028 3.930 ( -16.746 6.225 9.967) 20.458 4.646 ( 2.400 -2.269 -4.077) 5.247 5.029 ( 0.226 -2.748 0.677) 2.839 5.079 ( 2.311 -7.492 -7.832) 11.082 5.133 ( 6.523 -0.710 -6.335) 9.121 5.321 ( -7.353 -0.278 3.712) 8.242 5.452 ( 7.208 1.460 2.428) 7.745 5.488 ( 3.479 4.729 0.645) 5.906 5.726 ( -8.930 5.772 0.977) 10.678 5.840 ( 2.444 -0.531 -3.520) 4.318 6.122 ( 0.290 -1.265 1.556) 2.026 6.142 ( -2.043 8.445 2.633) 9.079 6.286 ( -3.443 -4.599 2.387) 6.221 6.412 ( 1.023 -0.870 -5.806) 5.960 6.527 ( -6.304 -2.838 1.148) 7.008 6.716 ( -5.477 5.909 -3.068) 8.621 6.916 ( -3.607 12.720 1.803) 13.344 6.974 ( -2.466 3.170 4.333) 5.908 7.044 ( 0.983 6.861 -3.297) 7.675 7.136 ( -1.887 3.671 5.863) 7.171 7.428 ( 0.815 7.532 -0.386) 7.586 7.536 ( 1.686 -4.069 -7.653) 8.830 7.631 ( 3.658 2.721 3.356) 5.661 7.928 ( 7.749 9.136 -3.300) 12.426 7.974 ( 4.992 3.145 -1.166) 6.014 8.115 ( 1.083 3.583 3.803) 5.336 8.326 ( 2.883 5.112 -0.485) 5.889 8.528 ( 3.836 1.271 -0.392) 4.060 8.616 ( 5.226 4.916 -8.164) 10.869 8.668 ( 3.975 1.728 3.099) 5.328 8.887 ( 4.937 6.487 -2.896) 8.651 8.909 ( 0.444 -1.249 -1.082) 1.711 9.004 ( 1.623 -0.544 1.580) 2.329 9.016 ( 3.401 1.163 2.226) 4.228 9.222 ( 3.670 5.035 -1.406) 6.387 9.549 ( -5.004 -1.690 1.195) 5.415 9.687 ( 4.264 -3.385 0.487) 5.466 9.800 ( 3.123 2.284 -5.126) 6.423 9.895 ( 3.545 -0.125 -5.511) 6.554 10.033 ( -4.307 -1.498 8.270) 9.444 10.112 ( 1.019 3.171 2.039) 3.905 10.292 ( 8.848 2.337 6.620) 11.295 10.327 ( 8.062 0.317 -1.491) 8.205 10.746 ( -1.889 -4.221 -4.474) 6.434 10.781 ( 5.291 -2.109 6.399) 8.566 11.076 ( 0.761 -3.168 -6.046) 6.868 11.171 ( 7.040 -0.884 5.896) 9.225 11.303 ( 4.578 -3.176 1.804) 5.856 11.414 ( 8.733 0.141 -0.869) 8.777 11.448 ( -1.226 0.696 -6.284) 6.440 11.603 ( 8.298 2.462 4.937) 9.964 12.158 ( -6.118 -2.313 0.897) 6.602 12.237 ( -0.727 -3.419 1.396) 3.763 12.365 ( 0.200 -2.892 -3.372) 4.447 12.493 ( 5.108 2.482 3.273) 6.555 12.707 ( 0.070 1.317 6.252) 6.390 12.875 ( 10.086 2.029 9.486) 13.994 13.143 ( -7.181 4.746 0.101) 8.608 13.256 ( 0.534 -6.480 -14.925) 16.280 13.322 ( 2.141 -3.534 -10.747) 11.514 13.632 ( -0.599 0.926 0.589) 1.250 13.879 ( 0.794 -11.965 -1.281) 12.059 14.068 ( -4.258 -16.950 2.671) 17.679 14.201 ( -5.185 -0.727 10.622) 11.842 14.484 ( -0.844 0.194 -11.383) 11.416 14.568 ( -0.755 -2.799 -0.871) 3.027 14.614 ( -1.994 -4.902 -0.749) 5.345 15.146 ( -0.548 -12.130 2.809) 12.464 15.434 ( 4.675 -5.395 4.602) 8.493 15.849 ( -4.552 3.462 -4.854) 7.501 16.043 ( 5.590 11.140 2.054) 12.632 16.441 ( -5.007 1.408 6.452) 8.288 16.531 ( -10.264 -0.070 0.218) 10.266 16.764 ( 0.702 1.596 6.442) 6.673 17.656 ( 12.054 0.865 -8.244) 14.629 18.092 ( -2.769 -1.164 7.001) 7.618 18.311 ( -0.335 1.717 -1.289) 2.173 19.790 ( -5.641 -4.008 3.954) 7.970 20.130 ( 0.965 7.709 -14.619) 16.555 21.549 ( -0.150 -8.707 -3.898) 9.541 22.209 ( 7.993 -11.098 1.128) 13.723 23.148 ( 0.672 -0.762 4.050) 4.176 23.590 ( 11.938 12.507 -0.668) 17.302 ======================= Grid point 207 (99/130) ======================= q-point: (-0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -13.080 8.976 17.219) 23.412 1.946 ( -16.065 8.120 12.537) 21.936 2.422 ( -11.808 4.744 -4.107) 13.372 2.757 ( -6.836 15.345 -10.358) 19.735 3.043 ( -11.535 1.056 -1.751) 11.715 3.516 ( -6.591 6.441 -8.733) 12.696 3.593 ( -14.086 6.890 23.517) 28.265 3.771 ( 1.563 14.918 -4.208) 15.578 4.720 ( 4.122 -12.224 -4.215) 13.572 4.970 ( -5.382 -4.421 -0.026) 6.965 5.039 ( -0.851 -3.850 -3.168) 5.058 5.130 ( -0.680 4.705 1.039) 4.866 5.367 ( 5.210 1.028 -7.338) 9.058 5.445 ( -4.281 4.041 2.362) 6.343 5.552 ( 1.687 2.116 1.789) 3.244 5.763 ( 9.139 0.928 -2.801) 9.603 5.839 ( -1.359 -4.167 -0.500) 4.411 6.138 ( 1.074 -0.523 -1.508) 1.924 6.161 ( 3.299 5.313 2.145) 6.612 6.233 ( -2.142 -8.236 1.296) 8.608 6.345 ( -7.664 0.875 -1.057) 7.786 6.475 ( 1.277 3.164 0.625) 3.469 6.617 ( -3.654 7.167 -1.511) 8.186 6.822 ( -6.205 11.986 2.777) 13.780 6.968 ( 0.995 7.265 2.007) 7.602 7.050 ( -0.322 8.743 -5.426) 10.295 7.109 ( -2.831 -2.835 4.830) 6.275 7.434 ( 0.776 8.739 -4.175) 9.716 7.576 ( 4.725 -1.052 -4.700) 6.747 7.692 ( 0.703 7.671 5.038) 9.204 8.014 ( 3.049 8.047 -2.971) 9.104 8.075 ( 5.742 0.015 -1.954) 6.065 8.187 ( 4.785 2.333 1.699) 5.588 8.389 ( 3.117 4.472 1.711) 5.713 8.539 ( -4.315 1.636 -4.069) 6.152 8.623 ( 0.873 -0.101 -1.056) 1.374 8.792 ( 8.074 1.027 -6.812) 10.614 8.910 ( 0.851 6.212 -2.076) 6.604 8.992 ( 8.263 -2.230 0.480) 8.572 9.051 ( 3.069 -2.685 1.780) 4.450 9.098 ( 3.065 -0.433 2.141) 3.764 9.362 ( 8.871 5.172 2.843) 10.654 9.462 ( -4.131 2.902 5.795) 7.686 9.689 ( -6.455 -2.257 -10.347) 12.402 9.810 ( 4.064 -1.926 1.542) 4.755 9.961 ( 0.835 -1.382 0.886) 1.842 10.035 ( 3.284 0.521 4.781) 5.823 10.183 ( 6.164 3.663 -4.455) 8.441 10.439 ( 4.256 0.141 2.122) 4.757 10.488 ( 9.326 1.246 8.090) 12.409 10.710 ( 1.497 -2.277 -1.934) 3.342 10.863 ( -2.044 -0.570 -1.280) 2.478 11.120 ( 7.270 -1.181 2.064) 7.649 11.347 ( 7.550 4.023 5.383) 10.107 11.353 ( 2.133 -3.945 -1.825) 4.842 11.453 ( 4.898 -2.152 -9.956) 11.302 11.570 ( 8.101 -3.351 8.331) 12.094 11.839 ( 11.843 0.418 -0.149) 11.852 12.051 ( -4.271 -1.689 1.388) 4.798 12.180 ( -5.546 0.288 0.970) 5.638 12.297 ( -7.398 -5.215 0.976) 9.104 12.584 ( 1.750 2.094 0.988) 2.902 12.734 ( -0.156 -1.076 9.073) 9.138 12.930 ( -4.032 3.129 -0.126) 5.105 13.087 ( -3.610 -7.884 -10.219) 13.402 13.232 ( 10.290 1.357 3.884) 11.082 13.459 ( 10.919 -2.110 -9.178) 14.419 13.620 ( -0.864 -0.301 0.513) 1.049 13.869 ( -4.057 -12.666 0.417) 13.307 13.916 ( -6.749 -7.944 -1.869) 10.590 14.183 ( -4.111 -8.232 13.713) 16.514 14.405 ( -2.273 -1.566 -7.035) 7.557 14.472 ( -8.327 -3.299 1.048) 9.018 14.632 ( 3.115 3.437 -10.035) 11.055 15.159 ( 0.632 -14.267 4.488) 14.970 15.521 ( 1.259 -5.026 5.155) 7.309 15.757 ( -2.248 1.673 -1.983) 3.433 16.128 ( 2.591 8.315 -3.976) 9.574 16.372 ( -5.314 0.045 -2.517) 5.880 16.418 ( -0.671 -0.110 5.161) 5.206 16.848 ( 5.483 4.797 11.798) 13.866 17.782 ( 4.164 0.991 -7.716) 8.823 18.089 ( -0.197 -1.742 6.346) 6.584 18.291 ( -1.267 1.802 -0.592) 2.281 19.677 ( -6.695 -2.363 0.645) 7.129 20.053 ( -3.983 11.700 -12.354) 17.476 21.609 ( 8.053 -12.774 -3.710) 15.550 22.305 ( 1.493 -15.531 0.837) 15.625 23.208 ( 4.412 1.934 2.178) 5.287 23.802 ( 10.104 14.338 -5.000) 18.239 ======================= Grid point 208 (100/130) ======================= q-point: (-0.10 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -14.085 9.343 24.833) 30.039 1.782 ( -5.380 18.867 15.567) 25.044 2.202 ( -7.710 3.896 -8.861) 12.375 2.551 ( -9.316 23.650 -12.034) 28.123 2.783 ( -17.731 5.700 20.012) 27.338 3.311 ( -1.482 -1.499 -20.050) 20.160 3.595 ( -1.978 3.848 15.963) 16.539 3.817 ( 5.479 13.414 -10.370) 17.818 4.731 ( -1.295 -8.880 2.038) 9.202 4.871 ( -3.790 -5.026 -1.626) 6.502 5.044 ( 1.718 2.610 1.557) 3.491 5.217 ( 7.530 5.431 1.324) 9.378 5.361 ( -3.690 4.902 -4.844) 7.817 5.382 ( 0.116 1.396 -1.113) 1.789 5.616 ( 3.418 -4.530 -2.787) 6.322 5.747 ( -5.792 -5.011 0.343) 7.666 5.934 ( 7.302 -1.759 -4.451) 8.730 6.096 ( -5.201 1.331 -6.845) 8.699 6.154 ( -4.770 -0.952 4.849) 6.868 6.247 ( -1.106 -2.110 -2.761) 3.647 6.304 ( 7.523 -1.845 6.360) 10.023 6.509 ( 1.198 3.978 2.437) 4.816 6.596 ( 1.850 8.167 1.227) 8.464 6.730 ( -4.385 9.781 2.709) 11.056 6.949 ( -6.207 5.932 -4.688) 9.782 7.010 ( 1.771 8.920 -3.187) 9.636 7.114 ( 1.187 0.130 4.431) 4.589 7.406 ( -2.184 9.987 -9.094) 13.683 7.652 ( 4.488 4.474 -2.221) 6.715 7.698 ( -1.589 8.371 4.413) 9.596 8.035 ( 0.563 5.668 -1.555) 5.904 8.157 ( 3.785 -1.970 -3.225) 5.349 8.268 ( 1.922 1.394 -1.329) 2.721 8.329 ( -8.237 -0.762 -2.008) 8.513 8.506 ( 4.122 5.769 -0.242) 7.094 8.689 ( 4.374 -2.470 7.248) 8.818 8.780 ( -3.509 3.022 -5.918) 7.514 9.014 ( 5.660 -1.093 0.544) 5.790 9.103 ( 2.517 -3.342 0.553) 4.220 9.144 ( 5.467 -2.654 -1.779) 6.332 9.204 ( 8.769 -0.770 3.031) 9.310 9.392 ( -1.250 3.464 0.955) 3.804 9.481 ( -9.658 -0.243 -7.314) 12.118 9.553 ( 3.378 5.833 4.248) 7.968 9.815 ( -5.626 -1.018 10.036) 11.551 10.008 ( 5.167 -0.170 2.322) 5.667 10.134 ( 6.008 0.952 -9.639) 11.398 10.248 ( 2.290 0.449 -7.995) 8.329 10.514 ( 2.704 -0.626 3.361) 4.359 10.710 ( 8.004 -4.288 1.339) 9.178 10.753 ( -4.547 0.768 -2.018) 5.033 10.847 ( 12.626 -0.135 5.580) 13.805 11.253 ( 3.473 -0.961 4.290) 5.603 11.404 ( 4.010 -4.099 -3.558) 6.748 11.451 ( 4.233 1.429 -0.796) 4.538 11.562 ( 8.214 1.833 -5.656) 10.140 11.754 ( 2.639 -7.634 12.791) 15.128 11.921 ( 4.850 0.610 0.956) 4.981 12.019 ( -9.385 3.197 0.144) 9.915 12.126 ( 2.606 -2.829 -0.456) 3.873 12.160 ( -2.708 -1.585 5.764) 6.563 12.546 ( -5.023 -0.276 -0.822) 5.098 12.756 ( -1.337 -0.024 7.727) 7.842 12.865 ( -2.737 2.985 0.436) 4.074 13.072 ( 4.130 -8.598 -3.550) 10.178 13.360 ( -0.952 -1.192 2.835) 3.219 13.568 ( 1.539 -4.024 -2.495) 4.979 13.633 ( 1.550 -1.382 0.473) 2.129 13.773 ( 2.767 -5.978 -3.425) 7.425 13.895 ( 0.200 -3.066 1.461) 3.402 14.123 ( -5.382 -11.476 5.916) 13.988 14.274 ( -11.183 -2.765 0.436) 11.528 14.383 ( -0.930 -0.006 1.354) 1.643 14.617 ( 1.387 2.349 -15.287) 15.529 15.215 ( 3.782 -14.834 4.419) 15.933 15.482 ( -5.371 -7.181 0.498) 8.981 15.794 ( 4.912 3.881 2.050) 6.588 16.096 ( -3.455 5.114 -6.424) 8.909 16.318 ( 0.719 -1.509 -1.495) 2.242 16.429 ( -0.761 -0.680 1.859) 2.121 17.083 ( 14.418 6.039 11.281) 19.277 17.747 ( -4.903 0.990 -6.899) 8.522 18.123 ( 1.174 -1.911 5.473) 5.915 18.262 ( -1.646 1.314 -0.505) 2.165 19.580 ( -2.811 3.573 0.570) 4.582 19.889 ( -8.220 14.519 -10.776) 19.862 21.807 ( 13.539 -15.233 -2.229) 20.502 22.259 ( -7.128 -20.417 1.025) 21.650 23.322 ( 5.383 6.169 6.257) 10.304 23.858 ( -1.047 14.535 -15.335) 21.154 ======================= Grid point 209 (101/130) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -1.428 15.527 16.316) 22.569 2.166 ( 1.874 7.232 -15.264) 16.994 2.326 ( -2.395 14.794 26.058) 30.060 2.800 ( -3.385 16.472 -17.174) 24.036 2.965 ( -5.363 19.420 8.181) 21.745 3.210 ( 7.597 2.268 -14.864) 16.847 3.768 ( 0.757 8.906 13.958) 16.574 3.970 ( -2.938 -1.138 -6.293) 7.037 4.632 ( -0.861 -3.022 4.926) 5.843 4.742 ( 4.243 -2.398 -4.481) 6.620 5.237 ( 4.639 2.664 5.511) 7.681 5.329 ( -5.303 5.775 -0.482) 7.855 5.406 ( -0.507 -0.041 2.679) 2.727 5.438 ( 3.535 3.190 1.492) 4.990 5.541 ( -3.253 5.332 -2.521) 6.735 5.640 ( -1.041 2.134 -8.717) 9.035 5.938 ( -3.777 0.747 0.401) 3.871 6.002 ( -0.045 -2.599 -5.140) 5.760 6.116 ( -0.779 -0.603 8.218) 8.277 6.253 ( 2.048 2.371 -5.438) 6.276 6.437 ( -1.949 1.637 7.359) 7.786 6.570 ( 3.755 2.681 -4.743) 6.617 6.847 ( -1.060 2.046 4.590) 5.136 6.883 ( -2.353 1.251 -0.491) 2.710 6.921 ( 4.894 13.083 8.266) 16.230 7.167 ( -1.009 6.679 -9.479) 11.640 7.250 ( 3.290 6.225 3.254) 7.756 7.402 ( -3.482 1.770 -8.745) 9.577 7.876 ( -2.119 10.854 3.120) 11.491 7.962 ( 1.861 8.831 -4.639) 10.148 8.121 ( -4.829 2.079 2.568) 5.851 8.172 ( 3.362 6.897 -1.470) 7.812 8.264 ( 3.246 4.479 -0.643) 5.569 8.302 ( -0.569 1.052 -4.051) 4.223 8.606 ( -4.257 -2.785 10.089) 11.299 8.749 ( 5.001 0.192 -0.918) 5.088 8.800 ( 1.544 3.936 -1.428) 4.463 8.940 ( -4.002 -1.013 -6.192) 7.441 9.115 ( -3.431 1.271 3.784) 5.264 9.184 ( 1.605 1.243 0.640) 2.129 9.334 ( 0.955 -1.184 -1.379) 2.053 9.354 ( 3.318 -2.229 -3.247) 5.150 9.483 ( -1.340 4.080 4.223) 6.023 9.565 ( -2.290 3.884 -3.083) 5.462 9.887 ( -1.462 5.127 11.028) 12.249 10.081 ( 0.756 -1.181 1.167) 1.824 10.202 ( 3.503 1.471 -11.336) 11.956 10.214 ( -2.507 1.115 -3.829) 4.711 10.530 ( 2.144 -4.788 4.194) 6.716 10.611 ( -3.418 -3.745 -2.546) 5.674 10.783 ( 5.069 -3.007 4.079) 7.167 10.867 ( -2.475 -2.227 -3.967) 5.179 11.259 ( -1.251 -4.574 4.647) 6.640 11.363 ( -0.209 -2.954 -5.189) 5.975 11.514 ( -6.402 -3.159 2.559) 7.584 11.552 ( 8.554 -4.742 -0.842) 9.817 11.853 ( 5.706 3.602 7.525) 10.107 11.981 ( -5.463 8.463 -3.582) 10.691 12.066 ( 0.474 -1.657 3.266) 3.693 12.126 ( 3.870 -1.348 -0.510) 4.129 12.181 ( 6.855 -2.365 5.464) 9.079 12.296 ( -9.944 -3.190 -3.296) 10.951 12.774 ( -0.369 -1.246 2.144) 2.507 12.804 ( 1.331 -3.395 -2.001) 4.160 13.116 ( 4.162 -0.801 6.306) 7.598 13.227 ( -4.493 -0.688 -3.418) 5.687 13.437 ( -4.467 -4.255 8.921) 10.846 13.602 ( -0.973 -3.896 -4.944) 6.369 13.711 ( -5.211 -10.330 3.835) 12.189 13.796 ( 7.123 -7.362 -0.993) 10.292 13.931 ( -2.740 -2.399 4.201) 5.559 14.059 ( 2.001 -8.273 -8.083) 11.738 14.319 ( -4.410 0.854 11.348) 12.204 14.694 ( 8.539 2.044 -25.406) 26.880 15.162 ( 3.975 -3.837 4.133) 6.900 15.237 ( -1.921 -2.667 -2.890) 4.377 15.848 ( -1.005 -7.733 6.234) 9.984 15.993 ( 1.003 -4.403 -7.066) 8.386 16.349 ( 4.472 -0.652 0.226) 4.525 16.364 ( -3.733 -0.537 -1.212) 3.961 17.423 ( 8.834 -0.174 5.676) 10.502 17.545 ( -11.527 -1.854 -5.553) 12.928 18.169 ( 4.957 -0.009 5.469) 7.381 18.234 ( -3.005 0.374 -1.299) 3.295 19.862 ( 3.192 15.039 7.390) 17.058 20.063 ( -2.128 17.808 -12.759) 22.010 21.567 ( -13.131 -20.912 11.591) 27.278 21.754 ( 12.081 -16.508 -7.035) 21.632 23.511 ( -14.200 5.713 23.618) 28.144 24.007 ( 8.814 7.739 -25.053) 27.663 ======================= Grid point 210 (102/130) ======================= q-point: ( 0.10 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 6.638 17.865 14.450) 23.917 2.203 ( 7.301 4.554 -15.536) 17.760 2.447 ( 4.266 13.940 26.994) 30.679 2.664 ( -2.332 17.128 -8.621) 19.317 2.935 ( 3.484 4.263 -1.703) 5.763 3.444 ( 16.169 15.486 -6.068) 23.196 3.844 ( 3.481 5.618 5.636) 8.686 3.918 ( -0.761 -4.722 -0.764) 4.843 4.569 ( -4.502 -4.747 -3.292) 7.324 4.810 ( 1.952 -0.881 0.497) 2.199 5.207 ( -4.491 8.608 -3.000) 10.162 5.324 ( 1.207 2.011 4.061) 4.689 5.378 ( -4.343 4.933 -0.176) 6.575 5.466 ( 1.710 3.245 -3.386) 4.992 5.523 ( 1.915 0.480 1.844) 2.702 5.641 ( 2.036 0.137 0.101) 2.043 5.865 ( -3.741 4.090 3.592) 6.605 5.983 ( -0.954 -6.808 -1.104) 6.962 6.112 ( -1.974 1.906 5.301) 5.969 6.320 ( 6.216 2.711 -5.021) 8.438 6.411 ( 0.275 4.077 -0.083) 4.088 6.587 ( -3.107 3.427 0.498) 4.652 6.752 ( -5.236 2.454 1.333) 5.934 6.953 ( 4.209 5.336 3.403) 7.600 7.057 ( 4.328 9.128 5.177) 11.352 7.144 ( 5.339 7.471 -11.231) 14.507 7.283 ( -3.619 -0.142 -3.599) 5.106 7.347 ( 2.900 6.764 -0.000) 7.360 7.795 ( -5.837 10.085 2.409) 11.899 7.990 ( 0.082 6.799 -2.222) 7.153 8.087 ( -1.054 3.736 3.437) 5.185 8.183 ( -1.091 6.390 -3.030) 7.155 8.300 ( 4.684 0.668 -0.450) 4.753 8.384 ( 6.851 7.177 -3.894) 10.659 8.542 ( -5.306 1.228 