----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:19:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.785164860442194 0.000000000000000 0.000000000000000 b -4.892582430221097 8.474201349361751 0.000000000000000 c 0.000000000000000 0.000000000000000 7.189880870000000 Atomic positions (fractional): *1 O 0.32845071665355 0.47984100991140 0.73846470146513 15.999 *2 O 0.72047403558657 0.10119501730360 0.56849148468956 15.999 3 O 0.38072098171702 0.27952596441343 0.56849148468956 15.999 4 O 0.89880498269640 0.61927901828298 0.56849148468956 15.999 5 O 0.27952596441343 0.89880498269640 0.43150851531044 15.999 6 O 0.61927901828298 0.72047403558657 0.43150851531044 15.999 7 O 0.10119501730360 0.38072098171702 0.43150851531044 15.999 *8 O 0.75585184156008 0.06619873733994 0.90723186570932 15.999 9 O 0.31034689577986 0.24414815843992 0.90723186570932 15.999 10 O 0.93380126266006 0.68965310422014 0.90723186570932 15.999 11 O 0.06619873733994 0.31034689577986 0.09276813429068 15.999 *12 O 0.53492160627770 0.11375866324274 0.79410858918362 15.999 13 O 0.57883705696503 0.46507839372230 0.79410858918362 15.999 14 O 0.88624133675726 0.42116294303496 0.79410858918362 15.999 15 O 0.46507839372230 0.88624133675726 0.20589141081639 15.999 16 O 0.42116294303496 0.53492160627770 0.20589141081639 15.999 17 O 0.84860970674215 0.32845071665355 0.26153529853487 15.999 18 O 0.67154928334645 0.52015899008860 0.26153529853487 15.999 19 O 0.47984100991140 0.15139029325785 0.26153529853487 15.999 20 O 0.15139029325785 0.67154928334645 0.73846470146513 15.999 21 O 0.68965310422014 0.75585184156008 0.09276813429068 15.999 22 O 0.52015899008860 0.84860970674215 0.73846470146513 15.999 23 O 0.11375866324274 0.57883705696503 0.20589141081639 15.999 24 O 0.24414815843992 0.93380126266006 0.09276813429068 15.999 *25 P 0.39852991548148 0.36880307763233 0.75305140501027 30.974 26 P 0.97027316215086 0.60147008451852 0.75305140501027 30.974 27 P 0.36880307763233 0.97027316215086 0.24694859498973 30.974 28 P 0.63119692236767 0.02972683784914 0.75305140501027 30.974 29 P 0.02972683784914 0.39852991548148 0.24694859498973 30.974 30 P 0.60147008451852 0.63119692236767 0.24694859498973 30.974 *31 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 *32 Sr 0.24436592561629 0.98718441054807 0.74123193739777 87.620 33 Sr 0.01281558945193 0.25718151506822 0.74123193739777 87.620 34 Sr 0.74281848493178 0.75563407438371 0.74123193739777 87.620 35 Sr 0.98718441054807 0.74281848493178 0.25876806260223 87.620 36 Sr 0.75563407438371 0.01281558945193 0.25876806260223 87.620 37 Sr 0.25718151506822 0.24436592561629 0.25876806260223 87.620 *38 Sr 0.33333333333333 0.66666666666667 0.48032414157211 87.620 39 Sr 0.66666666666667 0.33333333333333 0.51967585842789 87.620 *40 Sr 0.33333333333333 0.66666666666667 0.97857481276310 87.620 41 Sr 0.66666666666667 0.33333333333333 0.02142518723690 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.785164860442194 0.000000000000000 0.000000000000000 b -4.892582430221097 8.474201349361751 0.000000000000000 c 0.000000000000000 0.000000000000000 7.189880870000000 Atomic positions (fractional): *1 O 0.32845071665355 0.47984100991140 0.73846470146513 15.999 > 1 *2 O 0.72047403558657 0.10119501730360 0.56849148468956 15.999 > 2 3 O 0.38072098171702 0.27952596441343 0.56849148468956 15.999 > 3 4 O 0.89880498269640 0.61927901828298 0.56849148468956 15.999 > 4 5 O 0.27952596441343 0.89880498269640 0.43150851531044 15.999 > 5 6 O 0.61927901828298 0.72047403558657 0.43150851531044 15.999 > 6 7 O 0.10119501730360 0.38072098171702 0.43150851531044 15.999 > 7 *8 O 0.75585184156008 0.06619873733994 0.90723186570932 15.999 > 8 9 O 0.31034689577986 0.24414815843992 0.90723186570932 15.999 > 9 10 O 0.93380126266006 0.68965310422014 0.90723186570932 15.999 > 10 11 O 0.06619873733994 0.31034689577986 0.09276813429068 15.999 > 11 *12 O 0.53492160627770 0.11375866324274 0.79410858918362 15.999 > 12 13 O 0.57883705696503 0.46507839372230 0.79410858918362 15.999 > 13 14 O 0.88624133675726 0.42116294303496 0.79410858918362 15.999 > 14 15 O 0.46507839372230 0.88624133675726 0.20589141081639 15.999 > 15 16 O 0.42116294303496 0.53492160627770 0.20589141081639 15.999 > 16 17 O 0.84860970674215 0.32845071665355 0.26153529853487 15.999 > 17 18 O 0.67154928334645 0.52015899008860 0.26153529853487 15.999 > 18 19 O 0.47984100991140 0.15139029325785 0.26153529853487 15.999 > 19 20 O 0.15139029325785 0.67154928334645 0.73846470146513 15.999 > 20 21 O 0.68965310422014 0.75585184156008 0.09276813429068 15.999 > 21 22 O 0.52015899008860 0.84860970674215 0.73846470146513 15.999 > 22 23 O 0.11375866324274 0.57883705696503 0.20589141081639 15.999 > 23 24 O 0.24414815843992 0.93380126266006 0.09276813429068 15.999 > 24 *25 P 0.39852991548148 0.36880307763233 0.75305140501027 30.974 > 25 26 P 0.97027316215086 0.60147008451852 0.75305140501027 30.974 > 26 27 P 0.36880307763233 0.97027316215086 0.24694859498973 30.974 > 27 28 P 0.63119692236767 0.02972683784914 0.75305140501027 30.974 > 28 29 P 0.02972683784914 0.39852991548148 0.24694859498973 30.974 > 29 30 P 0.60147008451852 0.63119692236767 0.24694859498973 30.974 > 30 *31 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 31 *32 Sr 0.24436592561629 0.98718441054807 0.74123193739777 87.620 > 32 33 Sr 0.01281558945193 0.25718151506822 0.74123193739777 87.620 > 33 34 Sr 0.74281848493178 0.75563407438371 0.74123193739777 87.620 > 34 35 Sr 0.98718441054807 0.74281848493178 0.25876806260223 87.620 > 35 36 Sr 0.75563407438371 0.01281558945193 0.25876806260223 87.620 > 36 37 Sr 0.25718151506822 0.24436592561629 0.25876806260223 87.620 > 37 *38 Sr 0.33333333333333 0.66666666666667 0.48032414157211 87.620 > 38 39 Sr 0.66666666666667 0.33333333333333 0.51967585842789 87.620 > 39 *40 Sr 0.33333333333333 0.66666666666667 0.97857481276310 87.620 > 40 41 Sr 0.66666666666667 0.33333333333333 0.02142518723690 87.620 > 41 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.785164860442194 0.000000000000000 0.000000000000000 b -4.892582430221097 8.474201349361751 0.000000000000000 c 0.000000000000000 0.000000000000000 14.379761739999999 Atomic positions (fractional): *1 O 0.32845071665355 0.47984100991140 0.36923235073257 15.999 > 1 2 O 0.32845071665355 0.47984100991140 0.86923235073257 15.999 > 1 *3 O 0.72047403558657 0.10119501730360 0.28424574234478 15.999 > 2 4 O 0.72047403558657 0.10119501730360 0.78424574234478 15.999 > 2 5 O 0.38072098171702 0.27952596441343 0.28424574234478 15.999 > 3 6 O 0.38072098171702 0.27952596441343 0.78424574234478 15.999 > 3 7 O 0.89880498269640 0.61927901828298 0.28424574234478 15.999 > 4 8 O 0.89880498269640 0.61927901828298 0.78424574234478 15.999 > 4 9 O 0.27952596441343 0.89880498269640 0.21575425765522 15.999 > 5 10 O 0.27952596441343 0.89880498269640 0.71575425765522 15.999 > 5 11 O 0.61927901828298 0.72047403558657 0.21575425765522 15.999 > 6 12 O 0.61927901828298 0.72047403558657 0.71575425765522 15.999 > 6 13 O 0.10119501730360 0.38072098171702 0.21575425765522 15.999 > 7 14 O 0.10119501730360 0.38072098171702 0.71575425765522 15.999 > 7 *15 O 0.75585184156008 0.06619873733994 0.45361593285466 15.999 > 8 16 O 0.75585184156008 0.06619873733994 0.95361593285466 15.999 > 8 17 O 0.31034689577986 0.24414815843992 0.45361593285466 15.999 > 9 18 O 0.31034689577986 0.24414815843992 0.95361593285466 15.999 > 9 19 O 0.93380126266006 0.68965310422014 0.45361593285466 15.999 > 10 20 O 0.93380126266006 0.68965310422014 0.95361593285466 15.999 > 10 21 O 0.06619873733994 0.31034689577986 0.04638406714534 15.999 > 11 22 O 0.06619873733994 0.31034689577986 0.54638406714534 15.999 > 11 *23 O 0.53492160627770 0.11375866324274 0.39705429459181 15.999 > 12 24 O 0.53492160627770 0.11375866324274 0.89705429459181 15.999 > 12 25 O 0.57883705696503 0.46507839372230 0.39705429459181 15.999 > 13 26 O 0.57883705696503 0.46507839372230 0.89705429459181 15.999 > 13 27 O 0.88624133675726 0.42116294303496 0.39705429459181 15.999 > 14 28 O 0.88624133675726 0.42116294303496 0.89705429459181 15.999 > 14 29 O 0.46507839372230 0.88624133675726 0.10294570540819 15.999 > 15 30 O 0.46507839372230 0.88624133675726 0.60294570540819 15.999 > 15 31 O 0.42116294303496 0.53492160627770 0.10294570540819 15.999 > 16 32 O 0.42116294303496 0.53492160627770 0.60294570540819 15.999 > 16 33 O 0.84860970674215 0.32845071665355 0.13076764926743 15.999 > 17 34 O 0.84860970674215 0.32845071665355 0.63076764926743 15.999 > 17 35 O 0.67154928334645 0.52015899008860 0.13076764926743 15.999 > 18 36 O 0.67154928334645 0.52015899008860 0.63076764926743 15.999 > 18 37 O 0.47984100991140 0.15139029325785 0.13076764926743 15.999 > 19 38 O 0.47984100991140 0.15139029325785 0.63076764926743 15.999 > 19 39 O 0.15139029325785 0.67154928334645 0.36923235073257 15.999 > 20 40 O 0.15139029325785 0.67154928334645 0.86923235073257 15.999 > 20 41 O 0.68965310422014 0.75585184156008 0.04638406714534 15.999 > 21 42 O 0.68965310422014 0.75585184156008 0.54638406714534 15.999 > 21 43 O 0.52015899008860 0.84860970674215 0.36923235073257 15.999 > 22 44 O 0.52015899008860 0.84860970674215 0.86923235073257 15.999 > 22 45 O 0.11375866324274 0.57883705696503 0.10294570540819 15.999 > 23 46 O 0.11375866324274 0.57883705696503 0.60294570540819 15.999 > 23 47 O 0.24414815843992 0.93380126266006 0.04638406714534 15.999 > 24 48 O 0.24414815843992 0.93380126266006 0.54638406714534 15.999 > 24 *49 P 0.39852991548148 0.36880307763233 0.37652570250513 30.974 > 25 50 P 0.39852991548148 0.36880307763233 0.87652570250513 30.974 > 25 51 P 0.97027316215086 0.60147008451852 0.37652570250513 30.974 > 26 52 P 0.97027316215086 0.60147008451852 0.87652570250513 30.974 > 26 53 P 0.36880307763233 0.97027316215086 0.12347429749487 30.974 > 27 54 P 0.36880307763233 0.97027316215086 0.62347429749487 30.974 > 27 55 P 0.63119692236767 0.02972683784914 0.37652570250513 30.974 > 28 56 P 0.63119692236767 0.02972683784914 0.87652570250513 30.974 > 28 57 P 0.02972683784914 0.39852991548148 0.12347429749487 30.974 > 29 58 P 0.02972683784914 0.39852991548148 0.62347429749487 30.974 > 29 59 P 0.60147008451852 0.63119692236767 0.12347429749487 30.974 > 30 60 P 0.60147008451852 0.63119692236767 0.62347429749487 30.974 > 30 *61 S 0.00000000000000 0.00000000000000 0.25000000000000 32.065 > 31 62 S 0.00000000000000 0.00000000000000 0.75000000000000 32.065 > 31 *63 Sr 0.24436592561629 0.98718441054807 0.37061596869888 87.620 > 32 64 Sr 0.24436592561629 0.98718441054807 0.87061596869888 87.620 > 32 65 Sr 0.01281558945193 0.25718151506822 0.37061596869888 87.620 > 33 66 Sr 0.01281558945193 0.25718151506822 0.87061596869888 87.620 > 33 67 Sr 0.74281848493178 0.75563407438371 0.37061596869888 87.620 > 34 68 Sr 0.74281848493178 0.75563407438371 0.87061596869888 87.620 > 34 69 Sr 0.98718441054807 0.74281848493178 0.12938403130112 87.620 > 35 70 Sr 0.98718441054807 0.74281848493178 0.62938403130112 87.620 > 35 71 Sr 0.75563407438371 0.01281558945193 0.12938403130112 87.620 > 36 72 Sr 0.75563407438371 0.01281558945193 0.62938403130112 87.620 > 36 73 Sr 0.25718151506822 0.24436592561629 0.12938403130112 87.620 > 37 74 Sr 0.25718151506822 0.24436592561629 0.62938403130112 87.620 > 37 *75 Sr 0.33333333333333 0.66666666666667 0.24016207078606 87.620 > 38 76 Sr 0.33333333333333 0.66666666666667 0.74016207078606 87.620 > 38 77 Sr 0.66666666666667 0.33333333333333 0.25983792921394 87.620 > 39 78 Sr 0.66666666666667 0.33333333333333 0.75983792921394 87.620 > 39 *79 Sr 0.33333333333333 0.66666666666667 0.48928740638155 87.620 > 40 80 Sr 0.33333333333333 0.66666666666667 0.98928740638155 87.620 > 40 81 Sr 0.66666666666667 0.33333333333333 0.01071259361845 87.620 > 41 82 Sr 0.66666666666667 0.33333333333333 0.51071259361845 87.620 > 41 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0797676 0.0000027 0.0000000 -0.0000027 3.0797676 0.0000000 0.0000000 0.0000000 3.0490657 -------------------------- Born effective charges -------------------------- 1 O -2.1018682 0.6409150 -0.0475331 0.6285904 -1.9388334 -0.0089943 -0.0031463 -0.0166776 -1.3883400 2 O -1.6442470 -0.0109815 0.3731165 0.0300800 -1.5015782 0.2067693 0.3253090 0.2633755 -2.1223087 3 O -1.5455153 -0.0870828 -0.0074908 -0.0460213 -1.6003099 -0.4265130 0.0654353 -0.4134136 -2.1223087 4 O -1.5289755 0.0364720 -0.3656257 0.0775335 -1.6168497 0.2197437 -0.3907444 0.1500382 -2.1223087 5 O -1.6442470 -0.0109815 0.3731165 0.0300800 -1.5015782 0.2067693 0.3253090 0.2633755 -2.1223087 6 O -1.5455153 -0.0870828 -0.0074908 -0.0460213 -1.6003099 -0.4265130 0.0654353 -0.4134136 -2.1223087 7 O -1.5289755 0.0364720 -0.3656257 0.0775335 -1.6168497 0.2197437 -0.3907444 0.1500382 -2.1223087 8 O -1.7426177 -0.2086243 -0.3970086 -0.1686850 -1.3974388 -0.0653876 -0.3481812 -0.0378013 -2.0852889 9 O -1.3203538 -0.0751092 0.1418770 -0.0351699 -1.8197027 0.3765133 0.1413537 0.3204344 -2.0852889 10 O -1.6471132 0.2238245 0.2551316 0.2637638 -1.4929432 -0.3111257 0.2068275 -0.2826331 -2.0852889 11 O -1.6471132 0.2238245 0.2551316 0.2637638 -1.4929432 -0.3111257 0.2068275 -0.2826331 -2.0852889 12 O -2.2766218 0.3420748 0.1654974 0.3707541 -1.7253725 -0.1498640 0.1038103 -0.1836831 -1.3575851 13 O -2.1718488 -0.4312448 -0.2125347 -0.4025655 -1.8301455 -0.0683930 -0.2109794 0.0019391 -1.3575851 14 O -1.5545209 0.0461511 0.0470373 0.0748304 -2.4474734 0.2182569 0.1071690 0.1817439 -1.3575851 15 O -2.2766218 0.3420748 0.1654974 0.3707541 -1.7253725 -0.1498640 0.1038103 -0.1836831 -1.3575851 16 O -2.1718488 -0.4312448 -0.2125347 -0.4025655 -1.8301455 -0.0683930 -0.2109794 0.0019391 -1.3575851 17 O -2.5293040 -0.3818101 0.0159772 -0.3941348 -1.5113975 0.0456620 -0.0128701 0.0110636 -1.3883400 18 O -2.1018682 0.6409150 -0.0475331 0.6285904 -1.9388334 -0.0089943 -0.0031463 -0.0166776 -1.3883400 19 O -1.4298802 -0.2406179 0.0315558 -0.2529425 -2.6108214 -0.0366677 0.0160164 0.0056140 -1.3883400 20 O -2.5293040 -0.3818101 0.0159772 -0.3941348 -1.5113975 0.0456620 -0.0128701 0.0110636 -1.3883400 21 O -1.3203538 -0.0751092 0.1418770 -0.0351699 -1.8197027 0.3765133 0.1413537 0.3204344 -2.0852889 22 O -1.4298802 -0.2406179 0.0315558 -0.2529425 -2.6108214 -0.0366677 0.0160164 0.0056140 -1.3883400 23 O -1.5545209 0.0461511 0.0470373 0.0748304 -2.4474734 0.2182569 0.1071690 0.1817439 -1.3575851 24 O -1.7426177 -0.2086243 -0.3970086 -0.1686850 -1.3974388 -0.0653876 -0.3481812 -0.0378013 -2.0852889 25 P 3.4140630 -0.0103090 0.0308995 -0.1233923 3.2861725 0.1022528 -0.1348076 0.0743773 2.9959951 26 P 3.3760394 0.1453452 0.0731038 0.0322619 3.3241960 -0.0778861 0.1318164 0.0795581 2.9959951 27 P 3.2602508 0.0345888 -0.1040033 -0.0784945 3.4399847 -0.0243667 0.0029911 -0.1539354 2.9959951 28 P 3.2602508 0.0345888 -0.1040033 -0.0784945 3.4399847 -0.0243667 0.0029911 -0.1539354 2.9959951 29 P 3.3760394 0.1453452 0.0731038 0.0322619 3.3241960 -0.0778861 0.1318164 0.0795581 2.9959951 30 P 3.4140630 -0.0103090 0.0308995 -0.1233923 3.2861725 0.1022528 -0.1348076 0.0743773 2.9959951 31 S -1.8369378 0.0397369 -0.0000000 -0.0397369 -1.8369378 0.0000000 0.0000000 0.0000000 -1.9799526 32 Sr 2.3390139 0.0971559 0.3287258 0.0319914 2.5480477 0.0993854 0.2642375 0.1119473 2.5786680 33 Sr 2.5517117 0.0908097 -0.2504332 0.0256453 2.3353500 0.2349922 -0.2290679 0.1728628 2.5786680 34 Sr 2.4398669 -0.0902189 -0.0782926 -0.1553833 2.4471948 -0.3343776 -0.0351696 -0.2848100 2.5786680 35 Sr 2.5517117 0.0908097 -0.2504332 0.0256453 2.3353500 0.2349922 -0.2290679 0.1728628 2.5786680 36 Sr 2.3390139 0.0971559 0.3287258 0.0319914 2.5480477 0.0993854 0.2642375 0.1119473 2.5786680 37 Sr 2.4398669 -0.0902189 -0.0782926 -0.1553833 2.4471948 -0.3343776 -0.0351696 -0.2848100 2.5786680 38 Sr 2.5669913 -0.0576388 -0.0000000 0.0576388 2.5669913 0.0000000 0.0000000 0.0000000 2.3431391 39 Sr 2.5669913 -0.0576388 -0.0000000 0.0576388 2.5669913 0.0000000 0.0000000 0.0000000 2.3431391 40 Sr 2.4633981 -0.0835681 -0.0000000 0.0835681 2.4633981 0.0000000 0.0000000 0.0000000 2.7834159 41 Sr 2.4633981 -0.0835681 -0.0000000 0.0835681 2.4633981 0.0000000 0.0000000 0.0000000 2.7834159 ---------------------------------------------------------------------------- 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: 246/246 Permutation basis: 15252/15252 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2564 Number of blocks in projector: 1182 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 1154 Use submatrix version of eigh solver. (1) Block: 500 / 1154 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1154 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1154 / 1154 (1) 141 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 38 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 1104 Use submatrix version of eigh solver. (1) Block: 500 / 1104 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1104 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1104 / 1104 (1) 82 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 46 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 306 Use standard eigh solver. Tree of FC basis block matrices: - (2564, 2502), data: False |-- (306, 297), data: True |-- (1104, 1080), data: False |-- (1104, 46), data: (1104, 70) @ (70, 46) |-- (104, 82), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (1154, 1125), data: False |-- (1154, 38), data: (1154, 67) @ (67, 38) |-- (154, 141), data: True |-- (500, 475), data: False |-- (500, 19), data: (500, 44) @ (44, 19) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 19), data: (500, 48) @ (48, 19) |-- (250, 223), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 82 / 82 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 880 - Time: 0.609 Solver_block: 200 / 880 - Time: 0.487 Solver_block: 300 / 880 - Time: 0.474 Solver_block: 400 / 880 - Time: 0.463 Solver_block: 500 / 880 - Time: 0.659 Solver_block: 600 / 880 - Time: 1.049 Solver_block: 700 / 880 - Time: 0.489 Solver_block: 800 / 880 - Time: 0.482 Solver_block: 880 / 880 - Time: 0.406 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.488 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 246/246 Permutation basis: 15252/15252 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2564 Number of blocks in projector: 1182 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 1154 Use submatrix version of eigh solver. (1) Block: 500 / 1154 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1154 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1154 / 1154 (1) 141 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 38 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 1104 Use submatrix version of eigh solver. (1) Block: 500 / 1104 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1104 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1104 / 1104 (1) 82 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 46 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 306 Use standard eigh solver. Tree of FC basis block matrices: - (2564, 2502), data: False |-- (306, 297), data: True |-- (1104, 1080), data: False |-- (1104, 46), data: (1104, 70) @ (70, 46) |-- (104, 82), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (1154, 1125), data: False |-- (1154, 38), data: (1154, 67) @ (67, 38) |-- (154, 141), data: True |-- (500, 475), data: False |-- (500, 19), data: (500, 44) @ (44, 19) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 19), data: (500, 48) @ (48, 19) |-- (250, 223), data: True |-- (250, 229), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:20:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:20:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.785164860442194 0.000000000000000 0.000000000000000 b -4.892582430221097 8.474201349361751 0.000000000000000 c 0.000000000000000 0.000000000000000 7.189880870000000 Atomic positions (fractional): 1 O 0.32845071665355 0.47984100991140 0.73846470146513 15.999 2 O 0.72047403558657 0.10119501730360 0.56849148468956 15.999 3 O 0.38072098171702 0.27952596441343 0.56849148468956 15.999 4 O 0.89880498269640 0.61927901828298 0.56849148468956 15.999 5 O 0.27952596441343 0.89880498269640 0.43150851531044 15.999 6 O 0.61927901828298 0.72047403558657 0.43150851531044 15.999 7 O 0.10119501730360 0.38072098171702 0.43150851531044 15.999 8 O 0.75585184156008 0.06619873733994 0.90723186570932 15.999 9 O 0.31034689577986 0.24414815843992 0.90723186570932 15.999 10 O 0.93380126266006 0.68965310422014 0.90723186570932 15.999 11 O 0.06619873733994 0.31034689577986 0.09276813429068 15.999 12 O 0.53492160627770 0.11375866324274 0.79410858918362 15.999 13 O 0.57883705696503 0.46507839372230 0.79410858918362 15.999 14 O 0.88624133675726 0.42116294303496 0.79410858918362 15.999 15 O 0.46507839372230 0.88624133675726 0.20589141081639 15.999 16 O 0.42116294303496 0.53492160627770 0.20589141081639 15.999 17 O 0.84860970674215 0.32845071665355 0.26153529853487 15.999 18 O 0.67154928334645 0.52015899008860 0.26153529853487 15.999 19 O 0.47984100991140 0.15139029325785 0.26153529853487 15.999 20 O 0.15139029325785 0.67154928334645 0.73846470146513 15.999 21 O 0.68965310422014 0.75585184156008 0.09276813429068 15.999 22 O 0.52015899008860 0.84860970674215 0.73846470146513 15.999 23 O 0.11375866324274 0.57883705696503 0.20589141081639 15.999 24 O 0.24414815843992 0.93380126266006 0.09276813429068 15.999 25 P 0.39852991548148 0.36880307763233 0.75305140501027 30.974 26 P 0.97027316215086 0.60147008451852 0.75305140501027 30.974 27 P 0.36880307763233 0.97027316215086 0.24694859498973 30.974 28 P 0.63119692236767 0.02972683784914 0.75305140501027 30.974 29 P 0.02972683784914 0.39852991548148 0.24694859498973 30.974 30 P 0.60147008451852 0.63119692236767 0.24694859498973 30.974 31 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 32 Sr 0.24436592561629 0.98718441054807 0.74123193739777 87.620 33 Sr 0.01281558945193 0.25718151506822 0.74123193739777 87.620 34 Sr 0.74281848493178 0.75563407438371 0.74123193739777 87.620 35 Sr 0.98718441054807 0.74281848493178 0.25876806260223 87.620 36 Sr 0.75563407438371 0.01281558945193 0.25876806260223 87.620 37 Sr 0.25718151506822 0.24436592561629 0.25876806260223 87.620 38 Sr 0.33333333333333 0.66666666666667 0.48032414157211 87.620 39 Sr 0.66666666666667 0.33333333333333 0.51967585842789 87.620 40 Sr 0.33333333333333 0.66666666666667 0.97857481276310 87.620 41 Sr 0.66666666666667 0.33333333333333 0.02142518723690 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.785164860442194 0.000000000000000 0.000000000000000 b -4.892582430221097 8.474201349361751 0.000000000000000 c 0.000000000000000 0.000000000000000 14.379761739999999 Atomic positions (fractional): 1 O 0.32845071665355 0.47984100991140 0.36923235073257 15.999 > 1 2 O 0.32845071665355 0.47984100991140 0.86923235073257 15.999 > 1 3 O 0.72047403558657 0.10119501730360 0.28424574234478 15.999 > 3 4 O 0.72047403558657 0.10119501730360 0.78424574234478 15.999 > 3 5 O 0.38072098171702 0.27952596441343 0.28424574234478 15.999 > 5 6 O 0.38072098171702 0.27952596441343 0.78424574234478 15.999 > 5 7 O 0.89880498269640 0.61927901828298 0.28424574234478 15.999 > 7 8 O 0.89880498269640 0.61927901828298 0.78424574234478 15.999 > 7 9 O 0.27952596441343 0.89880498269640 0.21575425765522 15.999 > 9 10 O 0.27952596441343 0.89880498269640 0.71575425765522 15.999 > 9 11 O 0.61927901828298 0.72047403558657 0.21575425765522 15.999 > 11 12 O 0.61927901828298 0.72047403558657 0.71575425765522 15.999 > 11 13 O 0.10119501730360 0.38072098171702 0.21575425765522 15.999 > 13 14 O 0.10119501730360 0.38072098171702 0.71575425765522 15.999 > 13 15 O 0.75585184156008 0.06619873733994 0.45361593285466 15.999 > 15 16 O 0.75585184156008 0.06619873733994 0.95361593285466 15.999 > 15 17 O 0.31034689577986 0.24414815843992 0.45361593285466 15.999 > 17 18 O 0.31034689577986 0.24414815843992 0.95361593285466 15.999 > 17 19 O 0.93380126266006 0.68965310422014 0.45361593285466 15.999 > 19 20 O 0.93380126266006 0.68965310422014 0.95361593285466 15.999 > 19 21 O 0.06619873733994 0.31034689577986 0.04638406714534 15.999 > 21 22 O 0.06619873733994 0.31034689577986 0.54638406714534 15.999 > 21 23 O 0.53492160627770 0.11375866324274 0.39705429459181 15.999 > 23 24 O 0.53492160627770 0.11375866324274 0.89705429459181 15.999 > 23 25 O 0.57883705696503 0.46507839372230 0.39705429459181 15.999 > 25 26 O 0.57883705696503 0.46507839372230 0.89705429459181 15.999 > 25 27 O 0.88624133675726 0.42116294303496 0.39705429459181 15.999 > 27 28 O 0.88624133675726 0.42116294303496 0.89705429459181 15.999 > 27 29 O 0.46507839372230 0.88624133675726 0.10294570540819 15.999 > 29 30 O 0.46507839372230 0.88624133675726 0.60294570540819 15.999 > 29 31 O 0.42116294303496 0.53492160627770 0.10294570540819 15.999 > 31 32 O 0.42116294303496 0.53492160627770 0.60294570540819 15.999 > 31 33 O 0.84860970674215 0.32845071665355 0.13076764926743 15.999 > 33 34 O 0.84860970674215 0.32845071665355 0.63076764926743 15.999 > 33 35 O 0.67154928334645 0.52015899008860 0.13076764926743 15.999 > 35 36 O 0.67154928334645 0.52015899008860 0.63076764926743 15.999 > 35 37 O 0.47984100991140 0.15139029325785 0.13076764926743 15.999 > 37 38 O 0.47984100991140 0.15139029325785 0.63076764926743 15.999 > 37 39 O 0.15139029325785 0.67154928334645 0.36923235073257 15.999 > 39 40 O 0.15139029325785 0.67154928334645 0.86923235073257 15.999 > 39 41 O 0.68965310422014 0.75585184156008 0.04638406714534 15.999 > 41 42 O 0.68965310422014 0.75585184156008 0.54638406714534 15.999 > 41 43 O 0.52015899008860 0.84860970674215 0.36923235073257 15.999 > 43 44 O 0.52015899008860 0.84860970674215 0.86923235073257 15.999 > 43 45 O 0.11375866324274 0.57883705696503 0.10294570540819 15.999 > 45 46 O 0.11375866324274 0.57883705696503 0.60294570540819 15.999 > 45 47 O 0.24414815843992 0.93380126266006 0.04638406714534 15.999 > 47 48 O 0.24414815843992 0.93380126266006 0.54638406714534 15.999 > 47 49 P 0.39852991548148 0.36880307763233 0.37652570250513 30.974 > 49 50 P 0.39852991548148 0.36880307763233 0.87652570250513 30.974 > 49 51 P 0.97027316215086 0.60147008451852 0.37652570250513 30.974 > 51 52 P 0.97027316215086 0.60147008451852 0.87652570250513 30.974 > 51 53 P 0.36880307763233 0.97027316215086 0.12347429749487 30.974 > 53 54 P 0.36880307763233 0.97027316215086 0.62347429749487 30.974 > 53 55 P 0.63119692236767 0.02972683784914 0.37652570250513 30.974 > 55 56 P 0.63119692236767 0.02972683784914 0.87652570250513 30.974 > 55 57 P 0.02972683784914 0.39852991548148 0.12347429749487 30.974 > 57 58 P 0.02972683784914 0.39852991548148 0.62347429749487 30.974 > 57 59 P 0.60147008451852 0.63119692236767 0.12347429749487 30.974 > 59 60 P 0.60147008451852 0.63119692236767 0.62347429749487 30.974 > 59 61 S 0.00000000000000 0.00000000000000 0.25000000000000 32.065 > 61 62 S 0.00000000000000 0.00000000000000 0.75000000000000 32.065 > 61 63 Sr 0.24436592561629 0.98718441054807 0.37061596869888 87.620 > 63 64 Sr 0.24436592561629 0.98718441054807 0.87061596869888 87.620 > 63 65 Sr 0.01281558945193 0.25718151506822 0.37061596869888 87.620 > 65 66 Sr 0.01281558945193 0.25718151506822 0.87061596869888 87.620 > 65 67 Sr 0.74281848493178 0.75563407438371 0.37061596869888 87.620 > 67 68 Sr 0.74281848493178 0.75563407438371 0.87061596869888 87.620 > 67 69 Sr 0.98718441054807 0.74281848493178 0.12938403130112 87.620 > 69 70 Sr 0.98718441054807 0.74281848493178 0.62938403130112 87.620 > 69 71 Sr 0.75563407438371 0.01281558945193 0.12938403130112 87.620 > 71 72 Sr 0.75563407438371 0.01281558945193 0.62938403130112 87.620 > 71 73 Sr 0.25718151506822 0.24436592561629 0.12938403130112 87.620 > 73 74 Sr 0.25718151506822 0.24436592561629 0.62938403130112 87.620 > 73 75 Sr 0.33333333333333 0.66666666666667 0.24016207078606 87.620 > 75 76 Sr 0.33333333333333 0.66666666666667 0.74016207078606 87.620 > 75 77 Sr 0.66666666666667 0.33333333333333 0.25983792921394 87.620 > 77 78 Sr 0.66666666666667 0.33333333333333 0.75983792921394 87.620 > 77 79 Sr 0.33333333333333 0.66666666666667 0.48928740638155 87.620 > 79 80 Sr 0.33333333333333 0.66666666666667 0.98928740638155 87.620 > 79 81 Sr 0.66666666666667 0.33333333333333 0.01071259361845 87.620 > 81 82 Sr 0.66666666666667 0.33333333333333 0.51071259361845 87.620 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0797676 0.0000027 0.0000000 -0.0000027 3.0797676 0.0000000 0.0000000 0.0000000 3.0490657 -------------------------- Born effective charges -------------------------- 1 O -2.1018682 0.6409150 -0.0475331 0.6285904 -1.9388334 -0.0089943 -0.0031463 -0.0166776 -1.3883400 2 O -1.6442470 -0.0109815 0.3731165 0.0300800 -1.5015782 0.2067693 0.3253090 0.2633755 -2.1223087 3 O -1.5455153 -0.0870828 -0.0074908 -0.0460213 -1.6003099 -0.4265130 0.0654353 -0.4134136 -2.1223087 4 O -1.5289755 0.0364720 -0.3656257 0.0775335 -1.6168497 0.2197437 -0.3907444 0.1500382 -2.1223087 5 O -1.6442470 -0.0109815 0.3731165 0.0300800 -1.5015782 0.2067693 0.3253090 0.2633755 -2.1223087 6 O -1.5455153 -0.0870828 -0.0074908 -0.0460213 -1.6003099 -0.4265130 0.0654353 -0.4134136 -2.1223087 7 O -1.5289755 0.0364720 -0.3656257 0.0775335 -1.6168497 0.2197437 -0.3907444 0.1500382 -2.1223087 8 O -1.7426177 -0.2086243 -0.3970086 -0.1686850 -1.3974388 -0.0653876 -0.3481812 -0.0378013 -2.0852889 9 O -1.3203538 -0.0751092 0.1418770 -0.0351699 -1.8197027 0.3765133 0.1413537 0.3204344 -2.0852889 10 O -1.6471132 0.2238245 0.2551316 0.2637638 -1.4929432 -0.3111257 0.2068275 -0.2826331 -2.0852889 11 O -1.6471132 0.2238245 0.2551316 0.2637638 -1.4929432 -0.3111257 0.2068275 -0.2826331 -2.0852889 12 O -2.2766218 0.3420748 0.1654974 0.3707541 -1.7253725 -0.1498640 0.1038103 -0.1836831 -1.3575851 13 O -2.1718488 -0.4312448 -0.2125347 -0.4025655 -1.8301455 -0.0683930 -0.2109794 0.0019391 -1.3575851 14 O -1.5545209 0.0461511 0.0470373 0.0748304 -2.4474734 0.2182569 0.1071690 0.1817439 -1.3575851 15 O -2.2766218 0.3420748 0.1654974 0.3707541 -1.7253725 -0.1498640 0.1038103 -0.1836831 -1.3575851 16 O -2.1718488 -0.4312448 -0.2125347 -0.4025655 -1.8301455 -0.0683930 -0.2109794 0.0019391 -1.3575851 17 O -2.5293040 -0.3818101 0.0159772 -0.3941348 -1.5113975 0.0456620 -0.0128701 0.0110636 -1.3883400 18 O -2.1018682 0.6409150 -0.0475331 0.6285904 -1.9388334 -0.0089943 -0.0031463 -0.0166776 -1.3883400 19 O -1.4298802 -0.2406179 0.0315558 -0.2529425 -2.6108214 -0.0366677 0.0160164 0.0056140 -1.3883400 20 O -2.5293040 -0.3818101 0.0159772 -0.3941348 -1.5113975 0.0456620 -0.0128701 0.0110636 -1.3883400 21 O -1.3203538 -0.0751092 0.1418770 -0.0351699 -1.8197027 0.3765133 0.1413537 0.3204344 -2.0852889 22 O -1.4298802 -0.2406179 0.0315558 -0.2529425 -2.6108214 -0.0366677 0.0160164 0.0056140 -1.3883400 23 O -1.5545209 0.0461511 0.0470373 0.0748304 -2.4474734 0.2182569 0.1071690 0.1817439 -1.3575851 24 O -1.7426177 -0.2086243 -0.3970086 -0.1686850 -1.3974388 -0.0653876 -0.3481812 -0.0378013 -2.0852889 25 P 3.4140630 -0.0103090 0.0308995 -0.1233923 3.2861725 0.1022528 -0.1348076 0.0743773 2.9959951 26 P 3.3760394 0.1453452 0.0731038 0.0322619 3.3241960 -0.0778861 0.1318164 0.0795581 2.9959951 27 P 3.2602508 0.0345888 -0.1040033 -0.0784945 3.4399847 -0.0243667 0.0029911 -0.1539354 2.9959951 28 P 3.2602508 0.0345888 -0.1040033 -0.0784945 3.4399847 -0.0243667 0.0029911 -0.1539354 2.9959951 29 P 3.3760394 0.1453452 0.0731038 0.0322619 3.3241960 -0.0778861 0.1318164 0.0795581 2.9959951 30 P 3.4140630 -0.0103090 0.0308995 -0.1233923 3.2861725 0.1022528 -0.1348076 0.0743773 2.9959951 31 S -1.8369378 0.0397369 -0.0000000 -0.0397369 -1.8369378 0.0000000 0.0000000 0.0000000 -1.9799526 32 Sr 2.3390139 0.0971559 0.3287258 0.0319914 2.5480477 0.0993854 0.2642375 0.1119473 2.5786680 33 Sr 2.5517117 0.0908097 -0.2504332 0.0256453 2.3353500 0.2349922 -0.2290679 0.1728628 2.5786680 34 Sr 2.4398669 -0.0902189 -0.0782926 -0.1553833 2.4471948 -0.3343776 -0.0351696 -0.2848100 2.5786680 35 Sr 2.5517117 0.0908097 -0.2504332 0.0256453 2.3353500 0.2349922 -0.2290679 0.1728628 2.5786680 36 Sr 2.3390139 0.0971559 0.3287258 0.0319914 2.5480477 0.0993854 0.2642375 0.1119473 2.5786680 37 Sr 2.4398669 -0.0902189 -0.0782926 -0.1553833 2.4471948 -0.3343776 -0.0351696 -0.2848100 2.5786680 38 Sr 2.5669913 -0.0576388 -0.0000000 0.0576388 2.5669913 0.0000000 0.0000000 0.0000000 2.3431391 39 Sr 2.5669913 -0.0576388 -0.0000000 0.0576388 2.5669913 0.0000000 0.0000000 0.0000000 2.3431391 40 Sr 2.4633981 -0.0835681 -0.0000000 0.0835681 2.4633981 0.0000000 0.0000000 0.0000000 2.7834159 41 Sr 2.4633981 -0.0835681 -0.0000000 0.0835681 2.4633981 0.0000000 0.0000000 0.0000000 2.7834159 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 15, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 23, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000007 (xxx) -0.00000007 (xxx) -0.00000007 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:20:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:20:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.785164860442194 0.000000000000000 0.000000000000000 b -4.892582430221097 8.474201349361751 0.000000000000000 c 0.000000000000000 0.000000000000000 7.189880870000000 Atomic positions (fractional): 1 O 0.32845071665355 0.47984100991140 0.73846470146513 15.999 2 O 0.72047403558657 0.10119501730360 0.56849148468956 15.999 3 O 0.38072098171702 0.27952596441343 0.56849148468956 15.999 4 O 0.89880498269640 0.61927901828298 0.56849148468956 15.999 5 O 0.27952596441343 0.89880498269640 0.43150851531044 15.999 6 O 0.61927901828298 0.72047403558657 0.43150851531044 15.999 7 O 0.10119501730360 0.38072098171702 0.43150851531044 15.999 8 O 0.75585184156008 0.06619873733994 0.90723186570932 15.999 9 O 0.31034689577986 0.24414815843992 0.90723186570932 15.999 10 O 0.93380126266006 0.68965310422014 0.90723186570932 15.999 