----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:46:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.517490505805705 0.000000000000000 0.000000000000000 b -2.758745252902853 4.778286943167192 0.000000000000000 c 0.000000000000000 0.000000000000000 10.736417180000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.31311533084542 0.23181081529011 6.941 *2 Li 0.00000000000000 0.40158211127195 0.87255701199594 6.941 3 Li 0.00000000000000 0.59841788872805 0.37255701199594 6.941 4 Li 0.00000000000000 0.68688466915458 0.73181081529011 6.941 *5 Li 0.33333333333333 0.66666666666667 0.59356023056948 6.941 6 Li 0.33333333333333 0.66666666666667 0.09356023056948 6.941 7 Li 0.31311533084542 0.00000000000000 0.23181081529011 6.941 8 Li 0.40158211127195 0.00000000000000 0.87255701199594 6.941 9 Li 0.59841788872805 0.00000000000000 0.37255701199594 6.941 10 Li 0.31311533084542 0.31311533084542 0.73181081529011 6.941 11 Li 0.68688466915458 0.00000000000000 0.73181081529011 6.941 12 Li 0.40158211127195 0.40158211127195 0.37255701199594 6.941 13 Li 0.66666666666667 0.33333333333333 0.09356023056948 6.941 14 Li 0.66666666666667 0.33333333333333 0.59356023056948 6.941 15 Li 0.59841788872805 0.59841788872805 0.87255701199594 6.941 16 Li 0.68688466915458 0.68688466915458 0.23181081529011 6.941 *17 Ti 0.00000000000000 0.00000000000000 0.00312233259032 47.867 18 Ti 0.00000000000000 0.00000000000000 0.50312233259032 47.867 *19 O 0.00000000000000 0.31474237954567 0.05055843056508 15.999 20 O 0.00000000000000 0.68525762045433 0.55055843056508 15.999 *21 O 0.33333333333333 0.66666666666667 0.78392847080401 15.999 *22 O 0.00000000000000 0.00000000000000 0.83147267110930 15.999 23 O 0.00000000000000 0.00000000000000 0.33147267110930 15.999 24 O 0.33333333333333 0.66666666666667 0.28392847080401 15.999 25 O 0.31474237954567 0.00000000000000 0.05055843056508 15.999 26 O 0.31474237954567 0.31474237954567 0.55055843056508 15.999 27 O 0.68525762045433 0.00000000000000 0.55055843056508 15.999 28 O 0.66666666666667 0.33333333333333 0.28392847080401 15.999 29 O 0.66666666666667 0.33333333333333 0.78392847080401 15.999 30 O 0.68525762045433 0.68525762045433 0.05055843056508 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.517490505805705 0.000000000000000 0.000000000000000 b -2.758745252902853 4.778286943167192 0.000000000000000 c 0.000000000000000 0.000000000000000 10.736417180000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.31311533084542 0.23181081529011 6.941 > 1 *2 Li 0.00000000000000 0.40158211127195 0.87255701199594 6.941 > 2 3 Li 0.00000000000000 0.59841788872805 0.37255701199594 6.941 > 3 4 Li 0.00000000000000 0.68688466915458 0.73181081529011 6.941 > 4 *5 Li 0.33333333333333 0.66666666666667 0.59356023056948 6.941 > 5 6 Li 0.33333333333333 0.66666666666667 0.09356023056948 6.941 > 6 7 Li 0.31311533084542 0.00000000000000 0.23181081529011 6.941 > 7 8 Li 0.40158211127195 0.00000000000000 0.87255701199594 6.941 > 8 9 Li 0.59841788872805 0.00000000000000 0.37255701199594 6.941 > 9 10 Li 0.31311533084542 0.31311533084542 0.73181081529011 6.941 > 10 11 Li 0.68688466915458 0.00000000000000 0.73181081529011 6.941 > 11 12 Li 0.40158211127195 0.40158211127195 0.37255701199594 6.941 > 12 13 Li 0.66666666666667 0.33333333333333 0.09356023056948 6.941 > 13 14 Li 0.66666666666667 0.33333333333333 0.59356023056948 6.941 > 14 15 Li 0.59841788872805 0.59841788872805 0.87255701199594 6.941 > 15 16 Li 0.68688466915458 0.68688466915458 0.23181081529011 6.941 > 16 *17 Ti 0.00000000000000 0.00000000000000 0.00312233259032 47.867 > 17 18 Ti 0.00000000000000 0.00000000000000 0.50312233259032 47.867 > 18 *19 O 0.00000000000000 0.31474237954567 0.05055843056508 15.999 > 19 20 O 0.00000000000000 0.68525762045433 0.55055843056508 15.999 > 20 *21 O 0.33333333333333 0.66666666666667 0.78392847080401 15.999 > 21 *22 O 0.00000000000000 0.00000000000000 0.83147267110930 15.999 > 22 23 O 0.00000000000000 0.00000000000000 0.33147267110930 15.999 > 23 24 O 0.33333333333333 0.66666666666667 0.28392847080401 15.999 > 24 25 O 0.31474237954567 0.00000000000000 0.05055843056508 15.999 > 25 26 O 0.31474237954567 0.31474237954567 0.55055843056508 15.999 > 26 27 O 0.68525762045433 0.00000000000000 0.55055843056508 15.999 > 27 28 O 0.66666666666667 0.33333333333333 0.28392847080401 15.999 > 28 29 O 0.66666666666667 0.33333333333333 0.78392847080401 15.999 > 29 30 O 0.68525762045433 0.68525762045433 0.05055843056508 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.034981011611411 0.000000000000000 0.000000000000000 b -5.517490505805706 9.556573886334384 0.000000000000000 c 0.000000000000000 0.000000000000000 10.736417180000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.15655766542271 0.23181081529011 6.941 > 1 2 Li 0.50000000000000 0.15655766542271 0.23181081529011 6.941 > 1 3 Li 0.00000000000000 0.65655766542271 0.23181081529011 6.941 > 1 4 Li 0.50000000000000 0.65655766542271 0.23181081529011 6.941 > 1 *5 Li 0.00000000000000 0.20079105563597 0.87255701199594 6.941 > 2 6 Li 0.50000000000000 0.20079105563597 0.87255701199594 6.941 > 2 7 Li 0.00000000000000 0.70079105563597 0.87255701199594 6.941 > 2 8 Li 0.50000000000000 0.70079105563597 0.87255701199594 6.941 > 2 9 Li 0.00000000000000 0.29920894436403 0.37255701199594 6.941 > 3 10 Li 0.50000000000000 0.29920894436403 0.37255701199594 6.941 > 3 11 Li 0.00000000000000 0.79920894436403 0.37255701199594 6.941 > 3 12 Li 0.50000000000000 0.79920894436403 0.37255701199594 6.941 > 3 13 Li 0.00000000000000 0.34344233457729 0.73181081529011 6.941 > 4 14 Li 0.50000000000000 0.34344233457729 0.73181081529011 6.941 > 4 15 Li 0.00000000000000 0.84344233457729 0.73181081529011 6.941 > 4 16 Li 0.50000000000000 0.84344233457729 0.73181081529011 6.941 > 4 *17 Li 0.16666666666667 0.33333333333333 0.59356023056948 6.941 > 5 18 Li 0.66666666666667 0.33333333333333 0.59356023056948 6.941 > 5 19 Li 0.16666666666667 0.83333333333333 0.59356023056948 6.941 > 5 20 Li 0.66666666666667 0.83333333333333 0.59356023056948 6.941 > 5 21 Li 0.16666666666667 0.33333333333333 0.09356023056948 6.941 > 6 22 Li 0.66666666666667 0.33333333333333 0.09356023056948 6.941 > 6 23 Li 0.16666666666667 0.83333333333333 0.09356023056948 6.941 > 6 24 Li 0.66666666666667 0.83333333333333 0.09356023056948 6.941 > 6 25 Li 0.15655766542271 0.00000000000000 0.23181081529011 6.941 > 7 26 Li 0.65655766542271 0.00000000000000 0.23181081529011 6.941 > 7 27 Li 0.15655766542271 0.50000000000000 0.23181081529011 6.941 > 7 28 Li 0.65655766542271 0.50000000000000 0.23181081529011 6.941 > 7 29 Li 0.20079105563597 0.00000000000000 0.87255701199594 6.941 > 8 30 Li 0.70079105563597 0.00000000000000 0.87255701199594 6.941 > 8 31 Li 0.20079105563597 0.50000000000000 0.87255701199594 6.941 > 8 32 Li 0.70079105563597 0.50000000000000 0.87255701199594 6.941 > 8 33 Li 0.29920894436403 0.00000000000000 0.37255701199594 6.941 > 9 34 Li 0.79920894436403 0.00000000000000 0.37255701199594 6.941 > 9 35 Li 0.29920894436403 0.50000000000000 0.37255701199594 6.941 > 9 36 Li 0.79920894436403 0.50000000000000 0.37255701199594 6.941 > 9 37 Li 0.15655766542271 0.15655766542271 0.73181081529011 6.941 > 10 38 Li 0.65655766542271 0.15655766542271 0.73181081529011 6.941 > 10 39 Li 0.15655766542271 0.65655766542271 0.73181081529011 6.941 > 10 40 Li 0.65655766542271 0.65655766542271 0.73181081529011 6.941 > 10 41 Li 0.34344233457729 0.00000000000000 0.73181081529011 6.941 > 11 42 Li 0.84344233457729 0.00000000000000 0.73181081529011 6.941 > 11 43 Li 0.34344233457729 0.50000000000000 0.73181081529011 6.941 > 11 44 Li 0.84344233457729 0.50000000000000 0.73181081529011 6.941 > 11 45 Li 0.20079105563597 0.20079105563597 0.37255701199594 6.941 > 12 46 Li 0.70079105563597 0.20079105563597 0.37255701199594 6.941 > 12 47 Li 0.20079105563597 0.70079105563597 0.37255701199594 6.941 > 12 48 Li 0.70079105563597 0.70079105563597 0.37255701199594 6.941 > 12 49 Li 0.33333333333333 0.16666666666667 0.09356023056948 6.941 > 13 50 Li 0.83333333333333 0.16666666666667 0.09356023056948 6.941 > 13 51 Li 0.33333333333333 0.66666666666667 0.09356023056948 6.941 > 13 52 Li 0.83333333333333 0.66666666666667 0.09356023056948 6.941 > 13 53 Li 0.33333333333333 0.16666666666667 0.59356023056948 6.941 > 14 54 Li 0.83333333333333 0.16666666666667 0.59356023056948 6.941 > 14 55 Li 0.33333333333333 0.66666666666667 0.59356023056948 6.941 > 14 56 Li 0.83333333333333 0.66666666666667 0.59356023056948 6.941 > 14 57 Li 0.29920894436403 0.29920894436403 0.87255701199594 6.941 > 15 58 Li 0.79920894436403 0.29920894436403 0.87255701199594 6.941 > 15 59 Li 0.29920894436403 0.79920894436403 0.87255701199594 6.941 > 15 60 Li 0.79920894436403 0.79920894436403 0.87255701199594 6.941 > 15 61 Li 0.34344233457729 0.34344233457729 0.23181081529011 6.941 > 16 62 Li 0.84344233457729 0.34344233457729 0.23181081529011 6.941 > 16 63 Li 0.34344233457729 0.84344233457729 0.23181081529011 6.941 > 16 64 Li 0.84344233457729 0.84344233457729 0.23181081529011 6.941 > 16 *65 Ti 0.00000000000000 0.00000000000000 0.00312233259032 47.867 > 17 66 Ti 0.50000000000000 0.00000000000000 0.00312233259032 47.867 > 17 67 Ti 0.00000000000000 0.50000000000000 0.00312233259032 47.867 > 17 68 Ti 0.50000000000000 0.50000000000000 0.00312233259032 47.867 > 17 69 Ti 0.00000000000000 