8.867) 10.406 8.783 ( -5.279 -0.594 -5.582) 7.706 8.796 ( 0.609 4.806 -3.154) 5.781 8.904 ( 2.999 -2.346 3.401) 5.106 9.046 ( -4.467 6.104 3.872) 8.498 9.157 ( -4.530 -0.566 0.071) 4.566 9.268 ( -4.642 -1.405 -5.728) 7.506 9.388 ( -0.075 -1.106 -0.135) 1.116 9.443 ( 0.054 5.112 4.473) 6.793 9.642 ( 3.870 0.406 0.226) 3.897 9.864 ( -4.232 5.143 10.104) 12.102 10.053 ( -4.523 0.762 -5.257) 6.977 10.143 ( 0.233 -0.111 -4.636) 4.643 10.196 ( -1.664 0.261 -2.044) 2.649 10.517 ( -2.206 -3.300 0.340) 3.984 10.623 ( -0.268 -3.501 1.155) 3.696 10.792 ( -0.963 -1.695 -4.032) 4.478 10.853 ( 0.163 -0.523 1.335) 1.443 11.203 ( -6.324 -6.429 5.466) 10.545 11.310 ( -4.590 -2.357 -4.813) 7.056 11.349 ( -8.712 -2.628 1.957) 9.308 11.634 ( 1.031 -4.047 -1.753) 4.529 11.851 ( -6.443 7.409 -4.710) 10.890 11.955 ( -10.925 -1.508 -2.365) 11.279 12.031 ( 3.292 -1.357 2.368) 4.277 12.069 ( 0.213 0.926 2.072) 2.280 12.179 ( 2.137 -3.522 -1.534) 4.396 12.463 ( 12.015 -4.781 5.133) 13.913 12.729 ( -5.123 -3.324 1.253) 6.234 12.834 ( 1.378 -4.193 -2.356) 5.003 13.063 ( -4.099 1.914 0.926) 4.618 13.294 ( 0.136 -2.133 6.342) 6.692 13.434 ( 5.147 -3.876 6.355) 9.050 13.490 ( -8.003 -3.602 2.060) 9.014 13.631 ( -4.669 -6.792 -2.654) 8.659 13.789 ( -4.379 -4.947 1.058) 6.691 13.980 ( 6.379 -6.529 -0.298) 9.133 14.127 ( 4.550 -11.280 -2.591) 12.436 14.333 ( 1.663 2.213 7.855) 8.329 14.760 ( 7.329 0.070 -22.378) 23.547 15.063 ( -5.665 -6.357 -1.248) 8.606 15.407 ( 11.234 -2.034 -2.526) 11.693 15.831 ( -2.781 -5.300 5.205) 7.932 16.021 ( 4.313 -3.807 -6.241) 8.488 16.273 ( -3.430 0.018 0.662) 3.493 16.439 ( 3.502 -1.384 -1.579) 4.083 17.277 ( -10.578 -0.987 -2.281) 10.866 17.596 ( 1.843 -0.949 8.230) 8.488 18.181 ( -1.513 -0.802 -2.933) 3.397 18.278 ( 4.517 2.469 2.173) 5.588 19.823 ( -3.455 11.521 -2.584) 12.302 20.120 ( 6.893 17.373 -3.263) 18.973 21.340 ( -12.122 -16.714 9.030) 22.535 21.968 ( 10.318 -14.488 -4.418) 18.327 23.258 ( -18.435 2.971 21.902) 28.782 24.091 ( 5.414 9.172 -14.587) 18.062 ======================= Grid point 211 (103/130) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 4.501 15.940 9.115) 18.905 2.281 ( 6.255 4.938 -11.616) 14.087 2.649 ( 5.590 12.846 20.250) 24.624 2.769 ( 16.793 12.565 -4.366) 21.423 3.078 ( 10.145 7.818 3.537) 13.287 3.652 ( 6.267 10.278 -4.483) 12.846 3.907 ( 1.250 -15.394 -3.190) 15.771 3.974 ( 6.571 10.698 2.892) 12.884 4.485 ( -0.603 -4.666 -5.537) 7.266 4.838 ( 1.306 -4.602 4.024) 6.251 5.141 ( -1.434 10.924 -4.427) 11.874 5.268 ( -6.247 6.233 -3.817) 9.615 5.326 ( -1.269 4.698 3.063) 5.750 5.500 ( 1.731 -2.259 0.160) 2.851 5.608 ( 6.093 3.665 -5.409) 8.934 5.685 ( 2.060 -3.684 7.359) 8.483 5.825 ( -1.946 6.188 3.446) 7.345 5.975 ( 0.455 -9.551 1.492) 9.677 6.102 ( -0.961 4.350 4.726) 6.495 6.410 ( 4.307 7.262 -5.808) 10.248 6.433 ( -1.947 3.988 2.329) 5.012 6.506 ( -0.629 1.952 -1.892) 2.791 6.702 ( -0.902 4.860 1.260) 5.101 6.989 ( -0.863 1.623 2.978) 3.499 7.147 ( 3.755 8.396 -0.755) 9.228 7.196 ( -0.072 4.830 -5.627) 7.416 7.270 ( 7.752 4.429 -1.096) 8.995 7.395 ( 1.925 7.211 -2.720) 7.944 7.692 ( -6.224 8.870 2.095) 11.037 7.920 ( -6.638 6.241 -0.987) 9.165 8.056 ( -3.598 2.525 2.987) 5.314 8.169 ( 0.080 6.987 -3.865) 7.986 8.369 ( 0.518 5.354 0.009) 5.379 8.451 ( -0.882 4.500 4.025) 6.102 8.547 ( 5.020 9.235 2.330) 10.766 8.668 ( -2.957 0.864 -6.726) 7.398 8.759 ( -2.979 5.586 1.785) 6.578 8.940 ( -2.424 -2.367 0.745) 3.469 9.011 ( -1.244 8.327 3.162) 8.994 9.055 ( -3.315 -0.031 -0.566) 3.363 9.175 ( -2.487 1.156 -3.936) 4.797 9.379 ( -1.719 -1.877 0.941) 2.714 9.482 ( 0.263 4.000 7.528) 8.529 9.622 ( -3.377 -0.477 -2.067) 3.988 9.840 ( -2.633 4.590 7.214) 8.947 9.881 ( -9.762 3.261 -4.715) 11.321 10.117 ( -3.225 -1.521 0.254) 3.575 10.235 ( 5.982 -1.062 -3.626) 7.075 10.456 ( -4.298 -1.352 -0.671) 4.556 10.542 ( -5.879 -2.657 -2.635) 6.969 10.730 ( -7.257 -1.130 -2.438) 7.738 10.875 ( 3.154 1.515 0.067) 3.500 11.057 ( -10.040 -6.079 2.626) 12.027 11.206 ( -2.725 -4.418 3.329) 6.166 11.275 ( -2.258 -2.488 0.748) 3.442 11.570 ( -12.339 -9.002 -4.973) 16.063 11.599 ( -8.182 5.128 -6.244) 11.499 11.836 ( -3.819 2.342 1.240) 4.648 12.022 ( -0.228 -1.896 -1.372) 2.351 12.165 ( 3.563 -0.909 2.414) 4.398 12.245 ( 5.322 -3.194 -1.607) 6.412 12.592 ( -8.531 -6.787 5.059) 12.018 12.681 ( 9.454 -3.866 2.527) 10.522 12.823 ( -1.538 -1.942 -3.506) 4.293 13.045 ( 0.340 4.257 4.946) 6.535 13.253 ( -4.561 -1.498 6.293) 7.915 13.352 ( -6.135 -0.395 -0.995) 6.228 13.552 ( -2.148 -7.343 -1.023) 7.719 13.617 ( 8.834 -6.833 1.616) 11.285 13.698 ( -5.874 -7.422 1.500) 9.583 14.103 ( 6.699 -7.713 0.351) 10.222 14.191 ( 2.876 -9.212 -0.234) 9.653 14.407 ( 2.955 -0.961 4.276) 5.286 14.765 ( 0.706 -0.526 -15.988) 16.012 14.998 ( -0.110 -9.139 -3.828) 9.909 15.557 ( 5.412 -3.727 -7.459) 9.941 15.777 ( -3.851 -1.251 3.838) 5.579 16.092 ( 5.416 -2.890 -4.883) 7.844 16.304 ( 5.321 2.436 6.647) 8.856 16.461 ( 0.846 -4.121 -4.116) 5.886 17.128 ( -4.565 3.564 -3.690) 6.867 17.573 ( -7.772 -0.205 12.689) 14.881 18.158 ( 0.578 -1.227 -3.749) 3.987 18.339 ( 1.181 3.970 0.911) 4.241 19.799 ( 1.898 7.051 -4.585) 8.622 20.206 ( 3.130 10.707 -2.264) 11.383 21.227 ( -2.911 -11.358 6.616) 13.463 22.075 ( 2.395 -10.656 -2.584) 11.223 23.052 ( -11.457 0.158 18.866) 22.073 24.051 ( -4.896 8.066 -8.908) 12.976 ======================= Grid point 212 (104/130) ======================= q-point: ( 0.30 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 9.610 2.806 4.620) 11.026 2.369 ( 7.381 11.293 -3.240) 13.875 2.841 ( 8.226 12.424 9.758) 17.812 3.081 ( 13.497 15.784 -0.156) 20.769 3.287 ( 9.530 9.566 3.853) 14.042 3.656 ( -2.033 6.178 -10.047) 11.968 3.828 ( -7.804 -19.436 0.738) 20.958 4.139 ( 10.854 7.026 -5.261) 13.959 4.549 ( 5.828 -6.165 2.718) 8.908 4.885 ( 0.787 -3.478 5.554) 6.600 5.120 ( -3.933 6.988 1.519) 8.161 5.144 ( 1.839 11.689 -10.499) 15.819 5.344 ( 1.693 -1.429 2.836) 3.599 5.497 ( -0.665 2.687 -1.856) 3.332 5.628 ( -3.290 3.672 -0.940) 5.019 5.765 ( 2.633 0.648 6.792) 7.313 5.892 ( 9.384 3.578 -3.316) 10.576 6.015 ( 2.811 -8.677 2.337) 9.415 6.118 ( 0.886 3.072 4.810) 5.775 6.315 ( -8.144 -1.309 3.703) 9.041 6.442 ( -0.376 11.427 -1.985) 11.604 6.549 ( 3.243 0.974 -5.397) 6.372 6.735 ( 4.063 3.796 1.026) 5.654 6.970 ( -2.273 1.331 3.837) 4.654 7.157 ( 1.701 1.279 -2.414) 3.218 7.280 ( 6.566 12.061 -5.033) 14.626 7.357 ( -0.555 4.468 4.947) 6.689 7.450 ( 7.603 9.107 -7.183) 13.868 7.579 ( -6.010 5.400 0.693) 8.109 7.768 ( -8.595 7.887 -0.334) 11.670 7.959 ( -7.758 3.345 4.007) 9.351 8.140 ( -1.910 7.556 -4.140) 8.825 8.307 ( -4.339 5.731 2.521) 7.617 8.496 ( 3.372 11.395 -0.191) 11.885 8.580 ( -2.900 9.370 4.960) 10.992 8.617 ( -0.965 3.697 -4.789) 6.126 8.794 ( 3.881 3.489 -2.951) 5.995 8.839 ( -3.548 -1.596 -0.281) 3.900 8.974 ( -1.914 3.618 2.887) 5.009 9.066 ( 0.629 7.816 0.652) 7.868 9.150 ( 0.569 1.262 -3.402) 3.673 9.281 ( -9.023 4.125 1.229) 9.997 9.475 ( -1.943 -0.374 3.870) 4.346 9.602 ( -0.913 -1.204 4.010) 4.285 9.721 ( -4.184 1.343 1.032) 4.514 9.800 ( -3.512 3.864 3.741) 6.423 10.063 ( -3.299 -0.310 1.741) 3.744 10.269 ( -1.980 2.494 -2.261) 3.905 10.368 ( -3.898 -0.996 -2.782) 4.892 10.443 ( -4.265 -1.531 -5.952) 7.480 10.573 ( -5.687 -5.643 0.198) 8.015 10.874 ( -3.915 -5.155 -7.326) 9.776 10.937 ( -2.702 0.027 6.651) 7.179 11.157 ( -6.861 -5.501 0.629) 8.816 11.245 ( -2.850 -0.543 3.636) 4.652 11.322 ( -5.370 -5.465 -3.862) 8.580 11.490 ( -3.980 1.418 -1.421) 4.457 11.718 ( -6.933 1.105 -3.088) 7.670 12.070 ( 4.136 -4.714 1.636) 6.481 12.222 ( 2.294 -1.576 -1.031) 2.968 12.270 ( -3.664 0.343 2.210) 4.293 12.522 ( -0.418 -4.447 7.896) 9.072 12.727 ( -4.814 -0.373 -3.225) 5.806 12.899 ( 10.969 -3.777 1.540) 11.703 13.085 ( 1.084 1.192 4.782) 5.046 13.191 ( -4.214 1.753 -3.440) 5.715 13.262 ( -1.600 1.589 -0.419) 2.294 13.539 ( -0.057 -8.987 4.046) 9.856 13.590 ( -4.341 -8.433 0.872) 9.524 13.759 ( 4.889 -10.815 0.668) 11.888 14.220 ( 4.519 -8.459 1.682) 9.737 14.232 ( 1.721 -6.782 0.298) 7.004 14.462 ( 1.762 -5.209 0.596) 5.531 14.676 ( -3.730 -0.955 -11.123) 11.770 15.013 ( 3.115 -9.245 -5.742) 11.320 15.501 ( -5.838 -4.229 -11.438) 13.520 15.790 ( 1.677 -0.793 9.389) 9.570 16.163 ( 3.242 0.650 -5.188) 6.152 16.442 ( 5.213 -4.077 0.973) 6.688 16.526 ( 8.690 2.612 3.195) 9.620 17.046 ( -2.552 6.802 -6.729) 9.902 17.441 ( -10.656 0.447 12.743) 16.617 18.179 ( 3.108 -0.936 -3.926) 5.094 18.334 ( -2.091 4.026 2.192) 5.039 19.822 ( 0.648 5.747 1.340) 5.937 20.228 ( 1.748 2.050 -8.923) 9.321 21.272 ( 4.762 -7.062 5.203) 9.981 22.042 ( -4.765 -7.643 -1.573) 9.143 22.976 ( -4.047 -1.511 16.178) 16.745 23.863 ( -10.688 6.470 -8.215) 14.953 ======================= Grid point 213 (105/130) ======================= q-point: ( 0.40 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 6.538 4.053 6.786) 10.258 2.596 ( 16.887 4.814 0.281) 17.562 2.978 ( 2.332 12.952 -0.264) 13.163 3.216 ( 1.593 15.410 4.987) 16.275 3.386 ( -8.199 -3.581 0.017) 8.947 3.473 ( -2.601 7.263 -15.032) 16.896 3.845 ( 9.636 -4.425 2.925) 11.000 4.264 ( 1.555 0.624 -6.424) 6.639 4.629 ( 2.372 -5.233 6.371) 8.579 4.878 ( -4.743 -2.914 3.836) 6.761 5.096 ( 3.406 10.343 1.320) 10.969 5.205 ( 4.938 10.304 -5.851) 12.837 5.367 ( -1.623 2.150 0.706) 2.785 5.527 ( -4.373 8.952 -3.024) 10.412 5.557 ( 8.909 0.522 -0.680) 8.950 5.843 ( 1.474 -0.829 7.319) 7.512 6.041 ( -2.637 -0.214 3.771) 4.607 6.062 ( 9.118 2.853 -6.848) 11.754 6.180 ( 2.028 -3.604 4.111) 5.831 6.185 ( -4.183 -9.105 2.918) 10.437 6.410 ( -1.765 8.351 0.792) 8.572 6.555 ( -0.451 0.681 -4.732) 4.802 6.840 ( 5.799 2.764 0.624) 6.455 6.938 ( -2.357 1.925 3.193) 4.411 7.190 ( 0.594 4.037 0.969) 4.194 7.290 ( -1.116 8.313 -4.987) 9.758 7.412 ( 4.366 4.070 -1.750) 6.220 7.496 ( -2.414 2.001 -0.247) 3.145 7.568 ( 5.719 9.271 -2.547) 11.187 7.622 ( -5.998 7.140 0.054) 9.326 7.836 ( -5.853 6.621 4.859) 10.085 8.061 ( -4.242 9.984 -4.792) 11.859 8.275 ( -1.080 7.090 6.505) 9.682 8.535 ( 0.767 11.495 -5.667) 12.839 8.547 ( -1.599 6.992 2.950) 7.755 8.591 ( 0.343 4.322 -4.489) 6.241 8.718 ( -1.808 4.362 -1.963) 5.113 8.936 ( 3.501 2.169 1.945) 4.554 8.971 ( 0.419 4.665 0.522) 4.713 8.996 ( -8.866 9.438 -3.974) 13.546 9.111 ( 1.882 2.833 -1.912) 3.901 9.206 ( -1.403 5.789 4.539) 7.489 9.473 ( -0.373 -3.334 6.024) 6.895 9.560 ( -3.102 2.172 4.089) 5.573 9.751 ( 2.942 -1.324 7.157) 7.851 9.769 ( 0.365 2.657 0.386) 2.710 9.977 ( -6.357 -0.805 0.726) 6.448 10.198 ( -5.367 4.396 -1.962) 7.209 10.264 ( -5.945 -0.328 -1.500) 6.140 10.331 ( -1.104 -1.792 -8.390) 8.650 10.559 ( 0.962 -10.515 2.306) 10.807 10.768 ( -3.681 -3.810 -6.131) 8.102 10.913 ( -3.141 -0.637 5.869) 6.687 11.017 ( -4.030 -5.820 -2.254) 7.429 11.194 ( -5.171 0.402 3.435) 6.221 11.254 ( -2.019 -1.564 -3.766) 4.551 11.464 ( 0.529 -0.268 2.728) 2.792 11.615 ( -1.928 -0.014 -4.545) 4.937 12.152 ( 3.118 -6.002 2.957) 7.382 12.189 ( -4.907 -0.659 5.997) 7.777 12.262 ( 2.735 3.429 -0.232) 4.392 12.564 ( -0.241 1.904 5.311) 5.647 12.624 ( -3.483 -1.153 -2.639) 4.519 13.007 ( -7.589 1.778 -8.413) 11.468 13.100 ( 5.037 -1.986 -0.317) 5.424 13.126 ( 2.285 -2.951 0.702) 3.798 13.334 ( 6.927 0.629 4.847) 8.478 13.556 ( -1.046 -8.201 6.191) 10.329 13.581 ( 3.984 -9.607 -0.851) 10.435 13.799 ( -1.012 -11.649 -0.828) 11.722 14.238 ( -1.571 -3.140 5.564) 6.580 14.292 ( 2.837 -10.344 -2.516) 11.018 14.468 ( -0.471 -9.926 -3.697) 10.602 14.580 ( -2.009 -2.908 -7.420) 8.219 15.059 ( 3.976 -7.518 -5.700) 10.237 15.325 ( -7.827 -3.599 -8.521) 12.117 15.863 ( 1.513 -0.644 11.245) 11.365 16.168 ( 0.269 1.054 -6.809) 6.895 16.549 ( 4.942 -2.383 2.100) 5.875 16.694 ( 4.546 2.296 3.907) 6.419 17.008 ( 3.244 6.194 -5.656) 8.993 17.291 ( -8.875 4.601 6.112) 11.717 18.235 ( 3.906 -0.126 -2.915) 4.875 18.286 ( -4.127 2.715 4.190) 6.477 19.832 ( -1.498 4.774 9.280) 10.543 20.209 ( 1.853 -2.112 -17.124) 17.353 21.425 ( 8.892 -5.783 4.967) 11.712 21.901 ( -9.042 -5.944 -1.821) 10.972 23.016 ( 1.571 -1.089 15.485) 15.602 23.625 ( -10.024 4.247 -10.056) 14.820 ======================= Grid point 214 (106/130) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 2.647 10.166 14.188) 17.654 2.792 ( -2.888 9.953 -7.111) 12.569 3.032 ( -14.924 -2.762 -1.424) 15.244 3.059 ( 12.644 -4.320 -3.612) 13.842 3.240 ( -5.392 11.141 9.223) 15.435 3.509 ( 7.018 13.057 -14.946) 21.050 4.061 ( 4.023 0.103 4.088) 5.737 4.143 ( -4.942 -1.039 -3.761) 6.296 4.711 ( -2.300 -3.195 6.803) 7.860 4.804 ( 3.374 -1.181 -1.724) 3.969 5.178 ( 0.815 10.408 1.207) 10.509 5.237 ( -0.251 6.129 -3.517) 7.071 5.345 ( 1.959 8.749 2.998) 9.454 5.446 ( -2.088 6.336 -5.990) 8.966 5.744 ( -1.341 2.832 2.092) 3.767 5.805 ( 0.985 3.040 -2.599) 4.119 5.997 ( -1.052 -2.488 9.504) 9.881 6.140 ( 0.998 -2.869 -1.313) 3.309 6.177 ( -0.804 -5.646 1.323) 5.855 6.229 ( 3.465 -6.806 -4.107) 8.671 6.401 ( -1.564 5.349 5.139) 7.581 6.519 ( 0.236 0.716 -4.860) 4.918 6.874 ( -2.991 0.471 4.344) 5.295 6.968 ( 5.070 3.082 -3.708) 6.996 7.166 ( -2.675 6.497 4.152) 8.161 7.272 ( 0.842 4.146 -5.605) 7.022 7.435 ( -2.538 6.054 1.451) 6.723 7.490 ( 1.897 2.738 -3.070) 4.530 7.546 ( -2.574 5.431 3.339) 6.876 7.617 ( 0.963 4.235 -3.617) 5.652 7.836 ( 3.528 11.326 5.605) 13.120 7.971 ( -1.846 9.905 -6.602) 12.046 8.301 ( 0.135 8.260 8.719) 12.011 8.483 ( -3.131 5.067 -6.683) 8.952 8.537 ( 0.618 8.678 0.771) 8.734 8.607 ( 3.470 4.944 -5.550) 8.202 8.759 ( 4.476 10.568 0.787) 11.504 8.798 ( -6.772 9.887 -2.849) 12.318 8.958 ( -0.333 2.792 2.948) 4.074 9.007 ( 1.015 2.503 -1.530) 3.104 9.159 ( -3.908 6.536 2.442) 7.997 9.207 ( 5.707 3.735 -2.111) 7.140 9.488 ( -1.105 -1.288 8.418) 8.587 9.567 ( 2.814 0.841 1.385) 3.247 9.811 ( -1.407 0.821 -0.039) 1.630 9.825 ( 4.825 1.314 -2.440) 5.565 9.905 ( 1.925 -1.464 8.434) 8.774 10.069 ( -4.005 0.627 -5.796) 7.073 10.201 ( -2.070 -1.218 1.674) 2.928 10.280 ( -2.437 -2.238 -5.685) 6.578 10.596 ( 1.073 -8.512 5.249) 10.058 10.701 ( -1.353 -4.104 -3.918) 5.833 10.893 ( -0.416 -2.201 4.340) 4.884 10.976 ( 0.111 -1.887 -3.152) 3.675 11.132 ( -1.007 -0.182 3.773) 3.909 11.226 ( 1.048 -0.821 -4.943) 5.119 11.493 ( 0.755 -1.038 3.675) 3.893 11.591 ( 0.414 0.735 -5.233) 5.300 12.136 ( -3.330 -1.831 6.912) 7.888 12.200 ( 1.197 -4.483 1.026) 4.752 12.352 ( 5.603 5.334 4.536) 8.968 12.489 ( -4.485 4.097 -6.949) 9.230 12.635 ( 0.735 -0.481 9.376) 9.417 12.827 ( -6.482 1.227 -5.394) 8.522 13.136 ( -0.140 -3.267 -1.269) 3.508 13.192 ( 5.249 -4.577 -6.137) 9.282 13.494 ( 2.403 -4.082 5.106) 6.965 13.543 ( 0.880 1.166 5.592) 5.780 13.690 ( 5.150 -15.830 -2.949) 16.905 13.717 ( -4.913 -8.915 -2.515) 10.486 14.225 ( -2.102 -3.284 5.596) 6.820 14.334 ( 3.388 -9.758 -1.466) 10.433 14.441 ( -0.593 -10.856 -1.896) 11.036 14.529 ( -0.709 -6.422 -8.916) 11.011 15.111 ( 1.587 -5.510 -1.490) 5.924 15.169 ( -3.922 -3.578 -6.599) 8.469 15.930 ( 0.910 -0.558 11.470) 11.520 16.133 ( -0.912 0.816 -7.835) 7.930 16.560 ( -7.138 -3.329 10.695) 13.282 16.762 ( 6.056 3.855 -6.449) 9.650 17.048 ( -7.465 6.041 8.373) 12.741 17.242 ( 9.726 7.087 -9.672) 15.439 18.209 ( -5.747 1.213 6.733) 8.935 18.299 ( 3.354 0.519 -2.355) 4.131 19.837 ( -2.959 2.036 13.156) 13.638 20.186 ( 4.149 -0.631 -20.558) 20.982 21.619 ( 7.709 -7.405 6.039) 12.277 21.714 ( -8.017 -4.993 -3.581) 10.101 23.131 ( 2.662 1.364 17.041) 17.301 23.450 ( -2.195 1.915 -13.539) 13.849 ======================= Grid point 215 (107/130) ======================= q-point: (-0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -11.781 7.723 2.717) 14.346 2.643 ( -13.571 12.261 -4.201) 18.766 2.807 ( -1.318 6.354 10.825) 12.621 3.122 ( -8.212 10.724 4.823) 14.342 3.402 ( 16.520 -6.163 -0.916) 17.656 3.540 ( -0.664 12.385 -8.681) 15.139 3.894 ( -7.988 -1.808 -4.854) 9.520 4.176 ( -2.958 3.995 2.289) 5.472 4.711 ( 3.651 -7.876 0.114) 8.682 4.900 ( 1.616 -3.511 1.882) 4.299 5.112 ( -6.125 15.330 -1.213) 16.553 5.175 ( -2.342 3.837 -2.703) 5.246 5.389 ( -1.477 2.996 -1.204) 3.550 5.484 ( 8.306 9.210 0.847) 12.431 5.545 ( -10.210 -1.504 0.115) 10.321 5.894 ( 1.471 5.977 -0.370) 6.167 5.963 ( -7.125 -0.864 4.008) 8.221 6.090 ( -2.876 -1.846 1.136) 3.602 6.199 ( -3.820 -8.519 2.231) 9.600 6.265 ( 7.322 -4.460 -3.948) 9.439 6.408 ( 1.359 9.715 0.765) 9.839 6.519 ( -0.432 -1.566 -2.033) 2.603 6.828 ( -2.442 -0.756 -0.131) 2.559 7.010 ( -0.183 1.468 0.482) 1.556 7.166 ( 0.703 9.610 -0.483) 9.648 7.261 ( -1.277 6.942 0.271) 7.064 7.364 ( -3.356 6.792 0.706) 7.608 7.516 ( -0.931 1.665 0.811) 2.073 7.532 ( 2.249 4.419 -2.489) 5.548 7.632 ( 2.758 9.189 -0.252) 9.597 7.928 ( 4.674 4.988 -1.512) 7.001 8.002 ( 6.470 10.786 -0.867) 12.608 8.307 ( -4.076 9.032 6.738) 11.983 8.426 ( 0.529 5.841 -1.660) 6.095 8.572 ( 2.724 8.852 -1.609) 9.400 8.670 ( 5.427 5.343 -6.347) 9.914 8.702 ( -1.367 7.253 -0.308) 7.387 8.891 ( 5.789 6.802 3.916) 9.753 8.951 ( -0.951 3.997 0.140) 4.111 9.013 ( 0.521 1.550 -2.048) 2.621 9.077 ( -3.524 5.217 0.934) 6.364 9.289 ( 3.375 5.800 -2.772) 7.260 9.512 ( 0.637 -1.929 3.608) 4.140 9.612 ( 0.632 0.180 -1.835) 1.950 9.781 ( 2.481 1.708 -0.694) 3.091 9.915 ( 2.839 1.513 -6.057) 6.858 10.010 ( 0.632 -2.624 5.900) 6.488 10.050 ( 5.814 -1.493 0.979) 6.082 10.206 ( 0.643 0.102 2.604) 2.684 10.238 ( 3.307 0.718 1.394) 3.660 10.616 ( 0.110 -4.805 4.145) 6.347 10.677 ( -0.669 -8.282 -3.355) 8.961 10.946 ( 5.667 -0.435 1.821) 5.968 11.003 ( 2.111 -3.515 -1.418) 4.338 11.172 ( 2.738 -1.766 4.897) 5.882 11.274 ( 6.260 0.212 -5.160) 8.116 11.528 ( 2.224 -0.367 3.735) 4.362 11.562 ( -1.533 1.698 -5.887) 6.316 12.117 ( -1.373 -3.873 4.965) 6.445 12.202 ( -1.934 -2.970 2.318) 4.235 12.375 ( -2.454 1.924 -6.108) 6.858 12.489 ( 4.674 5.627 3.603) 8.154 12.694 ( 1.043 -0.503 2.903) 3.125 12.769 ( 2.383 1.933 6.586) 7.266 13.143 ( 2.397 -2.753 -2.860) 4.637 13.195 ( -4.450 -11.489 -6.653) 14.002 13.411 ( -7.081 1.430 1.624) 7.405 13.606 ( 0.910 -10.279 -7.225) 12.597 13.658 ( 2.789 1.683 1.320) 3.515 13.758 ( 0.305 -15.296 2.176) 15.453 14.189 ( -4.088 -5.741 5.204) 8.761 14.416 ( 4.346 -8.977 -0.190) 9.975 14.436 ( -0.815 -9.768 0.007) 9.802 14.493 ( 2.829 -3.837 -10.874) 11.873 15.036 ( -4.113 -3.086 -1.204) 5.282 15.205 ( 4.346 -6.333 0.232) 7.684 15.975 ( -1.145 -0.573 7.729) 7.835 16.083 ( -0.725 0.228 -5.606) 5.657 16.435 ( -8.679 -7.408 8.715) 14.358 16.845 ( -0.837 3.333 -7.859) 8.578 16.871 ( -6.558 15.155 8.724) 18.676 17.459 ( 14.603 2.718 -9.755) 17.771 18.125 ( -5.947 -0.587 7.802) 9.828 18.340 ( 1.615 1.337 -1.006) 2.325 19.808 ( -4.917 -0.853 9.786) 10.985 20.222 ( 7.059 3.735 -16.342) 18.189 21.511 ( -8.483 -5.529 -3.408) 10.684 21.819 ( 7.292 -10.267 5.997) 13.948 23.184 ( -1.166 3.772 6.739) 7.810 23.508 ( 11.564 1.778 -5.682) 13.006 ======================= Grid point 216 (108/130) ======================= q-point: (-0.30 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -10.537 11.212 1.856) 15.498 2.359 ( -12.863 14.620 -2.718) 19.662 2.807 ( -7.504 13.079 9.240) 17.685 3.019 ( -3.345 9.198 4.918) 10.953 3.390 ( -12.098 7.889 -1.926) 14.571 3.576 ( 1.729 1.903 -0.326) 2.592 3.836 ( 1.920 -6.033 -3.139) 7.067 4.114 ( -1.023 6.444 -2.717) 7.068 4.650 ( -11.157 -3.013 -7.036) 13.530 4.865 ( -4.283 -7.346 8.230) 11.834 5.053 ( -0.271 6.112 -2.013) 6.440 5.175 ( 3.360 4.605 -2.353) 6.167 5.386 ( 2.323 5.769 -1.976) 6.526 5.441 ( -1.007 -2.410 3.126) 4.074 5.591 ( 0.303 2.382 0.905) 2.566 5.841 ( -3.810 5.682 -0.821) 6.890 5.874 ( -1.417 3.606 -1.075) 4.021 6.039 ( -3.623 -7.626 2.175) 8.718 6.173 ( 0.145 -0.040 0.633) 0.651 6.334 ( 0.309 4.566 0.665) 4.624 6.459 ( 2.873 3.051 -0.427) 4.212 6.466 ( -3.059 0.998 -0.871) 3.334 6.788 ( -0.786 0.120 -4.693) 4.759 6.996 ( -1.779 1.047 3.019) 3.657 7.117 ( -4.955 3.970 2.977) 7.012 7.230 ( -1.989 12.567 -2.030) 12.884 7.327 ( -3.116 10.685 0.829) 11.161 7.474 ( -0.083 -0.467 -4.164) 4.191 7.623 ( 7.506 8.194 -3.339) 11.603 7.736 ( 6.874 8.036 2.758) 10.929 8.009 ( 3.553 1.907 -1.202) 4.208 8.132 ( 6.934 10.105 -2.506) 12.509 8.246 ( -2.800 7.970 6.900) 10.908 8.466 ( 2.183 6.734 1.904) 7.331 8.592 ( 0.132 5.622 -1.728) 5.883 8.743 ( 2.656 5.540 0.687) 6.182 8.747 ( 5.672 7.328 -8.752) 12.747 8.868 ( -1.575 -1.210 -2.169) 2.940 9.015 ( 0.839 1.013 -1.323) 1.866 9.021 ( 1.458 0.343 6.982) 7.141 9.072 ( 2.131 9.794 -0.168) 10.024 9.341 ( 4.722 6.041 -2.202) 7.977 9.497 ( -1.885 -3.302 -0.605) 3.850 9.653 ( 4.206 1.127 0.926) 4.452 9.827 ( -3.197 -1.409 -8.292) 8.998 9.883 ( 4.643 0.122 -4.767) 6.655 10.017 ( -2.252 0.242 10.730) 10.967 10.198 ( 6.519 4.164 -0.521) 7.753 10.279 ( 6.546 -1.432 4.118) 7.865 10.391 ( 8.113 4.024 2.456) 9.383 10.632 ( 0.621 -6.891 -5.270) 8.698 10.705 ( 5.255 -5.175 7.855) 10.775 11.014 ( 1.547 -3.686 -2.026) 4.482 11.110 ( 8.712 -3.435 3.360) 9.949 11.248 ( 3.588 -2.126 2.787) 5.016 11.371 ( 4.835 -2.616 -6.192) 8.280 11.504 ( -1.441 2.090 -2.772) 3.758 11.652 ( 9.858 2.740 3.166) 10.711 12.087 ( -4.055 -4.631 0.711) 6.196 12.164 ( -2.172 -3.078 3.300) 5.008 12.337 ( -0.774 0.844 -4.166) 4.321 12.557 ( 1.332 2.797 4.634) 5.574 12.703 ( 0.807 -2.073 0.577) 2.299 12.912 ( 2.329 -1.695 7.458) 7.995 13.024 ( -4.009 -10.708 -5.378) 12.635 13.209 ( 3.358 -0.050 0.633) 3.418 13.306 ( -1.188 2.667 -3.932) 4.898 13.638 ( 1.962 -5.732 -1.623) 6.273 13.655 ( -1.747 -5.184 -6.514) 8.506 13.749 ( -1.452 -12.550 3.680) 13.159 14.117 ( -5.760 -6.221 5.728) 10.232 14.371 ( -3.596 -9.756 -5.387) 11.711 14.463 ( -0.547 -6.260 6.241) 8.857 14.572 ( 7.577 -0.652 -11.955) 14.169 14.984 ( -1.032 -3.314 -2.290) 4.159 15.300 ( 4.398 -7.089 6.594) 10.633 15.905 ( -6.680 1.222 -0.445) 6.805 16.096 ( 1.668 -4.004 0.320) 4.349 16.336 ( -4.233 -8.648 7.112) 11.971 16.632 ( -11.336 6.622 -2.729) 13.409 16.938 ( 3.527 13.490 3.940) 14.490 17.678 ( 12.293 0.976 -10.843) 16.421 18.058 ( -4.109 -2.003 8.074) 9.278 18.351 ( -0.249 1.991 0.366) 2.040 19.739 ( -5.244 -0.824 6.051) 8.049 20.294 ( 5.477 8.049 -11.766) 15.272 21.372 ( -4.043 -7.297 -4.628) 9.540 21.937 ( 1.979 -14.512 8.303) 16.836 23.214 ( 4.171 5.795 -1.456) 7.287 23.750 ( 13.985 2.868 -1.364) 14.341 ======================= Grid point 217 (109/130) ======================= q-point: (-0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -13.539 16.469 7.529) 22.610 2.234 ( -1.227 18.953 -0.852) 19.011 2.599 ( -15.009 12.104 3.267) 19.556 3.000 ( 0.185 8.594 -6.293) 10.653 3.115 ( -15.408 5.239 1.593) 16.352 3.579 ( -1.577 1.664 1.820) 2.928 3.773 ( -10.151 7.081 7.084) 14.261 4.102 ( 0.131 8.760 -8.119) 11.945 4.475 ( -0.659 -6.479 -5.626) 8.607 4.792 ( -5.562 -8.593 7.021) 12.412 5.068 ( 2.036 5.870 1.103) 6.310 5.231 ( 3.319 3.746 0.744) 5.059 5.443 ( -1.024 5.070 -2.533) 5.759 5.479 ( 2.920 -0.608 3.366) 4.498 5.537 ( 0.048 -1.629 -4.422) 4.713 5.785 ( -2.010 1.520 -2.160) 3.319 5.899 ( 2.958 6.845 -2.936) 8.014 5.995 ( -0.850 -8.462 1.869) 8.708 6.182 ( 0.423 1.498 -1.325) 2.045 6.311 ( -3.159 3.138 3.403) 5.605 6.369 ( -4.722 5.884 2.472) 7.939 6.542 ( 3.916 3.589 -1.411) 5.496 6.759 ( -0.043 3.580 -4.919) 6.084 6.948 ( -5.124 2.085 4.883) 7.379 7.070 ( -1.432 1.620 7.019) 7.344 7.196 ( -0.841 8.586 -4.062) 9.535 7.226 ( -5.475 8.604 -1.980) 10.388 7.485 ( 2.480 2.150 -6.662) 7.427 7.764 ( 7.941 12.191 -4.404) 15.201 7.863 ( 4.244 7.964 4.412) 10.045 8.043 ( 1.700 -0.042 1.165) 2.062 8.197 ( 1.144 7.724 -2.947) 8.346 8.298 ( 3.824 7.373 5.834) 10.150 8.483 ( -2.786 3.212 0.839) 4.334 8.569 ( -2.808 1.473 1.088) 3.352 8.668 ( -2.084 5.041 -7.634) 9.383 8.852 ( 5.180 4.186 -6.120) 9.045 8.942 ( 5.969 -1.473 1.189) 6.262 9.038 ( 1.709 2.989 0.516) 3.481 9.068 ( 1.535 1.686 5.081) 5.569 9.080 ( 1.460 4.888 -2.890) 5.863 9.417 ( 0.869 -1.432 -2.007) 2.615 9.530 ( 5.948 3.676 5.355) 8.807 9.649 ( -4.767 -0.680 -8.409) 9.690 9.790 ( 3.388 0.762 3.250) 4.756 9.969 ( 2.218 2.208 0.629) 3.192 10.041 ( 3.357 0.420 5.238) 6.236 10.268 ( 3.084 4.052 -8.457) 9.872 10.418 ( 4.982 -3.342 2.982) 6.699 10.511 ( 4.998 1.269 1.918) 5.502 10.658 ( 3.609 -2.183 2.773) 5.048 10.835 ( 2.823 -2.447 2.376) 4.428 11.097 ( 8.653 -1.667 -0.316) 8.818 11.211 ( 0.688 -7.619 4.050) 8.656 11.377 ( 6.876 -4.519 -6.829) 10.693 11.435 ( 8.227 -0.832 1.465) 8.397 11.522 ( 2.943 1.708 3.448) 4.844 11.865 ( 9.359 2.473 -0.962) 9.728 12.006 ( -2.566 -2.556 0.828) 3.716 12.133 ( -2.627 -4.370 3.171) 6.004 12.261 ( -6.161 2.429 -2.020) 6.924 12.599 ( -0.045 -1.381 4.947) 5.136 12.704 ( -2.266 -3.662 2.058) 4.773 12.818 ( -1.395 -10.708 -5.160) 11.968 13.067 ( -1.972 5.549 2.746) 6.497 13.275 ( 6.669 2.725 4.579) 8.537 13.398 ( 9.223 -3.481 -7.265) 12.246 13.581 ( -3.740 -11.731 -0.295) 12.317 13.613 ( -3.261 -2.970 0.818) 4.486 13.763 ( 2.129 -6.703 -1.541) 7.199 14.018 ( -6.795 -7.441 4.375) 10.985 14.277 ( -4.311 -8.617 -4.863) 10.793 14.448 ( -3.791 -1.962 7.998) 9.066 14.642 ( 5.061 -1.404 -14.681) 15.592 14.968 ( 0.332 -3.679 -1.595) 4.024 15.405 ( 2.548 -5.747 6.407) 8.976 15.784 ( -4.635 0.433 2.569) 5.318 16.091 ( -1.625 -8.283 -3.295) 9.061 16.345 ( 1.206 -4.894 4.842) 6.989 16.433 ( -7.390 3.268 -3.726) 8.898 17.036 ( 5.473 10.691 5.429) 13.180 17.805 ( 4.887 1.104 -9.925) 11.118 18.043 ( -0.861 -2.523 7.454) 7.917 18.335 ( -1.791 2.207 1.171) 3.074 19.683 ( -1.875 2.757 4.287) 5.431 20.307 ( -0.282 12.666 -9.581) 15.884 21.346 ( 3.674 -11.374 -4.820) 12.888 21.948 ( -4.578 -18.174 9.304) 20.924 23.332 ( 8.858 8.407 -2.133) 12.397 23.968 ( 9.210 1.979 -5.077) 10.701 ======================= Grid point 218 (110/130) ======================= q-point: (-0.10 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -10.671 14.892 13.507) 22.761 2.226 ( -0.969 18.436 -4.630) 19.033 2.359 ( -10.286 13.793 9.592) 19.699 2.898 ( -6.028 7.975 -1.260) 10.076 2.974 ( 1.524 10.885 -13.523) 17.427 3.389 ( -15.850 7.952 -3.023) 17.989 3.709 ( -0.823 7.204 14.488) 16.201 4.051 ( -1.972 6.509 -8.747) 11.080 4.543 ( 6.726 -6.662 -1.307) 9.557 4.739 ( -2.600 -5.113 5.116) 7.687 5.133 ( 4.125 5.288 2.919) 7.315 5.324 ( 5.096 2.870 4.588) 7.433 5.372 ( -2.817 0.124 0.747) 2.917 5.482 ( -3.592 3.882 1.059) 5.394 5.564 ( 3.044 3.637 -10.181) 11.232 5.730 ( -3.618 1.301 -4.858) 6.196 5.934 ( 2.845 -0.234 -1.896) 3.427 6.024 ( 1.955 -4.243 -2.596) 5.345 6.134 ( -5.004 -1.271 3.209) 6.079 6.278 ( -1.802 5.249 -2.546) 6.106 6.356 ( 3.503 5.091 6.013) 8.623 6.574 ( -0.579 2.232 0.322) 2.328 6.779 ( 3.938 6.257 -0.286) 7.399 6.873 ( -4.325 4.417 6.803) 9.192 7.025 ( -7.827 3.374 0.879) 8.569 7.149 ( 2.272 1.511 3.877) 4.741 7.219 ( 2.017 10.495 -7.313) 12.949 7.481 ( -0.569 1.634 -8.250) 8.429 7.850 ( 2.555 10.168 -0.642) 10.504 7.939 ( 3.412 11.167 0.009) 11.677 8.118 ( 4.856 0.448 0.600) 4.913 8.175 ( -1.804 7.133 -0.581) 7.380 8.315 ( -10.574 0.574 -1.994) 10.776 8.347 ( -0.525 5.375 -1.027) 5.497 8.583 ( 1.689 -2.694 8.472) 9.049 8.672 ( 3.179 4.038 -2.961) 5.931 8.833 ( -2.613 2.277 -5.886) 6.830 9.003 ( -0.678 -0.011 -0.179) 0.701 9.106 ( 4.851 2.151 -0.799) 5.366 9.119 ( 2.291 1.977 3.229) 4.425 9.185 ( 9.176 0.189 -1.070) 9.240 9.399 ( -2.044 -2.621 -1.045) 3.484 9.501 ( -4.106 1.742 -1.879) 4.840 9.658 ( -0.089 3.965 -2.451) 4.662 9.837 ( 0.334 3.996 10.740) 11.464 10.025 ( 3.444 1.938 3.912) 5.560 10.142 ( 5.919 -0.317 -6.021) 8.449 10.262 ( 0.443 0.546 -9.385) 9.411 10.476 ( 1.582 -3.694 2.479) 4.722 10.631 ( 6.111 -3.147 0.856) 6.927 10.724 ( -1.661 -3.099 3.219) 4.767 10.861 ( 2.773 1.346 0.243) 3.092 11.223 ( 2.468 -2.617 3.411) 4.957 11.303 ( 8.997 -5.326 -2.492) 10.748 11.416 ( 3.689 -3.975 -5.097) 7.443 11.566 ( -0.744 -5.349 5.869) 7.976 11.686 ( 10.835 4.204 6.589) 13.360 11.938 ( 4.433 0.829 2.230) 5.031 12.060 ( 3.617 -1.800 -1.667) 4.370 12.115 ( -3.164 2.460 3.050) 5.036 12.124 ( -3.698 1.960 -1.381) 4.407 12.506 ( -9.327 -4.057 0.804) 10.203 12.728 ( 2.926 -5.864 1.479) 6.719 12.816 ( 0.209 -3.400 -1.738) 3.824 13.034 ( -0.367 4.849 4.250) 6.458 13.350 ( -3.675 -0.103 1.314) 3.904 13.470 ( -1.278 -5.886 3.204) 6.822 13.573 ( 3.806 -4.999 -5.777) 8.536 13.629 ( 7.853 -6.592 -1.593) 10.376 13.794 ( -1.473 -7.751 5.342) 9.528 13.920 ( -2.174 -6.052 -0.932) 6.497 14.163 ( -6.284 -6.748 -4.007) 10.054 14.387 ( -6.409 -0.961 11.001) 12.768 14.658 ( 5.197 1.503 -22.333) 22.979 15.015 ( 5.187 -4.448 2.775) 7.374 15.373 ( -6.687 -3.072 0.386) 7.369 15.801 ( 2.752 -3.450 6.583) 7.925 16.034 ( -2.124 -7.949 -5.562) 9.932 16.307 ( -1.209 0.439 -2.356) 2.685 16.406 ( -0.011 -2.180 1.552) 2.676 17.200 ( 10.014 4.300 4.993) 11.988 17.766 ( -5.898 0.782 -8.484) 10.362 18.075 ( 1.664 -2.555 7.751) 8.329 18.294 ( -2.920 1.636 0.551) 3.392 19.730 ( 5.172 10.169 4.147) 12.139 20.209 ( -5.742 16.154 -9.569) 19.634 21.475 ( 11.088 -15.907 -3.269) 19.664 21.834 ( -10.849 -20.297 7.829) 24.310 23.501 ( 6.510 9.565 7.318) 13.690 24.021 ( 1.158 