11 O 0.06619873733994 0.31034689577986 0.09276813429068 15.999 12 O 0.53492160627770 0.11375866324274 0.79410858918362 15.999 13 O 0.57883705696503 0.46507839372230 0.79410858918362 15.999 14 O 0.88624133675726 0.42116294303496 0.79410858918362 15.999 15 O 0.46507839372230 0.88624133675726 0.20589141081639 15.999 16 O 0.42116294303496 0.53492160627770 0.20589141081639 15.999 17 O 0.84860970674215 0.32845071665355 0.26153529853487 15.999 18 O 0.67154928334645 0.52015899008860 0.26153529853487 15.999 19 O 0.47984100991140 0.15139029325785 0.26153529853487 15.999 20 O 0.15139029325785 0.67154928334645 0.73846470146513 15.999 21 O 0.68965310422014 0.75585184156008 0.09276813429068 15.999 22 O 0.52015899008860 0.84860970674215 0.73846470146513 15.999 23 O 0.11375866324274 0.57883705696503 0.20589141081639 15.999 24 O 0.24414815843992 0.93380126266006 0.09276813429068 15.999 25 P 0.39852991548148 0.36880307763233 0.75305140501027 30.974 26 P 0.97027316215086 0.60147008451852 0.75305140501027 30.974 27 P 0.36880307763233 0.97027316215086 0.24694859498973 30.974 28 P 0.63119692236767 0.02972683784914 0.75305140501027 30.974 29 P 0.02972683784914 0.39852991548148 0.24694859498973 30.974 30 P 0.60147008451852 0.63119692236767 0.24694859498973 30.974 31 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 32 Sr 0.24436592561629 0.98718441054807 0.74123193739777 87.620 33 Sr 0.01281558945193 0.25718151506822 0.74123193739777 87.620 34 Sr 0.74281848493178 0.75563407438371 0.74123193739777 87.620 35 Sr 0.98718441054807 0.74281848493178 0.25876806260223 87.620 36 Sr 0.75563407438371 0.01281558945193 0.25876806260223 87.620 37 Sr 0.25718151506822 0.24436592561629 0.25876806260223 87.620 38 Sr 0.33333333333333 0.66666666666667 0.48032414157211 87.620 39 Sr 0.66666666666667 0.33333333333333 0.51967585842789 87.620 40 Sr 0.33333333333333 0.66666666666667 0.97857481276310 87.620 41 Sr 0.66666666666667 0.33333333333333 0.02142518723690 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.785164860442194 0.000000000000000 0.000000000000000 b -4.892582430221097 8.474201349361751 0.000000000000000 c 0.000000000000000 0.000000000000000 14.379761739999999 Atomic positions (fractional): 1 O 0.32845071665355 0.47984100991140 0.36923235073257 15.999 > 1 2 O 0.32845071665355 0.47984100991140 0.86923235073257 15.999 > 1 3 O 0.72047403558657 0.10119501730360 0.28424574234478 15.999 > 3 4 O 0.72047403558657 0.10119501730360 0.78424574234478 15.999 > 3 5 O 0.38072098171702 0.27952596441343 0.28424574234478 15.999 > 5 6 O 0.38072098171702 0.27952596441343 0.78424574234478 15.999 > 5 7 O 0.89880498269640 0.61927901828298 0.28424574234478 15.999 > 7 8 O 0.89880498269640 0.61927901828298 0.78424574234478 15.999 > 7 9 O 0.27952596441343 0.89880498269640 0.21575425765522 15.999 > 9 10 O 0.27952596441343 0.89880498269640 0.71575425765522 15.999 > 9 11 O 0.61927901828298 0.72047403558657 0.21575425765522 15.999 > 11 12 O 0.61927901828298 0.72047403558657 0.71575425765522 15.999 > 11 13 O 0.10119501730360 0.38072098171702 0.21575425765522 15.999 > 13 14 O 0.10119501730360 0.38072098171702 0.71575425765522 15.999 > 13 15 O 0.75585184156008 0.06619873733994 0.45361593285466 15.999 > 15 16 O 0.75585184156008 0.06619873733994 0.95361593285466 15.999 > 15 17 O 0.31034689577986 0.24414815843992 0.45361593285466 15.999 > 17 18 O 0.31034689577986 0.24414815843992 0.95361593285466 15.999 > 17 19 O 0.93380126266006 0.68965310422014 0.45361593285466 15.999 > 19 20 O 0.93380126266006 0.68965310422014 0.95361593285466 15.999 > 19 21 O 0.06619873733994 0.31034689577986 0.04638406714534 15.999 > 21 22 O 0.06619873733994 0.31034689577986 0.54638406714534 15.999 > 21 23 O 0.53492160627770 0.11375866324274 0.39705429459181 15.999 > 23 24 O 0.53492160627770 0.11375866324274 0.89705429459181 15.999 > 23 25 O 0.57883705696503 0.46507839372230 0.39705429459181 15.999 > 25 26 O 0.57883705696503 0.46507839372230 0.89705429459181 15.999 > 25 27 O 0.88624133675726 0.42116294303496 0.39705429459181 15.999 > 27 28 O 0.88624133675726 0.42116294303496 0.89705429459181 15.999 > 27 29 O 0.46507839372230 0.88624133675726 0.10294570540819 15.999 > 29 30 O 0.46507839372230 0.88624133675726 0.60294570540819 15.999 > 29 31 O 0.42116294303496 0.53492160627770 0.10294570540819 15.999 > 31 32 O 0.42116294303496 0.53492160627770 0.60294570540819 15.999 > 31 33 O 0.84860970674215 0.32845071665355 0.13076764926743 15.999 > 33 34 O 0.84860970674215 0.32845071665355 0.63076764926743 15.999 > 33 35 O 0.67154928334645 0.52015899008860 0.13076764926743 15.999 > 35 36 O 0.67154928334645 0.52015899008860 0.63076764926743 15.999 > 35 37 O 0.47984100991140 0.15139029325785 0.13076764926743 15.999 > 37 38 O 0.47984100991140 0.15139029325785 0.63076764926743 15.999 > 37 39 O 0.15139029325785 0.67154928334645 0.36923235073257 15.999 > 39 40 O 0.15139029325785 0.67154928334645 0.86923235073257 15.999 > 39 41 O 0.68965310422014 0.75585184156008 0.04638406714534 15.999 > 41 42 O 0.68965310422014 0.75585184156008 0.54638406714534 15.999 > 41 43 O 0.52015899008860 0.84860970674215 0.36923235073257 15.999 > 43 44 O 0.52015899008860 0.84860970674215 0.86923235073257 15.999 > 43 45 O 0.11375866324274 0.57883705696503 0.10294570540819 15.999 > 45 46 O 0.11375866324274 0.57883705696503 0.60294570540819 15.999 > 45 47 O 0.24414815843992 0.93380126266006 0.04638406714534 15.999 > 47 48 O 0.24414815843992 0.93380126266006 0.54638406714534 15.999 > 47 49 P 0.39852991548148 0.36880307763233 0.37652570250513 30.974 > 49 50 P 0.39852991548148 0.36880307763233 0.87652570250513 30.974 > 49 51 P 0.97027316215086 0.60147008451852 0.37652570250513 30.974 > 51 52 P 0.97027316215086 0.60147008451852 0.87652570250513 30.974 > 51 53 P 0.36880307763233 0.97027316215086 0.12347429749487 30.974 > 53 54 P 0.36880307763233 0.97027316215086 0.62347429749487 30.974 > 53 55 P 0.63119692236767 0.02972683784914 0.37652570250513 30.974 > 55 56 P 0.63119692236767 0.02972683784914 0.87652570250513 30.974 > 55 57 P 0.02972683784914 0.39852991548148 0.12347429749487 30.974 > 57 58 P 0.02972683784914 0.39852991548148 0.62347429749487 30.974 > 57 59 P 0.60147008451852 0.63119692236767 0.12347429749487 30.974 > 59 60 P 0.60147008451852 0.63119692236767 0.62347429749487 30.974 > 59 61 S 0.00000000000000 0.00000000000000 0.25000000000000 32.065 > 61 62 S 0.00000000000000 0.00000000000000 0.75000000000000 32.065 > 61 63 Sr 0.24436592561629 0.98718441054807 0.37061596869888 87.620 > 63 64 Sr 0.24436592561629 0.98718441054807 0.87061596869888 87.620 > 63 65 Sr 0.01281558945193 0.25718151506822 0.37061596869888 87.620 > 65 66 Sr 0.01281558945193 0.25718151506822 0.87061596869888 87.620 > 65 67 Sr 0.74281848493178 0.75563407438371 0.37061596869888 87.620 > 67 68 Sr 0.74281848493178 0.75563407438371 0.87061596869888 87.620 > 67 69 Sr 0.98718441054807 0.74281848493178 0.12938403130112 87.620 > 69 70 Sr 0.98718441054807 0.74281848493178 0.62938403130112 87.620 > 69 71 Sr 0.75563407438371 0.01281558945193 0.12938403130112 87.620 > 71 72 Sr 0.75563407438371 0.01281558945193 0.62938403130112 87.620 > 71 73 Sr 0.25718151506822 0.24436592561629 0.12938403130112 87.620 > 73 74 Sr 0.25718151506822 0.24436592561629 0.62938403130112 87.620 > 73 75 Sr 0.33333333333333 0.66666666666667 0.24016207078606 87.620 > 75 76 Sr 0.33333333333333 0.66666666666667 0.74016207078606 87.620 > 75 77 Sr 0.66666666666667 0.33333333333333 0.25983792921394 87.620 > 77 78 Sr 0.66666666666667 0.33333333333333 0.75983792921394 87.620 > 77 79 Sr 0.33333333333333 0.66666666666667 0.48928740638155 87.620 > 79 80 Sr 0.33333333333333 0.66666666666667 0.98928740638155 87.620 > 79 81 Sr 0.66666666666667 0.33333333333333 0.01071259361845 87.620 > 81 82 Sr 0.66666666666667 0.33333333333333 0.51071259361845 87.620 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0797676 0.0000027 0.0000000 -0.0000027 3.0797676 0.0000000 0.0000000 0.0000000 3.0490657 -------------------------- Born effective charges -------------------------- 1 O -2.1018682 0.6409150 -0.0475331 0.6285904 -1.9388334 -0.0089943 -0.0031463 -0.0166776 -1.3883400 2 O -1.6442470 -0.0109815 0.3731165 0.0300800 -1.5015782 0.2067693 0.3253090 0.2633755 -2.1223087 3 O -1.5455153 -0.0870828 -0.0074908 -0.0460213 -1.6003099 -0.4265130 0.0654353 -0.4134136 -2.1223087 4 O -1.5289755 0.0364720 -0.3656257 0.0775335 -1.6168497 0.2197437 -0.3907444 0.1500382 -2.1223087 5 O -1.6442470 -0.0109815 0.3731165 0.0300800 -1.5015782 0.2067693 0.3253090 0.2633755 -2.1223087 6 O -1.5455153 -0.0870828 -0.0074908 -0.0460213 -1.6003099 -0.4265130 0.0654353 -0.4134136 -2.1223087 7 O -1.5289755 0.0364720 -0.3656257 0.0775335 -1.6168497 0.2197437 -0.3907444 0.1500382 -2.1223087 8 O -1.7426177 -0.2086243 -0.3970086 -0.1686850 -1.3974388 -0.0653876 -0.3481812 -0.0378013 -2.0852889 9 O -1.3203538 -0.0751092 0.1418770 -0.0351699 -1.8197027 0.3765133 0.1413537 0.3204344 -2.0852889 10 O -1.6471132 0.2238245 0.2551316 0.2637638 -1.4929432 -0.3111257 0.2068275 -0.2826331 -2.0852889 11 O -1.6471132 0.2238245 0.2551316 0.2637638 -1.4929432 -0.3111257 0.2068275 -0.2826331 -2.0852889 12 O -2.2766218 0.3420748 0.1654974 0.3707541 -1.7253725 -0.1498640 0.1038103 -0.1836831 -1.3575851 13 O -2.1718488 -0.4312448 -0.2125347 -0.4025655 -1.8301455 -0.0683930 -0.2109794 0.0019391 -1.3575851 14 O -1.5545209 0.0461511 0.0470373 0.0748304 -2.4474734 0.2182569 0.1071690 0.1817439 -1.3575851 15 O -2.2766218 0.3420748 0.1654974 0.3707541 -1.7253725 -0.1498640 0.1038103 -0.1836831 -1.3575851 16 O -2.1718488 -0.4312448 -0.2125347 -0.4025655 -1.8301455 -0.0683930 -0.2109794 0.0019391 -1.3575851 17 O -2.5293040 -0.3818101 0.0159772 -0.3941348 -1.5113975 0.0456620 -0.0128701 0.0110636 -1.3883400 18 O -2.1018682 0.6409150 -0.0475331 0.6285904 -1.9388334 -0.0089943 -0.0031463 -0.0166776 -1.3883400 19 O -1.4298802 -0.2406179 0.0315558 -0.2529425 -2.6108214 -0.0366677 0.0160164 0.0056140 -1.3883400 20 O -2.5293040 -0.3818101 0.0159772 -0.3941348 -1.5113975 0.0456620 -0.0128701 0.0110636 -1.3883400 21 O -1.3203538 -0.0751092 0.1418770 -0.0351699 -1.8197027 0.3765133 0.1413537 0.3204344 -2.0852889 22 O -1.4298802 -0.2406179 0.0315558 -0.2529425 -2.6108214 -0.0366677 0.0160164 0.0056140 -1.3883400 23 O -1.5545209 0.0461511 0.0470373 0.0748304 -2.4474734 0.2182569 0.1071690 0.1817439 -1.3575851 24 O -1.7426177 -0.2086243 -0.3970086 -0.1686850 -1.3974388 -0.0653876 -0.3481812 -0.0378013 -2.0852889 25 P 3.4140630 -0.0103090 0.0308995 -0.1233923 3.2861725 0.1022528 -0.1348076 0.0743773 2.9959951 26 P 3.3760394 0.1453452 0.0731038 0.0322619 3.3241960 -0.0778861 0.1318164 0.0795581 2.9959951 27 P 3.2602508 0.0345888 -0.1040033 -0.0784945 3.4399847 -0.0243667 0.0029911 -0.1539354 2.9959951 28 P 3.2602508 0.0345888 -0.1040033 -0.0784945 3.4399847 -0.0243667 0.0029911 -0.1539354 2.9959951 29 P 3.3760394 0.1453452 0.0731038 0.0322619 3.3241960 -0.0778861 0.1318164 0.0795581 2.9959951 30 P 3.4140630 -0.0103090 0.0308995 -0.1233923 3.2861725 0.1022528 -0.1348076 0.0743773 2.9959951 31 S -1.8369378 0.0397369 -0.0000000 -0.0397369 -1.8369378 0.0000000 0.0000000 0.0000000 -1.9799526 32 Sr 2.3390139 0.0971559 0.3287258 0.0319914 2.5480477 0.0993854 0.2642375 0.1119473 2.5786680 33 Sr 2.5517117 0.0908097 -0.2504332 0.0256453 2.3353500 0.2349922 -0.2290679 0.1728628 2.5786680 34 Sr 2.4398669 -0.0902189 -0.0782926 -0.1553833 2.4471948 -0.3343776 -0.0351696 -0.2848100 2.5786680 35 Sr 2.5517117 0.0908097 -0.2504332 0.0256453 2.3353500 0.2349922 -0.2290679 0.1728628 2.5786680 36 Sr 2.3390139 0.0971559 0.3287258 0.0319914 2.5480477 0.0993854 0.2642375 0.1119473 2.5786680 37 Sr 2.4398669 -0.0902189 -0.0782926 -0.1553833 2.4471948 -0.3343776 -0.0351696 -0.2848100 2.5786680 38 Sr 2.5669913 -0.0576388 -0.0000000 0.0576388 2.5669913 0.0000000 0.0000000 0.0000000 2.3431391 39 Sr 2.5669913 -0.0576388 -0.0000000 0.0576388 2.5669913 0.0000000 0.0000000 0.0000000 2.3431391 40 Sr 2.4633981 -0.0835681 -0.0000000 0.0835681 2.4633981 0.0000000 0.0000000 0.0000000 2.7834159 41 Sr 2.4633981 -0.0835681 -0.0000000 0.0835681 2.4633981 0.0000000 0.0000000 0.0000000 2.7834159 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (xxx) -0.00000007 (xxx) -0.00000007 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 295, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.067 ( 0.000 0.000 0.000) 0.000 1.067 ( 0.000 0.000 0.000) 0.000 1.448 ( 0.000 0.000 0.000) 0.000 1.448 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.269 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.688 ( 0.000 0.000 0.000) 0.000 3.688 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 6.877 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 7.246 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.585 ( 0.000 0.000 0.000) 0.000 11.980 ( 0.000 0.000 0.000) 0.000 12.109 ( 0.000 0.000 0.000) 0.000 12.109 ( 0.000 0.000 0.000) 0.000 12.130 ( 0.000 0.000 0.000) 0.000 12.130 ( 0.000 0.000 0.000) 0.000 12.571 ( 0.000 0.000 0.000) 0.000 12.577 ( 0.000 0.000 0.000) 0.000 12.577 ( 0.000 0.000 0.000) 0.000 12.795 ( 0.000 0.000 0.000) 0.000 12.795 ( 0.000 0.000 0.000) 0.000 12.877 ( 0.000 0.000 0.000) 0.000 13.324 ( 0.000 0.000 0.000) 0.000 15.810 ( 0.000 0.000 0.000) 0.000 15.810 ( 0.000 0.000 0.000) 0.000 15.830 ( 0.000 0.000 0.000) 0.000 16.243 ( 0.000 0.000 0.000) 0.000 16.243 ( 0.000 0.000 0.000) 0.000 16.312 ( 0.000 0.000 0.000) 0.000 16.312 ( 0.000 0.000 0.000) 0.000 16.372 ( 0.000 0.000 0.000) 0.000 16.538 ( 0.000 0.000 0.000) 0.000 16.547 ( 0.000 0.000 0.000) 0.000 16.547 ( 0.000 0.000 0.000) 0.000 16.714 ( 0.000 0.000 0.000) 0.000 16.800 ( 0.000 0.000 0.000) 0.000 16.800 ( 0.000 0.000 0.000) 0.000 17.049 ( 0.000 0.000 0.000) 0.000 17.062 ( 0.000 0.000 0.000) 0.000 17.062 ( 0.000 0.000 0.000) 0.000 17.087 ( 0.000 0.000 0.000) 0.000 27.166 ( 0.000 0.000 0.000) 0.000 27.230 ( 0.000 0.000 0.000) 0.000 27.230 ( 0.000 0.000 0.000) 0.000 27.242 ( 0.000 0.000 0.000) 0.000 27.252 ( 0.000 0.000 0.000) 0.000 27.252 ( 0.000 0.000 0.000) 0.000 29.377 ( 0.000 0.000 0.000) 0.000 29.377 ( 0.000 0.000 0.000) 0.000 29.464 ( 0.000 0.000 0.000) 0.000 29.464 ( 0.000 0.000 0.000) 0.000 29.496 ( 0.000 0.000 0.000) 0.000 29.764 ( 0.000 0.000 0.000) 0.000 29.764 ( 0.000 0.000 0.000) 0.000 29.795 ( 0.000 0.000 0.000) 0.000 29.892 ( 0.000 0.000 0.000) 0.000 30.164 ( 0.000 0.000 0.000) 0.000 30.164 ( 0.000 0.000 0.000) 0.000 30.325 ( 0.000 0.000 0.000) 0.000 30.325 ( 0.000 0.000 0.000) 0.000 30.464 ( 0.000 0.000 0.000) 0.000 30.780 ( 0.000 0.000 0.000) 0.000 30.854 ( 0.000 0.000 0.000) 0.000 30.854 ( 0.000 0.000 0.000) 0.000 32.210 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 25.108 9.386 -3.697) 27.059 0.572 ( 20.768 18.744 -3.697) 28.219 0.959 ( 34.851 18.274 6.138) 39.828 1.109 ( 6.396 1.271 -1.238) 6.638 1.222 ( 9.520 9.713 -0.607) 13.614 1.518 ( 9.023 3.346 -0.865) 9.662 1.828 ( 3.059 1.873 1.031) 3.732 2.472 ( -11.371 -5.376 0.369) 12.583 2.536 ( -5.335 -2.913 -1.801) 6.340 2.687 ( -0.954 -1.440 0.771) 1.892 2.762 ( -8.801 -7.132 -0.384) 11.334 2.819 ( -10.779 0.153 3.156) 11.233 2.902 ( 2.210 -7.528 -4.162) 8.881 2.965 ( -3.768 2.069 -1.839) 4.676 3.064 ( 1.240 -2.184 2.590) 3.608 3.097 ( 0.391 3.411 0.060) 3.434 3.264 ( -1.364 -0.785 0.905) 1.815 3.285 ( -0.829 -1.102 -0.429) 1.444 3.325 ( 0.215 -1.688 -0.941) 1.944 3.417 ( 1.291 7.381 2.146) 7.794 3.468 ( 2.584 0.315 -0.369) 2.629 3.506 ( 4.127 -1.945 2.997) 5.459 3.573 ( 5.012 4.099 -3.647) 7.431 3.724 ( 2.893 1.422 1.609) 3.603 3.743 ( 4.238 2.708 -1.536) 5.259 3.974 ( 6.404 4.010 -0.350) 7.564 4.056 ( -4.157 -3.098 1.334) 5.353 4.099 ( 1.201 0.833 -1.343) 1.985 4.177 ( -2.301 -1.570 -0.206) 2.793 4.201 ( -0.228 0.649 -0.149) 0.704 4.241 ( -0.864 -0.899 1.166) 1.707 4.404 ( -2.284 -1.133 -0.058) 2.550 4.541 ( -3.947 -2.333 0.572) 4.620 4.787 ( -6.080 -11.487 1.876) 13.132 4.871 ( -11.277 5.422 -3.427) 12.973 4.925 ( -5.185 -2.998 -2.360) 6.437 4.982 ( 0.280 -3.373 -2.334) 4.111 5.021 ( 0.597 1.156 1.136) 1.727 5.118 ( 2.702 0.440 5.598) 6.232 5.238 ( 2.022 0.921 0.407) 2.259 5.304 ( -3.094 -0.482 -1.284) 3.385 5.349 ( 0.616 -1.897 -2.658) 3.323 5.444 ( 0.697 3.638 2.042) 4.230 5.464 ( 4.821 -0.289 0.666) 4.875 5.494 ( 1.064 0.988 -1.715) 2.246 5.602 ( -4.087 -2.033 7.421) 8.712 5.656 ( 3.216 1.725 -5.673) 6.745 5.949 ( 6.115 3.754 -3.962) 8.196 6.167 ( -0.230 0.099 1.354) 1.377 6.258 ( -0.683 -1.999 2.909) 3.595 6.295 ( -2.660 2.078 1.498) 3.693 6.329 ( 0.883 -2.660 0.491) 2.845 6.342 ( -0.056 1.046 -3.257) 3.421 6.420 ( 2.514 1.482 -0.318) 2.936 6.590 ( 0.568 0.259 0.175) 0.648 6.652 ( 0.908 0.559 1.029) 1.482 6.694 ( -1.618 -1.123 0.770) 2.115 6.733 ( 0.045 0.371 -0.897) 0.972 6.771 ( 1.179 0.417 -1.042) 1.628 6.863 ( -0.805 -0.525 0.259) 0.995 7.026 ( -1.695 -0.911 1.005) 2.171 7.310 ( 3.615 1.762 -0.010) 4.022 7.389 ( -0.718 -0.375 -0.053) 0.812 7.434 ( -1.126 -0.079 0.502) 1.235 7.464 ( -2.424 -1.056 -0.519) 2.694 7.485 ( 3.505 0.665 -0.499) 3.603 7.529 ( 4.356 3.772 -0.243) 5.767 7.569 ( -0.528 -0.920 -0.062) 1.062 8.522 ( -6.655 -3.793 0.234) 7.664 11.973 ( -0.127 -0.070 0.007) 0.145 12.089 ( -1.510 -1.022 0.339) 1.854 12.117 ( -0.103 0.343 0.173) 0.398 12.152 ( 1.222 0.363 0.208) 1.291 12.200 ( 5.876 3.474 -0.777) 6.871 12.520 ( -3.163 -2.061 0.133) 3.777 12.547 ( -2.033 -1.556 0.081) 2.562 12.575 ( -0.399 0.394 -1.062) 1.201 12.778 ( -1.753 -0.864 0.720) 2.083 12.872 ( 4.330 1.409 -1.356) 4.751 12.878 ( 0.408 1.189 0.750) 1.463 13.288 ( -2.829 -1.659 0.016) 3.280 15.811 ( -0.028 0.040 0.184) 0.190 15.816 ( -0.239 -0.183 -0.307) 0.430 15.833 ( 0.318 0.185 -0.039) 0.370 16.225 ( -1.914 0.018 -0.598) 2.005 16.233 ( -0.409 -1.151 -0.361) 1.274 16.318 ( 0.144 -0.086 0.998) 1.012 16.344 ( -2.053 -1.210 0.014) 2.383 16.425 ( -3.621 -2.157 1.103) 4.356 16.557 ( 0.759 0.304 0.131) 0.828 16.567 ( 1.524 1.062 -0.405) 1.901 16.608 ( 2.875 1.659 0.333) 3.336 16.710 ( -0.163 -0.102 -0.019) 0.193 16.777 ( -1.584 -0.778 0.055) 1.765 17.014 ( -2.268 -2.650 0.687) 3.555 17.078 ( 0.329 2.548 -0.315) 2.589 17.081 ( 2.114 0.578 -0.318) 2.214 17.126 ( 3.001 1.404 -0.326) 3.329 17.231 ( 1.432 0.657 -0.018) 1.576 27.163 ( -0.275 -0.158 -0.053) 0.322 27.213 ( -1.283 -0.721 0.100) 1.475 27.227 ( -0.444 -0.283 -0.052) 0.529 27.253 ( 0.019 0.324 -0.113) 0.344 27.255 ( 0.450 -0.075 -0.066) 0.461 27.267 ( 0.851 0.521 0.087) 1.001 29.374 ( -0.237 -0.018 2.940) 2.949 29.435 ( -1.444 -1.092 -2.348) 2.965 29.497 ( 2.921 1.182 -2.439) 3.985 29.532 ( 2.002 1.789 2.036) 3.370 29.721 ( -1.759 -2.064 2.981) 4.030 29.752 ( -1.512 2.067 0.592) 2.628 29.839 ( 2.472 -3.651 -3.744) 5.784 29.862 ( 1.275 3.244 0.181) 3.491 29.907 ( 1.903 1.710 0.222) 2.568 30.172 ( 0.470 0.409 1.506) 1.630 30.321 ( -0.332 -0.268 -1.509) 1.568 30.347 ( 1.935 1.129 -1.283) 2.581 30.423 ( -3.635 -2.100 -0.667) 4.251 30.548 ( -7.339 -4.246 0.069) 8.479 30.756 ( -2.694 -1.553 1.745) 3.565 31.065 ( 12.766 7.391 -0.736) 14.769 32.055 ( -3.388 -2.018 6.083) 7.249 32.179 ( -2.395 -1.330 -5.628) 6.259 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 15.362 8.804 2.185) 17.841 1.017 ( 14.587 14.463 -3.072) 20.770 1.212 ( 13.723 0.234 1.565) 13.814 1.365 ( 2.642 5.286 -8.000) 9.946 1.479 ( 7.954 3.268 1.255) 8.690 1.857 ( 9.878 3.103 1.341) 10.440 2.115 ( 24.606 14.634 4.437) 28.970 2.143 ( -16.795 -8.139 0.048) 18.664 2.404 ( -6.975 1.807 -0.606) 7.231 2.536 ( -7.468 -5.892 -0.614) 9.533 2.627 ( -1.596 -6.961 4.224) 8.298 2.706 ( -1.319 2.962 -2.804) 4.286 2.857 ( 1.161 -6.540 -2.152) 6.982 2.939 ( -3.772 3.936 -0.960) 5.536 3.060 ( 2.462 -4.160 -0.157) 4.837 3.114 ( -2.337 2.770 2.153) 4.216 3.248 ( -1.976 -0.848 -0.431) 2.193 3.262 ( -0.118 0.939 0.419) 1.035 3.311 ( -0.284 -0.968 -1.509) 1.815 3.450 ( -2.735 3.835 -0.725) 4.766 3.490 ( 0.456 -3.427 1.622) 3.819 3.540 ( 1.766 0.318 0.137) 1.799 3.708 ( 3.588 2.663 2.687) 5.214 3.789 ( 1.698 1.594 -1.288) 2.661 3.856 ( 3.986 2.443 -2.407) 5.258 3.927 ( -2.331 -1.422 1.991) 3.379 4.092 ( -1.747 -2.378 -1.714) 3.412 4.133 ( 1.922 -2.912 0.290) 3.501 4.144 ( -0.820 2.468 -1.074) 2.814 4.205 ( 1.201 2.342 0.867) 2.771 4.243 ( 0.903 0.361 0.457) 1.075 4.309 ( -3.685 -3.358 -0.027) 4.986 4.424 ( -4.612 -3.604 2.431) 6.338 4.584 ( -1.371 -9.924 3.257) 10.534 4.667 ( -14.361 3.910 -6.745) 16.341 4.829 ( -5.463 -0.996 -1.291) 5.701 4.978 ( 3.204 -2.747 -4.201) 5.955 5.034 ( -0.044 0.320 2.325) 2.347 5.123 ( -2.162 -0.363 5.082) 5.534 5.255 ( -1.691 1.059 -0.402) 2.036 5.336 ( 5.750 0.968 -0.837) 5.891 5.369 ( 2.513 0.007 -2.522) 3.561 5.474 ( 0.181 1.300 3.892) 4.108 5.497 ( -0.899 0.490 -5.226) 5.326 5.533 ( 2.582 0.094 4.686) 5.351 5.570 ( 0.285 0.805 2.294) 2.448 5.743 ( 4.506 2.059 -2.694) 5.640 6.038 ( 1.427 0.402 -2.912) 3.268 6.096 ( -6.040 -2.760 1.907) 6.909 6.222 ( -0.320 -0.705 2.121) 2.258 6.287 ( -1.021 1.061 2.568) 2.960 6.308 ( -0.445 -0.711 -2.219) 2.372 6.380 ( 1.599 0.920 -3.118) 3.622 6.476 ( 2.157 1.167 -0.950) 2.629 6.589 ( -0.124 -0.498 2.000) 2.064 6.654 ( 0.014 0.944 1.967) 2.181 6.712 ( 1.691 0.008 -0.864) 1.899 6.740 ( 0.009 1.024 0.434) 1.113 6.788 ( 0.999 0.065 -3.091) 3.249 6.844 ( -0.642 -1.083 1.310) 1.817 7.015 ( 0.182 0.612 1.445) 1.580 7.326 ( -0.878 -1.569 0.230) 1.813 7.387 ( -1.792 -0.853 1.334) 2.391 7.416 ( 1.340 0.780 -2.696) 3.109 7.451 ( 1.150 0.755 1.440) 1.992 7.501 ( -2.009 -0.826 0.351) 2.200 7.581 ( 2.002 2.353 -0.666) 3.161 7.700 ( 9.785 4.310 -1.059) 10.745 8.314 ( -11.165 -6.126 0.470) 12.744 11.982 ( 0.918 0.560 0.054) 1.077 12.052 ( -1.576 -1.096 0.170) 1.927 12.117 ( -0.267 0.422 -0.001) 0.500 12.172 ( 0.871 -0.020 0.436) 0.974 12.362 ( 7.445 4.322 -1.265) 8.701 12.457 ( -1.777 -1.420 0.415) 2.313 12.500 ( -1.512 -0.792 -0.208) 1.719 12.576 ( 0.085 0.431 -0.960) 1.056 12.726 ( -2.827 -1.398 1.486) 3.487 12.833 ( -3.191 -2.212 -0.409) 3.904 12.990 ( 4.456 2.843 -0.734) 5.337 13.219 ( -2.705 -1.731 0.241) 3.221 15.805 ( -0.417 -0.066 -0.374) 0.564 15.816 ( 0.195 -0.045 0.221) 0.298 15.842 ( 0.331 0.212 0.024) 0.394 16.188 ( -2.381 0.567 -0.037) 2.448 16.213 ( -0.132 -1.761 -0.498) 1.835 16.284 ( -2.475 -0.966 -0.315) 2.675 16.309 ( -0.918 -1.175 0.303) 1.521 16.378 ( -0.400 -0.442 1.691) 1.793 16.571 ( 0.340 0.492 0.100) 0.606 16.613 ( 2.367 1.034 -0.606) 2.653 16.650 ( 0.844 0.458 0.375) 1.031 16.714 ( 0.467 0.231 -0.059) 0.524 16.745 ( -1.467 -0.202 0.218) 1.497 16.952 ( -1.694 -2.377 0.412) 2.948 17.113 ( -0.239 3.747 -0.470) 3.784 17.121 ( 2.606 -0.961 -0.199) 2.785 17.194 ( 2.685 1.465 -0.032) 3.059 17.252 ( 0.438 -0.079 0.053) 0.448 27.158 ( -0.053 -0.047 -0.116) 0.136 27.184 ( -1.167 -0.613 0.142) 1.326 27.217 ( -0.351 -0.260 -0.021) 0.437 27.256 ( 0.032 0.197 -0.171) 0.262 27.263 ( 0.356 0.030 0.024) 0.358 27.283 ( 0.474 0.286 0.044) 0.555 29.370 ( -0.315 0.125 2.390) 2.414 29.406 ( -0.778 -0.867 -1.599) 1.978 29.564 ( 3.619 -0.339 -0.507) 3.670 29.602 ( 3.063 3.316 -0.451) 4.537 29.676 ( -2.516 1.073 1.713) 3.228 29.762 ( -0.185 1.714 0.128) 1.729 29.807 ( -0.431 -3.026 0.266) 3.068 29.917 ( 3.240 -2.163 -2.846) 4.824 29.966 ( 0.818 3.618 1.816) 4.130 30.173 ( -1.195 -0.321 1.734) 2.130 30.298 ( -1.828 -0.378 2.033) 2.760 30.340 ( -1.274 -1.575 -6.341) 6.657 30.418 ( 4.119 2.371 -1.945) 5.135 30.423 ( -4.167 -2.332 0.814) 4.844 30.668 ( -4.825 -2.776 3.009) 6.327 31.373 ( 13.870 8.089 -1.703) 16.146 31.920 ( -8.463 -5.084 6.354) 11.741 32.129 ( -1.730 -0.865 -4.864) 5.234 ======================= Grid point 3 (4/50) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 0.000 -0.000) 0.000 1.249 ( 0.000 0.000 0.000) 0.000 1.389 ( 0.000 0.000 0.000) 0.000 1.493 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 -0.000) 0.000 1.682 ( -0.000 -0.000 0.000) 0.000 2.000 ( 0.000 0.000 -0.000) 0.000 2.318 ( 0.000 0.000 -0.000) 0.000 2.417 ( 0.000 0.000 -0.000) 0.000 2.427 ( 0.000 -0.000 0.000) 0.000 2.667 ( 0.000 0.000 -0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 -0.000 -0.000) 0.000 2.920 ( -0.000 0.000 0.000) 0.000 3.072 ( -0.000 0.000 0.000) 0.000 3.090 ( 0.000 -0.000 -0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 -0.000) 0.000 3.465 ( 0.000 -0.000 -0.000) 0.000 3.515 ( -0.000 -0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.783 ( 0.000 0.000 -0.000) 0.000 3.877 ( 0.000 -0.000 -0.000) 0.000 3.967 ( 0.000 0.000 -0.000) 0.000 4.023 ( 0.000 -0.000 -0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 -0.000) 0.000 4.252 ( 0.000 0.000 -0.000) 0.000 4.325 ( 0.000 0.000 -0.000) 0.000 4.371 ( 0.000 -0.000 0.000) 0.000 4.530 ( 0.000 0.000 -0.000) 0.000 4.550 ( 0.000 0.000 -0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 5.018 ( -0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 -0.000) 0.000 5.077 ( 0.000 0.000 -0.000) 0.000 5.249 ( 0.000 0.000 -0.000) 0.000 5.397 ( 0.000 0.000 -0.000) 0.000 5.403 ( -0.000 0.000 0.000) 0.000 5.482 ( 0.000 -0.000 0.000) 0.000 5.490 ( -0.000 0.000 -0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 5.575 ( 0.000 0.000 -0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 6.064 ( 0.000 -0.000 -0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 -0.000) 0.000 6.302 ( 0.000 0.000 -0.000) 0.000 6.395 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 -0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 6.723 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 -0.000) 0.000 6.811 ( 0.000 0.000 -0.000) 0.000 6.820 ( -0.000 -0.000 0.000) 0.000 7.023 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 -0.000) 0.000 7.452 ( 0.000 0.000 -0.000) 0.000 7.456 ( 0.000 -0.000 0.000) 0.000 7.471 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 -0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 8.114 ( 0.000 0.000 -0.000) 0.000 12.005 ( 0.000 0.000 -0.000) 0.000 12.021 ( -0.000 -0.000 -0.000) 0.000 12.117 ( 0.000 -0.000 0.000) 0.000 12.180 ( 0.000 0.000 0.000) 0.000 12.429 ( 0.000 0.000 0.000) 0.000 12.458 ( 0.000 0.000 -0.000) 0.000 12.511 ( 0.000 0.000 -0.000) 0.000 12.585 ( 0.000 0.000 -0.000) 0.000 12.671 ( 0.000 0.000 0.000) 0.000 12.776 ( 0.000 0.000 0.000) 0.000 13.052 ( 0.000 0.000 -0.000) 0.000 13.181 ( 0.000 0.000 -0.000) 0.000 15.800 ( 0.000 0.000 -0.000) 0.000 15.818 ( 0.000 0.000 0.000) 0.000 15.846 ( 0.000 0.000 -0.000) 0.000 16.169 ( 0.000 -0.000 -0.000) 0.000 16.201 ( 0.000 0.000 0.000) 0.000 16.255 ( 0.000 0.000 0.000) 0.000 16.293 ( 0.000 0.000 -0.000) 0.000 16.376 ( 0.000 0.000 0.000) 0.000 16.577 ( 0.000 0.000 0.000) 0.000 16.642 ( 0.000 0.000 -0.000) 0.000 16.663 ( 0.000 0.000 -0.000) 0.000 16.710 ( 0.000 0.000 0.000) 0.000 16.737 ( 0.000 0.000 0.000) 0.000 16.923 ( 0.000 0.000 -0.000) 0.000 17.132 ( 0.000 -0.000 0.000) 0.000 17.141 ( -0.000 0.000 -0.000) 0.000 17.230 ( 0.000 -0.000 -0.000) 0.000 17.250 ( 0.000 0.000 0.000) 0.000 27.161 ( 0.000 0.000 -0.000) 0.000 27.167 ( -0.000 -0.000 0.000) 0.000 27.213 ( 0.000 0.000 -0.000) 0.000 27.258 ( 0.000 0.000 -0.000) 0.000 27.266 ( 0.000 0.000 -0.000) 0.000 27.288 ( 0.000 0.000 0.000) 0.000 29.367 ( 0.000 0.000 -0.000) 0.000 29.395 ( 0.000 0.000 0.000) 0.000 29.610 ( 0.000 0.000 -0.000) 0.000 29.619 ( -0.000 0.000 0.000) 0.000 29.705 ( 0.000 0.000 -0.000) 0.000 29.730 ( -0.000 -0.000 0.000) 0.000 29.810 ( 0.000 0.000 -0.000) 0.000 29.922 ( 0.000 -0.000 0.000) 0.000 29.989 ( 0.000 0.000 0.000) 0.000 30.148 ( 0.000 0.000 -0.000) 0.000 30.300 ( 0.000 0.000 0.000) 0.000 30.319 ( 0.000 -0.000 -0.000) 0.000 30.366 ( 0.000 0.000 0.000) 0.000 30.507 ( 0.000 0.000 -0.000) 0.000 30.571 ( 0.000 0.000 0.000) 0.000 31.670 ( -0.000 -0.000 0.000) 0.000 31.684 ( 0.000 0.000 -0.000) 0.000 32.109 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/50) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 10.518 18.239 1.350) 21.098 0.932 ( 13.415 15.732 -3.063) 20.901 1.191 ( -0.790 10.374 -2.724) 10.754 1.329 ( 8.130 7.291 5.141) 12.070 1.462 ( 11.517 19.022 -4.929) 22.777 1.774 ( 3.641 13.020 0.623) 13.533 1.952 ( 10.526 16.874 0.891) 19.908 2.329 ( -12.301 -9.393 -1.131) 15.518 2.348 ( 5.006 -13.582 0.090) 14.476 2.595 ( -7.570 -7.292 0.510) 10.523 2.663 ( -4.600 -3.413 3.571) 6.750 2.716 ( 1.372 -6.961 -4.774) 8.552 2.790 ( -7.811 -3.366 -0.842) 8.547 2.983 ( 2.179 0.490 0.071) 2.235 3.067 ( -1.673 2.380 1.109) 3.113 3.145 ( 3.263 1.273 -2.712) 4.429 3.264 ( 0.357 -1.427 -1.380) 2.017 3.283 ( 0.440 -1.038 1.748) 2.080 3.320 ( -3.225 1.665 3.872) 5.307 3.380 ( 3.372 -2.258 -0.521) 4.092 3.511 ( 0.705 0.389 3.294) 3.391 3.550 ( -1.517 1.368 -1.001) 2.275 3.666 ( 3.816 5.588 1.227) 6.877 3.785 ( 2.169 3.662 -3.778) 5.691 3.821 ( 3.239 4.887 4.353) 7.303 3.950 ( -2.674 -5.831 1.525) 6.594 4.067 ( -1.254 2.155 0.885) 2.646 4.128 ( 0.321 0.662 -0.609) 0.955 4.170 ( 1.350 2.118 0.316) 2.531 4.205 ( 2.090 0.267 0.615) 2.195 4.230 ( -0.886 0.261 0.700) 1.159 4.348 ( -2.917 -4.693 -0.666) 5.566 4.448 ( -4.315 -6.369 2.036) 7.958 4.575 ( -9.426 -9.563 2.802) 13.716 4.827 ( 7.023 -8.306 -6.478) 12.661 4.854 ( -3.178 -4.312 -1.660) 5.608 4.981 ( -7.816 1.354 -8.006) 11.270 5.030 ( 1.560 0.367 2.962) 3.368 5.077 ( 0.412 -1.383 2.895) 3.235 5.247 ( -0.283 -1.813 -2.997) 3.514 5.299 ( 1.005 3.092 0.724) 3.331 5.358 ( -1.341 1.012 0.583) 1.778 5.464 ( 2.770 1.182 0.236) 3.020 5.487 ( -0.667 -0.319 3.038) 3.127 5.526 ( 0.726 2.422 -5.047) 5.645 5.594 ( 1.394 1.524 1.665) 2.653 5.704 ( 1.386 3.281 -0.075) 3.562 6.040 ( 1.918 3.697 -4.479) 6.116 6.128 ( -2.776 -5.864 2.969) 7.135 6.228 ( -1.553 -0.422 0.214) 1.624 6.256 ( 0.398 -2.534 -4.150) 4.879 6.348 ( 0.168 0.671 -0.116) 0.702 6.374 ( 2.204 3.514 1.568) 4.434 6.473 ( 2.052 3.521 -0.224) 4.081 6.586 ( -0.990 -0.889 0.393) 1.388 6.663 ( 0.951 -1.627 -2.100) 2.821 6.689 ( -0.462 2.851 -0.124) 2.891 6.749 ( 1.862 -0.339 2.520) 3.152 6.767 ( -0.830 1.156 5.043) 5.240 6.857 ( -0.889 -0.508 -0.391) 1.096 7.003 ( -0.227 -1.119 -0.840) 1.417 7.355 ( -1.527 2.895 0.739) 3.355 7.371 ( 0.925 -1.330 -1.555) 2.246 7.414 ( 0.865 -1.545 -0.690) 1.900 7.455 ( -0.361 0.579 1.738) 1.867 7.511 ( -1.071 -0.818 0.888) 1.614 7.541 ( 2.029 0.685 -3.502) 4.104 7.662 ( 3.944 8.586 0.808) 9.483 8.381 ( -5.627 -10.136 2.260) 11.812 11.977 ( 0.424 0.700 0.174) 0.836 12.071 ( -1.056 -1.028 0.993) 1.777 12.094 ( -0.153 -1.430 0.335) 1.476 12.189 ( 0.805 2.010 -1.880) 2.868 12.310 ( 4.381 7.432 0.641) 8.651 12.466 ( -1.941 -2.829 1.641) 3.803 12.528 ( -1.069 -0.630 -0.124) 1.247 12.559 ( 0.402 -1.132 -0.652) 1.367 12.740 ( -1.409 -2.829 0.038) 3.161 12.844 ( -2.139 -3.051 -0.467) 3.756 12.969 ( 3.425 5.533 0.285) 6.513 13.238 ( -1.808 -2.914 -0.028) 3.429 15.805 ( -0.238 -0.627 -0.174) 0.693 15.818 ( 0.151 0.447 -0.350) 0.588 15.839 ( 0.206 0.327 -0.538) 0.662 16.183 ( -0.685 -2.480 -1.118) 2.805 16.243 ( -0.116 0.357 0.669) 0.767 16.301 ( -0.647 -2.407 -0.026) 2.492 16.311 ( -1.635 -0.890 -0.800) 2.026 16.379 ( -1.224 -1.786 -0.626) 2.253 16.548 ( -0.211 -0.662 0.612) 0.926 16.608 ( 1.379 2.564 0.722) 2.999 16.643 ( 0.707 1.289 -0.023) 1.470 16.713 ( 0.264 0.506 -0.041) 0.572 16.758 ( -0.137 -1.121 0.647) 1.301 16.988 ( -3.480 -0.672 1.042) 3.694 17.036 ( 1.581 -2.029 0.154) 2.576 17.163 ( 3.012 2.227 -0.528) 3.783 17.169 ( 0.952 4.107 -0.544) 4.251 17.253 ( 0.234 0.976 -0.250) 1.035 27.158 ( -0.128 -0.208 -0.041) 0.248 27.192 ( -0.663 -1.244 -0.119) 1.415 27.219 ( -0.350 -0.504 0.035) 0.615 27.253 ( 0.104 -0.002 -0.081) 0.132 27.265 ( 0.224 0.581 0.062) 0.625 27.279 ( 0.332 0.538 0.131) 0.645 29.363 ( -0.279 -0.721 -3.558) 3.641 29.470 ( 1.300 1.318 1.858) 2.623 29.492 ( -0.796 2.143 1.071) 2.524 29.580 ( 2.287 2.120 -0.046) 3.118 29.699 ( 0.432 -2.183 -0.029) 2.225 29.741 ( 0.437 -0.825 0.601) 1.110 29.814 ( -2.470 -0.418 0.424) 2.540 29.889 ( 0.243 2.446 -2.803) 3.728 29.995 ( 3.380 4.531 4.271) 7.085 30.173 ( 0.164 -0.429 -0.751) 0.881 30.327 ( -0.232 -3.262 -1.270) 3.509 30.350 ( -1.969 1.909 -1.825) 3.294 30.369 ( 0.801 -0.845 3.548) 3.735 30.451 ( -2.634 -4.570 -1.584) 5.508 30.692 ( -2.766 -4.806 0.281) 5.553 31.290 ( 8.154 14.019 -0.180) 16.220 32.001 ( -2.608 -4.046 0.508) 4.841 32.107 ( -2.744 -5.150 -0.250) 5.840 ======================= Grid point 9 (6/50) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 4.949 -1.358 5.187) 7.297 1.196 ( 4.872 3.151 -12.041) 13.366 1.404 ( 9.874 16.618 -4.921) 19.947 1.546 ( 2.154 15.642 2.426) 15.975 1.662 ( -3.657 10.351 -5.536) 12.295 1.916 ( 4.473 3.968 4.377) 7.411 1.993 ( -15.376 -7.299 -2.731) 17.238 2.203 ( 9.410 -6.861 4.261) 12.401 2.328 ( -1.203 -10.735 1.729) 10.940 2.480 ( -7.363 -0.225 2.302) 7.717 2.570 ( 9.056 -5.941 4.997) 11.928 2.652 ( -1.318 -4.464 -2.619) 5.341 2.854 ( 11.113 14.028 -2.833) 18.119 3.003 ( 1.344 -0.772 -0.637) 1.676 3.081 ( -3.417 7.572 -2.426) 8.654 3.170 ( -2.876 1.040 1.984) 3.646 3.213 ( -6.175 -1.312 -2.392) 6.750 3.274 ( -1.008 -3.156 0.181) 3.318 3.306 ( 1.574 2.208 1.118) 2.933 3.392 ( 1.093 -2.546 1.143) 2.997 3.506 ( -0.091 -2.036 2.598) 3.302 3.556 ( -0.133 3.653 3.120) 4.806 3.763 ( 1.681 3.073 2.282) 4.180 3.807 ( -5.248 -2.231 1.302) 5.849 3.857 ( -0.447 -0.945 -0.243) 1.073 3.918 ( 3.791 0.382 5.675) 6.835 4.043 ( -2.975 -4.588 2.012) 5.827 4.103 ( 2.198 1.980 -0.354) 2.979 4.154 ( -2.657 -0.350 -1.126) 2.907 4.205 ( -0.528 -2.433 -0.731) 2.594 4.237 ( 0.341 -1.219 1.688) 2.110 4.275 ( 2.443 -3.115 -1.630) 4.282 4.330 ( -2.601 -5.358 2.375) 6.412 4.504 ( 3.587 4.446 -0.466) 5.731 4.695 ( -11.636 -0.639 -5.122) 12.730 4.841 ( -5.841 0.860 -6.717) 8.943 4.894 ( 7.894 -6.459 -7.370) 12.584 5.054 ( -0.014 1.740 3.019) 3.484 5.094 ( 0.282 -1.108 3.558) 3.737 5.215 ( 0.073 -2.568 -3.114) 4.037 5.348 ( 3.123 -0.766 1.559) 3.574 5.387 ( 0.841 2.472 -1.208) 2.877 5.455 ( -0.427 -2.032 5.158) 5.560 5.501 ( 0.932 -1.235 -2.020) 2.545 5.572 ( 0.487 3.101 -2.491) 4.007 5.638 ( -1.640 5.919 1.017) 6.225 5.777 ( 4.961 1.641 -1.809) 5.530 5.967 ( -4.519 -7.896 0.976) 9.150 6.086 ( -0.366 1.696 -5.794) 6.048 6.215 ( -0.108 -0.334 -1.236) 1.285 6.240 ( 0.335 -2.069 -3.883) 4.413 6.359 ( -0.590 2.062 3.266) 3.907 6.438 ( -0.904 4.629 -1.686) 5.009 6.522 ( -0.341 2.834 0.826) 2.972 6.575 ( 1.276 -0.410 1.795) 2.240 6.650 ( -0.067 -2.701 -3.610) 4.509 6.712 ( 0.062 1.672 -0.554) 1.763 6.759 ( 1.163 -1.082 1.187) 1.983 6.794 ( 0.859 1.484 4.558) 4.869 6.824 ( -1.139 -1.073 3.348) 3.695 6.995 ( 0.763 -1.910 0.558) 2.131 7.341 ( -2.304 2.087 -1.790) 3.587 7.382 ( 0.180 1.948 1.111) 2.250 7.406 ( 0.558 -1.123 -0.513) 1.355 7.477 ( 0.215 0.514 1.494) 1.595 7.495 ( -0.578 0.591 0.399) 0.918 7.573 ( 2.496 -2.400 -4.425) 5.619 7.837 ( 6.258 8.143 1.619) 10.397 8.160 ( -7.619 -8.901 2.964) 12.086 12.000 ( 0.959 1.205 0.422) 1.597 12.037 ( -1.735 -0.316 0.587) 1.859 12.084 ( 1.002 -2.406 0.669) 2.691 12.213 ( -0.610 2.537 -1.790) 3.164 12.416 ( -0.121 -1.254 2.168) 2.508 12.458 ( 2.437 4.020 1.055) 4.818 12.530 ( 1.158 3.593 -1.358) 4.012 12.558 ( 0.539 -1.576 -0.435) 1.722 12.680 ( -1.760 -3.070 0.847) 3.639 12.753 ( -2.022 -5.591 -0.842) 6.005 13.068 ( 1.579 4.334 -0.204) 4.617 13.184 ( -1.407 -1.710 0.053) 2.215 15.796 ( -0.040 -0.572 0.094) 0.581 15.825 ( -0.099 0.771 -0.848) 1.150 15.844 ( 0.163 -0.019 -0.954) 0.968 16.154 ( -0.184 -1.849 -1.074) 2.147 16.238 ( -1.404 1.847 0.805) 2.456 16.267 ( -1.126 -0.868 0.051) 1.422 16.284 ( -0.226 -0.495 -0.811) 0.977 16.359 ( 0.671 -1.611 -0.538) 1.826 16.542 ( 0.954 -2.131 0.969) 2.528 16.649 ( 0.438 1.421 0.010) 1.487 16.659 ( 0.748 0.887 0.159) 1.171 16.714 ( -0.517 -0.681 0.237) 0.887 16.756 ( -0.332 1.211 0.979) 1.593 16.937 ( -1.742 0.863 0.599) 2.034 17.045 ( 2.395 -4.191 0.295) 4.836 17.209 ( -0.150 3.183 -0.698) 3.262 17.228 ( 0.967 2.029 -0.391) 2.282 17.254 ( -0.425 0.097 -0.207) 0.483 27.157 ( 0.184 0.032 -0.126) 0.226 27.171 ( -0.581 -0.701 -0.005) 0.911 27.210 ( -0.052 -0.384 -0.013) 0.388 27.255 ( 0.092 -0.129 -0.157) 0.223 27.273 ( -0.068 0.655 0.125) 0.671 27.286 ( 0.202 0.033 0.114) 0.234 29.354 ( 0.097 -0.703 -3.455) 3.527 29.460 ( -3.554 4.927 2.255) 6.479 29.555 ( 4.511 -0.283 0.706) 4.575 29.627 ( 0.787 0.509 1.488) 1.759 29.690 ( 0.464 -4.009 0.895) 4.134 29.737 ( -0.295 -0.056 -0.547) 0.624 29.776 ( 0.153 -0.724 -0.158) 0.756 29.928 ( 1.038 3.302 -2.488) 4.263 30.030 ( -2.562 0.209 1.026) 2.768 30.182 ( 0.137 3.172 -1.160) 3.380 30.295 ( -0.466 -0.706 0.301) 0.898 30.319 ( -1.541 -0.851 1.540) 2.339 30.384 ( -1.515 -0.187 0.929) 1.787 30.443 ( 5.874 0.399 -2.258) 6.306 30.577 ( -3.795 -6.248 1.243) 7.415 31.582 ( 10.040 12.295 -1.530) 15.947 31.844 ( -11.839 -2.463 3.680) 12.640 32.040 ( 2.773 -7.856 -2.082) 8.587 ======================= Grid point 10 (7/50) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -1.858 -5.132 4.899) 7.334 1.143 ( -8.765 -0.506 -11.146) 14.189 1.447 ( -15.390 -0.230 -3.496) 15.784 1.594 ( -18.441 0.442 -1.335) 18.494 1.654 ( -7.713 9.514 2.140) 12.433 1.898 ( 13.778 6.968 1.234) 15.489 1.964 ( -3.045 1.965 -1.218) 3.823 2.203 ( 4.707 -9.263 1.008) 10.439 2.308 ( 6.259 -3.552 0.581) 7.220 2.468 ( 1.670 -0.676 2.167) 2.819 2.617 ( 4.448 0.688 -3.485) 5.692 2.675 ( 8.333 -9.012 6.351) 13.820 2.843 ( -20.061 -2.102 -3.299) 20.439 2.994 ( -1.918 0.495 -1.723) 2.625 3.087 ( -0.400 5.407 0.881) 5.493 3.162 ( -2.690 3.209 -0.687) 4.243 3.213 ( 4.715 4.549 1.657) 6.758 3.253 ( 1.004 -0.712 -1.302) 1.792 3.329 ( -1.256 -0.261 1.196) 1.754 3.394 ( 0.647 -1.997 1.477) 2.567 3.486 ( 0.763 -0.389 2.758) 2.888 3.559 ( -1.196 2.240 0.819) 2.668 3.742 ( -2.332 -0.347 -0.343) 2.383 3.803 ( 1.451 3.907 0.948) 4.275 3.866 ( 1.517 -1.193 5.774) 6.088 3.937 ( -3.582 -3.261 0.272) 4.852 4.015 ( 6.817 0.967 4.220) 8.075 4.121 ( -0.901 -0.781 1.028) 1.574 4.175 ( -0.074 1.403 -2.586) 2.942 4.217 ( 0.876 0.790 -0.095) 1.184 4.244 ( 0.493 0.113 1.038) 1.155 4.274 ( 5.751 -5.187 1.400) 7.870 4.326 ( 7.129 -2.647 0.409) 7.616 4.510 ( -5.960 -0.718 -2.711) 6.587 4.659 ( 3.430 10.442 -2.771) 11.335 4.790 ( 0.126 1.051 -5.339) 5.443 4.974 ( 6.926 -6.184 -8.727) 12.743 5.054 ( -2.522 0.811 4.123) 4.900 5.068 ( -0.670 0.527 1.592) 1.805 5.214 ( 1.677 -0.884 -2.112) 2.838 5.353 ( -0.765 -3.191 1.810) 3.747 5.396 ( -1.101 -0.165 -0.742) 1.338 5.454 ( 1.690 -0.635 5.688) 5.967 5.491 ( -0.333 -0.820 -2.554) 2.703 5.579 ( -2.172 0.551 -3.532) 4.183 5.630 ( -4.667 4.443 -1.443) 6.603 5.788 ( -3.883 -3.470 0.778) 5.266 5.966 ( 9.679 0.005 0.096) 9.680 6.084 ( -1.646 1.279 -4.913) 5.337 6.222 ( 0.774 0.602 -2.364) 2.560 6.229 ( 0.908 -1.948 -3.388) 4.012 6.359 ( -1.628 1.741 2.719) 3.617 6.431 ( -3.599 2.747 1.145) 4.670 6.528 ( -2.532 2.127 2.488) 4.138 6.579 ( 0.134 -1.431 -2.676) 3.037 6.637 ( 1.527 -1.134 -2.759) 3.351 6.721 ( -0.344 0.793 -1.842) 2.035 6.751 ( -1.369 -1.138 4.470) 4.811 6.796 ( -0.031 -0.561 3.648) 3.691 6.836 ( 1.549 0.247 3.024) 3.406 6.990 ( 0.849 -1.456 -0.627) 1.798 7.337 ( -0.067 1.895 -0.247) 1.912 7.395 ( -0.892 2.782 -1.641) 3.351 7.431 ( -1.558 -1.790 1.580) 2.851 7.450 ( 1.662 -0.886 -0.245) 1.900 7.487 ( -1.442 1.194 -0.038) 1.873 7.573 ( 0.340 -2.774 -2.837) 3.982 7.849 ( -9.746 -1.863 2.235) 10.171 8.154 ( 11.553 2.456 2.455) 12.064 11.999 ( -1.493 -0.181 0.371) 1.549 12.040 ( 1.236 1.419 0.489) 1.944 12.081 ( 1.312 -2.116 0.691) 2.584 12.216 ( -1.675 1.702 -2.088) 3.172 12.418 ( 1.444 -0.584 2.625) 3.052 12.464 ( -5.631 -0.562 1.809) 5.941 12.513 ( -1.288 1.365 -0.674) 1.995 12.565 ( -0.695 -1.370 -0.716) 1.695 12.682 ( 3.209 0.163 -1.280) 3.459 12.754 ( 6.195 -1.156 0.277) 6.308 13.066 ( -4.654 0.889 0.337) 4.750 13.187 ( 2.264 0.287 -0.272) 2.298 15.795 ( 0.435 -0.212 0.199) 0.524 15.826 ( -0.553 0.444 -0.885) 1.134 15.844 ( -0.076 -0.153 -0.971) 0.986 16.148 ( 1.122 -0.449 -0.968) 1.549 16.245 ( -0.742 1.939 0.982) 2.297 16.258 ( 1.081 0.393 0.257) 1.179 16.292 ( 1.143 0.015 -0.713) 1.347 16.361 ( 1.211 -1.444 -1.815) 2.616 16.539 ( 1.198 -1.818 1.130) 2.453 16.655 ( -0.305 0.209 -0.523) 0.641 16.658 ( -2.141 -0.293 0.865) 2.328 16.712 ( 0.993 0.212 0.186) 1.033 16.751 ( -1.389 1.058 0.793) 1.918 16.952 ( 1.185 2.311 0.317) 2.617 17.033 ( 1.598 -4.602 0.612) 4.910 17.204 ( -2.882 1.695 -0.487) 3.378 17.230 ( -2.175 0.204 -0.428) 2.226 17.257 ( 0.313 0.371 -0.288) 0.565 27.158 ( -0.133 -0.173 0.010) 0.218 27.170 ( 0.880 0.191 -0.155) 0.914 27.211 ( 0.396 -0.158 -0.001) 0.427 27.254 ( 0.012 -0.119 -0.095) 0.153 27.273 ( -0.482 0.368 0.142) 0.623 27.286 ( -0.136 -0.161 0.086) 0.228 29.353 ( 0.477 -0.389 -3.801) 3.851 29.460 ( -2.301 5.007 2.050) 5.880 29.593 ( -1.720 -7.151 0.811) 7.399 29.615 ( -1.470 0.521 1.435) 2.120 29.637 ( 1.576 1.625 0.424) 2.303 29.746 ( 0.319 -0.296 0.394) 0.587 29.791 ( 1.915 -1.027 -0.839) 2.329 29.958 ( -2.980 -2.179 -2.252) 4.325 30.004 ( 1.334 4.832 0.084) 5.014 30.192 ( -3.855 1.983 -0.226) 4.341 30.265 ( 1.702 -0.308 -2.387) 2.947 30.344 ( 1.784 0.949 7.823) 8.079 30.380 ( 0.681 1.211 -2.067) 2.491 30.443 ( -3.335 -5.001 0.890) 6.076 30.577 ( 7.306 0.170 -2.125) 7.611 31.580 ( -15.600 -2.434 1.408) 15.851 31.848 ( 8.074 9.028 -3.480) 12.602 32.038 ( 5.317 -6.446 2.241) 8.651 ======================= Grid point 15 (8/50) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.000 -0.000 1.159) 1.159 1.258 ( -0.000 -0.000 -12.675) 12.675 1.667 ( -3.659 -7.317 -2.352) 8.512 1.667 ( 3.659 7.317 -2.352) 8.512 1.840 ( -3.513 -7.026 -5.776) 9.751 1.840 ( 3.513 7.026 -5.776) 9.751 2.005 ( -0.000 -0.000 7.564) 7.564 2.149 ( -2.252 -4.504 2.204) 5.497 2.149 ( 2.252 4.504 2.204) 5.497 2.421 ( -0.000 0.000 9.474) 9.474 2.533 ( -1.358 -2.716 0.613) 3.098 2.533 ( 1.358 2.716 0.613) 3.098 3.007 ( -0.000 -0.000 0.842) 0.842 3.142 ( -1.198 -2.395 2.931) 3.970 3.142 ( 1.198 2.395 2.931) 3.970 3.157 ( -0.000 -0.000 -7.653) 7.653 3.201 ( -0.323 -0.646 -3.170) 3.251 3.201 ( 0.323 0.646 -3.170) 3.251 3.360 ( -1.141 -2.282 0.769) 2.665 3.360 ( 1.141 2.282 0.769) 2.665 3.455 ( -0.000 -0.000 6.185) 6.185 3.677 ( -0.000 -0.000 7.202) 7.202 3.769 ( -1.435 -2.870 1.892) 3.725 3.769 ( 1.435 2.870 1.892) 3.725 3.825 ( -0.000 -0.000 -0.951) 0.951 3.935 ( -0.862 -1.724 6.542) 6.820 3.935 ( 0.862 1.724 6.542) 6.820 4.145 ( -0.085 -0.170 -4.574) 4.578 4.145 ( 0.085 0.170 -4.574) 4.578 4.200 ( -0.000 -0.000 1.650) 1.650 4.221 ( -2.065 -4.131 1.699) 4.921 4.221 ( 2.065 4.131 1.699) 4.921 4.242 ( -0.000 -0.000 -0.387) 0.387 4.648 ( -0.000 -0.000 2.035) 2.035 4.711 ( -3.612 -7.225 -7.456) 10.993 4.711 ( 3.612 7.225 -7.456) 10.993 4.856 ( -0.000 -0.000 -10.076) 10.076 5.087 ( -0.223 -0.445 2.575) 2.623 5.087 ( 0.223 0.445 2.575) 2.623 5.190 ( -0.000 -0.000 -3.517) 3.517 5.370 ( -1.257 -2.513 2.535) 3.785 5.370 ( 1.257 2.513 2.535) 3.785 5.463 ( -0.999 -1.998 0.496) 2.288 5.463 ( 0.999 1.998 0.496) 2.288 5.602 ( -0.000 -0.000 -3.922) 3.922 5.791 ( -3.576 -7.153 -0.887) 8.046 5.791 ( 3.576 7.153 -0.887) 8.046 5.804 ( 0.000 0.000 -0.501) 0.501 6.104 ( -0.000 -0.000 -6.089) 6.089 6.214 ( -0.186 -0.371 -3.466) 3.491 6.214 ( 0.186 0.371 -3.466) 3.491 6.383 ( -0.000 -0.000 5.494) 5.494 6.522 ( -1.552 -3.104 -0.289) 3.482 6.522 ( 1.552 3.104 -0.289) 3.482 6.597 ( -0.817 -1.635 -2.639) 3.210 6.597 ( 0.817 1.635 -2.639) 3.210 6.739 ( 0.000 -0.000 3.249) 3.249 6.765 ( -1.109 -2.217 0.024) 2.479 6.765 ( 1.109 2.217 0.024) 2.479 6.817 ( -0.000 -0.000 6.449) 6.449 6.982 ( -0.000 -0.000 2.758) 2.758 7.371 ( -0.967 -1.934 0.429) 2.204 7.371 ( 0.967 1.934 0.429) 2.204 7.469 ( -0.638 -1.276 0.879) 1.676 7.469 ( 0.638 1.276 0.879) 1.676 7.506 ( -0.000 -0.000 0.204) 0.204 7.516 ( 0.000 0.000 -7.485) 7.485 7.992 ( -3.432 -6.864 3.199) 8.314 7.992 ( 3.432 6.864 3.199) 8.314 12.019 ( -0.000 -0.000 0.509) 0.509 12.044 ( -0.572 -1.143 0.736) 1.475 12.044 ( 0.572 1.143 0.736) 1.475 12.240 ( -0.000 -0.000 -2.687) 2.687 12.399 ( -0.000 -0.000 3.361) 3.361 12.526 ( -0.719 -1.438 1.137) 1.969 12.526 ( 0.719 1.438 1.137) 1.969 12.630 ( -2.655 -5.310 -1.451) 6.112 12.630 ( 2.655 5.310 -1.451) 6.112 12.638 ( -0.000 -0.000 0.025) 0.025 13.142 ( -1.326 -2.652 -0.062) 2.966 13.142 ( 1.326 2.652 -0.062) 2.966 15.790 ( -0.000 -0.000 0.139) 0.139 15.839 ( -0.227 -0.455 -1.294) 1.390 15.839 ( 0.227 0.455 -1.294) 1.390 16.137 ( -0.000 -0.000 -0.844) 0.844 16.251 ( -0.169 -0.338 0.566) 0.681 16.251 ( 0.169 0.338 0.566) 0.681 16.315 ( -1.164 -2.327 -1.377) 2.944 16.315 ( 1.164 2.327 -1.377) 2.944 16.519 ( -0.000 -0.000 1.574) 1.574 16.656 ( -0.000 -0.000 -0.589) 0.589 16.690 ( -0.670 -1.341 0.642) 1.631 16.690 ( 0.670 1.341 0.642) 1.631 16.774 ( -0.000 -0.000 1.218) 1.218 16.973 ( -1.127 -2.254 0.345) 2.543 16.973 ( 1.127 2.254 0.345) 2.543 17.245 ( -0.497 -0.994 -0.304) 1.152 17.245 ( 0.497 0.994 -0.304) 1.152 17.256 ( -0.000 -0.000 -0.757) 0.757 27.160 ( -0.139 -0.278 -0.091) 0.323 27.160 ( 0.139 0.278 -0.091) 0.323 27.206 ( 0.000 -0.000 -0.002) 0.002 27.253 ( -0.000 -0.000 -0.160) 0.160 27.283 ( -0.162 -0.323 0.143) 0.389 27.283 ( 0.162 0.323 0.143) 0.389 29.348 ( -0.000 -0.000 -3.566) 3.566 29.553 ( -1.114 -2.228 1.026) 2.693 29.553 ( 1.114 2.228 1.026) 2.693 29.593 ( -0.000 -0.000 2.346) 2.346 29.643 ( -0.000 -0.000 1.686) 1.686 29.753 ( -0.493 -0.986 -0.442) 1.187 29.753 ( 0.493 0.986 -0.442) 1.187 29.993 ( -1.010 -2.019 -2.988) 3.745 29.993 ( 1.010 2.019 -2.988) 3.745 30.252 ( -0.000 0.000 -2.706) 2.706 30.287 ( -1.385 -2.770 4.885) 5.784 30.287 ( 1.385 2.770 4.885) 5.784 30.441 ( -0.000 -0.000 0.472) 0.472 30.448 ( -1.819 -3.639 -1.408) 4.305 30.448 ( 1.819 3.639 -1.408) 4.305 31.790 ( 0.000 -0.000 -0.061) 0.061 31.849 ( -3.715 -7.430 0.112) 8.308 31.849 ( 3.715 7.430 0.112) 8.308 ======================= Grid point 43 (9/50) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.000 0.000 28.604) 28.604 0.590 ( 0.000 0.000 28.604) 28.604 1.172 ( 0.000 0.000 9.591) 9.591 1.172 ( 0.000 -0.000 9.591) 9.591 1.188 ( 0.000 0.000 58.518) 58.518 1.505 ( 0.000 0.000 5.933) 5.933 1.505 ( 0.000 0.000 5.933) 5.933 2.651 ( 0.000 0.000 2.834) 2.834 2.651 ( 0.000 0.000 2.834) 2.834 2.726 ( -0.000 0.000 2.278) 2.278 2.933 ( 0.000 -0.000 2.933) 2.933 2.953 ( -0.000 -0.000 4.208) 4.208 2.953 ( 0.000 -0.000 4.208) 4.208 3.120 ( 0.000 0.000 3.687) 3.687 3.120 ( 0.000 0.000 3.687) 3.687 3.151 ( 0.000 0.000 5.593) 5.593 3.268 ( 0.000 0.000 1.129) 1.129 3.268 ( 0.000 0.000 1.129) 1.129 3.326 ( 0.000 0.000 1.623) 1.623 3.429 ( 0.000 0.000 5.000) 5.000 3.479 ( 0.000 0.000 2.144) 2.144 3.479 ( 0.000 0.000 2.144) 2.144 3.532 ( -0.000 0.000 7.345) 7.345 3.661 ( 0.000 0.000 -2.195) 2.195 3.661 ( 0.000 0.000 -2.195) 2.195 3.891 ( 0.000 -0.000 -0.221) 0.221 3.986 ( 0.000 0.000 -8.921) 8.921 3.986 ( 0.000 0.000 -8.921) 8.921 4.157 ( 0.000 0.000 -6.717) 6.717 4.238 ( -0.000 -0.000 3.656) 3.656 4.238 ( 0.000 0.000 3.656) 3.656 4.407 ( 0.000 0.000 9.179) 9.179 4.595 ( 0.000 -0.000 1.241) 1.241 4.811 ( 0.000 0.000 -11.355) 11.355 4.811 ( 0.000 0.000 -11.355) 11.355 4.962 ( -0.000 -0.000 -3.987) 3.987 4.971 ( 0.000 0.000 3.342) 3.342 4.971 ( 0.000 0.000 3.342) 3.342 5.161 ( 0.000 0.000 2.811) 2.811 5.161 ( -0.000 0.000 2.811) 2.811 5.175 ( 0.000 -0.000 -6.246) 6.246 5.348 ( 0.000 0.000 -4.045) 4.045 5.371 ( 0.000 0.000 -2.078) 2.078 5.371 ( 0.000 0.000 -2.078) 2.078 5.517 ( 0.000 0.000 3.204) 3.204 5.517 ( 0.000 0.000 3.204) 3.204 5.659 ( 0.000 0.000 -2.953) 2.953 5.905 ( 0.000 0.000 1.744) 1.744 6.217 ( 0.000 0.000 -2.088) 2.088 6.217 ( -0.000 -0.000 -2.088) 2.088 6.219 ( 0.000 0.000 -12.845) 12.845 6.335 ( 0.000 0.000 -0.673) 0.673 6.335 ( 0.000 0.000 -0.673) 0.673 6.494 ( 0.000 -0.000 2.740) 2.740 6.599 ( 0.000 0.000 -1.310) 1.310 6.599 ( 0.000 0.000 -1.310) 1.310 6.800 ( 0.000 0.000 1.641) 1.641 6.807 ( 0.000 -0.000 4.970) 4.970 6.807 ( 0.000 0.000 4.970) 4.970 7.070 ( -0.000 -0.000 0.795) 0.795 7.070 ( 0.000 0.000 0.795) 0.795 7.201 ( -0.000 0.000 -4.381) 4.381 7.377 ( 0.000 0.000 -3.504) 3.504 7.377 ( 0.000 0.000 -3.504) 3.504 7.414 ( 0.000 0.000 -2.096) 2.096 7.545 ( 0.000 0.000 3.131) 3.131 7.545 ( 0.000 0.000 3.131) 3.131 7.609 ( -0.000 -0.000 1.679) 1.679 8.379 ( 0.000 0.000 -5.212) 5.212 12.051 ( 0.000 0.000 6.928) 6.928 12.092 ( 0.000 0.000 -0.976) 0.976 12.092 ( 0.000 0.000 -0.976) 0.976 12.152 ( 0.000 0.000 1.479) 1.479 12.152 ( 0.000 0.000 1.479) 1.479 12.587 ( 0.000 -0.000 0.944) 0.944 12.587 ( 0.000 -0.000 0.944) 0.944 12.589 ( 0.000 0.000 1.736) 1.736 12.780 ( 0.000 -0.000 -1.444) 1.444 12.780 ( -0.000 0.000 -1.444) 1.444 12.868 ( 0.000 0.000 -1.749) 1.749 13.289 ( 0.000 -0.000 -3.850) 3.850 15.818 ( 0.000 0.000 0.897) 0.897 15.818 ( 0.000 0.000 0.897) 0.897 16.209 ( 0.000 0.000 -3.039) 3.039 16.209 ( 0.000 0.000 -3.039) 3.039 16.325 ( 0.000 0.000 0.920) 0.920 16.325 ( 0.000 0.000 0.920) 0.920 16.370 ( -0.000 -0.000 -0.162) 0.162 16.484 ( 0.000 0.000 -3.070) 3.070 16.547 ( 0.000 0.000 -0.094) 0.094 16.547 ( 0.000 0.000 -0.094) 0.094 16.622 ( 0.000 -0.000 2.849) 2.849 16.727 ( 0.000 0.000 1.299) 1.299 16.805 ( -0.000 0.000 0.566) 0.566 16.805 ( 0.000 0.000 0.566) 0.566 17.043 ( 0.000 -0.000 -0.539) 0.539 17.049 ( 0.000 0.000 -1.319) 1.319 17.049 ( -0.000 -0.000 -1.319) 1.319 17.116 ( 0.000 0.000 1.136) 1.136 27.188 ( 0.000 -0.000 0.053) 0.053 27.228 ( 0.000 0.000 -0.189) 0.189 27.228 ( -0.000 -0.000 -0.189) 0.189 27.241 ( 0.000 0.000 -0.081) 0.081 27.253 ( 0.000 0.000 0.042) 0.042 27.253 ( 0.000 0.000 0.042) 0.042 29.345 ( 0.000 0.000 -2.260) 2.260 29.345 ( 0.000 0.000 -2.260) 2.260 29.489 ( 0.000 0.000 1.691) 1.691 29.489 ( 0.000 0.000 1.691) 1.691 29.712 ( 0.000 -0.000 -3.637) 3.637 29.745 ( 0.000 0.000 -1.760) 1.760 29.745 ( 0.000 0.000 -1.760) 1.760 29.925 ( -0.000 0.000 2.791) 2.791 30.118 ( 0.000 0.000 -4.319) 4.319 30.118 ( 0.000 0.000 -4.319) 4.319 30.385 ( 0.000 0.000 5.767) 5.767 30.385 ( 0.000 0.000 5.767) 5.767 30.540 ( 0.000 0.000 6.700) 6.700 30.762 ( 0.000 0.000 -1.343) 1.343 30.907 ( 0.000 0.000 4.606) 4.606 30.907 ( 0.000 0.000 4.606) 4.606 31.332 ( 0.000 0.000 -1.757) 1.757 32.302 ( 0.000 -0.000 -6.991) 6.991 ======================= Grid point 44 (10/50) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 10.302 11.137 18.549) 23.963 0.778 ( 11.471 9.401 20.759) 25.513 1.215 ( 4.612 -0.193 9.254) 10.342 1.286 ( 13.082 1.208 12.561) 18.176 1.465 ( 6.103 2.107 17.314) 18.478 1.661 ( 21.943 14.325 27.495) 37.982 1.752 ( 13.624 8.029 -1.417) 15.877 2.527 ( -10.700 -5.428 3.787) 12.582 2.579 ( -5.495 -4.498 3.663) 7.991 2.699 ( -2.578 0.094 0.751) 2.687 2.790 ( -7.273 -8.021 3.479) 11.372 2.852 ( -4.563 -3.651 2.660) 6.420 2.958 ( -5.447 -6.390 5.345) 9.953 3.022 ( -3.653 4.312 6.741) 8.796 3.116 ( 0.475 -0.772 4.016) 4.117 3.183 ( 2.706 -2.283 4.201) 5.494 3.228 ( -1.662 2.807 -0.918) 3.389 3.299 ( -2.940 -0.931 2.170) 3.771 3.378 ( 2.653 -0.378 0.415) 2.712 3.430 ( -0.531 3.853 5.833) 7.010 3.455 ( -0.678 3.225 -2.587) 4.190 3.567 ( 4.312 0.660 3.025) 5.309 3.584 ( 3.154 3.596 4.311) 6.439 3.650 ( 3.326 -0.552 -3.958) 5.199 3.758 ( 3.927 3.746 -0.651) 5.466 3.965 ( 5.131 2.202 -2.129) 5.976 4.018 ( 2.620 2.137 -6.141) 7.010 4.081 ( 3.628 4.714 -9.908) 11.557 4.133 ( -1.816 -0.643 -3.743) 4.210 4.158 ( -5.018 -2.875 5.858) 8.232 4.232 ( 0.551 -1.162 2.121) 2.480 4.421 ( -1.128 -0.208 4.403) 4.550 4.547 ( -4.322 -1.708 0.910) 4.736 4.704 ( -8.462 -1.316 -10.081) 13.228 4.843 ( -1.218 -2.546 -3.517) 4.509 4.870 ( -4.944 -8.829 -0.461) 10.130 4.923 ( -1.825 -0.996 -1.340) 2.474 5.021 ( 0.772 0.859 -0.434) 1.234 5.117 ( 2.168 1.461 -6.727) 7.217 5.209 ( 2.210 -0.967 1.117) 2.658 5.243 ( 2.589 0.202 -5.134) 5.754 5.291 ( -0.776 -1.713 -0.344) 1.912 5.371 ( 1.136 -0.393 -2.402) 2.686 5.461 ( 4.048 2.332 -2.010) 5.085 5.516 ( -1.270 3.585 2.369) 4.481 5.585 ( 5.995 0.989 1.545) 6.270 5.719 ( 2.921 0.693 -1.412) 3.318 5.890 ( 0.005 0.700 1.082) 1.289 6.151 ( -4.660 0.241 -7.739) 9.037 6.215 ( 1.541 -1.517 -4.379) 4.884 6.247 ( 2.065 -2.321 -2.912) 4.258 6.342 ( 1.142 0.256 0.018) 1.170 6.378 ( 0.157 4.020 2.667) 4.827 6.479 ( 0.495 -1.913 4.570) 4.979 6.592 ( 0.439 -0.074 -2.433) 2.474 6.607 ( 0.688 0.494 -0.947) 1.270 6.785 ( -0.380 -1.925 4.348) 4.770 6.797 ( -1.164 0.968 2.242) 2.705 6.824 ( -0.059 3.157 4.496) 5.494 6.942 ( -7.171 -2.830 6.617) 10.159 7.065 ( 0.174 -0.769 2.533) 2.653 7.262 ( 2.852 1.902 -5.183) 6.214 7.345 ( -1.361 -0.005 -2.547) 2.888 7.383 ( 1.289 -0.894 -4.745) 4.998 7.434 ( 0.147 0.810 -1.149) 1.413 7.506 ( 1.517 -1.713 2.289) 3.237 7.582 ( 1.702 1.659 2.944) 3.784 7.595 ( -1.724 -1.261 1.634) 2.690 8.377 ( -4.315 0.120 -10.173) 11.051 12.026 ( -0.991 -0.385 5.005) 5.117 12.081 ( -1.442 1.669 -0.785) 2.342 12.137 ( 0.283 -0.669 0.752) 1.046 12.165 ( 4.658 -2.320 1.204) 5.342 12.199 ( 2.434 4.693 1.012) 5.383 12.525 ( -4.402 -0.740 0.523) 4.494 12.565 ( -0.245 -2.180 0.424) 2.234 12.577 ( -2.088 -0.163 2.103) 2.968 12.777 ( -0.957 -0.318 -0.722) 1.240 12.835 ( 3.163 0.399 -2.116) 3.827 12.875 ( 1.239 1.768 -1.058) 2.405 13.257 ( -2.354 -1.363 -3.122) 4.141 15.811 ( -0.255 -0.186 0.644) 0.717 15.826 ( 0.508 0.017 1.203) 1.306 15.992 ( -10.781 -5.910 8.199) 14.778 16.188 ( -0.242 -1.802 -2.755) 3.301 16.214 ( -0.784 -0.015 -1.962) 2.113 16.332 ( -0.360 -1.589 0.524) 1.712 16.341 ( -1.539 -1.420 -0.278) 2.113 16.477 ( -3.393 -3.949 2.685) 5.858 16.558 ( 0.629 0.107 0.088) 0.644 16.569 ( 0.090 2.492 0.905) 2.653 16.602 ( 3.728 2.851 -0.871) 4.774 16.722 ( -0.122 0.011 1.274) 1.280 16.788 ( -2.050 0.704 1.060) 2.412 16.963 ( 0.927 1.445 -5.408) 5.674 17.036 ( -1.091 1.984 -2.076) 3.072 17.074 ( 3.262 -1.617 -1.186) 3.829 17.110 ( 4.512 1.450 -1.001) 4.843 17.180 ( 4.068 2.656 -1.139) 4.990 27.171 ( -0.724 -0.467 0.510) 1.001 27.212 ( -0.902 -0.812 -0.115) 1.219 27.226 ( -0.380 -0.006 -0.030) 0.382 27.251 ( 0.026 -0.025 -0.099) 0.105 27.253 ( 0.515 0.122 -0.192) 0.563 27.267 ( 0.704 0.749 -0.047) 1.029 29.326 ( 1.452 -3.362 -4.463) 5.773 29.436 ( 3.780 3.940 -2.659) 6.073 29.455 ( -1.593 0.743 2.595) 3.135 29.565 ( 3.056 1.470 1.495) 3.706 29.711 ( 0.511 1.703 -2.513) 3.078 29.749 ( -0.762 2.216 -2.164) 3.190 29.785 ( 4.617 -1.962 -2.604) 5.652 29.911 ( -1.260 -0.717 2.787) 3.142 30.017 ( -6.372 -0.533 5.228) 8.259 30.138 ( 0.213 2.850 -4.936) 5.704 30.314 ( -0.876 -7.223 3.933) 8.271 30.385 ( -0.621 2.968 4.862) 5.730 30.480 ( -5.772 -3.655 4.129) 7.982 30.607 ( -4.239 -3.281 5.942) 8.002 30.855 ( -2.481 -0.793 6.683) 7.173 31.073 ( 10.847 5.662 1.407) 12.316 31.681 ( 13.347 8.220 -18.821) 24.494 32.209 ( -7.195 -4.169 -3.996) 9.226 ======================= Grid point 45 (11/50) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 6.108 12.940 7.831) 16.312 1.098 ( 21.837 6.997 6.107) 23.730 1.308 ( 8.759 -3.927 10.264) 14.053 1.437 ( 1.560 4.201 10.948) 11.830 1.623 ( 13.025 -0.558 11.298) 17.251 1.942 ( 7.659 5.677 4.754) 10.654 2.213 ( -16.115 -7.871 7.014) 19.257 2.331 ( 20.905 12.492 16.585) 29.464 2.467 ( -2.263 3.737 5.728) 7.204 2.556 ( -11.355 -6.713 3.176) 13.568 2.662 ( -0.838 -1.512 -1.007) 2.000 2.712 ( -1.374 -6.008 4.328) 7.531 2.864 ( -1.143 -1.120 2.567) 3.025 2.995 ( -2.301 -0.282 5.944) 6.381 3.090 ( -0.629 -4.438 2.356) 5.064 3.180 ( -1.562 -0.269 1.268) 2.029 3.187 ( -5.108 0.412 -0.630) 5.163 3.278 ( 1.366 2.083 1.456) 2.886 3.407 ( -1.217 1.036 8.982) 9.123 3.435 ( -2.776 3.986 -1.117) 4.985 3.505 ( 4.430 3.875 -0.810) 5.941 3.582 ( 0.298 -2.500 1.019) 2.717 3.704 ( 1.717 0.223 -0.714) 1.873 3.733 ( 3.521 8.033 -0.984) 8.826 3.858 ( 2.659 2.877 -1.354) 4.144 3.978 ( -4.143 0.700 0.171) 4.205 4.054 ( -1.642 0.628 -0.315) 1.786 4.108 ( -1.605 2.592 -1.913) 3.599 4.122 ( 1.805 -3.830 0.591) 4.275 4.175 ( 2.483 3.660 -5.977) 7.435 4.235 ( -0.094 0.683 1.621) 1.762 4.331 ( -5.750 -4.643 3.467) 8.163 4.466 ( -0.445 -0.943 2.239) 2.470 4.536 ( -8.604 1.122 -5.596) 10.325 4.656 ( -2.807 -12.569 3.821) 13.433 4.793 ( -2.192 -4.652 -2.696) 5.807 4.894 ( 1.111 -3.093 -3.358) 4.698 5.010 ( -1.314 1.062 -3.700) 4.068 5.150 ( -2.339 -0.325 -4.997) 5.527 5.220 ( 1.000 -0.883 -2.952) 3.239 5.272 ( 3.480 -0.595 -2.868) 4.548 5.344 ( 4.679 3.041 -0.228) 5.585 5.402 ( 1.311 -0.198 -2.413) 2.753 5.524 ( 1.687 0.318 -0.326) 1.747 5.527 ( -0.415 1.313 0.170) 1.387 5.677 ( 0.208 -1.061 1.788) 2.090 5.745 ( 5.160 0.560 2.221) 5.646 5.942 ( 2.859 -0.146 -3.426) 4.464 6.067 ( -4.321 -1.178 -3.804) 5.876 6.225 ( 2.191 -3.598 -4.380) 6.078 6.255 ( 1.925 -2.639 -0.590) 3.319 6.363 ( -0.281 2.146 2.985) 3.687 6.406 ( 0.749 1.999 6.007) 6.375 6.503 ( 1.346 1.478 2.292) 3.041 6.603 ( 0.159 -0.775 -0.964) 1.247 6.636 ( 2.165 1.293 -3.000) 3.919 6.728 ( -2.542 -2.787 5.143) 6.378 6.783 ( -1.478 0.856 1.472) 2.255 6.840 ( -2.525 -1.079 1.641) 3.199 6.874 ( -0.867 5.847 5.734) 8.236 7.059 ( -0.228 -1.293 2.356) 2.697 7.284 ( 0.739 -2.479 -3.795) 4.593 7.354 ( 1.214 1.521 -3.691) 4.173 7.383 ( -1.557 2.207 -2.396) 3.611 7.452 ( 0.217 0.440 -1.862) 1.925 7.516 ( -0.942 -0.475 1.616) 1.930 7.573 ( 3.047 -2.593 0.266) 4.010 7.676 ( 6.365 4.709 -1.280) 8.020 8.223 ( -11.186 -2.411 -8.525) 14.269 12.019 ( -0.161 0.460 3.009) 3.048 12.069 ( -1.405 0.940 0.974) 1.951 12.124 ( -0.524 -0.561 1.469) 1.658 12.191 ( 1.553 -1.758 1.244) 2.655 12.333 ( 5.945 4.670 -1.503) 7.708 12.457 ( -3.113 0.728 0.019) 3.197 12.531 ( -1.083 -1.370 2.658) 3.181 12.565 ( 0.910 0.013 0.044) 0.912 12.746 ( -1.875 -0.962 0.444) 2.153 12.804 ( -3.200 -2.802 -2.461) 4.914 12.969 ( 4.140 3.090 -1.223) 5.309 13.204 ( -1.898 -1.384 -1.664) 2.878 15.805 ( -0.254 -0.152 0.587) 0.658 15.832 ( 0.363 -0.596 1.643) 1.785 15.871 ( -1.371 -1.693 2.425) 3.260 16.168 ( 0.197 -2.138 -2.090) 2.996 16.198 ( -1.249 0.847 -1.153) 1.899 16.279 ( -2.676 -0.711 -0.204) 2.777 16.313 ( -0.681 -1.717 0.144) 1.853 16.407 ( -1.358 -2.837 0.923) 3.278 16.567 ( -0.389 1.113 -0.518) 1.288 16.611 ( 1.964 1.638 0.309) 2.576 16.655 ( 1.074 0.536 0.371) 1.256 16.727 ( 0.223 0.240 1.207) 1.251 16.761 ( -1.760 0.956 1.436) 2.464 16.942 ( -1.670 -1.164 -1.452) 2.501 17.063 ( -0.513 4.977 -3.729) 6.240 17.112 ( 3.477 -3.047 -1.316) 4.807 17.190 ( 3.080 1.397 -0.267) 3.392 17.240 ( 1.191 0.366 -0.822) 1.493 27.160 ( -0.140 -0.167 0.332) 0.397 27.188 ( -0.968 -0.670 0.163) 1.188 27.218 ( -0.279 -0.220 0.161) 0.390 27.252 ( 0.122 0.087 -0.205) 0.254 27.262 ( 0.259 0.181 -0.172) 0.360 27.282 ( 0.358 0.385 -0.090) 0.533 29.317 ( 1.580 -3.532 -4.189) 5.703 29.422 ( -2.229 1.103 -0.003) 2.487 29.565 ( 5.002 3.388 1.323) 6.185 29.602 ( 0.950 1.844 -0.196) 2.083 29.728 ( -0.707 -0.095 1.679) 1.824 29.769 ( -0.233 2.827 0.059) 2.837 29.838 ( 1.094 -0.165 -2.850) 3.057 29.864 ( 1.249 -4.321 3.840) 5.914 29.986 ( -1.069 4.618 0.294) 4.749 30.176 ( 0.450 1.996 -3.927) 4.428 30.195 ( -3.695 -7.429 -2.524) 8.673 30.369 ( -1.523 -2.284 3.815) 4.700 30.413 ( 0.048 1.958 3.516) 4.025 30.557 ( -0.721 0.451 9.316) 9.354 30.787 ( -3.909 -2.097 7.567) 8.772 31.329 ( 11.561 6.368 -2.362) 13.409 31.858 ( 2.249 1.660 -11.856) 12.181 32.019 ( -7.694 -4.470 -4.302) 9.884 ======================= Grid point 46 (12/50) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -1.635 1.386 4.724) 5.188 1.361 ( 1.577 -5.110 6.873) 8.708 1.471 ( -0.220 -3.734 8.400) 9.195 1.520 ( 14.663 0.711 6.242) 15.952 1.837 ( 11.121 4.013 15.249) 19.295 1.855 ( -15.629 -4.374 12.631) 20.565 2.070 ( 2.773 -0.269 5.462) 6.132 2.324 ( -8.601 -1.491 0.051) 8.729 2.413 ( -0.708 6.253 -1.053) 6.380 2.493 ( -1.633 -5.901 5.877) 8.487 2.670 ( 2.721 -3.585 0.356) 4.514 2.756 ( -5.285 9.435 2.136) 11.023 2.943 ( 5.555 -5.879 3.495) 8.811 2.966 ( -3.032 2.135 2.118) 4.271 3.041 ( -0.995 -1.648 0.769) 2.072 3.167 ( -3.468 3.855 4.655) 6.969 3.188 ( 9.629 4.311 7.704) 13.063 3.299 ( -0.250 -0.469 -0.313) 0.616 3.377 ( 0.353 -2.310 4.949) 5.473 3.473 ( 0.669 0.518 2.955) 3.074 3.528 ( -0.224 2.700 2.216) 3.500 3.590 ( -5.674 1.099 5.688) 8.109 3.689 ( -4.348 0.440 1.371) 4.581 3.790 ( -1.019 0.517 -0.971) 1.499 3.848 ( 0.628 2.646 -3.792) 4.666 3.988 ( 1.422 1.958 -2.294) 3.335 3.996 ( -2.773 1.322 1.713) 3.517 4.089 ( -1.449 0.848 -3.565) 3.941 4.116 ( -0.037 1.355 -1.762) 2.223 4.186 ( -3.347 2.014 -2.731) 4.767 4.256 ( 2.948 1.276 -0.105) 3.215 4.285 ( 2.119 0.770 1.425) 2.667 4.425 ( -4.501 -3.268 4.254) 7.002 4.512 ( -3.777 -3.742 -1.915) 5.651 4.587 ( 10.906 0.354 3.933) 11.599 4.764 ( 6.045 -5.378 -0.116) 8.092 4.892 ( 1.690 -3.641 -6.316) 7.484 5.002 ( -0.918 1.096 -4.758) 4.968 5.091 ( -3.055 0.495 -0.999) 3.252 5.233 ( 0.798 0.011 -3.373) 3.467 5.328 ( 3.077 -0.652 -4.573) 5.551 5.382 ( -2.935 0.563 -2.876) 4.148 5.438 ( 1.437 0.216 0.898) 1.708 5.503 ( -1.872 -2.325 -2.660) 3.998 5.542 ( 1.043 0.439 0.286) 1.167 5.626 ( -2.341 -2.320 1.795) 3.752 5.871 ( 5.466 0.779 2.376) 6.010 5.904 ( -3.354 -1.816 -3.416) 5.120 6.037 ( 2.117 -2.425 -1.742) 3.660 6.216 ( 1.330 -3.811 -2.604) 4.804 6.265 ( 2.590 -3.393 1.318) 4.467 6.372 ( -1.800 3.004 4.602) 5.783 6.450 ( 1.891 0.950 4.874) 5.314 6.541 ( 1.216 2.891 3.259) 4.523 6.571 ( -1.496 -2.391 -0.419) 2.851 6.670 ( -1.623 -1.585 1.161) 2.549 6.688 ( 0.672 1.109 -1.750) 2.178 6.773 ( 0.628 0.270 -0.583) 0.899 6.813 ( -0.813 1.126 1.516) 2.056 6.890 ( -3.490 5.157 5.032) 8.006 7.028 ( -0.662 -2.359 0.308) 2.470 7.286 ( 1.516 -1.278 -1.366) 2.408 7.361 ( -2.292 0.754 -0.792) 2.540 7.402 ( 2.638 0.835 -3.559) 4.508 7.432 ( -1.978 0.606 -3.460) 4.031 7.503 ( -0.583 0.010 2.341) 2.412 7.603 ( 2.440 -2.957 -0.627) 3.884 7.842 ( 1.373 3.242 -3.429) 4.914 8.031 ( -3.648 1.807 -7.724) 8.731 12.020 ( -0.582 0.639 1.130) 1.422 12.060 ( -0.143 0.448 3.121) 3.156 12.114 ( -0.594 0.477 0.557) 0.944 12.191 ( 0.748 -1.997 1.121) 2.409 12.417 ( -0.555 2.331 -0.426) 2.433 12.468 ( 1.067 2.324 -1.630) 3.033 12.517 ( 0.896 -0.976 2.432) 2.769 12.578 ( -1.097 -0.371 -0.574) 1.292 12.684 ( -1.324 -2.074 0.871) 2.610 12.761 ( 0.969 0.637 -1.504) 1.899 13.039 ( 0.906 0.671 -1.171) 1.626 13.171 ( -0.475 -0.457 -0.976) 1.177 15.803 ( 0.039 0.401 0.501) 0.643 15.826 ( 0.215 -1.225 1.106) 1.665 15.862 ( 0.867 -0.766 1.640) 2.007 16.158 ( 1.494 -2.438 -1.305) 3.143 16.197 ( -0.588 2.259 -0.463) 2.380 16.252 ( 0.064 0.423 -0.258) 0.499 16.294 ( 0.005 -0.635 0.026) 0.635 16.364 ( -0.931 -1.890 -1.031) 2.345 16.568 ( -0.717 1.163 -0.753) 1.560 16.639 ( 0.494 -0.893 -0.312) 1.067 16.676 ( 0.068 0.965 1.305) 1.625 16.718 ( -0.427 0.005 0.591) 0.729 16.753 ( -0.833 1.040 1.638) 2.112 16.914 ( -0.573 0.289 -0.833) 1.052 17.097 ( -1.617 4.676 -3.260) 5.925 17.126 ( 2.549 -4.625 -1.586) 5.514 17.225 ( -0.216 -0.644 -0.388) 0.783 17.247 ( 0.369 0.055 -0.156) 0.405 27.163 ( 0.464 0.140 0.256) 0.548 27.170 ( -0.427 -0.283 0.260) 0.574 27.215 ( 0.057 -0.056 0.240) 0.253 27.256 ( 0.254 -0.090 -0.155) 0.311 27.265 ( -0.143 0.218 -0.177) 0.315 27.287 ( -0.107 0.078 -0.155) 0.204 29.312 ( 2.186 -4.017 -3.243) 5.606 29.403 ( -2.161 2.743 -0.909) 3.609 29.596 ( -1.148 1.508 -1.211) 2.249 29.676 ( 0.434 -0.336 4.318) 4.353 29.729 ( 1.900 3.890 0.433) 4.351 29.736 ( -2.978 -1.997 1.759) 3.994 29.838 ( -1.175 -3.792 2.819) 4.868 29.896 ( 3.936 1.080 -2.873) 4.992 29.964 ( -2.813 -0.334 -1.184) 3.070 30.122 ( 0.901 -0.737 -2.562) 2.814 30.217 ( 1.873 0.952 -2.792) 3.494 30.353 ( 0.550 -0.628 0.213) 0.861 30.421 ( -0.456 1.834 5.243) 5.573 30.592 ( 1.712 2.843 8.153) 8.802 30.693 ( -3.160 -2.874 9.069) 10.025 31.566 ( 8.753 5.210 -6.827) 12.263 31.696 ( -12.354 -7.285 -1.567) 14.427 32.014 ( 3.779 2.316 -8.605) 9.680 ======================= Grid point 48 (13/50) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -9.888 -0.136 10.868) 14.694 1.189 ( -4.642 -11.533 9.193) 15.462 1.249 ( -17.257 -9.678 9.857) 22.105 1.536 ( -3.592 -12.485 5.809) 14.231 1.642 ( -8.044 2.077 13.527) 15.874 1.931 ( -8.714 -4.836 6.115) 11.692 2.151 ( -15.471 -3.420 10.214) 18.851 2.214 ( 16.405 1.373 6.362) 17.649 2.496 ( 6.251 -0.657 7.876) 10.077 2.528 ( 4.763 8.494 -1.843) 9.911 2.614 ( 2.222 2.456 3.992) 5.187 2.792 ( 0.870 -2.149 6.745) 7.132 2.946 ( 3.487 2.526 6.132) 7.493 2.980 ( 1.770 3.810 1.252) 4.384 3.076 ( 4.870 -2.543 -0.841) 5.558 3.129 ( -4.506 2.241 5.325) 7.327 3.200 ( -3.560 0.665 -2.066) 4.169 3.290 ( -1.079 -1.204 2.188) 2.720 3.404 ( -1.195 1.470 4.949) 5.299 3.476 ( -0.183 -2.948 1.290) 3.223 3.513 ( 0.713 1.897 3.345) 3.911 3.578 ( -2.466 2.530 3.918) 5.276 3.632 ( -1.375 0.449 -2.805) 3.156 3.772 ( -3.505 -2.137 -1.477) 4.363 3.842 ( -3.524 -1.029 -2.960) 4.716 3.979 ( 1.380 5.128 2.883) 6.043 4.038 ( -0.165 -0.673 -5.977) 6.017 4.088 ( -1.985 3.225 -3.155) 4.929 4.132 ( -1.128 0.219 -7.789) 7.873 4.219 ( 0.893 2.123 7.055) 7.421 4.236 ( -5.517 -5.423 -0.014) 7.736 4.320 ( 6.580 0.395 3.360) 7.399 4.411 ( 4.296 3.852 1.692) 6.013 4.519 ( 3.014 8.558 -2.765) 9.485 4.785 ( 11.369 -2.436 2.626) 11.920 4.847 ( 5.727 -2.843 -0.091) 6.394 4.893 ( 5.282 -4.198 -6.023) 9.045 4.993 ( -1.264 0.836 -4.362) 4.617 5.073 ( -1.012 2.268 -0.306) 2.502 5.223 ( -2.930 -1.158 -5.764) 6.568 5.322 ( -0.620 -1.025 0.556) 1.321 5.358 ( 0.242 -2.096 -4.568) 5.032 5.384 ( -3.207 -1.453 -0.847) 3.621 5.470 ( -1.580 -0.013 -2.568) 3.015 5.548 ( -3.717 0.760 -0.329) 3.808 5.581 ( 1.991 -3.004 1.416) 3.872 5.808 ( -2.867 -2.688 2.656) 4.743 5.983 ( 3.142 1.170 -4.801) 5.856 6.036 ( 0.799 -1.938 -3.153) 3.786 6.206 ( 1.180 -2.165 -2.900) 3.806 6.268 ( 1.788 -3.490 1.595) 4.233 6.363 ( -2.350 1.921 3.048) 4.302 6.443 ( -2.536 0.007 2.183) 3.346 6.509 ( -2.352 -2.715 1.624) 3.942 6.618 ( 1.454 1.841 2.831) 3.676 6.649 ( 0.146 -0.929 1.865) 2.089 6.669 ( 0.279 0.109 -0.496) 0.579 6.800 ( -0.207 1.939 -1.395) 2.397 6.831 ( 0.484 1.599 3.165) 3.579 6.881 ( -1.432 4.246 5.584) 7.160 7.009 ( 0.949 -1.778 0.746) 2.149 7.288 ( 0.065 -0.217 -2.251) 2.262 7.360 ( 1.569 0.233 -1.555) 2.222 7.395 ( -3.585 -0.976 -3.823) 5.331 7.431 ( 0.409 0.798 -2.272) 2.443 7.513 ( 1.161 1.139 1.446) 2.176 7.588 ( 0.504 -4.130 0.221) 4.167 7.712 ( -8.085 -2.382 0.290) 8.433 8.202 ( 8.364 8.382 -9.748) 15.337 12.015 ( -0.372 0.567 2.532) 2.621 12.073 ( 0.541 1.031 2.340) 2.614 12.112 ( -0.435 0.849 -0.033) 0.954 12.179 ( 0.371 -2.489 0.919) 2.679 12.382 ( -7.464 -3.742 0.743) 8.383 12.446 ( 1.187 3.162 -0.422) 3.404 12.530 ( 1.571 0.028 2.377) 2.849 12.589 ( 1.243 0.848 0.044) 1.505 12.696 ( 2.191 0.691 -1.224) 2.603 12.820 ( 2.958 1.545 -1.696) 3.743 12.994 ( -4.393 -2.409 -0.350) 5.022 13.195 ( 2.362 1.336 -2.030) 3.389 15.810 ( 0.065 0.288 0.264) 0.396 15.822 ( 0.494 -0.679 1.285) 1.535 15.883 ( 2.444 0.475 3.516) 4.308 16.175 ( 3.031 -2.093 -1.364) 3.928 16.218 ( -0.022 2.392 -0.145) 2.396 16.280 ( 1.779 0.581 -1.122) 2.182 16.301 ( 0.843 0.004 -0.521) 0.991 16.356 ( 1.838 0.717 -0.076) 1.974 16.564 ( -0.788 0.544 -0.558) 1.109 16.623 ( -1.748 -0.404 -0.233) 1.810 16.646 ( -2.045 -1.153 0.501) 2.400 16.730 ( -0.285 -0.010 1.409) 1.437 16.754 ( 0.754 1.186 1.173) 1.830 16.932 ( 0.724 2.420 -1.417) 2.896 17.091 ( -3.207 2.762 -2.356) 4.844 17.109 ( 1.134 -5.081 -1.770) 5.499 17.185 ( -2.323 -2.212 -0.854) 3.320 17.242 ( -1.132 -0.693 -0.418) 1.392 27.163 ( 0.093 0.012 0.390) 0.401 27.183 ( 1.160 0.486 0.025) 1.258 27.219 ( 0.335 0.190 0.191) 0.429 27.257 ( 0.163 -0.457 -0.063) 0.489 27.262 ( -0.437 0.307 -0.111) 0.546 27.280 ( -0.587 -0.153 -0.201) 0.639 29.311 ( 2.414 -4.133 -2.517) 5.408 29.403 ( -1.453 3.258 -2.022) 4.100 29.575 ( -2.698 0.530 0.628) 2.820 29.636 ( -4.400 -1.410 2.436) 5.224 29.672 ( 0.052 -1.581 0.179) 1.592 29.757 ( -2.354 -1.932 -0.393) 3.071 29.808 ( 1.956 1.298 -1.696) 2.897 29.903 ( 0.306 -2.412 -1.235) 2.727 30.002 ( -0.457 5.373 4.514) 7.032 30.136 ( 1.433 -0.846 -1.356) 2.146 30.250 ( 2.409 -0.958 -2.742) 3.773 30.395 ( 4.471 1.053 -0.262) 4.601 30.437 ( -0.766 2.212 5.201) 5.704 30.583 ( -2.005 -0.516 9.724) 9.942 30.712 ( 4.153 2.156 6.674) 8.151 31.392 ( -13.412 -8.099 0.258) 15.670 31.709 ( 2.643 1.993 -12.553) 12.982 32.116 ( 4.926 2.846 -5.647) 8.015 ======================= Grid point 49 (14/50) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -18.599 -6.860 17.145) 26.209 0.834 ( -18.082 -4.815 20.401) 27.683 1.131 ( 1.282 -3.249 14.037) 14.465 1.294 ( -6.563 -12.781 8.265) 16.575 1.512 ( -9.102 -4.238 22.093) 24.268 1.642 ( -20.112 -8.900 23.389) 32.105 1.730 ( -11.295 -7.698 -2.001) 13.815 