0.00000000000000 0.50312233259032 47.867 > 18 70 Ti 0.50000000000000 0.00000000000000 0.50312233259032 47.867 > 18 71 Ti 0.00000000000000 0.50000000000000 0.50312233259032 47.867 > 18 72 Ti 0.50000000000000 0.50000000000000 0.50312233259032 47.867 > 18 *73 O 0.00000000000000 0.15737118977283 0.05055843056508 15.999 > 19 74 O 0.50000000000000 0.15737118977283 0.05055843056508 15.999 > 19 75 O 0.00000000000000 0.65737118977283 0.05055843056508 15.999 > 19 76 O 0.50000000000000 0.65737118977283 0.05055843056508 15.999 > 19 77 O 0.00000000000000 0.34262881022717 0.55055843056508 15.999 > 20 78 O 0.50000000000000 0.34262881022717 0.55055843056508 15.999 > 20 79 O 0.00000000000000 0.84262881022717 0.55055843056508 15.999 > 20 80 O 0.50000000000000 0.84262881022717 0.55055843056508 15.999 > 20 *81 O 0.16666666666667 0.33333333333333 0.78392847080401 15.999 > 21 82 O 0.66666666666667 0.33333333333333 0.78392847080401 15.999 > 21 83 O 0.16666666666667 0.83333333333333 0.78392847080401 15.999 > 21 84 O 0.66666666666667 0.83333333333333 0.78392847080401 15.999 > 21 *85 O 0.00000000000000 0.00000000000000 0.83147267110930 15.999 > 22 86 O 0.50000000000000 0.00000000000000 0.83147267110930 15.999 > 22 87 O 0.00000000000000 0.50000000000000 0.83147267110930 15.999 > 22 88 O 0.50000000000000 0.50000000000000 0.83147267110930 15.999 > 22 89 O 0.00000000000000 0.00000000000000 0.33147267110930 15.999 > 23 90 O 0.50000000000000 0.00000000000000 0.33147267110930 15.999 > 23 91 O 0.00000000000000 0.50000000000000 0.33147267110930 15.999 > 23 92 O 0.50000000000000 0.50000000000000 0.33147267110930 15.999 > 23 93 O 0.16666666666667 0.33333333333333 0.28392847080401 15.999 > 24 94 O 0.66666666666667 0.33333333333333 0.28392847080401 15.999 > 24 95 O 0.16666666666667 0.83333333333333 0.28392847080401 15.999 > 24 96 O 0.66666666666667 0.83333333333333 0.28392847080401 15.999 > 24 97 O 0.15737118977283 0.00000000000000 0.05055843056508 15.999 > 25 98 O 0.65737118977283 0.00000000000000 0.05055843056508 15.999 > 25 99 O 0.15737118977283 0.50000000000000 0.05055843056508 15.999 > 25 100 O 0.65737118977283 0.50000000000000 0.05055843056508 15.999 > 25 101 O 0.15737118977283 0.15737118977283 0.55055843056508 15.999 > 26 102 O 0.65737118977283 0.15737118977283 0.55055843056508 15.999 > 26 103 O 0.15737118977283 0.65737118977283 0.55055843056508 15.999 > 26 104 O 0.65737118977283 0.65737118977283 0.55055843056508 15.999 > 26 105 O 0.34262881022717 0.00000000000000 0.55055843056508 15.999 > 27 106 O 0.84262881022717 0.00000000000000 0.55055843056508 15.999 > 27 107 O 0.34262881022717 0.50000000000000 0.55055843056508 15.999 > 27 108 O 0.84262881022717 0.50000000000000 0.55055843056508 15.999 > 27 109 O 0.33333333333333 0.16666666666667 0.28392847080401 15.999 > 28 110 O 0.83333333333333 0.16666666666667 0.28392847080401 15.999 > 28 111 O 0.33333333333333 0.66666666666667 0.28392847080401 15.999 > 28 112 O 0.83333333333333 0.66666666666667 0.28392847080401 15.999 > 28 113 O 0.33333333333333 0.16666666666667 0.78392847080401 15.999 > 29 114 O 0.83333333333333 0.16666666666667 0.78392847080401 15.999 > 29 115 O 0.33333333333333 0.66666666666667 0.78392847080401 15.999 > 29 116 O 0.83333333333333 0.66666666666667 0.78392847080401 15.999 > 29 117 O 0.34262881022717 0.34262881022717 0.05055843056508 15.999 > 30 118 O 0.84262881022717 0.34262881022717 0.05055843056508 15.999 > 30 119 O 0.34262881022717 0.84262881022717 0.05055843056508 15.999 > 30 120 O 0.84262881022717 0.84262881022717 0.05055843056508 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1559778 -0.0000000 0.0000000 -0.0000000 3.1559778 0.0000000 0.0000000 0.0000000 3.1782676 -------------------------- Born effective charges -------------------------- 1 Li 0.9287279 0.0166142 -0.0669172 0.0166142 0.9095434 0.1159041 0.0561231 -0.0972080 1.0819715 2 Li 0.9144501 -0.0695397 0.0953955 -0.0695397 0.9947477 -0.1652298 0.0625279 -0.1083016 0.7883148 3 Li 0.9144501 -0.0695397 -0.0953955 -0.0695397 0.9947477 0.1652298 -0.0625279 0.1083016 0.7883148 4 Li 0.9287279 0.0166142 0.0669172 0.0166142 0.9095434 -0.1159041 -0.0561231 0.0972080 1.0819715 5 Li 1.0698107 0.2063997 0.0000000 -0.2063997 1.0698107 0.0000000 -0.0000000 0.0000000 1.0757233 6 Li 1.0698107 -0.2063997 0.0000000 0.2063997 1.0698107 0.0000000 -0.0000000 0.0000000 1.0757233 7 Li 0.8999512 -0.0000000 0.1338345 -0.0000000 0.9383201 0.0000000 -0.1122462 -0.0000000 1.0819715 8 Li 1.0348965 0.0000000 -0.1907909 0.0000000 0.8743013 0.0000000 -0.1250559 -0.0000000 0.7883148 9 Li 1.0348965 0.0000000 0.1907909 0.0000000 0.8743013 0.0000000 0.1250559 0.0000000 0.7883148 10 Li 0.9287279 -0.0166142 0.0669172 -0.0166142 0.9095434 0.1159041 -0.0561231 -0.0972080 1.0819715 11 Li 0.8999512 -0.0000000 -0.1338345 -0.0000000 0.9383201 0.0000000 0.1122462 0.0000000 1.0819715 12 Li 0.9144501 0.0695397 -0.0953955 0.0695397 0.9947477 -0.1652298 -0.0625279 -0.1083016 0.7883148 13 Li 1.0698107 0.2063997 0.0000000 -0.2063997 1.0698107 0.0000000 -0.0000000 0.0000000 1.0757233 14 Li 1.0698107 -0.2063997 0.0000000 0.2063997 1.0698107 0.0000000 -0.0000000 0.0000000 1.0757233 15 Li 0.9144501 0.0695397 0.0953955 0.0695397 0.9947477 0.1652298 0.0625279 0.1083016 0.7883148 16 Li 0.9287279 -0.0166142 -0.0669172 -0.0166142 0.9095434 -0.1159041 0.0561231 0.0972080 1.0819715 17 Ti 3.1014389 -0.0000000 0.0000000 -0.0000000 3.1014389 0.0000000 -0.0000000 0.0000000 2.9650465 18 Ti 3.1014389 -0.0000000 0.0000000 -0.0000000 3.1014389 0.0000000 -0.0000000 0.0000000 2.9650465 19 O -1.5567602 0.6385909 0.2129758 0.6385909 -2.2941415 -0.3688849 0.2088254 -0.3616962 -1.5390041 20 O -1.5567602 0.6385909 -0.2129758 0.6385909 -2.2941415 0.3688849 -0.2088254 0.3616962 -1.5390041 21 O -1.8694174 -0.0495898 0.0000000 0.0495898 -1.8694174 0.0000000 -0.0000000 0.0000000 -1.7070764 22 O -1.3470766 0.0000000 0.0000000 -0.0000000 -1.3470766 0.0000000 -0.0000000 0.0000000 -2.6961866 23 O -1.3470766 0.0000000 0.0000000 -0.0000000 -1.3470766 0.0000000 -0.0000000 0.0000000 -2.6961866 24 O -1.8694174 0.0495898 0.0000000 -0.0495898 -1.8694174 0.0000000 -0.0000000 0.0000000 -1.7070764 25 O -2.6628321 -0.0000000 -0.4259516 -0.0000000 -1.1880695 0.0000000 -0.4176509 -0.0000000 -1.5390041 26 O -1.5567602 -0.6385909 -0.2129758 -0.6385909 -2.2941415 -0.3688849 -0.2088254 -0.3616962 -1.5390041 27 O -2.6628321 -0.0000000 0.4259516 -0.0000000 -1.1880695 0.0000000 0.4176509 0.0000000 -1.5390041 28 O -1.8694174 -0.0495898 0.0000000 0.0495898 -1.8694174 0.0000000 -0.0000000 0.0000000 -1.7070764 29 O -1.8694174 0.0495898 0.0000000 -0.0495898 -1.8694174 0.0000000 -0.0000000 0.0000000 -1.7070764 30 O -1.5567602 -0.6385909 0.2129758 -0.6385909 -2.2941415 0.3688849 0.2088254 0.3616962 -1.5390041 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 810 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: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 152 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 74 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 214 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (214, 207), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 8), data: (576, 14) @ (14, 8) |-- (76, 74), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 8), data: (660, 20) @ (20, 8) |-- (160, 152), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 320 - Time: 2.002 Solver_block: 200 / 320 - Time: 2.014 Solver_block: 300 / 320 - Time: 2.013 Solver_block: 320 / 320 - Time: 0.479 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.543 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 810 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: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 152 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 74 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 214 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (214, 207), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 8), data: (576, 14) @ (14, 8) |-- (76, 74), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 8), data: (660, 20) @ (20, 8) |-- (160, 152), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), 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 2026-01-09 02:46:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:46:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.517490505805705 0.000000000000000 0.000000000000000 b -2.758745252902853 4.778286943167192 0.000000000000000 c 0.000000000000000 0.000000000000000 10.736417180000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.31311533084542 0.23181081529011 6.941 2 Li 0.00000000000000 0.40158211127195 0.87255701199594 6.941 3 Li 0.00000000000000 0.59841788872805 0.37255701199594 6.941 4 Li 0.00000000000000 0.68688466915458 0.73181081529011 6.941 5 Li 0.33333333333333 0.66666666666667 0.59356023056948 6.941 6 Li 0.33333333333333 0.66666666666667 0.09356023056948 6.941 7 Li 0.31311533084542 0.00000000000000 0.23181081529011 6.941 8 Li 0.40158211127195 0.00000000000000 0.87255701199594 6.941 9 Li 0.59841788872805 0.00000000000000 0.37255701199594 6.941 10 Li 0.31311533084542 0.31311533084542 0.73181081529011 6.941 11 Li 0.68688466915458 0.00000000000000 0.73181081529011 6.941 12 Li 0.40158211127195 0.40158211127195 0.37255701199594 6.941 13 Li 0.66666666666667 0.33333333333333 0.09356023056948 6.941 14 Li 0.66666666666667 