1.977 -15.539) 15.707 ======================= Grid point 219 (111/130) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.898 12.905 7.267) 14.838 2.298 ( -2.303 5.022 -8.901) 10.476 2.588 ( -2.031 11.111 15.944) 19.540 2.935 ( -2.285 -0.832 -14.953) 15.149 3.246 ( -14.422 8.962 1.668) 17.061 3.304 ( 14.097 2.629 -3.100) 14.671 3.872 ( -7.517 -5.077 2.792) 9.491 3.946 ( 6.586 4.905 -4.700) 9.462 4.648 ( -3.881 3.757 3.656) 6.522 4.726 ( 6.359 0.146 -3.500) 7.260 5.261 ( 2.647 0.991 8.010) 8.494 5.427 ( -2.807 2.087 -7.319) 8.112 5.448 ( 3.216 5.408 12.361) 13.870 5.512 ( 0.329 3.016 2.692) 4.056 5.651 ( -6.300 4.608 0.523) 7.822 5.786 ( 3.132 9.994 -7.754) 13.031 5.950 ( -4.306 0.031 -3.912) 5.817 5.962 ( 3.549 -0.495 -4.039) 5.400 6.090 ( 0.526 -2.170 10.390) 10.627 6.303 ( -1.479 1.977 -8.372) 8.728 6.507 ( -4.743 4.957 7.594) 10.234 6.640 ( 7.470 4.672 -5.616) 10.449 6.805 ( -8.295 -4.429 4.135) 10.272 6.876 ( 6.545 -2.780 -3.013) 7.723 7.150 ( 2.347 7.688 6.907) 10.598 7.230 ( 1.379 0.890 1.699) 2.362 7.367 ( 3.350 2.795 -3.983) 5.908 7.419 ( -5.272 1.222 -5.771) 7.912 8.029 ( -2.439 3.381 4.580) 6.193 8.110 ( 1.838 6.650 -1.695) 7.105 8.176 ( -1.588 3.750 4.820) 6.310 8.259 ( 0.083 3.242 -2.371) 4.018 8.327 ( -2.520 1.138 0.065) 2.766 8.406 ( 3.509 4.079 -6.981) 8.813 8.521 ( 0.385 -4.407 10.967) 11.826 8.738 ( 2.374 -0.145 -3.853) 4.527 8.873 ( 0.940 -0.050 -5.196) 5.281 8.947 ( -1.093 2.693 -6.449) 7.074 9.129 ( -1.034 0.214 8.391) 8.457 9.264 ( -4.162 -1.423 3.186) 5.431 9.301 ( 1.200 5.040 -3.550) 6.280 9.379 ( 3.541 5.569 -6.218) 9.068 9.550 ( 1.851 0.989 7.549) 7.835 9.664 ( -3.848 6.251 -3.486) 8.127 9.974 ( -0.868 2.542 3.146) 4.137 10.043 ( -0.818 -3.323 -2.151) 4.042 10.215 ( -2.622 1.387 -1.939) 3.544 10.250 ( 4.851 1.395 -3.542) 6.167 10.423 ( 5.539 -4.488 3.743) 8.051 10.522 ( -6.693 -3.860 -5.156) 9.289 10.754 ( 5.595 -0.564 5.585) 7.926 10.834 ( -3.438 -1.563 -2.526) 4.544 11.117 ( -2.841 -8.170 6.563) 10.858 11.276 ( 0.527 -5.012 -8.431) 9.822 11.459 ( -3.034 -1.317 2.785) 4.324 11.502 ( 5.935 -0.614 -1.931) 6.271 11.927 ( 4.002 2.210 7.020) 8.377 11.972 ( 1.949 -2.631 4.697) 5.726 12.140 ( -2.891 1.733 -2.113) 3.978 12.170 ( 0.712 4.231 -2.762) 5.102 12.219 ( 2.237 6.017 6.141) 8.884 12.283 ( -5.625 4.793 -0.964) 7.453 12.625 ( 1.379 -9.927 3.580) 10.642 12.748 ( -1.874 -6.153 -6.672) 9.268 13.125 ( -1.083 1.200 5.118) 5.367 13.224 ( 0.296 0.476 -3.163) 3.212 13.396 ( -2.250 0.320 4.825) 5.333 13.499 ( 0.080 -6.261 -5.867) 8.581 13.534 ( -6.938 -4.752 5.698) 10.158 13.651 ( 8.341 -6.906 -4.261) 11.637 13.869 ( 1.118 -3.049 2.434) 4.059 13.919 ( -4.567 -4.723 -2.600) 7.065 14.321 ( -2.140 -0.522 12.911) 13.097 14.719 ( 6.010 0.746 -26.013) 26.709 15.167 ( 0.981 3.318 4.494) 5.672 15.247 ( 1.657 2.420 -3.222) 4.357 15.649 ( -2.079 -10.024 10.470) 14.644 15.873 ( 2.035 -5.931 -10.103) 11.891 16.335 ( -0.448 -0.781 0.172) 0.917 16.353 ( 1.977 -0.578 -1.494) 2.545 17.411 ( 9.027 -0.726 4.368) 10.055 17.502 ( -14.794 -1.908 -4.144) 15.481 18.170 ( 7.540 0.102 5.706) 9.456 18.241 ( -4.287 0.244 -1.448) 4.531 20.178 ( 3.321 15.134 10.002) 18.442 20.394 ( -3.247 13.512 -10.503) 17.419 21.189 ( -9.725 -15.447 11.616) 21.636 21.425 ( 12.744 -14.916 -11.187) 22.584 23.589 ( -18.347 2.190 24.815) 30.938 24.096 ( 13.177 1.937 -24.098) 27.534 ======================= Grid point 220 (112/130) ======================= q-point: ( 0.10 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 5.681 8.173 3.860) 10.675 2.327 ( 10.167 9.658 -2.358) 14.220 2.723 ( 8.480 12.397 17.219) 22.849 2.926 ( -0.158 -1.747 1.282) 2.173 3.000 ( -2.185 12.310 -9.403) 15.644 3.572 ( 13.191 -0.867 -0.924) 13.252 3.683 ( -11.443 -10.653 4.648) 16.311 4.053 ( 4.848 5.424 -5.300) 9.001 4.570 ( -3.315 3.519 -2.307) 5.357 4.792 ( -1.021 -1.189 0.153) 1.574 5.325 ( -0.141 2.620 5.618) 6.200 5.358 ( 2.892 0.350 -6.191) 6.843 5.501 ( -3.301 1.838 -2.971) 4.806 5.542 ( -3.202 10.566 10.534) 15.259 5.571 ( 2.423 2.429 4.482) 5.644 5.733 ( -6.144 4.554 -8.530) 11.456 5.851 ( -1.728 -0.514 -1.819) 2.561 5.990 ( -0.130 6.635 0.328) 6.644 6.161 ( 0.853 1.918 6.561) 6.889 6.328 ( 7.760 -2.122 -6.076) 10.082 6.489 ( 1.293 3.003 1.366) 3.544 6.632 ( -7.530 -1.506 5.501) 9.446 6.768 ( 3.191 2.814 -6.255) 7.565 7.005 ( 6.794 0.092 0.141) 6.796 7.193 ( -0.299 2.320 1.752) 2.923 7.227 ( 0.018 1.238 -1.940) 2.301 7.326 ( -0.602 3.927 -6.298) 7.447 7.466 ( 6.127 4.539 1.302) 7.735 7.962 ( -6.056 5.856 5.300) 9.953 8.101 ( -1.247 3.753 -1.680) 4.297 8.159 ( -3.134 3.296 1.023) 4.661 8.294 ( 0.195 2.171 1.626) 2.719 8.319 ( 5.416 3.313 -1.322) 6.485 8.460 ( 4.688 1.216 0.628) 4.884 8.602 ( 2.751 1.044 5.302) 6.063 8.753 ( 1.675 -1.133 -13.579) 13.728 8.878 ( 2.191 0.494 3.240) 3.942 8.941 ( 1.026 6.183 -4.360) 7.635 9.112 ( -3.668 2.437 7.711) 8.880 9.172 ( -5.071 -0.625 -0.359) 5.122 9.299 ( -0.807 3.953 -1.970) 4.489 9.366 ( -2.516 0.857 -4.038) 4.834 9.578 ( -1.408 7.282 0.684) 7.448 9.646 ( 1.886 0.084 3.157) 3.678 9.958 ( -1.947 2.893 4.571) 5.749 10.039 ( -0.173 -1.800 0.191) 1.818 10.141 ( -1.544 0.355 -2.914) 3.317 10.214 ( -7.264 1.296 -4.748) 8.775 10.447 ( 0.867 -6.090 -3.479) 7.067 10.531 ( 0.998 -1.244 4.605) 4.873 10.769 ( -0.397 -1.279 -3.666) 3.903 10.851 ( 1.437 -0.162 1.928) 2.410 11.046 ( -6.538 -7.272 7.912) 12.579 11.227 ( -2.355 -6.163 -4.525) 8.001 11.314 ( -10.484 -0.536 -0.732) 10.524 11.543 ( -1.820 -2.862 -2.458) 4.189 11.906 ( -11.749 -1.932 -6.682) 13.654 12.010 ( 1.747 1.097 3.436) 4.007 12.066 ( -0.310 3.918 3.511) 5.270 12.097 ( -3.664 8.387 -1.274) 9.241 12.218 ( -1.507 4.788 1.883) 5.361 12.383 ( 7.944 -1.678 2.964) 8.643 12.571 ( -6.406 -10.431 2.406) 12.475 12.738 ( 2.484 -7.627 -2.308) 8.347 13.118 ( -0.870 3.474 4.729) 5.932 13.279 ( 0.155 0.616 3.825) 3.877 13.358 ( 0.048 -4.852 2.096) 5.286 13.459 ( -3.397 -1.576 2.357) 4.425 13.462 ( -1.494 -3.928 -3.178) 5.269 13.716 ( -4.325 -4.515 0.892) 6.315 13.828 ( 3.939 -6.212 -4.581) 8.665 13.952 ( 3.259 -5.889 2.709) 7.255 14.357 ( 0.862 0.594 9.565) 9.622 14.724 ( 4.339 -2.064 -23.130) 23.624 15.047 ( -7.122 2.958 0.534) 7.730 15.401 ( 8.340 0.479 -3.451) 9.038 15.682 ( 0.725 -7.163 10.486) 12.719 15.907 ( 6.069 -6.019 -12.075) 14.794 16.283 ( -1.481 0.635 1.276) 2.055 16.403 ( 1.034 -1.883 -3.618) 4.208 17.251 ( -8.231 -1.242 1.174) 8.407 17.583 ( 3.182 -0.387 9.319) 9.855 18.166 ( -2.199 -0.595 -4.086) 4.678 18.321 ( 6.383 1.574 1.640) 6.776 20.062 ( -9.197 11.086 -2.906) 14.694 20.416 ( 0.748 9.796 2.264) 10.082 21.083 ( -3.854 -7.364 6.610) 10.620 21.667 ( 15.108 -13.957 -11.155) 23.398 23.298 ( -20.950 1.049 25.668) 33.149 24.202 ( 5.294 2.549 -17.270) 18.242 ======================= Grid point 221 (113/130) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 1.937 4.838 4.901) 7.154 2.531 ( 6.049 19.307 1.828) 20.315 2.844 ( 3.477 6.189 6.447) 9.590 3.055 ( 17.719 13.369 9.612) 24.188 3.210 ( 17.058 3.289 -3.294) 17.682 3.511 ( -8.239 -16.421 6.737) 19.569 3.769 ( 6.687 0.191 -2.563) 7.164 4.081 ( 2.050 -0.907 -7.757) 8.074 4.516 ( -1.438 5.498 -2.792) 6.331 4.740 ( -1.785 -4.854 1.488) 5.382 5.309 ( -3.807 3.170 -1.856) 5.290 5.343 ( -3.309 1.106 0.506) 3.525 5.492 ( -1.209 5.115 1.423) 5.445 5.544 ( 3.599 10.435 0.237) 11.041 5.593 ( 0.445 -4.918 -12.622) 13.554 5.636 ( -0.361 -0.455 11.427) 11.441 5.832 ( 0.496 -1.558 -1.804) 2.435 5.980 ( -1.190 7.379 2.513) 7.885 6.197 ( 1.071 3.294 4.803) 5.921 6.440 ( -6.932 -0.388 -0.670) 6.976 6.464 ( 6.582 1.198 -2.810) 7.257 6.634 ( 6.181 2.514 1.904) 6.939 6.764 ( -0.970 3.628 -5.860) 6.960 7.048 ( -1.708 3.541 1.969) 4.397 7.136 ( -2.110 -1.846 -2.475) 3.740 7.338 ( 4.817 4.847 -1.881) 7.087 7.349 ( 9.213 1.329 -4.673) 10.416 7.557 ( 2.881 6.739 0.450) 7.343 7.840 ( -9.053 4.634 3.951) 10.910 8.046 ( -3.558 5.750 -1.482) 6.923 8.121 ( -2.369 3.106 1.540) 4.199 8.276 ( -1.436 4.007 0.721) 4.317 8.446 ( 6.451 3.759 3.245) 8.140 8.566 ( 1.990 6.154 0.319) 6.475 8.618 ( 2.536 -1.167 -2.799) 3.953 8.767 ( 3.925 1.162 -5.089) 6.531 8.892 ( -5.283 6.283 0.594) 8.230 8.938 ( 0.406 3.858 1.875) 4.309 9.078 ( -3.818 2.275 3.678) 5.769 9.105 ( 1.271 1.412 -2.666) 3.274 9.256 ( -2.606 6.748 -1.834) 7.463 9.303 ( -1.879 -4.286 -0.399) 4.697 9.563 ( 0.036 1.643 -1.084) 1.969 9.651 ( -3.000 4.254 2.379) 5.723 9.935 ( -3.625 4.230 5.211) 7.628 9.956 ( -7.551 3.760 -4.458) 9.541 10.085 ( -2.985 -1.894 1.980) 4.052 10.194 ( 5.684 -2.746 0.008) 6.312 10.415 ( -3.327 -4.607 -4.473) 7.232 10.485 ( -5.251 -0.595 1.593) 5.520 10.718 ( -9.984 -1.535 0.277) 10.105 10.835 ( 1.238 -3.127 -2.821) 4.390 10.975 ( -4.286 -1.445 4.374) 6.292 11.129 ( -7.000 -2.081 0.257) 7.307 11.195 ( 0.344 -5.847 -0.145) 5.859 11.411 ( -11.423 -5.428 -3.633) 13.158 11.675 ( -8.381 1.157 -2.798) 8.911 11.922 ( -6.880 5.406 1.196) 8.831 12.015 ( -6.522 2.221 -1.159) 6.987 12.124 ( 5.137 -0.181 -1.584) 5.379 12.286 ( 5.048 3.901 5.034) 8.126 12.372 ( -7.166 -11.001 0.814) 13.155 12.604 ( 8.206 -4.344 1.228) 9.366 12.783 ( 2.375 -4.118 -2.243) 5.257 13.121 ( -2.216 3.343 7.002) 8.069 13.236 ( -3.208 0.386 8.416) 9.015 13.352 ( -4.384 -0.651 2.396) 5.038 13.417 ( -1.343 -3.871 -4.438) 6.040 13.481 ( 4.768 -5.624 -0.724) 7.409 13.592 ( -8.266 -4.267 2.932) 9.754 13.929 ( 7.201 -7.327 -4.786) 11.333 14.028 ( 3.723 -6.509 2.180) 7.810 14.405 ( 0.416 0.420 6.498) 6.525 14.697 ( 1.491 -3.978 -19.585) 20.040 14.952 ( -3.361 2.336 1.029) 4.221 15.493 ( 3.258 -2.775 -8.146) 9.202 15.699 ( -2.885 -4.850 8.784) 10.441 16.007 ( 9.692 -4.101 -12.299) 16.187 16.330 ( 0.847 -0.938 0.167) 1.275 16.390 ( 4.731 -1.230 1.226) 5.039 17.202 ( 0.810 2.910 1.980) 3.612 17.576 ( -7.983 0.306 12.672) 14.980 18.134 ( 0.764 -0.994 -5.065) 5.217 18.406 ( 2.230 2.386 -0.449) 3.297 19.947 ( -0.335 6.723 -8.583) 10.908 20.366 ( -7.243 4.108 7.195) 11.005 21.100 ( 2.993 -1.112 4.004) 5.121 21.850 ( 8.054 -10.401 -10.581) 16.882 23.054 ( -14.558 0.012 24.083) 28.141 24.145 ( -5.051 1.971 -12.410) 13.543 ======================= Grid point 222 (114/130) ======================= q-point: ( 0.30 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 0.051 6.840 7.791) 10.368 2.638 ( 6.780 14.303 4.047) 16.338 3.025 ( 10.026 5.107 4.181) 12.003 3.350 ( 0.335 -9.123 -0.088) 9.130 3.450 ( 3.076 9.197 15.375) 18.178 3.524 ( 17.437 5.064 -1.152) 18.194 3.765 ( -1.963 5.324 -12.889) 14.083 4.139 ( 6.157 -7.187 -4.662) 10.550 4.508 ( 1.345 1.888 3.204) 3.955 4.774 ( 3.979 -5.219 -0.935) 6.629 5.212 ( -2.222 0.720 -1.696) 2.887 5.334 ( 0.278 5.958 0.820) 6.020 5.444 ( -0.222 0.538 -2.986) 3.043 5.498 ( -2.456 3.831 -3.906) 5.997 5.657 ( 0.543 2.085 7.765) 8.059 5.735 ( 6.686 -2.878 0.031) 7.279 5.853 ( 1.579 -3.973 -0.608) 4.318 5.988 ( 2.494 4.647 0.075) 5.274 6.220 ( -1.510 2.669 4.206) 5.205 6.290 ( -8.392 -0.056 1.697) 8.562 6.547 ( 2.866 3.501 -2.411) 5.127 6.686 ( -2.597 6.714 -4.779) 8.641 6.779 ( 7.199 0.219 -4.190) 8.332 7.016 ( -2.505 3.231 3.980) 5.706 7.146 ( 3.924 -1.210 -2.051) 4.590 7.396 ( 3.662 2.862 -4.702) 6.612 7.492 ( 2.363 4.762 1.225) 5.456 7.605 ( 4.208 4.747 -2.742) 6.911 7.670 ( -9.127 3.218 1.479) 9.791 7.948 ( -6.563 7.805 -1.658) 10.331 8.058 ( -4.374 5.586 3.104) 7.744 8.259 ( -1.071 5.223 0.269) 5.338 8.485 ( -2.242 9.084 -0.082) 9.357 8.625 ( 6.010 4.660 1.812) 7.818 8.679 ( 0.858 1.954 -2.946) 3.638 8.789 ( -4.459 6.149 0.621) 7.621 8.808 ( -0.701 -1.030 2.014) 2.368 8.922 ( 2.167 6.984 -2.619) 7.767 9.026 ( -1.697 2.359 1.393) 3.223 9.145 ( 0.316 -0.904 -4.890) 4.983 9.231 ( 1.760 3.188 5.531) 6.622 9.293 ( 0.026 3.528 -0.982) 3.662 9.539 ( -3.768 1.738 -2.440) 4.814 9.604 ( -0.806 3.098 5.633) 6.479 9.781 ( -6.682 3.975 -1.861) 7.995 9.889 ( -3.595 4.954 1.222) 6.242 10.051 ( -3.381 -0.758 3.165) 4.693 10.288 ( 1.885 -3.893 5.506) 7.002 10.321 ( -2.597 -4.513 -7.499) 9.129 10.386 ( -5.501 -0.790 -0.876) 5.626 10.480 ( -13.360 -2.636 -0.796) 13.641 10.783 ( -4.869 -2.421 -7.169) 8.998 10.930 ( -1.627 -1.704 3.201) 3.974 11.055 ( -5.533 -2.640 -0.495) 6.151 11.175 ( -4.685 -5.263 4.757) 8.502 11.238 ( 0.523 -2.987 -1.055) 3.211 11.545 ( -5.841 3.543 -0.502) 6.850 11.774 ( -8.970 3.275 -2.030) 9.763 11.956 ( 0.851 -4.147 2.237) 4.788 12.172 ( -1.590 -4.973 2.739) 5.896 12.291 ( 0.648 -2.487 -1.132) 2.809 12.400 ( 4.931 0.270 4.670) 6.797 12.747 ( 0.985 -0.114 -0.842) 1.301 12.826 ( 8.965 -4.089 -3.608) 10.494 13.083 ( -3.333 0.867 3.284) 4.759 13.221 ( -2.924 0.568 -1.232) 3.223 13.283 ( -4.246 -1.182 5.848) 7.323 13.394 ( -0.396 -1.626 5.497) 5.746 13.458 ( -4.414 -5.629 0.291) 7.159 13.558 ( 3.018 -8.535 0.064) 9.053 14.039 ( 5.530 -6.444 -3.050) 9.023 14.102 ( 3.353 -6.581 1.207) 7.484 14.406 ( -2.440 -0.776 2.525) 3.596 14.624 ( -1.950 -3.377 -15.605) 16.084 14.927 ( 0.472 -0.021 0.212) 0.517 15.423 ( -5.057 -2.982 -14.165) 15.333 15.725 ( 1.302 -4.411 13.267) 14.042 16.117 ( 3.917 -3.469 -8.514) 9.993 16.350 ( 7.870 -3.240 -7.921) 11.627 16.579 ( 8.734 1.529 8.863) 12.537 17.223 ( -0.976 8.766 0.678) 8.847 17.443 ( -8.427 -0.748 10.951) 13.838 18.158 ( 3.760 -0.923 -5.004) 6.327 18.403 ( -2.321 2.475 0.331) 3.409 19.950 ( 2.293 6.154 -5.928) 8.847 20.240 ( -7.383 -0.782 3.906) 8.389 21.205 ( 6.151 -0.202 3.839) 7.253 21.882 ( -0.402 -7.214 -8.732) 11.334 22.949 ( -5.749 -1.013 20.377) 21.197 23.939 ( -11.322 1.593 -10.530) 15.543 ======================= Grid point 223 (115/130) ======================= q-point: ( 0.40 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 6.726 1.369 7.896) 10.463 2.802 ( 7.272 10.658 7.575) 14.962 3.115 ( -7.293 -7.156 -3.027) 10.657 3.252 ( -1.239 3.260 0.336) 3.503 3.539 ( -1.362 13.525 10.740) 17.324 3.686 ( 3.969 10.073 -17.721) 20.767 3.851 ( 12.798 2.814 4.848) 13.972 4.193 ( -0.328 -7.442 -2.012) 7.716 4.600 ( 5.682 1.509 3.977) 7.097 4.807 ( -0.420 -1.146 -2.169) 2.489 5.249 ( 4.763 0.729 0.210) 4.823 5.365 ( 3.564 8.491 -0.535) 9.224 5.419 ( -1.386 -5.039 -4.988) 7.224 5.545 ( 9.332 4.241 -0.415) 10.259 5.663 ( -2.713 4.741 2.661) 6.076 5.820 ( 1.163 -1.481 5.329) 5.652 5.889 ( 3.222 -7.950 1.755) 8.756 6.034 ( -4.138 -2.388 -0.039) 4.778 6.124 ( -1.844 -1.081 -1.352) 2.529 6.215 ( -2.158 3.473 1.082) 4.230 6.556 ( -0.850 5.426 -0.354) 5.504 6.627 ( -1.306 4.050 -4.224) 5.996 6.898 ( 6.429 2.560 -3.645) 7.821 6.977 ( -3.374 2.183 4.557) 6.076 7.233 ( 4.993 0.281 -2.556) 5.617 7.366 ( -5.795 