2.515 ( 10.713 5.352 2.148) 12.167 2.624 ( 5.021 1.010 5.584) 7.577 2.674 ( 3.136 5.014 0.384) 5.927 2.793 ( 9.097 2.471 3.242) 9.968 2.832 ( 7.786 1.518 5.365) 9.576 3.021 ( -3.520 3.648 4.946) 7.083 3.054 ( 5.715 0.155 4.889) 7.523 3.075 ( -0.515 2.291 2.883) 3.719 3.132 ( 2.817 -1.547 1.729) 3.649 3.244 ( 3.081 4.757 2.091) 6.041 3.283 ( -0.208 2.127 0.034) 2.138 3.357 ( -0.526 -5.643 0.955) 5.748 3.417 ( -4.626 -0.253 2.973) 5.505 3.503 ( -5.364 3.805 2.702) 7.110 3.526 ( -1.039 -1.390 5.833) 6.086 3.620 ( -2.218 -2.107 -0.325) 3.076 3.653 ( -3.431 -4.178 -2.153) 5.819 3.756 ( -4.640 -1.388 -0.665) 4.889 3.984 ( -6.762 -5.014 -1.005) 8.478 4.020 ( -1.489 -0.908 -8.277) 8.459 4.048 ( -3.769 1.717 -7.796) 8.828 4.137 ( 2.127 2.882 -2.030) 4.117 4.150 ( 3.246 -0.021 0.223) 3.254 4.239 ( 0.662 -0.467 4.660) 4.730 4.413 ( 1.206 0.863 3.553) 3.850 4.537 ( 4.871 3.628 1.261) 6.203 4.715 ( 5.538 9.383 -7.220) 13.070 4.841 ( 2.019 -5.734 -10.132) 11.816 4.914 ( 2.101 2.403 1.554) 3.550 4.969 ( 4.776 -4.301 0.446) 6.442 4.990 ( -0.311 0.059 -2.230) 2.253 5.094 ( 1.961 1.554 0.856) 2.644 5.147 ( -2.239 0.086 -4.412) 4.948 5.296 ( -3.145 -4.333 -4.663) 7.100 5.338 ( 0.825 -0.056 -1.025) 1.317 5.355 ( 1.992 -3.055 -0.977) 3.776 5.428 ( -4.069 0.833 -2.430) 4.812 5.498 ( -2.608 3.027 0.654) 4.049 5.567 ( -0.606 -3.370 1.900) 3.916 5.740 ( -3.501 -2.849 0.137) 4.515 5.922 ( -3.764 -1.787 -0.818) 4.247 6.120 ( 4.550 3.997 -7.996) 10.030 6.215 ( 0.904 -0.218 -3.408) 3.532 6.257 ( 0.796 -4.033 -1.508) 4.379 6.334 ( -1.493 1.034 0.920) 2.035 6.387 ( -4.113 -0.086 -0.988) 4.231 6.483 ( 1.765 -1.074 6.370) 6.696 6.592 ( -1.699 -0.920 -2.283) 2.991 6.619 ( -0.673 -0.711 -1.170) 1.525 6.754 ( 3.956 1.486 5.161) 6.671 6.794 ( -1.679 1.990 0.208) 2.612 6.836 ( -1.215 0.470 5.296) 5.454 6.961 ( 5.102 4.750 7.664) 10.360 7.028 ( 2.476 -0.128 1.127) 2.723 7.285 ( -5.429 -1.236 -3.093) 6.369 7.319 ( 2.437 0.028 -4.251) 4.900 7.389 ( 0.857 -0.749 -3.347) 3.535 7.439 ( -1.132 -0.057 -1.959) 2.263 7.514 ( 1.052 -1.198 1.263) 2.034 7.574 ( -1.545 -1.507 1.921) 2.889 7.613 ( -0.606 0.293 3.584) 3.647 8.369 ( 2.671 4.115 -10.439) 11.534 12.025 ( 0.874 0.790 4.533) 4.684 12.088 ( -1.011 2.391 0.621) 2.670 12.122 ( 1.390 -0.163 0.835) 1.629 12.145 ( -1.127 -3.734 -0.687) 3.961 12.232 ( -5.639 -2.341 2.164) 6.478 12.517 ( 3.083 3.243 -0.092) 4.476 12.567 ( 2.079 0.375 1.738) 2.736 12.600 ( -0.254 0.028 1.459) 1.482 12.749 ( 2.162 1.251 -2.098) 3.262 12.850 ( -0.978 -1.617 -1.873) 2.661 12.882 ( -3.992 -1.403 -0.426) 4.253 13.256 ( 2.524 1.482 -3.201) 4.338 15.813 ( 0.148 0.095 0.588) 0.613 15.823 ( 0.035 -0.298 1.172) 1.210 16.001 ( 9.816 6.159 8.253) 14.227 16.208 ( 2.163 -0.778 -1.760) 2.895 16.228 ( -0.397 0.333 -1.758) 1.833 16.302 ( 2.188 -1.700 0.078) 2.772 16.339 ( 2.134 1.579 -0.510) 2.703 16.446 ( 5.818 3.053 2.361) 6.982 16.553 ( -0.784 0.103 -0.213) 0.819 16.581 ( -2.287 0.173 0.693) 2.396 16.591 ( -3.327 -1.787 -0.921) 3.887 16.723 ( -0.064 0.025 1.323) 1.325 16.785 ( 0.733 1.789 0.839) 2.107 16.963 ( -0.934 1.487 -3.626) 4.028 17.054 ( -2.848 1.154 -2.274) 3.822 17.071 ( 0.230 -4.233 -1.532) 4.507 17.109 ( -3.349 -3.336 -1.712) 5.027 17.181 ( -4.500 -2.178 -0.834) 5.069 27.171 ( 0.676 0.345 0.494) 0.906 27.210 ( 1.248 0.482 -0.140) 1.345 27.227 ( 0.201 0.270 -0.040) 0.339 27.253 ( -0.126 -0.237 -0.103) 0.288 27.256 ( -0.260 -0.429 -0.035) 0.503 27.264 ( -1.097 -0.062 -0.169) 1.112 29.317 ( 2.463 -2.980 -2.483) 4.595 29.403 ( -1.998 1.539 -3.270) 4.130 29.515 ( -4.097 -0.184 1.216) 4.278 29.546 ( -2.616 -3.119 1.958) 4.517 29.693 ( 0.570 2.640 -1.966) 3.340 29.724 ( 0.184 -0.515 -1.850) 1.929 29.799 ( -1.585 -2.827 -3.636) 4.871 29.912 ( 1.016 0.622 2.417) 2.695 30.041 ( 2.001 3.746 5.205) 6.718 30.130 ( -1.997 1.448 -2.327) 3.392 30.304 ( 4.859 -1.679 0.790) 5.201 30.422 ( -2.334 0.576 5.449) 5.956 30.498 ( 4.259 1.889 3.986) 6.132 30.606 ( 5.361 1.976 6.029) 8.306 30.809 ( 4.063 2.913 5.981) 7.795 31.100 ( -11.519 -7.132 2.499) 13.777 31.646 ( -10.351 -5.433 -18.250) 21.674 32.230 ( 4.869 2.801 -4.848) 7.420 ======================= Grid point 51 (15/50) ======================= q-point: ( 0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.973 10.898 14.619) 18.260 1.063 ( 9.767 14.715 13.157) 22.023 1.243 ( 0.739 4.995 6.717) 8.403 1.406 ( 12.459 11.528 6.612) 18.216 1.595 ( -4.135 11.869 7.781) 14.782 1.872 ( 6.838 6.248 4.922) 10.489 2.116 ( 19.155 22.178 21.748) 36.493 2.320 ( -6.194 -13.640 1.263) 15.034 2.455 ( -4.061 -7.571 6.671) 10.877 2.605 ( -4.602 -7.243 0.408) 8.591 2.718 ( 0.150 -9.062 5.458) 10.580 2.733 ( -0.376 0.863 4.244) 4.347 2.832 ( -12.616 -4.237 4.016) 13.902 3.032 ( -2.211 -3.502 3.518) 5.434 3.103 ( 0.257 2.511 3.530) 4.340 3.176 ( 4.178 0.113 4.609) 6.222 3.261 ( -2.553 -0.686 -1.065) 2.850 3.286 ( 2.569 0.002 1.245) 2.855 3.377 ( 4.261 3.036 1.596) 5.470 3.449 ( -1.120 -0.634 5.864) 6.004 3.527 ( -1.208 1.942 1.033) 2.510 3.580 ( -1.513 -0.164 -0.180) 1.532 3.665 ( 4.610 3.387 -0.665) 5.759 3.749 ( 4.267 8.066 2.139) 9.373 3.842 ( 3.193 3.656 -1.968) 5.238 4.028 ( -0.813 -1.053 -6.870) 6.998 4.063 ( 0.395 -1.849 6.306) 6.583 4.069 ( -0.395 4.670 -1.271) 4.856 4.137 ( 0.210 0.335 -3.047) 3.073 4.158 ( 3.113 1.720 -6.593) 7.492 4.240 ( 0.431 2.968 3.011) 4.250 4.364 ( -2.009 -5.891 2.477) 6.699 4.473 ( -1.689 -5.472 1.696) 5.973 4.659 ( -9.157 -4.655 0.914) 10.313 4.668 ( -6.028 -10.509 -4.222) 12.830 4.797 ( -3.526 -1.827 -7.142) 8.171 4.852 ( -1.428 -5.611 0.236) 5.795 5.032 ( 2.316 0.646 -1.891) 3.059 5.094 ( 0.886 -2.332 -3.423) 4.236 5.196 ( -1.363 0.078 -0.857) 1.612 5.258 ( 0.454 2.748 -3.999) 4.873 5.335 ( 0.347 3.543 -2.158) 4.163 5.372 ( 1.097 0.467 -2.867) 3.105 5.487 ( 2.001 0.108 -3.278) 3.842 5.544 ( -0.885 0.002 1.197) 1.489 5.612 ( 6.410 1.750 0.787) 6.691 5.748 ( -2.283 2.077 1.891) 3.620 5.960 ( -0.468 4.446 -1.757) 4.803 6.070 ( -0.220 -6.804 -7.612) 10.212 6.202 ( 0.638 -2.057 -2.226) 3.097 6.208 ( -2.289 0.345 -0.495) 2.367 6.384 ( 1.493 2.637 1.371) 3.326 6.440 ( -1.229 2.501 4.977) 5.704 6.479 ( 2.588 1.926 1.116) 3.414 6.611 ( -0.396 2.418 -1.274) 2.761 6.624 ( 0.163 0.356 -0.714) 0.815 6.711 ( -0.031 -4.530 4.451) 6.351 6.826 ( -0.941 0.616 -0.768) 1.362 6.841 ( -0.281 -1.346 3.587) 3.842 6.919 ( -0.112 0.645 6.168) 6.202 7.020 ( 2.065 -2.191 2.691) 4.038 7.287 ( -1.184 0.908 -4.437) 4.681 7.348 ( -0.229 -0.318 -1.503) 1.554 7.398 ( 3.398 2.514 -2.102) 4.721 7.460 ( 1.141 0.209 -1.380) 1.803 7.496 ( -1.331 1.001 -0.877) 1.882 7.542 ( -1.466 -2.321 1.713) 3.236 7.669 ( 1.907 6.706 0.317) 6.979 8.306 ( -3.411 -7.692 -8.707) 12.109 12.022 ( 0.074 0.056 3.707) 3.709 12.095 ( 0.119 -1.759 1.715) 2.460 12.121 ( -1.294 0.754 1.493) 2.115 12.153 ( 2.067 0.554 -1.284) 2.496 12.324 ( 2.435 7.720 0.842) 8.139 12.492 ( -0.582 -1.862 0.656) 2.058 12.531 ( -0.398 -1.342 0.407) 1.458 12.573 ( -2.390 -0.278 2.074) 3.177 12.725 ( 0.635 -3.880 -1.412) 4.177 12.819 ( -2.529 -2.410 -1.930) 3.991 12.967 ( 2.469 5.825 -0.511) 6.347 13.214 ( -1.282 -2.631 -2.359) 3.760 15.807 ( -0.316 -0.115 0.548) 0.643 15.822 ( 0.251 -0.358 1.161) 1.241 15.885 ( -2.769 -3.614 4.134) 6.150 16.152 ( -1.062 -1.867 -2.036) 2.960 16.233 ( -0.794 1.413 -1.900) 2.498 16.290 ( 0.646 -2.155 -0.504) 2.305 16.306 ( -1.417 -1.728 -0.119) 2.238 16.386 ( -0.513 -4.336 1.017) 4.483 16.558 ( 0.034 0.066 0.469) 0.474 16.622 ( 0.204 2.529 0.021) 2.537 16.633 ( 1.805 0.792 -0.297) 1.994 16.729 ( 0.204 0.608 1.533) 1.661 16.781 ( 0.393 -0.815 1.641) 1.874 16.979 ( -1.410 -0.350 -1.670) 2.214 17.027 ( 0.166 -1.403 -1.088) 1.783 17.123 ( 0.878 4.073 -3.873) 5.688 17.154 ( 2.400 2.715 -0.497) 3.658 17.233 ( 0.940 1.943 -0.843) 2.317 27.162 ( -0.303 -0.269 0.378) 0.554 27.190 ( -0.460 -1.203 -0.007) 1.288 27.220 ( -0.358 -0.491 0.107) 0.617 27.252 ( -0.060 0.052 -0.074) 0.109 27.264 ( 0.202 0.669 -0.181) 0.722 27.280 ( 0.389 0.467 -0.054) 0.611 29.276 ( -0.271 -1.450 -4.045) 4.305 29.475 ( 3.535 1.659 -2.105) 4.436 29.521 ( -1.577 3.932 2.762) 5.057 29.600 ( 1.374 2.109 1.483) 2.921 29.723 ( 2.230 -1.595 0.434) 2.776 29.745 ( 2.108 0.089 -0.022) 2.110 29.803 ( -0.027 2.515 -5.103) 5.689 29.869 ( -2.665 -2.859 4.332) 5.834 30.062 ( 0.526 3.418 1.582) 3.803 30.161 ( -0.558 -6.737 0.892) 6.819 30.217 ( -1.387 3.002 -6.734) 7.503 30.383 ( -4.443 -3.479 2.338) 6.108 30.438 ( -0.658 0.928 4.540) 4.680 30.562 ( -0.701 -0.665 10.599) 10.643 30.775 ( 0.249 -5.859 6.641) 8.859 31.283 ( 5.417 13.778 -0.401) 14.810 31.785 ( 6.230 0.668 -14.649) 15.932 32.105 ( -7.249 -5.756 -3.902) 10.045 ======================= Grid point 52 (16/50) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 4.920 -2.661 4.740) 7.332 1.262 ( 3.855 -0.024 10.507) 11.192 1.408 ( 6.877 15.203 5.706) 17.634 1.614 ( -5.571 11.880 2.698) 13.396 1.715 ( 9.302 8.094 10.766) 16.369 1.973 ( -1.950 -8.710 3.589) 9.620 2.095 ( -5.807 3.918 8.462) 10.986 2.329 ( 6.964 -6.306 6.747) 11.567 2.415 ( -5.086 -9.100 6.898) 12.500 2.530 ( -5.965 -2.609 -0.777) 6.557 2.616 ( -4.109 -3.910 0.366) 5.683 2.729 ( 8.149 -6.647 7.857) 13.127 2.857 ( 10.610 17.513 8.155) 22.040 3.004 ( 0.228 2.342 0.626) 2.435 3.084 ( -4.187 2.815 3.163) 5.954 3.213 ( -2.902 2.624 1.973) 4.381 3.226 ( -0.051 0.427 3.661) 3.686 3.315 ( -0.330 1.491 0.819) 1.732 3.367 ( -3.920 -3.750 5.474) 7.707 3.439 ( 1.203 -3.228 2.355) 4.173 3.550 ( -0.688 1.165 0.629) 1.492 3.619 ( 6.770 6.513 2.918) 9.837 3.755 ( 0.813 3.893 1.728) 4.336 3.859 ( -2.891 -1.360 -0.276) 3.207 3.873 ( -1.906 3.181 -0.686) 3.771 3.997 ( -1.238 0.693 -1.089) 1.788 4.053 ( -2.621 -0.661 2.531) 3.703 4.089 ( 0.638 2.011 -0.172) 2.116 4.151 ( -1.399 0.790 1.216) 2.015 4.197 ( 2.623 -2.203 -0.312) 3.439 4.227 ( -1.079 -3.054 1.088) 3.417 4.282 ( -1.172 0.062 -0.058) 1.175 4.375 ( -0.144 -7.829 3.627) 8.630 4.483 ( 1.004 -2.471 -0.219) 2.676 4.568 ( -4.472 1.783 -6.871) 8.389 4.713 ( -3.079 -3.646 -5.482) 7.268 4.805 ( 2.736 -5.707 -0.814) 6.381 5.040 ( -1.664 2.016 -3.353) 4.252 5.117 ( 3.160 -3.062 -5.945) 7.396 5.146 ( -0.271 -3.068 0.951) 3.223 5.328 ( 0.337 4.148 -6.900) 8.058 5.379 ( 2.194 1.768 1.750) 3.317 5.401 ( 1.465 -0.075 -3.247) 3.563 5.495 ( 0.326 -1.362 -4.309) 4.531 5.527 ( -0.301 -2.825 1.256) 3.106 5.695 ( -3.184 3.530 1.794) 5.081 5.771 ( 6.701 1.571 0.347) 6.891 5.940 ( -3.821 -4.558 -3.144) 6.728 6.020 ( 0.231 0.320 -1.129) 1.195 6.176 ( -0.695 -1.033 -2.022) 2.374 6.200 ( 1.643 -2.292 0.056) 2.820 6.434 ( -1.259 3.928 2.035) 4.599 6.451 ( 1.182 2.855 4.714) 5.636 6.525 ( 1.094 0.034 -0.439) 1.180 6.601 ( -2.152 0.125 1.004) 2.378 6.642 ( 1.326 -2.991 2.215) 3.951 6.695 ( 2.043 2.462 -1.319) 3.460 6.781 ( -3.427 -0.730 1.232) 3.714 6.830 ( -0.225 -0.113 0.901) 0.936 6.914 ( 1.395 -4.628 1.522) 5.067 7.045 ( -0.765 2.850 4.281) 5.200 7.291 ( -1.047 3.262 -2.126) 4.032 7.362 ( 2.520 0.235 -2.153) 3.323 7.431 ( -4.062 0.617 0.743) 4.175 7.457 ( 0.117 0.240 -3.868) 3.877 7.511 ( -0.383 -0.297 1.134) 1.233 7.517 ( 3.790 -2.110 0.370) 4.353 7.814 ( 5.732 8.363 -3.891) 10.859 8.126 ( -7.516 -7.131 -6.064) 12.004 12.024 ( 0.099 -0.047 1.378) 1.382 12.082 ( -0.906 0.361 3.840) 3.961 12.109 ( 0.122 -0.406 1.471) 1.530 12.177 ( 0.451 -0.092 -1.176) 1.262 12.444 ( 1.224 5.296 -0.016) 5.436 12.480 ( 0.786 2.391 -0.100) 2.519 12.522 ( -1.330 0.528 1.849) 2.338 12.553 ( 1.840 -1.037 0.289) 2.132 12.695 ( -0.727 -3.665 0.421) 3.760 12.721 ( -2.100 -5.397 -2.273) 6.221 13.056 ( 1.161 4.675 -0.977) 4.915 13.172 ( -0.914 -1.753 -1.237) 2.332 15.804 ( 0.077 0.038 0.734) 0.739 15.819 ( -0.243 -0.416 0.888) 1.010 15.842 ( 0.001 -1.250 0.774) 1.470 16.129 ( -0.004 -1.343 -1.639) 2.119 16.236 ( -0.949 2.486 -1.376) 2.996 16.264 ( -1.331 -0.666 0.179) 1.499 16.278 ( 0.411 -1.532 0.058) 1.587 16.346 ( -0.001 -3.113 -0.583) 3.167 16.559 ( 0.643 -1.099 0.822) 1.516 16.631 ( -0.014 0.081 -1.556) 1.559 16.675 ( 1.239 1.860 1.139) 2.509 16.728 ( -0.626 -0.448 1.008) 1.269 16.789 ( -0.438 1.623 2.187) 2.758 16.938 ( -2.019 0.777 -0.489) 2.217 17.033 ( 2.553 -4.005 -1.402) 4.952 17.163 ( -0.627 3.907 -4.011) 5.634 17.216 ( 1.698 1.189 -0.461) 2.124 17.247 ( -0.230 0.173 -0.378) 0.475 27.159 ( 0.091 0.048 0.277) 0.296 27.173 ( -0.421 -0.744 0.206) 0.880 27.211 ( -0.048 -0.414 0.122) 0.435 27.252 ( 0.071 -0.080 -0.110) 0.154 27.272 ( -0.050 0.698 -0.166) 0.719 27.287 ( 0.146 0.041 -0.079) 0.171 29.264 ( 0.480 -1.533 -4.488) 4.767 29.491 ( -3.386 5.256 0.235) 6.257 29.602 ( 4.723 1.009 3.501) 5.965 29.636 ( 1.096 1.419 -0.670) 1.914 29.733 ( -0.922 0.028 0.067) 0.925 29.763 ( 3.112 -4.338 4.222) 6.807 29.787 ( -3.101 -1.740 2.294) 4.231 29.852 ( 2.530 2.055 -4.427) 5.497 29.999 ( -4.247 -5.928 -2.535) 7.720 30.158 ( 1.666 5.661 -0.895) 5.969 30.230 ( -3.746 2.859 -5.346) 7.127 30.331 ( 1.582 -1.891 1.224) 2.753 30.440 ( -0.306 1.228 4.728) 4.895 30.571 ( 1.994 0.818 10.781) 10.994 30.693 ( -2.277 -6.545 8.574) 11.024 31.521 ( 6.561 12.040 -4.192) 14.339 31.827 ( -5.693 -3.563 -5.555) 8.716 31.933 ( 0.537 -5.360 -7.179) 8.976 ======================= Grid point 53 (17/50) ======================= q-point: (-0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -0.247 -4.611 7.027) 8.408 1.248 ( -3.739 -2.837 10.109) 11.146 1.451 ( -13.118 -1.246 4.143) 13.812 1.614 ( -7.335 5.920 6.966) 11.720 1.802 ( -7.215 -2.817 7.012) 10.447 1.951 ( 10.511 -1.121 3.528) 11.144 2.047 ( -4.440 5.801 8.965) 11.564 2.327 ( 2.894 1.334 7.456) 8.108 2.361 ( 1.845 -5.686 5.153) 7.892 2.508 ( 3.565 4.959 -0.187) 6.110 2.585 ( 2.264 -1.251 2.036) 3.292 2.782 ( 7.269 -8.271 3.107) 11.441 2.874 ( -13.829 0.250 8.719) 16.350 3.013 ( -2.382 -0.828 2.923) 3.860 3.090 ( -1.270 7.156 2.515) 7.690 3.207 ( -1.402 -2.019 3.236) 4.064 3.259 ( -0.185 0.962 1.349) 1.667 3.304 ( -2.449 0.630 3.301) 4.159 3.370 ( 8.063 3.222 5.842) 10.465 3.438 ( 1.467 -2.611 1.095) 3.189 3.546 ( -3.828 0.366 2.252) 4.456 3.611 ( -6.701 -0.907 3.796) 7.754 3.729 ( -4.135 3.311 0.336) 5.309 3.834 ( -1.328 3.973 2.247) 4.754 3.883 ( -0.426 0.812 -2.147) 2.335 4.004 ( 0.690 0.995 0.191) 1.226 4.015 ( 1.012 1.266 -2.834) 3.265 4.133 ( 0.121 2.953 -3.669) 4.711 4.146 ( 0.439 -0.311 0.713) 0.894 4.195 ( -2.191 -5.034 3.302) 6.407 4.230 ( 3.047 0.855 0.990) 3.316 4.324 ( 3.428 -0.727 0.548) 3.547 4.367 ( 1.243 0.981 3.693) 4.018 4.452 ( 7.282 -3.652 -1.030) 8.211 4.602 ( 1.631 2.008 -2.170) 3.377 4.718 ( 6.707 0.467 -4.027) 7.837 4.801 ( 2.512 -5.558 -4.649) 7.669 5.035 ( -1.306 2.397 -4.158) 4.974 5.091 ( -1.067 -1.181 -1.160) 1.970 5.170 ( 4.377 -3.577 -1.488) 5.845 5.334 ( -3.382 1.206 -6.609) 7.521 5.387 ( -1.401 -0.014 -4.644) 4.850 5.402 ( -1.840 -2.415 2.574) 3.980 5.481 ( 0.220 -0.028 -4.926) 4.931 5.520 ( 2.472 -1.085 1.151) 2.935 5.655 ( -5.155 4.089 0.984) 6.653 5.814 ( -2.336 -4.911 0.995) 5.528 5.930 ( 7.047 1.920 -3.440) 8.073 6.017 ( -1.458 -0.015 -1.490) 2.085 6.172 ( 0.992 -0.296 -1.853) 2.123 6.209 ( 1.748 -2.295 0.816) 2.998 6.426 ( -3.046 2.166 3.337) 5.010 6.480 ( -1.016 0.703 2.813) 3.072 6.523 ( -1.353 -1.689 -0.460) 2.213 6.595 ( 2.149 2.123 3.106) 4.333 6.631 ( 0.768 -1.502 1.116) 2.023 6.695 ( -3.261 -0.822 -0.717) 3.438 6.801 ( 2.853 2.658 -0.856) 3.992 6.826 ( 0.086 0.242 2.079) 2.095 6.902 ( 3.054 -4.097 0.668) 5.154 7.028 ( -4.125 3.247 4.158) 6.697 7.310 ( -0.878 2.826 -1.511) 3.323 7.354 ( -2.609 -1.955 -1.472) 3.577 7.418 ( 1.628 1.524 -3.109) 3.826 7.458 ( -1.265 1.841 -1.984) 2.988 7.488 ( 0.333 -1.679 2.749) 3.238 7.545 ( 1.109 -2.599 -0.058) 2.826 7.839 ( -9.004 -2.372 -3.155) 9.831 8.108 ( 9.521 4.164 -6.702) 12.365 12.024 ( -0.038 -0.073 1.370) 1.372 12.074 ( -0.321 0.857 2.992) 3.129 12.118 ( 0.840 -0.100 2.903) 3.023 12.171 ( -0.824 -0.250 -1.884) 2.072 12.465 ( -0.129 1.986 1.142) 2.294 12.479 ( -6.634 -1.139 -0.912) 6.792 12.516 ( -0.427 0.604 2.027) 2.158 12.563 ( 1.523 -1.099 0.120) 1.882 12.655 ( 2.525 0.083 -0.855) 2.667 12.745 ( 5.836 -1.566 -1.221) 6.164 13.062 ( -4.036 0.856 -0.644) 4.176 13.169 ( 1.756 0.180 -1.489) 2.309 15.808 ( 0.217 -0.512 1.066) 1.203 15.814 ( 0.049 0.517 0.186) 0.552 15.845 ( 1.422 -0.765 1.280) 2.060 16.126 ( 0.967 -0.565 -1.412) 1.803 16.245 ( -0.573 1.783 -0.979) 2.113 16.262 ( 0.616 0.406 -0.304) 0.798 16.281 ( 1.187 -0.653 -0.041) 1.355 16.331 ( 1.333 -0.915 -0.906) 1.853 16.559 ( 0.596 -1.050 0.849) 1.476 16.632 ( 0.100 -0.025 -1.599) 1.603 16.679 ( -2.319 -0.395 1.030) 2.568 16.725 ( 0.884 0.513 1.010) 1.437 16.782 ( -1.844 1.438 2.267) 3.257 16.946 ( 0.742 2.486 -0.874) 2.737 17.028 ( 1.912 -4.553 -1.067) 5.052 17.171 ( -2.353 2.359 -3.644) 4.938 17.209 ( -2.209 -0.780 -0.793) 2.473 17.250 ( 0.022 0.076 -0.252) 0.264 27.161 ( -0.034 -0.274 0.343) 0.441 27.170 ( 0.748 0.236 0.129) 0.795 27.212 ( 0.431 -0.185 0.124) 0.486 27.252 ( 0.092 -0.142 -0.082) 0.188 27.273 ( -0.491 0.368 -0.142) 0.629 27.286 ( -0.167 -0.090 -0.107) 0.217 29.262 ( 0.807 -1.046 -4.333) 4.530 29.488 ( -3.246 5.472 0.237) 6.367 29.615 ( -3.013 -2.973 0.580) 4.272 29.640 ( -0.805 -1.871 1.607) 2.594 29.698 ( -0.793 0.943 4.179) 4.357 29.764 ( 0.088 -2.432 0.614) 2.510 29.784 ( 2.668 1.830 0.383) 3.258 29.874 ( -1.366 -2.609 -4.458) 5.343 29.988 ( 7.079 1.481 -0.728) 7.269 30.158 ( -5.402 1.701 -2.722) 6.283 30.247 ( 0.536 3.307 0.359) 3.370 30.332 ( 1.675 -2.272 -2.712) 3.914 30.453 ( -0.120 0.520 4.603) 4.634 30.589 ( -1.690 -3.828 11.190) 11.947 30.656 ( 5.115 1.796 8.310) 9.922 31.573 ( -14.557 -4.724 -1.883) 15.419 31.714 ( 3.313 8.828 -8.901) 12.967 31.996 ( 8.133 -3.907 -5.990) 10.830 ======================= Grid point 58 (18/50) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -0.000 -0.000 4.714) 4.714 1.280 ( -0.000 -0.000 9.783) 9.783 1.649 ( -3.778 -7.556 2.752) 8.885 1.649 ( 3.778 7.556 2.752) 8.885 1.853 ( -0.720 -1.440 3.870) 4.191 1.853 ( 0.720 1.440 3.870) 4.191 2.159 ( -0.000 -0.000 8.619) 8.619 2.275 ( -1.619 -3.239 9.840) 10.485 2.275 ( 1.619 3.239 9.840) 10.485 2.548 ( -0.514 -1.029 0.746) 1.371 2.548 ( 0.514 1.029 0.746) 1.371 2.599 ( 0.000 -0.000 3.796) 3.796 3.050 ( -0.000 0.000 2.884) 2.884 3.131 ( 0.000 0.000 8.237) 8.237 3.146 ( -1.815 -3.630 0.683) 4.116 3.146 ( 1.815 3.630 0.683) 4.116 3.255 ( -0.542 -1.084 4.662) 4.816 3.255 ( 0.542 1.084 4.662) 4.816 3.379 ( -1.396 -2.792 -0.120) 3.124 3.379 ( 1.396 2.792 -0.120) 3.124 3.563 ( 0.000 -0.000 4.439) 4.439 3.767 ( 0.000 -0.000 -1.136) 1.136 3.828 ( 0.000 -0.000 1.897) 1.897 3.849 ( -1.734 -3.469 5.233) 6.514 3.849 ( 1.734 3.469 5.233) 6.514 4.007 ( -0.964 -1.927 -0.525) 2.218 4.007 ( 0.964 1.927 -0.525) 2.218 4.119 ( -1.124 -2.249 5.217) 5.791 4.119 ( 1.124 2.249 5.217) 5.791 4.177 ( -0.000 -0.000 -4.816) 4.816 4.211 ( -0.000 -0.000 -1.183) 1.183 4.255 ( -2.415 -4.830 2.450) 5.930 4.255 ( 2.415 4.830 2.450) 5.930 4.562 ( -2.558 -5.115 -6.711) 8.817 4.562 ( 2.558 5.115 -6.711) 8.817 4.644 ( -0.000 -0.000 -6.426) 6.426 4.729 ( -0.000 -0.000 2.273) 2.273 5.086 ( -0.846 -1.693 -2.130) 2.849 5.086 ( 0.846 1.693 -2.130) 2.849 5.096 ( -0.000 -0.000 -4.987) 4.987 5.388 ( -0.583 -1.166 -5.365) 5.521 5.388 ( 0.583 1.166 -5.365) 5.521 5.444 ( -1.919 -3.839 2.572) 5.003 5.444 ( 1.919 3.839 2.572) 5.003 5.484 ( 0.000 -0.000 -5.866) 5.866 5.795 ( 0.000 -0.000 -0.914) 0.914 5.803 ( -2.578 -5.155 0.225) 5.768 5.803 ( 2.578 5.155 0.225) 5.768 6.041 ( -0.000 -0.000 -0.774) 0.774 6.172 ( -0.351 -0.701 -0.661) 1.025 6.172 ( 0.351 0.701 -0.661) 1.025 6.496 ( -0.930 -1.860 -0.666) 2.183 6.496 ( 0.930 1.860 -0.666) 2.183 6.499 ( -0.000 0.000 5.784) 5.784 6.598 ( -0.298 -0.597 1.503) 1.644 6.598 ( 0.298 0.597 1.503) 1.644 6.770 ( -1.300 -2.600 0.316) 2.924 6.770 ( 1.300 2.600 0.316) 2.924 6.799 ( 0.000 -0.000 1.036) 1.036 6.834 ( -0.000 -0.000 -1.605) 1.605 7.089 ( -0.000 -0.000 5.154) 5.154 7.359 ( -0.860 -1.719 -1.950) 2.738 7.359 ( 0.860 1.719 -1.950) 2.738 7.408 ( -0.000 -0.000 -2.721) 2.721 7.483 ( -0.000 0.000 -2.127) 2.127 7.495 ( -0.574 -1.149 2.203) 2.550 7.495 ( 0.574 1.149 2.203) 2.550 7.974 ( -3.348 -6.695 -4.959) 8.979 7.974 ( 3.348 6.695 -4.959) 8.979 12.021 ( -0.000 -0.000 0.065) 0.065 12.097 ( -0.508 -1.015 4.160) 4.313 12.097 ( 0.508 1.015 4.160) 4.313 12.177 ( -0.000 -0.000 -3.467) 3.467 12.478 ( -0.000 -0.000 3.742) 3.742 12.533 ( -0.293 -0.587 -0.597) 0.887 12.533 ( 0.293 0.587 -0.597) 0.887 12.602 ( -2.834 -5.668 -1.038) 6.421 12.602 ( 2.834 5.668 -1.038) 6.421 12.641 ( -0.000 -0.000 0.321) 0.321 13.130 ( -1.230 -2.459 -1.027) 2.935 13.130 ( 1.230 2.459 -1.027) 2.935 15.804 ( 0.000 -0.000 1.499) 1.499 15.823 ( -0.313 -0.626 -0.040) 0.701 15.823 ( 0.313 0.626 -0.040) 0.701 16.118 ( -0.000 -0.000 -1.322) 1.322 16.258 ( -0.238 -0.475 -0.203) 0.569 16.258 ( 0.238 0.475 -0.203) 0.569 16.290 ( -1.099 -2.197 -0.799) 2.583 16.290 ( 1.099 2.197 -0.799) 2.583 16.545 ( -0.000 -0.000 1.193) 1.193 16.630 ( -0.000 -0.000 -1.803) 1.803 16.709 ( -0.585 -1.170 1.097) 1.707 16.709 ( 0.585 1.170 1.097) 1.707 16.811 ( -0.000 -0.000 2.428) 2.428 16.967 ( -0.988 -1.977 -0.925) 2.396 16.967 ( 0.988 1.977 -0.925) 2.396 17.203 ( -0.000 -0.000 -4.361) 4.361 17.239 ( -0.505 -1.010 -0.314) 1.172 17.239 ( 0.505 1.010 -0.314) 1.172 27.162 ( -0.123 -0.246 0.266) 0.382 27.162 ( 0.123 0.246 0.266) 0.382 27.206 ( 0.000 -0.000 0.075) 0.075 27.251 ( -0.000 -0.000 -0.089) 0.089 27.283 ( -0.165 -0.331 -0.118) 0.388 27.283 ( 0.165 0.331 -0.118) 0.388 29.251 ( -0.000 -0.000 -4.877) 4.877 29.595 ( -1.533 -3.067 2.230) 4.090 29.595 ( 1.533 3.067 2.230) 4.090 29.651 ( -0.000 -0.000 0.636) 0.636 29.680 ( -0.000 -0.000 3.366) 3.366 29.756 ( -0.447 -0.893 1.019) 1.427 29.756 ( 0.447 0.893 1.019) 1.427 29.901 ( -1.336 -2.671 -4.794) 5.648 29.901 ( 1.336 2.671 -4.794) 5.648 30.230 ( -0.000 -0.000 -0.126) 0.126 30.286 ( -1.173 -2.347 -2.112) 3.368 30.286 ( 1.173 2.347 -2.112) 3.368 30.463 ( -0.000 -0.000 2.558) 2.558 30.591 ( -0.874 -1.748 11.372) 11.538 30.591 ( 0.874 1.748 11.372) 11.538 31.728 ( 0.000 -0.000 -5.576) 5.576 31.792 ( -3.548 -7.096 -5.319) 9.552 31.792 ( 3.548 7.096 -5.319) 9.552 ======================= Grid point 63 (19/50) ======================= q-point: (-0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -2.847 10.463 9.925) 14.699 1.055 ( -10.182 25.151 7.686) 28.202 1.337 ( -10.843 6.993 11.123) 17.035 1.443 ( 3.710 7.585 14.884) 17.112 1.670 ( -8.469 13.115 8.732) 17.888 1.844 ( -4.992 7.335 6.249) 10.852 2.077 ( -14.860 15.174 18.275) 28.019 2.383 ( 6.039 -5.040 6.684) 10.322 2.448 ( 7.061 -9.467 5.165) 12.891 2.600 ( -1.147 -6.792 1.356) 7.020 2.650 ( 5.523 -11.426 3.646) 13.204 2.821 ( 2.865 -2.018 5.061) 6.156 2.852 ( 6.518 -5.794 3.369) 9.349 3.024 ( 0.326 3.835 0.734) 3.918 3.074 ( -0.637 -2.854 4.874) 5.684 3.206 ( -4.491 -0.391 -3.607) 5.773 3.229 ( -0.364 -2.919 -0.465) 2.978 3.265 ( -2.449 2.052 4.213) 5.288 3.341 ( 4.318 0.408 2.848) 5.189 3.415 ( 3.515 0.520 0.500) 3.588 3.474 ( 0.876 1.674 1.481) 2.400 3.584 ( -5.096 -0.398 2.911) 5.882 3.642 ( -0.358 1.432 -1.369) 2.013 3.736 ( 0.290 4.001 -2.533) 4.744 3.813 ( -2.993 4.351 -0.026) 5.281 3.969 ( 2.738 -5.339 -0.119) 6.001 4.039 ( 0.889 -0.744 -1.302) 1.743 4.049 ( -1.675 -0.948 -6.892) 7.155 4.123 ( -1.656 1.361 -5.970) 6.343 4.204 ( 2.282 0.428 3.549) 4.241 4.226 ( -2.507 3.754 1.274) 4.691 4.383 ( 2.023 -2.381 3.378) 4.602 4.449 ( 0.345 -6.010 3.206) 6.820 4.507 ( 5.106 -10.361 -3.562) 12.088 4.857 ( 3.423 -0.212 -0.925) 3.552 4.911 ( -0.617 0.012 -3.448) 3.503 4.934 ( 8.650 4.489 -2.583) 10.082 4.991 ( -0.587 -1.638 -3.359) 3.783 5.095 ( -3.589 -4.897 0.635) 6.104 5.208 ( -4.683 0.417 -6.209) 7.788 5.283 ( 3.457 0.455 -1.057) 3.643 5.334 ( 1.638 1.521 -0.212) 2.245 5.389 ( -0.912 0.004 -2.414) 2.581 5.468 ( -2.785 0.131 -0.132) 2.791 5.524 ( -2.706 3.692 -1.512) 4.821 5.652 ( -4.870 1.368 2.441) 5.617 5.773 ( 1.044 3.076 3.697) 4.921 6.004 ( -1.375 9.618 -4.134) 10.558 6.046 ( 0.773 -5.488 -4.531) 7.159 6.246 ( -2.270 0.750 -2.621) 3.547 6.295 ( 2.275 1.673 0.989) 2.992 6.339 ( -3.391 -0.534 2.054) 4.000 6.406 ( 0.838 3.977 0.292) 4.075 6.495 ( -0.197 0.966 4.177) 4.292 6.609 ( -0.733 1.361 -3.228) 3.579 6.641 ( 0.297 2.114 -1.391) 2.548 6.722 ( -0.557 -5.935 7.412) 9.512 6.773 ( -0.714 -1.029 2.014) 2.371 6.803 ( 2.196 -0.059 4.985) 5.448 6.862 ( 2.605 -3.377 1.345) 4.472 7.043 ( -1.327 -1.768 2.987) 3.716 7.302 ( -2.086 1.343 -3.936) 4.653 7.354 ( 2.588 -0.226 -2.597) 3.673 7.364 ( -0.863 1.547 -5.061) 5.362 7.448 ( -1.082 0.400 -1.170) 1.643 7.516 ( 1.257 -2.956 1.827) 3.696 7.615 ( 0.572 3.133 3.177) 4.498 7.636 ( -3.174 5.120 -1.487) 6.204 8.234 ( 5.072 -10.008 -10.777) 15.557 12.011 ( 0.148 -0.673 2.405) 2.502 12.061 ( 0.601 -0.212 1.030) 1.212 12.117 ( -0.070 -1.640 2.264) 2.797 12.214 ( -2.171 1.410 0.317) 2.608 12.302 ( -1.449 7.829 0.201) 7.965 12.446 ( 1.783 -3.879 -0.261) 4.277 12.547 ( 0.279 -1.111 1.686) 2.039 12.580 ( 1.670 0.530 1.274) 2.166 12.725 ( -0.300 -3.673 -1.356) 3.926 12.833 ( 2.018 -2.844 -1.650) 3.858 12.957 ( -2.215 6.283 -0.847) 6.715 13.216 ( 1.018 -2.501 -2.170) 3.464 15.808 ( 0.299 -0.261 0.545) 0.674 15.834 ( -0.654 0.409 1.431) 1.625 15.899 ( 2.036 -2.406 4.058) 5.138 16.190 ( 1.646 -0.895 -0.712) 2.005 16.214 ( 0.577 0.757 -2.229) 2.424 16.291 ( 1.850 -2.452 -0.829) 3.181 16.330 ( 0.129 -1.533 0.809) 1.739 16.411 ( -2.187 -4.395 2.179) 5.371 16.533 ( 1.281 -0.878 -0.873) 1.782 16.601 ( -0.912 2.583 0.271) 2.753 16.636 ( -1.488 1.424 -0.567) 2.136 16.727 ( -0.193 0.516 1.232) 1.350 16.757 ( 0.805 -1.057 0.599) 1.457 16.944 ( -0.946 -1.967 -2.839) 3.581 17.020 ( 2.378 0.261 -1.561) 2.857 17.153 ( -2.127 3.445 -2.104) 4.562 17.169 ( -1.499 2.993 0.016) 3.348 17.236 ( -1.332 2.172 -1.065) 2.762 27.163 ( 0.258 -0.240 0.408) 0.539 27.194 ( 0.485 -1.182 0.098) 1.282 27.219 ( 0.275 -0.398 0.134) 0.502 27.253 ( 0.207 0.211 -0.104) 0.313 27.263 ( -0.226 0.406 -0.116) 0.479 27.275 ( -0.431 0.473 -0.232) 0.681 29.359 ( 0.807 0.274 -3.298) 3.407 29.442 ( -7.313 -0.548 -2.267) 7.676 29.487 ( 3.639 4.046 2.334) 5.921 29.589 ( 0.553 0.376 0.092) 0.675 29.708 ( -3.288 0.500 -0.738) 3.407 29.738 ( 0.329 1.103 0.426) 1.228 29.829 ( -0.285 -1.597 -1.290) 2.072 29.902 ( 0.180 0.628 -0.972) 1.171 29.968 ( 0.965 1.041 4.362) 4.587 30.146 ( -1.523 1.374 -3.035) 3.664 30.316 ( 2.324 -4.251 -1.137) 4.977 30.373 ( 2.025 1.161 5.337) 5.825 30.422 ( 2.645 -1.818 2.610) 4.136 30.554 ( 1.701 -2.011 8.095) 8.513 30.769 ( -0.291 -5.454 6.728) 8.666 31.292 ( -5.392 13.724 0.099) 14.745 31.775 ( -6.229 0.559 -14.888) 16.149 32.106 ( 7.207 -5.752 -3.989) 10.046 ======================= Grid point 70 (20/50) ======================= q-point: (-0.33 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -4.818 1.136 4.854) 6.933 1.452 ( 1.772 8.806 16.199) 18.523 1.513 ( -11.042 23.593 -1.051) 26.070 1.588 ( -6.070 11.016 9.864) 15.984 1.878 ( 0.065 13.571 15.177) 20.359 1.975 ( 10.344 -12.314 10.125) 19.004 2.040 ( -3.232 5.614 5.241) 8.333 2.279 ( 0.318 -10.374 4.357) 11.256 2.362 ( 7.786 -11.697 5.142) 14.962 2.471 ( -5.930 -1.411 4.907) 7.825 2.567 ( -2.253 -12.302 -3.723) 13.049 2.704 ( 4.680 -5.900 5.520) 9.337 2.928 ( -10.961 10.864 4.063) 15.959 3.011 ( 2.027 -1.744 -2.892) 3.939 3.067 ( 4.266 0.987 0.783) 4.448 3.188 ( 2.061 6.306 3.418) 7.463 3.246 ( 5.136 5.380 1.866) 7.668 3.298 ( -2.053 0.981 -0.960) 2.469 3.365 ( -6.347 -0.748 7.781) 10.069 3.412 ( 0.379 1.172 3.245) 3.471 3.467 ( -1.630 -4.771 1.187) 5.179 3.595 ( -0.204 -0.795 3.618) 3.710 3.694 ( -0.728 -1.340 -3.820) 4.114 3.724 ( -0.428 -0.520 -4.173) 4.227 3.861 ( 2.625 -2.001 1.745) 3.734 3.914 ( -2.626 -1.120 -0.532) 2.904 3.993 ( 2.031 -4.484 2.215) 5.398 4.054 ( -0.672 -0.847 -3.602) 3.760 4.123 ( 0.678 -1.772 -5.607) 5.919 4.161 ( -0.021 -2.417 -5.797) 6.280 4.238 ( 1.477 0.654 1.019) 1.909 4.302 ( 2.765 -1.202 2.828) 4.134 4.374 ( -0.982 -7.629 4.110) 8.721 4.545 ( -6.335 6.921 2.576) 9.730 4.724 ( 11.605 3.291 3.992) 12.706 4.880 ( 2.388 6.139 1.082) 6.675 4.942 ( -0.302 2.306 -6.866) 7.249 4.987 ( -0.097 -0.499 -5.282) 5.306 5.068 ( 0.401 -6.262 0.225) 6.279 5.218 ( 0.233 -0.230 -2.844) 2.863 5.294 ( -4.123 -1.910 -3.017) 5.454 5.342 ( 0.049 -3.224 -3.776) 4.966 5.409 ( -2.249 1.703 0.232) 2.831 5.510 ( -1.485 -0.995 0.708) 1.923 5.550 ( 1.378 0.524 -4.196) 4.447 5.718 ( 2.336 4.893 4.096) 6.796 5.831 ( -4.955 3.226 2.764) 6.526 5.948 ( 3.916 -3.661 -0.292) 5.369 6.118 ( 0.749 7.742 -1.641) 7.949 6.279 ( 1.636 1.306 1.658) 2.670 6.293 ( -2.469 0.863 1.199) 2.877 6.351 ( 1.229 -0.511 3.147) 3.417 6.450 ( -1.366 4.413 3.117) 5.573 6.511 ( 0.074 1.216 1.260) 1.753 6.625 ( 2.455 1.758 0.398) 3.046 6.657 ( -0.984 0.275 -4.125) 4.249 6.683 ( -1.518 -2.600 2.811) 4.119 6.753 ( 0.051 -2.437 2.834) 3.738 6.788 ( -0.060 -2.227 3.595) 4.229 6.813 ( -0.471 -2.533 -0.889) 2.726 7.031 ( -0.118 -2.622 3.233) 4.164 7.322 ( -0.047 0.462 -1.782) 1.841 7.363 ( 0.111 3.516 -4.167) 5.453 7.386 ( -0.456 0.426 -3.867) 3.917 7.444 ( 2.264 -0.812 -2.531) 3.492 7.486 ( -1.757 -1.214 1.127) 2.415 7.640 ( -0.268 2.260 2.701) 3.532 7.767 ( -5.696 4.828 -5.072) 9.027 8.025 ( 6.106 -10.236 -9.407) 15.184 12.005 ( -0.231 -0.774 -0.105) 0.814 12.057 ( 0.000 0.284 2.758) 2.773 12.099 ( 0.005 -1.699 2.694) 3.185 12.242 ( 1.006 2.524 0.440) 2.753 12.386 ( -0.051 -1.156 -0.622) 1.313 12.423 ( -3.246 3.123 -1.966) 4.915 12.533 ( 0.454 -0.207 1.325) 1.416 12.586 ( -0.098 1.803 1.134) 2.132 12.695 ( -1.022 -3.809 -0.021) 3.944 12.739 ( 3.356 -4.216 -0.998) 5.480 13.049 ( -1.400 4.942 -1.229) 5.281 13.178 ( 0.996 -1.774 -1.130) 2.327 15.799 ( 0.153 -0.372 0.698) 0.806 15.849 ( 0.141 1.053 1.610) 1.929 15.873 ( 0.390 0.196 1.819) 1.871 16.164 ( 0.030 -0.929 0.386) 1.006 16.214 ( 1.234 2.014 -2.154) 3.197 16.247 ( 0.598 -0.955 -0.798) 1.380 16.305 ( 0.793 -0.300 0.637) 1.061 16.391 ( 1.166 -1.984 0.899) 2.470 16.515 ( -1.573 -2.878 -1.180) 3.485 16.650 ( -1.684 1.961 0.343) 2.608 16.656 ( -0.135 -0.036 -0.300) 0.331 16.718 ( 0.778 -1.342 0.650) 1.682 16.751 ( -0.054 0.996 0.699) 1.218 16.932 ( 1.568 -0.056 -1.616) 2.253 17.006 ( -2.389 -2.650 -1.939) 4.061 17.197 ( 0.681 3.552 -1.805) 4.042 17.225 ( -1.505 1.558 -0.266) 2.182 17.255 ( 0.336 0.384 -0.339) 0.613 27.161 ( -0.117 0.131 0.340) 0.383 27.175 ( 0.567 -0.666 0.305) 0.926 27.213 ( 0.005 -0.406 0.241) 0.472 27.254 ( -0.084 0.112 -0.114) 0.181 27.269 ( 0.101 0.520 -0.255) 0.588 27.283 ( -0.254 -0.081 -0.230) 0.353 29.351 ( -0.215 -0.305 -3.456) 3.476 29.445 ( 4.639 5.027 -0.062) 6.840 29.577 ( 0.131 -1.036 -2.051) 2.302 29.601 ( -8.929 -0.591 1.820) 9.132 29.695 ( 2.617 -1.641 4.452) 5.419 29.754 ( -0.039 0.434 0.956) 1.051 29.814 ( -1.326 -2.717 1.056) 3.202 29.925 ( -0.382 2.974 -4.072) 5.057 29.992 ( 0.868 0.779 -0.560) 1.294 30.182 ( 1.800 1.112 -0.730) 2.237 30.198 ( 1.100 0.292 -4.190) 4.342 30.361 ( 0.417 -0.869 5.536) 5.619 30.410 ( 0.442 0.506 0.543) 0.864 30.538 ( -1.894 -0.013 9.215) 9.407 30.699 ( 1.410 -5.937 8.392) 10.376 31.523 ( -6.119 11.884 -3.911) 13.927 31.825 ( 4.747 -3.426 -5.981) 8.369 31.930 ( -0.021 -5.506 -6.980) 8.891 ======================= Grid point 71 (21/50) ======================= q-point: (-0.17 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 2.016 4.041 5.592) 7.188 1.457 ( -12.006 3.479 9.708) 15.827 1.543 ( -8.883 20.473 7.241) 23.462 1.639 ( -0.047 11.066 12.695) 16.841 1.810 ( -12.090 -1.741 8.528) 14.897 1.969 ( -2.307 0.578 10.159) 10.433 2.111 ( -0.065 -2.673 6.165) 6.720 2.226 ( 3.508 -6.702 7.618) 10.736 2.313 ( 7.621 -6.756 0.034) 10.184 2.500 ( 0.704 0.567 3.929) 4.032 2.545 ( 12.306 -2.072 1.946) 12.630 2.716 ( 4.811 -7.921 4.596) 10.345 2.879 ( -4.901 8.492 0.458) 9.815 3.013 ( 2.071 0.470 -1.477) 2.587 3.132 ( -1.831 -3.714 -0.541) 4.176 3.185 ( -10.806 1.490 4.310) 11.729 3.251 ( -2.178 5.573 3.461) 6.913 3.291 ( 0.270 0.816 0.937) 1.271 3.358 ( 2.835 1.259 4.136) 5.170 3.434 ( 3.976 0.711 3.122) 5.105 3.493 ( 4.013 -2.276 3.275) 5.658 3.562 ( -1.835 0.453 4.703) 5.068 3.652 ( -2.347 0.972 -4.429) 5.106 3.764 ( 3.296 -1.378 -4.724) 5.922 3.848 ( 0.272 -2.544 -1.235) 2.840 3.921 ( 2.095 2.216 3.678) 4.778 3.995 ( 2.605 -3.935 -1.324) 4.901 4.058 ( 0.380 1.624 -4.150) 4.473 4.111 ( 2.377 -3.146 -2.493) 4.665 4.139 ( -0.493 -0.524 -6.675) 6.713 4.276 ( 2.406 -2.522 -0.400) 3.509 4.304 ( 0.064 -3.583 5.767) 6.790 4.358 ( 5.118 -1.322 3.963) 6.607 4.505 ( -6.591 8.242 2.002) 10.741 4.776 ( -3.798 -8.240 2.941) 9.538 4.924 ( -3.578 -0.035 -4.094) 5.437 4.957 ( -3.885 -2.993 -2.932) 5.714 4.993 ( -0.175 -0.178 -3.816) 3.824 5.005 ( 5.104 1.450 2.049) 5.688 5.226 ( 0.850 -0.141 -5.876) 5.939 5.277 ( 4.116 2.352 -1.166) 4.882 5.353 ( 2.378 -2.284 -3.762) 5.002 5.417 ( 0.120 3.654 1.323) 3.888 5.486 ( -0.466 0.783 -1.824) 2.039 5.558 ( -0.249 -0.670 -3.165) 3.245 5.687 ( -7.773 2.806 3.410) 8.940 5.849 ( 0.876 4.476 3.163) 5.550 5.944 ( 0.533 -5.063 0.266) 5.098 6.129 ( -5.878 2.318 -2.143) 6.672 6.261 ( -2.360 0.959 0.634) 2.625 6.314 ( 0.998 1.325 4.771) 5.052 6.339 ( -1.061 -1.125 1.146) 1.925 6.467 ( -1.256 2.529 1.182) 3.061 6.551 ( 1.621 -0.053 1.528) 2.228 6.583 ( -4.060 -1.017 5.193) 6.670 6.655 ( -0.062 0.130 -3.053) 3.056 6.681 ( 0.820 1.588 -2.052) 2.721 6.759 ( 2.985 -1.122 1.920) 3.722 6.782 ( 1.807 -1.332 3.009) 3.755 6.815 ( 2.058 -0.997 0.769) 2.413 7.018 ( 0.981 -0.368 2.827) 3.015 7.333 ( 0.693 0.591 -3.061) 3.193 7.346 ( -4.055 1.450 -2.041) 4.766 7.398 ( 1.064 -0.803 -2.709) 3.020 7.442 ( -1.714 -0.744 -3.048) 3.575 7.480 ( 1.854 0.604 0.342) 1.980 7.652 ( -1.246 0.663 2.423) 2.804 7.769 ( -0.174 7.434 -4.004) 8.445 8.019 ( 4.932 -10.292 -10.276) 15.358 12.003 ( 0.593 -0.082 -0.135) 0.614 12.061 ( 0.016 -0.045 3.228) 3.229 12.094 ( 1.013 -0.529 1.960) 2.269 12.236 ( -3.061 0.820 0.384) 3.193 12.389 ( 1.844 -1.487 -0.288) 2.386 12.445 ( 0.035 4.549 -0.655) 4.596 12.543 ( 1.245 0.645 -0.250) 1.424 12.570 ( -2.944 -1.201 1.024) 3.341 12.670 ( 1.852 -0.533 0.030) 1.927 12.754 ( 3.008 -4.412 -0.692) 5.385 13.061 ( -2.611 3.273 -0.946) 4.293 13.171 ( 0.539 -1.641 -1.287) 2.154 15.800 ( 0.373 -0.383 0.648) 0.840 15.844 ( -1.293 