0.33333333333333 0.59356023056948 6.941 15 Li 0.59841788872805 0.59841788872805 0.87255701199594 6.941 16 Li 0.68688466915458 0.68688466915458 0.23181081529011 6.941 17 Ti 0.00000000000000 0.00000000000000 0.00312233259032 47.867 18 Ti 0.00000000000000 0.00000000000000 0.50312233259032 47.867 19 O 0.00000000000000 0.31474237954567 0.05055843056508 15.999 20 O 0.00000000000000 0.68525762045433 0.55055843056508 15.999 21 O 0.33333333333333 0.66666666666667 0.78392847080401 15.999 22 O 0.00000000000000 0.00000000000000 0.83147267110930 15.999 23 O 0.00000000000000 0.00000000000000 0.33147267110930 15.999 24 O 0.33333333333333 0.66666666666667 0.28392847080401 15.999 25 O 0.31474237954567 0.00000000000000 0.05055843056508 15.999 26 O 0.31474237954567 0.31474237954567 0.55055843056508 15.999 27 O 0.68525762045433 0.00000000000000 0.55055843056508 15.999 28 O 0.66666666666667 0.33333333333333 0.28392847080401 15.999 29 O 0.66666666666667 0.33333333333333 0.78392847080401 15.999 30 O 0.68525762045433 0.68525762045433 0.05055843056508 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.034981011611411 0.000000000000000 0.000000000000000 b -5.517490505805706 9.556573886334384 0.000000000000000 c 0.000000000000000 0.000000000000000 10.736417180000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.15655766542271 0.23181081529011 6.941 > 1 2 Li 0.50000000000000 0.15655766542271 0.23181081529011 6.941 > 1 3 Li 0.00000000000000 0.65655766542271 0.23181081529011 6.941 > 1 4 Li 0.50000000000000 0.65655766542271 0.23181081529011 6.941 > 1 5 Li 0.00000000000000 0.20079105563597 0.87255701199594 6.941 > 5 6 Li 0.50000000000000 0.20079105563597 0.87255701199594 6.941 > 5 7 Li 0.00000000000000 0.70079105563597 0.87255701199594 6.941 > 5 8 Li 0.50000000000000 0.70079105563597 0.87255701199594 6.941 > 5 9 Li 0.00000000000000 0.29920894436403 0.37255701199594 6.941 > 9 10 Li 0.50000000000000 0.29920894436403 0.37255701199594 6.941 > 9 11 Li 0.00000000000000 0.79920894436403 0.37255701199594 6.941 > 9 12 Li 0.50000000000000 0.79920894436403 0.37255701199594 6.941 > 9 13 Li 0.00000000000000 0.34344233457729 0.73181081529011 6.941 > 13 14 Li 0.50000000000000 0.34344233457729 0.73181081529011 6.941 > 13 15 Li 0.00000000000000 0.84344233457729 0.73181081529011 6.941 > 13 16 Li 0.50000000000000 0.84344233457729 0.73181081529011 6.941 > 13 17 Li 0.16666666666667 0.33333333333333 0.59356023056948 6.941 > 17 18 Li 0.66666666666667 0.33333333333333 0.59356023056948 6.941 > 17 19 Li 0.16666666666667 0.83333333333333 0.59356023056948 6.941 > 17 20 Li 0.66666666666667 0.83333333333333 0.59356023056948 6.941 > 17 21 Li 0.16666666666667 0.33333333333333 0.09356023056948 6.941 > 21 22 Li 0.66666666666667 0.33333333333333 0.09356023056948 6.941 > 21 23 Li 0.16666666666667 0.83333333333333 0.09356023056948 6.941 > 21 24 Li 0.66666666666667 0.83333333333333 0.09356023056948 6.941 > 21 25 Li 0.15655766542271 0.00000000000000 0.23181081529011 6.941 > 25 26 Li 0.65655766542271 0.00000000000000 0.23181081529011 6.941 > 25 27 Li 0.15655766542271 0.50000000000000 0.23181081529011 6.941 > 25 28 Li 0.65655766542271 0.50000000000000 0.23181081529011 6.941 > 25 29 Li 0.20079105563597 0.00000000000000 0.87255701199594 6.941 > 29 30 Li 0.70079105563597 0.00000000000000 0.87255701199594 6.941 > 29 31 Li 0.20079105563597 0.50000000000000 0.87255701199594 6.941 > 29 32 Li 0.70079105563597 0.50000000000000 0.87255701199594 6.941 > 29 33 Li 0.29920894436403 0.00000000000000 0.37255701199594 6.941 > 33 34 Li 0.79920894436403 0.00000000000000 0.37255701199594 6.941 > 33 35 Li 0.29920894436403 0.50000000000000 0.37255701199594 6.941 > 33 36 Li 0.79920894436403 0.50000000000000 0.37255701199594 6.941 > 33 37 Li 0.15655766542271 0.15655766542271 0.73181081529011 6.941 > 37 38 Li 0.65655766542271 0.15655766542271 0.73181081529011 6.941 > 37 39 Li 0.15655766542271 0.65655766542271 0.73181081529011 6.941 > 37 40 Li 0.65655766542271 0.65655766542271 0.73181081529011 6.941 > 37 41 Li 0.34344233457729 0.00000000000000 0.73181081529011 6.941 > 41 42 Li 0.84344233457729 0.00000000000000 0.73181081529011 6.941 > 41 43 Li 0.34344233457729 0.50000000000000 0.73181081529011 6.941 > 41 44 Li 0.84344233457729 0.50000000000000 0.73181081529011 6.941 > 41 45 Li 0.20079105563597 0.20079105563597 0.37255701199594 6.941 > 45 46 Li 0.70079105563597 0.20079105563597 0.37255701199594 6.941 > 45 47 Li 0.20079105563597 0.70079105563597 0.37255701199594 6.941 > 45 48 Li 0.70079105563597 0.70079105563597 0.37255701199594 6.941 > 45 49 Li 0.33333333333333 0.16666666666667 0.09356023056948 6.941 > 49 50 Li 0.83333333333333 0.16666666666667 0.09356023056948 6.941 > 49 51 Li 0.33333333333333 0.66666666666667 0.09356023056948 6.941 > 49 52 Li 0.83333333333333 0.66666666666667 0.09356023056948 6.941 > 49 53 Li 0.33333333333333 0.16666666666667 0.59356023056948 6.941 > 53 54 Li 0.83333333333333 0.16666666666667 0.59356023056948 6.941 > 53 55 Li 0.33333333333333 0.66666666666667 0.59356023056948 6.941 > 53 56 Li 0.83333333333333 0.66666666666667 0.59356023056948 6.941 > 53 57 Li 0.29920894436403 0.29920894436403 0.87255701199594 6.941 > 57 58 Li 0.79920894436403 0.29920894436403 0.87255701199594 6.941 > 57 59 Li 0.29920894436403 0.79920894436403 0.87255701199594 6.941 > 57 60 Li 0.79920894436403 0.79920894436403 0.87255701199594 6.941 > 57 61 Li 0.34344233457729 0.34344233457729 0.23181081529011 6.941 > 61 62 Li 0.84344233457729 0.34344233457729 0.23181081529011 6.941 > 61 63 Li 0.34344233457729 0.84344233457729 0.23181081529011 6.941 > 61 64 Li 0.84344233457729 0.84344233457729 0.23181081529011 6.941 > 61 65 Ti 0.00000000000000 0.00000000000000 0.00312233259032 47.867 > 65 66 Ti 0.50000000000000 0.00000000000000 0.00312233259032 47.867 > 65 67 Ti 0.00000000000000 0.50000000000000 0.00312233259032 47.867 > 65 68 Ti 0.50000000000000 0.50000000000000 0.00312233259032 47.867 > 65 69 Ti 0.00000000000000 0.00000000000000 0.50312233259032 47.867 > 69 70 Ti 0.50000000000000 0.00000000000000 0.50312233259032 47.867 > 69 71 Ti 0.00000000000000 0.50000000000000 0.50312233259032 47.867 > 69 72 Ti 0.50000000000000 0.50000000000000 0.50312233259032 47.867 > 69 73 O 0.00000000000000 0.15737118977283 0.05055843056508 15.999 > 73 74 O 0.50000000000000 0.15737118977283 0.05055843056508 15.999 > 73 75 O 0.00000000000000 0.65737118977283 0.05055843056508 15.999 > 73 76 O 0.50000000000000 0.65737118977283 0.05055843056508 15.999 > 73 77 O 0.00000000000000 0.34262881022717 0.55055843056508 15.999 > 77 78 O 0.50000000000000 0.34262881022717 0.55055843056508 15.999 > 77 79 O 0.00000000000000 0.84262881022717 0.55055843056508 15.999 > 77 80 O 0.50000000000000 0.84262881022717 0.55055843056508 15.999 > 77 81 O 0.16666666666667 0.33333333333333 0.78392847080401 15.999 > 81 82 O 0.66666666666667 0.33333333333333 0.78392847080401 15.999 > 81 83 O 0.16666666666667 0.83333333333333 0.78392847080401 15.999 > 81 84 O 0.66666666666667 0.83333333333333 0.78392847080401 15.999 > 81 85 O 0.00000000000000 0.00000000000000 0.83147267110930 15.999 > 85 86 O 0.50000000000000 0.00000000000000 0.83147267110930 15.999 > 85 87 O 0.00000000000000 0.50000000000000 0.83147267110930 15.999 > 85 88 O 0.50000000000000 0.50000000000000 0.83147267110930 15.999 > 85 89 O 0.00000000000000 0.00000000000000 0.33147267110930 15.999 > 89 90 O 0.50000000000000 0.00000000000000 0.33147267110930 15.999 > 89 91 O 0.00000000000000 0.50000000000000 0.33147267110930 15.999 > 89 92 O 0.50000000000000 0.50000000000000 0.33147267110930 15.999 > 89 93 O 0.16666666666667 0.33333333333333 0.28392847080401 15.999 > 93 94 O 0.66666666666667 0.33333333333333 0.28392847080401 15.999 > 93 95 O 0.16666666666667 0.83333333333333 0.28392847080401 15.999 > 93 96 O 0.66666666666667 0.83333333333333 0.28392847080401 15.999 > 93 97 O 0.15737118977283 0.00000000000000 0.05055843056508 15.999 > 97 98 O 0.65737118977283 0.00000000000000 0.05055843056508 15.999 > 97 99 O 0.15737118977283 0.50000000000000 0.05055843056508 15.999 > 97 100 O 0.65737118977283 0.50000000000000 0.05055843056508 15.999 > 97 101 O 0.15737118977283 0.15737118977283 0.55055843056508 15.999 > 101 102 O 0.65737118977283 0.15737118977283 0.55055843056508 15.999 > 101 103 O 0.15737118977283 0.65737118977283 0.55055843056508 15.999 > 101 104 O 0.65737118977283 0.65737118977283 0.55055843056508 15.999 > 101 105 O 0.34262881022717 0.00000000000000 0.55055843056508 15.999 > 105 106 O 0.84262881022717 0.00000000000000 0.55055843056508 15.999 > 105 107 O 0.34262881022717 0.50000000000000 0.55055843056508 15.999 > 105 108 O 0.84262881022717 0.50000000000000 0.55055843056508 15.999 > 105 109 O 0.33333333333333 0.16666666666667 0.28392847080401 15.999 > 109 110 O 0.83333333333333 0.16666666666667 0.28392847080401 15.999 > 109 111 O 0.33333333333333 0.66666666666667 0.28392847080401 15.999 > 109 112 O 0.83333333333333 0.66666666666667 0.28392847080401 15.999 > 109 113 O 0.33333333333333 0.16666666666667 0.78392847080401 15.999 > 113 114 O 0.83333333333333 0.16666666666667 0.78392847080401 15.999 > 113 115 O 0.33333333333333 0.66666666666667 0.78392847080401 15.999 > 113 116 O 0.83333333333333 0.66666666666667 0.78392847080401 15.999 > 113 117 O 0.34262881022717 0.34262881022717 0.05055843056508 15.999 > 117 118 O 0.84262881022717 0.34262881022717 