1.043 -0.236) 5.893 7.511 ( 3.297 3.597 -6.190) 7.882 7.531 ( -5.757 2.004 2.698) 6.667 7.683 ( 3.089 3.423 -1.614) 4.886 7.805 ( -7.153 7.679 -0.697) 10.517 8.029 ( 0.585 9.932 3.433) 10.524 8.220 ( -3.177 5.988 -0.111) 6.779 8.450 ( -1.408 7.236 -0.135) 7.372 8.602 ( -4.868 -0.568 -5.309) 7.225 8.694 ( -0.681 6.532 3.122) 7.272 8.720 ( -1.602 5.908 -1.223) 6.242 8.860 ( 5.651 7.564 0.811) 9.476 8.986 ( 2.011 0.709 1.432) 2.568 9.046 ( 3.585 4.518 0.643) 5.803 9.101 ( -1.809 -0.458 -4.255) 4.646 9.260 ( -1.390 8.794 -0.345) 8.910 9.335 ( 3.777 7.616 5.747) 10.261 9.454 ( -3.208 2.834 -0.502) 4.310 9.629 ( -1.171 1.762 5.282) 5.690 9.727 ( 1.806 0.574 3.698) 4.155 9.841 ( -1.025 4.026 -0.563) 4.193 9.968 ( -5.675 0.146 0.282) 5.684 10.215 ( -7.304 -5.912 -1.029) 9.452 10.244 ( -7.957 -1.493 -5.389) 9.726 10.268 ( -5.557 -3.943 -5.489) 8.750 10.357 ( 1.976 -5.707 4.219) 7.368 10.666 ( -3.929 -5.507 -6.456) 9.351 10.918 ( -3.126 1.337 5.788) 6.713 10.936 ( -1.473 -2.036 -0.053) 2.514 11.197 ( 0.308 -1.680 6.180) 6.412 11.238 ( -0.439 1.151 -3.152) 3.385 11.460 ( -2.955 1.326 1.955) 3.783 11.624 ( -4.439 0.192 -4.803) 6.542 12.016 ( 3.049 -5.700 4.630) 7.951 12.131 ( -3.154 -5.604 4.927) 8.101 12.352 ( 5.350 3.032 -0.663) 6.185 12.507 ( 4.258 -1.480 5.439) 7.065 12.691 ( -3.860 3.477 -3.687) 6.370 12.972 ( -4.382 -6.696 -5.524) 9.724 13.020 ( 2.433 -1.520 -1.733) 3.352 13.126 ( -1.948 1.902 0.635) 2.795 13.280 ( 2.652 -3.928 3.804) 6.077 13.396 ( -1.385 -6.630 5.085) 8.469 13.484 ( 4.587 -1.853 1.160) 5.081 13.600 ( 0.755 -6.970 2.651) 7.496 14.101 ( 2.319 -6.846 -1.028) 7.301 14.163 ( 2.501 -4.861 1.530) 5.676 14.328 ( -5.360 -3.007 -3.292) 6.972 14.521 ( -2.916 -2.676 -12.165) 12.793 14.962 ( 3.083 -2.153 -1.124) 3.924 15.259 ( -6.381 -2.628 -10.731) 12.758 15.812 ( 2.151 -3.224 12.150) 12.753 16.107 ( -0.512 -4.363 -6.030) 7.461 16.534 ( 11.763 0.268 -6.434) 13.410 16.693 ( -0.800 -1.388 6.047) 6.255 17.190 ( -0.533 8.845 4.857) 10.105 17.387 ( -1.644 3.773 1.780) 4.484 18.226 ( 4.964 -0.560 -3.810) 6.283 18.332 ( -5.607 1.652 3.009) 6.575 19.947 ( -3.527 6.126 7.487) 10.297 20.157 ( 0.619 -3.031 -10.400) 10.850 21.349 ( 7.172 -1.851 4.809) 8.832 21.785 ( -6.254 -4.903 -6.387) 10.195 22.991 ( 2.283 -1.197 16.959) 17.154 23.675 ( -11.403 1.047 -11.153) 15.985 ======================= Grid point 224 (116/130) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 8.287 -2.060 10.731) 13.714 2.845 ( -6.297 -2.893 -9.608) 11.846 2.987 ( 1.146 5.593 11.885) 13.185 3.207 ( -2.886 10.639 -6.912) 13.011 3.493 ( -7.748 10.931 10.058) 16.753 3.749 ( 7.670 9.379 -13.325) 18.010 4.042 ( 1.566 -2.591 5.888) 6.621 4.138 ( -0.328 -0.892 -3.378) 3.509 4.645 ( -4.511 -1.930 7.865) 9.271 4.816 ( 4.515 3.725 -7.450) 9.474 5.295 ( -0.516 -0.097 1.585) 1.670 5.349 ( -3.305 0.057 -2.988) 4.456 5.507 ( 8.454 9.108 1.664) 12.538 5.562 ( -5.594 5.614 -3.001) 8.474 5.740 ( -7.216 0.274 4.401) 8.456 5.823 ( 9.612 -3.639 -0.004) 10.278 5.922 ( -0.347 -3.625 -1.047) 3.789 5.966 ( 4.206 -7.275 -0.944) 8.457 6.132 ( -1.480 -0.749 1.802) 2.449 6.185 ( -1.258 0.536 -1.402) 1.959 6.535 ( -1.268 5.836 2.096) 6.329 6.600 ( -0.157 4.430 -3.340) 5.550 6.886 ( -6.049 1.084 7.207) 9.471 7.014 ( 4.542 1.735 -4.625) 6.711 7.271 ( -0.706 1.173 -1.817) 2.275 7.299 ( 2.201 0.993 -3.019) 3.866 7.470 ( -2.316 0.349 1.729) 2.911 7.541 ( 2.110 1.905 -4.210) 5.080 7.695 ( -3.763 7.230 1.820) 8.351 7.733 ( 2.738 5.099 -1.727) 6.040 8.092 ( 3.034 11.608 3.776) 12.578 8.155 ( -2.061 7.510 -1.984) 8.036 8.432 ( -0.568 3.859 2.245) 4.501 8.505 ( -2.854 -1.437 -3.924) 5.060 8.686 ( 0.584 5.102 0.817) 5.200 8.731 ( 2.971 5.837 -4.021) 7.686 8.945 ( 0.356 5.732 4.920) 7.562 9.010 ( -1.772 7.852 -0.680) 8.078 9.047 ( 0.591 5.844 -0.723) 5.918 9.075 ( -0.545 3.462 -2.312) 4.199 9.309 ( 4.130 7.172 0.527) 8.293 9.319 ( -3.448 8.440 -0.780) 9.151 9.491 ( 3.225 1.879 7.600) 8.467 9.610 ( 0.354 2.920 -2.406) 3.800 9.833 ( 2.173 0.857 3.867) 4.518 9.848 ( 2.278 0.577 -0.538) 2.411 9.893 ( 1.446 1.160 4.040) 4.445 10.049 ( -7.009 -2.090 -5.796) 9.332 10.137 ( -2.550 -4.516 -1.790) 5.487 10.169 ( -2.137 -8.519 -3.719) 9.538 10.424 ( 2.541 -7.352 7.627) 10.893 10.582 ( -2.666 -6.779 -7.372) 10.363 10.899 ( -0.346 2.106 6.144) 6.504 10.972 ( 3.292 0.125 -0.425) 3.322 11.170 ( -3.265 4.541 2.890) 6.295 11.236 ( 1.839 2.031 -3.519) 4.460 11.453 ( 0.335 -2.032 4.696) 5.128 11.575 ( 0.580 -2.812 -6.215) 6.846 12.065 ( -1.856 -4.153 6.683) 8.084 12.114 ( 1.303 -4.327 1.283) 4.698 12.479 ( 6.605 5.762 3.292) 9.363 12.576 ( -4.571 3.632 -5.536) 8.046 12.601 ( 1.470 -1.363 8.272) 8.511 12.783 ( -6.867 -5.731 -8.230) 12.154 13.068 ( 0.870 -2.621 3.444) 4.415 13.110 ( -2.178 -1.929 0.298) 2.925 13.343 ( 0.109 -6.285 2.206) 6.662 13.426 ( 4.624 -9.374 -4.045) 11.208 13.583 ( 2.167 1.000 2.642) 3.560 13.597 ( 0.419 -4.716 1.299) 4.910 14.144 ( 1.526 -6.275 0.647) 6.490 14.181 ( -1.728 -1.725 1.990) 3.150 14.245 ( 0.856 -7.621 -3.087) 8.267 14.434 ( -0.804 -2.882 -12.467) 12.821 15.021 ( 2.997 -3.109 0.019) 4.319 15.118 ( -4.742 -1.693 -6.965) 8.594 15.887 ( 0.975 -2.517 10.967) 11.295 16.068 ( -1.200 -4.599 -5.911) 7.585 16.530 ( -11.555 -0.265 11.050) 15.990 16.789 ( 12.266 -0.330 -12.885) 17.793 17.225 ( -2.246 8.728 9.395) 13.018 17.384 ( 4.126 5.556 -6.502) 9.495 18.225 ( -7.367 0.395 5.915) 9.455 18.303 ( 4.170 -0.029 -2.086) 4.663 19.884 ( -6.697 2.231 12.665) 14.500 20.186 ( 7.550 0.562 -16.220) 17.900 21.494 ( 4.833 -4.499 7.271) 9.822 21.625 ( -7.316 -3.450 -5.451) 9.754 23.148 ( 6.721 0.340 15.972) 17.332 23.464 ( -4.660 -0.165 -14.159) 14.907 ======================= Grid point 225 (117/130) ======================= q-point: (-0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -6.312 4.897 -5.726) 9.829 2.927 ( -2.854 7.333 -3.838) 8.755 2.978 ( 3.632 7.722 14.457) 16.787 3.213 ( 2.778 -1.537 4.659) 5.638 3.371 ( -5.349 7.334 3.584) 9.759 3.764 ( -4.857 9.061 -5.321) 11.576 3.944 ( -5.612 4.506 -5.784) 9.233 4.187 ( 0.818 -4.508 -0.125) 4.584 4.579 ( -3.552 -2.374 4.602) 6.279 4.836 ( -1.419 -2.115 -4.849) 5.477 5.241 ( -6.406 -1.801 1.685) 6.864 5.274 ( -3.171 1.280 4.013) 5.272 5.449 ( -4.408 0.783 -4.025) 6.020 5.578 ( -4.288 7.157 -2.424) 8.689 5.644 ( 3.681 6.558 1.942) 7.767 5.883 ( -0.908 -3.339 0.388) 3.482 5.951 ( -1.429 -0.898 -5.276) 5.539 6.053 ( -1.627 -0.593 -0.749) 1.887 6.149 ( 7.422 -3.488 1.198) 8.287 6.189 ( 4.879 1.465 -0.286) 5.102 6.522 ( -1.535 3.149 2.995) 4.609 6.594 ( 0.104 5.469 -0.956) 5.553 6.801 ( -4.980 -1.490 3.684) 6.371 7.042 ( 0.047 1.981 0.227) 1.994 7.234 ( -2.229 -1.390 -3.320) 4.233 7.395 ( 0.737 -0.153 -1.978) 2.116 7.432 ( 4.816 6.998 -0.529) 8.511 7.587 ( 3.568 2.813 -1.783) 4.881 7.652 ( -2.004 6.321 1.063) 6.716 7.791 ( 3.796 5.388 0.339) 6.599 8.078 ( -1.014 8.337 -1.674) 8.564 8.221 ( 5.656 9.905 1.309) 11.480 8.435 ( -1.511 3.167 2.095) 4.086 8.487 ( 1.955 0.519 2.250) 3.025 8.727 ( 3.520 3.745 -1.691) 5.410 8.792 ( 4.801 5.481 -3.295) 7.997 8.879 ( -5.570 9.689 -0.609) 11.193 8.973 ( -2.008 2.616 5.450) 6.371 9.028 ( -4.047 2.293 -3.291) 5.698 9.092 ( 1.160 4.874 -2.221) 5.481 9.235 ( -0.256 9.500 0.164) 9.505 9.414 ( 3.731 4.982 0.958) 6.297 9.490 ( -3.291 1.284 -3.854) 5.228 9.669 ( 4.376 4.431 -0.331) 6.236 9.821 ( 0.683 1.127 -1.357) 1.892 9.887 ( -2.933 -2.672 -7.503) 8.487 9.966 ( 3.751 -1.002 2.344) 4.536 10.019 ( 5.067 -2.254 9.983) 11.420 10.168 ( 6.134 -3.771 4.209) 8.341 10.218 ( 8.582 -2.222 -0.176) 8.866 10.504 ( -0.006 -7.409 -1.045) 7.483 10.510 ( 1.028 -5.287 1.720) 5.653 10.935 ( 1.767 -1.690 0.524) 2.501 11.012 ( 1.638 4.443 -3.102) 5.661 11.158 ( 0.906 0.858 4.957) 5.112 11.277 ( 2.758 -0.060 -2.720) 3.874 11.504 ( 3.482 -1.240 2.610) 4.525 11.575 ( 2.476 -0.588 -4.322) 5.015 12.030 ( -2.997 -4.335 3.205) 6.169 12.149 ( 0.270 -2.168 2.868) 3.605 12.417 ( -5.436 0.248 -5.166) 7.503 12.589 ( -2.496 -0.074 2.013) 3.207 12.639 ( 2.429 -0.020 -3.342) 4.132 12.777 ( 6.852 -0.140 9.879) 12.024 12.993 ( -10.058 -5.585 1.331) 11.582 13.109 ( 3.106 -0.389 0.905) 3.258 13.364 ( 1.192 -4.606 1.143) 4.893 13.467 ( 1.296 -9.431 -5.672) 11.081 13.538 ( -1.091 -1.235 -2.458) 2.959 13.652 ( 0.291 -2.953 -0.401) 2.995 14.093 ( -3.369 -2.338 -0.378) 4.118 14.220 ( 0.790 -8.042 -1.310) 8.186 14.276 ( 0.885 -5.773 4.916) 7.634 14.447 ( 8.497 -1.107 -12.181) 14.893 15.010 ( -2.925 -0.080 -2.351) 3.753 15.094 ( 2.888 -4.319 1.092) 5.309 15.928 ( -1.029 -2.731 9.442) 9.883 16.017 ( -1.600 -4.785 -5.886) 7.752 16.338 ( -11.725 -2.199 8.374) 14.575 16.888 ( -0.267 1.195 -8.266) 8.357 17.185 ( -1.634 13.491 4.831) 14.423 17.499 ( 10.340 0.431 -9.029) 13.734 18.110 ( -7.508 -0.773 7.904) 10.929 18.360 ( 2.246 0.639 -0.073) 2.336 19.809 ( -5.998 0.693 10.814) 12.385 20.299 ( 10.289 3.401 -14.151) 17.823 21.433 ( -8.098 -1.715 -2.604) 8.678 21.620 ( 2.003 -8.656 8.200) 12.090 23.275 ( 2.409 5.023 0.165) 5.573 23.485 ( 11.279 -3.483 -2.624) 12.093 ======================= Grid point 226 (118/130) ======================= q-point: (-0.30 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -0.124 11.955 -6.801) 13.755 2.730 ( -10.366 17.800 -3.736) 20.934 3.050 ( -6.359 6.535 2.705) 9.511 3.226 ( -2.035 8.712 16.221) 18.525 3.407 ( -2.991 -6.646 3.517) 8.092 3.581 ( -4.889 3.558 0.366) 6.058 3.812 ( -4.469 3.604 -13.883) 15.023 4.139 ( -5.029 -5.456 -2.259) 7.757 4.542 ( -2.021 -1.935 0.285) 2.813 4.748 ( -4.704 -5.033 -0.449) 6.903 5.145 ( -2.969 1.164 4.054) 5.158 5.286 ( 2.207 -4.432 7.865) 9.294 5.367 ( -2.795 4.648 -2.481) 5.964 5.572 ( 1.310 5.027 -3.047) 6.023 5.633 ( -2.940 6.489 0.153) 7.126 5.832 ( -3.205 -2.186 -4.307) 5.797 5.909 ( -1.529 -2.336 -3.863) 4.767 6.017 ( 1.503 5.611 -1.520) 6.004 6.246 ( 1.652 2.437 2.440) 3.824 6.322 ( 6.229 -0.885 -1.772) 6.536 6.479 ( -4.365 2.040 2.325) 5.349 6.610 ( 2.147 6.329 2.965) 7.312 6.743 ( -1.529 -3.565 -0.668) 3.936 7.036 ( -1.042 2.832 1.448) 3.347 7.161 ( -3.942 -0.089 -2.278) 4.554 7.342 ( -2.069 1.966 -2.301) 3.666 7.494 ( -7.652 1.950 2.837) 8.391 7.583 ( 2.771 9.683 -1.644) 10.205 7.734 ( 9.801 3.517 -3.796) 11.084 7.888 ( 5.448 5.116 3.191) 8.127 8.089 ( 1.984 5.795 -1.120) 6.226 8.321 ( 4.459 7.689 -1.665) 9.043 8.397 ( -2.883 5.810 4.434) 7.857 8.549 ( 1.190 1.732 5.859) 6.224 8.726 ( -4.433 5.737 -3.757) 8.166 8.834 ( 3.856 1.223 -0.094) 4.047 8.884 ( -2.330 3.797 -1.719) 4.775 8.902 ( 0.265 5.589 -6.560) 8.622 8.966 ( -0.878 -1.846 7.211) 7.495 9.109 ( 3.036 4.807 -2.975) 6.416 9.273 ( 1.498 9.156 0.312) 9.283 9.396 ( -3.063 -1.254 -7.950) 8.611 9.480 ( 3.136 2.940 3.269) 5.400 9.734 ( -0.118 1.963 -5.055) 5.424 9.758 ( 1.034 0.209 -1.861) 2.139 9.915 ( 5.274 2.286 -0.718) 5.792 10.032 ( 0.963 0.731 8.020) 8.111 10.171 ( 7.160 -4.352 3.306) 9.007 10.335 ( 5.920 3.866 1.274) 7.184 10.434 ( 8.029 -1.433 -1.937) 8.382 10.477 ( 8.309 -6.855 -3.348) 11.280 10.607 ( 4.145 -2.938 9.276) 10.577 10.926 ( -1.035 -3.368 0.421) 3.548 11.087 ( 6.602 0.262 -1.809) 6.850 11.198 ( 1.414 -2.458 1.478) 3.198 11.293 ( 0.999 -4.842 -3.964) 6.337 11.550 ( 2.700 3.086 -1.731) 4.451 11.716 ( 11.075 3.137 3.242) 11.959 11.984 ( -2.420 -4.663 0.204) 5.258 12.129 ( -3.537 -0.295 3.927) 5.294 12.361 ( 1.145 -3.737 -4.442) 5.917 12.485 ( -5.623 -5.283 -2.901) 8.243 12.702 ( 1.555 2.256 3.059) 4.107 12.756 ( -9.872 -4.581 2.675) 11.207 13.018 ( 10.242 2.248 7.153) 12.693 13.197 ( 6.159 -0.164 -0.718) 6.203 13.349 ( -3.470 -0.491 3.257) 4.784 13.443 ( -1.029 -6.255 -5.349) 8.294 13.569 ( 4.502 -5.312 -3.508) 7.797 13.610 ( -3.179 -4.614 -2.733) 6.234 14.018 ( -4.586 -2.069 -1.944) 5.393 14.176 ( -2.930 -8.537 -4.203) 9.956 14.326 ( 0.633 -5.511 10.038) 11.469 14.583 ( 9.105 1.413 -13.618) 16.442 14.972 ( -0.036 0.772 -3.608) 3.690 15.172 ( 3.856 -4.903 8.122) 10.241 15.894 ( -5.791 -1.720 3.684) 7.075 15.973 ( -1.884 -6.300 -2.376) 6.992 16.202 ( -4.150 -3.899 6.337) 8.520 16.731 ( -11.181 3.114 -5.097) 12.677 17.201 ( 0.043 10.490 2.973) 10.903 17.683 ( 12.575 -0.588 -12.010) 17.398 18.020 ( -4.887 -1.456 8.484) 9.898 18.385 ( -0.006 1.195 1.759) 2.127 19.749 ( -4.017 1.328 9.260) 10.180 20.442 ( 9.632 5.877 -11.648) 16.217 21.283 ( -6.300 -1.126 -3.431) 7.261 21.650 ( -3.198 -12.782 12.305) 18.028 23.348 ( 8.813 6.731 -11.563) 16.021 23.729 ( 11.917 -3.855 4.868) 13.438 ======================= Grid point 227 (119/130) ======================= q-point: (-0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -10.998 13.827 -2.159) 17.799 2.632 ( -0.708 17.896 -6.367) 19.008 2.870 ( -9.764 12.151 2.913) 15.858 3.118 ( -18.209 2.024 2.211) 18.454 3.233 ( -2.828 7.457 0.095) 7.975 3.589 ( -3.876 -1.114 4.443) 6.000 3.789 ( 6.765 -5.847 -11.987) 14.954 4.009 ( -6.281 -8.624 0.868) 10.704 4.519 ( 1.064 3.972 -3.380) 5.323 4.707 ( -0.211 -0.140 3.605) 3.614 5.183 ( 3.586 2.069 8.944) 9.855 5.301 ( -4.589 1.263 3.317) 5.801 5.410 ( 6.299 -0.192 5.429) 8.318 5.468 ( -5.982 -0.451 0.910) 6.068 5.687 ( 6.718 11.058 -9.553) 16.083 5.779 ( -1.078 -2.564 -3.106) 4.169 5.852 ( -2.422 -2.979 -1.796) 4.239 6.068 ( 3.629 7.591 -5.097) 9.837 6.199 ( -7.170 -0.791 3.299) 7.932 6.380 ( 0.300 5.421 2.977) 6.192 6.448 ( 1.363 -0.412 0.325) 1.460 6.670 ( 1.151 8.032 1.986) 8.354 6.728 ( 1.138 -4.504 -5.085) 6.888 7.013 ( -2.539 3.469 3.963) 5.847 7.101 ( -0.872 0.711 1.190) 1.637 7.261 ( -8.859 1.323 1.487) 9.080 7.362 ( -1.977 2.601 -3.315) 4.655 7.597 ( -0.794 6.154 -2.572) 6.717 7.918 ( 9.357 3.909 -1.380) 10.234 7.996 ( 5.085 4.085 1.987) 6.819 8.109 ( 0.026 6.082 0.867) 6.144 8.336 ( -0.873 5.754 -2.642) 6.391 8.416 ( 1.099 3.201 7.836) 8.535 8.506 ( -7.013 -0.008 0.505) 7.031 8.621 ( -6.036 2.741 -2.116) 6.959 8.765 ( -2.929 3.033 -2.930) 5.135 8.897 ( 1.580 -0.520 -1.052) 1.968 8.965 ( 2.591 3.995 -0.074) 4.762 9.005 ( 2.670 -3.022 4.994) 6.419 9.189 ( 6.629 8.674 -4.839) 11.942 9.264 ( -0.618 9.080 -1.663) 9.252 9.345 ( -0.397 -3.552 -4.944) 6.101 9.522 ( -1.065 -3.507 1.882) 4.120 9.714 ( 3.424 5.637 -3.152) 7.310 9.858 ( 5.726 5.326 3.691) 8.647 10.024 ( 6.280 2.123 -2.324) 7.025 10.064 ( -0.488 1.966 6.265) 6.584 10.270 ( 1.265 -5.685 -5.280) 7.862 10.334 ( -0.254 -4.094 -0.518) 4.134 10.518 ( 4.454 0.980 -2.033) 4.993 10.672 ( 4.055 3.189 6.471) 8.275 10.764 ( 9.222 -3.555 1.555) 10.006 10.977 ( 5.664 -7.960 5.094) 11.018 11.154 ( 2.040 0.239 -2.184) 2.998 11.261 ( 4.730 -5.961 -5.404) 9.333 11.343 ( 6.734 -5.178 0.985) 8.551 11.621 ( 4.614 5.129 2.632) 7.384 11.926 ( 5.484 2.157 1.284) 6.031 11.968 ( 4.253 0.626 2.284) 4.867 12.078 ( -2.104 -0.314 2.756) 3.481 12.350 ( -3.957 4.211 -1.273) 5.917 12.436 ( 3.873 -12.888 -2.842) 13.754 12.562 ( -8.727 -4.470 1.664) 9.946 12.774 ( 2.320 1.323 0.586) 2.734 13.196 ( 2.698 6.307 2.570) 7.325 13.303 ( -0.450 -3.915 5.693) 6.924 13.325 ( 7.951 -1.880 -2.011) 8.414 13.395 ( -2.294 -2.619 -2.289) 4.167 13.543 ( -1.395 -4.241 -6.081) 7.544 13.636 ( 2.080 -6.482 2.160) 7.141 13.909 ( -5.239 -2.667 -4.172) 7.209 14.102 ( -3.082 -7.659 -4.070) 9.205 14.357 ( -2.262 -5.104 12.584) 13.767 14.665 ( 6.604 3.358 -17.965) 19.433 14.964 ( 0.599 1.863 -2.245) 2.978 15.295 ( 4.519 -5.062 8.763) 11.083 15.765 ( -8.474 -2.013 5.874) 10.506 15.922 ( -1.192 -6.459 -6.067) 8.941 16.239 ( 4.099 -4.495 5.057) 7.911 16.494 ( -10.760 2.278 -4.999) 12.081 17.203 ( -0.079 5.231 1.747) 5.516 17.821 ( 5.576 0.444 -9.100) 10.682 18.000 ( -1.166 -1.490 6.605) 6.871 18.373 ( -2.197 1.355 2.502) 3.594 19.763 ( 3.276 4.144 7.512) 9.184 20.544 ( 4.734 9.681 -8.893) 13.972 21.186 ( -2.040 -3.438 -3.528) 5.332 21.591 ( -8.367 -16.219 12.857) 22.324 23.511 ( 12.701 8.630 -11.541) 19.209 23.920 ( 6.104 -5.383 2.663) 8.563 ======================= Grid point 228 (120/130) ======================= q-point: (-0.10 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -9.736 13.766 3.342) 17.189 2.459 ( -10.201 7.801 -8.953) 15.655 2.696 ( -14.618 12.914 13.872) 23.935 3.024 ( 6.984 5.092 -4.007) 9.527 3.117 ( -2.337 4.318 -16.632) 17.342 3.502 ( -10.484 2.684 5.794) 12.275 3.811 ( 4.429 0.950 -7.208) 8.512 3.982 ( -1.169 -9.156 1.809) 9.406 4.574 ( 6.159 5.107 -3.195) 8.616 4.726 ( -1.617 3.480 5.936) 7.068 5.220 ( -2.851 0.602 5.335) 6.079 5.313 ( 5.227 3.215 11.524) 13.056 5.432 ( 1.548 3.027 -1.690) 3.797 5.528 ( 1.631 0.585 3.414) 3.829 5.730 ( 0.291 5.436 -7.681) 9.414 5.759 ( 0.538 3.748 -3.156) 4.929 5.855 ( 4.850 -2.032 -3.022) 6.065 6.047 ( -5.024 -1.737 0.958) 5.401 6.109 ( -2.188 2.750 0.487) 3.547 6.376 ( -2.119 4.107 -2.726) 5.365 6.487 ( 3.244 5.363 1.352) 6.412 6.634 ( -4.526 5.192 1.944) 7.157 6.773 ( 5.807 -4.449 -5.743) 9.301 6.946 ( -7.503 0.617 5.874) 9.549 7.120 ( -3.416 5.013 5.287) 8.047 7.160 ( 3.890 0.008 2.674) 4.721 7.351 ( 1.353 2.673 -5.992) 6.699 7.535 ( -4.430 2.537 -3.682) 6.294 8.016 ( 1.417 2.781 4.269) 5.288 8.075 ( 1.869 9.113 -2.651) 9.673 8.171 ( 6.309 1.525 2.144) 6.836 8.285 ( -3.984 2.939 -0.397) 4.967 8.347 ( -4.983 2.593 -2.866) 6.306 8.470 ( -2.790 3.550 2.866) 5.348 8.497 ( -3.322 -3.626 3.831) 6.234 8.732 ( -0.480 1.665 -1.718) 2.440 8.882 ( -0.422 1.340 -4.970) 5.165 8.989 ( -0.138 -0.100 -1.915) 1.922 9.086 ( 2.818 -2.409 4.518) 5.844 9.269 ( 0.708 8.309 2.129) 8.606 9.293 ( 5.949 8.961 -8.256) 13.559 9.325 ( 0.014 -2.554 -0.684) 2.644 9.509 ( -0.301 -1.431 4.304) 4.546 9.744 ( -0.988 5.306 -4.930) 7.310 9.950 ( 1.538 5.528 5.957) 8.271 10.069 ( -0.526 0.839 1.980) 2.214 10.137 ( 6.773 1.230 -4.311) 8.122 10.232 ( 1.600 -4.451 -8.000) 9.293 10.356 ( 0.112 -6.801 4.326) 8.061 10.602 ( 4.248 0.015 -0.670) 4.301 10.687 ( -3.380 -0.060 3.436) 4.820 10.867 ( 1.342 -0.507 -0.281) 1.462 11.092 ( 2.982 -8.482 4.436) 10.025 11.238 ( 7.117 -2.478 -5.856) 9.544 11.339 ( 6.973 -2.240 -2.961) 7.900 11.467 ( 2.907 -3.868 4.202) 6.408 11.761 ( 8.822 1.465 6.582) 11.104 11.947 ( -1.092 1.916 5.823) 6.227 12.092 ( 5.053 4.388 -2.006) 6.987 12.116 ( 3.783 2.059 3.521) 5.564 12.259 ( -4.046 3.715 -1.694) 5.748 12.421 ( -7.138 -0.649 -0.498) 7.185 12.536 ( 5.904 -10.806 1.012) 12.355 12.792 ( 0.083 -2.006 -3.849) 4.341 13.150 ( -3.942 5.422 2.453) 7.139 13.292 ( -5.005 -5.692 2.338) 7.932 13.392 ( 1.448 0.022 1.442) 2.043 13.476 ( 7.825 -3.805 -6.050) 10.598 13.526 ( 2.830 -3.454 -4.329) 6.219 13.635 ( -4.819 -7.054 7.001) 11.045 13.835 ( 0.157 -2.719 -3.246) 4.237 14.025 ( -3.891 -6.052 -3.968) 8.216 14.339 ( -4.729 -3.029 14.253) 15.320 14.703 ( 6.224 2.812 -24.460) 25.396 15.017 ( 5.896 3.634 2.763) 7.457 15.337 ( -3.252 -1.752 1.883) 4.146 15.671 ( -4.531 -7.470 9.897) 13.202 15.890 ( 0.465 -5.029 -8.209) 9.639 16.315 ( -0.296 -0.302 -0.286) 0.511 16.353 ( -0.078 -1.985 -0.289) 2.008 17.249 ( 5.269 0.855 1.207) 5.473 17.778 ( -8.168 0.340 -9.523) 12.550 18.030 ( 2.986 -1.621 9.651) 10.232 18.322 ( -3.966 1.011 1.325) 4.302 19.948 ( 12.547 9.861 6.331) 17.168 20.528 ( -3.439 14.368 -7.321) 16.488 21.198 ( 4.126 -10.129 -1.397) 11.026 21.443 ( -10.589 -17.801 7.361) 21.982 23.684 ( 3.631 8.252 6.758) 11.267 23.982 ( 4.893 -4.745 -13.257) 14.907 ======================= Grid point 229 (121/130) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 2.094 0.000 3.022) 3.677 2.341 ( -4.479 -0.000 -4.287) 6.200 2.736 ( 0.591 0.000 6.261) 6.289 2.888 ( -6.181 -0.000 -7.292) 9.559 3.308 ( 11.262 0.000 1.146) 11.321 3.342 ( -11.476 -0.000 -2.545) 11.755 3.808 ( -10.957 0.000 6.766) 12.877 3.989 ( 11.969 -0.000 -11.074) 16.306 4.696 ( -5.399 0.000 -0.494) 5.421 4.729 ( 6.034 0.000 -2.575) 6.560 5.273 ( 3.258 0.000 7.760) 8.416 5.443 ( -3.570 0.000 -8.650) 9.358 5.527 ( 0.055 -0.000 6.190) 6.190 5.535 ( 2.988 0.000 4.436) 5.348 5.767 ( -7.975 0.000 9.528) 12.424 5.879 ( 4.643 0.000 0.232) 4.649 5.889 ( 2.279 0.000 3.345) 4.048 6.019 ( 7.066 0.000 -12.494) 14.354 6.055 ( -1.889 0.000 7.828) 8.052 6.318 ( -5.636 -0.000 -11.027) 12.383 6.588 ( -8.253 0.000 10.676) 13.495 6.728 ( -9.667 0.000 1.251) 9.747 6.748 ( 11.971 0.000 -1.814) 12.107 6.787 ( 6.448 0.000 -8.753) 10.871 7.225 ( 0.914 0.000 4.432) 4.525 7.226 ( 1.214 -0.000 1.937) 2.286 7.390 ( 4.286 0.000 -2.064) 4.757 7.438 ( -4.855 0.000 -3.814) 6.174 8.059 ( -0.964 0.000 6.825) 6.893 8.170 ( -1.544 0.000 -1.004) 1.842 8.253 ( -0.548 0.000 3.337) 3.382 8.297 ( -1.302 0.000 0.254) 1.326 8.337 ( -2.192 -0.000 2.031) 2.989 8.431 ( 2.463 0.000 -7.574) 7.964 8.462 ( 3.512 -0.000 8.116) 8.843 8.725 ( 2.471 0.000 -11.804) 12.059 8.872 ( -1.140 0.000 1.289) 1.720 8.981 ( 1.648 0.000 -5.658) 5.893 9.130 ( 1.514 0.000 7.073) 7.233 9.233 ( -4.065 0.000 0.310) 4.077 9.394 ( -2.007 0.000 1.771) 2.676 9.461 ( 0.551 0.000 -7.013) 7.035 9.540 ( 3.480 0.000 10.104) 10.686 9.782 ( -2.980 -0.000 -12.317) 12.672 9.947 ( 0.008 0.000 2.478) 2.478 10.006 ( -1.477 0.000 -1.601) 2.178 10.243 ( -3.519 -0.000 1.135) 3.698 10.266 ( 5.516 0.000 -0.852) 5.581 10.375 ( 10.526 0.000 3.068) 10.964 10.478 ( -10.899 -0.000 -6.114) 12.497 10.750 ( 6.056 0.000 5.696) 8.313 10.815 ( -4.480 0.000 -1.857) 4.850 11.012 ( -3.116 -0.000 7.907) 8.499 11.215 ( 0.774 0.000 -10.995) 11.023 11.449 ( -3.516 0.000 2.926) 4.574 11.502 ( 6.792 -0.000 -2.499) 7.237 11.902 ( 4.016 0.000 7.634) 8.626 11.995 ( -1.146 -0.000 0.766) 1.379 12.170 ( -3.769 0.000 1.332) 3.997 12.178 ( 3.163 0.000 4.513) 5.511 12.340 ( 2.332 -0.000 12.761) 12.972 12.437 ( -2.512 -0.000 -2.684) 3.676 12.455 ( 1.965 0.000 -4.154) 4.595 12.603 ( -5.778 0.000 -10.162) 11.690 13.145 ( -1.174 0.000 3.945) 4.116 13.232 ( 1.735 0.000 -3.609) 4.005 13.407 ( -5.064 0.000 2.056) 5.466 13.425 ( -3.333 0.000 0.544) 3.377 13.517 ( 2.736 -0.000 -0.330) 2.756 13.544 ( 4.130 0.000 -3.051) 5.135 13.835 ( 2.197 0.000 1.817) 2.851 13.870 ( -5.406 0.000 -1.448) 5.597 14.313 ( -1.181 0.000 14.237) 14.286 14.727 ( 4.464 0.000 -26.019) 26.399 15.233 ( -6.589 -0.000 2.164) 6.935 15.275 ( 10.212 0.000 -1.375) 10.304 15.522 ( -2.481 0.000 13.619) 13.843 15.802 ( 1.472 0.000 -12.240) 12.328 16.325 ( -1.704 0.000 0.220) 1.718 16.346 ( 3.668 -0.000 -1.692) 4.039 17.402 ( 10.041 0.000 3.726) 10.710 17.481 ( -16.596 0.000 -3.721) 17.008 18.171 ( 8.478 0.000 5.750) 10.244 18.244 ( -4.768 0.000 -1.514) 5.003 20.387 ( 10.773 0.000 10.002) 14.700 20.534 ( -16.398 0.000 -3.038) 16.677 21.016 ( -2.791 0.000 6.690) 7.249 21.233 ( 12.311 0.000 -13.272) 18.103 23.610 ( -19.892 0.000 24.879) 31.853 24.113 ( 14.712 0.000 -23.453) 27.686 ======================= Grid point 231 (122/130) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 1.393 -0.000 0.733) 1.574 2.472 ( 15.835 0.000 2.862) 16.091 2.877 ( 10.024 -0.000 11.437) 15.208 2.878 ( 7.177 0.000 -2.583) 7.627 3.149 ( -6.813 -0.000 -2.732) 7.340 3.527 ( 2.790 0.000 0.295) 2.805 3.559 ( -8.275 0.000 8.944) 12.185 4.095 ( 3.823 -0.000 -11.417) 12.040 4.620 ( -1.761 -0.000 -2.118) 2.755 4.773 ( -2.736 -0.000 0.466) 2.776 5.350 ( 1.614 0.000 7.170) 7.350 5.358 ( 0.334 0.000 -8.534) 8.540 5.518 ( -2.218 0.000 -1.035) 2.448 5.597 ( 1.784 0.000 4.262) 4.621 5.676 ( -4.976 0.000 11.769) 12.778 5.717 ( -11.400 -0.000 -6.403) 13.075 5.942 ( -0.074 0.000 -1.064) 1.066 6.129 ( 5.351 -0.000 0.467) 5.371 6.160 ( -5.753 0.000 -8.486) 10.252 6.264 ( 14.848 0.000 3.501) 15.255 6.530 ( -1.541 -0.000 8.569) 8.707 6.568 ( -7.644 0.000 -1.610) 7.811 6.844 ( 2.784 -0.000 -6.863) 7.406 6.980 ( 12.018 0.000 -1.218) 12.080 7.199 ( -3.879 0.000 -1.125) 4.039 7.243 ( 0.870 0.000 1.277) 1.545 7.369 ( -0.202 0.000 -5.213) 5.217 7.515 ( 7.300 0.000 1.795) 7.518 8.025 ( -6.275 -0.000 7.412) 9.712 8.139 ( -0.770 0.000 -2.282) 2.408 8.199 ( -4.062 0.000 0.768) 4.134 8.287 ( 0.441 0.000 5.597) 5.614 8.427 ( 8.019 0.000 2.576) 8.423 8.434 ( 2.584 -0.000 -5.708) 6.265 8.602 ( 5.748 -0.000 4.705) 7.428 8.721 ( 1.901 0.000 -16.201) 16.312 8.894 ( 2.845 0.000 5.708) 6.378 9.004 ( 1.746 0.000 -6.521) 6.751 9.151 ( -2.743 -0.000 -1.743) 3.250 9.159 ( -1.818 0.000 8.188) 8.387 9.334 ( -4.992 0.000 2.000) 5.378 9.408 ( -3.562 0.000 -3.726) 5.155 9.649 ( 3.550 0.000 10.050) 10.659 9.674 ( -3.511 0.000 -11.318) 11.850 9.986 ( 0.346 -0.000 -0.647) 0.734 9.995 ( 2.489 0.000 4.301) 4.969 10.158 ( -4.252 0.000 -1.132) 4.400 10.244 ( -11.077 0.000 -5.598) 12.411 10.341 ( 2.556 -0.000 -2.107) 3.312 10.546 ( 3.665 0.000 3.843) 5.311 10.744 ( -0.010 -0.000 -1.176) 1.176 10.836 ( -3.535 0.000 1.283) 3.761 10.979 ( 0.608 -0.000 11.091) 11.108 11.137 ( -4.853 0.000 -8.212) 9.538 11.311 ( -10.394 0.000 -0.845) 10.429 11.520 ( -3.499 -0.000 -3.287) 4.801 11.881 ( -10.619 0.000 -6.809) 12.614 11.998 ( 3.386 0.000 8.026) 8.711 12.175 ( 4.552 0.000 6.020) 7.547 12.185 ( -5.281 -0.000 -0.743) 5.333 12.310 ( -5.479 -0.000 0.525) 5.504 12.356 ( -9.238 0.000 -5.837) 10.928 12.522 ( 0.892 0.000 -5.788) 5.856 12.523 ( 7.517 -0.000 11.411) 13.664 13.174 ( 0.829 0.000 5.575) 5.637 13.277 ( 4.522 -0.000 -3.672) 5.826 13.308 ( -6.340 0.000 5.885) 8.650 13.363 ( -2.453 -0.000 -0.005) 2.453 13.553 ( 0.282 -0.000 -1.700) 1.724 13.595 ( -0.468 0.000 -1.501) 1.573 13.775 ( -1.421 -0.000 -0.354) 1.464 13.890 ( 2.701 0.000 2.320) 3.561 14.363 ( 0.951 0.000 10.759) 10.801 14.703 ( 2.861 0.000 -23.227) 23.403 15.099 ( -7.142 0.000 0.755) 7.182 15.395 ( 3.861 -0.000 -0.769) 3.937 15.609 ( 4.020 0.000 9.956) 10.737 15.832 ( 7.283 0.000 -14.001) 15.782 16.290 ( -0.229 0.000 1.707) 1.722 16.380 ( -0.332 0.000 -4.835) 4.846 17.237 ( -7.075 0.000 1.978) 7.347 17.579 ( 3.899 0.000 9.625) 10.385 18.160 ( -2.520 0.000 -4.496) 5.154 18.338 ( 7.083 -0.000 1.352) 7.211 20.204 ( -13.809 -0.000 -6.193) 15.134 20.488 ( -3.757 0.000 12.849) 13.387 21.042 ( 2.403 0.000 3.092) 3.916 21.490 ( 18.577 0.000 -15.899) 24.452 23.308 ( -21.566 0.000 26.896) 34.474 24.224 ( 5.106 0.000 -17.971) 18.682 ======================= Grid point 233 (123/130) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 2.799 -0.000 8.476) 8.926 2.812 ( 17.183 -0.000 3.118) 17.463 2.990 ( -3.182 -0.000 3.996) 5.108 3.025 ( -0.148 0.000 0.107) 0.182 3.246 ( 18.465 -0.000 9.519) 20.774 3.375 ( 3.804 0.000 3.560) 5.210 3.754 ( 9.152 0.000 5.421) 10.637 4.056 ( -1.789 -0.000 -15.750) 15.851 4.623 ( 3.688 -0.000 -4.366) 5.716 4.645 ( -9.479 0.000 3.844) 10.229 5.316 ( -4.516 0.000 -4.509) 6.381 5.387 ( 0.231 -0.000 2.554) 2.564 5.503 ( -7.301 0.000 -8.694) 11.353 5.524 ( 4.270 -0.000 -1.736) 4.610 5.637 ( -0.219 0.000 9.058) 9.061 5.663 ( -0.892 -0.000 8.859) 8.904 5.879 ( -2.063 -0.000 -9.594) 9.814 6.068 ( -3.089 0.000 1.518) 3.441 6.223 ( 3.014 0.000 4.220) 5.186 6.409 ( -6.947 -0.000 -0.056) 6.948 6.547 ( 13.240 0.000 -6.020) 14.545 6.573 ( 2.404 -0.000 3.962) 4.635 6.838 ( -1.231 0.000 -5.122) 5.267 7.093 ( -0.323 0.000 1.431) 1.467 7.114 ( -2.542 0.000 -2.840) 3.811 7.351 ( 10.534 0.000 -2.391) 10.802 7.387 ( 3.881 0.000 -4.532) 5.967 7.627 ( 3.163 0.000 2.047) 3.768 7.885 ( -10.345 0.000 4.469) 11.269 8.118 ( -1.441 0.000 -2.077) 2.528 8.147 ( -2.426 -0.000 1.864) 3.059 8.327 ( 0.504 -0.000 5.372) 5.396 8.518 ( 8.590 0.000 -2.347) 8.905 8.575 ( 5.988 -0.000 -0.934) 6.061 8.684 ( 0.736 -0.000 -7.615) 7.651 8.697 ( 2.355 0.000 3.896) 4.553 8.943 ( -4.939 0.000 -2.661) 5.610 9.004 ( 5.705 0.000 1.650) 5.938 9.114 ( -5.811 0.000 7.900) 9.806 9.134 ( 0.010 -0.000 -6.823) 6.823 9.244 ( -4.426 0.000 0.380) 4.442 9.353 ( 0.634 0.000 -0.184) 0.660 9.570 ( -3.434 0.000 -7.050) 7.842 9.714 ( -0.838 0.000 5.446) 5.510 9.989 ( -6.849 -0.000 -0.053) 6.850 10.015 ( 1.676 -0.000 2.627) 3.116 10.040 ( -5.736 -0.000 -1.677) 5.976 10.160 ( 3.765 0.000 1.263) 3.971 10.335 ( -2.058 0.000 -4.824) 5.245 10.506 ( -6.378 -0.000 3.418) 7.236 10.662 ( -12.412 0.000 4.258) 13.122 10.817 ( 4.336 0.000 -1.061) 4.464 10.989 ( -7.408 -0.000 -5.346) 9.136 11.091 ( 5.201 0.000 4.587) 6.935 11.113 ( -8.347 0.000 -0.835) 8.389 11.359 ( -12.085 0.000 -3.973) 12.721 11.673 ( -7.111 0.000 -1.166) 7.206 12.018 ( -10.692 0.000 -0.550) 10.706 12.057 ( -2.040 -0.000 9.533) 9.749 12.118 ( -10.092 0.000 -4.598) 11.090 12.239 ( 0.811 -0.000 -6.538) 6.588 12.340 ( 6.315 0.000 4.074) 7.515 12.567 ( 6.466 0.000 -3.649) 7.425 12.689 ( 5.110 -0.000 6.712) 8.435 13.180 ( -2.733 0.000 6.947) 7.465 13.231 ( -4.270 0.000 7.021) 8.217 13.337 ( -0.785 0.000 -1.189) 1.425 13.361 ( 4.726 -0.000 0.580) 4.761 13.487 ( -8.426 -0.000 3.747) 9.222 13.498 ( -4.685 0.000 -3.645) 5.936 13.855 ( 8.085 -0.000 -3.578) 8.841 13.952 ( 3.050 0.000 1.492) 3.395 14.412 ( -0.008 0.000 7.479) 7.479 14.654 ( 0.937 0.000 -20.052) 20.073 14.993 ( -4.525 0.000 1.380) 4.731 15.454 ( 2.909 -0.000 -5.344) 6.084 15.643 ( -3.094 0.000 7.340) 7.966 15.959 ( 11.301 0.000 -13.733) 17.785 16.307 ( -2.981 -0.000 -7.056) 7.660 16.388 ( 8.300 0.000 7.838) 11.416 17.232 ( 3.795 0.000 3.231) 4.984 17.579 ( -8.269 0.000 12.735) 15.184 18.123 ( 0.790 0.000 -5.590) 5.646 18.431 ( 2.612 -0.000 -1.003) 2.798 20.027 ( -1.328 -0.000 -11.725) 11.800 