0.575 1.316) 1.932 15.877 ( -0.023 -0.450 2.200) 2.246 16.171 ( 1.585 -0.891 0.307) 1.844 16.217 ( -2.113 -0.521 -1.318) 2.544 16.254 ( 0.904 -1.232 -1.140) 1.906 16.304 ( -0.953 -0.600 0.968) 1.485 16.361 ( -0.527 -0.077 -0.333) 0.628 16.521 ( 3.315 -0.484 -0.982) 3.491 16.645 ( -0.648 1.344 -0.412) 1.548 16.662 ( -0.040 1.288 0.575) 1.411 16.719 ( 0.719 -1.417 0.551) 1.682 16.753 ( -0.721 0.419 0.595) 1.024 16.916 ( -1.262 -0.341 -1.348) 1.878 17.022 ( 4.199 -0.382 -1.912) 4.630 17.198 ( -3.411 1.200 -2.152) 4.208 17.224 ( -0.713 1.992 -0.219) 2.127 17.255 ( -0.451 -0.012 -0.090) 0.460 27.163 ( 0.117 0.194 0.400) 0.460 27.173 ( 0.094 -0.832 0.203) 0.862 27.213 ( 0.356 -0.214 0.271) 0.496 27.256 ( 0.158 0.008 -0.062) 0.170 27.269 ( -0.564 0.185 -0.232) 0.637 27.282 ( 0.150 0.224 -0.281) 0.389 29.357 ( 1.438 -0.354 -2.977) 3.324 29.429 ( -8.479 -0.126 -0.649) 8.504 29.558 ( 1.917 1.905 -0.728) 2.799 29.611 ( 3.462 2.888 1.185) 4.661 29.723 ( 0.634 -0.176 2.527) 2.612 29.758 ( 0.410 -3.279 1.280) 3.544 29.793 ( 1.558 2.397 1.650) 3.301 29.937 ( -0.972 2.853 -2.669) 4.026 29.966 ( -2.856 -1.911 -1.827) 3.892 30.169 ( -1.982 0.554 -2.049) 2.904 30.238 ( 1.094 -2.895 -1.797) 3.579 30.371 ( 1.921 -1.691 4.500) 5.177 30.397 ( -1.203 0.272 1.269) 1.770 30.562 ( 2.402 1.543 8.440) 8.910 30.669 ( 1.814 -3.377 8.602) 9.418 31.578 ( -3.217 14.746 -1.704) 15.188 31.707 ( -5.855 -6.940 -8.982) 12.772 31.995 ( 7.448 -5.270 -6.097) 10.973 ======================= Grid point 76 (22/50) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 0.000 6.044) 6.044 1.640 ( 0.000 0.000 20.292) 20.292 1.736 ( -2.378 -4.756 6.592) 8.469 1.736 ( 2.378 4.756 6.592) 8.469 1.875 ( 0.000 0.000 -2.575) 2.575 2.095 ( -2.544 -5.089 15.957) 16.941 2.095 ( 2.544 5.089 15.957) 16.941 2.147 ( -2.447 -4.894 0.602) 5.504 2.147 ( 2.447 4.894 0.602) 5.504 2.335 ( -0.000 0.000 0.575) 0.575 2.542 ( -2.851 -5.701 2.291) 6.774 2.542 ( 2.851 5.701 2.291) 6.774 2.986 ( 0.000 0.000 -1.577) 1.577 3.073 ( -2.165 -4.330 -2.786) 5.586 3.073 ( 2.165 4.330 -2.786) 5.586 3.284 ( 0.000 0.000 -0.559) 0.559 3.317 ( -0.344 -0.688 2.416) 2.535 3.317 ( 0.344 0.688 2.416) 2.535 3.389 ( -0.000 0.000 2.546) 2.546 3.394 ( -1.328 -2.656 7.737) 8.287 3.394 ( 1.328 2.656 7.737) 8.287 3.610 ( -0.000 0.000 2.070) 2.070 3.696 ( -0.880 -1.760 -5.537) 5.876 3.696 ( 0.880 1.760 -5.537) 5.876 3.821 ( 0.000 0.000 0.230) 0.230 3.913 ( -0.313 -0.626 4.670) 4.723 3.913 ( 0.313 0.626 4.670) 4.723 4.092 ( -1.427 -2.855 -5.766) 6.591 4.092 ( 1.427 2.855 -5.766) 6.591 4.104 ( 0.000 0.000 -7.591) 7.591 4.250 ( 0.000 0.000 0.116) 0.116 4.286 ( -0.239 -0.479 4.959) 4.988 4.286 ( 0.239 0.479 4.959) 4.988 4.636 ( 0.000 0.000 1.585) 1.585 4.836 ( -3.596 -7.192 4.626) 9.277 4.836 ( 3.596 7.192 4.626) 9.277 4.982 ( -0.436 -0.872 -7.222) 7.287 4.982 ( 0.436 0.872 -7.222) 7.287 5.010 ( 0.000 0.000 4.135) 4.135 5.214 ( 0.000 0.000 -1.687) 1.687 5.283 ( -1.095 -2.190 -5.372) 5.904 5.283 ( 1.095 2.190 -5.372) 5.904 5.461 ( -1.293 -2.587 0.842) 3.012 5.461 ( 1.293 2.587 0.842) 3.012 5.558 ( 0.000 0.000 -6.492) 6.492 5.833 ( -2.202 -4.404 1.801) 5.243 5.833 ( 2.202 4.404 1.801) 5.243 5.891 ( -0.000 0.000 7.067) 7.067 6.208 ( 0.000 0.000 0.502) 0.502 6.295 ( -0.258 -0.516 3.861) 3.904 6.295 ( 0.258 0.516 3.861) 3.904 6.337 ( 0.000 0.000 3.686) 3.686 6.518 ( -0.865 -1.731 0.749) 2.075 6.518 ( 0.865 1.731 0.749) 2.075 6.653 ( -0.000 0.000 -7.246) 7.246 6.664 ( 0.000 0.000 -3.924) 3.924 6.681 ( -1.575 -3.149 4.484) 5.701 6.681 ( 1.575 3.149 4.484) 5.701 6.775 ( -0.512 -1.024 1.186) 1.648 6.775 ( 0.512 1.024 1.186) 1.648 6.999 ( 0.000 0.000 3.520) 3.520 7.348 ( -1.056 -2.112 -2.152) 3.195 7.348 ( 1.056 2.112 -2.152) 3.195 7.442 ( -1.290 -2.580 -2.063) 3.546 7.442 ( 1.290 2.580 -2.063) 3.546 7.458 ( -0.000 0.000 -4.502) 4.502 7.658 ( 0.000 0.000 5.390) 5.390 7.863 ( -2.649 -5.297 -8.599) 10.441 7.863 ( 2.649 5.297 -8.599) 10.441 11.997 ( 0.000 0.000 -1.427) 1.427 12.071 ( -0.454 -0.908 3.237) 3.393 12.071 ( 0.454 0.908 3.237) 3.393 12.272 ( 0.000 0.000 0.108) 0.108 12.364 ( 0.000 0.000 -0.098) 0.098 12.496 ( -1.418 -2.836 -1.713) 3.604 12.496 ( 1.418 2.836 -1.713) 3.604 12.644 ( -0.000 0.000 0.762) 0.762 12.653 ( -1.933 -3.867 0.836) 4.403 12.653 ( 1.933 3.867 0.836) 4.403 13.131 ( -1.363 -2.725 -1.092) 3.237 13.131 ( 1.363 2.725 -1.092) 3.237 15.795 ( 0.000 0.000 0.744) 0.744 15.868 ( -0.349 -0.699 1.701) 1.872 15.868 ( 0.349 0.699 1.701) 1.872 16.154 ( 0.000 0.000 0.645) 0.645 16.234 ( -0.268 -0.536 -1.241) 1.379 16.234 ( 0.268 0.536 -1.241) 1.379 16.338 ( -1.237 -2.474 0.868) 2.899 16.338 ( 1.237 2.474 0.868) 2.899 16.484 ( 0.000 0.000 -1.765) 1.765 16.653 ( 0.000 0.000 -0.692) 0.692 16.688 ( -0.742 -1.485 0.389) 1.705 16.688 ( 0.742 1.485 0.389) 1.705 16.765 ( 0.000 0.000 0.244) 0.244 16.955 ( -1.140 -2.280 -1.404) 2.910 16.955 ( 1.140 2.280 -1.404) 2.910 17.235 ( 0.000 0.000 -2.583) 2.583 17.249 ( -0.433 -0.866 0.083) 0.972 17.249 ( 0.433 0.866 0.083) 0.972 27.165 ( -0.127 -0.253 0.364) 0.461 27.165 ( 0.127 0.253 0.364) 0.461 27.208 ( -0.000 0.000 0.241) 0.241 27.255 ( 0.000 0.000 -0.024) 0.024 27.278 ( -0.168 -0.336 -0.304) 0.484 27.278 ( 0.168 0.336 -0.304) 0.484 29.344 ( 0.000 0.000 -3.385) 3.385 29.555 ( -0.000 0.000 -2.298) 2.298 29.559 ( -1.863 -3.726 1.025) 4.289 29.559 ( 1.863 3.725 1.025) 4.289 29.673 ( 0.000 0.000 5.007) 5.007 29.769 ( -0.562 -1.124 0.952) 1.577 29.769 ( 0.562 1.124 0.952) 1.577 29.979 ( -0.634 -1.267 -3.457) 3.736 29.979 ( 0.634 1.267 -3.457) 3.736 30.200 ( -0.396 -0.792 -1.880) 2.078 30.200 ( 0.396 0.792 -1.880) 2.078 30.341 ( 0.000 0.000 5.724) 5.724 30.422 ( 0.000 0.000 -1.309) 1.309 30.586 ( -1.964 -3.928 9.728) 10.674 30.586 ( 1.964 3.928 9.728) 10.674 31.728 ( -0.000 0.000 -5.668) 5.668 31.790 ( -3.570 -7.140 -5.285) 9.573 31.790 ( 3.570 7.140 -5.285) 9.573 ======================= Grid point 86 (23/50) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 -0.000 20.640) 20.640 1.096 ( -0.000 0.000 20.640) 20.640 1.396 ( 0.000 0.000 11.853) 11.853 1.396 ( 0.000 0.000 11.853) 11.853 1.695 ( 0.000 0.000 13.336) 13.336 1.695 ( 0.000 0.000 13.336) 13.336 2.292 ( 0.000 0.000 51.225) 51.225 2.633 ( 0.000 -0.000 -5.300) 5.300 2.633 ( 0.000 0.000 -5.300) 5.300 2.801 ( 0.000 0.000 5.290) 5.290 2.982 ( 0.000 0.000 -1.443) 1.443 2.982 ( 0.000 0.000 -1.443) 1.443 3.000 ( -0.000 0.000 3.206) 3.206 3.233 ( 0.000 0.000 0.463) 0.463 3.243 ( 0.000 0.000 10.640) 10.640 3.243 ( 0.000 0.000 10.640) 10.640 3.355 ( 0.000 -0.000 1.479) 1.479 3.355 ( 0.000 0.000 1.479) 1.479 3.364 ( 0.000 -0.000 3.695) 3.695 3.473 ( 0.000 0.000 -5.055) 5.055 3.473 ( -0.000 0.000 -5.055) 5.055 3.515 ( 0.000 -0.000 4.896) 4.896 3.604 ( 0.000 0.000 -0.382) 0.382 3.604 ( 0.000 0.000 -0.382) 0.382 3.778 ( -0.000 0.000 13.377) 13.377 3.840 ( 0.000 0.000 -2.615) 2.615 3.840 ( 0.000 0.000 -2.615) 2.615 3.916 ( 0.000 0.000 1.445) 1.445 4.044 ( 0.000 0.000 -1.259) 1.259 4.324 ( 0.000 0.000 2.991) 2.991 4.324 ( 0.000 0.000 2.991) 2.991 4.599 ( 0.000 0.000 8.038) 8.038 4.613 ( 0.000 0.000 0.441) 0.441 4.621 ( 0.000 0.000 -5.909) 5.909 4.621 ( -0.000 0.000 -5.909) 5.909 4.823 ( 0.000 -0.000 -10.171) 10.171 4.975 ( 0.000 0.000 -13.471) 13.471 5.022 ( 0.000 0.000 1.247) 1.247 5.022 ( 0.000 0.000 1.247) 1.247 5.177 ( 0.000 -0.000 -0.534) 0.534 5.177 ( 0.000 -0.000 -0.534) 0.534 5.226 ( 0.000 0.000 -8.078) 8.078 5.324 ( 0.000 0.000 -2.365) 2.365 5.324 ( 0.000 -0.000 -2.365) 2.365 5.577 ( 0.000 0.000 2.307) 2.307 5.577 ( 0.000 0.000 2.307) 2.307 5.616 ( 0.000 0.000 -0.919) 0.919 5.895 ( 0.000 0.000 -6.929) 6.929 5.974 ( 0.000 0.000 -5.858) 5.858 6.197 ( 0.000 0.000 0.096) 0.096 6.197 ( -0.000 0.000 0.096) 0.096 6.299 ( -0.000 0.000 -2.515) 2.515 6.299 ( -0.000 0.000 -2.515) 2.515 6.565 ( 0.000 -0.000 4.631) 4.631 6.598 ( -0.000 -0.000 0.786) 0.786 6.598 ( 0.000 0.000 0.786) 0.786 6.826 ( 0.000 0.000 0.501) 0.501 6.878 ( 0.000 0.000 1.807) 1.807 6.878 ( 0.000 0.000 1.807) 1.807 7.087 ( -0.000 0.000 -6.411) 6.411 7.105 ( 0.000 0.000 2.887) 2.887 7.105 ( 0.000 -0.000 2.887) 2.887 7.301 ( 0.000 0.000 -3.893) 3.893 7.301 ( 0.000 -0.000 -3.893) 3.893 7.385 ( 0.000 0.000 -0.538) 0.538 7.602 ( 0.000 0.000 2.274) 2.274 7.602 ( 0.000 0.000 2.274) 2.274 7.628 ( 0.000 0.000 0.003) 0.003 8.250 ( -0.000 0.000 -6.994) 6.994 12.077 ( 0.000 -0.000 -0.449) 0.449 12.077 ( 0.000 0.000 -0.449) 0.449 12.180 ( -0.000 0.000 1.259) 1.259 12.180 ( 0.000 0.000 1.259) 1.259 12.234 ( 0.000 0.000 10.847) 10.847 12.613 ( 0.000 0.000 1.547) 1.547 12.613 ( 0.000 0.000 1.547) 1.547 12.635 ( 0.000 0.000 2.639) 2.639 12.742 ( 0.000 -0.000 -2.320) 2.320 12.742 ( 0.000 0.000 -2.320) 2.320 12.812 ( 0.000 0.000 -4.021) 4.021 13.188 ( 0.000 -0.000 -5.845) 5.845 15.851 ( -0.000 -0.000 2.556) 2.556 15.851 ( 0.000 0.000 2.556) 2.556 16.132 ( 0.000 0.000 -4.575) 4.575 16.132 ( 0.000 0.000 -4.575) 4.575 16.342 ( 0.000 0.000 0.677) 0.677 16.342 ( 0.000 0.000 0.677) 0.677 16.367 ( -0.000 0.000 -0.058) 0.058 16.432 ( 0.000 0.000 -2.048) 2.048 16.543 ( 0.000 0.000 -0.325) 0.325 16.543 ( 0.000 0.000 -0.325) 0.325 16.668 ( 0.000 -0.000 1.730) 1.730 16.758 ( 0.000 0.000 1.617) 1.617 16.827 ( 0.000 0.000 1.795) 1.795 16.827 ( 0.000 0.000 1.795) 1.795 17.010 ( 0.000 0.000 -2.518) 2.518 17.010 ( -0.000 -0.000 -2.518) 2.518 17.031 ( 0.000 -0.000 -0.592) 0.592 17.141 ( 0.000 0.000 1.236) 1.236 27.190 ( 0.000 -0.000 0.074) 0.074 27.225 ( 0.000 -0.000 -0.038) 0.038 27.225 ( 0.000 0.000 -0.038) 0.038 27.239 ( 0.000 0.000 -0.100) 0.100 27.252 ( 0.000 0.000 -0.062) 0.062 27.252 ( 0.000 -0.000 -0.062) 0.062 29.306 ( 0.000 0.000 -1.522) 1.522 29.306 ( 0.000 0.000 -1.522) 1.522 29.516 ( 0.000 0.000 0.905) 0.905 29.516 ( 0.000 0.000 0.905) 0.905 29.643 ( 0.000 0.000 -2.908) 2.908 29.705 ( 0.000 0.000 -2.048) 2.048 29.705 ( 0.000 0.000 -2.048) 2.048 29.984 ( -0.000 0.000 2.684) 2.684 30.023 ( 0.000 0.000 -4.513) 4.513 30.023 ( 0.000 -0.000 -4.513) 4.513 30.523 ( 0.000 -0.000 7.141) 7.141 30.523 ( -0.000 0.000 7.141) 7.141 30.658 ( 0.000 0.000 2.855) 2.855 30.780 ( 0.000 0.000 4.956) 4.956 31.004 ( 0.000 0.000 4.513) 4.513 31.004 ( -0.000 0.000 4.513) 4.513 31.283 ( 0.000 0.000 -2.971) 2.971 32.124 ( 0.000 -0.000 -9.845) 9.845 ======================= Grid point 87 (24/50) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.931 9.261 17.497) 19.819 1.215 ( 3.645 2.272 19.180) 19.655 1.419 ( 4.784 -0.549 10.814) 11.838 1.543 ( 12.591 1.968 11.737) 17.325 1.714 ( 5.229 -3.688 14.508) 15.857 1.783 ( 5.665 6.890 7.347) 11.556 2.499 ( 12.572 5.888 32.139) 35.009 2.530 ( -1.381 -1.688 4.726) 5.205 2.649 ( -5.801 -2.113 3.978) 7.345 2.706 ( -4.886 0.213 0.211) 4.895 2.857 ( -5.994 -7.935 1.429) 10.047 2.932 ( -4.409 -1.907 4.985) 6.923 3.056 ( -5.489 -2.849 5.759) 8.450 3.142 ( 1.731 0.079 -0.447) 1.789 3.170 ( -0.811 -2.288 1.356) 2.780 3.244 ( -9.058 1.997 0.975) 9.327 3.251 ( -2.202 -0.461 6.521) 6.898 3.345 ( -0.837 0.703 0.586) 1.240 3.392 ( -1.654 0.031 -2.413) 2.926 3.439 ( -2.866 -2.111 6.438) 7.357 3.514 ( 2.575 -1.624 -5.365) 6.169 3.579 ( -0.042 9.978 -0.796) 10.009 3.615 ( 4.966 -2.710 0.251) 5.663 3.668 ( 2.550 1.736 -1.590) 3.471 3.762 ( 1.749 0.005 8.944) 9.113 3.878 ( 3.076 2.628 -2.051) 4.536 3.937 ( 4.753 4.445 -0.819) 6.559 3.981 ( 4.745 2.888 -0.878) 5.623 4.078 ( 2.875 -0.153 0.948) 3.031 4.258 ( -4.683 1.518 2.728) 5.629 4.339 ( 1.645 -4.200 6.070) 7.562 4.483 ( -8.186 0.918 -4.368) 9.324 4.559 ( -3.324 -2.649 3.919) 5.781 4.599 ( 0.608 -4.049 -0.989) 4.212 4.684 ( 1.960 -1.117 -3.789) 4.410 4.869 ( 0.889 2.098 -6.368) 6.763 4.945 ( -8.644 -2.181 3.003) 9.407 4.985 ( 1.350 0.161 -7.876) 7.993 5.005 ( -2.128 -0.997 -0.612) 2.428 5.137 ( -0.232 -3.189 -5.250) 6.148 5.168 ( 3.235 2.343 -3.178) 5.105 5.275 ( -1.337 -2.653 -1.674) 3.410 5.303 ( 3.212 0.491 -4.545) 5.587 5.408 ( 6.410 1.614 -3.681) 7.566 5.553 ( -1.245 0.377 1.247) 1.802 5.609 ( 1.480 0.632 0.233) 1.627 5.703 ( 4.688 3.434 0.675) 5.850 5.898 ( 1.701 -0.253 -1.961) 2.609 5.965 ( -0.054 -0.347 -6.656) 6.665 6.188 ( -0.140 0.542 0.788) 0.967 6.219 ( 2.340 -2.538 -0.123) 3.455 6.316 ( 1.537 1.869 -1.844) 3.042 6.379 ( 4.932 5.207 -2.228) 7.510 6.571 ( -1.365 0.005 3.022) 3.316 6.573 ( 1.301 -1.102 1.477) 2.256 6.622 ( 0.246 0.520 2.664) 2.726 6.789 ( -1.924 -0.404 -1.160) 2.282 6.859 ( -0.225 -2.141 1.759) 2.781 6.894 ( -0.548 2.731 1.921) 3.384 7.041 ( -4.269 -1.960 3.570) 5.900 7.099 ( 0.990 -1.117 -2.077) 2.558 7.158 ( 2.448 2.027 -1.434) 3.487 7.283 ( -0.207 0.461 -4.057) 4.089 7.301 ( -1.087 -0.230 -2.754) 2.970 7.412 ( 0.812 1.044 -0.582) 1.445 7.561 ( 0.470 -2.026 2.615) 3.341 7.603 ( -2.109 -2.028 -0.676) 3.003 7.620 ( -0.601 1.088 0.563) 1.365 8.187 ( -5.947 -1.504 -8.450) 10.442 12.067 ( -1.749 2.031 -0.266) 2.694 12.112 ( 2.821 -1.004 0.795) 3.098 12.142 ( -0.518 -1.422 1.807) 2.357 12.206 ( 0.838 0.566 1.169) 1.546 12.268 ( 1.905 1.910 7.607) 8.071 12.542 ( -5.304 -0.450 1.011) 5.418 12.579 ( -0.209 -3.284 0.960) 3.428 12.621 ( -1.668 0.036 1.913) 2.539 12.751 ( -0.203 -0.352 -1.959) 2.000 12.787 ( 0.508 0.097 -2.947) 2.992 12.843 ( 3.909 2.699 -1.818) 5.087 13.175 ( -0.801 -0.570 -4.681) 4.783 15.842 ( -0.330 -0.191 2.557) 2.585 15.864 ( 0.804 0.120 2.699) 2.819 16.090 ( -9.220 -2.875 1.609) 9.791 16.118 ( 0.008 -1.334 -4.230) 4.435 16.165 ( -1.681 -2.218 -2.019) 3.439 16.330 ( -2.924 -1.282 -0.500) 3.231 16.344 ( 0.362 -2.044 0.316) 2.100 16.499 ( -2.519 -3.587 0.052) 4.383 16.552 ( -0.368 1.281 -0.611) 1.466 16.567 ( 4.654 2.220 -1.387) 5.340 16.626 ( -0.287 1.200 2.990) 3.234 16.756 ( -0.111 0.218 1.800) 1.817 16.820 ( -2.090 1.908 2.297) 3.645 16.885 ( 1.896 0.932 -1.942) 2.869 16.987 ( -1.397 0.535 -2.978) 3.333 17.035 ( 2.643 -1.182 -2.654) 3.927 17.093 ( 4.684 1.948 -0.692) 5.120 17.182 ( 2.641 1.747 0.651) 3.232 27.179 ( -0.613 -0.396 0.322) 0.798 27.211 ( -0.737 -0.744 0.013) 1.047 27.227 ( -0.150 0.238 0.161) 0.324 27.248 ( 0.344 -0.064 -0.257) 0.434 27.249 ( 0.089 0.078 -0.117) 0.166 27.266 ( 0.651 0.637 -0.140) 0.922 29.265 ( 0.036 -2.836 -1.736) 3.325 29.375 ( 2.172 2.538 -2.934) 4.446 29.507 ( 0.963 2.027 2.215) 3.153 29.586 ( 2.483 1.388 0.615) 2.910 29.658 ( 1.760 2.010 -2.596) 3.725 29.698 ( 0.638 1.497 -2.116) 2.669 29.739 ( 2.734 -0.447 -2.386) 3.656 29.934 ( -3.354 0.001 -0.646) 3.416 30.028 ( 0.826 0.008 -2.871) 2.987 30.064 ( 1.458 0.302 -0.826) 1.703 30.427 ( -5.709 -8.207 5.837) 11.577 30.520 ( -2.417 3.037 7.262) 8.234 30.548 ( -5.530 -4.355 3.032) 7.664 30.760 ( -1.230 0.303 8.248) 8.344 30.979 ( -2.181 -0.339 5.264) 5.708 31.115 ( 8.284 3.238 2.645) 9.280 31.423 ( 8.933 5.697 -8.567) 13.625 32.065 ( -5.129 -2.952 -8.816) 10.618 ======================= Grid point 88 (25/50) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 4.206 13.642 10.996) 18.019 1.295 ( 5.403 2.606 12.482) 13.849 1.535 ( 11.788 -4.365 11.046) 16.734 1.725 ( 3.277 -3.141 16.518) 17.130 1.835 ( 15.515 1.925 9.499) 18.294 2.017 ( 9.847 8.243 3.376) 13.278 2.361 ( -8.061 -9.435 3.802) 12.979 2.466 ( -7.821 -2.149 1.845) 8.318 2.598 ( -11.011 -8.063 3.574) 14.108 2.632 ( -4.259 1.522 1.858) 4.890 2.772 ( -1.887 -5.406 7.077) 9.103 2.894 ( -3.981 1.183 7.323) 8.418 2.987 ( 4.208 4.356 13.242) 14.561 3.052 ( -9.616 5.007 2.152) 11.053 3.145 ( 2.707 -6.533 0.507) 7.090 3.167 ( 0.831 1.244 5.726) 5.918 3.247 ( -0.663 2.943 2.017) 3.629 3.316 ( -3.965 2.091 -2.448) 5.107 3.391 ( -0.291 -0.260 2.157) 2.192 3.477 ( 5.576 5.400 -0.994) 7.826 3.516 ( 1.918 -2.669 -2.828) 4.336 3.635 ( 1.706 -0.674 3.260) 3.740 3.663 ( -1.050 9.219 -1.901) 9.472 3.747 ( 3.448 1.310 1.638) 4.036 3.809 ( 1.732 -0.181 -0.626) 1.851 3.949 ( 1.648 2.888 0.120) 3.327 4.016 ( -1.458 4.560 -4.269) 6.415 4.064 ( -1.902 -0.330 1.860) 2.681 4.125 ( 6.300 3.237 0.382) 7.093 4.251 ( -3.559 -2.054 8.499) 9.440 4.287 ( -0.328 2.483 2.969) 3.885 4.424 ( 0.614 -1.989 -1.225) 2.415 4.436 ( -8.109 -3.587 4.576) 9.978 4.564 ( 1.834 -2.820 3.392) 4.777 4.688 ( 1.616 -3.133 -4.021) 5.348 4.752 ( -5.648 -7.961 4.230) 10.638 4.860 ( -1.982 -0.362 -1.194) 2.342 4.937 ( -3.764 0.242 -2.647) 4.608 5.025 ( 2.382 -0.385 -6.026) 6.491 5.118 ( -1.383 1.561 -6.058) 6.407 5.223 ( 1.597 -3.302 -3.295) 4.931 5.282 ( 4.549 -1.062 -7.023) 8.435 5.354 ( 1.337 2.130 -2.131) 3.296 5.514 ( 2.287 -2.563 -1.321) 3.680 5.548 ( 1.989 0.959 1.095) 2.465 5.622 ( -0.498 1.783 -4.247) 4.633 5.787 ( 3.330 -0.304 1.345) 3.604 5.921 ( 0.551 0.214 -0.237) 0.636 6.010 ( 5.118 -1.278 -1.217) 5.414 6.182 ( -0.103 -1.683 1.164) 2.049 6.249 ( 4.119 -1.886 0.067) 4.531 6.377 ( 2.035 4.006 -0.820) 4.567 6.524 ( 5.001 4.185 1.015) 6.599 6.556 ( -0.741 0.029 6.512) 6.554 6.581 ( 2.018 -0.836 -0.350) 2.212 6.627 ( 0.013 0.810 1.396) 1.614 6.758 ( -1.734 -0.597 -2.678) 3.246 6.826 ( -1.278 -4.018 2.740) 5.028 6.874 ( -3.876 -0.783 2.077) 4.467 6.987 ( -2.491 5.294 4.281) 7.250 7.072 ( -0.465 -4.512 -1.665) 4.832 7.218 ( 2.164 1.685 -1.823) 3.294 7.281 ( -0.663 1.926 -2.867) 3.518 7.306 ( -0.004 3.065 -4.256) 5.245 7.394 ( -2.467 -1.764 -3.723) 4.802 7.542 ( -1.733 -0.014 0.013) 1.733 7.587 ( 2.657 -2.388 1.262) 3.789 7.639 ( 2.240 1.966 -2.913) 4.167 8.035 ( -9.654 -1.407 -8.823) 13.154 12.051 ( -2.391 2.102 0.179) 3.189 12.103 ( 0.171 -2.434 2.357) 3.393 12.168 ( 1.963 -0.278 1.521) 2.499 12.221 ( 0.541 -0.117 1.640) 1.730 12.330 ( 2.394 3.208 2.366) 4.650 12.467 ( -3.447 0.637 0.864) 3.610 12.564 ( 1.493 -1.727 0.726) 2.396 12.592 ( -1.430 0.308 2.129) 2.584 12.729 ( -1.541 -1.687 -3.550) 4.222 12.752 ( -2.183 -1.587 -1.392) 3.037 12.947 ( 3.861 2.958 -0.811) 4.931 13.159 ( -0.407 -0.552 -2.566) 2.656 15.835 ( -0.300 -0.218 2.521) 2.548 15.880 ( 1.018 -0.216 3.124) 3.293 15.932 ( -3.848 -2.964 3.572) 6.029 16.109 ( 0.831 -1.863 -3.764) 4.281 16.159 ( -0.174 1.106 -2.793) 3.009 16.268 ( -2.744 -0.496 -1.024) 2.970 16.318 ( -0.757 -1.880 0.320) 2.051 16.415 ( -2.576 -3.711 0.042) 4.518 16.552 ( -1.101 1.639 -0.811) 2.134 16.619 ( 2.209 -0.458 0.201) 2.265 16.671 ( 1.434 1.749 1.188) 2.555 16.752 ( -0.778 -0.113 1.093) 1.346 16.802 ( -1.763 1.914 2.679) 3.735 16.903 ( -0.726 0.923 -1.938) 2.266 16.989 ( 0.095 2.380 -3.453) 4.195 17.066 ( 2.871 -2.483 -3.098) 4.899 17.183 ( 3.413 1.349 -0.409) 3.693 17.232 ( 1.293 0.659 0.032) 1.452 27.169 ( -0.172 -0.204 0.450) 0.523 27.191 ( -0.755 -0.598 0.154) 0.975 27.225 ( -0.107 -0.185 0.465) 0.512 27.248 ( -0.002 0.164 -0.270) 0.316 27.257 ( 0.286 0.138 -0.244) 0.401 27.279 ( 0.291 0.382 -0.206) 0.523 29.251 ( 1.568 -2.931 -2.251) 4.014 29.389 ( -1.704 1.058 -2.579) 3.267 29.586 ( -1.779 1.075 -0.553) 2.151 29.608 ( 5.526 3.497 1.366) 6.681 29.738 ( 3.953 1.246 -1.697) 4.479 29.756 ( 2.572 2.445 0.673) 3.612 29.777 ( 1.454 -0.161 -2.081) 2.544 29.894 ( -2.570 2.863 -2.244) 4.453 30.023 ( -0.187 -1.017 2.652) 2.846 30.107 ( 3.508 0.778 -1.329) 3.831 30.204 ( -8.431 -9.453 2.010) 12.825 30.428 ( -3.758 -2.562 2.153) 5.032 30.539 ( -0.010 1.886 7.537) 7.769 30.747 ( -1.034 1.603 8.862) 9.065 30.930 ( -2.595 -1.530 6.112) 6.814 31.294 ( 7.967 3.744 -0.933) 8.852 31.617 ( 7.063 4.592 -10.553) 13.503 31.906 ( -8.359 -4.861 -6.688) 11.757 ======================= Grid point 89 (26/50) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.205 3.240 11.870) 12.306 1.492 ( 3.609 0.580 7.127) 8.010 1.674 ( 1.811 -9.283 9.523) 13.421 1.736 ( 9.174 0.571 13.267) 16.140 2.058 ( -11.447 -9.352 5.313) 15.707 2.133 ( 12.102 -0.405 11.125) 16.443 2.203 ( -0.051 2.498 7.844) 8.232 2.297 ( -7.665 1.258 -1.701) 7.951 2.408 ( -2.806 2.693 3.220) 5.049 2.603 ( 0.185 0.315 4.247) 4.263 2.692 ( 3.584 -9.173 2.117) 10.073 2.855 ( -2.117 7.986 5.154) 9.738 2.954 ( -5.099 6.926 0.030) 8.601 3.050 ( 4.216 -7.040 4.502) 9.360 3.084 ( -4.467 3.421 1.224) 5.758 3.203 ( -2.852 3.329 -2.885) 5.247 3.296 ( -1.880 1.924 -1.336) 3.004 3.373 ( 4.310 3.610 6.372) 8.498 3.398 ( 0.961 0.391 0.995) 1.438 3.487 ( 1.994 -1.587 -0.925) 2.711 3.586 ( -2.945 1.813 5.372) 6.389 3.675 ( 1.885 -0.999 -6.168) 6.526 3.754 ( -0.050 2.404 3.537) 4.277 3.781 ( -3.620 0.633 3.919) 5.373 3.821 ( 3.543 5.451 1.504) 6.673 3.977 ( -7.441 -0.466 0.357) 7.464 4.002 ( -1.248 2.044 -1.604) 2.882 4.043 ( 0.932 -0.887 4.298) 4.486 4.095 ( -5.328 -1.506 5.943) 8.122 4.196 ( -2.216 1.236 0.951) 2.709 4.277 ( 1.265 4.446 4.182) 6.234 4.352 ( 1.668 1.463 2.486) 3.332 4.464 ( 2.191 0.090 -0.888) 2.366 4.577 ( -2.410 -9.074 8.690) 12.794 4.641 ( 7.646 -2.224 -1.113) 8.041 4.758 ( 7.321 -2.557 1.517) 7.901 4.814 ( -1.548 0.130 -1.170) 1.945 4.895 ( -1.731 0.552 -4.601) 4.947 5.054 ( 0.808 0.554 -2.347) 2.543 5.108 ( -1.804 1.940 -7.024) 7.507 5.233 ( 2.994 -3.020 -5.289) 6.787 5.310 ( 0.290 -3.168 -6.842) 7.545 5.374 ( 0.543 0.082 -6.230) 6.254 5.514 ( -3.014 -0.663 2.435) 3.932 5.538 ( 0.481 1.288 -0.605) 1.502 5.624 ( -0.783 -3.005 -0.508) 3.147 5.825 ( 1.482 0.328 -2.268) 2.729 5.941 ( 2.096 -2.110 0.814) 3.084 6.031 ( 0.470 -4.635 2.179) 5.143 6.169 ( 1.137 -2.253 -0.948) 2.696 6.302 ( 3.716 -2.517 2.007) 4.916 6.443 ( -0.260 3.347 2.097) 3.958 6.533 ( -1.198 -0.302 2.696) 2.965 6.591 ( 0.031 -1.232 3.215) 3.444 6.632 ( 4.013 1.264 4.108) 5.881 6.664 ( -0.722 3.311 -0.099) 3.390 6.701 ( -3.692 -3.705 2.214) 5.680 6.745 ( 2.819 -2.217 -2.665) 4.468 6.822 ( -2.282 -0.946 -0.633) 2.550 6.980 ( -5.670 6.559 2.289) 8.967 7.038 ( 2.431 -4.331 2.263) 5.458 7.260 ( 1.237 0.855 -1.639) 2.224 7.322 ( -0.591 0.995 -3.717) 3.893 7.330 ( -1.530 3.979 -4.458) 6.168 7.339 ( 1.056 0.529 -3.136) 3.351 7.511 ( -2.956 0.673 -2.711) 4.067 7.606 ( 2.011 -2.495 0.978) 3.351 7.739 ( 4.824 3.597 -7.159) 9.352 7.872 ( -6.278 0.663 -5.796) 8.570 12.036 ( -1.644 2.177 0.423) 2.761 12.092 ( 1.199 -1.910 0.931) 2.440 12.180 ( -0.211 0.156 4.170) 4.179 12.221 ( 0.050 -1.050 1.848) 2.126 12.404 ( 1.492 2.997 -1.023) 3.501 12.442 ( -0.378 1.815 0.229) 1.868 12.561 ( -1.566 -2.093 -0.783) 2.730 12.575 ( -0.693 0.261 2.293) 2.410 12.690 ( 0.880 -1.257 -0.922) 1.790 12.725 ( 0.115 0.114 -1.363) 1.373 13.013 ( 0.971 0.899 -1.258) 1.826 13.145 ( -0.552 -0.510 -1.502) 1.680 15.830 ( -0.075 0.150 2.305) 2.311 15.871 ( -0.247 -1.513 3.379) 3.710 15.910 ( 1.612 -0.317 3.003) 3.423 16.112 ( 1.907 -2.078 -3.209) 4.272 16.176 ( 0.385 1.833 -1.825) 2.615 16.237 ( -0.986 0.395 -1.729) 2.029 16.296 ( -0.001 -0.897 0.358) 0.965 16.350 ( -1.023 -1.851 -0.073) 2.116 16.551 ( -0.994 1.690 -0.890) 2.153 16.634 ( 0.511 -1.425 -0.166) 1.523 16.704 ( 0.018 0.529 1.288) 1.392 16.728 ( -0.498 0.280 0.386) 0.690 16.799 ( -1.162 1.915 2.913) 3.675 16.892 ( -0.764 0.653 -1.241) 1.597 17.021 ( -0.389 3.294 -3.843) 5.076 17.077 ( 1.945 -3.783 -3.208) 5.328 17.217 ( -0.276 -0.956 -0.364) 1.060 17.247 ( 0.520 0.216 0.107) 0.573 27.170 ( 0.457 0.111 0.402) 0.619 27.176 ( -0.443 -0.302 0.315) 0.622 27.223 ( 0.125 -0.185 0.523) 0.569 27.252 ( 0.212 0.153 -0.307) 0.403 27.260 ( -0.067 0.128 -0.200) 0.247 27.282 ( -0.193 0.095 -0.268) 0.343 29.258 ( 2.968 -3.663 -2.103) 5.162 29.366 ( -2.748 2.562 -2.244) 4.376 29.570 ( -1.307 1.729 -1.143) 2.450 29.698 ( 0.860 1.579 -3.295) 3.754 29.747 ( -0.272 -2.050 2.292) 3.087 29.763 ( -2.334 -0.819 0.786) 2.596 29.853 ( 2.951 0.565 -0.600) 3.064 29.919 ( -4.139 -1.134 3.017) 5.246 29.954 ( 0.447 1.545 1.211) 2.013 30.074 ( 4.093 -2.702 -1.295) 5.072 30.205 ( 2.779 3.010 0.629) 4.145 30.341 ( -2.230 -2.736 -1.425) 3.807 30.557 ( 0.075 1.624 7.488) 7.662 30.762 ( 0.168 2.424 7.912) 8.277 30.869 ( -2.070 -1.769 7.835) 8.295 31.439 ( 4.716 2.659 -5.319) 7.589 31.635 ( -8.984 -5.326 -3.843) 11.129 31.822 ( 4.788 2.904 -9.392) 10.934 ======================= Grid point 91 (27/50) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -8.407 -0.403 8.808) 12.182 1.397 ( -8.206 1.496 15.729) 17.804 1.527 ( -3.346 -11.373 11.832) 16.749 1.678 ( -9.329 -10.851 8.715) 16.755 1.849 ( -4.706 -5.080 8.267) 10.784 2.051 ( -8.463 -9.096 7.904) 14.725 2.250 ( 9.829 2.958 0.588) 10.281 2.503 ( 7.875 4.303 12.500) 15.387 2.515 ( 11.552 6.306 2.752) 13.446 2.655 ( 2.582 1.206 4.835) 5.612 2.719 ( 5.216 4.278 6.738) 9.535 2.938 ( -0.729 1.673 2.789) 3.333 2.982 ( 1.450 7.693 -0.160) 7.830 3.053 ( 4.110 2.021 1.596) 4.850 3.125 ( -3.336 1.423 9.460) 10.131 3.196 ( 0.918 1.106 0.327) 1.474 3.227 ( -3.243 -3.240 4.430) 6.375 3.347 ( -4.869 -0.262 5.432) 7.300 3.425 ( 0.177 -0.308 -3.536) 3.554 3.448 ( -3.475 -0.016 -1.266) 3.699 3.555 ( -1.493 3.269 1.086) 3.754 3.653 ( -4.015 -3.981 -0.483) 5.675 3.696 ( 0.174 -1.670 4.843) 5.125 3.717 ( -3.213 0.483 -3.280) 4.617 3.824 ( -3.366 -3.014 4.200) 6.169 3.962 ( -0.841 1.861 -4.369) 4.822 3.968 ( -2.540 5.231 -1.594) 6.029 3.993 ( -2.500 -3.250 0.001) 4.100 4.090 ( 0.390 4.887 3.511) 6.030 4.240 ( -2.179 -2.169 2.255) 3.813 4.351 ( 1.828 2.078 1.261) 3.041 4.390 ( 4.013 1.694 0.386) 4.373 4.468 ( 1.276 -2.319 6.562) 7.076 4.560 ( 4.609 1.985 7.704) 9.194 4.707 ( 2.698 -5.026 -4.460) 7.241 4.826 ( 5.383 3.390 -0.070) 6.362 4.861 ( -1.194 2.456 -6.040) 6.629 4.928 ( 6.731 -1.715 -0.800) 6.992 5.068 ( 0.839 0.508 -0.114) 0.987 5.090 ( -3.184 1.710 -5.874) 6.897 5.232 ( -0.347 -2.401 -7.800) 8.169 5.276 ( 1.270 -3.854 -4.929) 6.384 5.376 ( -1.177 -0.983 -5.810) 6.009 5.424 ( -2.118 -3.880 2.416) 5.038 5.549 ( -4.195 0.007 0.280) 4.204 5.583 ( 2.097 -0.246 -0.402) 2.149 5.837 ( -1.037 -0.334 0.257) 1.120 5.932 ( 1.098 -4.251 -1.054) 4.515 5.972 ( -2.133 -3.064 -2.297) 4.383 6.167 ( 0.846 -1.663 -0.409) 1.910 6.305 ( 0.506 -4.402 1.993) 4.859 6.403 ( -4.476 -0.561 1.300) 4.694 6.457 ( -6.264 -0.526 0.414) 6.299 6.594 ( -0.249 -1.083 3.032) 3.230 6.617 ( -0.226 -1.780 0.307) 1.821 6.633 ( -2.592 0.384 0.951) 2.788 6.748 ( 3.411 2.342 2.682) 4.931 6.778 ( 0.472 0.156 -0.740) 0.891 6.835 ( 3.141 2.426 -1.886) 4.394 6.987 ( 0.587 5.751 2.737) 6.396 7.048 ( 2.861 -3.529 3.891) 5.982 7.252 ( -1.561 -1.012 -2.821) 3.379 7.301 ( -3.841 1.579 -4.023) 5.782 7.324 ( -1.258 -0.132 -2.201) 2.538 7.392 ( 2.171 2.705 -0.375) 3.488 7.491 ( 1.066 0.157 -4.198) 4.334 7.593 ( -0.195 -2.731 0.533) 2.790 7.723 ( -3.079 -1.211 -0.018) 3.309 7.984 ( 7.600 8.614 -10.328) 15.448 12.041 ( -0.576 2.450 0.328) 2.538 12.108 ( 2.224 -0.998 0.983) 2.628 12.172 ( -0.963 -0.138 3.832) 3.954 12.199 ( -0.925 -1.503 2.067) 2.718 12.397 ( -4.660 -2.279 1.050) 5.292 12.447 ( 1.018 2.535 0.752) 2.833 12.569 ( 3.010 2.795 -1.689) 4.441 12.583 ( 1.443 -0.473 2.357) 2.804 12.688 ( -0.168 -0.258 0.440) 0.537 12.767 ( 2.598 0.890 -3.623) 4.546 12.979 ( -4.087 -2.023 -1.063) 4.683 13.147 ( 0.938 0.352 -2.538) 2.728 15.834 ( 0.285 0.191 2.282) 2.308 15.865 ( 0.421 -0.664 3.113) 3.210 15.956 ( 3.596 1.884 3.238) 5.193 16.132 ( 2.498 -1.551 -2.903) 4.132 16.187 ( -1.364 0.296 -3.389) 3.665 16.248 ( 2.686 0.702 -1.419) 3.118 16.300 ( 1.057 -0.152 0.550) 1.201 16.373 ( 3.649 1.849 1.398) 4.323 16.551 ( -0.846 1.363 -0.733) 1.764 16.613 ( -1.407 -1.048 -0.337) 1.787 16.663 ( -2.358 -1.395 0.994) 2.914 16.756 ( 0.850 0.675 1.005) 1.480 16.795 ( -0.785 1.497 2.894) 3.352 16.903 ( 0.189 2.115 -1.327) 2.504 17.024 ( -2.236 1.869 -3.783) 4.775 17.059 ( 0.729 -4.207 -3.170) 5.318 17.171 ( -2.600 -2.612 -0.386) 3.706 17.240 ( -1.327 -0.843 0.048) 1.573 27.171 ( 0.090 0.010 0.355) 0.367 27.186 ( 1.007 0.396 0.233) 1.107 27.225 ( 0.223 0.005 0.385) 0.445 27.256 ( 0.213 -0.357 -0.138) 0.439 27.257 ( -0.380 0.273 -0.278) 0.544 27.275 ( -0.642 -0.069 -0.277) 0.703 29.274 ( 3.620 -5.017 -1.398) 6.343 29.350 ( -2.890 3.926 -2.717) 5.581 29.580 ( -0.259 2.401 -0.207) 2.424 29.658 ( -5.395 1.421 -1.337) 5.737 29.686 ( -2.812 -5.399 1.467) 6.262 29.729 ( -1.624 -2.772 -1.220) 3.436 29.773 ( -2.378 -2.170 -0.533) 3.263 29.890 ( 0.610 2.604 -1.406) 3.021 30.063 ( 1.610 0.667 1.031) 2.025 30.150 ( -3.882 1.172 0.280) 4.065 30.208 ( 9.344 -0.949 1.054) 9.451 30.396 ( 6.518 2.175 0.588) 6.896 30.569 ( -0.956 1.820 7.044) 7.338 30.768 ( -1.813 1.368 8.388) 8.690 30.864 ( 2.578 0.581 7.362) 7.822 31.391 ( -10.802 -6.884 -0.093) 12.809 31.488 ( -0.952 -0.040 -8.871) 8.922 31.957 ( 5.918 3.474 -8.978) 11.301 ======================= Grid point 92 (28/50) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -10.339 1.201 15.181) 18.406 1.270 ( -9.077 -2.059 20.336) 22.365 1.424 ( -2.519 -4.523 9.220) 10.574 1.485 ( -1.891 -7.378 15.230) 17.028 1.713 ( -2.288 -5.832 7.941) 10.115 1.813 ( -9.039 -4.744 11.989) 15.746 2.439 ( -0.677 -0.469 21.483) 21.498 2.507 ( -0.072 -1.881 14.470) 14.592 2.685 ( 1.494 3.318 0.576) 3.684 2.733 ( 2.510 2.180 3.705) 4.978 2.882 ( 6.709 0.286 3.833) 7.733 2.968 ( 1.431 6.672 1.485) 6.983 2.999 ( 5.436 -3.806 3.974) 7.735 3.103 ( 0.222 5.402 0.644) 5.445 3.145 ( 7.289 0.396 1.843) 7.529 3.243 ( 2.696 2.195 5.967) 6.906 3.300 ( 0.173 3.907 3.711) 5.391 3.340 ( -0.613 7.400 2.640) 7.880 3.392 ( 3.977 -3.329 0.760) 5.242 3.436 ( -1.583 -0.847 -0.096) 1.798 3.527 ( -4.000 1.306 0.338) 4.221 3.558 ( -1.645 -2.062 -3.917) 4.722 3.646 ( -4.731 -4.423 1.951) 6.763 3.675 ( -2.834 0.009 -6.122) 6.746 3.766 ( 0.126 -0.992 11.088) 11.133 3.887 ( -3.596 -2.629 -2.855) 5.291 3.899 ( -4.898 -0.855 0.531) 5.001 3.971 ( -2.852 -0.029 -3.112) 4.221 4.100 ( -4.545 -5.033 2.461) 7.214 4.228 ( 5.196 6.410 2.800) 8.713 4.350 ( 0.444 -3.778 4.597) 5.967 4.482 ( 2.984 6.652 -5.124) 8.911 4.552 ( 5.035 1.948 5.124) 7.444 4.647 ( 0.477 2.316 3.427) 4.163 4.669 ( 1.075 -7.891 -4.823) 9.310 4.855 ( -2.006 1.435 -9.003) 9.334 4.941 ( 2.883 2.851 -1.809) 4.440 5.004 ( 1.778 1.483 -2.612) 3.491 5.035 ( -2.612 1.415 -4.427) 5.331 5.092 ( 2.566 -2.031 -0.326) 3.288 5.220 ( 2.108 -2.346 -6.587) 7.303 5.244 ( -2.519 -0.514 -1.910) 3.203 5.338 ( 0.355 -2.447 -3.674) 4.428 5.362 ( -2.383 -3.107 -3.183) 5.046 5.533 ( 0.289 3.277 2.427) 4.088 5.592 ( 0.159 -1.833 0.545) 1.919 5.743 ( -7.691 -3.485 0.531) 8.460 5.890 ( 0.002 -1.737 -4.075) 4.430 5.960 ( 1.006 0.569 -5.269) 5.394 6.174 ( 0.995 -0.007 0.061) 0.997 6.248 ( -1.532 -4.075 0.396) 4.372 6.326 ( -2.517 -1.779 -1.334) 3.359 6.354 ( -5.705 0.859 -2.172) 6.165 6.565 ( -0.182 -0.923 0.281) 0.981 6.606 ( -0.953 -0.158 3.274) 3.414 6.610 ( -0.381 -0.472 2.550) 2.621 6.788 ( 1.465 1.788 -0.028) 2.311 6.835 ( 3.270 0.665 2.181) 3.986 6.888 ( -0.048 2.107 -0.107) 2.111 7.063 ( 1.335 0.671 1.777) 2.322 7.077 ( 3.320 1.106 4.355) 5.587 7.174 ( -4.879 -2.698 -6.046) 8.224 7.266 ( 0.520 1.209 -2.430) 2.764 7.320 ( -0.353 -0.121 -3.341) 3.361 7.419 ( -1.861 -0.445 -0.036) 1.914 7.532 ( 3.725 1.123 0.918) 3.997 7.589 ( 1.664 -0.072 -0.004) 1.666 7.670 ( -2.434 -0.980 1.255) 2.909 8.175 ( 5.604 5.181 -8.617) 11.511 12.059 ( -0.106 2.152 0.012) 2.155 12.123 ( -1.681 -2.961 -0.746) 3.486 12.145 ( 1.890 -0.056 1.654) 2.512 12.185 ( -0.153 0.505 5.031) 5.059 12.291 ( -4.309 -2.010 5.206) 7.050 12.522 ( 3.927 3.398 0.636) 5.231 12.608 ( 1.956 -0.321 2.232) 2.985 12.630 ( 0.539 0.760 1.256) 1.564 12.702 ( 1.612 1.356 -2.304) 3.122 12.798 ( 0.301 -0.220 -3.594) 3.613 12.861 ( -5.702 -2.968 -1.378) 6.574 13.173 ( 1.199 0.596 -4.712) 4.898 15.842 ( 0.345 0.226 2.453) 2.487 15.861 ( -0.198 -0.484 2.782) 2.831 16.074 ( 4.978 3.889 -0.548) 6.341 16.151 ( -1.253 0.341 -4.179) 4.376 16.190 ( 5.026 1.119 -0.824) 5.214 16.316 ( 3.693 -1.420 0.757) 4.029 16.329 ( 2.032 1.824 -0.300) 2.747 16.483 ( 5.703 1.912 1.116) 6.117 16.547 ( -0.958 0.990 -0.430) 1.443 16.557 ( -4.136 -1.960 -1.350) 4.772 16.622 ( -0.474 0.302 2.496) 2.559 16.757 ( -0.342 0.023 1.794) 1.827 16.812 ( 0.104 1.927 1.888) 2.700 16.910 ( -2.437 -0.249 -1.317) 2.781 16.996 ( -1.236 0.853 -3.248) 3.578 17.029 ( 0.201 -2.905 -2.805) 4.043 17.087 ( -3.539 -2.988 -0.637) 4.676 17.186 ( -3.088 -1.588 0.623) 3.528 27.179 ( 0.601 0.311 0.286) 0.735 27.209 ( 1.125 0.396 0.066) 1.195 27.228 ( -0.104 0.161 0.113) 0.223 27.249 ( -0.375 -0.268 -0.253) 0.526 27.255 ( 0.043 -0.571 -0.078) 0.578 27.261 ( -0.954 0.156 -0.193) 0.985 29.282 ( 2.495 -3.492 -0.939) 4.393 29.340 ( -2.218 2.364 -2.909) 4.356 29.547 ( -4.665 0.122 1.535) 4.912 29.572 ( -2.848 -3.342 0.608) 4.433 29.643 ( 0.032 1.221 -2.324) 2.626 29.687 ( -0.588 0.136 -1.598) 1.708 29.736 ( -0.823 -2.062 -2.714) 3.506 29.932 ( 1.578 2.594 -0.658) 3.106 30.054 ( -1.009 -2.508 -1.310) 3.004 30.067 ( -3.238 -0.601 -3.049) 4.488 30.405 ( 9.416 2.281 6.940) 11.917 30.538 ( 3.858 2.079 3.599) 5.671 30.563 ( 1.420 2.428 4.826) 5.586 30.760 ( -0.099 1.046 8.297) 8.364 30.937 ( 3.638 2.392 6.034) 7.441 31.153 ( -9.106 -6.303 2.575) 11.370 31.401 ( -6.791 -3.357 -8.041) 11.048 32.074 ( 4.067 2.362 -9.249) 10.376 ======================= Grid point 94 (29/50) ======================= q-point: ( 0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -2.370 6.412 11.836) 13.668 1.339 ( 6.911 9.031 14.144) 18.149 1.452 ( -2.817 4.816 14.615) 15.644 1.606 ( 12.471 9.434 12.075) 19.757 1.727 ( -1.020 6.301 7.637) 9.953 1.961 ( 6.493 9.062 6.544) 12.927 2.323 ( -2.183 -12.136 -2.461) 12.574 2.552 ( -7.721 -8.120 5.155) 12.334 2.605 ( 2.735 -4.740 14.065) 15.092 2.653 ( -2.267 -5.768 5.029) 7.982 2.808 ( -2.460 -0.701 3.862) 4.632 2.930 ( -1.442 -9.386 6.125) 11.300 2.982 ( -0.917 12.115 20.444) 23.782 3.067 ( 0.901 -1.529 -0.559) 1.861 3.163 ( 0.133 -1.644 -0.715) 1.798 3.207 ( -3.947 -3.533 -0.296) 5.306 3.259 ( 4.965 0.441 3.947) 6.357 3.352 ( -1.501 0.881 -0.197) 1.751 3.393 ( -2.346 -1.366 -2.573) 3.741 3.462 ( 3.966 5.161 3.866) 7.571 3.533 ( -3.259 -0.005 -1.653) 3.654 3.579 ( 0.390 2.464 -4.037) 4.745 3.712 ( 3.217 2.787 -2.068) 4.732 3.753 ( 2.595 2.918 1.929) 4.356 3.796 ( 1.992 5.255 2.315) 6.078 3.938 ( 1.927 2.827 -2.104) 4.016 4.014 ( 5.343 2.260 -0.387) 5.814 4.060 ( 3.541 3.514 -1.625) 5.247 4.115 ( -3.053 2.908 2.270) 4.789 4.207 ( 2.841 -3.263 5.345) 6.877 4.316 ( -1.337 1.811 3.475) 4.140 4.452 ( -3.283 -6.089 5.431) 8.795 4.477 ( -0.519 -2.734 -2.502) 3.743 4.552 ( -4.387 -0.963 -3.081) 5.447 4.649 ( 0.077 -3.425 -0.330) 3.442 4.835 ( -10.212 -7.262 7.358) 14.532 4.878 ( -2.040 -1.930 -0.540) 2.860 4.945 ( 4.257 -3.250 -4.271) 6.850 5.029 ( -4.896 2.272 -3.103) 6.225 5.141 ( 3.890 1.694 -4.502) 6.186 5.171 ( -0.487 -0.497 -7.166) 7.199 5.230 ( -1.778 -1.876 -6.352) 6.857 5.342 ( 1.498 3.846 -0.488) 4.156 5.414 ( 3.641 -0.344 -3.838) 5.302 5.557 ( -0.737 0.316 0.731) 1.086 5.619 ( 4.508 1.123 -0.247) 4.652 5.782 ( -2.481 2.401 2.012) 3.996 5.928 ( 3.094 -0.688 -4.871) 5.811 5.939 ( -0.490 1.885 -1.589) 2.513 6.175 ( 1.699 -1.447 -0.196) 2.240 6.220 ( -2.858 2.187 1.853) 4.047 6.385 ( 1.724 4.467 -0.169) 4.791 6.477 ( 4.719 3.940 -1.389) 6.303 6.565 ( -0.133 1.597 -1.289) 2.057 6.579 ( -1.979 -0.282 7.622) 7.880 6.636 ( 0.372 1.349 0.681) 1.556 6.780 ( -1.075 -1.238 -2.221) 2.761 6.797 ( 0.353 -3.545 2.150) 4.161 6.899 ( 0.646 -2.986 1.242) 3.298 6.988 ( -2.584 -2.804 2.933) 4.811 7.071 ( 1.497 -1.223 0.449) 1.984 7.218 ( 0.293 4.037 -2.923) 4.993 7.303 ( -0.399 0.585 -3.192) 3.269 7.335 ( 2.167 3.878 -2.772) 5.236 7.425 ( -1.516 -0.218 -2.927) 3.303 7.496 ( 1.233 -3.376 1.721) 3.985 7.563 ( -0.144 0.100 0.810) 0.829 7.674 ( -2.162 2.856 -0.845) 3.680 8.099 ( -2.288 -7.458 -10.490) 13.073 12.081 ( 0.155 -1.861 2.033) 2.760 12.102 ( -0.395 -0.343 -1.654) 1.735 12.138 ( -0.011 2.359 1.193) 2.644 12.202 ( 1.048 -0.287 5.006) 5.122 12.352 ( 0.821 5.470 2.438) 6.045 12.496 ( 0.699 -2.359 0.090) 2.462 12.552 ( -2.626 -0.567 1.337) 3.001 12.611 ( -0.764 -1.505 1.206) 2.075 12.696 ( 0.679 -3.012 -1.235) 3.325 12.768 ( -1.973 -2.276 -3.289) 4.460 12.951 ( 2.191 6.097 -1.056) 6.564 13.155 ( -0.234 -1.234 -3.135) 3.377 15.836 ( -0.189 -0.288 2.497) 2.520 15.863 ( 0.447 -0.265 2.962) 3.008 15.973 ( -4.592 -5.820 4.101) 8.472 16.099 ( -1.676 -1.077 -3.286) 3.843 16.176 ( 0.061 1.957 -3.664) 4.155 16.274 ( 0.053 -3.114 -1.127) 3.312 16.312 ( -0.304 -1.340 0.719) 1.551 16.407 ( -1.476 -4.943 0.998) 5.254 16.564 ( 0.388 0.336 -0.175) 0.542 16.600 ( 0.282 0.918 -1.013) 1.396 16.650 ( 1.734 1.652 1.275) 2.713 16.761 ( -0.184 -0.053 1.347) 1.361 16.823 ( 0.807 -0.134 2.512) 2.642 16.941 ( -0.085 1.195 -1.553) 1.961 16.991 ( -0.927 -0.779 -2.524) 2.800 17.035 ( 0.557 2.623 -4.556) 5.286 17.147 ( 2.651 3.092 -0.177) 4.077 17.227 ( 0.809 1.995 0.048) 2.154 27.170 ( -0.275 -0.285 0.407) 0.568 27.192 ( -0.362 -1.019 0.171) 1.095 27.224 ( -0.276 -0.423 0.328) 0.602 27.250 ( -0.116 0.100 -0.122) 0.196 27.258 ( 0.171 0.671 -0.309) 0.758 27.277 ( 0.445 0.425 -0.240) 0.660 29.219 ( -1.375 -1.743 -1.683) 2.786 29.422 ( 3.192 2.701 -2.781) 5.021 29.570 ( -0.114 3.599 1.655) 3.963 29.619 ( -0.224 1.090 0.113) 1.118 29.691 ( 2.970 0.923 -3.164) 4.437 29.723 ( 2.720 1.185 -1.186) 3.195 29.752 ( 1.292 2.202 -0.098) 2.555 29.934 ( 0.347 -1.146 0.805) 1.443 30.051 ( -0.006 1.828 -0.936) 2.053 30.097 ( -2.067 3.849 -4.559) 6.314 30.230 ( -5.609 -10.403 4.791) 12.753 30.435 ( -1.793 -5.971 2.917) 6.883 30.566 ( -1.263 1.116 6.983) 7.183 30.773 ( -0.228 1.201 9.515) 9.593 30.907 ( 0.810 -4.998 5.851) 7.737 31.281 ( 2.550 11.377 0.294) 11.664 31.532 ( 6.710 3.604 -10.013) 12.580 31.973 ( -5.372 -6.025 -8.043) 11.395 ======================= Grid point 95 (30/50) ======================= q-point: ( 0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 1.020 -2.456 13.156) 13.422 1.459 ( 3.310 2.333 8.683) 9.581 1.607 ( 4.279 10.267 12.623) 16.824 1.721 ( -0.516 7.445 7.750) 10.759 1.945 ( 8.953 4.757 11.280) 15.166 2.046 ( -0.175 -8.597 2.636) 8.994 2.272 ( 1.024 5.422 8.397) 10.048 2.419 ( 2.255 -1.482 1.705) 3.192 2.492 ( -7.586 -2.685 1.660) 8.216 2.571 ( 0.233 -5.980 5.268) 7.973 2.620 ( -12.733 -6.069 2.038) 14.252 2.856 ( 5.838 -12.523 5.822) 14.994 3.030 ( -5.389 5.391 3.063) 8.215 3.063 ( -2.601 5.471 1.502) 6.241 3.174 ( -1.970 1.425 -0.780) 2.554 3.246 ( 6.595 -0.739 3.535) 7.519 3.295 ( 2.089 -0.803 -3.119) 3.839 3.313 ( -2.535 2.910 1.330) 4.082 3.409 ( 1.142 1.939 6.402) 6.786 3.468 ( -1.656 -3.307 1.386) 3.949 3.611 ( 2.894 7.338 6.058) 9.946 3.621 ( 2.966 1.123 -8.783) 9.338 3.772 ( 0.656 1.851 -3.225) 3.776 3.833 ( 2.323 4.822 3.934) 6.643 3.859 ( -1.075 5.629 2.962) 6.451 3.990 ( 1.033 1.095 1.426) 2.073 4.050 ( -1.296 -0.103 0.079) 1.302 4.100 ( -1.946 3.093 -4.604) 5.878 4.123 ( 3.963 -0.553 0.765) 4.074 4.241 ( -4.789 -0.027 7.031) 8.507 4.323 ( -1.696 -3.692 5.450) 6.798 4.358 ( 1.108 3.528 3.805) 5.306 4.446 ( -3.165 -0.769 -0.866) 3.370 4.499 ( 4.651 -2.499 2.573) 5.873 4.560 ( -5.940 -8.742 10.250) 14.723 4.624 ( 1.471 -5.589 -1.819) 6.059 4.844 ( -1.167 -1.277 3.515) 3.918 4.960 ( -4.448 2.148 -3.895) 6.290 5.004 ( 4.570 -1.029 -4.828) 6.727 5.136 ( 0.933 -5.499 -2.819) 6.249 5.170 ( -1.893 3.100 -6.948) 7.840 5.250 ( 2.936 -1.537 -10.785) 11.283 5.374 ( -0.195 0.166 -4.791) 4.798 5.480 ( 3.271 1.013 3.141) 4.647 5.556 ( -0.433 -0.223 1.488) 1.565 5.683 ( -1.947 3.554 -2.685) 4.862 5.776 ( 2.818 -0.601 0.525) 2.928 5.889 ( -0.054 -4.595 -1.679) 4.892 6.013 ( 1.192 2.172 0.792) 2.601 6.166 ( -1.434 0.044 1.014) 1.757 6.222 ( 2.355 -1.268 2.056) 3.374 6.464 ( 2.185 4.110 1.141) 4.793 6.534 ( -0.797 0.140 0.759) 1.109 6.568 ( 1.851 0.112 6.817) 7.065 6.633 ( -1.976 1.041 1.757) 2.842 6.636 ( 5.253 3.200 -2.896) 6.798 6.707 ( -2.159 -5.406 2.104) 6.190 6.756 ( -3.732 -0.789 -2.390) 4.502 6.848 ( -1.895 -2.679 -0.051) 3.282 6.943 ( 1.973 -4.764 3.094) 6.014 7.106 ( -1.075 3.375 0.854) 3.643 7.262 ( 0.479 3.231 -1.550) 3.615 7.303 ( 0.565 0.412 -3.602) 3.670 7.361 ( -1.101 -0.140 -4.353) 4.492 7.419 ( -2.244 4.704 -2.507) 5.784 7.518 ( 2.971 -1.175 0.363) 3.215 7.565 ( -0.105 -0.329 2.043) 2.072 7.704 ( 2.629 4.650 -6.274) 8.240 7.956 ( -5.530 -6.336 -9.460) 12.658 12.052 ( -0.177 -1.784 1.693) 2.466 12.095 ( -1.265 1.363 -1.983) 2.718 12.170 ( 1.264 0.599 3.211) 3.503 12.207 ( 0.282 -0.894 3.905) 4.016 12.424 ( 1.040 5.432 -0.854) 5.597 12.486 ( -1.959 1.475 0.370) 2.480 12.534 ( 1.241 -1.364 -0.178) 1.852 12.591 ( -0.049 -0.539 2.197) 2.263 12.665 ( -0.589 -3.692 -2.975) 4.778 12.702 ( -0.775 -3.276 0.199) 3.372 13.033 ( 0.754 4.616 -1.190) 4.826 13.141 ( -0.115 -1.310 -1.732) 2.175 15.833 ( -0.041 0.200 2.454) 2.462 15.869 ( -0.071 -0.842 3.806) 3.899 15.879 ( -0.680 -2.137 2.947) 3.703 16.081 ( 0.169 -0.768 -3.267) 3.360 16.196 ( -0.107 2.242 -2.549) 3.396 16.250 ( -0.412 -1.081 -1.573) 1.952 16.292 ( -0.479 -0.662 1.050) 1.330 16.342 ( -1.057 -3.365 0.260) 3.537 16.570 ( -0.001 0.239 -0.184) 0.301 16.602 ( 0.557 -1.102 -0.779) 1.460 16.696 ( 1.525 1.521 0.916) 2.341 16.746 ( -1.110 -0.628 0.643) 1.428 16.838 ( -0.339 1.831 2.495) 3.113 16.922 ( -2.015 0.794 -0.870) 2.334 16.994 ( 2.452 -3.086 -2.268) 4.548 17.066 ( -0.227 2.921 -5.275) 6.034 17.210 ( 1.459 1.329 -0.184) 1.982 17.243 ( 0.021 0.243 0.013) 0.244 27.167 ( 0.036 0.050 0.463) 0.467 27.178 ( -0.320 -0.606 0.314) 0.753 27.216 ( 0.018 -0.506 0.410) 0.652 27.250 ( 0.031 -0.011 -0.122) 0.126 27.267 ( -0.036 0.724 -0.317) 0.791 27.283 ( 0.116 -0.005 -0.262) 0.287 29.196 ( 0.665 -2.080 -2.276) 3.154 29.469 ( -2.745 6.222 -2.050) 7.103 29.604 ( -0.696 0.767 -2.204) 2.435 29.652 ( 4.468 0.194 -0.342) 4.486 29.731 ( 1.114 0.370 0.016) 1.174 29.782 ( 0.460 0.616 0.922) 1.200 29.794 ( 3.622 1.436 -0.591) 3.941 29.903 ( 0.543 -3.861 5.156) 6.464 29.978 ( -6.622 -9.130 1.437) 11.370 30.105 ( -2.185 7.598 -4.552) 9.122 30.167 ( 3.665 3.173 -0.759) 4.907 30.359 ( -2.304 -4.658 0.937) 5.280 30.558 ( 0.044 0.104 6.586) 6.587 30.781 ( -0.097 1.633 9.361) 9.503 30.861 ( -0.565 -4.228 7.443) 8.579 31.437 ( 2.730 9.753 -3.633) 10.760 31.667 ( 4.962 0.181 -8.563) 9.898 31.795 ( -6.140 -6.133 -6.493) 10.838 ======================= Grid point 96 (31/50) ======================= q-point: (-0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 4.714 -2.778 14.114) 15.137 1.446 ( -4.498 -2.761 8.594) 10.085 1.611 ( -8.989 1.200 11.316) 14.502 1.813 ( -3.477 2.556 10.233) 11.106 1.912 ( -7.538 -3.819 5.051) 9.844 2.048 ( 7.183 -6.475 6.848) 11.850 2.201 ( -11.819 3.047 3.561) 12.715 2.431 ( 2.435 0.493 0.652) 2.569 2.446 ( 4.853 6.937 8.061) 11.690 2.568 ( 4.956 -3.037 4.578) 7.398 2.655 ( 9.051 6.234 5.257) 12.183 2.850 ( 6.952 -10.957 3.793) 13.520 3.029 ( -1.875 6.780 3.604) 7.904 3.079 ( -0.399 5.407 2.977) 6.185 3.159 ( -2.283 3.936 -5.533) 7.164 3.213 ( -3.596 -4.516 0.421) 5.788 3.298 ( 1.448 -1.576 0.570) 2.215 3.374 ( 0.165 -0.845 -0.059) 0.863 3.386 ( -1.674 -0.720 5.108) 5.423 3.486 ( 3.940 -1.134 2.781) 4.954 3.604 ( -6.426 -0.873 -4.841) 8.093 3.652 ( -1.116 -0.519 4.542) 4.706 3.765 ( -3.399 1.447 -0.809) 3.782 3.806 ( -7.262 1.585 2.696) 7.907 3.909 ( -4.639 -0.234 2.189) 5.134 3.983 ( -4.228 0.376 0.486) 4.272 4.002 ( 0.420 3.018 1.641) 3.461 4.076 ( -1.725 4.249 0.092) 4.587 4.106 ( 1.098 -0.052 0.162) 1.111 4.242 ( 1.627 2.702 2.049) 3.761 4.327 ( -1.386 -3.163 2.054) 4.019 4.395 ( 0.807 4.878 4.567) 6.731 4.430 ( -0.811 -2.833 3.742) 4.763 4.471 ( 6.231 -0.306 3.320) 7.067 4.592 ( 6.341 -3.657 -0.970) 7.384 4.676 ( 10.888 -5.581 5.871) 13.571 4.828 ( 0.688 1.304 4.644) 4.873 4.925 ( -2.430 2.636 -5.793) 6.813 5.062 ( 0.827 -0.712 -1.251) 1.660 5.118 ( 4.741 -5.151 -6.845) 9.790 5.167 ( -1.768 3.120 -5.970) 6.964 5.250 ( -0.520 -2.975 -9.778) 10.234 5.373 ( 0.290 0.362 -6.447) 6.464 5.473 ( -4.900 -1.626 3.820) 6.422 5.551 ( 0.993 0.321 2.250) 2.480 5.651 ( -4.359 3.718 -0.999) 5.816 5.820 ( 0.876 -3.286 -1.296) 3.639 5.866 ( 3.556 -1.535 -1.557) 4.174 6.004 ( -3.110 0.697 0.592) 3.242 6.159 ( -0.099 0.830 0.428) 0.939 6.245 ( 2.056 -3.132 2.686) 4.610 6.475 ( -4.512 -0.522 1.785) 4.880 6.529 ( 0.410 0.462 2.402) 2.480 6.571 ( -1.741 -0.483 3.793) 4.202 6.615 ( -1.811 -1.537 -1.094) 2.615 6.673 ( 1.587 -0.146 1.910) 2.488 6.688 ( 1.113 -0.396 0.449) 1.264 6.782 ( 5.995 4.573 -1.439) 7.676 6.799 ( -1.351 -0.891 -1.941) 2.527 6.951 ( 3.402 -3.673 3.920) 6.359 7.082 ( -4.377 3.596 0.627) 5.699 7.287 ( -1.244 1.074 -1.997) 2.587 7.310 ( -1.311 -1.481 -3.083) 3.663 7.349 ( 1.410 1.091 -2.998) 3.488 7.431 ( -1.061 4.665 -0.256) 4.791 7.493 ( -3.268 -2.423 -2.920) 5.008 7.573 ( 0.744 -0.846 2.127) 2.407 7.747 ( -3.139 -2.859 -5.434) 6.896 7.924 ( 7.103 4.045 -10.057) 12.960 12.051 ( 1.304 -0.499 1.653) 2.164 12.093 ( -0.627 1.591 -1.820) 2.498 12.178 ( -0.606 -0.872 2.608) 2.816 12.200 ( -0.010 -0.350 4.646) 4.660 12.451 ( -3.313 0.154 -1.270) 3.552 12.474 ( -1.393 2.035 0.336) 2.489 12.540 ( 1.342 -0.385 -1.814) 2.289 12.572 ( 0.204 0.281 2.361) 2.386 12.660 ( 2.060 -1.390 0.717) 2.587 12.709 ( 3.896 -1.064 -1.946) 4.483 13.042 ( -3.544 1.088 -1.261) 3.916 13.135 ( 0.790 -0.233 -1.712) 1.899 15.834 ( -0.213 0.128 2.316) 2.329 15.854 ( 0.431 0.054 3.257) 3.286 15.897 ( 3.018 -1.079 3.670) 4.872 16.084 ( 0.925 -0.741 -3.040) 3.263 16.209 ( -0.881 0.722 -2.612) 2.849 16.235 ( -0.055 0.198 -1.907) 1.918 16.292 ( 0.554 0.227 0.871) 1.057 16.331 ( 2.456 -0.041 0.749) 2.568 16.569 ( -0.312 0.199 -0.225) 0.433 16.604 ( 0.842 -1.099 -0.702) 1.552 16.695 ( -2.420 -0.487 0.571) 2.534 16.745 ( 1.147 0.702 0.794) 1.561 16.835 ( -1.808 1.316 2.870) 3.639 16.922 ( 0.325 2.253 -1.393) 2.669 16.995 ( 1.715 -3.855 -2.035) 4.684 17.075 ( -1.561 1.274 -5.327) 5.695 17.202 ( -2.400 -0.207 -0.025) 2.409 17.248 ( -0.025 -0.172 -0.027) 0.176 27.170 ( -0.054 -0.270 0.439) 0.518 27.175 ( 0.603 0.277 0.340) 0.746 27.217 ( 0.462 -0.282 0.389) 0.667 27.251 ( 0.101 -0.104 -0.105) 0.179 27.268 ( -0.498 0.357 -0.317) 0.690 27.282 ( -0.158 -0.059 -0.277) 0.324 29.197 ( 1.649 -1.744 -2.152) 3.224 29.464 ( -4.654 5.685 -2.176) 7.662 29.605 ( -0.285 1.634 -1.503) 2.238 29.660 ( -0.840 -5.613 -0.837) 5.736 29.726 ( -2.104 0.519 -1.747) 2.784 29.759 ( -2.896 0.359 1.365) 3.222 29.807 ( -3.570 -3.289 1.469) 5.071 29.874 ( 3.877 1.182 3.251) 5.196 29.999 ( 11.459 -1.322 1.940) 11.697 30.099 ( -4.027 3.721 -2.576) 6.058 30.234 ( -5.278 -3.096 -2.223) 6.511 30.310 ( 5.916 2.345 0.667) 6.398 30.570 ( 0.961 -0.464 6.493) 6.580 30.799 ( -0.609 0.118 8.714) 8.736 30.830 ( 1.684 -0.100 8.328) 8.497 31.521 ( -10.717 -5.382 -2.987) 12.359 31.541 ( -1.295 6.715 -7.386) 10.066 31.842 ( 8.570 -1.086 -8.245) 11.942 ======================= Grid point 101 (32/50) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.000 -0.000 12.977) 12.977 1.496 ( -0.000 -0.000 10.566) 10.566 1.770 ( -3.696 -7.392 7.817) 11.376 1.770 ( 3.696 7.392 7.817) 11.376 1.957 ( -2.137 -4.275 6.809) 8.319 1.957 ( 2.137 4.275 6.809) 8.319 2.357 ( -0.000 -0.000 10.630) 10.630 2.456 ( -1.872 -3.743 5.956) 7.279 2.456 ( 1.872 3.743 5.956) 7.279 2.571 ( -0.000 -0.000 -3.811) 3.811 2.584 ( -3.078 -6.156 4.250) 8.089 2.584 ( 3.078 6.156 4.250) 8.089 3.114 ( -0.000 0.000 3.792) 3.792 3.141 ( -2.087 -4.174 -2.584) 5.335 3.141 ( 2.087 4.174 -2.584) 5.335 3.269 ( -1.894 -3.787 -6.401) 7.675 3.269 ( 1.894 3.787 -6.401) 7.675 3.338 ( -0.000 0.000 6.155) 6.155 3.412 ( -0.590 -1.180 6.399) 6.533 3.412 ( 0.590 1.180 6.399) 6.533 3.650 ( -0.000 -0.000 -11.737) 11.737 3.674 ( -0.000 -0.000 2.912) 2.912 3.802 ( -0.000 -0.000 1.719) 1.719 3.903 ( -0.864 -1.729 2.668) 3.295 3.903 ( 0.864 1.729 2.668) 3.295 4.063 ( -0.862 -1.724 1.087) 2.213 4.063 ( 0.862 1.724 1.087) 2.213 4.096 ( -0.000 0.000 -2.411) 2.411 4.194 ( 0.000 0.000 0.545) 0.545 4.228 ( -3.724 -7.447 7.260) 11.047 4.228 ( 3.724 7.447 7.260) 11.047 4.391 ( -0.855 -1.709 8.570) 8.780 4.391 ( 0.855 1.709 8.570) 8.780 4.485 ( -0.759 -1.518 1.729) 2.422 4.485 ( 0.759 1.518 1.729) 2.422 4.532 ( -0.000 0.000 -3.850) 3.850 4.829 ( -0.000 -0.000 7.118) 7.118 5.014 ( -1.516 -3.031 -5.381) 6.359 5.014 ( 1.516 3.031 -5.381) 6.359 5.027 ( -0.000 -0.000 -1.917) 1.917 5.220 ( -0.832 -1.664 -9.252) 9.437 5.220 ( 0.832 1.664 -9.252) 9.437 5.374 ( -0.000 -0.000 -6.168) 6.168 5.531 ( -1.009 -2.017 4.794) 5.298 5.531 ( 1.009 2.017 4.794) 5.298 5.759 ( -1.690 -3.380 -4.123) 5.592 5.759 ( 1.690 3.379 -4.123) 5.592 5.805 ( -0.000 0.000 2.381) 2.381 6.043 ( -0.000 -0.000 1.019) 1.019 6.186 ( -0.968 -1.936 1.961) 2.921 6.186 ( 0.968 1.936 1.961) 2.921 6.517 ( -0.497 -0.993 2.383) 2.629 6.517 ( 0.497 0.993 2.383) 2.629 6.607 ( 0.000 -0.000 4.927) 4.927 6.631 ( -0.441 -0.882 1.576) 1.859 6.631 ( 0.441 0.882 1.576) 1.859 6.681 ( -0.000 -0.000 -8.110) 8.110 6.773 ( -1.280 -2.560 0.109) 2.864 6.773 ( 1.280 2.560 0.109) 2.864 6.902 ( -0.000 -0.000 4.320) 4.320 7.140 ( -0.000 -0.000 -0.027) 0.027 7.304 ( -0.044 -0.088 -2.982) 2.983 7.304 ( 0.044 0.088 -2.982) 2.983 7.364 ( -0.000 -0.000 -2.911) 2.911 7.452 ( -0.000 -0.000 -0.259) 0.259 7.541 ( -0.996 -1.993 1.129) 2.498 7.541 ( 0.996 1.993 1.129) 2.498 7.819 ( -2.813 -5.625 -9.243) 11.180 7.819 ( 2.813 5.625 -9.243) 11.180 12.033 ( -0.000 -0.000 1.295) 1.295 12.108 ( -0.000 -0.000 -3.311) 3.311 12.188 ( -0.427 -0.854 4.488) 4.589 12.188 ( 0.427 0.854 4.488) 4.589 12.503 ( -0.896 -1.793 -2.222) 2.992 12.503 ( 0.896 1.793 -2.222) 2.992 12.518 ( -0.000 0.000 0.014) 0.014 12.597 ( -1.272 -2.545 0.463) 2.882 12.597 ( 1.272 2.545 0.463) 2.882 12.661 ( -0.000 -0.000 1.665) 1.665 13.105 ( -1.115 -2.231 -1.406) 2.863 13.105 ( 1.115 2.231 -1.406) 2.863 15.847 ( -0.487 -0.975 2.539) 2.763 15.847 ( 0.487 0.975 2.539) 2.763 15.857 ( -0.000 -0.000 3.924) 3.924 16.076 ( -0.000 -0.000 -3.112) 3.112 16.232 ( -0.447 -0.894 -2.101) 2.327 16.232 ( 0.447 0.894 -2.101) 2.327 16.294 ( -0.524 -1.049 0.936) 1.501 16.294 ( 0.524 1.049 0.936) 1.501 16.568 ( -0.000 -0.000 0.957) 0.957 16.591 ( -0.000 -0.000 -1.880) 1.880 16.727 ( -0.587 -1.174 0.583) 1.436 16.727 ( 0.587 1.174 0.583) 1.436 16.864 ( -0.000 -0.000 2.740) 2.740 16.941 ( -0.739 -1.478 -1.555) 2.270 16.941 ( 0.739 1.478 -1.555) 2.270 17.097 ( -0.000 -0.000 -5.757) 5.757 17.235 ( -0.506 -1.013 -0.023) 1.133 17.235 ( 0.506 1.013 -0.023) 1.133 27.170 ( -0.092 -0.185 0.451) 0.496 27.170 ( 0.092 0.185 0.451) 0.496 27.210 ( 0.000 -0.000 0.358) 0.358 27.249 ( -0.000 -0.000 -0.094) 0.094 27.279 ( -0.186 -0.372 -0.305) 0.516 27.279 ( 0.186 0.372 -0.305) 0.516 29.175 ( -0.000 -0.000 -2.579) 2.579 29.594 ( -2.257 -4.513 -2.204) 5.506 29.594 ( 2.257 4.513 -2.204) 5.506 29.618 ( -0.000 -0.000 -2.810) 2.810 29.759 ( -0.000 -0.000 3.571) 3.571 29.814 ( -1.027 -2.053 3.115) 3.869 29.814 ( 1.027 2.053 3.115) 3.869 29.838 ( -1.759 -3.517 -0.027) 3.932 29.838 ( 1.759 3.517 -0.027) 3.932 30.224 ( -0.000 -0.000 -0.452) 0.452 30.243 ( -1.758 -3.517 -2.434) 4.624 30.243 ( 1.758 3.517 -2.434) 4.624 30.553 ( -0.000 -0.000 5.867) 5.867 30.806 ( -0.456 -0.913 9.337) 9.392 30.806 ( 0.456 0.913 9.337) 9.392 31.602 ( 0.000 -0.000 -6.247) 6.247 31.668 ( -3.034 -6.067 -6.240) 9.217 31.668 ( 3.034 6.067 -6.240) 9.217 ======================= Grid point 106 (33/50) ======================= q-point: (-0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -1.213 9.805 11.626) 15.257 1.283 ( -1.959 8.488 14.351) 16.787 1.580 ( -6.452 8.750 11.492) 15.819 1.744 ( -9.287 10.092 9.752) 16.828 1.816 ( -3.775 4.825 12.141) 13.599 1.972 ( -2.819 14.870 7.485) 16.885 2.397 ( -1.814 -10.696 1.981) 11.028 2.524 ( 7.492 -7.558 5.539) 11.998 2.610 ( 5.784 -2.600 1.753) 6.579 2.676 ( -5.729 -3.226 15.077) 16.448 2.800 ( 4.826 -9.661 10.710) 15.209 2.856 ( 3.099 -4.407 -1.495) 5.591 2.948 ( 4.196 -2.784 7.867) 9.341 3.021 ( 1.163 -2.080 0.635) 2.466 3.180 ( -3.382 -1.275 -1.460) 3.898 3.186 ( 2.179 -1.308 3.942) 4.690 3.233 ( 2.071 1.944 4.431) 5.263 3.324 ( -7.731 0.841 2.381) 8.133 3.348 ( 6.501 -1.946 -2.589) 7.263 3.423 ( 2.627 0.980 2.716) 3.904 3.517 ( -3.612 -0.444 -0.258) 3.648 3.609 ( 2.120 4.337 -2.413) 5.397 3.656 ( 1.634 0.991 0.229) 1.924 3.744 ( -3.185 3.461 3.997) 6.172 3.828 ( -1.303 3.692 3.088) 4.986 3.905 ( -0.843 0.965 -2.239) 2.579 3.946 ( -0.619 -1.794 -2.116) 2.842 4.026 ( -5.998 2.132 -1.801) 6.616 4.068 ( 2.693 -4.181 3.261) 5.947 4.239 ( -2.743 1.690 1.368) 3.500 4.315 ( 5.591 -2.960 2.044) 6.648 4.444 ( -1.569 0.706 1.012) 1.996 4.489 ( 3.381 -4.363 6.784) 8.746 4.591 ( 0.586 -1.509 7.666) 7.835 4.748 ( 0.426 3.194 -6.338) 7.111 4.829 ( 1.438 -2.366 -4.890) 5.619 4.881 ( 1.322 -2.406 -2.186) 3.509 4.954 ( 3.075 -1.158 -3.440) 4.757 5.021 ( -0.442 2.438 -6.134) 6.615 5.113 ( 0.287 -2.238 -3.367) 4.053 5.230 ( -2.099 0.952 -2.349) 3.291 5.317 ( -1.291 2.401 -4.341) 5.126 5.325 ( 2.423 0.813 -3.940) 4.697 5.479 ( -2.230 -3.811 1.952) 4.828 5.526 ( -4.152 5.114 0.438) 6.602 5.624 ( -2.078 1.390 -4.632) 5.264 5.807 ( -0.214 4.517 0.292) 4.532 5.943 ( 0.843 2.395 -2.922) 3.870 5.999 ( -5.736 4.997 -0.141) 7.609 6.207 ( -2.040 1.810 0.771) 2.834 6.303 ( 0.802 4.473 -0.330) 4.556 6.345 ( 1.182 2.670 -1.398) 3.237 6.422 ( -6.657 2.933 1.494) 7.426 6.570 ( 1.851 0.812 1.160) 2.331 6.604 ( -0.909 -0.575 1.632) 1.955 6.622 ( 0.716 2.189 2.688) 3.539 6.761 ( 0.095 -0.796 -2.013) 2.167 6.827 ( -1.752 -4.248 2.200) 5.095 6.856 ( -0.566 -1.315 0.559) 1.537 6.958 ( 5.027 -5.204 5.560) 9.125 7.111 ( -1.536 -0.672 3.250) 3.657 7.211 ( 1.033 3.336 -5.216) 6.277 7.265 ( -1.578 -0.263 -3.443) 3.797 7.293 ( 2.660 0.362 -2.827) 3.899 7.418 ( 0.091 -0.921 -0.925) 1.309 7.509 ( 0.143 -4.170 -3.623) 5.526 7.615 ( -1.805 2.343 -0.500) 2.999 7.661 ( 2.662 2.810 1.239) 4.064 8.024 ( 4.216 -10.883 -8.860) 14.653 12.024 ( 0.723 -1.884 0.103) 2.021 12.139 ( 0.635 0.367 4.516) 4.575 12.165 ( -1.181 0.066 2.140) 2.445 12.202 ( -1.502 1.077 -1.172) 2.189 12.334 ( 0.435 5.076 3.539) 6.203 12.454 ( 1.403 -3.851 1.016) 4.222 12.578 ( 0.805 -1.950 0.869) 2.282 12.605 ( 1.252 -0.069 1.057) 1.640 12.697 ( -1.287 -2.985 -1.024) 3.408 12.781 ( 1.649 -1.698 -3.518) 4.240 12.940 ( -1.821 6.044 -0.822) 6.366 13.160 ( 0.043 -1.057 -3.150) 3.323 15.837 ( 0.145 -0.329 2.467) 2.493 15.877 ( -0.851 0.553 2.899) 3.072 15.972 ( 3.070 -4.109 3.018) 5.952 16.145 ( 0.774 1.410 -3.632) 3.973 16.160 ( 1.126 0.065 -3.250) 3.441 16.271 ( 1.691 -3.164 -1.070) 3.743 16.341 ( 0.139 -1.199 0.315) 1.248 16.444 ( -1.190 -5.504 0.802) 5.688 16.519 ( 1.390 -0.921 -0.344) 1.703 16.613 ( -2.832 0.871 -0.182) 2.969 16.635 ( -0.040 2.651 1.505) 3.049 16.756 ( 0.330 -0.065 1.381) 1.422 16.782 ( 0.719 -1.117 1.945) 2.356 16.896 ( 0.142 -0.360 -1.614) 1.660 16.977 ( 1.381 0.199 -2.494) 2.857 17.093 ( -1.899 2.750 -3.669) 4.963 17.164 ( -2.334 3.459 -0.480) 4.201 17.227 ( -1.008 2.347 0.056) 2.554 27.172 ( 0.210 -0.248 0.390) 0.508 27.196 ( 0.339 -1.009 0.120) 1.071 27.224 ( 0.158 -0.133 0.367) 0.421 27.250 ( 0.278 0.128 -0.209) 0.371 27.259 ( -0.059 0.487 -0.271) 0.560 27.271 ( -0.534 0.284 -0.168) 0.628 29.290 ( 1.984 0.116 -3.191) 3.759 29.393 ( -5.028 1.734 -2.229) 5.767 29.537 ( -0.115 2.307 1.961) 3.030 29.581 ( 1.554 -1.416 -0.542) 2.171 29.690 ( -2.723 2.725 -1.025) 3.986 29.737 ( -3.215 4.411 -0.026) 5.458 29.776 ( -1.245 1.125 -2.586) 3.083 29.878 ( 1.592 -2.395 -1.387) 3.192 30.060 ( 2.270 1.929 1.415) 3.298 30.097 ( -1.353 1.389 -0.796) 2.096 30.324 ( 3.694 -7.701 2.089) 8.793 30.452 ( 2.873 -4.734 1.113) 5.648 30.516 ( 0.956 0.436 7.703) 7.774 30.733 ( 1.146 -0.609 8.970) 9.063 30.910 ( -0.668 -3.960 6.597) 7.724 31.298 ( -2.710 11.210 0.574) 11.548 31.521 ( -6.660 3.474 -9.961) 12.476 31.973 ( 5.334 -6.050 -8.058) 11.401 ======================= Grid point 113 (34/50) ======================= q-point: (-0.33 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -3.561 1.161 11.786) 12.367 1.516 ( -4.986 16.066 2.789) 17.051 1.798 ( -1.360 11.957 15.492) 19.616 1.819 ( -2.144 6.991 12.584) 14.554 2.052 ( -9.147 7.165 2.766) 11.944 2.178 ( -4.888 10.028 7.808) 13.617 2.239 ( 9.956 -6.468 5.262) 12.986 2.310 ( 6.536 -10.559 5.572) 13.611 2.427 ( 12.897 -9.007 4.532) 16.371 2.529 ( -3.917 -7.005 0.991) 8.087 2.726 ( -4.293 -9.097 13.994) 17.235 2.805 ( 5.020 -5.263 2.948) 7.848 2.895 ( -1.821 0.899 -3.568) 4.106 3.023 ( 3.994 2.724 0.843) 4.907 3.087 ( -1.652 -5.732 2.220) 6.365 3.230 ( -1.554 0.600 -2.892) 3.338 3.233 ( 3.269 -1.195 -4.454) 5.653 3.295 ( -3.142 0.729 2.822) 4.286 3.400 ( 0.337 0.937 -0.120) 1.003 3.537 ( -6.335 3.554 2.760) 7.771 3.568 ( 3.758 1.848 -0.040) 4.188 3.598 ( -6.864 -0.479 2.492) 7.318 3.645 ( -1.113 0.654 5.122) 5.282 3.785 ( 1.578 -2.096 6.317) 6.840 3.858 ( 1.719 4.353 -1.480) 4.908 3.920 ( -2.641 -2.997 -0.218) 4.001 3.953 ( -5.014 0.910 0.175) 5.099 4.034 ( 0.365 -1.108 -0.707) 1.364 4.155 ( 4.719 -5.177 7.816) 10.495 4.166 ( -4.680 -2.076 5.796) 7.733 4.242 ( 4.648 -1.761 2.051) 5.377 4.348 ( 2.907 -0.378 2.288) 3.719 4.456 ( -0.021 -2.675 3.321) 4.265 4.655 ( -2.824 5.465 7.116) 9.406 4.753 ( 2.970 2.508 -6.728) 7.770 4.812 ( -0.075 2.785 -5.525) 6.187 4.822 ( 3.786 0.885 2.272) 4.503 4.913 ( 1.731 2.829 -4.151) 5.314 5.040 ( 0.117 -1.359 -2.048) 2.461 5.091 ( 0.245 -0.293 -7.688) 7.698 5.249 ( -0.671 -1.386 -2.542) 2.972 5.290 ( -2.229 -6.366 -3.332) 7.523 5.368 ( -0.874 4.032 -5.620) 6.972 5.478 ( -1.563 -2.076 0.288) 2.614 5.534 ( 1.752 -2.671 -0.397) 3.219 5.731 ( 0.148 7.565 -2.445) 7.952 5.831 ( 0.144 1.169 -1.459) 1.875 5.962 ( -0.266 2.580 -0.531) 2.648 6.130 ( -0.002 6.687 2.975) 7.319 6.243 ( 1.987 4.786 -1.136) 5.305 6.339 ( -0.738 3.455 1.206) 3.733 6.379 ( -2.630 1.144 -0.408) 2.897 6.535 ( 1.120 -1.164 3.874) 4.197 6.560 ( -5.856 1.345 2.907) 6.675 6.609 ( -0.706 -1.504 0.622) 1.774 6.641 ( 0.386 3.453 1.293) 3.708 6.768 ( 1.131 1.734 0.392) 2.107 6.802 ( 5.074 -4.324 3.184) 7.388 6.813 ( -1.346 -4.594 3.031) 5.666 6.861 ( -1.089 -3.103 2.884) 4.374 7.099 ( 1.497 -0.025 2.832) 3.204 7.233 ( -1.790 0.995 -6.179) 6.509 7.289 ( -1.116 0.121 -4.425) 4.566 7.294 ( -0.953 2.814 -2.246) 3.724 7.369 ( 3.671 -1.951 -4.418) 6.066 7.468 ( -1.109 -5.103 -4.845) 7.123 7.658 ( 1.232 3.149 -0.115) 3.383 7.682 ( -3.220 2.433 -3.355) 5.248 7.852 ( 3.458 -9.154 -6.051) 11.505 11.998 ( -0.230 -2.039 -0.025) 2.052 12.133 ( 1.107 1.491 3.901) 4.320 12.174 ( -0.375 -0.911 4.067) 4.185 12.231 ( -0.398 0.726 -1.408) 1.633 12.377 ( -0.666 3.422 -0.154) 3.490 12.412 ( -0.330 -1.586 1.175) 2.001 12.548 ( 0.046 -3.684 -0.395) 3.705 12.609 ( 0.640 2.422 1.239) 2.795 12.684 ( -1.336 -2.365 -0.893) 2.859 12.721 ( 2.226 -2.142 -0.829) 3.198 13.023 ( -1.078 4.736 -1.213) 5.006 13.146 ( 0.300 -1.395 -1.889) 2.368 15.829 ( 0.216 -0.325 2.486) 2.516 15.895 ( -0.051 0.668 3.023) 3.097 15.917 ( 0.940 -0.095 2.549) 2.718 16.148 ( 0.168 -0.140 -2.618) 2.627 16.160 ( 0.086 2.842 -2.805) 3.994 16.225 ( 0.528 -1.740 -1.481) 2.345 16.317 ( 0.987 0.067 0.488) 1.103 16.394 ( 2.891 -1.820 -0.459) 3.447 16.501 ( -1.665 -2.975 -0.103) 3.411 16.645 ( -0.509 -0.693 -0.774) 1.157 16.673 ( -1.921 1.478 1.631) 2.921 16.732 ( 1.008 -1.572 0.678) 1.987 16.777 ( -0.313 0.137 2.009) 2.038 16.897 ( 0.498 0.457 -1.592) 1.730 16.964 ( -1.103 -1.582 -2.040) 2.807 17.135 ( 0.357 2.803 -3.977) 4.878 17.223 ( -1.330 1.691 -0.184) 2.159 17.250 ( 0.162 0.684 -0.140) 0.716 27.169 ( -0.064 0.142 0.447) 0.473 27.181 ( 0.486 -0.537 0.280) 0.777 27.221 ( -0.070 -0.365 0.539) 0.655 27.249 ( -0.020 0.192 -0.339) 0.390 27.264 ( 0.082 0.467 -0.226) 0.526 27.278 ( -0.250 -0.191 -0.237) 0.394 29.272 ( -0.295 -0.827 -3.934) 4.031 29.430 ( 3.906 6.054 -1.163) 7.298 29.546 ( 0.378 -1.812 -0.899) 2.058 29.629 ( -6.574 -1.298 -0.025) 6.701 29.748 ( -1.442 0.317 0.158) 1.485 29.778 ( 0.131 0.449 1.702) 1.765 29.821 ( -1.543 -0.734 0.685) 1.841 29.856 ( -0.853 3.329 -2.167) 4.062 30.030 ( 2.875 -3.004 3.828) 5.652 30.144 ( -1.636 2.177 -1.376) 3.051 30.172 ( 4.490 0.176 -1.020) 4.607 30.381 ( 2.287 -2.440 -1.613) 3.713 30.519 ( -1.172 -1.218 7.914) 8.093 30.729 ( -0.820 0.844 9.090) 9.166 30.868 ( 0.626 -4.256 7.776) 8.886 31.446 ( -2.044 9.449 -3.345) 10.230 31.660 ( -5.538 0.293 -8.598) 10.231 31.796 ( 6.162 -6.110 -6.385) 10.774 ======================= Grid point 114 (35/50) ======================= q-point: (-0.17 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 3.074 2.171 12.489) 13.044 1.557 ( -8.842 9.707 3.495) 13.588 1.756 ( -7.611 10.900 11.449) 17.545 1.920 ( -3.696 4.169 13.127) 14.260 1.961 ( -8.215 9.764 4.195) 13.432 2.153 ( -0.870 -1.176 8.470) 8.595 2.218 ( -0.514 -2.738 1.787) 3.309 2.341 ( 5.028 -8.336 6.344) 11.619 2.426 ( -2.452 -12.306 6.644) 14.198 2.571 ( 5.540 -4.477 4.507) 8.429 2.661 ( 10.319 1.340 8.154) 13.220 2.819 ( 2.806 -4.962 2.178) 6.102 2.893 ( -3.333 1.853 3.062) 4.891 2.984 ( 3.404 -2.394 -0.393) 4.180 3.135 ( 2.231 -2.895 -0.666) 3.715 3.181 ( -4.556 0.550 -1.332) 4.778 3.272 ( 0.853 -0.234 -2.333) 2.495 3.314 ( 5.649 0.119 -2.043) 6.008 3.416 ( 1.555 -0.974 -1.711) 2.509 3.498 ( -3.897 8.420 8.625) 12.668 3.527 ( -0.819 1.579 -0.603) 1.878 3.660 ( 3.638 -0.947 -3.554) 5.173 3.703 ( 3.388 4.328 6.619) 8.603 3.770 ( -0.514 -2.453 11.070) 11.350 3.845 ( -2.609 -0.684 2.565) 3.722 3.902 ( -0.893 2.085 -2.633) 3.475 3.939 ( 2.356 3.094 -4.602) 6.025 4.041 ( -0.423 2.560 1.926) 3.231 4.087 ( -2.444 0.608 5.659) 6.195 4.168 ( 3.202 -6.229 5.503) 8.907 4.274 ( 2.414 -3.156 0.905) 4.075 4.387 ( -0.147 -3.630 2.480) 4.399 4.442 ( 3.837 -1.355 4.777) 6.275 4.639 ( -5.687 5.032 9.386) 12.073 4.762 ( -0.737 0.477 -5.568) 5.637 4.801 ( -2.630 -4.196 -4.908) 6.972 4.840 ( -1.119 0.999 -3.985) 4.258 4.959 ( -3.626 -1.388 -4.076) 5.629 5.039 ( 1.286 -3.263 1.050) 3.661 5.074 ( 0.552 1.890 -6.784) 7.064 5.219 ( 3.194 1.013 -5.335) 6.300 5.307 ( 3.610 -1.817 -2.891) 4.969 5.390 ( -0.736 2.024 -6.343) 6.699 5.447 ( -0.112 1.458 1.869) 2.373 5.534 ( 1.529 -2.434 -0.202) 2.881 5.708 ( -8.288 4.762 -1.290) 9.645 5.840 ( -0.424 -0.069 -2.146) 2.188 5.977 ( -0.670 0.590 -0.601) 1.076 6.112 ( -7.436 4.257 1.897) 8.776 6.238 ( -5.185 1.114 -1.056) 5.407 6.364 ( -0.645 0.779 0.190) 1.029 6.404 ( 1.185 1.903 3.165) 3.878 6.488 ( -0.863 3.074 2.527) 4.072 6.593 ( 2.835 0.832 -0.976) 3.111 6.605 ( 1.147 1.929 2.911) 3.676 6.669 ( -1.453 2.813 0.704) 3.243 6.711 ( -1.332 -5.550 3.220) 6.553 6.790 ( -0.740 1.518 2.847) 3.311 6.821 ( -0.152 -1.988 -0.407) 2.035 6.863 ( 4.656 -3.095 3.739) 6.726 7.093 ( -1.238 -0.705 4.181) 4.417 7.251 ( 1.933 0.838 -3.787) 4.333 7.282 ( -0.960 2.053 -4.289) 4.851 7.332 ( 1.037 1.580 -3.196) 3.712 7.352 ( -0.739 -4.448 -5.156) 6.849 7.450 ( 3.400 -1.399 -5.285) 6.438 7.654 ( -2.794 1.260 -0.778) 3.162 7.725 ( 2.677 3.483 -1.189) 4.551 7.819 ( 3.292 -8.233 -7.627) 11.695 11.997 ( 1.681 -0.705 -0.032) 1.823 12.135 ( -1.979 -0.449 2.851) 3.500 12.166 ( 0.675 0.469 5.102) 5.168 12.228 ( -0.767 0.861 -1.013) 1.535 12.401 ( 0.718 -1.340 1.108) 1.881 12.429 ( 1.027 2.274 -0.413) 2.529 12.522 ( 1.617 -1.954 -1.564) 2.980 12.600 ( -2.415 0.328 1.610) 2.921 12.681 ( 1.535 0.997 0.893) 2.037 12.728 ( 1.502 -3.325 -1.954) 4.139 13.036 ( -2.467 2.752 -1.371) 3.942 13.138 ( 0.504 -0.750 -1.788) 2.003 15.829 ( 0.155 -0.330 2.423) 2.450 15.886 ( -1.299 0.554 2.887) 3.214 15.927 ( 0.507 -1.109 2.596) 2.868 16.147 ( -0.129 -0.174 -2.832) 2.841 16.183 ( -0.377 0.326 -2.412) 2.463 16.223 ( 0.946 -1.374 -1.853) 2.493 16.319 ( -1.234 -0.639 0.532) 1.488 16.358 ( -1.534 -1.581 0.299) 2.223 16.507 ( 3.239 -0.502 -0.310) 3.292 16.633 ( -0.149 1.010 -0.627) 1.199 16.683 ( 0.371 1.952 1.298) 2.373 16.731 ( 0.794 -1.914 0.624) 2.164 16.779 ( 0.217 0.224 2.097) 2.120 16.889 ( -0.942 0.082 -1.180) 1.512 16.977 ( 2.865 -0.517 -2.359) 3.747 17.134 ( -2.748 1.200 -3.993) 4.994 17.220 ( -1.181 2.018 -0.269) 2.354 17.253 ( -0.322 0.161 -0.075) 0.368 27.171 ( 0.077 0.214 0.404) 0.463 27.178 ( -0.030 -0.714 0.304) 0.776 27.221 ( 0.368 -0.151 0.546) 0.676 27.252 ( 0.104 -0.027 -0.359) 0.375 27.265 ( -0.462 0.102 -0.170) 0.503 27.276 ( 0.184 0.245 -0.279) 0.414 29.279 ( 2.033 -0.737 -4.120) 4.653 29.419 ( -9.057 0.697 -0.543) 9.100 29.537 ( 1.672 -0.449 -0.755) 1.888 29.629 ( 4.213 3.930 -0.674) 5.801 29.741 ( -0.933 2.154 0.029) 2.348 29.780 ( -1.064 -0.865 1.449) 1.995 29.826 ( 2.375 1.084 -0.237) 2.621 29.879 ( -1.699 5.372 -0.472) 5.654 29.999 ( 0.154 -7.182 3.353) 7.927 30.140 ( -0.471 1.432 -0.906) 1.759 30.216 ( 0.411 -2.856 -0.960) 3.041 30.363 ( -0.683 -2.835 -2.017) 3.546 30.523 ( 2.324 0.032 7.728) 8.070 30.745 ( 0.608 0.783 8.913) 8.968 30.845 ( 1.420 -1.713 8.119) 8.418 31.529 ( -1.282 9.034 -3.902) 9.924 31.536 ( -5.879 0.747 -6.148) 8.539 31.841 ( 5.181 -7.009 -8.225) 11.984 ======================= Grid point 119 (36/50) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.000 0.000 11.270) 11.270 1.759 ( 0.000 0.000 -0.656) 0.656 1.930 ( -2.283 -4.567 11.168) 12.280 1.930 ( 2.283 4.567 11.168) 12.280 2.121 ( -1.105 -2.209 -1.989) 3.171 2.121 ( 1.105 2.209 -1.989) 3.171 2.151 ( 0.000 0.000 21.063) 21.063 2.342 ( -2.198 -4.396 6.240) 7.944 2.342 ( 2.198 4.396 6.240) 7.944 2.395 ( 0.000 -0.000 4.121) 4.121 2.667 ( -2.951 -5.902 9.950) 11.939 2.667 ( 2.951 5.902 9.950) 11.939 2.953 ( 0.000 0.000 -0.896) 0.896 3.033 ( -1.989 -3.978 -1.690) 4.758 3.033 ( 1.989 3.978 -1.690) 4.758 3.241 ( -0.787 -1.573 -7.209) 7.420 3.241 ( 0.787 1.573 -7.209) 7.420 3.260 ( -0.000 -0.000 0.436) 0.436 3.402 ( 0.000 0.000 -1.556) 1.556 3.565 ( -0.919 -1.837 -2.242) 3.041 3.565 ( 0.919 1.837 -2.242) 3.041 3.653 ( -0.000 0.000 0.303) 0.303 3.681 ( -1.096 -2.192 11.782) 12.034 3.681 ( 1.096 2.192 11.782) 12.034 3.902 ( 0.000 0.000 -6.154) 6.154 3.976 ( -1.561 -3.122 0.829) 3.587 3.976 ( 1.561 3.122 0.829) 3.587 3.986 ( -0.000 -0.000 8.365) 8.365 4.111 ( -1.198 -2.396 8.963) 9.355 4.111 ( 1.198 2.396 8.963) 9.355 4.234 ( -0.000 0.000 -0.447) 0.447 4.374 ( -1.123 -2.245 4.001) 4.723 4.374 ( 1.123 2.245 4.001) 4.723 4.728 ( 0.000 0.000 7.513) 7.513 4.776 ( -0.391 -0.781 -8.864) 8.907 4.776 ( 0.391 0.781 -8.864) 8.907 4.942 ( -2.865 -5.731 1.973) 6.704 4.942 ( 2.865 5.731 1.973) 6.704 5.007 ( 0.000 0.000 -4.279) 4.279 5.105 ( 0.000 0.000 -8.678) 8.678 5.200 ( -0.957 -1.913 -2.932) 3.629 5.200 ( 0.957 1.913 -2.932) 3.629 5.415 ( 0.000 0.000 -7.600) 7.600 5.480 ( -1.046 -2.091 0.929) 2.516 5.480 ( 1.046 2.091 0.929) 2.516 5.828 ( -1.001 -2.001 -2.134) 3.092 5.828 ( 1.001 2.001 -2.134) 3.092 5.987 ( 0.000 0.000 0.710) 0.710 6.214 ( 0.000 0.000 2.255) 2.255 6.332 ( -1.603 -3.205 -0.123) 3.586 6.332 ( 1.603 3.205 -0.123) 3.586 6.407 ( -0.000 0.000 0.557) 0.557 6.565 ( 0.000 -0.000 -1.676) 1.676 6.569 ( -1.832 -3.664 3.393) 5.319 6.569 ( 1.832 3.664 3.393) 5.319 6.671 ( 0.000 0.000 6.825) 6.825 6.733 ( -1.401 -2.801 0.204) 3.138 6.733 ( 1.401 2.801 0.204) 3.138 6.828 ( -0.886 -1.772 4.058) 4.516 6.828 ( 0.886 1.772 4.058) 4.516 7.093 ( 0.000 0.000 5.336) 5.336 7.275 ( -1.340 -2.679 -5.392) 6.168 7.275 ( 1.340 2.679 -5.392) 6.168 7.332 ( -0.000 0.000 -7.923) 7.923 7.368 ( -1.879 -3.757 -4.909) 6.461 7.368 ( 1.879 3.757 -4.909) 6.461 7.699 ( 0.000 -0.000 -1.466) 1.466 7.727 ( -1.238 -2.476 -3.555) 4.506 7.727 ( 1.238 2.476 -3.555) 4.506 11.978 ( 0.000 0.000 -0.250) 0.250 12.156 ( -0.347 -0.695 4.839) 4.901 12.156 ( 0.347 0.695 4.839) 4.901 12.240 ( 0.000 0.000 -3.098) 3.098 12.388 ( 0.000 0.000 2.189) 2.189 12.461 ( -1.678 -3.357 -1.751) 4.141 12.461 ( 1.678 3.357 -1.751) 4.141 12.663 ( -1.247 -2.494 0.119) 2.790 12.663 ( 1.247 2.494 0.119) 2.790 12.669 ( 0.000 -0.000 1.497) 1.497 13.103 ( -1.335 -2.669 -1.581) 3.377 13.103 ( 1.335 2.669 -1.581) 3.377 15.826 ( 0.000 0.000 2.547) 2.547 15.910 ( -0.366 -0.733 2.448) 2.581 15.910 ( 0.366 0.733 2.448) 2.581 16.146 ( 0.000 0.000 -1.938) 1.938 16.199 ( -0.488 -0.977 -2.192) 2.449 16.199 ( 0.488 0.977 -2.192) 2.449 16.347 ( -1.058 -2.117 0.019) 2.367 16.347 ( 1.058 2.117 0.019) 2.367 16.464 ( 0.000 0.000 0.234) 0.234 16.636 ( 0.000 0.000 -0.948) 0.948 16.702 ( -0.601 -1.203 0.932) 1.636 16.702 ( 0.601 1.203 0.932) 1.636 16.782 ( 0.000 0.000 1.522) 1.522 16.925 ( -1.016 -2.033 -1.441) 2.691 16.925 ( 1.016 2.033 -1.441) 2.691 17.164 ( 0.000 0.000 -4.297) 4.297 17.249 ( -0.376 -0.751 -0.150) 0.853 17.249 ( 0.376 0.751 -0.150) 0.853 27.173 ( -0.094 -0.189 0.406) 0.458 27.173 ( 0.094 0.189 0.406) 0.458 27.216 ( 0.000 0.000 0.546) 0.546 27.252 ( 0.000 0.000 -0.337) 0.337 27.273 ( -0.156 -0.313 -0.251) 0.431 27.273 ( 0.156 0.313 -0.251) 0.431 29.259 ( 0.000 0.000 -4.448) 4.448 29.520 ( 0.000 0.000 -0.937) 0.937 29.565 ( -2.447 -4.894 -0.772) 5.526 29.565 ( 2.447 4.894 -0.772) 5.526 29.773 ( -0.000 0.000 4.013) 4.013 29.778 ( -0.895 -1.789 -0.042) 2.001 29.778 ( 0.895 1.789 -0.042) 2.001 29.946 ( -1.557 -3.115 1.086) 3.648 29.946 ( 1.557 3.115 1.086) 3.648 30.177 ( -0.509 -1.018 -1.302) 1.729 30.177 ( 