0.05055843056508 15.999 > 117 119 O 0.34262881022717 0.84262881022717 0.05055843056508 15.999 > 117 120 O 0.84262881022717 0.84262881022717 0.05055843056508 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1559778 -0.0000000 0.0000000 -0.0000000 3.1559778 0.0000000 0.0000000 0.0000000 3.1782676 -------------------------- Born effective charges -------------------------- 1 Li 0.9287279 0.0166142 -0.0669172 0.0166142 0.9095434 0.1159041 0.0561231 -0.0972080 1.0819715 2 Li 0.9144501 -0.0695397 0.0953955 -0.0695397 0.9947477 -0.1652298 0.0625279 -0.1083016 0.7883148 3 Li 0.9144501 -0.0695397 -0.0953955 -0.0695397 0.9947477 0.1652298 -0.0625279 0.1083016 0.7883148 4 Li 0.9287279 0.0166142 0.0669172 0.0166142 0.9095434 -0.1159041 -0.0561231 0.0972080 1.0819715 5 Li 1.0698107 0.2063997 0.0000000 -0.2063997 1.0698107 0.0000000 -0.0000000 0.0000000 1.0757233 6 Li 1.0698107 -0.2063997 0.0000000 0.2063997 1.0698107 0.0000000 -0.0000000 0.0000000 1.0757233 7 Li 0.8999512 -0.0000000 0.1338345 -0.0000000 0.9383201 0.0000000 -0.1122462 -0.0000000 1.0819715 8 Li 1.0348965 0.0000000 -0.1907909 0.0000000 0.8743013 0.0000000 -0.1250559 -0.0000000 0.7883148 9 Li 1.0348965 0.0000000 0.1907909 0.0000000 0.8743013 0.0000000 0.1250559 0.0000000 0.7883148 10 Li 0.9287279 -0.0166142 0.0669172 -0.0166142 0.9095434 0.1159041 -0.0561231 -0.0972080 1.0819715 11 Li 0.8999512 -0.0000000 -0.1338345 -0.0000000 0.9383201 0.0000000 0.1122462 0.0000000 1.0819715 12 Li 0.9144501 0.0695397 -0.0953955 0.0695397 0.9947477 -0.1652298 -0.0625279 -0.1083016 0.7883148 13 Li 1.0698107 0.2063997 0.0000000 -0.2063997 1.0698107 0.0000000 -0.0000000 0.0000000 1.0757233 14 Li 1.0698107 -0.2063997 0.0000000 0.2063997 1.0698107 0.0000000 -0.0000000 0.0000000 1.0757233 15 Li 0.9144501 0.0695397 0.0953955 0.0695397 0.9947477 0.1652298 0.0625279 0.1083016 0.7883148 16 Li 0.9287279 -0.0166142 -0.0669172 -0.0166142 0.9095434 -0.1159041 0.0561231 0.0972080 1.0819715 17 Ti 3.1014389 -0.0000000 0.0000000 -0.0000000 3.1014389 0.0000000 -0.0000000 0.0000000 2.9650465 18 Ti 3.1014389 -0.0000000 0.0000000 -0.0000000 3.1014389 0.0000000 -0.0000000 0.0000000 2.9650465 19 O -1.5567602 0.6385909 0.2129758 0.6385909 -2.2941415 -0.3688849 0.2088254 -0.3616962 -1.5390041 20 O -1.5567602 0.6385909 -0.2129758 0.6385909 -2.2941415 0.3688849 -0.2088254 0.3616962 -1.5390041 21 O -1.8694174 -0.0495898 0.0000000 0.0495898 -1.8694174 0.0000000 -0.0000000 0.0000000 -1.7070764 22 O -1.3470766 0.0000000 0.0000000 -0.0000000 -1.3470766 0.0000000 -0.0000000 0.0000000 -2.6961866 23 O -1.3470766 0.0000000 0.0000000 -0.0000000 -1.3470766 0.0000000 -0.0000000 0.0000000 -2.6961866 24 O -1.8694174 0.0495898 0.0000000 -0.0495898 -1.8694174 0.0000000 -0.0000000 0.0000000 -1.7070764 25 O -2.6628321 -0.0000000 -0.4259516 -0.0000000 -1.1880695 0.0000000 -0.4176509 -0.0000000 -1.5390041 26 O -1.5567602 -0.6385909 -0.2129758 -0.6385909 -2.2941415 -0.3688849 -0.2088254 -0.3616962 -1.5390041 27 O -2.6628321 -0.0000000 0.4259516 -0.0000000 -1.1880695 0.0000000 0.4176509 0.0000000 -1.5390041 28 O -1.8694174 -0.0495898 0.0000000 0.0495898 -1.8694174 0.0000000 -0.0000000 0.0000000 -1.7070764 29 O -1.8694174 0.0495898 0.0000000 -0.0495898 -1.8694174 0.0000000 -0.0000000 0.0000000 -1.7070764 30 O -1.5567602 -0.6385909 0.2129758 -0.6385909 -2.2941415 0.3688849 0.2088254 0.3616962 -1.5390041 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, 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: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:47:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:47:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.517490505805705 0.000000000000000 0.000000000000000 b -2.758745252902853 4.778286943167192 0.000000000000000 c 0.000000000000000 0.000000000000000 10.736417180000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.31311533084542 0.23181081529011 6.941 2 Li 0.00000000000000 0.40158211127195 0.87255701199594 6.941 3 Li 0.00000000000000 0.59841788872805 0.37255701199594 6.941 4 Li 0.00000000000000 0.68688466915458 0.73181081529011 6.941 5 Li 0.33333333333333 0.66666666666667 0.59356023056948 6.941 6 Li 0.33333333333333 0.66666666666667 0.09356023056948 6.941 7 Li 0.31311533084542 0.00000000000000 0.23181081529011 6.941 8 Li 0.40158211127195 0.00000000000000 0.87255701199594 6.941 9 Li 0.59841788872805 0.00000000000000 0.37255701199594 6.941 10 Li 0.31311533084542 0.31311533084542 0.73181081529011 6.941 11 Li 0.68688466915458 0.00000000000000 0.73181081529011 6.941 12 Li 0.40158211127195 0.40158211127195 0.37255701199594 6.941 13 Li 0.66666666666667 0.33333333333333 0.09356023056948 6.941 14 Li 0.66666666666667 0.33333333333333 0.59356023056948 6.941 15 Li 0.59841788872805 0.59841788872805 0.87255701199594 6.941 16 Li 0.68688466915458 0.68688466915458 0.23181081529011 6.941 17 Ti 0.00000000000000 0.00000000000000 0.00312233259032 47.867 18 Ti 0.00000000000000 0.00000000000000 0.50312233259032 47.867 19 O 0.00000000000000 0.31474237954567 0.05055843056508 15.999 20 O 0.00000000000000 0.68525762045433 0.55055843056508 15.999 21 O 0.33333333333333 0.66666666666667 0.78392847080401 15.999 22 O 0.00000000000000 0.00000000000000 0.83147267110930 15.999 23 O 0.00000000000000 0.00000000000000 0.33147267110930 15.999 24 O 0.33333333333333 0.66666666666667 0.28392847080401 15.999 25 O 0.31474237954567 0.00000000000000 0.05055843056508 15.999 26 O 0.31474237954567 0.31474237954567 0.55055843056508 15.999 27 O 0.68525762045433 0.00000000000000 0.55055843056508 15.999 28 O 0.66666666666667 0.33333333333333 0.28392847080401 15.999 29 O 0.66666666666667 0.33333333333333 0.78392847080401 15.999 30 O 0.68525762045433 0.68525762045433 0.05055843056508 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.034981011611411 0.000000000000000 0.000000000000000 b -5.517490505805706 9.556573886334384 0.000000000000000 c 0.000000000000000 0.000000000000000 10.736417180000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.15655766542271 0.23181081529011 6.941 > 1 2 Li 0.50000000000000 0.15655766542271 0.23181081529011 6.941 > 1 3 Li 0.00000000000000 0.65655766542271 0.23181081529011 6.941 > 1 4 Li 0.50000000000000 0.65655766542271 0.23181081529011 6.941 > 1 5 Li 0.00000000000000 0.20079105563597 0.87255701199594 6.941 > 5 6 Li 0.50000000000000 0.20079105563597 0.87255701199594 6.941 > 5 7 Li 0.00000000000000 0.70079105563597 0.87255701199594 6.941 > 5 8 Li 0.50000000000000 0.70079105563597 0.87255701199594 6.941 > 5 9 Li 0.00000000000000 0.29920894436403 0.37255701199594 6.941 > 9 10 Li 0.50000000000000 0.29920894436403 0.37255701199594 6.941 > 9 11 Li 0.00000000000000 0.79920894436403 0.37255701199594 6.941 > 9 12 Li 0.50000000000000 0.79920894436403 0.37255701199594 6.941 > 9 13 Li 0.00000000000000 0.34344233457729 0.73181081529011 6.941 > 13 14 Li 0.50000000000000 0.34344233457729 0.73181081529011 6.941 > 13 15 Li 0.00000000000000 0.84344233457729 0.73181081529011 6.941 > 13 16 Li 0.50000000000000 0.84344233457729 0.73181081529011 6.941 > 13 17 Li 0.16666666666667 0.33333333333333 0.59356023056948 6.941 > 17 18 Li 0.66666666666667 0.33333333333333 0.59356023056948 6.941 > 17 19 Li 0.16666666666667 0.83333333333333 0.59356023056948 6.941 > 17 20 Li 0.66666666666667 0.83333333333333 0.59356023056948 6.941 > 17 21 Li 0.16666666666667 0.33333333333333 0.09356023056948 6.941 > 21 22 Li 0.66666666666667 0.33333333333333 0.09356023056948 6.941 > 21 23 Li 0.16666666666667 0.83333333333333 0.09356023056948 6.941 > 21 24 Li 0.66666666666667 0.83333333333333 0.09356023056948 6.941 > 21 25 Li 0.15655766542271 0.00000000000000 0.23181081529011 6.941 > 25 26 Li 0.65655766542271 0.00000000000000 0.23181081529011 6.941 > 25 27 Li 0.15655766542271 0.50000000000000 0.23181081529011 6.941 > 25 28 Li 0.65655766542271 0.50000000000000 0.23181081529011 6.941 > 25 29 Li 0.20079105563597 0.00000000000000 0.87255701199594 6.941 > 29 30 Li 0.70079105563597 0.00000000000000 0.87255701199594 6.941 > 29 31 Li 0.20079105563597 0.50000000000000 0.87255701199594 6.941 > 29 32 Li 0.70079105563597 0.50000000000000 0.87255701199594 6.941 > 29 33 Li 0.29920894436403 0.00000000000000 0.37255701199594 6.941 > 33 34 Li 0.79920894436403 0.00000000000000 0.37255701199594 6.941 > 33 35 Li 0.29920894436403 0.50000000000000 0.37255701199594 6.941 > 33 36 Li 0.79920894436403 0.50000000000000 0.37255701199594 6.941 > 33 37 Li 0.15655766542271 0.15655766542271 0.73181081529011 6.941 > 37 38 Li 0.65655766542271 0.15655766542271 0.73181081529011 6.941 > 37 39 Li 0.15655766542271 0.65655766542271 0.73181081529011 6.941 > 37 40 Li 0.65655766542271 0.65655766542271 0.73181081529011 6.941 > 37 41 Li 0.34344233457729 0.00000000000000 0.73181081529011 6.941 > 41 42 Li 0.84344233457729 0.00000000000000 0.73181081529011 6.941 > 41 43 Li 0.34344233457729 0.50000000000000 0.73181081529011 6.941 > 41 44 Li 0.84344233457729 0.50000000000000 0.73181081529011 6.941 > 41 45 Li 0.20079105563597 0.20079105563597 0.37255701199594 6.941 > 45 46 Li 0.70079105563597 0.20079105563597 0.37255701199594 6.941 > 45 47 Li 0.20079105563597 0.70079105563597 0.37255701199594 6.941 > 45 48 Li 0.70079105563597 0.70079105563597 0.37255701199594 6.941 > 45 49 Li 0.33333333333333 0.16666666666667 0.09356023056948 6.941 > 49 50 Li 0.83333333333333 0.16666666666667 0.09356023056948 6.941 > 49 51 Li 0.33333333333333 0.66666666666667 0.09356023056948 6.941 > 49 52 Li 0.83333333333333 0.66666666666667 0.09356023056948 6.941 > 49 53 Li 0.33333333333333 0.16666666666667 0.59356023056948 6.941 > 53 54 Li 0.83333333333333 0.16666666666667 0.59356023056948 6.941 > 53 55 Li 0.33333333333333 0.66666666666667 0.59356023056948 6.941 > 53 56 Li 0.83333333333333 0.66666666666667 0.59356023056948 6.941 > 53 57 Li 0.29920894436403 0.29920894436403 0.87255701199594 6.941 > 57 58 Li 0.79920894436403 0.29920894436403 0.87255701199594 6.941 > 57 59 Li 0.29920894436403 0.79920894436403 0.87255701199594 6.941 > 57 60 Li 0.79920894436403 0.79920894436403 0.87255701199594 6.941 > 57 61 Li 0.34344233457729 0.34344233457729 0.23181081529011 6.941 > 61 62 Li 0.84344233457729 0.34344233457729 0.23181081529011 6.941 > 61 63 Li 0.34344233457729 0.84344233457729 0.23181081529011 6.941 > 61 64 Li 0.84344233457729 0.84344233457729 0.23181081529011 6.941 > 61 65 Ti 0.00000000000000 0.00000000000000 0.00312233259032 47.867 > 65 66 Ti 0.50000000000000 0.00000000000000 0.00312233259032 47.867 > 65 67 Ti 0.00000000000000 0.50000000000000 0.00312233259032 47.867 > 65 68 Ti 0.50000000000000 0.50000000000000 0.00312233259032 47.867 > 65 69 Ti 0.00000000000000 0.00000000000000 0.50312233259032 47.867 > 69 70 Ti 0.50000000000000 0.00000000000000 0.50312233259032 47.867 > 69 71 Ti 0.00000000000000 0.50000000000000 0.50312233259032 47.867 > 69 72 Ti 0.50000000000000 0.50000000000000 0.50312233259032 47.867 > 69 73 O 0.00000000000000 0.15737118977283 0.05055843056508 15.999 > 73 74 O 0.50000000000000 0.15737118977283 0.05055843056508 15.999 > 73 75 O 0.00000000000000 0.65737118977283 0.05055843056508 15.999 > 73 76 O 0.50000000000000 0.65737118977283 0.05055843056508 15.999 > 73 77 O 0.00000000000000 0.34262881022717 0.55055843056508 15.999 > 77 78 O 0.50000000000000 0.34262881022717 0.55055843056508 15.999 > 77 79 O 0.00000000000000 0.84262881022717 0.55055843056508 15.999 > 77 80 O 0.50000000000000 0.84262881022717 0.55055843056508 15.999 > 77 81 O 0.16666666666667 0.33333333333333 0.78392847080401 15.999 > 81 82 O 0.66666666666667 0.33333333333333 0.78392847080401 15.999 > 81 83 O 0.16666666666667 0.83333333333333 0.78392847080401 15.999 > 81 84 O 0.66666666666667 0.83333333333333 0.78392847080401 15.999 > 81 85 O 0.00000000000000 0.00000000000000 0.83147267110930 15.999 > 85 86 O 0.50000000000000 0.00000000000000 0.83147267110930 15.999 > 85 87 O 0.00000000000000 0.50000000000000 0.83147267110930 15.999 > 85 88 O 0.50000000000000 0.50000000000000 0.83147267110930 15.999 > 85 89 O 0.00000000000000 0.00000000000000 0.33147267110930 15.999 > 89 90 O 0.50000000000000 0.00000000000000 0.33147267110930 15.999 > 89 91 O 0.00000000000000 0.50000000000000 0.33147267110930 15.999 > 89 92 O 0.50000000000000 0.50000000000000 0.33147267110930 15.999 > 89 93 O 0.16666666666667 0.33333333333333 0.28392847080401 15.999 > 93 94 O 0.66666666666667 0.33333333333333 0.28392847080401 15.999 > 93 95 O 0.16666666666667 0.83333333333333 0.28392847080401 15.999 > 93 96 O 0.66666666666667 0.83333333333333 0.28392847080401 15.999 > 93 97 O 0.15737118977283 0.00000000000000 0.05055843056508 15.999 > 97 98 O 0.65737118977283 0.00000000000000 0.05055843056508 15.999 > 97 99 O 0.15737118977283 0.50000000000000 0.05055843056508 15.999 > 97 100 O 0.65737118977283 0.50000000000000 0.05055843056508 15.999 > 97 101 O 0.15737118977283 0.15737118977283 0.55055843056508 15.999 > 101 102 O 0.65737118977283 0.15737118977283 0.55055843056508 15.999 > 101 103 O 0.15737118977283 0.65737118977283 0.55055843056508 15.999 > 101 104 O 0.65737118977283 0.65737118977283 0.55055843056508 15.999 > 101 105 O 0.34262881022717 0.00000000000000 0.55055843056508 15.999 > 105 106 O 0.84262881022717 0.00000000000000 0.55055843056508 15.999 > 105 107 O 0.34262881022717 0.50000000000000 0.55055843056508 15.999 > 105 108 O 0.84262881022717 0.50000000000000 0.55055843056508 15.999 > 105 109 O 0.33333333333333 0.16666666666667 0.28392847080401 15.999 > 109 110 O 0.83333333333333 0.16666666666667 0.28392847080401 15.999 > 109 111 O 0.33333333333333 0.66666666666667 0.28392847080401 15.999 > 109 112 O 0.83333333333333 0.66666666666667 0.28392847080401 15.999 > 109 113 O 0.33333333333333 0.16666666666667 0.78392847080401 15.999 > 113 114 O 0.83333333333333 0.16666666666667 0.78392847080401 15.999 > 113 115 O 0.33333333333333 0.66666666666667 0.78392847080401 15.999 > 113 116 O 0.83333333333333 0.66666666666667 0.78392847080401 15.999 > 113 117 O 0.34262881022717 0.34262881022717 0.05055843056508 15.999 > 117 118 O 0.84262881022717 0.34262881022717 0.05055843056508 15.999 > 117 119 O 0.34262881022717 0.84262881022717 0.05055843056508 15.999 > 117 120 O 0.84262881022717 0.84262881022717 0.05055843056508 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1559778 -0.0000000 0.0000000 -0.0000000 3.1559778 0.0000000 0.0000000 0.0000000 3.1782676 -------------------------- Born effective charges -------------------------- 1 Li 0.9287279 0.0166142 -0.0669172 0.0166142 0.9095434 0.1159041 0.0561231 -0.0972080 1.0819715 2 Li 0.9144501 -0.0695397 0.0953955 -0.0695397 0.9947477 -0.1652298 0.0625279 -0.1083016 0.7883148 3 Li 0.9144501 -0.0695397 -0.0953955 -0.0695397 0.9947477 0.1652298 -0.0625279 0.1083016 0.7883148 4 Li 0.9287279 0.0166142 0.0669172 0.0166142 0.9095434 -0.1159041 -0.0561231 0.0972080 1.0819715 5 Li 1.0698107 0.2063997 0.0000000 -0.2063997 1.0698107 0.0000000 -0.0000000 0.0000000 1.0757233 6 Li 1.0698107 -0.2063997 0.0000000 0.2063997 1.0698107 0.0000000 -0.0000000 0.0000000 1.0757233 7 Li 0.8999512 -0.0000000 0.1338345 -0.0000000 0.9383201 0.0000000 -0.1122462 -0.0000000 1.0819715 8 Li 1.0348965 0.0000000 -0.1907909 0.0000000 0.8743013 0.0000000 -0.1250559 -0.0000000 0.7883148 9 Li 1.0348965 0.0000000 0.1907909 0.0000000 0.8743013 0.0000000 0.1250559 0.0000000 0.7883148 10 Li 0.9287279 -0.0166142 0.0669172 -0.0166142 0.9095434 0.1159041 -0.0561231 -0.0972080 1.0819715 11 Li 0.8999512 -0.0000000 -0.1338345 -0.0000000 0.9383201 0.0000000 0.1122462 0.0000000 1.0819715 12 Li 0.9144501 0.0695397 -0.0953955 0.0695397 0.9947477 -0.1652298 -0.0625279 -0.1083016 0.7883148 13 Li 1.0698107 0.2063997 0.0000000 -0.2063997 1.0698107 0.0000000 -0.0000000 0.0000000 1.0757233 14 Li 1.0698107 -0.2063997 0.0000000 0.2063997 1.0698107 0.0000000 -0.0000000 0.0000000 1.0757233 15 Li 0.9144501 0.0695397 0.0953955 0.0695397 0.9947477 0.1652298 0.0625279 0.1083016 0.7883148 16 Li 0.9287279 -0.0166142 -0.0669172 -0.0166142 0.9095434 -0.1159041 0.0561231 0.0972080 1.0819715 17 Ti 3.1014389 -0.0000000 0.0000000 -0.0000000 3.1014389 0.0000000 -0.0000000 0.0000000 2.9650465 18 Ti 3.1014389 -0.0000000 0.0000000 -0.0000000 3.1014389 0.0000000 -0.0000000 0.0000000 2.9650465 19 O -1.5567602 0.6385909 0.2129758 0.6385909 -2.2941415 -0.3688849 0.2088254 -0.3616962 -1.5390041 20 O -1.5567602 0.6385909 -0.2129758 0.6385909 -2.2941415 0.3688849 -0.2088254 0.3616962 -1.5390041 21 O -1.8694174 -0.0495898 0.0000000 0.0495898 -1.8694174 0.0000000 -0.0000000 0.0000000 -1.7070764 22 O -1.3470766 0.0000000 0.0000000 -0.0000000 -1.3470766 0.0000000 -0.0000000 0.0000000 -2.6961866 23 O -1.3470766 0.0000000 0.0000000 -0.0000000 -1.3470766 0.0000000 -0.0000000 0.0000000 -2.6961866 24 O -1.8694174 0.0495898 0.0000000 -0.0495898 -1.8694174 0.0000000 -0.0000000 0.0000000 -1.7070764 25 O -2.6628321 -0.0000000 -0.4259516 -0.0000000 -1.1880695 0.0000000 -0.4176509 -0.0000000 -1.5390041 26 O -1.5567602 -0.6385909 -0.2129758 -0.6385909 -2.2941415 -0.3688849 -0.2088254 -0.3616962 -1.5390041 27 O -2.6628321 -0.0000000 0.4259516 -0.0000000 -1.1880695 0.0000000 0.4176509 0.0000000 -1.5390041 28 O -1.8694174 -0.0495898 0.0000000 0.0495898 -1.8694174 0.0000000 -0.0000000 0.0000000 -1.7070764 29 O -1.8694174 0.0495898 0.0000000 -0.0495898 -1.8694174 0.0000000 -0.0000000 0.0000000 -1.7070764 30 O -1.5567602 -0.6385909 0.2129758 -0.6385909 -2.2941415 0.3688849 0.2088254 0.3616962 -1.5390041 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (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 ... [ 10 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 313, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 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 3.880 ( 0.000 -0.000 0.000) 0.000 3.880 ( 0.000 -0.000 0.000) 0.000 4.609 ( -0.000 0.000 0.000) 0.000 4.609 ( 0.000 -0.000 -0.000) 0.000 5.184 ( 0.000 -0.000 0.000) 0.000 5.790 ( -0.000 -0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 -0.000 0.000) 0.000 5.797 ( -0.000 0.000 0.000) 0.000 6.406 ( -0.000 0.000 -0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 6.816 ( 0.000 -0.000 0.000) 0.000 7.423 ( 0.000 -0.000 0.000) 0.000 7.720 ( 0.000 -0.000 0.000) 0.000 8.201 ( 0.000 0.000 -0.000) 0.000 8.201 ( 0.000 -0.000 0.000) 0.000 8.307 ( 0.000 -0.000 0.000) 0.000 8.475 ( 0.000 0.000 -0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 9.116 ( -0.000 0.000 0.000) 0.000 9.231 ( 0.000 -0.000 0.000) 0.000 9.512 ( 0.000 0.000 -0.000) 0.000 9.512 ( 0.000 0.000 -0.000) 0.000 9.598 ( 0.000 -0.000 0.000) 0.000 9.647 ( 0.000 0.000 0.000) 0.000 9.771 ( 0.000 0.000 -0.000) 0.000 9.771 ( 0.000 -0.000 0.000) 0.000 10.191 ( 0.000 -0.000 0.000) 0.000 10.987 ( 0.000 -0.000 0.000) 0.000 11.074 ( 0.000 -0.000 -0.000) 0.000 