20.393 ( -10.935 0.000 14.388) 18.072 21.115 ( 4.033 0.000 2.983) 5.016 21.723 ( 11.619 0.000 -15.364) 19.263 23.054 ( -15.608 0.000 26.147) 30.451 24.161 ( -5.049 0.000 -13.636) 14.541 ======================= Grid point 235 (124/130) ======================= q-point: ( 0.30 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -0.528 0.000 11.685) 11.697 2.892 ( -3.571 -0.000 9.226) 9.893 3.022 ( 0.817 -0.000 -1.373) 1.597 3.115 ( 12.358 0.000 1.954) 12.512 3.588 ( 9.658 0.000 6.740) 11.777 3.640 ( 15.715 -0.000 8.817) 18.019 3.921 ( 7.205 0.000 3.178) 7.874 3.944 ( -1.042 -0.000 -21.504) 21.529 4.538 ( -2.212 -0.000 7.681) 7.993 4.722 ( 8.588 -0.000 -7.273) 11.254 5.211 ( -3.774 0.000 -1.428) 4.035 5.356 ( -1.510 -0.000 -8.340) 8.476 5.425 ( 0.689 -0.000 -0.441) 0.818 5.559 ( -0.496 0.000 1.367) 1.454 5.674 ( 0.293 0.000 11.393) 11.397 5.719 ( 2.805 0.000 5.268) 5.968 5.853 ( 2.622 0.000 -9.730) 10.078 6.041 ( -0.036 0.000 1.266) 1.266 6.208 ( -7.673 0.000 2.204) 7.984 6.309 ( -2.993 0.000 3.144) 4.341 6.619 ( 1.099 0.000 1.021) 1.500 6.707 ( 2.596 0.000 -9.274) 9.630 6.801 ( 4.573 -0.000 -4.799) 6.629 7.062 ( -2.997 0.000 3.454) 4.573 7.127 ( 4.766 -0.000 -3.096) 5.683 7.428 ( 2.917 -0.000 -5.641) 6.350 7.539 ( 6.134 0.000 -0.278) 6.140 7.639 ( -2.753 -0.000 2.838) 3.954 7.705 ( -7.902 0.000 1.734) 8.090 8.038 ( -6.164 0.000 -3.450) 7.063 8.119 ( -0.942 -0.000 2.174) 2.369 8.332 ( -1.690 -0.000 2.896) 3.353 8.586 ( -1.061 -0.000 -6.554) 6.639 8.684 ( -0.241 -0.000 -4.420) 4.427 8.732 ( 8.284 0.000 6.429) 10.486 8.754 ( 4.062 -0.000 6.606) 7.755 8.849 ( -3.069 0.000 -2.384) 3.887 8.976 ( -4.716 -0.000 -2.745) 5.457 9.100 ( -1.860 -0.000 -1.157) 2.190 9.105 ( 0.470 0.000 -2.539) 2.582 9.222 ( 3.035 -0.000 6.404) 7.086 9.425 ( 5.543 0.000 -0.355) 5.554 9.509 ( -1.116 0.000 -1.651) 1.993 9.662 ( -5.193 -0.000 1.131) 5.314 9.833 ( -5.874 0.000 -2.105) 6.240 9.969 ( -4.274 0.000 -0.181) 4.278 10.035 ( -1.224 -0.000 2.019) 2.361 10.215 ( -0.680 -0.000 5.477) 5.519 10.226 ( -6.887 0.000 -3.631) 7.786 10.387 ( -7.322 0.000 1.179) 7.416 10.475 ( -8.017 0.000 -0.615) 8.041 10.762 ( -8.225 0.000 -7.539) 11.158 10.895 ( -0.427 0.000 0.202) 0.472 11.061 ( 2.061 0.000 1.662) 2.648 11.090 ( -11.095 0.000 1.451) 11.190 11.203 ( 3.506 0.000 1.432) 3.788 11.590 ( -4.104 -0.000 1.611) 4.409 11.807 ( -10.957 0.000 -1.588) 11.071 11.960 ( -3.730 -0.000 -2.226) 4.344 12.029 ( -3.250 0.000 10.197) 10.703 12.281 ( 5.072 0.000 -6.899) 8.562 12.447 ( 3.955 0.000 3.182) 5.076 12.740 ( 11.788 0.000 -1.536) 11.887 12.745 ( -0.288 -0.000 0.849) 0.896 13.135 ( -4.031 0.000 -0.054) 4.032 13.195 ( -2.310 -0.000 3.111) 3.874 13.278 ( -6.539 0.000 4.633) 8.013 13.370 ( -5.300 0.000 7.751) 9.390 13.406 ( -1.511 0.000 -4.122) 4.390 13.462 ( 4.713 -0.000 3.176) 5.683 13.993 ( 7.433 0.000 -3.760) 8.330 14.006 ( 2.076 -0.000 0.610) 2.164 14.404 ( -3.413 0.000 3.570) 4.939 14.583 ( -1.028 0.000 -17.042) 17.073 14.940 ( -1.543 0.000 1.406) 2.087 15.391 ( -4.806 0.000 -15.257) 15.996 15.669 ( 1.747 0.000 14.850) 14.952 16.074 ( 3.178 0.000 -8.441) 9.019 16.318 ( 10.230 -0.000 -11.359) 15.287 16.593 ( 7.515 0.000 10.960) 13.289 17.340 ( 5.654 -0.000 1.210) 5.782 17.413 ( -12.420 0.000 11.526) 16.944 18.148 ( 3.962 0.000 -5.450) 6.738 18.429 ( -2.365 0.000 -0.422) 2.402 20.028 ( 5.494 0.000 -14.219) 15.244 20.220 ( -12.926 0.000 15.163) 19.925 21.215 ( 5.216 -0.000 3.652) 6.368 21.797 ( 2.290 0.000 -12.770) 12.974 22.938 ( -6.571 0.000 22.238) 23.188 23.952 ( -11.301 0.000 -11.440) 16.081 ======================= Grid point 237 (125/130) ======================= q-point: ( 0.40 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 1.322 0.000 10.228) 10.313 2.955 ( 3.477 -0.000 13.912) 14.340 2.963 ( -5.511 0.000 -6.776) 8.734 3.311 ( 7.082 0.000 -0.194) 7.085 3.690 ( -2.391 0.000 10.961) 11.219 3.797 ( 3.765 0.000 -13.095) 13.625 3.933 ( 4.097 -0.000 1.326) 4.307 4.051 ( 5.940 0.000 -1.588) 6.148 4.613 ( 3.037 0.000 9.574) 10.044 4.844 ( 7.167 -0.000 -11.044) 13.165 5.212 ( 5.126 0.000 -2.274) 5.608 5.314 ( -1.037 0.000 -4.543) 4.659 5.490 ( 6.310 -0.000 0.146) 6.312 5.581 ( 3.899 0.000 1.266) 4.099 5.732 ( 0.374 0.000 11.822) 11.828 5.789 ( 3.490 0.000 1.495) 3.797 5.824 ( -3.520 -0.000 -3.099) 4.690 6.026 ( -10.812 0.000 0.592) 10.828 6.089 ( 3.914 -0.000 -1.110) 4.069 6.252 ( -3.983 0.000 0.300) 3.994 6.622 ( -0.687 0.000 0.085) 0.692 6.665 ( -0.894 0.000 -4.322) 4.414 6.927 ( 8.544 0.000 -7.778) 11.554 7.007 ( -5.216 0.000 5.918) 7.889 7.229 ( 6.505 -0.000 -4.392) 7.849 7.374 ( -7.784 0.000 0.511) 7.801 7.542 ( 1.452 0.000 -6.126) 6.296 7.558 ( -6.334 0.000 3.337) 7.159 7.716 ( 3.836 -0.000 1.406) 4.086 7.890 ( -7.164 0.000 -1.969) 7.429 8.143 ( 2.800 -0.000 1.969) 3.423 8.292 ( -3.338 0.000 2.192) 3.993 8.526 ( -2.894 -0.000 -4.536) 5.381 8.583 ( -5.793 0.000 -4.372) 7.257 8.775 ( -3.893 -0.000 5.894) 7.064 8.786 ( -0.507 0.000 -2.119) 2.179 8.971 ( 4.433 0.000 -0.372) 4.448 8.972 ( 9.947 -0.000 3.240) 10.462 9.048 ( -1.394 -0.000 0.329) 1.433 9.122 ( 1.281 0.000 -2.105) 2.464 9.337 ( 5.675 0.000 4.963) 7.539 9.497 ( -0.694 -0.000 -5.238) 5.284 9.504 ( -0.043 0.000 1.571) 1.572 9.593 ( 0.940 -0.000 5.563) 5.642 9.773 ( -0.529 0.000 0.463) 0.703 9.889 ( -2.796 -0.000 -0.258) 2.808 9.974 ( -5.418 0.000 0.063) 5.419 10.098 ( -4.720 0.000 -1.907) 5.091 10.189 ( -4.629 0.000 3.123) 5.584 10.225 ( -9.588 0.000 -3.821) 10.321 10.329 ( -4.676 0.000 -3.339) 5.746 10.596 ( -5.582 0.000 -6.716) 8.733 10.904 ( 1.510 0.000 0.342) 1.548 10.962 ( -5.069 0.000 9.299) 10.591 11.149 ( 5.022 -0.000 3.386) 6.057 11.275 ( 3.141 0.000 -0.666) 3.211 11.498 ( -4.774 -0.000 -1.431) 4.984 11.613 ( -8.301 0.000 -3.008) 8.829 11.968 ( 3.301 0.000 1.950) 3.834 12.025 ( -1.867 0.000 9.979) 10.152 12.369 ( 6.835 0.000 -2.682) 7.342 12.530 ( 3.921 0.000 2.071) 4.434 12.715 ( -2.067 -0.000 -1.579) 2.601 12.888 ( -3.410 0.000 0.466) 3.442 13.006 ( -2.472 0.000 -3.788) 4.523 13.159 ( -1.898 0.000 -0.336) 1.928 13.243 ( 2.669 0.000 -0.005) 2.669 13.324 ( -2.475 0.000 2.636) 3.616 13.418 ( 3.051 0.000 3.913) 4.962 13.557 ( 2.860 -0.000 6.283) 6.904 14.036 ( 1.204 0.000 0.353) 1.255 14.095 ( 4.685 -0.000 -2.294) 5.216 14.309 ( -6.818 0.000 -1.351) 6.950 14.489 ( -2.204 0.000 -14.468) 14.634 14.946 ( 1.502 0.000 0.622) 1.626 15.230 ( -5.811 0.000 -11.434) 12.826 15.773 ( 2.983 0.000 12.129) 12.491 16.056 ( -0.913 0.000 -5.064) 5.146 16.539 ( 16.341 -0.000 -13.766) 21.366 16.674 ( -5.087 0.000 12.226) 13.242 17.290 ( -3.281 -0.000 8.661) 9.262 17.425 ( 2.975 0.000 -1.283) 3.240 18.219 ( 5.289 0.000 -4.082) 6.681 18.349 ( -6.165 0.000 2.373) 6.606 20.046 ( -11.383 0.000 14.245) 18.234 20.095 ( 7.407 -0.000 -14.691) 16.453 21.334 ( 5.508 0.000 4.842) 7.334 21.729 ( -4.434 0.000 -8.863) 9.910 22.977 ( 2.360 0.000 17.625) 17.782 23.683 ( -11.664 0.000 -11.554) 16.418 ======================= Grid point 239 (126/130) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 8.770 0.000 9.067) 12.615 2.807 ( -5.942 0.000 -10.693) 12.233 3.075 ( 2.472 0.000 16.466) 16.651 3.337 ( -2.567 0.000 -6.912) 7.373 3.611 ( -9.494 0.000 10.418) 14.095 3.854 ( 7.709 0.000 -12.485) 14.673 4.001 ( 0.496 0.000 6.956) 6.974 4.112 ( 1.345 0.000 -4.090) 4.305 4.638 ( -3.938 0.000 10.813) 11.508 4.892 ( 2.254 0.000 -11.810) 12.024 5.254 ( -5.018 0.000 0.544) 5.048 5.305 ( 3.350 0.000 -3.865) 5.115 5.617 ( 4.329 0.000 3.324) 5.458 5.672 ( -6.953 0.000 -1.540) 7.121 5.714 ( -6.216 -0.000 6.483) 8.982 5.781 ( 13.204 0.000 -1.138) 13.253 5.889 ( 5.817 0.000 -1.404) 5.984 5.890 ( -0.610 -0.000 -3.862) 3.910 6.128 ( -0.021 0.000 2.818) 2.818 6.182 ( -3.304 0.000 -1.792) 3.759 6.603 ( -1.439 0.000 1.086) 1.803 6.647 ( 0.055 0.000 -2.571) 2.572 6.904 ( -8.045 0.000 7.429) 10.950 7.035 ( 4.782 0.000 -4.792) 6.770 7.259 ( -3.508 0.000 -1.005) 3.649 7.314 ( 5.545 0.000 -5.229) 7.622 7.481 ( -2.346 0.000 2.203) 3.218 7.558 ( 2.291 0.000 -4.448) 5.004 7.782 ( -4.119 -0.000 0.828) 4.202 7.785 ( 3.094 0.000 0.750) 3.184 8.235 ( 6.039 0.000 1.030) 6.126 8.237 ( -2.948 0.000 0.592) 3.007 8.467 ( -1.309 0.000 -1.470) 1.969 8.472 ( -3.852 0.000 -2.066) 4.371 8.741 ( -0.761 0.000 1.988) 2.128 8.795 ( 2.511 0.000 -3.074) 3.969 8.995 ( -2.380 0.000 6.467) 6.891 9.090 ( 1.913 0.000 -0.882) 2.106 9.107 ( 4.733 0.000 0.048) 4.734 9.115 ( -1.893 0.000 -2.426) 3.077 9.425 ( -2.279 0.000 -2.118) 3.111 9.427 ( 0.203 0.000 -2.357) 2.365 9.534 ( 4.524 -0.000 7.140) 8.452 9.659 ( 1.177 0.000 -3.178) 3.389 9.827 ( 4.813 0.000 6.673) 8.228 9.885 ( -2.644 0.000 -0.337) 2.666 9.890 ( 2.499 0.000 1.907) 3.144 10.008 ( -10.063 -0.000 -6.421) 11.937 10.046 ( -0.950 0.000 0.348) 1.012 10.087 ( -1.559 0.000 -3.504) 3.835 10.335 ( 2.540 0.000 6.757) 7.219 10.495 ( -2.671 0.000 -8.020) 8.453 10.926 ( -2.642 0.000 6.299) 6.830 10.970 ( 4.997 -0.000 1.386) 5.186 11.236 ( 2.053 0.000 3.694) 4.226 11.290 ( -1.609 -0.000 -1.979) 2.551 11.453 ( 1.486 0.000 -0.234) 1.504 11.495 ( -2.189 0.000 -4.303) 4.827 12.016 ( -2.693 0.000 6.395) 6.940 12.052 ( 3.992 0.000 2.265) 4.590 12.522 ( 8.193 -0.000 4.037) 9.133 12.600 ( -0.199 0.000 4.507) 4.512 12.657 ( -10.213 0.000 -8.320) 13.173 12.671 ( -1.130 0.000 -2.111) 2.395 13.046 ( 1.930 0.000 5.378) 5.714 13.103 ( -5.326 0.000 0.375) 5.340 13.293 ( -0.288 -0.000 -2.420) 2.437 13.304 ( 3.676 0.000 -3.721) 5.231 13.538 ( 5.449 0.000 5.229) 7.553 13.594 ( -1.027 0.000 1.777) 2.053 14.077 ( 3.246 0.000 1.397) 3.534 14.159 ( 2.767 0.000 0.571) 2.826 14.171 ( -5.574 0.000 -3.488) 6.575 14.407 ( 0.151 0.000 -14.048) 14.049 14.989 ( 2.408 0.000 1.042) 2.624 15.100 ( -4.257 0.000 -7.004) 8.197 15.858 ( 1.342 0.000 10.186) 10.274 16.014 ( -1.689 0.000 -4.523) 4.828 16.529 ( -12.907 0.000 10.249) 16.481 16.782 ( 14.060 0.000 -13.141) 19.245 17.324 ( 1.424 0.000 7.498) 7.632 17.442 ( 0.650 0.000 -4.500) 4.547 18.228 ( -8.062 0.000 5.558) 9.792 18.302 ( 4.546 0.000 -2.017) 4.974 19.910 ( -8.565 0.000 12.670) 15.293 20.195 ( 9.387 0.000 -14.362) 17.158 21.446 ( 3.559 0.000 7.409) 8.220 21.587 ( -7.058 0.000 -6.122) 9.343 23.150 ( 8.871 0.000 15.244) 17.638 23.459 ( -6.132 0.000 -14.112) 15.386 ======================= Grid point 241 (127/130) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 0.189 -0.000 -12.047) 12.048 2.841 ( 10.901 0.000 5.863) 12.377 3.163 ( -0.376 0.000 16.960) 16.964 3.211 ( -6.373 -0.000 -8.966) 11.000 3.458 ( -9.552 0.000 10.763) 14.391 3.885 ( -3.994 0.000 -5.222) 6.574 4.027 ( 1.983 0.000 0.445) 2.032 4.058 ( -5.689 -0.000 -5.679) 8.038 4.591 ( -4.545 0.000 9.944) 10.933 4.811 ( -6.460 0.000 -9.261) 11.292 5.154 ( -4.406 0.000 3.310) 5.511 5.285 ( -4.334 0.000 -0.978) 4.443 5.514 ( -6.192 0.000 -1.421) 6.352 5.607 ( -1.307 -0.000 0.075) 1.309 5.697 ( -1.228 -0.000 4.530) 4.693 5.927 ( -0.478 0.000 -7.009) 7.026 5.931 ( 5.739 0.000 -9.234) 10.872 6.055 ( 12.996 0.000 -1.605) 13.095 6.090 ( -5.535 -0.000 -1.034) 5.631 6.188 ( 5.664 0.000 6.887) 8.917 6.582 ( -1.547 0.000 3.151) 3.510 6.641 ( 0.023 0.000 -1.429) 1.429 6.783 ( -7.348 0.000 5.527) 9.195 7.071 ( 1.084 0.000 -0.030) 1.085 7.204 ( -2.443 0.000 -2.839) 3.745 7.390 ( -0.047 0.000 -0.552) 0.554 7.503 ( 6.871 0.000 -2.775) 7.410 7.614 ( 4.897 0.000 -2.437) 5.469 7.726 ( -2.726 0.000 0.226) 2.736 7.847 ( 3.428 0.000 2.208) 4.077 8.185 ( -1.831 0.000 -1.909) 2.645 8.348 ( 5.406 0.000 -2.510) 5.960 8.441 ( -0.023 0.000 3.013) 3.013 8.486 ( 2.675 0.000 4.609) 5.329 8.763 ( 2.522 0.000 -0.019) 2.522 8.843 ( 2.413 0.000 -0.372) 2.442 8.962 ( -4.246 0.000 7.549) 8.661 9.020 ( -4.935 0.000 -6.363) 8.052 9.099 ( 1.116 0.000 -2.343) 2.596 9.112 ( -4.416 -0.000 -4.175) 6.077 9.390 ( -1.247 0.000 -1.868) 2.246 9.407 ( 0.580 -0.000 2.377) 2.447 9.607 ( -3.498 0.000 -7.025) 7.847 9.671 ( 5.418 0.000 -0.466) 5.438 9.808 ( -5.644 -0.000 -3.660) 6.726 9.899 ( 2.489 0.000 -0.689) 2.582 9.947 ( 4.252 0.000 2.809) 5.096 9.973 ( 4.906 0.000 9.866) 11.018 10.123 ( 8.947 0.000 5.284) 10.391 10.186 ( 11.051 0.000 -0.652) 11.070 10.422 ( -1.927 -0.000 -8.471) 8.688 10.438 ( 5.172 0.000 8.199) 9.694 10.910 ( -0.267 0.000 0.474) 0.544 11.076 ( 5.345 -0.000 -0.504) 5.369 11.204 ( -6.016 0.000 -2.186) 6.401 11.251 ( -1.015 0.000 1.789) 2.057 11.502 ( 3.973 0.000 -3.196) 5.099 11.554 ( 8.168 0.000 2.701) 8.603 11.975 ( -3.318 0.000 2.535) 4.176 12.121 ( 2.442 0.000 1.754) 3.007 12.385 ( -11.070 0.000 -4.125) 11.814 12.561 ( -3.161 0.000 -1.980) 3.729 12.683 ( 3.549 0.000 0.561) 3.593 12.781 ( 8.568 0.000 10.364) 13.447 12.947 ( -9.810 -0.000 -0.310) 9.815 13.114 ( 3.743 0.000 3.222) 4.938 13.299 ( 1.339 -0.000 -2.586) 2.912 13.357 ( 3.144 0.000 -1.402) 3.442 13.549 ( -1.505 -0.000 -6.415) 6.589 13.592 ( -1.535 0.000 3.263) 3.606 14.092 ( -1.501 0.000 -4.439) 4.686 14.118 ( -1.110 -0.000 -1.386) 1.776 14.216 ( 1.623 0.000 7.006) 7.191 14.439 ( 9.678 0.000 -12.821) 16.064 15.016 ( -2.365 0.000 -3.972) 4.623 15.042 ( 2.492 0.000 3.534) 4.324 15.898 ( -1.233 0.000 9.655) 9.734 15.958 ( -2.179 -0.000 -5.196) 5.634 16.320 ( -12.205 0.000 6.995) 14.068 16.899 ( 0.948 0.000 -8.598) 8.650 17.353 ( -1.454 0.000 5.888) 6.065 17.480 ( 8.552 -0.000 -10.398) 13.463 18.101 ( -8.016 0.000 7.809) 11.191 18.367 ( 2.565 0.000 0.295) 2.582 19.819 ( -6.229 0.000 11.531) 13.106 20.338 ( 11.481 0.000 -13.617) 17.811 21.433 ( -6.784 0.000 -5.044) 8.454 21.508 ( -1.237 -0.000 11.821) 11.886 23.368 ( 3.458 -0.000 -18.943) 19.256 23.405 ( 11.384 0.000 15.158) 18.957 ======================= Grid point 243 (128/130) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 0.394 0.000 -11.230) 11.237 2.984 ( 2.004 0.000 2.270) 3.028 3.088 ( -0.793 0.000 -8.292) 8.330 3.124 ( -9.561 -0.000 2.938) 10.002 3.464 ( 5.268 0.000 22.230) 22.846 3.673 ( -15.911 0.000 -0.672) 15.925 3.835 ( -15.191 -0.000 -7.520) 16.950 4.027 ( -2.265 0.000 -5.189) 5.662 4.559 ( -1.914 0.000 5.901) 6.204 4.679 ( -1.509 -0.000 -6.768) 6.934 5.141 ( 0.859 0.000 4.629) 4.708 5.200 ( -2.827 0.000 5.074) 5.808 5.457 ( 0.125 0.000 -2.325) 2.329 5.585 ( -4.388 0.000 1.978) 4.813 5.680 ( -0.128 -0.000 3.100) 3.103 5.870 ( -1.818 -0.000 -6.161) 6.423 5.907 ( -3.012 0.000 -10.749) 11.163 6.087 ( 5.730 0.000 -3.556) 6.744 6.228 ( 5.196 -0.000 0.392) 5.210 6.310 ( 3.151 0.000 3.185) 4.480 6.553 ( -4.250 0.000 4.570) 6.241 6.636 ( -0.021 0.000 -1.288) 1.288 6.712 ( 0.153 0.000 4.001) 4.004 7.084 ( -0.405 0.000 