0.509 1.018 -1.302) 1.729 30.350 ( 0.000 0.000 -3.592) 3.592 30.502 ( 0.000 0.000 7.718) 7.718 30.783 ( -1.681 -3.362 9.195) 9.934 30.783 ( 1.681 3.362 9.195) 9.934 31.600 ( 0.000 0.000 -6.344) 6.344 31.670 ( -3.008 -6.017 -5.986) 9.004 31.670 ( 3.008 6.017 -5.986) 9.004 ======================= Grid point 129 (37/50) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 0.000 0.000 5.813) 5.813 1.356 ( -0.000 0.000 5.813) 5.813 1.600 ( 0.000 -0.000 6.695) 6.695 1.600 ( 0.000 0.000 6.695) 6.695 2.006 ( 0.000 0.000 15.516) 15.516 2.006 ( -0.000 0.000 15.516) 15.516 2.445 ( 0.000 -0.000 -11.749) 11.749 2.445 ( 0.000 0.000 -11.749) 11.749 2.909 ( 0.000 0.000 5.565) 5.565 2.968 ( 0.000 -0.000 5.801) 5.801 3.014 ( -0.000 0.000 5.436) 5.436 3.014 ( 0.000 -0.000 5.436) 5.436 3.095 ( 0.000 0.000 0.691) 0.691 3.212 ( 0.000 0.000 -12.542) 12.542 3.212 ( 0.000 -0.000 -12.542) 12.542 3.321 ( 0.000 0.000 -1.277) 1.277 3.321 ( 0.000 0.000 -1.277) 1.277 3.339 ( 0.000 0.000 22.964) 22.964 3.464 ( 0.000 0.000 6.205) 6.205 3.498 ( 0.000 0.000 8.159) 8.159 3.498 ( 0.000 0.000 8.159) 8.159 3.585 ( -0.000 -0.000 0.634) 0.634 3.649 ( 0.000 -0.000 -0.069) 0.069 3.649 ( 0.000 0.000 -0.069) 0.069 3.835 ( -0.000 0.000 -1.771) 1.771 3.847 ( 0.000 0.000 1.392) 1.392 3.847 ( 0.000 0.000 1.392) 1.392 4.045 ( 0.000 0.000 6.371) 6.371 4.133 ( 0.000 0.000 2.579) 2.579 4.318 ( 0.000 0.000 -1.676) 1.676 4.318 ( 0.000 0.000 -1.676) 1.676 4.474 ( 0.000 -0.000 -11.913) 11.913 4.550 ( 0.000 0.000 -7.747) 7.747 4.601 ( -0.000 0.000 1.528) 1.528 4.601 ( 0.000 0.000 1.528) 1.528 4.701 ( -0.000 -0.000 -6.134) 6.134 4.860 ( 0.000 0.000 8.025) 8.025 5.039 ( -0.000 -0.000 1.049) 1.049 5.039 ( 0.000 0.000 1.049) 1.049 5.047 ( 0.000 0.000 -9.521) 9.521 5.144 ( 0.000 0.000 -2.329) 2.329 5.144 ( 0.000 0.000 -2.329) 2.329 5.293 ( 0.000 0.000 -0.580) 0.580 5.293 ( 0.000 -0.000 -0.580) 0.580 5.604 ( 0.000 0.000 0.583) 0.583 5.604 ( 0.000 0.000 0.583) 0.583 5.631 ( 0.000 0.000 2.425) 2.425 5.720 ( -0.000 -0.000 -6.773) 6.773 5.948 ( 0.000 0.000 -0.290) 0.290 6.214 ( 0.000 0.000 1.389) 1.389 6.214 ( 0.000 0.000 1.389) 1.389 6.250 ( -0.000 0.000 -2.096) 2.096 6.250 ( 0.000 0.000 -2.096) 2.096 6.615 ( 0.000 -0.000 0.593) 0.593 6.615 ( 0.000 0.000 0.593) 0.593 6.674 ( 0.000 -0.000 5.782) 5.782 6.799 ( 0.000 0.000 -3.449) 3.449 6.891 ( 0.000 0.000 0.072) 0.072 6.891 ( 0.000 0.000 0.072) 0.072 6.986 ( 0.000 0.000 -2.705) 2.705 7.165 ( 0.000 0.000 2.490) 2.490 7.165 ( 0.000 -0.000 2.490) 2.490 7.233 ( 0.000 -0.000 -2.580) 2.580 7.233 ( 0.000 0.000 -2.580) 2.580 7.385 ( -0.000 0.000 0.096) 0.096 7.619 ( 0.000 -0.000 -0.444) 0.444 7.631 ( 0.000 -0.000 0.641) 0.641 7.631 ( 0.000 0.000 0.641) 0.641 8.138 ( 0.000 -0.000 -3.355) 3.355 12.072 ( 0.000 0.000 -0.094) 0.094 12.072 ( 0.000 0.000 -0.094) 0.094 12.199 ( 0.000 0.000 0.528) 0.528 12.199 ( 0.000 -0.000 0.528) 0.528 12.448 ( 0.000 0.000 9.251) 9.251 12.647 ( -0.000 0.000 1.890) 1.890 12.647 ( 0.000 0.000 1.890) 1.890 12.676 ( 0.000 0.000 0.182) 0.182 12.694 ( 0.000 -0.000 -2.296) 2.296 12.694 ( 0.000 -0.000 -2.296) 2.296 12.711 ( -0.000 0.000 -4.681) 4.681 13.088 ( 0.000 0.000 -3.206) 3.206 15.918 ( 0.000 0.000 3.808) 3.808 15.918 ( 0.000 0.000 3.808) 3.808 16.036 ( -0.000 0.000 -4.589) 4.589 16.036 ( 0.000 0.000 -4.589) 4.589 16.351 ( 0.000 0.000 0.241) 0.241 16.351 ( 0.000 -0.000 0.241) 0.241 16.368 ( 0.000 0.000 0.086) 0.086 16.404 ( -0.000 0.000 -0.775) 0.775 16.536 ( 0.000 0.000 -0.212) 0.212 16.536 ( 0.000 0.000 -0.212) 0.212 16.691 ( 0.000 0.000 0.566) 0.566 16.783 ( -0.000 0.000 0.719) 0.719 16.873 ( 0.000 0.000 2.493) 2.493 16.873 ( 0.000 0.000 2.493) 2.493 16.954 ( -0.000 0.000 -2.737) 2.737 16.954 ( 0.000 0.000 -2.737) 2.737 17.022 ( 0.000 -0.000 -0.274) 0.274 17.160 ( 0.000 0.000 0.515) 0.515 27.191 ( 0.000 0.000 0.036) 0.036 27.226 ( -0.000 0.000 0.054) 0.054 27.226 ( 0.000 0.000 0.054) 0.054 27.237 ( 0.000 0.000 -0.044) 0.044 27.251 ( 0.000 -0.000 -0.070) 0.070 27.251 ( 0.000 -0.000 -0.070) 0.070 29.287 ( 0.000 0.000 -0.466) 0.466 29.287 ( 0.000 0.000 -0.466) 0.466 29.526 ( 0.000 0.000 0.208) 0.208 29.526 ( 0.000 0.000 0.208) 0.208 29.604 ( 0.000 0.000 -0.951) 0.951 29.673 ( 0.000 0.000 -0.913) 0.913 29.673 ( 0.000 -0.000 -0.913) 0.913 29.958 ( 0.000 0.000 -1.755) 1.755 29.958 ( 0.000 0.000 -1.755) 1.755 30.019 ( -0.000 0.000 0.783) 0.783 30.632 ( 0.000 -0.000 3.152) 3.152 30.632 ( -0.000 -0.000 3.152) 3.152 30.684 ( -0.000 -0.000 0.743) 0.743 30.894 ( 0.000 0.000 4.019) 4.019 31.068 ( 0.000 0.000 1.708) 1.708 31.068 ( 0.000 -0.000 1.708) 1.708 31.230 ( 0.000 0.000 -1.764) 1.764 31.961 ( 0.000 -0.000 -5.137) 5.137 ======================= Grid point 130 (38/50) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -1.693 6.995 7.673) 10.520 1.425 ( 6.615 -2.012 3.957) 7.967 1.619 ( 0.687 3.064 6.231) 6.977 1.708 ( 10.438 -0.413 3.851) 11.133 1.968 ( 0.603 4.581 15.128) 15.818 2.116 ( 5.461 -0.703 18.072) 18.892 2.318 ( -2.686 -7.485 -12.541) 14.850 2.541 ( 0.685 7.106 -12.326) 14.244 2.802 ( -8.869 -1.562 6.429) 11.065 2.881 ( -6.915 -9.095 2.266) 11.647 2.933 ( -2.875 -2.343 1.795) 4.120 3.059 ( -2.196 -3.781 -0.889) 4.462 3.111 ( -0.752 2.001 -1.584) 2.661 3.175 ( -6.113 0.360 -3.228) 6.922 3.191 ( 4.323 0.971 -0.828) 4.507 3.239 ( -4.928 -4.560 -3.720) 7.676 3.330 ( -1.427 3.073 0.511) 3.426 3.377 ( -3.926 -0.813 12.033) 12.683 3.423 ( -3.690 -4.623 4.208) 7.260 3.482 ( 4.666 5.466 7.962) 10.726 3.516 ( 0.888 0.538 6.572) 6.653 3.559 ( -0.436 -1.622 4.018) 4.355 3.646 ( 0.862 1.225 -0.794) 1.695 3.674 ( 4.824 0.985 0.567) 4.956 3.847 ( -0.249 0.481 1.117) 1.241 3.907 ( 5.412 -0.187 2.294) 5.881 3.963 ( 5.231 6.077 -0.839) 8.062 4.038 ( -1.280 1.301 6.256) 6.517 4.140 ( 3.408 -1.161 0.757) 3.679 4.295 ( -5.415 3.630 1.919) 6.796 4.319 ( -1.123 -0.781 -7.249) 7.377 4.388 ( 0.531 -1.862 -5.855) 6.167 4.496 ( -0.873 -2.397 -3.857) 4.624 4.657 ( 6.267 -3.424 -4.274) 8.322 4.702 ( 2.722 2.781 3.776) 5.422 4.758 ( -4.397 -0.413 3.793) 5.822 4.821 ( -0.553 1.889 -5.686) 6.017 4.954 ( -2.245 1.136 -1.774) 3.079 5.017 ( -2.957 -0.836 2.109) 3.728 5.084 ( 0.041 -1.513 -0.524) 1.601 5.151 ( 3.972 -2.046 0.385) 4.484 5.202 ( 0.936 4.142 -4.324) 6.060 5.244 ( -1.660 -2.377 -1.391) 3.216 5.313 ( 3.994 0.299 -4.285) 5.865 5.576 ( -1.312 -1.034 1.213) 2.064 5.601 ( -1.098 0.042 -0.842) 1.384 5.732 ( 4.835 5.261 2.123) 7.454 5.815 ( 8.788 2.152 -3.920) 9.860 5.920 ( -1.813 -1.017 -0.647) 2.177 6.221 ( 1.509 -1.481 1.261) 2.462 6.236 ( 1.399 0.460 1.927) 2.426 6.287 ( 2.041 2.886 -0.942) 3.658 6.323 ( 6.414 4.349 -2.490) 8.139 6.585 ( -0.792 -1.243 0.830) 1.692 6.620 ( 0.117 0.866 0.590) 1.054 6.696 ( 0.422 0.664 2.624) 2.740 6.781 ( -2.197 -1.741 1.637) 3.246 6.870 ( -1.106 -1.435 0.144) 1.818 6.889 ( 0.029 2.474 -2.583) 3.577 7.013 ( 2.260 -0.187 -2.821) 3.620 7.095 ( -4.767 -1.723 1.747) 5.362 7.178 ( 0.599 -1.204 -0.393) 1.401 7.235 ( 1.388 0.318 -0.005) 1.424 7.256 ( 0.055 1.576 -1.551) 2.212 7.411 ( 0.498 0.187 0.161) 0.556 7.584 ( -3.742 0.260 -0.393) 3.772 7.595 ( -2.327 -1.164 -0.162) 2.607 7.618 ( 0.076 -2.464 0.359) 2.492 8.062 ( -6.276 -2.958 -3.620) 7.826 12.065 ( -1.139 0.763 -0.038) 1.372 12.105 ( 3.084 0.542 -0.360) 3.152 12.181 ( -0.400 -2.406 1.206) 2.721 12.215 ( 0.121 2.192 0.179) 2.203 12.445 ( -0.400 -0.301 8.134) 8.149 12.552 ( -4.757 -2.245 -0.406) 5.275 12.607 ( -1.268 -1.591 1.974) 2.835 12.643 ( -1.954 0.200 0.065) 1.965 12.687 ( -0.848 -2.162 -4.391) 4.967 12.724 ( 0.263 1.055 -2.466) 2.694 12.824 ( 6.123 3.503 0.099) 7.055 13.097 ( 0.782 0.397 -2.454) 2.606 15.911 ( -0.182 -0.174 4.176) 4.184 15.929 ( 0.543 0.250 3.176) 3.232 16.029 ( 0.473 -1.461 -4.122) 4.399 16.044 ( -0.709 1.660 -4.058) 4.441 16.173 ( -7.644 -4.675 1.322) 9.058 16.321 ( -3.561 -1.851 -0.354) 4.028 16.345 ( -0.349 -1.110 -0.192) 1.179 16.497 ( -2.792 -2.497 -0.062) 3.747 16.540 ( 1.266 1.084 -0.437) 1.723 16.545 ( 3.782 2.507 -0.763) 4.601 16.671 ( -0.353 -0.049 1.112) 1.168 16.783 ( -0.233 0.007 0.730) 0.767 16.878 ( -0.803 2.906 2.745) 4.078 16.884 ( -0.286 -1.383 2.251) 2.657 16.922 ( -0.895 -0.089 -3.393) 3.510 16.975 ( 1.963 -0.822 -3.096) 3.757 17.083 ( 4.436 2.323 -0.341) 5.019 17.194 ( 2.247 1.340 0.385) 2.645 27.183 ( -0.458 -0.285 0.129) 0.555 27.212 ( -0.798 -0.607 0.031) 1.003 27.231 ( 0.210 0.355 0.104) 0.425 27.245 ( 0.417 -0.010 -0.019) 0.417 27.247 ( -0.182 -0.041 -0.010) 0.187 27.262 ( 0.637 0.482 -0.196) 0.822 29.253 ( -0.887 -2.006 0.433) 2.236 29.323 ( 1.259 1.713 -2.178) 3.043 29.542 ( 2.040 1.810 1.241) 2.997 29.590 ( 2.780 1.576 -0.174) 3.200 29.621 ( 1.491 0.979 -0.909) 2.002 29.671 ( 1.294 1.899 -0.625) 2.381 29.696 ( 2.104 0.076 -1.568) 2.625 29.909 ( -3.037 -1.128 -1.041) 3.402 29.982 ( 2.292 1.269 -1.035) 2.817 30.064 ( 2.315 0.639 0.107) 2.403 30.514 ( -8.251 -7.600 2.705) 11.539 30.586 ( -7.028 -2.170 0.814) 7.401 30.642 ( 0.598 0.955 3.758) 3.924 30.892 ( -0.576 0.387 4.073) 4.131 31.047 ( -1.821 -0.868 1.303) 2.402 31.167 ( 6.940 2.999 2.297) 7.901 31.305 ( 5.646 3.658 -3.525) 7.595 31.917 ( -3.817 -2.196 -4.651) 6.405 ======================= Grid point 131 (39/50) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 5.106 8.931 5.825) 11.822 1.507 ( 1.459 3.248 7.908) 8.672 1.703 ( 10.149 -3.470 4.626) 11.681 1.908 ( 9.041 3.534 2.339) 9.985 2.079 ( 3.923 -4.402 6.788) 8.991 2.132 ( 2.576 2.531 12.345) 12.862 2.250 ( -1.359 -1.016 -7.940) 8.119 2.584 ( -5.206 -1.706 0.072) 5.479 2.649 ( -4.766 -0.225 3.410) 5.864 2.676 ( -7.082 -1.004 2.547) 7.593 2.815 ( -8.812 -9.364 -3.642) 13.364 2.872 ( -3.114 -0.192 1.373) 3.409 3.075 ( -5.528 0.264 3.212) 6.399 3.103 ( -4.074 -0.492 -7.851) 8.859 3.126 ( 1.760 -6.775 -2.113) 7.312 3.207 ( -7.483 1.126 2.316) 7.913 3.241 ( -5.518 -1.182 -1.554) 5.854 3.395 ( 3.889 2.217 0.360) 4.491 3.438 ( 2.859 1.390 1.523) 3.525 3.488 ( -0.768 -0.283 -1.735) 1.918 3.531 ( -1.848 0.559 5.966) 6.270 3.584 ( 0.808 3.649 1.119) 3.901 3.686 ( 1.985 0.474 -2.509) 3.234 3.825 ( 0.472 -1.303 -0.076) 1.388 3.883 ( 9.342 5.423 17.717) 20.751 3.994 ( 5.049 1.894 2.361) 5.886 4.041 ( 2.677 3.431 0.774) 4.420 4.067 ( -1.990 3.117 3.178) 4.876 4.177 ( 1.269 -4.203 2.269) 4.942 4.297 ( 2.596 5.843 -3.599) 7.337 4.333 ( 1.621 2.688 -3.245) 4.515 4.393 ( 0.483 -1.542 1.690) 2.338 4.474 ( 0.869 -1.578 -5.290) 5.589 4.570 ( -8.025 -6.322 2.874) 10.613 4.732 ( 0.195 -1.342 -5.869) 6.024 4.768 ( 3.261 2.118 7.695) 8.621 4.855 ( 1.023 1.772 -2.082) 2.919 4.927 ( -5.125 0.599 3.189) 6.066 4.947 ( 1.283 -0.802 1.282) 1.983 5.057 ( -0.977 -1.441 -0.261) 1.760 5.124 ( -1.914 -3.864 -4.786) 6.442 5.188 ( -0.551 -2.213 -2.129) 3.120 5.255 ( -0.871 -0.262 -7.309) 7.365 5.470 ( 7.648 2.264 -1.485) 8.113 5.567 ( 2.132 0.333 0.842) 2.316 5.580 ( -1.416 1.276 -0.828) 2.078 5.804 ( -0.843 -0.017 0.707) 1.100 5.906 ( 2.012 1.236 -0.871) 2.517 5.994 ( 7.617 0.854 -0.958) 7.724 6.231 ( 1.966 -1.686 -0.639) 2.667 6.270 ( 1.730 -0.097 4.238) 4.579 6.370 ( 3.063 4.803 0.873) 5.763 6.507 ( 8.464 3.857 -1.357) 9.400 6.584 ( 1.863 -1.057 0.320) 2.166 6.644 ( 1.555 0.800 0.538) 1.830 6.686 ( -2.115 1.307 0.597) 2.557 6.722 ( -1.860 -0.133 3.122) 3.636 6.820 ( -1.926 -3.157 -2.327) 4.369 6.907 ( -4.029 0.253 1.196) 4.211 6.999 ( -2.566 0.622 -4.003) 4.796 7.064 ( 3.970 -0.407 2.128) 4.523 7.189 ( 1.699 -0.407 -1.453) 2.272 7.248 ( -1.685 1.632 -0.676) 2.441 7.269 ( 0.493 0.496 0.688) 0.981 7.335 ( -5.048 -4.720 -0.748) 6.951 7.501 ( -6.536 2.060 -3.709) 7.792 7.581 ( 0.870 -0.936 -0.983) 1.613 7.618 ( 2.080 -0.714 1.062) 2.443 7.912 ( -6.742 -2.631 -3.570) 8.070 12.051 ( -1.307 0.716 -0.133) 1.496 12.138 ( -0.864 -2.272 0.734) 2.539 12.175 ( 3.450 0.442 0.048) 3.478 12.239 ( 0.013 2.010 0.680) 2.121 12.426 ( -1.224 -0.234 5.582) 5.720 12.480 ( -2.280 -0.430 0.069) 2.322 12.578 ( -1.214 -1.004 -0.787) 1.761 12.612 ( -1.292 0.323 -0.080) 1.334 12.648 ( -0.293 -2.362 -2.185) 3.231 12.729 ( -0.368 0.040 -1.249) 1.302 12.942 ( 3.822 2.511 0.278) 4.582 13.116 ( 0.725 0.285 -1.485) 1.677 15.903 ( -0.535 -0.504 3.895) 3.964 15.942 ( 0.484 0.542 1.826) 1.965 15.997 ( -3.276 -1.661 1.974) 4.170 16.032 ( 0.994 -1.806 -2.684) 3.384 16.099 ( 0.613 1.080 -2.429) 2.729 16.242 ( -3.380 -1.053 -1.308) 3.774 16.322 ( -0.855 -1.094 -0.041) 1.389 16.413 ( -3.268 -2.971 -0.283) 4.425 16.539 ( -0.637 0.735 -0.424) 1.061 16.616 ( 2.110 0.030 -0.309) 2.133 16.691 ( 1.238 1.379 0.475) 1.914 16.766 ( -1.425 -0.666 0.370) 1.616 16.855 ( -0.997 0.240 1.566) 1.872 16.889 ( -1.223 1.836 1.128) 2.478 16.933 ( 0.878 1.305 -1.701) 2.317 17.002 ( 2.357 -1.758 -2.848) 4.094 17.175 ( 3.347 1.655 -0.391) 3.755 17.236 ( 1.175 0.657 0.276) 1.375 27.176 ( -0.120 -0.147 0.230) 0.298 27.193 ( -0.695 -0.468 0.017) 0.838 27.235 ( 0.021 0.003 0.437) 0.437 27.242 ( -0.106 -0.005 -0.166) 0.197 27.254 ( 0.332 0.164 -0.064) 0.376 27.275 ( 0.300 0.281 -0.243) 0.477 29.230 ( 0.325 -1.696 0.057) 1.728 29.340 ( -0.696 0.927 -2.057) 2.362 29.576 ( -1.679 -0.511 -0.279) 1.778 29.610 ( 2.536 1.132 -0.686) 2.861 29.731 ( 6.616 4.017 0.481) 7.755 29.737 ( 2.641 0.493 -0.781) 2.798 29.769 ( 4.029 4.731 -0.546) 6.238 29.853 ( -2.306 -0.662 -1.125) 2.650 30.047 ( 1.684 1.333 1.047) 2.389 30.100 ( 3.795 0.395 -0.375) 3.834 30.261 ( -10.674 -9.122 2.822) 14.322 30.444 ( -7.033 -2.417 -0.683) 7.468 30.664 ( 0.738 0.655 4.064) 4.182 30.881 ( -1.408 1.157 4.025) 4.418 31.008 ( -1.132 -1.442 1.303) 2.250 31.298 ( 4.925 2.116 1.419) 5.545 31.462 ( 7.169 4.607 -5.061) 9.911 31.796 ( -6.572 -3.834 -3.217) 8.260 ======================= Grid point 132 (40/50) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.586 2.570 8.660) 9.052 1.615 ( 2.654 2.388 3.364) 4.906 1.801 ( 0.471 -5.863 3.068) 6.634 1.936 ( 3.755 -3.583 4.183) 6.666 2.096 ( -9.948 -4.100 1.400) 10.850 2.179 ( 5.350 2.637 -2.723) 6.557 2.263 ( 2.562 2.508 1.260) 3.800 2.429 ( -3.670 -2.209 8.984) 9.953 2.569 ( 1.360 1.784 9.798) 10.052 2.674 ( 0.133 0.488 2.250) 2.307 2.705 ( 3.320 -5.617 -2.116) 6.859 2.857 ( -2.568 5.339 -4.411) 7.386 2.991 ( -3.279 0.496 3.836) 5.071 3.059 ( -1.676 1.409 -2.833) 3.580 3.096 ( 0.471 -1.405 -2.651) 3.037 3.148 ( 0.389 0.864 2.243) 2.435 3.188 ( 0.333 2.656 -6.091) 6.653 3.408 ( -1.284 -1.053 1.703) 2.378 3.473 ( 0.221 -1.689 0.045) 1.704 3.513 ( -1.335 4.779 -0.637) 5.003 3.523 ( 1.588 0.194 0.314) 1.631 3.613 ( 0.071 1.687 -4.405) 4.718 3.715 ( 1.127 -1.673 -3.161) 3.750 3.797 ( -1.422 0.324 0.142) 1.465 3.982 ( -0.191 2.740 8.075) 8.529 4.045 ( -1.721 1.573 3.108) 3.885 4.059 ( -0.993 -0.387 4.156) 4.290 4.133 ( 0.501 -1.764 3.743) 4.168 4.245 ( 4.625 5.474 8.247) 10.925 4.318 ( -7.489 -6.672 8.673) 13.260 4.341 ( -3.215 0.285 0.452) 3.259 4.386 ( -0.264 0.758 1.744) 1.920 4.431 ( 4.167 0.149 -1.170) 4.331 4.507 ( 4.989 -0.641 -9.033) 10.339 4.683 ( -1.685 0.423 -5.589) 5.853 4.805 ( -0.284 -4.654 7.805) 9.091 4.880 ( -2.890 4.090 3.908) 6.352 4.909 ( 4.477 0.774 8.150) 9.331 4.995 ( 0.254 0.945 -4.827) 4.925 5.027 ( -0.682 1.058 -0.539) 1.369 5.079 ( 1.873 -1.671 -9.664) 9.985 5.159 ( 0.751 -3.841 -5.433) 6.696 5.222 ( 0.109 -1.736 -7.540) 7.738 5.538 ( -0.839 1.514 0.581) 1.826 5.568 ( -0.417 1.946 2.670) 3.330 5.612 ( -0.024 -2.918 -1.352) 3.216 5.784 ( 0.722 -0.255 -1.438) 1.629 5.940 ( 0.662 -0.692 -0.153) 0.970 6.060 ( 0.664 -2.488 0.093) 2.577 6.214 ( -1.445 -2.428 4.233) 5.089 6.319 ( 3.349 -0.174 -0.998) 3.499 6.467 ( 1.015 3.686 1.043) 3.963 6.553 ( -0.790 -2.089 -0.348) 2.261 6.646 ( -2.142 2.437 0.025) 3.245 6.664 ( 1.502 0.055 1.725) 2.287 6.692 ( 4.236 -2.168 -1.064) 4.876 6.736 ( 1.167 0.916 3.941) 4.211 6.751 ( -4.442 -4.028 2.364) 6.446 6.791 ( -1.064 -1.943 -1.593) 2.729 6.972 ( -2.967 1.932 -1.349) 3.789 7.139 ( 2.892 -0.349 6.230) 6.878 7.208 ( 0.894 2.394 -2.700) 3.717 7.230 ( -1.582 -0.929 -2.808) 3.354 7.270 ( -0.096 2.467 -1.988) 3.169 7.289 ( 2.273 1.520 -4.469) 5.239 7.416 ( -5.426 2.050 -3.599) 6.826 7.598 ( 2.866 -0.421 -3.448) 4.503 7.642 ( 0.401 -0.623 0.385) 0.835 7.820 ( -1.766 0.025 -0.669) 1.889 12.040 ( -0.933 1.297 0.107) 1.601 12.114 ( 0.829 -1.815 0.937) 2.204 12.215 ( 0.243 -0.399 0.302) 0.557 12.253 ( 0.071 0.869 0.279) 0.916 12.424 ( 0.562 1.798 3.185) 3.700 12.460 ( -0.132 0.769 0.703) 1.051 12.528 ( -2.382 -1.791 -2.217) 3.714 12.610 ( 0.199 0.267 0.836) 0.900 12.651 ( 1.841 -0.211 -1.643) 2.477 12.717 ( -0.613 -0.425 -0.059) 0.748 12.994 ( 0.402 0.421 -0.493) 0.763 13.120 ( -0.255 -0.200 -0.748) 0.815 15.891 ( -0.130 -0.069 3.389) 3.392 15.945 ( -0.329 -0.809 2.027) 2.207 15.961 ( 0.142 0.595 2.597) 2.668 16.041 ( 1.914 -1.510 -3.491) 4.258 16.132 ( 0.670 1.090 -1.856) 2.255 16.194 ( -1.207 -0.052 -1.787) 2.157 16.306 ( 0.009 -0.338 0.410) 0.531 16.355 ( -0.293 -0.716 0.300) 0.830 16.537 ( -0.472 0.811 -0.413) 1.025 16.632 ( 0.166 -0.598 -0.065) 0.624 16.723 ( -0.591 -0.550 0.598) 1.005 16.732 ( 0.294 0.758 -0.005) 0.813 16.859 ( 0.307 1.170 2.027) 2.360 16.874 ( -1.657 0.749 0.120) 1.822 16.960 ( 0.148 1.471 -2.040) 2.519 17.012 ( 1.156 -2.385 -2.573) 3.693 17.212 ( -0.111 -0.406 -0.112) 0.436 17.249 ( 0.226 0.080 0.071) 0.250 27.177 ( 0.215 0.044 0.201) 0.297 27.181 ( -0.219 -0.138 0.171) 0.310 27.234 ( 0.087 -0.316 0.513) 0.609 27.244 ( 0.042 0.357 -0.428) 0.558 27.258 ( 0.039 0.011 -0.018) 0.044 27.277 ( -0.131 0.040 -0.187) 0.232 29.230 ( 1.479 -1.522 -0.732) 2.245 29.331 ( -1.331 1.096 -1.044) 2.016 29.555 ( -0.507 0.712 -0.335) 0.936 29.637 ( -0.086 0.286 -1.959) 1.981 29.763 ( -0.088 -1.584 0.073) 1.588 29.793 ( 0.307 -0.630 1.831) 1.961 29.828 ( -0.979 1.763 -1.681) 2.625 29.933 ( -0.044 1.815 -0.327) 1.845 30.013 ( -1.517 -2.476 2.559) 3.871 30.080 ( 3.674 -0.785 1.027) 3.895 30.215 ( 2.286 2.549 0.262) 3.434 30.305 ( -2.853 -2.132 -1.629) 3.917 30.677 ( 0.074 0.611 3.632) 3.684 30.878 ( -0.125 1.108 3.206) 3.395 30.981 ( -0.773 -0.700 3.037) 3.211 31.369 ( 1.508 0.730 -1.718) 2.400 31.571 ( -3.328 -1.989 -2.018) 4.371 31.682 ( 2.208 1.310 -3.914) 4.681 ======================= Grid point 134 (41/50) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -9.490 -3.257 4.112) 10.843 1.601 ( -1.405 -5.029 -0.426) 5.239 1.675 ( -8.194 1.346 7.064) 10.902 1.904 ( -4.770 -7.104 8.887) 12.337 1.948 ( -2.375 -2.565 6.439) 7.327 2.199 ( 5.702 -2.398 -2.862) 6.816 2.324 ( -6.373 -5.988 14.084) 16.578 2.461 ( 8.155 6.125 -7.380) 12.589 2.681 ( 4.349 4.401 2.756) 6.774 2.716 ( 7.391 1.338 2.894) 8.049 2.793 ( 5.647 4.332 -0.145) 7.118 2.919 ( 5.444 5.731 -3.411) 8.609 3.002 ( 0.529 4.623 0.684) 4.703 3.045 ( -1.646 2.351 4.421) 5.271 3.151 ( 4.346 1.693 -4.118) 6.222 3.217 ( 5.491 1.782 1.006) 5.860 3.266 ( 3.763 1.629 -3.115) 5.150 3.400 ( 0.284 -1.251 -1.128) 1.708 3.433 ( -1.824 0.713 2.870) 3.474 3.518 ( -0.796 -1.145 -1.662) 2.170 3.524 ( -3.119 4.404 1.952) 5.739 3.638 ( -0.582 -0.652 -1.072) 1.383 3.665 ( -0.465 -3.601 -1.490) 3.925 3.808 ( -1.971 -0.171 4.103) 4.555 3.914 ( -10.292 -5.997 10.811) 16.086 3.961 ( -2.222 -2.455 4.708) 5.756 4.027 ( -4.286 -2.935 1.900) 5.531 4.058 ( -1.450 2.871 6.935) 7.644 4.168 ( -1.370 4.477 2.690) 5.400 4.290 ( -4.734 -1.069 -5.379) 7.245 4.318 ( -0.281 -3.341 0.991) 3.496 4.401 ( 1.756 -0.625 0.267) 1.883 4.513 ( 5.219 1.479 -1.532) 5.637 4.582 ( 3.101 -2.258 -5.642) 6.822 4.701 ( -0.465 2.708 -7.134) 7.644 4.774 ( 0.147 -2.155 6.824) 7.158 4.879 ( -3.091 3.609 1.624) 5.022 4.894 ( 1.663 -0.065 4.417) 4.720 5.023 ( -2.765 1.323 -2.481) 3.944 5.069 ( 5.951 -0.975 -0.540) 6.055 5.103 ( 1.396 -1.289 -5.072) 5.416 5.178 ( 3.193 -0.189 -2.643) 4.149 5.235 ( 1.565 0.360 -6.168) 6.374 5.458 ( -6.290 -6.931 0.595) 9.379 5.560 ( -1.643 1.223 1.032) 2.294 5.580 ( -0.397 1.409 -0.290) 1.492 5.825 ( 2.467 1.314 -1.295) 3.080 5.903 ( -2.737 -3.893 -0.771) 4.821 5.972 ( -5.347 -4.915 1.057) 7.340 6.190 ( 0.814 -0.964 2.336) 2.655 6.328 ( -1.608 -1.965 -0.540) 2.596 6.404 ( -4.996 -2.647 -1.601) 5.877 6.477 ( -8.322 -4.374 1.732) 9.560 6.591 ( -1.641 -0.910 -0.397) 1.918 6.624 ( -2.192 1.006 0.903) 2.576 6.699 ( 0.471 -0.086 -0.501) 0.693 6.756 ( 4.303 0.521 1.246) 4.510 6.783 ( 3.833 1.070 0.256) 3.988 6.859 ( -0.246 1.905 6.401) 6.683 6.967 ( 4.268 2.325 -3.473) 5.974 7.126 ( -2.190 -3.488 -0.149) 4.121 7.168 ( -2.122 -0.248 -1.444) 2.578 7.245 ( -0.881 0.439 -1.591) 1.871 7.303 ( -1.423 1.186 -1.031) 2.120 7.375 ( 4.414 1.817 -4.423) 6.507 7.430 ( 3.845 6.146 2.556) 7.687 7.609 ( -2.014 -2.050 0.126) 2.876 7.650 ( 2.131 -0.550 -5.498) 5.922 7.879 ( 5.929 5.022 -0.427) 7.781 12.046 ( -0.197 1.681 0.301) 1.719 12.130 ( 2.282 -1.126 1.104) 2.774 12.181 ( -2.307 -1.420 -0.415) 2.741 12.252 ( -1.075 0.212 0.330) 1.145 12.450 ( 0.573 0.851 3.582) 3.726 12.481 ( -0.297 -0.127 2.643) 2.662 12.523 ( 4.119 2.653 -2.149) 5.350 12.622 ( 0.557 0.916 1.216) 1.621 12.681 ( 1.409 -0.052 -4.590) 4.802 12.705 ( -0.290 -0.363 1.038) 1.137 12.956 ( -3.828 -2.088 -1.077) 4.492 13.109 ( -0.550 -0.385 -0.907) 1.128 15.897 ( 0.492 0.236 3.629) 3.669 15.942 ( 0.115 -0.308 4.323) 4.335 15.979 ( 1.265 0.999 -1.710) 2.350 16.076 ( 3.344 0.342 -2.661) 4.287 16.105 ( -2.696 -0.568 -3.513) 4.464 16.230 ( 3.746 1.309 -0.262) 3.977 16.314 ( 1.003 0.169 0.652) 1.208 16.399 ( 3.908 2.096 1.078) 4.564 16.539 ( -0.327 0.781 -0.369) 0.924 16.611 ( -1.784 -0.885 0.095) 1.994 16.684 ( -1.411 -1.343 0.991) 2.186 16.769 ( 1.278 0.957 0.210) 1.610 16.853 ( -1.233 1.175 2.112) 2.713 16.887 ( 0.857 1.684 0.130) 1.894 16.960 ( -0.812 -0.350 -2.634) 2.779 16.993 ( -0.572 -2.324 -2.633) 3.558 17.169 ( -3.015 -2.183 0.133) 3.725 17.240 ( -1.190 -0.746 -0.079) 1.407 27.177 ( 0.080 0.056 0.151) 0.180 27.191 ( 0.817 0.379 0.218) 0.927 27.233 ( 0.090 -0.174 0.362) 0.412 27.249 ( 0.095 0.267 -0.468) 0.547 27.254 ( -0.321 -0.246 -0.108) 0.419 27.272 ( -0.473 -0.132 -0.015) 0.491 29.247 ( 2.279 -1.643 -1.369) 3.125 29.318 ( -1.593 1.275 -0.145) 2.046 29.575 ( 1.013 1.929 -0.130) 2.183 29.616 ( -2.727 0.427 -1.633) 3.207 29.711 ( -2.570 -4.603 1.084) 5.382 29.742 ( -3.710 -4.132 1.643) 5.791 29.760 ( -6.310 -2.356 -1.093) 6.824 29.856 ( 0.918 3.066 -1.311) 3.458 30.072 ( 1.047 -0.483 -0.315) 1.196 30.105 ( -5.688 -3.338 -2.065) 6.911 30.273 ( 11.629 6.003 2.221) 13.274 30.416 ( 7.446 3.118 1.418) 8.196 30.676 ( -1.180 0.934 2.881) 3.250 30.890 ( 0.162 0.587 3.190) 3.247 30.979 ( 1.158 0.653 3.923) 4.142 31.353 ( -3.685 -1.894 -4.237) 5.926 31.405 ( -7.156 -4.609 1.058) 8.577 31.810 ( 5.862 3.443 -4.704) 8.267 ======================= Grid point 135 (42/50) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -4.223 2.610 7.718) 9.177 1.470 ( -4.412 -7.879 0.801) 9.065 1.598 ( -4.040 3.416 7.640) 9.293 1.724 ( -4.621 -9.647 3.434) 11.235 1.938 ( -0.336 3.109 17.730) 18.004 2.141 ( -5.800 -6.167 13.941) 16.310 2.315 ( 8.504 -1.404 -6.997) 11.102 2.528 ( -4.589 4.024 -14.812) 16.020 2.814 ( 5.719 5.406 4.659) 9.146 2.900 ( 6.659 2.994 2.846) 7.836 2.947 ( 8.834 -1.331 1.824) 9.118 3.025 ( 2.054 0.312 4.788) 5.220 3.061 ( 0.414 4.571 -3.491) 5.767 3.137 ( 4.939 4.208 0.718) 6.528 3.232 ( 1.320 3.936 -9.247) 10.136 3.254 ( -0.918 -1.041 -0.475) 1.467 3.311 ( 1.475 -1.109 4.228) 4.613 3.410 ( 3.596 2.978 6.900) 8.331 3.470 ( -1.674 4.989 2.034) 5.642 3.486 ( -3.659 -2.400 10.606) 11.473 3.499 ( 0.430 -2.410 4.059) 4.740 3.568 ( -2.749 -3.983 6.983) 8.496 3.637 ( -1.187 2.611 -0.210) 2.876 3.649 ( -1.154 -3.928 -0.940) 4.200 3.857 ( -0.303 -2.671 -1.645) 3.151 3.911 ( -1.079 -2.829 4.494) 5.419 3.934 ( -6.990 0.808 0.652) 7.066 4.047 ( -1.192 1.428 7.333) 7.565 4.158 ( -2.905 -4.937 -1.097) 5.832 4.248 ( 2.520 6.165 -0.063) 6.660 4.322 ( 1.746 1.654 -5.084) 5.624 4.406 ( 0.521 -1.371 -3.834) 4.105 4.554 ( -2.102 0.276 -8.871) 9.121 4.591 ( 2.822 -5.081 -0.687) 5.852 4.716 ( -3.396 -2.156 1.044) 4.155 4.772 ( 5.073 2.916 2.882) 6.523 4.827 ( -5.332 0.006 -2.176) 5.759 4.961 ( -0.807 1.970 -2.757) 3.483 5.007 ( 2.045 2.457 2.222) 3.893 5.096 ( 0.315 -1.088 0.991) 1.505 5.129 ( 2.611 -3.024 -4.109) 5.731 5.205 ( -3.154 0.584 -1.251) 3.443 5.255 ( 1.244 -0.279 -3.209) 3.453 5.302 ( -1.201 -2.640 -2.502) 3.830 5.576 ( 1.078 1.401 1.688) 2.444 5.594 ( 0.580 0.758 -0.381) 1.027 5.761 ( -9.017 -2.907 1.560) 9.602 5.792 ( -3.865 -5.636 -4.106) 7.973 5.917 ( 2.052 1.142 -0.582) 2.419 6.204 ( 1.263 -0.540 2.230) 2.619 6.261 ( -2.238 -2.779 0.437) 3.595 6.297 ( -4.419 -1.741 -1.859) 5.100 6.309 ( -6.160 -1.949 -1.325) 6.595 6.588 ( 1.684 -0.291 0.990) 1.975 6.611 ( -0.546 1.143 0.665) 1.430 6.698 ( -0.995 -0.286 2.048) 2.294 6.808 ( -0.054 -1.361 2.271) 2.648 6.848 ( 3.290 1.608 -0.985) 3.792 6.871 ( 0.767 3.155 -0.203) 3.253 7.022 ( -1.936 -2.693 -3.719) 4.983 7.117 ( 3.689 3.834 -0.342) 5.332 7.152 ( 0.771 -1.380 2.023) 2.567 7.230 ( -0.657 -0.526 -0.509) 0.984 7.269 ( -2.063 -0.315 -1.728) 2.710 7.416 ( -1.140 -0.746 -0.409) 1.423 7.560 ( 3.648 4.579 1.990) 6.183 7.588 ( 2.218 -0.300 -0.068) 2.239 7.653 ( -0.409 -1.007 -2.347) 2.586 8.055 ( 6.623 4.508 -2.957) 8.540 12.062 ( 0.080 1.411 0.284) 1.442 12.108 ( -1.966 -2.466 -0.610) 3.213 12.176 ( 1.908 -0.104 1.305) 2.314 12.224 ( -2.041 0.116 -0.113) 2.047 12.449 ( -0.129 -0.175 8.141) 8.144 12.538 ( 4.445 2.894 0.628) 5.341 12.622 ( 4.040 1.645 -1.777) 4.710 12.646 ( 1.032 0.932 1.254) 1.872 12.687 ( -1.238 0.437 0.768) 1.521 12.704 ( 0.883 -0.417 -5.186) 5.277 12.837 ( -6.357 -3.670 -0.972) 7.404 13.096 ( -0.549 -0.366 -2.326) 2.417 15.908 ( 0.478 0.234 3.851) 3.888 15.932 ( -0.640 -0.478 3.889) 3.970 16.016 ( 1.591 0.439 -3.980) 4.309 16.058 ( -1.875 -0.245 -4.604) 4.977 16.188 ( 7.072 4.107 -0.132) 8.179 16.318 ( 4.093 1.697 -0.092) 4.432 16.337 ( 1.210 0.075 0.651) 1.377 16.495 ( 3.934 1.527 0.248) 4.227 16.538 ( -0.727 0.313 -0.216) 0.821 16.540 ( -4.762 -2.387 -0.390) 5.341 16.666 ( 0.585 0.279 1.470) 1.607 16.783 ( 0.029 0.104 0.666) 0.675 16.858 ( 0.121 1.249 2.764) 3.035 16.914 ( -1.019 0.564 1.466) 1.872 16.931 ( -0.693 0.659 -3.096) 3.240 16.963 ( 0.453 -2.417 -3.447) 4.234 17.080 ( -4.005 -2.624 -0.075) 4.789 17.195 ( -2.403 -1.354 0.252) 2.769 27.183 ( 0.470 0.260 0.133) 0.553 27.211 ( 0.968 0.442 0.100) 1.069 27.231 ( -0.302 -0.044 0.115) 0.326 27.245 ( -0.350 -0.308 -0.098) 0.476 27.251 ( 0.071 -0.028 -0.303) 0.312 27.259 ( -0.703 -0.238 0.064) 0.745 29.272 ( 2.585 -2.081 -0.761) 3.405 29.299 ( -2.187 1.787 -0.432) 2.857 29.559 ( -3.761 0.593 -0.518) 3.843 29.581 ( -2.804 -3.830 0.658) 4.792 29.617 ( -0.673 -0.254 -0.379) 0.813 29.668 ( -1.500 0.125 -0.278) 1.531 29.693 ( -1.127 -1.728 -1.385) 2.485 29.908 ( 2.070 2.324 -0.945) 3.253 29.994 ( -2.776 -2.345 -2.188) 4.242 30.063 ( -1.824 -1.440 0.253) 2.338 30.514 ( 9.465 4.350 3.207) 10.899 30.576 ( 7.523 2.970 1.283) 8.189 30.655 ( -2.162 1.087 2.525) 3.497 30.893 ( -0.154 0.366 4.024) 4.043 31.029 ( 2.589 1.572 2.954) 4.231 31.189 ( -7.764 -5.222 0.595) 9.376 31.294 ( -4.423 -2.220 -2.695) 5.635 31.919 ( 3.532 2.051 -4.891) 6.372 ======================= Grid point 137 (43/50) ======================= q-point: ( 0.17 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 2.508 4.163 0.736) 4.916 1.564 ( 5.875 3.664 5.272) 8.702 1.655 ( -5.554 10.691 4.847) 12.986 1.815 ( 9.442 9.163 8.636) 15.738 1.986 ( 1.626 -4.615 15.831) 16.570 2.173 ( -2.035 7.516 13.390) 15.490 2.205 ( 1.173 -3.372 -7.642) 8.435 2.588 ( 0.779 -7.261 -6.041) 9.478 2.702 ( -3.816 -6.236 1.506) 7.465 2.788 ( -7.549 -2.690 6.700) 10.446 2.829 ( 2.584 -2.775 -3.356) 5.064 2.942 ( -4.111 -5.855 0.834) 7.202 3.019 ( -4.209 -6.316 -2.409) 7.963 3.131 ( -2.986 -5.293 -4.538) 7.584 3.180 ( 2.556 -4.713 1.896) 5.687 3.212 ( -5.371 0.057 -5.094) 7.402 3.283 ( 0.627 -5.535 2.068) 5.942 3.360 ( -0.418 -1.041 -5.124) 5.245 3.425 ( -3.477 2.095 -0.243) 4.066 3.510 ( 1.158 -0.304 5.362) 5.494 3.559 ( 0.112 1.578 3.062) 3.447 3.633 ( 0.924 7.109 3.330) 7.904 3.650 ( 1.835 -1.920 -0.589) 2.721 3.780 ( 8.187 13.107 12.571) 19.921 3.886 ( -2.029 1.221 1.851) 3.006 3.921 ( 4.811 1.944 0.624) 5.226 4.028 ( 2.370 1.118 0.104) 2.623 4.086 ( 0.320 1.510 3.509) 3.834 4.177 ( -1.439 6.130 1.175) 6.406 4.260 ( 0.732 -2.704 -2.289) 3.617 4.337 ( 4.681 0.505 -7.227) 8.626 4.396 ( -0.240 1.265 1.670) 2.109 4.502 ( -4.527 0.190 1.870) 4.902 4.561 ( -0.151 -5.381 0.790) 5.440 4.715 ( -0.945 0.068 -5.641) 5.720 4.759 ( 1.048 1.762 2.305) 3.084 4.878 ( 1.024 1.851 -1.808) 2.783 4.967 ( -2.133 -3.453 4.634) 6.160 4.986 ( -3.800 1.057 -5.152) 6.489 5.042 ( -0.640 -2.594 3.112) 4.102 5.099 ( 0.572 -2.818 -1.267) 3.142 5.186 ( -1.106 -2.228 0.101) 2.490 5.254 ( -0.107 -2.014 -6.827) 7.119 5.389 ( 5.485 8.954 1.695) 10.637 5.573 ( -0.503 0.741 0.555) 1.054 5.596 ( 0.249 -0.041 -2.038) 2.054 5.831 ( -0.865 2.118 2.720) 3.554 5.847 ( 2.245 -1.195 -3.024) 3.951 5.939 ( 3.617 6.015 1.403) 7.157 6.196 ( 0.803 -0.870 2.177) 2.478 6.272 ( -0.893 2.861 2.660) 4.007 6.372 ( 2.351 4.864 -2.046) 5.777 6.440 ( 4.829 6.832 -0.627) 8.390 6.566 ( -0.500 0.207 0.739) 0.916 6.636 ( 0.888 1.231 -0.335) 1.555 6.711 ( 0.203 0.101 -0.509) 0.557 6.755 ( -2.714 -1.605 5.349) 6.209 6.801 ( -0.376 -4.566 -0.804) 4.652 6.927 ( 3.038 0.205 0.065) 3.046 7.001 ( -0.672 -4.238 -2.700) 5.070 7.055 ( -2.925 1.066 0.233) 3.122 7.164 ( 1.284 1.654 -1.110) 2.370 7.260 ( 1.531 1.051 -0.847) 2.041 7.295 ( -0.433 2.712 -1.884) 3.330 7.367 ( -4.094 -4.453 -1.630) 6.265 7.548 ( 1.975 -4.422 1.701) 5.133 7.583 ( 1.167 2.297 -0.109) 2.579 7.606 ( -4.427 -0.075 -3.166) 5.443 7.947 ( -3.264 -7.981 -4.216) 9.598 12.064 ( -0.477 -0.749 -1.743) 1.956 12.124 ( 0.530 -1.227 2.041) 2.440 12.160 ( 0.199 2.447 1.250) 2.755 12.252 ( 0.504 1.321 -0.352) 1.457 12.443 ( -0.843 0.213 5.815) 5.879 12.495 ( -0.502 -2.129 -0.579) 2.263 12.562 ( -0.843 -3.805 -0.941) 4.009 12.631 ( -0.291 -1.281 1.550) 2.031 12.662 ( -2.868 -0.042 -2.863) 4.052 12.711 ( 1.052 -1.254 -1.244) 2.056 12.932 ( 2.660 5.764 -0.627) 6.379 13.106 ( 0.482 0.372 -1.402) 1.528 15.903 ( -0.035 -0.489 3.752) 3.784 15.938 ( 0.217 0.284 4.294) 4.309 15.996 ( -0.049 -1.790 -3.389) 3.833 16.057 ( -4.455 -2.945 -0.010) 5.341 16.101 ( 0.639 1.252 -2.762) 3.099 16.252 ( -0.961 -3.771 -0.789) 3.970 16.328 ( -0.229 -0.998 0.809) 1.305 16.426 ( -2.208 -4.278 0.914) 4.900 16.547 ( 0.109 0.042 -1.212) 1.217 16.594 ( 0.685 1.701 0.142) 1.839 16.675 ( 1.226 0.740 0.891) 1.686 16.777 ( -0.469 -0.738 0.303) 0.925 16.864 ( -0.187 -0.141 0.843) 0.875 16.928 ( -1.463 0.669 -3.170) 3.555 16.936 ( 2.249 -1.080 0.070) 2.496 16.963 ( -0.214 2.675 -1.174) 2.930 17.147 ( 2.426 3.584 0.206) 4.333 17.229 ( 0.821 1.686 0.133) 1.880 27.177 ( -0.178 -0.223 0.214) 0.356 27.196 ( -0.398 -0.852 0.175) 0.957 27.232 ( -0.032 -0.317 0.357) 0.478 27.246 ( -0.174 0.174 -0.246) 0.348 27.254 ( 0.187 0.510 -0.121) 0.557 27.272 ( 0.384 0.402 -0.229) 0.601 29.208 ( -1.684 -2.174 0.553) 2.805 29.376 ( 2.826 3.237 -1.643) 4.600 29.574 ( -0.855 2.032 -0.813) 2.350 29.602 ( -0.648 -1.226 -1.447) 2.005 29.665 ( 3.570 2.967 0.328) 4.654 29.711 ( 1.721 1.970 0.211) 2.625 29.756 ( 3.679 5.288 0.019) 6.442 29.899 ( -0.307 0.902 -2.776) 2.935 30.031 ( 1.765 3.130 -0.954) 3.718 30.070 ( -1.025 0.067 1.101) 1.506 30.323 ( -7.730 -10.779 4.055) 13.870 30.477 ( -1.543 -7.341 0.722) 7.536 30.669 ( -0.981 0.915 2.490) 2.829 30.903 ( 0.479 0.470 2.775) 2.855 30.994 ( -0.573 -2.994 2.867) 4.185 31.297 ( 1.741 8.733 1.276) 8.996 31.391 ( 5.409 4.002 -4.182) 7.922 31.839 ( -3.723 -5.534 -4.197) 7.881 ======================= Grid point 138 (44/50) ======================= q-point: ( 0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 2.326 -1.471 5.446) 6.102 1.592 ( 3.560 3.437 4.374) 6.604 1.835 ( 1.511 13.844 8.761) 16.453 1.887 ( -1.501 -2.765 7.187) 7.846 2.058 ( 5.257 2.345 0.797) 5.811 2.148 ( 0.222 -2.138 7.030) 7.351 2.328 ( 4.159 5.893 -0.689) 7.246 2.498 ( 0.049 -2.967 4.882) 5.713 2.585 ( -4.474 -5.366 2.427) 7.396 2.600 ( -9.442 -2.577 3.497) 10.393 2.754 ( -6.586 -3.037 6.844) 9.972 2.909 ( 5.275 -6.728 -2.957) 9.046 2.948 ( 2.443 1.158 -6.003) 6.584 3.054 ( -2.978 -1.761 -2.259) 4.132 3.089 ( -3.825 -0.119 -6.508) 7.550 3.196 ( 0.181 -0.436 -1.055) 1.156 3.221 ( -3.337 -2.645 -2.042) 4.722 3.367 ( 4.672 -3.777 -7.113) 9.310 3.412 ( 0.920 -0.611 1.555) 1.907 3.488 ( -2.606 -0.006 0.379) 2.633 3.559 ( -0.679 -0.438 1.039) 1.316 3.651 ( 2.225 -4.122 -2.743) 5.428 3.734 ( -0.952 8.010 -1.455) 8.196 3.865 ( -2.939 5.257 -1.063) 6.116 3.988 ( 2.303 1.452 5.318) 5.975 4.012 ( 3.155 1.404 0.827) 3.551 4.065 ( -0.693 -0.227 1.726) 1.874 4.158 ( 0.968 1.696 6.954) 7.223 4.177 ( 6.536 7.221 7.073) 12.037 4.314 ( 4.163 1.233 -2.174) 4.855 4.377 ( -0.756 -1.658 -0.392) 1.864 4.428 ( 1.036 2.145 0.151) 2.387 4.448 ( -4.062 -1.434 3.453) 5.521 4.466 ( -3.833 -0.556 0.850) 3.965 4.716 ( -1.008 -0.543 0.037) 1.146 4.769 ( -0.616 -1.575 1.819) 2.484 4.836 ( -0.035 -2.471 6.201) 6.675 4.927 ( 2.752 -2.817 -2.736) 4.796 4.994 ( -2.498 3.424 3.161) 5.287 5.037 ( -0.608 -4.395 -4.291) 6.173 5.043 ( 1.728 1.606 0.158) 2.364 5.150 ( -1.558 -2.049 0.228) 2.584 5.218 ( -1.178 -1.385 -9.963) 10.128 5.546 ( 2.600 1.746 1.430) 3.443 5.575 ( -0.157 2.867 0.660) 2.947 5.618 ( 0.717 2.783 -2.380) 3.732 5.778 ( -1.699 -2.592 -0.079) 3.100 5.892 ( 2.486 -1.846 1.799) 3.581 6.054 ( 1.899 3.902 3.029) 5.293 6.212 ( 0.893 0.267 3.069) 3.207 6.276 ( 0.262 -0.162 2.946) 2.962 6.477 ( 3.991 5.147 -0.922) 6.578 6.529 ( 0.436 -0.199 -0.059) 0.483 6.595 ( 2.978 2.049 0.001) 3.615 6.659 ( -0.164 0.520 0.789) 0.959 6.696 ( -1.286 -0.741 -0.454) 1.552 6.720 ( 0.131 -2.141 5.546) 5.946 6.744 ( -0.729 -2.782 0.477) 2.916 6.865 ( -5.693 -4.009 1.809) 7.194 6.987 ( 1.160 -1.328 -1.621) 2.395 7.085 ( 2.643 1.500 0.096) 3.040 7.204 ( 1.320 2.736 -3.608) 4.716 7.259 ( -2.039 -0.120 -0.368) 2.076 7.290 ( -1.088 -0.323 -3.516) 3.694 7.327 ( -0.146 5.811 -5.420) 7.948 7.515 ( -4.980 -0.951 -7.205) 8.810 7.544 ( 1.897 -3.040 1.881) 4.047 7.637 ( 1.132 2.582 0.882) 2.954 7.820 ( -2.150 -6.063 -3.659) 7.401 12.047 ( -0.135 -0.872 -2.174) 2.347 12.101 ( -0.522 -1.207 2.682) 2.988 12.211 ( 1.169 2.599 1.306) 3.135 12.264 ( -0.229 0.421 0.645) 