11.074 ( 0.000 0.000 0.000) 0.000 11.189 ( 0.000 0.000 0.000) 0.000 11.403 ( 0.000 -0.000 -0.000) 0.000 11.403 ( 0.000 0.000 0.000) 0.000 11.609 ( 0.000 0.000 0.000) 0.000 11.609 ( 0.000 -0.000 -0.000) 0.000 12.091 ( 0.000 0.000 0.000) 0.000 12.091 ( 0.000 0.000 -0.000) 0.000 12.113 ( 0.000 0.000 -0.000) 0.000 12.113 ( 0.000 0.000 0.000) 0.000 12.448 ( 0.000 0.000 0.000) 0.000 12.448 ( 0.000 0.000 0.000) 0.000 12.569 ( 0.000 0.000 0.000) 0.000 12.891 ( 0.000 -0.000 0.000) 0.000 12.988 ( -0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 13.089 ( 0.000 0.000 0.000) 0.000 13.476 ( -0.000 0.000 -0.000) 0.000 13.476 ( 0.000 -0.000 0.000) 0.000 13.621 ( 0.000 0.000 -0.000) 0.000 13.621 ( 0.000 -0.000 -0.000) 0.000 13.670 ( 0.000 -0.000 0.000) 0.000 13.687 ( 0.000 0.000 0.000) 0.000 13.973 ( 0.000 -0.000 0.000) 0.000 13.973 ( 0.000 -0.000 0.000) 0.000 14.160 ( 0.000 0.000 0.000) 0.000 14.160 ( 0.000 -0.000 -0.000) 0.000 14.359 ( -0.000 0.000 0.000) 0.000 14.359 ( 0.000 0.000 -0.000) 0.000 14.897 ( 0.000 0.000 0.000) 0.000 14.897 ( 0.000 -0.000 0.000) 0.000 15.037 ( 0.000 -0.000 0.000) 0.000 15.303 ( 0.000 0.000 0.000) 0.000 15.303 ( -0.000 0.000 -0.000) 0.000 16.017 ( 0.000 -0.000 0.000) 0.000 16.313 ( 0.000 -0.000 0.000) 0.000 16.313 ( 0.000 -0.000 0.000) 0.000 16.467 ( 0.000 0.000 -0.000) 0.000 16.467 ( 0.000 -0.000 0.000) 0.000 17.000 ( 0.000 -0.000 0.000) 0.000 17.542 ( 0.000 0.000 0.000) 0.000 18.406 ( 0.000 -0.000 0.000) 0.000 18.416 ( 0.000 0.000 -0.000) 0.000 18.416 ( 0.000 0.000 0.000) 0.000 18.506 ( 0.000 0.000 -0.000) 0.000 18.506 ( -0.000 0.000 0.000) 0.000 18.861 ( -0.000 0.000 0.000) 0.000 19.736 ( 0.000 -0.000 0.000) 0.000 20.832 ( 0.000 0.000 0.000) 0.000 22.083 ( -0.000 -0.000 0.000) 0.000 22.083 ( -0.000 0.000 -0.000) 0.000 22.111 ( -0.000 0.000 -0.000) 0.000 22.111 ( 0.000 -0.000 0.000) 0.000 22.837 ( 0.000 -0.000 0.000) 0.000 23.021 ( -0.000 -0.000 0.000) 0.000 23.782 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 38.117 22.007 0.000) 44.014 1.071 ( 44.102 25.462 0.000) 50.925 1.626 ( 65.936 38.068 0.000) 76.137 3.943 ( 5.170 2.985 0.000) 5.970 4.014 ( 7.975 4.604 0.000) 9.208 4.403 ( -7.633 -4.407 0.000) 8.814 4.695 ( 6.581 3.799 0.000) 7.599 5.469 ( 8.713 5.030 0.000) 10.061 5.623 ( -6.005 -3.467 0.000) 6.934 5.632 ( 4.476 2.584 0.000) 5.168 6.024 ( 5.770 3.331 0.000) 6.662 6.125 ( 10.297 5.945 0.000) 11.890 6.431 ( -1.529 -0.883 0.000) 1.766 6.469 ( 7.181 4.146 0.000) 8.292 6.790 ( -1.938 -1.119 0.000) 2.238 7.011 ( 9.305 5.372 0.000) 10.744 7.410 ( -0.151 -0.087 0.000) 0.174 7.710 ( -1.332 -0.769 0.000) 1.538 8.016 ( -9.651 -5.572 0.000) 11.144 8.158 ( -4.738 -2.735 0.000) 5.471 8.233 ( -15.695 -9.062 0.000) 18.123 8.378 ( -8.854 -5.112 0.000) 10.224 8.454 ( 4.547 2.625 0.000) 5.250 8.753 ( -25.082 -14.481 0.000) 28.962 9.254 ( 5.009 2.892 0.000) 5.784 9.379 ( -6.692 -3.864 0.000) 7.728 9.452 ( -7.628 -4.404 0.000) 8.809 9.532 ( -2.145 -1.238 0.000) 2.476 9.715 ( 0.924 0.533 0.000) 1.066 9.827 ( 3.088 1.783 0.000) 3.566 10.115 ( 10.359 5.981 0.000) 11.962 10.234 ( 8.868 5.120 0.000) 10.239 10.824 ( -11.723 -6.768 0.000) 13.536 11.073 ( 0.030 0.018 0.000) 0.035 11.085 ( 0.400 0.231 0.000) 0.462 11.255 ( 2.831 1.635 0.000) 3.269 11.346 ( -4.309 -2.488 0.000) 4.975 11.414 ( -3.029 -1.749 0.000) 3.498 11.606 ( -0.783 -0.452 0.000) 0.904 11.643 ( 2.091 1.207 0.000) 2.414 11.983 ( -7.335 -4.235 0.000) 8.470 12.062 ( -3.306 -1.909 0.000) 3.817 12.100 ( -6.663 -3.847 0.000) 7.694 12.229 ( -3.556 -2.053 0.000) 4.106 12.361 ( -5.607 -3.237 0.000) 6.474 12.570 ( 2.151 1.242 0.000) 2.484 12.623 ( -9.004 -5.198 0.000) 10.397 12.739 ( -15.367 -8.872 0.000) 17.745 12.798 ( 0.730 0.421 0.000) 0.843 12.951 ( -0.304 -0.175 0.000) 0.351 13.098 ( -1.214 -0.701 0.000) 1.401 13.330 ( -12.132 -7.005 0.000) 14.009 13.468 ( -6.635 -3.831 0.000) 7.661 13.589 ( -4.649 -2.684 0.000) 5.368 13.642 ( 4.459 2.574 0.000) 5.148 13.689 ( 8.056 4.651 0.000) 9.302 13.843 ( 5.144 2.970 0.000) 5.940 14.053 ( 4.008 2.314 0.000) 4.628 14.097 ( 7.698 4.445 0.000) 8.889 14.186 ( 2.450 1.415 0.000) 2.830 14.428 ( 4.400 2.541 0.000) 5.081 14.429 ( 5.929 3.423 0.000) 6.846 14.814 ( -3.130 -1.807 0.000) 3.614 14.861 ( 4.907 2.833 0.000) 5.666 14.893 ( 1.502 0.867 0.000) 1.734 15.148 ( 5.387 3.110 0.000) 6.220 15.337 ( 3.463 1.999 0.000) 3.999 16.006 ( -0.788 -0.455 0.000) 0.910 16.103 ( -0.782 -0.451 0.000) 0.903 16.267 ( -3.475 -2.006 0.000) 4.013 16.342 ( 2.222 1.283 0.000) 2.565 16.471 ( 0.347 0.200 0.000) 0.401 17.019 ( 0.385 0.222 0.000) 0.445 17.515 ( -2.146 -1.239 0.000) 2.479 17.827 ( -27.906 -16.111 0.000) 32.223 17.969 ( 2.772 1.600 0.000) 3.201 18.522 ( 8.281 4.781 0.000) 9.562 18.580 ( 5.979 3.452 0.000) 6.904 18.852 ( -1.238 -0.715 0.000) 1.430 18.877 ( 12.216 7.053 0.000) 14.106 19.011 ( 3.935 2.272 0.000) 4.544 19.738 ( 0.422 0.243 0.000) 0.487 20.808 ( -1.907 -1.101 0.000) 2.203 22.100 ( -0.383 -0.221 0.000) 0.442 22.140 ( 4.290 2.477 0.000) 4.954 22.160 ( 3.838 2.216 0.000) 4.431 22.988 ( 10.851 6.265 0.000) 12.530 23.063 ( 3.430 1.980 0.000) 3.961 23.772 ( -0.598 -0.345 0.000) 0.690 24.799 ( -2.912 -1.681 0.000) 3.362 ======================= Grid point 2 (3/42) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 37.995 21.936 0.000) 43.873 2.116 ( 42.081 24.295 0.000) 48.590 3.153 ( 59.401 34.295 0.000) 68.591 4.036 ( -2.284 -1.318 0.000) 2.637 4.125 ( 9.858 5.692 0.000) 11.383 4.540 ( 14.019 8.094 0.000) 16.187 4.879 ( 7.362 4.251 0.000) 8.501 5.402 ( -4.892 -2.825 0.000) 5.649 5.565 ( 1.353 0.781 0.000) 1.563 5.945 ( 2.085 1.204 0.000) 2.407 6.073 ( 7.131 4.117 0.000) 8.234 6.216 ( -2.575 -1.487 0.000) 2.973 6.538 ( 9.745 5.626 0.000) 11.252 6.692 ( 0.505 0.292 0.000) 0.583 6.801 ( 10.757 6.211 0.000) 12.421 7.178 ( -0.547 -0.316 0.000) 0.631 7.439 ( 1.276 0.736 0.000) 1.473 7.630 ( -6.789 -3.920 0.000) 7.839 7.703 ( -18.433 -10.642 0.000) 21.284 7.854 ( -14.149 -8.169 0.000) 16.338 7.943 ( -1.094 -0.632 0.000) 1.264 8.103 ( -13.112 -7.570 0.000) 15.140 8.430 ( -0.433 -0.250 0.000) 0.500 8.458 ( -3.581 -2.068 0.000) 4.136 9.108 ( -7.198 -4.156 0.000) 8.312 9.299 ( -4.084 -2.358 0.000) 4.716 9.345 ( -3.562 -2.057 0.000) 4.113 9.652 ( 9.333 5.389 0.000) 10.777 9.675 ( -3.996 -2.307 0.000) 4.614 9.925 ( 6.128 3.538 0.000) 7.076 10.135 ( -3.172 -1.831 0.000) 3.662 10.399 ( -10.327 -5.962 0.000) 11.924 10.651 ( 5.702 3.292 0.000) 6.584 11.051 ( -7.904 -4.563 0.000) 9.127 11.064 ( -1.211 -0.699 0.000) 1.398 11.080 ( -8.640 -4.988 0.000) 9.977 11.270 ( -6.864 -3.963 0.000) 7.926 11.349 ( -0.678 -0.391 0.000) 0.783 11.528 ( -6.307 -3.641 0.000) 7.282 11.696 ( -3.488 -2.014 0.000) 4.028 11.757 ( -9.649 -5.571 0.000) 11.141 11.863 ( -8.935 -5.159 0.000) 10.318 11.921 ( -6.623 -3.824 0.000) 7.647 12.235 ( -6.193 -3.575 0.000) 7.151 12.247 ( 3.067 1.771 0.000) 3.541 12.363 ( -10.219 -5.900 0.000) 11.800 12.413 ( -5.299 -3.060 0.000) 6.119 12.648 ( 1.685 0.973 0.000) 1.946 12.801 ( -0.888 -0.513 0.000) 1.025 12.912 ( -10.331 -5.965 0.000) 11.930 12.998 ( 3.714 2.144 0.000) 4.289 13.223 ( 0.236 0.136 0.000) 0.272 13.311 ( -5.411 -3.124 0.000) 6.248 13.423 ( -6.690 -3.863 0.000) 7.725 13.741 ( 3.288 1.898 0.000) 3.796 13.797 ( 0.324 0.187 0.000) 0.374 13.975 ( 5.530 3.193 0.000) 6.386 14.105 ( 0.264 0.152 0.000) 0.304 14.250 ( 4.521 2.610 0.000) 5.221 14.286 ( 4.886 2.821 0.000) 5.642 14.483 ( 0.091 0.053 0.000) 0.106 14.611 ( 7.697 4.444 0.000) 8.888 14.790 ( 0.204 0.118 0.000) 0.235 14.860 ( -0.517 -0.298 0.000) 0.596 15.099 ( 11.000 6.351 0.000) 12.702 15.213 ( -0.163 -0.094 0.000) 0.189 15.518 ( 11.095 6.406 0.000) 12.811 15.990 ( -0.425 -0.245 0.000) 0.490 16.083 ( -0.999 -0.577 0.000) 1.154 16.171 ( -3.835 -2.214 0.000) 4.429 16.401 ( 1.853 1.070 0.000) 2.140 16.489 ( 1.315 0.759 0.000) 1.519 16.964 ( -5.313 -3.068 0.000) 6.135 17.184 ( -22.934 -13.241 0.000) 26.482 17.450 ( -3.656 -2.111 0.000) 4.221 18.070 ( 5.130 2.962 0.000) 5.923 18.778 ( 9.881 5.705 0.000) 11.410 18.783 ( 12.495 7.214 0.000) 14.427 18.802 ( -2.493 -1.439 0.000) 2.879 19.075 ( 4.937 2.850 0.000) 5.700 19.152 ( 7.187 4.150 0.000) 8.299 19.768 ( 2.011 1.161 0.000) 2.322 20.744 ( -3.240 -1.871 0.000) 3.742 22.085 ( -0.854 -0.493 0.000) 0.986 22.281 ( 5.770 3.332 0.000) 6.663 22.288 ( 7.460 4.307 0.000) 8.614 23.182 ( 6.350 3.666 0.000) 7.332 23.268 ( 10.836 6.256 0.000) 12.513 23.770 ( 0.718 0.415 0.000) 0.829 24.695 ( -5.691 -3.285 0.000) 6.571 ======================= Grid point 3 (4/42) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 36.934 21.324 0.000) 42.648 3.089 ( 38.042 21.963 0.000) 43.927 4.074 ( 5.611 3.239 0.000) 6.479 4.322 ( 22.459 12.966 0.000) 25.933 4.499 ( 31.930 18.435 0.000) 36.869 4.823 ( 7.186 4.149 0.000) 8.298 5.022 ( 5.468 3.157 0.000) 6.314 5.282 ( -5.641 -3.257 0.000) 6.514 5.637 ( 2.154 1.244 0.000) 2.487 5.811 ( -7.198 -4.156 0.000) 8.311 6.122 ( -2.602 -1.502 0.000) 3.004 6.205 ( -2.599 -1.500 0.000) 3.001 6.602 ( -4.903 -2.831 0.000) 5.661 6.765 ( 2.504 1.446 0.000) 2.891 6.883 ( -13.086 -7.555 0.000) 15.110 7.039 ( 4.182 2.414 0.000) 4.829 7.301 ( -10.982 -6.340 0.000) 12.681 7.330 ( -12.624 -7.288 0.000) 14.577 7.511 ( 7.267 4.196 0.000) 8.391 7.777 ( -5.444 -3.143 0.000) 6.286 7.928 ( 6.103 3.524 0.000) 7.048 7.998 ( -1.757 -1.014 0.000) 2.029 8.519 ( 5.581 3.222 0.000) 6.444 8.543 ( 15.201 8.776 0.000) 17.552 8.997 ( -1.544 -0.891 