1.926) 1.968 7.141 ( -2.441 0.000 -5.207) 5.751 7.363 ( -1.159 0.000 -0.985) 1.520 7.511 ( -8.988 0.000 3.149) 9.523 7.680 ( 1.992 0.000 -1.535) 2.515 7.772 ( 9.910 0.000 -4.271) 10.791 7.938 ( 4.291 0.000 4.784) 6.427 8.175 ( 1.594 0.000 -2.547) 3.005 8.408 ( 2.122 -0.000 -3.059) 3.723 8.456 ( -0.988 0.000 5.272) 5.364 8.562 ( 1.042 -0.000 7.685) 7.755 8.801 ( -7.475 0.000 1.666) 7.658 8.822 ( 2.763 -0.000 -0.789) 2.873 8.873 ( -5.235 0.000 -4.295) 6.772 8.980 ( 3.290 0.000 -4.869) 5.876 8.997 ( -4.785 0.000 4.209) 6.373 9.143 ( 4.715 -0.000 -1.710) 5.016 9.364 ( 0.213 -0.000 -7.759) 7.762 9.433 ( -0.242 -0.000 0.745) 0.783 9.507 ( -4.409 0.000 -2.129) 4.896 9.695 ( 2.759 -0.000 -3.090) 4.143 9.820 ( 5.051 0.000 -0.713) 5.101 9.967 ( 4.204 -0.000 0.626) 4.251 10.027 ( 2.900 0.000 4.662) 5.490 10.112 ( 5.673 0.000 5.448) 7.865 10.346 ( -2.970 0.000 -5.835) 6.547 10.405 ( 11.004 0.000 -0.726) 11.028 10.409 ( 17.197 -0.000 3.470) 17.544 10.587 ( 6.705 0.000 9.385) 11.534 10.895 ( -2.611 0.000 -0.826) 2.738 11.113 ( -0.198 -0.000 -2.447) 2.455 11.147 ( 2.942 0.000 -2.533) 3.882 11.232 ( -0.433 0.000 -1.397) 1.463 11.597 ( 5.941 0.000 -0.160) 5.943 11.755 ( 11.252 0.000 3.419) 11.760 11.933 ( -0.821 0.000 1.337) 1.569 12.133 ( -3.928 0.000 5.508) 6.766 12.237 ( -0.459 0.000 -7.804) 7.818 12.479 ( -4.964 0.000 -0.131) 4.966 12.702 ( -11.253 -0.000 1.495) 11.352 12.749 ( 2.936 0.000 0.588) 2.994 13.037 ( 10.137 0.000 8.049) 12.944 13.209 ( 5.429 0.000 0.795) 5.486 13.305 ( -0.153 -0.000 0.187) 0.242 13.408 ( 2.555 -0.000 -1.990) 3.239 13.522 ( 2.068 -0.000 -10.384) 10.588 13.531 ( -5.292 0.000 3.562) 6.379 14.031 ( -5.680 0.000 -5.345) 7.800 14.055 ( -1.252 -0.000 -3.828) 4.028 14.269 ( 0.191 0.000 10.806) 10.807 14.604 ( 11.490 -0.000 -15.610) 19.382 14.982 ( -0.192 0.000 -1.361) 1.375 15.119 ( 3.407 0.000 8.559) 9.213 15.872 ( -6.231 0.000 8.814) 10.794 15.898 ( -1.551 -0.000 -6.675) 6.853 16.166 ( -4.937 0.000 4.642) 6.777 16.762 ( -10.716 0.000 -5.677) 12.127 17.317 ( -3.921 0.000 3.392) 5.184 17.670 ( 13.987 -0.000 -12.441) 18.719 18.005 ( -4.917 0.000 8.173) 9.538 18.397 ( 0.115 0.000 2.281) 2.284 19.768 ( -3.386 0.000 10.547) 11.078 20.507 ( 11.373 0.000 -12.380) 16.811 21.300 ( -5.327 0.000 -4.952) 7.273 21.485 ( -7.085 -0.000 16.343) 17.813 23.439 ( 12.640 -0.000 -24.430) 27.506 23.663 ( 8.791 0.000 16.454) 18.655 ======================= Grid point 245 (129/130) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -8.957 0.000 -7.551) 11.715 2.856 ( -16.449 0.000 -1.418) 16.510 3.022 ( 1.761 0.000 1.356) 2.222 3.074 ( -7.198 -0.000 -3.646) 8.068 3.435 ( -0.435 0.000 -1.257) 1.330 3.476 ( -17.145 -0.000 -11.031) 20.387 3.706 ( 8.661 0.000 18.209) 20.164 3.902 ( -7.256 0.000 -8.781) 11.390 4.568 ( 1.648 0.000 0.535) 1.732 4.712 ( 5.674 0.000 -3.802) 6.830 5.199 ( 1.974 0.000 5.959) 6.278 5.255 ( 4.991 0.000 9.643) 10.858 5.455 ( -8.233 -0.000 6.389) 10.421 5.479 ( 2.944 0.000 -2.840) 4.090 5.710 ( 0.776 -0.000 2.860) 2.964 5.819 ( -1.276 -0.000 -5.958) 6.093 5.864 ( 3.074 0.000 -7.872) 8.451 6.175 ( 4.781 0.000 -7.634) 9.007 6.178 ( -10.729 -0.000 5.301) 11.967 6.384 ( 4.605 0.000 2.324) 5.158 6.501 ( -1.343 -0.000 0.788) 1.557 6.637 ( 1.570 -0.000 -3.386) 3.732 6.780 ( 2.127 0.000 1.577) 2.648 7.064 ( -3.338 0.000 3.974) 5.190 7.094 ( 0.413 0.000 -2.438) 2.472 7.268 ( -11.178 -0.000 3.875) 11.831 7.384 ( -0.749 0.000 -3.045) 3.136 7.663 ( -3.193 0.000 -1.781) 3.656 7.968 ( 11.550 0.000 -1.820) 11.693 8.017 ( 1.516 -0.000 5.898) 6.090 8.203 ( 1.699 0.000 -2.562) 3.074 8.404 ( -2.127 0.000 0.454) 2.175 8.441 ( -2.385 -0.000 5.735) 6.211 8.504 ( -8.269 0.000 0.262) 8.273 8.650 ( -7.970 0.000 -1.117) 8.047 8.778 ( -1.029 0.000 -3.617) 3.761 8.886 ( 1.872 0.000 -0.339) 1.902 8.984 ( 0.821 -0.000 6.913) 6.962 9.018 ( 0.517 0.000 0.228) 0.565 9.245 ( 4.626 -0.000 0.413) 4.644 9.341 ( 3.147 -0.000 -11.953) 12.360 9.406 ( -0.678 -0.000 -3.787) 3.847 9.456 ( -1.275 0.000 3.029) 3.286 9.790 ( 5.771 0.000 -1.072) 5.870 9.947 ( 9.156 -0.000 0.521) 9.171 10.050 ( 3.740 -0.000 1.096) 3.898 10.062 ( -0.975 0.000 -0.289) 1.017 10.216 ( 3.083 0.000 5.183) 6.031 10.234 ( -5.572 -0.000 -6.744) 8.748 10.544 ( 3.821 0.000 -0.298) 3.833 10.722 ( 2.489 0.000 6.955) 7.387 10.730 ( 14.171 -0.000 -1.375) 14.238 10.874 ( 2.371 0.000 5.363) 5.864 11.166 ( 0.603 0.000 -2.313) 2.391 11.177 ( 7.323 -0.000 -5.747) 9.309 11.281 ( 6.407 0.000 1.167) 6.512 11.676 ( 2.625 0.000 -0.298) 2.642 11.957 ( 6.541 0.000 5.132) 8.314 12.003 ( 6.865 0.000 5.967) 9.096 12.091 ( 0.115 -0.000 4.559) 4.560 12.268 ( 5.653 0.000 -7.899) 9.714 12.356 ( -8.808 0.000 2.347) 9.115 12.555 ( -3.868 -0.000 -2.549) 4.632 12.780 ( 0.187 0.000 -1.747) 1.757 13.211 ( 2.811 -0.000 9.447) 9.856 13.314 ( 5.332 0.000 -0.975) 5.420 13.324 ( 4.690 -0.000 -4.563) 6.543 13.359 ( -6.890 0.000 -0.711) 6.927 13.511 ( 1.589 0.000 3.170) 3.546 13.529 ( 1.615 -0.000 -6.219) 6.425 13.894 ( -5.905 0.000 -5.426) 8.020 14.009 ( -1.943 -0.000 -3.868) 4.329 14.300 ( -1.919 0.000 13.407) 13.543 14.712 ( 7.825 0.000 -22.513) 23.834 14.998 ( 2.040 0.000 1.611) 2.599 15.227 ( 3.254 0.000 11.180) 11.644 15.736 ( -10.009 0.000 6.339) 11.847 15.857 ( 0.292 -0.000 -7.917) 7.922 16.189 ( 4.287 0.000 4.676) 6.343 16.518 ( -11.642 0.000 -5.149) 12.729 17.254 ( -2.875 0.000 0.827) 2.991 17.825 ( 5.848 -0.000 -7.339) 9.384 17.985 ( -1.099 0.000 4.986) 5.106 18.387 ( -2.343 0.000 2.960) 3.775 19.813 ( 5.646 0.000 8.671) 10.348 20.650 ( 8.168 0.000 -10.474) 13.283 21.200 ( -3.040 0.000 -5.622) 6.391 21.366 ( -12.868 -0.000 18.316) 22.384 23.633 ( 18.178 -0.000 -28.054) 33.429 23.828 ( 0.745 0.000 18.697) 18.712 ======================= Grid point 247 (130/130) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -9.197 0.000 -1.513) 9.320 2.539 ( -14.295 0.000 -4.226) 14.907 2.825 ( -11.851 0.000 2.217) 12.056 3.088 ( -2.862 0.000 1.772) 3.366 3.160 ( -3.594 0.000 -12.254) 12.770 3.526 ( -2.583 0.000 0.252) 2.595 3.800 ( 7.738 -0.000 -14.365) 16.316 3.867 ( 1.109 0.000 11.228) 11.282 4.628 ( 5.025 0.000 -2.284) 5.519 4.775 ( -0.369 0.000 -1.184) 1.240 5.210 ( -0.815 0.000 5.657) 5.715 5.408 ( 5.906 -0.000 8.016) 9.957 5.446 ( 3.288 0.000 7.928) 8.582 5.524 ( 1.690 -0.000 -2.069) 2.672 5.752 ( 3.421 -0.000 6.461) 7.311 5.783 ( 0.716 0.000 -5.215) 5.264 5.933 ( 5.996 0.000 -6.046) 8.515 5.969 ( -12.490 -0.000 7.520) 14.579 6.167 ( -3.178 0.000 -6.970) 7.660 6.422 ( -2.723 0.000 0.007) 2.723 6.554 ( 8.232 0.000 -2.099) 8.495 6.689 ( 6.358 -0.000 -7.761) 10.033 6.729 ( -7.127 0.000 2.118) 7.435 6.928 ( -12.124 -0.000 4.333) 12.875 7.160 ( 4.865 -0.000 1.945) 5.239 7.174 ( -0.191 0.000 6.709) 6.712 7.371 ( 0.624 0.000 -5.390) 5.426 7.560 ( -6.222 0.000 -2.437) 6.682 8.044 ( -0.555 0.000 6.119) 6.144 8.177 ( 7.814 0.000 4.677) 9.106 8.207 ( 2.574 0.000 -7.208) 7.654 8.304 ( -7.107 -0.000 3.145) 7.772 8.396 ( -2.936 0.000 -1.217) 3.178 8.421 ( -2.105 -0.000 4.701) 5.151 8.509 ( -5.986 0.000 -1.519) 6.176 8.743 ( -0.962 0.000 -4.394) 4.498 8.893 ( -0.672 0.000 -0.666) 0.946 8.998 ( -1.225 -0.000 -3.059) 3.296 9.057 ( 3.404 0.000 5.457) 6.431 9.273 ( -0.336 -0.000 -0.191) 0.386 9.401 ( 0.659 -0.000 -1.088) 1.272 9.425 ( 6.740 0.000 -5.777) 8.877 9.464 ( 0.303 0.000 5.118) 5.126 9.848 ( 1.299 0.000 -7.136) 7.253 9.993 ( -4.364 0.000 -1.727) 4.694 10.055 ( -3.356 0.000 -1.345) 3.616 10.150 ( 9.900 0.000 2.247) 10.152 10.184 ( 5.083 0.000 -3.132) 5.970 10.265 ( 0.046 0.000 4.150) 4.150 10.605 ( 2.652 0.000 1.012) 2.839 10.697 ( -5.490 0.000 1.848) 5.793 10.868 ( 1.230 0.000 -2.267) 2.579 10.978 ( 3.526 -0.000 6.811) 7.670 11.196 ( 4.718 0.000 -9.715) 10.799 11.332 ( 10.652 0.000 -3.075) 11.087 11.417 ( 4.273 -0.000 6.535) 7.808 11.761 ( 6.762 0.000 4.377) 8.056 12.008 ( -1.546 0.000 6.629) 6.807 12.163 ( 0.873 0.000 11.082) 11.116 12.168 ( 3.964 -0.000 -0.031) 3.964 12.228 ( 0.210 0.000 1.458) 1.473 12.374 ( 7.633 -0.000 -6.265) 9.875 12.498 ( -2.200 -0.000 -2.659) 3.451 12.732 ( -3.693 0.000 -6.507) 7.482 13.215 ( -7.203 -0.000 2.491) 7.622 13.231 ( -0.899 0.000 2.322) 2.490 13.407 ( 4.881 0.000 -3.342) 5.916 13.419 ( 5.355 0.000 -6.631) 8.523 13.521 ( -1.301 0.000 1.087) 1.696 13.525 ( -2.406 -0.000 3.711) 4.422 13.811 ( -0.595 0.000 -2.047) 2.132 13.954 ( -2.574 0.000 -3.879) 4.656 14.302 ( -3.412 0.000 15.483) 15.854 14.737 ( 5.389 0.000 -26.272) 26.819 15.091 ( 7.435 0.000 2.415) 7.817 15.290 ( -0.990 0.000 6.961) 7.031 15.588 ( -8.027 0.000 8.000) 11.333 15.837 ( 0.376 0.000 -9.150) 9.158 16.299 ( 4.087 0.000 2.872) 4.995 16.342 ( -4.028 -0.000 -3.218) 5.155 17.254 ( 3.754 0.000 0.091) 3.755 17.781 ( -9.372 0.000 -9.850) 13.596 18.013 ( 3.712 0.000 10.294) 10.943 18.332 ( -4.346 0.000 1.587) 4.627 20.064 ( 16.723 0.000 7.033) 18.142 20.709 ( 0.563 0.000 -8.085) 8.105 21.153 ( -15.438 0.000 15.925) 22.179 21.154 ( 1.534 -0.000 -8.016) 8.161 23.814 ( -10.622 0.000 21.696) 24.157 23.883 ( 19.334 0.000 -27.681) 33.765 =================== 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 3/36000 10.0 625.280 668.541 609.829 0.000 -11.500 0.000 3/36000 20.0 222.617 277.940 268.397 0.000 -44.018 0.000 3/36000 30.0 89.787 119.240 105.301 0.000 -18.803 0.000 3/36000 40.0 42.748 56.354 48.137 0.000 -9.012 0.000 3/36000 50.0 24.002 30.903 26.035 0.000 -4.960 0.000 3/36000 60.0 15.319 19.327 16.128 0.000 -3.083 0.000 3/36000 70.0 10.726 13.327 11.041 0.000 -2.106 0.000 3/36000 80.0 8.033 9.869 8.133 0.000 -1.544 0.000 3/36000 90.0 6.325 7.704 6.327 0.000 -1.193 0.000 3/36000 100.0 5.175 6.258 5.129 0.000 -0.959 0.000 3/36000 110.0 4.361 5.243 4.294 0.000 -0.795 0.000 3/36000 120.0 3.763 4.500 3.687 0.000 -0.676 0.000 3/36000 130.0 3.309 3.938 3.231 0.000 -0.586 0.000 3/36000 140.0 2.954 3.500 2.878 0.000 -0.517 0.000 3/36000 150.0 2.671 3.150 2.599 0.000 -0.462 0.000 3/36000 160.0 2.440 2.866 2.373 0.000 -0.418 0.000 3/36000 170.0 2.248 2.631 2.186 0.000 -0.382 0.000 3/36000 180.0 2.087 2.433 2.031 0.000 -0.352 0.000 3/36000 190.0 1.949 2.265 1.898 0.000 -0.326 0.000 3/36000 200.0 1.830 2.120 1.785 0.000 -0.305 0.000 3/36000 210.0 1.726 1.993 1.686 0.000 -0.286 0.000 3/36000 220.0 1.634 1.882 1.599 0.000 -0.270 0.000 3/36000 230.0 1.553 1.784 1.523 0.000 -0.256 0.000 3/36000 240.0 1.480 1.696 1.454 0.000 -0.243 0.000 3/36000 250.0 1.414 1.617 1.392 0.000 -0.232 0.000 3/36000 260.0 1.355 1.546 1.336 0.000 -0.222 0.000 3/36000 270.0 1.301 1.481 1.286 0.000 -0.213 0.000 3/36000 280.0 1.251 1.422 1.239 0.000 -0.204 0.000 3/36000 290.0 1.205 1.367 1.196 0.000 -0.197 0.000 3/36000 300.0 1.163 1.317 1.156 0.000 -0.190 0.000 3/36000 310.0 1.124 1.271 1.119 0.000 -0.184 0.000 3/36000 320.0 1.088 1.228 1.085 0.000 -0.178 0.000 3/36000 330.0 1.054 1.188 1.053 0.000 -0.172 0.000 3/36000 340.0 1.022 1.151 1.023 0.000 -0.167 0.000 3/36000 350.0 0.992 1.116 0.995 0.000 -0.162 0.000 3/36000 360.0 0.964 1.083 0.968 0.000 -0.158 0.000 3/36000 370.0 0.938 1.053 0.943 0.000 -0.154 0.000 3/36000 380.0 0.913 1.024 0.919 0.000 -0.150 0.000 3/36000 390.0 0.889 0.996 0.897 0.000 -0.146 0.000 3/36000 400.0 0.867 0.970 0.875 0.000 -0.142 0.000 3/36000 410.0 0.846 0.946 0.855 0.000 -0.139 0.000 3/36000 420.0 0.825 0.923 0.836 0.000 -0.136 0.000 3/36000 430.0 0.806 0.900 0.817 0.000 -0.133 0.000 3/36000 440.0 0.788 0.879 0.800 0.000 -0.130 0.000 3/36000 450.0 0.770 0.859 0.783 0.000 -0.127 0.000 3/36000 460.0 0.754 0.840 0.767 0.000 -0.124 0.000 3/36000 470.0 0.738 0.822 0.751 0.000 -0.122 0.000 3/36000 480.0 0.723 0.805 0.736 0.000 -0.119 0.000 3/36000 490.0 0.708 0.788 0.722 0.000 -0.117 0.000 3/36000 500.0 0.694 0.772 0.708 0.000 -0.115 0.000 3/36000 510.0 0.680 0.756 0.695 0.000 -0.112 0.000 3/36000 520.0 0.667 0.742 0.682 0.000 -0.110 0.000 3/36000 530.0 0.655 0.728 0.670 0.000 -0.108 0.000 3/36000 540.0 0.643 0.714 0.658 0.000 -0.106 0.000 3/36000 550.0 0.631 0.701 0.647 0.000 -0.105 0.000 3/36000 560.0 0.620 0.688 0.636 0.000 -0.103 0.000 3/36000 570.0 0.609 0.676 0.625 0.000 -0.101 0.000 3/36000 580.0 0.599 0.664 0.615 0.000 -0.099 0.000 3/36000 590.0 0.589 0.653 0.605 0.000 -0.098 0.000 3/36000 600.0 0.579 0.642 0.595 0.000 -0.096 0.000 3/36000 610.0 0.570 0.631 0.586 0.000 -0.095 0.000 3/36000 620.0 0.561 0.621 0.577 0.000 -0.093 0.000 3/36000 630.0 0.552 0.611 0.568 0.000 -0.092 0.000 3/36000 640.0 0.543 0.601 0.559 0.000 -0.090 0.000 3/36000 650.0 0.535 0.592 0.551 0.000 -0.089 0.000 3/36000 660.0 0.527 0.583 0.543 0.000 -0.088 0.000 3/36000 670.0 0.519 0.574 0.535 0.000 -0.086 0.000 3/36000 680.0 0.512 0.566 0.528 0.000 -0.085 0.000 3/36000 690.0 0.504 0.558 0.520 0.000 -0.084 0.000 3/36000 700.0 0.497 0.550 0.513 0.000 -0.083 0.000 3/36000 710.0 0.490 0.542 0.506 0.000 -0.082 0.000 3/36000 720.0 0.484 0.534 0.499 0.000 -0.081 0.000 3/36000 730.0 0.477 0.527 0.493 0.000 -0.080 0.000 3/36000 740.0 0.471 0.520 0.486 0.000 -0.079 0.000 3/36000 750.0 0.464 0.513 0.480 0.000 -0.078 0.000 3/36000 760.0 0.458 0.506 0.474 0.000 -0.077 0.000 3/36000 770.0 0.453 0.500 0.468 0.000 -0.076 0.000 3/36000 780.0 0.447 0.493 0.462 0.000 -0.075 0.000 3/36000 790.0 0.441 0.487 0.456 0.000 -0.074 0.000 3/36000 800.0 0.436 0.481 0.451 0.000 -0.073 0.000 3/36000 810.0 0.430 0.475 0.445 0.000 -0.072 0.000 3/36000 820.0 0.425 0.469 0.440 0.000 -0.071 0.000 3/36000 830.0 0.420 0.463 0.435 0.000 -0.070 0.000 3/36000 840.0 0.415 0.458 0.430 0.000 -0.069 0.000 3/36000 850.0 0.410 0.453 0.425 0.000 -0.069 0.000 3/36000 860.0 0.406 0.447 0.420 0.000 -0.068 0.000 3/36000 870.0 0.401 0.442 0.416 0.000 -0.067 0.000 3/36000 880.0 0.396 0.437 0.411 0.000 -0.066 0.000 3/36000 890.0 0.392 0.432 0.406 0.000 -0.066 0.000 3/36000 900.0 0.388 0.427 0.402 0.000 -0.065 0.000 3/36000 910.0 0.383 0.423 0.398 0.000 -0.064 0.000 3/36000 920.0 0.379 0.418 0.394 0.000 -0.064 0.000 3/36000 930.0 0.375 0.414 0.389 0.000 -0.063 0.000 3/36000 940.0 0.371 0.409 0.385 0.000 -0.062 0.000 3/36000 950.0 0.367 0.405 0.381 0.000 -0.062 0.000 3/36000 960.0 0.364 0.401 0.378 0.000 -0.061 0.000 3/36000 970.0 0.360 0.397 0.374 0.000 -0.060 0.000 3/36000 980.0 0.356 0.393 0.370 0.000 -0.060 0.000 3/36000 990.0 0.353 0.389 0.366 0.000 -0.059 0.000 3/36000 1000.0 0.349 0.385 0.363 0.000 -0.059 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m1085.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:44:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|