0.804 12.434 ( -0.212 0.825 1.889) 2.072 12.477 ( -0.892 0.209 -1.463) 1.726 12.517 ( -0.219 -3.778 -2.257) 4.407 12.620 ( 0.084 -0.160 -0.321) 0.369 12.628 ( -0.689 -0.045 1.564) 1.710 12.706 ( 0.293 -1.538 0.064) 1.567 13.014 ( 0.694 4.072 -0.562) 4.169 13.112 ( 0.374 -0.787 -0.923) 1.269 15.897 ( -0.325 0.157 3.427) 3.445 15.940 ( 0.056 -1.355 2.621) 2.951 15.964 ( -0.881 -0.738 5.178) 5.304 16.002 ( 0.358 -0.921 -4.278) 4.391 16.140 ( 0.712 2.589 -2.614) 3.748 16.213 ( -0.924 -1.502 -1.838) 2.547 16.312 ( -0.626 -0.190 0.845) 1.069 16.354 ( -1.513 -2.628 0.744) 3.122 16.546 ( -0.147 0.050 -1.662) 1.669 16.606 ( 0.850 -0.917 0.676) 1.421 16.710 ( 1.595 0.842 0.382) 1.843 16.750 ( -1.553 -0.876 -0.225) 1.797 16.866 ( 0.173 1.319 -0.184) 1.343 16.907 ( -1.621 0.136 -1.249) 2.051 16.956 ( 1.574 -2.508 -2.145) 3.656 16.990 ( 0.155 2.876 0.104) 2.882 17.209 ( 1.254 1.706 0.123) 2.121 17.246 ( 0.129 0.170 0.236) 0.318 27.175 ( 0.046 0.085 0.302) 0.317 27.184 ( -0.310 -0.435 0.159) 0.557 27.226 ( 0.057 -0.564 0.546) 0.787 27.246 ( -0.012 0.087 -0.280) 0.294 27.262 ( 0.022 0.613 -0.140) 0.629 27.277 ( 0.104 -0.036 -0.299) 0.319 29.177 ( 0.569 -2.424 0.371) 2.518 29.429 ( -2.560 6.565 -1.598) 7.225 29.561 ( -0.442 -0.613 -1.790) 1.943 29.612 ( 2.127 -1.268 -1.991) 3.177 29.748 ( 0.583 1.570 1.132) 2.022 29.772 ( 4.125 1.451 -0.673) 4.424 29.823 ( 1.972 0.995 1.002) 2.425 29.950 ( 1.790 3.344 0.210) 3.798 30.028 ( -4.861 -0.903 -1.111) 5.067 30.062 ( -1.792 -4.809 3.897) 6.444 30.165 ( 3.322 2.499 0.779) 4.229 30.355 ( -5.097 -6.519 -1.303) 8.377 30.663 ( 0.446 -0.709 2.947) 3.064 30.909 ( -1.042 1.376 2.784) 3.275 30.966 ( 0.427 -1.966 2.873) 3.508 31.393 ( 0.175 6.876 -0.506) 6.896 31.535 ( 6.659 2.338 -4.296) 8.263 31.696 ( -5.463 -6.028 -2.700) 8.571 ======================= Grid point 139 (45/50) ======================= q-point: (-0.50 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 1.672 -5.278 2.697) 6.159 1.562 ( -4.908 0.178 4.740) 6.826 1.852 ( -5.950 5.439 11.189) 13.791 1.956 ( -1.904 -2.016 6.199) 6.790 2.000 ( -3.653 -1.060 2.532) 4.569 2.189 ( -8.186 -2.134 1.320) 8.562 2.256 ( 5.048 0.898 6.997) 8.674 2.445 ( -3.760 1.256 0.740) 4.033 2.617 ( 6.249 -0.566 0.610) 6.305 2.628 ( 6.596 5.380 7.156) 11.120 2.761 ( 6.714 4.925 3.856) 9.177 2.905 ( 2.389 -7.907 0.450) 8.272 2.965 ( 0.879 -2.850 -8.715) 9.211 3.022 ( 1.344 2.675 -3.253) 4.421 3.112 ( 1.416 4.482 1.739) 5.012 3.176 ( 2.081 -1.035 -5.539) 6.007 3.222 ( 1.414 0.442 -1.909) 2.417 3.356 ( 0.521 -3.430 -8.097) 8.809 3.438 ( 0.926 -2.437 1.654) 3.087 3.493 ( 2.141 2.661 1.166) 3.609 3.550 ( 1.865 -2.294 1.508) 3.319 3.643 ( 0.762 -2.445 -5.440) 6.012 3.729 ( -6.380 5.230 -3.065) 8.800 3.882 ( -2.102 5.412 0.761) 5.856 3.978 ( -2.105 -2.855 1.838) 3.995 4.010 ( -2.416 -1.025 2.976) 3.968 4.089 ( 0.380 0.677 1.378) 1.582 4.144 ( -11.855 -1.141 12.184) 17.038 4.184 ( 0.804 -1.625 3.866) 4.270 4.308 ( -3.575 -2.118 2.587) 4.895 4.360 ( -0.673 0.848 -0.759) 1.323 4.419 ( -0.932 -0.312 0.424) 1.070 4.430 ( 1.264 4.320 -1.565) 4.765 4.509 ( 4.127 0.347 1.404) 4.373 4.709 ( 1.560 0.052 3.280) 3.632 4.759 ( 1.035 1.397 0.292) 1.763 4.885 ( -0.209 -1.823 -2.138) 2.817 4.905 ( 5.499 -3.964 6.572) 9.441 4.986 ( -1.272 2.427 0.651) 2.817 5.038 ( 3.274 -0.491 -4.117) 5.283 5.060 ( -2.258 -2.379 -3.054) 4.481 5.137 ( 2.514 1.423 0.596) 2.949 5.214 ( 1.038 0.589 -7.949) 8.038 5.526 ( -4.085 0.412 0.825) 4.188 5.592 ( -0.807 -0.021 -0.800) 1.136 5.621 ( -3.335 1.051 0.654) 3.558 5.779 ( 3.501 -0.056 -1.052) 3.656 5.883 ( -0.498 -2.877 2.073) 3.581 6.051 ( -4.559 0.454 3.664) 5.867 6.197 ( -1.682 0.471 3.699) 4.090 6.299 ( 1.991 -1.712 1.924) 3.255 6.464 ( -4.412 -0.816 -3.163) 5.490 6.567 ( -4.581 -3.567 2.047) 6.156 6.617 ( -1.094 -0.671 1.346) 1.860 6.650 ( 1.957 0.546 1.786) 2.705 6.689 ( -0.768 0.323 1.292) 1.537 6.704 ( 5.122 0.336 2.065) 5.533 6.731 ( -1.910 -0.328 -1.380) 2.379 6.829 ( 4.979 4.460 2.022) 6.983 6.981 ( -1.071 -0.315 -2.384) 2.633 7.105 ( -0.575 -2.769 4.184) 5.050 7.216 ( -2.590 -0.382 -4.042) 4.815 7.260 ( 0.564 1.568 -2.135) 2.708 7.293 ( 2.647 -0.082 -3.439) 4.341 7.365 ( -3.943 1.733 -6.068) 7.441 7.454 ( 0.839 3.955 -1.739) 4.401 7.577 ( 4.138 -1.985 -3.733) 5.916 7.641 ( -2.652 0.185 -0.254) 2.670 7.807 ( 5.241 -0.471 -1.834) 5.573 12.048 ( 0.902 -0.320 -2.176) 2.377 12.097 ( 0.848 0.008 2.875) 2.997 12.215 ( -2.410 0.138 1.247) 2.717 12.264 ( -0.131 0.326 0.464) 0.582 12.450 ( 0.029 -0.260 1.558) 1.579 12.482 ( 1.193 1.297 -0.297) 1.787 12.486 ( 0.740 -0.598 -2.932) 3.083 12.620 ( 0.120 -0.020 2.365) 2.368 12.643 ( 2.069 -0.476 -1.636) 2.680 12.699 ( 0.342 -0.673 0.489) 0.900 13.018 ( -3.488 1.201 -1.005) 3.823 13.109 ( 0.286 -0.583 -0.629) 0.904 15.897 ( -0.130 0.448 3.514) 3.545 15.931 ( 0.690 -0.277 3.360) 3.442 15.971 ( 0.942 0.100 3.040) 3.184 16.011 ( 2.074 -1.357 -3.210) 4.056 16.148 ( -2.362 0.140 -3.046) 3.857 16.198 ( 0.963 0.825 -1.533) 1.989 16.311 ( 0.329 0.472 0.859) 1.034 16.352 ( 2.812 0.195 1.291) 3.100 16.546 ( -0.015 0.174 -1.646) 1.655 16.609 ( 0.625 -1.278 0.785) 1.625 16.703 ( -1.935 -0.471 0.220) 2.004 16.753 ( 1.454 0.618 -0.005) 1.580 16.877 ( -1.130 -0.371 0.159) 1.200 16.897 ( 0.634 2.572 -0.779) 2.762 16.946 ( 0.285 -2.220 -3.005) 3.747 17.003 ( -1.002 0.451 -0.176) 1.113 17.206 ( -2.328 -0.068 0.394) 2.362 17.248 ( -0.118 -0.138 0.050) 0.188 27.177 ( -0.133 -0.147 0.215) 0.292 27.181 ( 0.540 0.219 0.293) 0.652 27.226 ( 0.381 -0.290 0.466) 0.668 27.247 ( 0.086 -0.040 -0.267) 0.284 27.263 ( -0.487 0.271 -0.203) 0.593 27.277 ( -0.099 -0.072 -0.237) 0.267 29.178 ( 2.020 -1.837 0.266) 2.743 29.424 ( -4.773 5.479 -1.507) 7.421 29.570 ( 1.117 0.916 -1.737) 2.259 29.615 ( 0.625 -3.462 -1.919) 4.007 29.726 ( -3.040 0.069 0.538) 3.088 29.785 ( -4.281 -2.086 1.330) 4.945 29.822 ( -1.279 -1.997 0.036) 2.372 29.917 ( -2.934 3.639 -0.113) 4.675 30.039 ( 4.633 -1.887 1.725) 5.291 30.091 ( 3.851 2.096 1.863) 4.764 30.190 ( -3.711 -3.906 -1.701) 5.650 30.322 ( 7.602 3.246 0.266) 8.270 30.671 ( 1.193 -1.020 2.668) 3.096 30.904 ( -0.798 1.466 1.818) 2.468 30.964 ( 0.839 -0.857 4.275) 4.440 31.426 ( -3.283 4.197 -3.430) 6.337 31.490 ( -7.567 -4.521 -0.244) 8.818 31.711 ( 7.778 0.540 -4.105) 8.812 ======================= Grid point 144 (46/50) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -0.000 -0.000 6.080) 6.080 1.666 ( 0.000 -0.000 6.168) 6.168 1.904 ( -2.572 -5.144 5.420) 7.902 1.904 ( 2.572 5.144 5.420) 7.902 2.116 ( -3.855 -7.709 7.941) 11.719 2.116 ( 3.855 7.709 7.941) 11.719 2.447 ( -0.000 -0.000 -2.245) 2.245 2.493 ( -0.873 -1.746 -1.924) 2.741 2.493 ( 0.873 1.746 -1.924) 2.741 2.596 ( 0.000 -0.000 5.798) 5.798 2.719 ( -1.210 -2.421 8.189) 8.624 2.719 ( 1.210 2.421 8.189) 8.624 3.018 ( -0.760 -1.521 -7.600) 7.788 3.018 ( 0.760 1.521 -7.600) 7.788 3.147 ( 0.000 -0.000 -3.264) 3.264 3.168 ( -1.677 -3.354 -2.815) 4.689 3.168 ( 1.677 3.353 -2.815) 4.689 3.338 ( 0.000 -0.000 -13.433) 13.433 3.424 ( 0.000 -0.000 5.774) 5.774 3.493 ( -0.659 -1.319 0.675) 1.622 3.493 ( 0.659 1.319 0.675) 1.622 3.613 ( -0.000 0.000 -7.083) 7.083 3.827 ( -0.000 -0.000 -3.277) 3.277 3.957 ( -1.230 -2.459 0.700) 2.837 3.957 ( 1.230 2.459 0.700) 2.837 4.068 ( -0.404 -0.808 0.862) 1.249 4.068 ( 0.404 0.808 0.862) 1.249 4.082 ( -0.000 -0.000 0.226) 0.226 4.337 ( -0.663 -1.326 2.512) 2.917 4.337 ( 0.663 1.326 2.512) 2.917 4.350 ( -0.000 -0.000 10.704) 10.704 4.433 ( -0.863 -1.726 0.622) 2.027 4.433 ( 0.863 1.726 0.622) 2.027 4.501 ( -0.000 -0.000 3.844) 3.844 4.706 ( -1.195 -2.390 10.207) 10.551 4.706 ( 1.195 2.390 10.207) 10.551 4.855 ( -1.254 -2.508 -7.871) 8.355 4.855 ( 1.254 2.508 -7.871) 8.355 4.962 ( -0.000 -0.000 2.268) 2.268 5.040 ( -0.000 -0.000 6.055) 6.055 5.101 ( -1.242 -2.484 -1.574) 3.192 5.101 ( 1.242 2.484 -1.574) 3.192 5.206 ( -0.000 -0.000 -10.368) 10.368 5.580 ( -0.762 -1.523 -1.966) 2.601 5.580 ( 0.762 1.523 -1.966) 2.601 5.706 ( -1.977 -3.954 1.318) 4.613 5.706 ( 1.977 3.954 1.318) 4.613 5.875 ( 0.000 -0.000 4.026) 4.026 6.097 ( -0.000 -0.000 4.472) 4.472 6.246 ( -1.192 -2.384 3.729) 4.584 6.246 ( 1.192 2.384 3.729) 4.584 6.532 ( -0.000 -0.000 -6.354) 6.354 6.573 ( -1.512 -3.023 2.939) 4.479 6.573 ( 1.512 3.023 2.939) 4.479 6.658 ( -0.539 -1.079 1.462) 1.895 6.658 ( 0.539 1.079 1.462) 1.895 6.670 ( -0.000 0.000 0.149) 0.149 6.793 ( -1.462 -2.924 2.310) 4.003 6.793 ( 1.462 2.924 2.310) 4.003 6.971 ( -0.000 -0.000 1.925) 1.925 7.096 ( -0.000 -0.000 -3.095) 3.095 7.254 ( -0.534 -1.068 -2.166) 2.473 7.254 ( 0.534 1.068 -2.166) 2.473 7.286 ( -0.000 -0.000 -4.513) 4.513 7.456 ( -2.059 -4.119 -9.387) 10.456 7.456 ( 2.059 4.119 -9.387) 10.456 7.494 ( 0.000 -0.000 4.691) 4.691 7.708 ( -2.077 -4.154 -1.107) 4.774 7.708 ( 2.077 4.154 -1.107) 4.774 12.035 ( -0.000 -0.000 -2.428) 2.428 12.090 ( -0.000 -0.000 2.809) 2.809 12.255 ( -0.638 -1.277 1.753) 2.260 12.255 ( 0.638 1.277 1.753) 2.260 12.455 ( -0.592 -1.184 -2.263) 2.622 12.455 ( 0.592 1.184 -2.263) 2.622 12.491 ( -0.000 -0.000 -2.253) 2.253 12.620 ( -0.126 -0.253 1.766) 1.789 12.620 ( 0.126 0.253 1.766) 1.789 12.690 ( -0.000 -0.000 0.946) 0.946 13.081 ( -1.104 -2.208 -0.812) 2.599 13.081 ( 1.104 2.208 -0.812) 2.599 15.912 ( -0.526 -1.052 3.315) 3.517 15.912 ( 0.526 1.052 3.315) 3.517 15.955 ( -0.000 -0.000 5.339) 5.339 15.996 ( -0.000 -0.000 -4.384) 4.384 16.185 ( -0.705 -1.409 -2.310) 2.797 16.185 ( 0.705 1.409 -2.310) 2.797 16.317 ( -0.465 -0.930 1.230) 1.611 16.317 ( 0.465 0.930 1.230) 1.611 16.545 ( -0.000 -0.000 -2.320) 2.320 16.594 ( -0.000 -0.000 1.123) 1.123 16.731 ( -0.546 -1.092 -0.186) 1.235 16.731 ( 0.546 1.092 -0.186) 1.235 16.892 ( 0.000 -0.000 -1.449) 1.449 16.913 ( -0.596 -1.192 -1.052) 1.699 16.913 ( 0.596 1.192 -1.052) 1.699 17.019 ( -0.000 -0.000 -0.229) 0.229 17.238 ( -0.483 -0.967 0.265) 1.113 17.238 ( 0.483 0.967 0.265) 1.113 27.178 ( -0.058 -0.116 0.280) 0.308 27.178 ( 0.058 0.116 0.280) 0.308 27.220 ( 0.000 -0.000 0.533) 0.533 27.246 ( -0.000 -0.000 -0.225) 0.225 27.273 ( -0.182 -0.364 -0.271) 0.489 27.273 ( 0.182 0.364 -0.271) 0.489 29.152 ( -0.000 -0.000 0.240) 0.240 29.549 ( -2.092 -4.183 -1.576) 4.935 29.549 ( 2.092 4.183 -1.576) 4.935 29.560 ( 0.000 0.000 -2.676) 2.676 29.798 ( -0.991 -1.982 -1.175) 2.509 29.798 ( 0.991 1.982 -1.175) 2.509 29.812 ( 0.000 -0.000 1.658) 1.658 29.936 ( -0.428 -0.856 5.211) 5.298 29.936 ( 0.428 0.856 5.211) 5.298 30.184 ( -2.542 -5.084 -3.297) 6.571 30.184 ( 2.542 5.084 -3.297) 6.571 30.228 ( 0.000 -0.000 1.167) 1.167 30.650 ( 0.000 -0.000 2.703) 2.703 30.936 ( -0.677 -1.354 3.162) 3.505 30.936 ( 0.677 1.354 3.162) 3.505 31.506 ( 0.000 -0.000 -2.822) 2.822 31.576 ( -2.420 -4.841 -2.518) 5.969 31.576 ( 2.420 4.841 -2.518) 5.969 ======================= Grid point 149 (47/50) ======================= q-point: (-0.17 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -2.215 6.706 7.027) 9.963 1.524 ( 3.007 2.424 8.062) 8.939 1.707 ( -10.107 9.980 0.531) 14.214 1.914 ( -4.197 7.298 4.798) 9.690 1.960 ( -5.390 3.557 5.474) 8.465 2.243 ( 0.486 5.359 10.199) 11.531 2.335 ( 2.686 0.364 -0.165) 2.716 2.449 ( -2.156 -4.790 -11.502) 12.645 2.694 ( 4.387 -3.558 6.441) 8.567 2.781 ( 11.006 -10.752 -1.407) 15.451 2.855 ( -0.614 -4.567 1.703) 4.913 2.969 ( 6.118 -4.786 1.005) 7.833 2.979 ( -1.943 -10.050 2.619) 10.566 3.043 ( -1.550 -5.138 -2.045) 5.743 3.165 ( 3.603 -5.754 -0.176) 6.791 3.260 ( 0.750 -1.209 -0.839) 1.652 3.288 ( 6.005 0.128 -0.507) 6.028 3.321 ( 3.708 -4.735 0.485) 6.034 3.414 ( -4.497 0.848 1.739) 4.895 3.511 ( 2.478 -2.470 2.641) 4.384 3.526 ( -1.362 2.297 4.397) 5.144 3.574 ( 1.960 4.193 2.647) 5.332 3.686 ( -2.743 3.469 -0.246) 4.429 3.821 ( -7.149 10.960 12.043) 17.783 3.889 ( 0.285 -0.023 0.654) 0.714 3.932 ( -0.326 0.343 2.848) 2.887 4.004 ( -1.798 2.495 1.167) 3.289 4.032 ( -1.796 0.966 7.783) 8.046 4.146 ( -2.567 -2.244 1.491) 3.721 4.272 ( -3.283 4.645 -0.984) 5.773 4.290 ( 3.231 -0.083 -2.251) 3.939 4.429 ( -0.837 1.507 -2.559) 3.086 4.528 ( 3.089 -0.809 -5.260) 6.153 4.653 ( 3.527 -4.016 -1.762) 5.628 4.681 ( -3.046 -1.698 -6.669) 7.526 4.781 ( -1.481 4.092 4.165) 6.024 4.832 ( 0.370 1.159 1.322) 1.797 4.919 ( 1.111 -2.334 2.703) 3.740 4.971 ( 1.007 0.072 2.083) 2.315 5.087 ( 2.127 -0.379 -1.166) 2.455 5.168 ( -0.557 -3.287 -8.827) 9.435 5.202 ( -1.225 0.001 -0.654) 1.389 5.232 ( 1.700 0.194 -4.537) 4.849 5.467 ( -6.862 10.187 -5.127) 13.310 5.543 ( 0.249 -2.034 2.864) 3.522 5.572 ( 0.625 -1.076 0.291) 1.277 5.811 ( 0.714 2.918 0.642) 3.072 5.886 ( -1.109 0.715 -2.796) 3.092 5.981 ( -6.059 8.119 -2.033) 10.333 6.241 ( -2.859 -0.523 -0.688) 2.987 6.284 ( 0.593 3.464 0.679) 3.579 6.340 ( 0.271 5.008 0.366) 5.029 6.439 ( -6.302 7.855 0.288) 10.074 6.582 ( -0.174 -0.272 -0.602) 0.683 6.617 ( -1.502 0.028 1.750) 2.306 6.694 ( 0.971 0.378 -0.089) 1.046 6.756 ( 4.267 -1.637 3.411) 5.703 6.829 ( -0.671 -3.459 0.436) 3.551 6.877 ( -2.956 0.369 0.835) 3.094 7.007 ( 3.734 -5.281 -0.453) 6.484 7.080 ( -0.389 4.091 -3.995) 5.731 7.181 ( -1.611 -0.180 -0.228) 1.637 7.239 ( 0.462 -0.936 0.770) 1.297 7.269 ( 0.637 1.761 0.379) 1.911 7.393 ( 2.365 -3.851 -3.982) 6.023 7.459 ( 1.881 -6.314 3.740) 7.576 7.608 ( -0.559 1.705 -0.650) 1.908 7.642 ( 1.864 1.061 -3.010) 3.696 7.920 ( 3.728 -9.195 -1.524) 10.038 12.035 ( 0.617 -1.615 1.083) 2.040 12.162 ( -0.682 2.555 -1.740) 3.166 12.182 ( -1.821 -0.988 -0.477) 2.126 12.218 ( 1.177 1.834 2.529) 3.339 12.442 ( 1.271 -0.131 5.739) 5.879 12.483 ( 1.263 -2.810 1.759) 3.548 12.562 ( 0.787 -4.419 -2.336) 5.060 12.619 ( 0.737 -0.490 0.611) 1.076 12.693 ( 1.480 0.168 -0.816) 1.698 12.702 ( -1.155 -1.029 -2.766) 3.170 12.928 ( -2.435 5.620 -0.241) 6.129 13.108 ( -0.560 0.423 -1.604) 1.751 15.905 ( -0.106 -0.500 4.141) 4.172 15.939 ( 0.098 0.460 2.266) 2.314 15.998 ( 0.345 -2.746 -0.863) 2.899 16.066 ( 0.585 2.491 -3.567) 4.390 16.101 ( 1.537 -2.190 -1.652) 3.145 16.252 ( 2.228 -3.561 -0.726) 4.263 16.341 ( 0.250 -0.886 -0.363) 0.989 16.443 ( 1.293 -4.315 -0.676) 4.555 16.525 ( 0.463 -0.690 0.887) 1.215 16.601 ( -1.997 1.711 -0.607) 2.698 16.672 ( -0.371 1.145 1.318) 1.785 16.774 ( 0.642 -0.910 0.533) 1.235 16.834 ( 0.364 -1.276 3.030) 3.308 16.888 ( 0.545 -0.295 0.760) 0.981 16.934 ( 0.726 0.976 -1.397) 1.852 17.015 ( -1.831 2.027 -3.968) 4.817 17.154 ( -2.372 3.785 -0.460) 4.491 17.230 ( -0.863 1.815 0.091) 2.012 27.178 ( 0.117 -0.221 0.160) 0.297 27.198 ( 0.390 -0.849 0.003) 0.934 27.232 ( 0.042 0.051 0.334) 0.340 27.245 ( 0.211 -0.080 -0.218) 0.314 27.254 ( -0.179 0.475 -0.162) 0.532 27.269 ( -0.379 0.334 0.008) 0.505 29.236 ( 1.748 -1.728 -2.152) 3.267 29.364 ( -2.973 3.434 -0.518) 4.572 29.560 ( -1.461 0.667 0.616) 1.720 29.580 ( 1.168 -1.814 0.570) 2.231 29.674 ( -1.024 4.024 -0.484) 4.180 29.732 ( -1.659 2.240 -1.738) 3.285 29.746 ( -3.981 6.920 0.720) 8.016 29.865 ( 0.494 -2.384 0.412) 2.469 30.037 ( 0.027 4.365 -1.369) 4.575 30.094 ( -1.088 0.259 -0.872) 1.418 30.364 ( 5.271 -10.900 0.493) 12.117 30.469 ( 4.414 -6.170 0.820) 7.630 30.647 ( -0.346 0.240 4.521) 4.541 30.878 ( 1.089 -0.162 4.863) 4.986 31.004 ( -0.196 -2.594 2.294) 3.469 31.311 ( -2.067 8.608 0.461) 8.865 31.383 ( -5.125 4.057 -3.798) 7.560 31.839 ( 3.683 -5.559 -4.179) 7.870 ======================= Grid point 156 (48/50) ======================= q-point: (-0.33 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -4.043 0.740 8.364) 9.319 1.581 ( -3.513 8.186 2.549) 9.265 1.958 ( -3.126 13.183 1.929) 13.685 2.014 ( -2.604 3.334 0.859) 4.317 2.110 ( -1.850 -2.847 -5.705) 6.639 2.162 ( 2.488 -3.224 5.460) 6.812 2.256 ( 8.618 8.063 1.497) 11.897 2.514 ( -3.705 -3.854 -2.723) 5.999 2.553 ( -2.620 -7.536 7.741) 11.117 2.566 ( 7.569 -2.686 9.843) 12.704 2.818 ( 4.011 -0.390 -0.863) 4.121 2.852 ( 1.449 2.709 0.287) 3.085 2.940 ( -2.515 -7.217 4.204) 8.723 3.023 ( -0.449 -5.051 -1.950) 5.433 3.055 ( 2.629 -2.564 -0.798) 3.758 3.150 ( 3.148 -3.182 -1.887) 4.857 3.196 ( 2.506 -1.730 -0.512) 3.087 3.319 ( -5.404 -6.436 -0.524) 8.420 3.435 ( 1.098 -0.894 2.725) 3.071 3.495 ( -2.070 -0.293 -0.536) 2.158 3.530 ( 2.382 -0.319 0.164) 2.409 3.601 ( -1.762 1.689 -1.558) 2.895 3.740 ( -0.392 2.817 -4.164) 5.043 3.858 ( 3.640 2.592 1.906) 4.858 3.927 ( -1.250 -1.383 9.843) 10.018 3.996 ( -1.027 -1.156 4.973) 5.208 4.057 ( -4.273 0.372 3.094) 5.289 4.126 ( -5.517 6.689 10.510) 13.624 4.199 ( 1.790 0.871 3.406) 3.945 4.295 ( -6.390 -0.221 3.296) 7.193 4.332 ( -0.777 0.359 2.633) 2.769 4.429 ( 3.795 -2.258 2.835) 5.248 4.465 ( 1.800 0.344 -2.221) 2.880 4.583 ( 4.236 7.104 -8.220) 11.661 4.691 ( 0.495 -2.117 -3.425) 4.057 4.794 ( -0.433 -5.829 -2.027) 6.187 4.857 ( -3.386 5.181 5.091) 8.015 4.919 ( 1.202 2.272 8.308) 8.696 4.970 ( -0.062 0.230 -3.414) 3.422 5.024 ( 2.560 -3.186 -1.716) 4.433 5.123 ( 2.168 -0.101 -9.553) 9.797 5.206 ( -0.689 -1.982 -4.718) 5.164 5.230 ( -0.391 0.402 -6.792) 6.815 5.514 ( 0.075 0.065 1.602) 1.605 5.533 ( 0.115 -2.141 2.121) 3.016 5.674 ( -2.156 6.880 -2.846) 7.752 5.794 ( 1.274 -0.668 -1.927) 2.405 5.928 ( -1.361 1.556 -2.252) 3.057 6.123 ( -0.728 6.224 -3.048) 6.968 6.273 ( 1.209 1.367 -0.109) 1.828 6.307 ( -1.528 1.665 -1.569) 2.751 6.403 ( -2.556 3.119 2.391) 4.688 6.576 ( -3.265 -0.939 0.398) 3.421 6.626 ( -1.684 -0.184 4.102) 4.438 6.650 ( 2.250 2.160 -0.411) 3.146 6.664 ( -3.368 0.245 2.303) 4.087 6.739 ( -1.724 3.468 -1.817) 4.278 6.794 ( 0.037 -2.702 -3.259) 4.233 6.849 ( 6.048 0.026 -1.153) 6.157 6.933 ( 0.993 -4.071 3.067) 5.193 7.134 ( -2.359 3.366 2.582) 4.854 7.188 ( -0.302 -1.214 0.501) 1.348 7.225 ( -1.366 -1.332 -1.174) 2.240 7.267 ( 1.287 -1.401 -1.834) 2.642 7.313 ( 4.746 0.469 -1.641) 5.043 7.359 ( 0.074 -5.872 1.165) 5.986 7.610 ( 0.551 1.163 -4.044) 4.244 7.658 ( -0.399 2.017 -0.504) 2.117 7.795 ( 1.190 -6.287 -0.476) 6.417 12.012 ( -0.163 -1.908 1.356) 2.347 12.156 ( 1.523 0.821 -2.457) 3.005 12.222 ( -0.908 1.046 1.459) 2.012 12.234 ( -1.054 1.253 1.688) 2.352 12.411 ( 1.090 -0.145 3.532) 3.699 12.449 ( 0.184 -1.141 1.955) 2.271 12.514 ( -0.042 -4.551 -2.676) 5.280 12.626 ( -0.254 1.333 0.415) 1.419 12.661 ( 1.399 0.360 -1.558) 2.124 12.707 ( -0.526 -1.274 -0.423) 1.442 13.008 ( -0.836 4.060 -0.131) 4.147 13.114 ( -0.279 -0.874 -1.082) 1.418 15.897 ( 0.448 -0.168 4.081) 4.109 15.943 ( -0.468 0.088 0.126) 0.493 15.963 ( 0.918 -1.286 2.094) 2.624 16.066 ( 0.598 0.766 -4.828) 4.925 16.119 ( -1.478 2.426 -0.740) 2.935 16.194 ( 1.176 -1.833 -1.208) 2.490 16.321 ( 0.842 0.115 -0.137) 0.861 16.377 ( 2.269 -2.075 -1.113) 3.270 16.514 ( -0.586 -1.473 1.358) 2.087 16.627 ( -0.651 -0.777 -0.965) 1.400 16.700 ( -1.455 0.962 0.741) 1.895 16.745 ( 1.188 -1.344 0.661) 1.911 16.832 ( -0.857 -0.549 3.397) 3.546 16.881 ( 0.884 0.614 0.138) 1.085 16.932 ( -0.736 -0.681 -1.005) 1.419 17.053 ( 0.099 2.097 -3.973) 4.494 17.215 ( -1.181 1.872 -0.491) 2.268 17.249 ( -0.065 0.376 -0.012) 0.382 27.177 ( -0.087 0.114 0.220) 0.263 27.184 ( 0.414 -0.413 0.022) 0.586 27.230 ( -0.132 -0.390 0.222) 0.467 27.243 ( 0.087 0.103 -0.120) 0.180 27.261 ( -0.031 0.485 -0.038) 0.487 27.275 ( -0.154 -0.125 -0.067) 0.210 29.206 ( -0.417 -2.056 -2.491) 3.256 29.412 ( 2.860 6.704 -0.329) 7.296 29.544 ( 0.632 -1.621 0.692) 1.872 29.608 ( -2.902 -1.999 -1.056) 3.679 29.737 ( -2.424 1.415 -0.674) 2.886 29.800 ( -3.811 1.773 0.149) 4.206 29.821 ( 0.469 -1.305 -0.188) 1.399 29.878 ( -0.987 7.040 2.832) 7.652 30.069 ( -0.137 -1.476 -0.529) 1.574 30.135 ( -0.642 -0.306 -2.185) 2.298 30.156 ( 4.138 -2.373 1.989) 5.168 30.341 ( 4.020 -5.089 -1.940) 6.769 30.652 ( -0.822 -1.396 4.474) 4.758 30.872 ( 0.044 1.486 4.787) 5.013 30.979 ( 0.260 -2.458 2.806) 3.739 31.402 ( 0.378 6.640 -0.791) 6.697 31.528 ( -6.950 2.492 -4.287) 8.538 31.698 ( 5.300 -5.928 -2.722) 8.405 ======================= Grid point 157 (49/50) ======================= q-point: (-0.17 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 3.844 2.416 7.302) 8.599 1.617 ( -3.174 6.612 1.796) 7.551 1.908 ( -8.686 8.242 2.577) 12.248 1.956 ( -5.066 5.384 -1.577) 7.559 2.094 ( -6.286 0.653 -0.429) 6.335 2.216 ( 6.353 -4.146 0.218) 7.590 2.297 ( -5.740 -2.879 4.475) 7.827 2.470 ( -1.440 1.126 7.373) 7.596 2.543 ( 8.299 -6.002 3.219) 10.736 2.634 ( 4.472 -4.646 2.073) 6.774 2.804 ( 0.448 -2.848 4.937) 5.717 2.831 ( -5.319 0.990 0.375) 5.424 2.943 ( 3.156 0.059 -0.955) 3.298 2.974 ( 2.956 -2.003 1.121) 3.742 3.076 ( 2.300 -2.960 -3.556) 5.167 3.154 ( 1.225 -4.800 -0.646) 4.996 3.214 ( 2.016 -4.239 -0.894) 4.779 3.313 ( 8.508 1.086 0.875) 8.622 3.433 ( 0.287 -0.558 2.860) 2.928 3.490 ( -0.709 1.202 -1.149) 1.807 3.533 ( 0.722 -1.380 -1.861) 2.427 3.635 ( 2.278 -0.239 -0.035) 2.291 3.737 ( -2.216 2.541 -2.660) 4.294 3.845 ( -5.589 -1.720 0.139) 5.849 3.937 ( 2.721 -0.557 6.697) 7.251 3.993 ( 0.247 2.648 6.702) 7.210 4.024 ( 1.113 2.661 6.314) 6.942 4.160 ( -5.021 7.729 6.820) 11.465 4.184 ( 0.701 4.075 6.273) 7.513 4.277 ( 0.663 2.228 2.728) 3.584 4.334 ( 1.339 -0.928 4.399) 4.691 4.424 ( -2.332 -3.116 1.454) 4.155 4.465 ( 0.204 -1.533 -2.342) 2.807 4.622 ( -2.752 -1.849 -7.363) 8.075 4.694 ( -4.188 -0.077 -10.442) 11.251 4.749 ( 5.596 -1.275 4.325) 7.186 4.873 ( -1.926 4.549 1.427) 5.142 4.924 ( -0.470 -0.052 9.832) 9.843 4.993 ( 1.132 0.302 -1.112) 1.615 5.030 ( 1.166 -6.459 -3.610) 7.491 5.102 ( -0.266 -0.221 -6.611) 6.620 5.199 ( 0.727 0.294 -6.199) 6.248 5.238 ( -0.587 -0.196 -8.144) 8.168 5.511 ( 1.083 0.075 3.823) 3.975 5.540 ( 1.462 -1.446 1.173) 2.367 5.659 ( -6.486 6.052 -3.178) 9.423 5.797 ( 0.414 -1.623 -1.899) 2.532 5.936 ( -0.091 1.584 -2.416) 2.890 6.118 ( -5.901 4.513 -2.509) 7.841 6.237 ( -3.640 0.875 0.688) 3.807 6.337 ( 1.287 1.119 -2.887) 3.353 6.445 ( 1.190 2.526 1.492) 3.166 6.536 ( -0.677 2.628 0.793) 2.827 6.597 ( 0.368 -0.013 0.930) 1.000 6.647 ( -1.059 4.945 0.179) 5.060 6.726 ( 3.590 -1.285 2.371) 4.491 6.739 ( -2.000 2.671 1.294) 3.579 6.753 ( -1.494 -2.316 -1.939) 3.369 6.872 ( -3.183 -2.762 2.243) 4.774 6.919 ( 1.892 -2.244 2.170) 3.650 7.162 ( 0.332 0.170 0.630) 0.732 7.171 ( 1.496 3.075 -5.549) 6.518 7.227 ( 1.841 -0.307 1.142) 2.188 7.252 ( -0.246 -4.485 -1.164) 4.640 7.309 ( 1.128 -0.412 -2.986) 3.218 7.368 ( 1.125 -3.698 3.685) 5.340 7.632 ( 0.831 -1.056 -4.383) 4.584 7.658 ( -1.739 1.233 -1.830) 2.810 7.777 ( 3.536 -3.332 1.230) 5.011 12.010 ( 1.544 -0.696 1.361) 2.172 12.151 ( -1.609 -0.601 -1.672) 2.397 12.219 ( -1.114 1.671 0.483) 2.065 12.246 ( 0.617 0.606 2.161) 2.328 12.426 ( 0.357 -1.524 2.380) 2.849 12.458 ( 1.472 -1.251 2.636) 3.268 12.485 ( 1.838 -0.804 -2.133) 2.928 12.620 ( -1.087 0.608 0.259) 1.272 12.678 ( 0.009 -1.549 -2.844) 3.239 12.699 ( 0.870 0.441 0.703) 1.202 13.014 ( -2.604 2.467 -0.615) 3.640 13.110 ( 0.646 -0.063 -0.764) 1.003 15.895 ( -0.258 -0.315 3.846) 3.868 15.946 ( 0.140 0.382 2.343) 2.378 15.959 ( 0.407 -1.196 -0.028) 1.264 16.070 ( -0.312 -0.575 -4.807) 4.852 16.127 ( -0.603 2.319 -1.924) 3.073 16.196 ( 0.839 -2.131 -0.460) 2.336 16.323 ( -0.792 -0.566 -0.206) 0.995 16.364 ( -0.047 -2.465 -0.079) 2.466 16.515 ( 1.586 -0.304 1.192) 2.007 16.620 ( 0.436 0.631 -0.683) 1.027 16.706 ( 0.185 1.818 0.852) 2.016 16.742 ( 0.476 -1.991 0.482) 2.103 16.833 ( 0.939 0.521 2.961) 3.150 16.878 ( -1.041 -0.450 0.320) 1.179 16.941 ( 1.750 -0.245 -0.871) 1.970 17.049 ( -2.216 1.191 -4.213) 4.907 17.214 ( -1.208 1.995 -0.302) 2.352 17.251 ( -0.122 0.199 -0.172) 0.290 27.177 ( -0.023 0.169 0.112) 0.204 27.183 ( 0.058 -0.556 0.167) 0.584 27.231 ( 0.446 -0.130 0.297) 0.551 27.244 ( -0.045 -0.063 -0.297) 0.307 27.262 ( -0.366 0.230 -0.097) 0.443 27.273 ( 0.102 0.138 0.034) 0.175 29.209 ( 2.361 -0.866 -2.761) 3.735 29.412 ( -7.949 1.039 0.090) 8.018 29.536 ( 1.353 -0.825 0.697) 1.731 29.602 ( 2.489 1.722 -0.996) 3.187 29.752 ( 0.122 2.777 0.763) 2.882 29.781 ( 0.078 2.320 -1.538) 2.784 29.820 ( -0.203 -0.728 0.954) 1.217 29.913 ( -3.924 8.698 2.572) 9.883 30.038 ( 0.141 -6.933 -0.136) 6.936 30.118 ( 2.518 0.297 -1.674) 3.038 30.194 ( 0.329 -1.164 -1.400) 1.850 30.333 ( 1.652 -6.759 -0.141) 6.959 30.651 ( 1.654 0.121 4.150) 4.469 30.886 ( -0.599 0.183 4.675) 4.717 30.964 ( 0.967 -0.768 3.276) 3.502 31.423 ( -5.222 1.133 -3.514) 6.396 31.499 ( 0.041 8.470 -0.361) 8.478 31.710 ( 3.349 -7.085 -4.117) 8.852 ======================= Grid point 162 (50/50) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 0.000 6.573) 6.573 1.742 ( 0.000 0.000 -1.751) 1.751 1.995 ( -1.990 -3.980 -3.654) 5.758 1.995 ( 1.990 3.980 -3.654) 5.758 2.183 ( -1.875 -3.750 3.890) 5.719 2.183 ( 1.875 3.750 3.890) 5.719 2.406 ( -1.156 -2.313 3.614) 4.444 2.406 ( 1.156 2.313 3.614) 4.444 2.412 ( -0.000 0.000 2.118) 2.118 2.547 ( -0.000 -0.000 11.850) 11.850 2.822 ( -1.331 -2.662 2.550) 3.920 2.822 ( 1.331 2.662 2.550) 3.920 2.967 ( -1.252 -2.503 -4.323) 5.150 2.967 ( 1.252 2.503 -4.323) 5.150 2.996 ( -0.000 -0.000 6.099) 6.099 3.141 ( -1.138 -2.276 -0.937) 2.712 3.141 ( 1.138 2.276 -0.937) 2.712 3.254 ( -0.000 0.000 -1.487) 1.487 3.429 ( -0.000 -0.000 5.785) 5.785 3.493 ( -0.485 -0.969 -1.531) 1.876 3.493 ( 0.485 0.969 -1.531) 1.876 3.613 ( 0.000 0.000 -6.653) 6.653 3.772 ( -0.000 0.000 -0.655) 0.655 3.902 ( -0.687 -1.375 6.638) 6.813 3.902 ( 0.687 1.375 6.638) 6.813 4.041 ( -1.046 -2.092 4.484) 5.058 4.041 ( 1.046 2.092 4.484) 5.058 4.093 ( -0.000 0.000 -0.064) 0.064 4.290 ( -0.481 -0.961 6.724) 6.809 4.290 ( 0.481 0.961 6.724) 6.809 4.325 ( 0.000 0.000 7.319) 7.319 4.449 ( -1.245 -2.489 2.288) 3.603 4.449 ( 1.245 2.489 2.288) 3.603 4.651 ( -1.108 -2.217 -0.180) 2.485 4.651 ( 1.108 2.217 -0.180) 2.485 4.786 ( 0.000 0.000 -16.195) 16.195 4.927 ( 0.000 -0.000 10.601) 10.601 4.931 ( -1.338 -2.675 -4.015) 5.006 4.931 ( 1.338 2.675 -4.015) 5.006 4.995 ( 0.000 0.000 -0.874) 0.874 5.139 ( -1.433 -2.866 -3.791) 4.964 5.139 ( 1.433 2.866 -3.791) 4.964 5.247 ( 0.000 0.000 -9.350) 9.350 5.511 ( -0.261 -0.521 2.869) 2.928 5.511 ( 0.261 0.521 2.869) 2.928 5.769 ( -1.118 -2.237 -3.482) 4.287 5.769 ( 1.118 2.237 -3.482) 4.287 5.949 ( 0.000 0.000 -3.281) 3.281 6.198 ( 0.000 0.000 -4.530) 4.530 6.308 ( -1.015 -2.030 -2.146) 3.124 6.308 ( 1.015 2.030 -2.146) 3.124 6.436 ( -0.000 -0.000 3.305) 3.305 6.606 ( -0.000 0.000 4.862) 4.862 6.609 ( -2.217 -4.434 0.060) 4.958 6.609 ( 2.217 4.434 0.060) 4.958 6.704 ( -1.085 -2.171 -2.672) 3.610 6.704 ( 1.085 2.171 -2.672) 3.610 6.859 ( -1.135 -2.271 -2.716) 3.718 6.859 ( 1.135 2.271 -2.716) 3.718 6.865 ( 0.000 0.000 10.332) 10.332 7.163 ( 0.000 0.000 -7.806) 7.806 7.196 ( -0.000 -0.000 4.470) 4.470 7.205 ( -0.594 -1.187 1.470) 1.981 7.205 ( 0.594 1.187 1.470) 1.981 7.323 ( -0.493 -0.985 1.501) 1.862 7.323 ( 0.493 0.985 1.501) 1.862 7.614 ( 0.000 -0.000 -6.226) 6.226 7.704 ( -1.263 -2.526 -0.001) 2.825 7.704 ( 1.263 2.526 -0.001) 2.825 11.991 ( 0.000 0.000 1.592) 1.592 12.164 ( -0.000 0.000 -4.134) 4.134 12.241 ( -0.325 -0.650 3.068) 3.153 12.241 ( 0.325 0.650 3.068) 3.153 12.435 ( -1.075 -2.151 -0.491) 2.454 12.435 ( 1.075 2.151 -0.491) 2.454 12.440 ( 0.000 -0.000 2.778) 2.778 12.653 ( -0.640 -1.279 -1.212) 1.875 12.653 ( 0.640 1.279 -1.212) 1.875 12.693 ( 0.000 0.000 0.690) 0.690 13.078 ( -1.210 -2.420 -0.635) 2.779 13.078 ( 1.210 2.420 -0.635) 2.779 15.897 ( 0.000 0.000 4.499) 4.499 15.947 ( -0.125 -0.250 0.386) 0.477 15.947 ( 0.125 0.250 0.386) 0.477 16.071 ( 0.000 0.000 -5.257) 5.257 16.164 ( -0.766 -1.533 -0.692) 1.848 16.164 ( 0.766 1.533 -0.692) 1.848 16.339 ( -0.707 -1.414 -0.838) 1.789 16.339 ( 0.707 1.414 -0.838) 1.789 16.495 ( 0.000 0.000 2.496) 2.496 16.616 ( 0.000 0.000 -1.068) 1.068 16.720 ( -0.434 -0.869 0.814) 1.267 16.720 ( 0.434 0.869 0.814) 1.267 16.829 ( 0.000 0.000 3.285) 3.285 16.905 ( -0.795 -1.591 -0.343) 1.811 16.905 ( 0.795 1.591 -0.343) 1.811 17.075 ( 0.000 0.000 -4.341) 4.341 17.244 ( -0.418 -0.836 -0.310) 0.984 17.244 ( 0.418 0.836 -0.310) 0.984 27.179 ( -0.054 -0.108 0.136) 0.182 27.179 ( 0.054 0.108 0.136) 0.182 27.225 ( 0.000 0.000 0.195) 0.195 27.245 ( 0.000 0.000 -0.225) 0.225 27.270 ( -0.155 -0.310 0.004) 0.346 27.270 ( 0.155 0.310 0.004) 0.346 29.184 ( 0.000 0.000 -2.868) 2.868 29.522 ( -0.000 0.000 1.059) 1.059 29.542 ( -2.223 -4.445 -0.819) 5.037 29.542 ( 2.223 4.445 -0.819) 5.037 29.781 ( -0.877 -1.754 0.479) 2.019 29.781 ( 0.877 1.754 0.479) 2.019 29.821 ( -0.000 0.000 0.852) 0.852 29.986 ( -1.091 -2.183 1.029) 2.648 29.986 ( 1.091 2.183 1.029) 2.648 30.148 ( -1.319 -2.638 -0.621) 3.014 30.148 ( 1.319 2.638 -0.621) 3.014 30.275 ( 0.000 0.000 -3.430) 3.430 30.633 ( 0.000 0.000 4.371) 4.371 30.923 ( -1.269 -2.538 4.297) 5.149 30.923 ( 1.269 2.538 4.297) 5.149 31.505 ( 0.000 0.000 -2.695) 2.695 31.578 ( -2.382 -4.765 -2.694) 5.970 31.578 ( 2.382 4.765 -2.694) 5.970 =================== 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 3/30996 10.0 81.863 81.863 114.063 0.000 0.000 0.000 3/30996 20.0 18.416 18.416 32.772 0.000 0.000 0.000 3/30996 30.0 8.569 8.569 14.348 0.000 0.000 0.000 3/30996 40.0 5.243 5.243 8.371 0.000 0.000 0.000 3/30996 50.0 3.676 3.676 5.711 -0.000 0.000 0.000 3/30996 60.0 2.799 2.799 4.283 -0.000 0.000 0.000 3/30996 70.0 2.252 2.252 3.415 -0.000 0.000 0.000 3/30996 80.0 1.884 1.884 2.841 -0.000 0.000 0.000 3/30996 90.0 1.620 1.620 2.435 -0.000 0.000 0.000 3/30996 100.0 1.424 1.424 2.134 -0.000 0.000 0.000 3/30996 110.0 1.271 1.271 1.902 -0.000 0.000 0.000 3/30996 120.0 1.150 1.150 1.718 -0.000 0.000 0.000 3/30996 130.0 1.051 1.051 1.568 -0.000 0.000 0.000 3/30996 140.0 0.969 0.969 1.444 -0.000 0.000 0.000 3/30996 150.0 0.899 0.899 1.339 -0.000 0.000 0.000 3/30996 160.0 0.840 0.840 1.250 -0.000 0.000 0.000 3/30996 170.0 0.789 0.789 1.172 -0.000 0.000 0.000 3/30996 180.0 0.744 0.744 1.104 -0.000 0.000 0.000 3/30996 190.0 0.704 0.704 1.045 -0.000 0.000 0.000 3/30996 200.0 0.669 0.669 0.992 -0.000 0.000 0.000 3/30996 210.0 0.638 0.638 0.945 -0.000 0.000 0.000 3/30996 220.0 0.610 0.610 0.902 -0.000 0.000 0.000 3/30996 230.0 0.584 0.584 0.864 -0.000 0.000 0.000 3/30996 240.0 0.561 0.561 0.829 -0.000 0.000 0.000 3/30996 250.0 0.540 0.540 0.797 -0.000 0.000 0.000 3/30996 260.0 0.521 0.521 0.768 -0.000 0.000 0.000 3/30996 270.0 0.503 0.503 0.741 -0.000 0.000 0.000 3/30996 280.0 0.487 0.487 0.716 -0.000 0.000 0.000 3/30996 290.0 0.472 0.472 0.693 -0.000 0.000 0.000 3/30996 300.0 0.457 0.457 0.672 -0.000 0.000 0.000 3/30996 310.0 0.444 0.444 0.652 -0.000 0.000 0.000 3/30996 320.0 0.432 0.432 0.633 -0.000 0.000 0.000 3/30996 330.0 0.420 0.420 0.616 -0.000 0.000 0.000 3/30996 340.0 0.409 0.409 0.599 -0.000 0.000 0.000 3/30996 350.0 0.399 0.399 0.584 -0.000 0.000 0.000 3/30996 360.0 0.390 0.390 0.569 -0.000 0.000 0.000 3/30996 370.0 0.380 0.380 0.555 -0.000 0.000 0.000 3/30996 380.0 0.372 0.372 0.542 -0.000 0.000 0.000 3/30996 390.0 0.363 0.363 0.530 -0.000 0.000 0.000 3/30996 400.0 0.355 0.355 0.518 -0.000 0.000 0.000 3/30996 410.0 0.348 0.348 0.506 -0.000 0.000 0.000 3/30996 420.0 0.341 0.341 0.496 -0.000 0.000 0.000 3/30996 430.0 0.334 0.334 0.485 -0.000 0.000 0.000 3/30996 440.0 0.327 0.327 0.475 -0.000 0.000 0.000 3/30996 450.0 0.321 0.321 0.466 -0.000 0.000 0.000 3/30996 460.0 0.315 0.315 0.457 -0.000 0.000 0.000 3/30996 470.0 0.309 0.309 0.448 -0.000 0.000 0.000 3/30996 480.0 0.303 0.303 0.440 -0.000 0.000 0.000 3/30996 490.0 0.298 0.298 0.432 -0.000 0.000 0.000 3/30996 500.0 0.293 0.293 0.424 -0.000 0.000 0.000 3/30996 510.0 0.288 0.288 0.417 -0.000 0.000 0.000 3/30996 520.0 0.283 0.283 0.409 -0.000 0.000 0.000 3/30996 530.0 0.278 0.278 0.402 -0.000 0.000 0.000 3/30996 540.0 0.274 0.274 0.396 -0.000 0.000 0.000 3/30996 550.0 0.269 0.269 0.389 -0.000 0.000 0.000 3/30996 560.0 0.265 0.265 0.383 -0.000 0.000 0.000 3/30996 570.0 0.261 0.261 0.377 -0.000 0.000 0.000 3/30996 580.0 0.257 0.257 0.371 -0.000 0.000 0.000 3/30996 590.0 0.253 0.253 0.365 -0.000 0.000 0.000 3/30996 600.0 0.249 0.249 0.360 -0.000 0.000 0.000 3/30996 610.0 0.246 0.246 0.354 -0.000 0.000 0.000 3/30996 620.0 0.242 0.242 0.349 -0.000 0.000 0.000 3/30996 630.0 0.239 0.239 0.344 -0.000 0.000 0.000 3/30996 640.0 0.236 0.236 0.339 -0.000 0.000 0.000 3/30996 650.0 0.232 0.232 0.334 -0.000 0.000 0.000 3/30996 660.0 0.229 0.229 0.330 -0.000 0.000 0.000 3/30996 670.0 0.226 0.226 0.325 -0.000 0.000 0.000 3/30996 680.0 0.223 0.223 0.321 -0.000 0.000 0.000 3/30996 690.0 0.220 0.220 0.317 -0.000 0.000 0.000 3/30996 700.0 0.217 0.217 0.312 -0.000 0.000 0.000 3/30996 710.0 0.214 0.214 0.308 -0.000 0.000 0.000 3/30996 720.0 0.212 0.212 0.304 -0.000 0.000 0.000 3/30996 730.0 0.209 0.209 0.300 -0.000 0.000 0.000 3/30996 740.0 0.207 0.207 0.297 -0.000 0.000 0.000 3/30996 750.0 0.204 0.204 0.293 -0.000 0.000 0.000 3/30996 760.0 0.202 0.202 0.289 -0.000 0.000 0.000 3/30996 770.0 0.199 0.199 0.286 -0.000 0.000 0.000 3/30996 780.0 0.197 0.197 0.283 -0.000 0.000 0.000 3/30996 790.0 0.195 0.195 0.279 -0.000 0.000 0.000 3/30996 800.0 0.192 0.192 0.276 -0.000 0.000 0.000 3/30996 810.0 0.190 0.190 0.273 -0.000 0.000 0.000 3/30996 820.0 0.188 0.188 0.270 -0.000 0.000 0.000 3/30996 830.0 0.186 0.186 0.267 -0.000 0.000 0.000 3/30996 840.0 0.184 0.184 0.264 -0.000 0.000 0.000 3/30996 850.0 0.182 0.182 0.261 -0.000 0.000 0.000 3/30996 860.0 0.180 0.180 0.258 -0.000 0.000 0.000 3/30996 870.0 0.178 0.178 0.255 -0.000 0.000 0.000 3/30996 880.0 0.176 0.176 0.252 -0.000 0.000 0.000 3/30996 890.0 0.174 0.174 0.250 -0.000 0.000 0.000 3/30996 900.0 0.172 0.172 0.247 -0.000 0.000 0.000 3/30996 910.0 0.171 0.171 0.244 -0.000 0.000 0.000 3/30996 920.0 0.169 0.169 0.242 -0.000 0.000 0.000 3/30996 930.0 0.167 0.167 0.239 -0.000 0.000 0.000 3/30996 940.0 0.166 0.166 0.237 -0.000 0.000 0.000 3/30996 950.0 0.164 0.164 0.235 -0.000 0.000 0.000 3/30996 960.0 0.162 0.162 0.232 -0.000 0.000 0.000 3/30996 970.0 0.161 0.161 0.230 -0.000 0.000 0.000 3/30996 980.0 0.159 0.159 0.228 -0.000 0.000 0.000 3/30996 990.0 0.158 0.158 0.226 -0.000 0.000 0.000 3/30996 1000.0 0.156 0.156 0.224 -0.000 0.000 0.000 3/30996 Thermal conductivity related properties were written into "kappa-m667.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:28:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|