0.000) 1.782 9.212 ( -6.410 -3.701 0.000) 7.402 9.260 ( -0.963 -0.556 0.000) 1.112 9.540 ( -6.961 -4.019 0.000) 8.038 9.808 ( 2.695 1.556 0.000) 3.112 9.974 ( -7.936 -4.582 0.000) 9.163 10.104 ( -11.621 -6.709 0.000) 13.419 10.147 ( 11.158 6.442 0.000) 12.884 10.683 ( -3.350 -1.934 0.000) 3.868 10.743 ( -11.316 -6.533 0.000) 13.066 10.930 ( -8.552 -4.938 0.000) 9.875 10.977 ( -13.550 -7.823 0.000) 15.647 11.134 ( -3.903 -2.254 0.000) 4.507 11.149 ( -13.673 -7.894 0.000) 15.788 11.339 ( -10.563 -6.099 0.000) 12.197 11.421 ( -1.929 -1.113 0.000) 2.227 11.516 ( -10.490 -6.057 0.000) 12.113 11.809 ( -3.246 -1.874 0.000) 3.748 11.903 ( 1.720 0.993 0.000) 1.986 12.020 ( -5.183 -2.993 0.000) 5.985 12.269 ( -1.403 -0.810 0.000) 1.620 12.283 ( -2.554 -1.475 0.000) 2.950 12.415 ( 6.749 3.897 0.000) 7.793 12.614 ( -5.730 -3.308 0.000) 6.616 12.764 ( -0.380 -0.220 0.000) 0.439 12.819 ( 2.279 1.316 0.000) 2.631 13.085 ( 2.762 1.595 0.000) 3.190 13.212 ( -2.382 -1.375 0.000) 2.750 13.226 ( -0.587 -0.339 0.000) 0.678 13.313 ( -2.173 -1.254 0.000) 2.509 13.757 ( -2.528 -1.460 0.000) 2.920 13.822 ( 3.666 2.117 0.000) 4.233 14.030 ( -7.151 -4.128 0.000) 8.257 14.095 ( 4.012 2.316 0.000) 4.632 14.319 ( 1.655 0.956 0.000) 1.911 14.381 ( 2.926 1.689 0.000) 3.379 14.476 ( -0.334 -0.193 0.000) 0.386 14.725 ( 1.101 0.636 0.000) 1.272 14.814 ( 2.242 1.294 0.000) 2.589 14.895 ( 3.623 2.092 0.000) 4.184 15.167 ( -3.080 -1.778 0.000) 3.556 15.380 ( 11.751 6.785 0.000) 13.569 15.789 ( 9.588 5.535 0.000) 11.071 15.970 ( -2.043 -1.179 0.000) 2.359 16.052 ( -0.649 -0.375 0.000) 0.749 16.116 ( -0.571 -0.330 0.000) 0.659 16.379 ( -3.854 -2.225 0.000) 4.450 16.545 ( 3.185 1.839 0.000) 3.677 16.773 ( -9.907 -5.720 0.000) 11.439 16.796 ( -8.264 -4.771 0.000) 9.543 17.346 ( -4.910 -2.835 0.000) 5.670 18.187 ( 4.096 2.365 0.000) 4.730 18.743 ( -2.093 -1.208 0.000) 2.417 19.034 ( 10.664 6.157 0.000) 12.314 19.077 ( 9.308 5.374 0.000) 10.748 19.166 ( 5.042 2.911 0.000) 5.822 19.328 ( 6.685 3.859 0.000) 7.719 19.821 ( 1.978 1.142 0.000) 2.283 20.661 ( -3.414 -1.971 0.000) 3.942 22.056 ( -1.516 -0.875 0.000) 1.751 22.418 ( 5.150 2.973 0.000) 5.947 22.477 ( 7.646 4.414 0.000) 8.829 23.363 ( 8.430 4.867 0.000) 9.734 23.480 ( 6.793 3.922 0.000) 7.844 23.804 ( 1.558 0.900 0.000) 1.800 24.529 ( -7.863 -4.540 0.000) 9.079 ======================= Grid point 4 (5/42) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( 33.033 19.072 0.000) 38.144 3.921 ( 29.728 17.163 0.000) 34.327 4.267 ( 9.028 5.212 0.000) 10.425 4.633 ( 8.543 4.932 0.000) 9.864 4.865 ( -2.647 -1.528 0.000) 3.056 4.947 ( 3.947 2.279 0.000) 4.558 5.065 ( -14.018 -8.093 0.000) 16.187 5.151 ( -3.427 -1.979 0.000) 3.958 5.662 ( -4.931 -2.847 0.000) 5.694 5.806 ( 17.414 10.054 0.000) 20.108 5.997 ( -9.265 -5.349 0.000) 10.699 6.160 ( 3.275 1.891 0.000) 3.782 6.361 ( -17.832 -10.295 0.000) 20.590 6.511 ( -2.773 -1.601 0.000) 3.202 6.888 ( -6.462 -3.731 0.000) 7.461 7.081 ( -1.117 -0.645 0.000) 1.290 7.133 ( -1.634 -0.944 0.000) 1.887 7.182 ( 2.753 1.590 0.000) 3.179 7.745 ( 6.206 3.583 0.000) 7.166 7.754 ( 8.719 5.034 0.000) 10.067 7.950 ( 0.071 0.041 0.000) 0.082 8.167 ( 10.577 6.107 0.000) 12.213 8.648 ( 4.576 2.642 0.000) 5.283 8.741 ( -2.506 -1.447 0.000) 2.893 9.034 ( -1.119 -0.646 0.000) 1.292 9.097 ( -13.238 -7.643 0.000) 15.286 9.340 ( 22.791 13.158 0.000) 26.316 9.352 ( -7.790 -4.498 0.000) 8.996 9.785 ( -8.488 -4.901 0.000) 9.801 9.801 ( -1.610 -0.929 0.000) 1.859 9.999 ( 5.437 3.139 0.000) 6.278 10.389 ( 5.966 3.444 0.000) 6.889 10.420 ( -23.372 -13.494 0.000) 26.988 10.481 ( -11.589 -6.691 0.000) 13.382 10.644 ( 0.114 0.066 0.000) 0.132 10.711 ( -6.973 -4.026 0.000) 8.052 10.869 ( -7.942 -4.585 0.000) 9.171 11.059 ( -4.317 -2.492 0.000) 4.984 11.228 ( -2.917 -1.684 0.000) 3.368 11.254 ( -10.011 -5.780 0.000) 11.559 11.397 ( -0.450 -0.260 0.000) 0.520 11.737 ( -2.677 -1.546 0.000) 3.092 11.786 ( -4.900 -2.829 0.000) 5.658 12.114 ( 5.987 3.456 0.000) 6.913 12.216 ( -2.302 -1.329 0.000) 2.658 12.244 ( -0.609 -0.352 0.000) 0.703 12.464 ( -5.544 -3.201 0.000) 6.402 12.621 ( 9.202 5.313 0.000) 10.626 12.802 ( 2.153 1.243 0.000) 2.487 12.869 ( 0.786 0.454 0.000) 0.908 13.087 ( -1.583 -0.914 0.000) 1.828 13.199 ( -1.169 -0.675 0.000) 1.350 13.247 ( 4.573 2.640 0.000) 5.280 13.295 ( -0.014 -0.008 0.000) 0.017 13.684 ( -4.823 -2.784 0.000) 5.569 13.804 ( -8.588 -4.958 0.000) 9.916 13.918 ( 4.034 2.329 0.000) 4.658 14.141 ( -0.450 -0.260 0.000) 0.520 14.363 ( 2.366 1.366 0.000) 2.732 14.435 ( 1.519 0.877 0.000) 1.754 14.473 ( 0.165 0.095 0.000) 0.190 14.716 ( -0.990 -0.572 0.000) 1.143 14.890 ( 3.511 2.027 0.000) 4.054 14.977 ( 2.401 1.386 0.000) 2.773 15.083 ( -3.591 -2.073 0.000) 4.146 15.640 ( 9.090 5.248 0.000) 10.496 15.896 ( -3.412 -1.970 0.000) 3.939 15.935 ( 2.648 1.529 0.000) 3.058 16.068 ( 1.256 0.725 0.000) 1.450 16.133 ( 2.387 1.378 0.000) 2.756 16.288 ( -2.379 -1.374 0.000) 2.747 16.514 ( -10.938 -6.315 0.000) 12.630 16.629 ( 3.475 2.006 0.000) 4.013 16.716 ( -0.525 -0.303 0.000) 0.606 17.226 ( -4.482 -2.588 0.000) 5.175 18.258 ( 1.769 1.022 0.000) 2.043 18.707 ( -0.905 -0.522 0.000) 1.045 19.155 ( 0.865 0.500 0.000) 0.999 19.266 ( 7.995 4.616 0.000) 9.231 19.382 ( 8.576 4.951 0.000) 9.903 19.446 ( 2.707 1.563 0.000) 3.126 19.848 ( 0.155 0.090 0.000) 0.180 20.591 ( -2.185 -1.261 0.000) 2.523 22.019 ( -1.309 -0.756 0.000) 1.511 22.516 ( 2.841 1.640 0.000) 3.281 22.633 ( 4.816 2.781 0.000) 5.561 23.573 ( 8.238 4.756 0.000) 9.513 23.615 ( 4.570 2.639 0.000) 5.277 23.820 ( -0.406 -0.235 0.000) 0.469 24.331 ( -7.876 -4.547 0.000) 9.095 ======================= Grid point 5 (6/42) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.165 ( -0.000 -0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.412 ( -0.000 -0.000 0.000) 0.000 4.689 ( -0.000 -0.000 0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 6.153 ( -0.000 -0.000 0.000) 0.000 6.166 ( 0.000 0.000 0.000) 0.000 6.474 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 7.023 ( 0.000 0.000 0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.842 ( 0.000 0.000 0.000) 0.000 7.926 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.683 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 9.027 ( 0.000 0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.670 ( -0.000 -0.000 0.000) 0.000 9.701 ( 0.000 0.000 0.000) 0.000 9.951 ( -0.000 -0.000 0.000) 0.000 10.072 ( 0.000 0.000 0.000) 0.000 10.100 ( 0.000 0.000 0.000) 0.000 10.115 ( 0.000 0.000 0.000) 0.000 10.502 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 10.782 ( 0.000 0.000 0.000) 0.000 10.984 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 11.180 ( 0.000 0.000 0.000) 0.000 11.395 ( 0.000 0.000 0.000) 0.000 11.699 ( 0.000 0.000 0.000) 0.000 11.726 ( 0.000 0.000 0.000) 0.000 12.187 ( 0.000 0.000 0.000) 0.000 12.200 ( 0.000 0.000 0.000) 0.000 12.246 ( 0.000 0.000 0.000) 0.000 12.379 ( 0.000 0.000 0.000) 0.000 12.802 ( 0.000 0.000 0.000) 0.000 12.824 ( -0.000 -0.000 0.000) 0.000 12.833 ( 0.000 0.000 0.000) 0.000 13.065 ( 0.000 0.000 0.000) 0.000 13.183 ( 0.000 0.000 0.000) 0.000 13.296 ( 0.000 0.000 0.000) 0.000 13.351 ( 0.000 0.000 0.000) 0.000 13.539 ( -0.000 -0.000 0.000) 0.000 13.724 ( 0.000 0.000 0.000) 0.000 13.983 ( 0.000 0.000 0.000) 0.000 14.115 ( 0.000 0.000 0.000) 0.000 14.403 ( 0.000 0.000 0.000) 0.000 14.453 ( 0.000 0.000 0.000) 0.000 14.477 ( 0.000 0.000 0.000) 0.000 14.700 ( 0.000 0.000 0.000) 0.000 14.953 ( -0.000 -0.000 0.000) 0.000 15.005 ( 0.000 0.000 0.000) 0.000 15.019 ( 0.000 0.000 0.000) 0.000 15.785 ( -0.000 -0.000 0.000) 0.000 15.822 ( 0.000 0.000 0.000) 0.000 15.959 ( 0.000 0.000 0.000) 0.000 16.085 ( 0.000 0.000 0.000) 0.000 16.240 ( -0.000 -0.000 0.000) 0.000 16.263 ( 0.000 0.000 0.000) 0.000 16.297 ( 0.000 0.000 0.000) 0.000 16.682 ( -0.000 -0.000 0.000) 0.000 16.714 ( 0.000 0.000 0.000) 0.000 17.164 ( 0.000 0.000 0.000) 0.000 18.278 ( 0.000 0.000 0.000) 0.000 18.697 ( 0.000 0.000 0.000) 0.000 19.164 ( 0.000 0.000 0.000) 0.000 19.381 ( 0.000 0.000 0.000) 0.000 19.464 ( 0.000 0.000 0.000) 0.000 19.497 ( 0.000 0.000 0.000) 0.000 19.843 ( 0.000 0.000 0.000) 0.000 20.563 ( 0.000 0.000 0.000) 0.000 22.002 ( 0.000 0.000 0.000) 0.000 22.551 ( 0.000 0.000 0.000) 0.000 22.694 ( 0.000 0.000 0.000) 0.000 23.682 ( 0.000 0.000 0.000) 0.000 23.696 ( 0.000 0.000 0.000) 0.000 23.803 ( -0.000 -0.000 0.000) 0.000 24.213 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/42) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 20.974 36.328 0.000) 41.947 1.841 ( 24.701 42.783 0.000) 49.401 2.775 ( 36.242 62.774 0.000) 72.485 4.047 ( 4.305 7.456 0.000) 8.609 4.067 ( -1.546 -2.678 0.000) 3.092 4.458 ( 7.453 12.909 0.000) 14.907 4.817 ( 4.894 8.476 0.000) 9.787 5.438 ( -3.274 -5.670 0.000) 6.547 5.584 ( -0.599 -1.037 0.000) 1.198 5.855 ( 7.237 12.534 0.000) 14.473 6.033 ( -0.928 -1.607 0.000) 1.856 6.299 ( 2.683 4.648 0.000) 5.367 6.495 ( 5.431 9.406 0.000) 10.861 6.618 ( 5.877 10.179 0.000) 11.753 6.752 ( -0.848 -1.470 0.000) 1.697 7.175 ( 4.607 7.979 0.000) 9.213 7.432 ( 1.046 1.812 0.000) 2.093 7.608 ( -6.603 -11.436 0.000) 13.205 7.835 ( -10.645 -18.438 0.000) 21.290 7.901 ( -2.326 -4.029 0.000) 4.652 8.108 ( -7.409 -12.832 0.000) 14.817 8.183 ( -7.456 -12.914 0.000) 14.912 8.319 ( -6.563 -11.368 0.000) 13.127 8.544 ( 0.880 1.525 0.000) 1.761 9.135 ( -6.279 -10.876 0.000) 12.558 9.353 ( -1.805 -3.126 0.000) 3.610 9.426 ( -2.668 -4.621 0.000) 5.336 9.518 ( 6.342 10.985 0.000) 12.684 9.726 ( -0.316 -0.547 0.000) 0.631 9.872 ( 0.809 1.402 0.000) 1.618 10.153 ( -0.557 -0.964 0.000) 1.113 10.508 ( 9.037 15.652 0.000) 18.074 10.581 ( -8.352 -14.467 0.000) 16.705 11.055 ( -1.579 -2.735 0.000) 3.158 11.085 ( -1.068 -1.850 0.000) 2.136 11.160 ( -5.895 -10.210 0.000) 11.790 11.300 ( -5.136 -8.895 0.000) 10.271 11.327 ( -0.676 -1.171 0.000) 1.353 11.564 ( -2.971 -5.146 0.000) 5.942 11.701 ( 2.238 3.877 0.000) 4.476 11.771 ( -6.325 -10.955 0.000) 12.650 11.936 ( -4.850 -8.401 0.000) 9.700 12.052 ( -1.471 -2.549 0.000) 2.943 12.216 ( 1.811 3.137 0.000) 3.623 12.336 ( -5.121 -8.870 0.000) 10.242 12.411 ( -4.583 -7.938 0.000) 9.166 12.471 ( -3.788 -6.561 0.000) 7.576 12.643 ( -0.871 -1.508 0.000) 1.741 12.729 ( -3.186 -5.518 0.000) 6.371 12.908 ( -3.886 -6.731 0.000) 7.773 13.063 ( -0.099 -0.171 0.000) 0.197 13.234 ( -0.564 -0.976 0.000) 1.127 13.305 ( -3.962 -6.863 0.000) 7.924 13.513 ( -2.591 -4.487 0.000) 5.181 13.686 ( -2.615 -4.529 0.000) 5.230 13.799 ( 2.353 4.075 0.000) 4.705 13.908 ( 4.631 8.021 0.000) 9.262 14.131 ( 1.538 2.665 0.000) 3.077 14.219 ( 1.514 2.622 0.000) 3.028 14.278 ( 4.973 8.613 0.000) 9.946 14.499 ( 1.579 2.736 0.000) 3.159 14.527 ( 3.810 6.599 0.000) 7.620 14.764 ( -0.489 -0.847 0.000) 0.978 14.871 ( -0.578 -1.000 0.000) 1.155 15.008 ( 4.820 8.348 0.000) 9.639 15.339 ( 6.623 11.472 0.000) 13.246 15.340 ( 0.240 0.416 0.000) 0.480 15.992 ( -0.402 -0.697 0.000) 0.805 16.089 ( -0.427 -0.740 0.000) 0.854 16.196 ( -2.493 -4.318 0.000) 4.986 16.396 ( 2.166 3.752 0.000) 4.333 16.457 ( -0.490 -0.848 0.000) 0.980 17.085 ( 1.748 3.028 0.000) 3.496 17.343 ( -14.840 -25.704 0.000) 29.680 17.471 ( -1.671 -2.894 0.000) 3.342 17.988 ( 0.468 0.810 0.000) 0.936 18.668 ( 5.478 9.488 0.000) 10.956 18.753 ( 6.461 11.192 0.000) 12.923 18.797 ( -1.759 -3.047 0.000) 3.518 19.040 ( 3.680 6.375 0.000) 7.361 19.111 ( 3.748 6.492 0.000) 7.496 19.758 ( 0.987 1.710 0.000) 1.975 20.764 ( -1.710 -2.963 0.000) 3.421 22.095 ( -0.465 -0.805 0.000) 0.929 22.237 ( 4.244 7.350 0.000) 8.487 22.262 ( 4.003 6.933 0.000) 8.006 23.133 ( 3.098 5.367 0.000) 6.197 23.199 ( 6.454 11.179 0.000) 12.908 23.767 ( 0.086 0.149 0.000) 0.172 24.727 ( -3.011 -5.215 0.000) 6.022 ======================= Grid point 13 (8/42) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 29.587 28.013 0.000) 40.744 2.755 ( 30.031 34.643 0.000) 45.848 4.022 ( 20.699 25.094 0.000) 32.529 4.074 ( 16.811 24.178 0.000) 29.448 4.260 ( 11.651 7.886 0.000) 14.069 4.768 ( 8.246 11.926 0.000) 14.500 4.999 ( 4.392 7.364 0.000) 8.575 5.338 ( -3.453 -2.728 0.000) 4.401 5.579 ( 2.075 -1.210 0.000) 2.402 5.893 ( -6.071 -3.584 0.000) 7.050 5.997 ( 1.587 -8.376 0.000) 8.525 6.373 ( -2.638 7.805 0.000) 8.239 6.619 ( -4.071 -6.911 0.000) 8.020 6.734 ( 6.820 12.108 0.000) 13.896 6.908 ( 5.769 0.322 0.000) 5.778 7.123 ( -13.303 -4.998 0.000) 14.211 7.269 ( -4.138 -15.963 0.000) 16.491 7.471 ( -0.446 3.666 0.000) 3.693 7.637 ( -18.731 -7.015 0.000) 20.002 7.672 ( 7.467 -5.742 0.000) 9.419 7.831 ( -3.547 -16.255 0.000) 16.637 8.027 ( 1.240 4.003 0.000) 4.190 8.349 ( 5.665 0.435 0.000) 5.682 8.594 ( 3.040 11.441 0.000) 11.838 8.951 ( -1.960 -8.049 0.000) 8.284 9.301 ( -6.509 -3.320 0.000) 7.307 9.370 ( 0.343 9.251 0.000) 9.258 9.632 ( -6.479 -1.787 0.000) 6.721 9.759 ( 7.121 2.751 0.000) 7.634 9.906 ( 3.797 -4.373 0.000) 5.792 10.070 ( -5.876 -5.272 0.000) 7.894 10.294 ( -8.622 -4.815 0.000) 9.876 10.669 ( -5.551 -9.141 0.000) 10.694 10.879 ( -2.136 1.728 0.000) 2.747 10.986 ( -5.194 -6.679 0.000) 8.461 11.064 ( -9.006 -9.854 0.000) 13.350 11.089 ( -3.767 -10.560 0.000) 11.212 11.164 ( 0.274 -8.744 0.000) 8.749 11.434 ( -2.148 -3.538 0.000) 4.140 11.606 ( -9.741 -1.595 0.000) 9.871 11.705 ( -9.301 -0.406 0.000) 9.310 11.842 ( -0.307 -0.445 0.000) 0.540 11.923 ( -8.102 1.138 0.000) 8.182 12.110 ( -7.817 -5.135 0.000) 9.353 12.251 ( -0.534 -4.053 0.000) 4.088 12.302 ( -2.548 -1.478 0.000) 2.946 12.376 ( 3.106 -2.020 0.000) 3.705 12.612 ( 2.818 -2.929 0.000) 4.064 12.663 ( -2.055 -8.931 0.000) 9.164 12.793 ( 1.554 -3.216 0.000) 3.572 13.075 ( -0.425 1.972 0.000) 2.017 13.210 ( -1.367 -1.685 0.000) 2.170 13.246 ( 0.910 -0.672 0.000) 1.131 13.367 ( -7.299 -2.624 0.000) 7.756 13.645 ( 6.125 -8.538 0.000) 10.508 13.819 ( -2.261 -1.177 0.000) 2.549 14.043 ( 2.863 3.967 0.000) 4.892 14.126 ( -3.870 0.389 0.000) 3.889 14.284 ( 1.756 2.622 0.000) 3.156 14.399 ( 1.675 2.726 0.000) 3.199 14.568 ( -0.764 9.350 0.000) 9.381 14.678 ( 4.983 3.165 0.000) 5.903 14.767 ( 2.729 -1.073 0.000) 2.932 14.858 ( 0.850 -0.245 0.000) 0.885 15.197 ( 4.779 5.486 0.000) 7.275 15.317 ( -0.695 4.434 0.000) 4.489 15.638 ( 12.405 7.123 0.000) 14.304 15.981 ( -0.322 -0.489 0.000) 0.586 16.068 ( -1.581 -0.936 0.000) 1.837 16.109 ( -1.550 -3.620 0.000) 3.938 16.421 ( -2.300 -0.913 0.000) 2.475 16.503 ( 4.032 3.838 0.000) 5.566 16.878 ( -10.922 -14.060 0.000) 17.803 17.047 ( -12.425 7.203 0.000) 14.362 17.395 ( -3.514 -2.893 0.000) 4.552 18.029 ( 7.496 -6.885 0.000) 10.178 18.741 ( -0.746 -3.032 0.000) 3.122 18.893 ( 8.860 7.247 0.000) 11.446 19.021 ( 8.628 12.487 0.000) 15.178 19.137 ( 2.141 2.733 0.000) 3.472 19.260 ( 5.494 5.424 0.000) 7.720 19.805 ( 1.651 2.145 0.000) 2.706 20.691 ( -2.660 -3.017 0.000) 4.022 22.066 ( -1.212 -1.567 0.000) 1.981 22.422 ( 4.356 10.317 0.000) 11.199 22.434 ( 5.706 9.306 0.000) 10.916 23.269 ( 6.219 4.419 0.000) 7.629 23.410 ( 6.021 6.248 0.000) 8.677 23.786 ( 1.166 0.946 0.000) 1.502 24.584 ( -5.442 -7.374 0.000) 9.165 ======================= Grid point 14 (9/42) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 32.461 21.759 0.000) 39.080 3.612 ( 28.015 26.317 0.000) 38.437 4.212 ( 6.919 10.598 0.000) 12.657 4.510 ( 11.086 6.681 0.000) 12.944 4.870 ( 7.471 8.952 0.000) 11.660 4.946 ( 0.787 7.408 0.000) 7.449 5.146 ( 4.061 5.316 0.000) 6.689 5.215 ( -7.999 -2.482 0.000) 8.375 5.622 ( 3.894 -1.754 0.000) 4.271 5.734 ( -1.646 -0.955 0.000) 1.903 5.897 ( 0.968 -13.011 0.000) 13.047 6.281 ( -9.021 -0.277 0.000) 9.026 6.482 ( -0.254 -6.941 0.000) 6.945 6.625 ( -17.647 -7.818 0.000) 19.301 6.944 ( -1.960 1.240 0.000) 2.319 7.023 ( 1.595 -1.044 0.000) 1.907 7.101 ( -0.953 -4.000 0.000) 4.112 7.335 ( -8.563 2.828 0.000) 9.018 7.628 ( 9.710 4.412 0.000) 10.666 7.687 ( 2.658 0.295 0.000) 2.674 7.903 ( 16.274 -3.681 0.000) 16.685 8.001 ( -3.000 0.796 0.000) 3.104 8.464 ( 7.679 -4.767 0.000) 9.038 8.812 ( -0.910 2.641 0.000) 2.793 9.024 ( 13.009 10.365 0.000) 16.634 9.121 ( -8.598 -3.921 0.000) 9.450 9.422 ( -11.629 6.346 0.000) 13.248 9.474 ( -5.182 0.600 0.000) 5.216 9.806 ( -0.065 -11.632 0.000) 11.632 9.841 ( 0.345 2.921 0.000) 2.941 9.966 ( -2.999 2.356 0.000) 3.813 10.211 ( 5.242 -4.280 0.000) 6.767 10.470 ( -3.992 -12.457 0.000) 13.081 10.578 ( -11.987 -16.477 0.000) 20.376 10.772 ( -8.719 -4.679 0.000) 9.895 10.895 ( -4.189 4.000 0.000) 5.792 11.032 ( -5.392 -1.303 0.000) 5.547 11.140 ( -2.527 -0.026 0.000) 2.527 11.314 ( -15.410 2.013 0.000) 15.540 11.400 ( -0.703 -0.838 0.000) 1.094 11.469 ( -15.584 0.334 0.000) 15.588 11.721 ( -2.747 -6.365 0.000) 6.933 11.883 ( -6.806 -1.934 0.000) 7.076 12.032 ( 4.416 1.773 0.000) 4.759 12.162 ( -1.568 -5.000 0.000) 5.240 12.294 ( 2.844 -3.369 0.000) 4.409 12.491 ( -2.244 -3.899 0.000) 4.499 12.508 ( 4.074 1.664 0.000) 4.400 12.683 ( 8.644 -4.797 0.000) 9.885 12.820 ( 3.486 -3.818 0.000) 5.170 13.082 ( 0.164 -1.073 0.000) 1.086 13.181 ( -0.853 -0.208 0.000) 0.878 13.237 ( -2.047 0.365 0.000) 2.079 13.274 ( 0.790 -2.450 0.000) 2.575 13.694 ( 6.671 -11.709 0.000) 13.476 13.721 ( -1.702 -3.998 0.000) 4.345 13.995 ( -7.368 -1.590 0.000) 7.538 14.105 ( -0.978 2.565 0.000) 2.745 14.330 ( 1.326 1.868 0.000) 2.291 14.424 ( 0.760 -1.069 0.000) 1.311 14.624 ( -3.892 10.652 0.000) 11.341 14.741 ( -1.178 1.823 0.000) 2.170 14.860 ( 4.417 4.307 0.000) 6.170 14.919 ( 4.521 1.804 0.000) 4.868 15.209 ( -5.065 5.264 0.000) 7.305 15.485 ( 10.319 2.387 0.000) 10.592 15.912 ( 8.163 6.822 0.000) 10.638 15.940 ( -2.433 -0.938 0.000) 2.607 16.029 ( -0.206 -1.829 0.000) 1.841 16.071 ( 0.987 -3.494 0.000) 3.631 16.329 ( -4.776 -2.200 0.000) 5.259 16.625 ( 3.010 6.544 0.000) 7.203 16.689 ( -0.457 -5.364 0.000) 5.383 16.816 ( -19.287 6.029 0.000) 20.207 17.285 ( -4.942 -2.896 0.000) 5.728 18.093 ( 9.678 -11.628 0.000) 15.128 18.709 ( -0.366 -1.267 0.000) 1.319 19.096 ( 5.450 2.883 0.000) 6.165 19.207 ( 4.207 3.929 0.000) 5.757 19.302 ( 8.195 9.539 0.000) 12.576 19.399 ( 4.573 2.691 0.000) 5.306 19.845 ( 0.635 0.843 0.000) 1.056 20.615 ( -2.399 -2.221 0.000) 3.269 22.024 ( -1.144 -2.031 0.000) 2.331 22.581 ( 0.091 12.078 0.000) 12.079 22.639 ( 3.761 11.287 0.000) 11.897 23.445 ( 8.866 2.468 0.000) 9.203 23.558 ( 5.302 3.559 0.000) 6.386 23.805 ( 0.511 -1.329 0.000) 1.424 24.384 ( -6.484 -9.398 0.000) 11.418 ======================= Grid point 15 (10/42) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( 26.606 14.453 0.000) 30.278 4.245 ( 16.127 12.020 0.000) 20.114 4.464 ( 4.456 13.279 0.000) 14.007 4.681 ( -2.765 -2.808 0.000) 3.941 4.832 ( -8.960 -9.313 0.000) 12.923 4.871 ( -2.932 3.111 0.000) 4.275 5.041 ( -5.082 2.455 0.000) 5.644 5.069 ( -6.979 -3.800 0.000) 7.947 5.532 ( -0.408 -7.528 0.000) 7.539 5.778 ( 3.074 -12.029 0.000) 12.416 6.019 ( 12.388 5.138 0.000) 13.411 6.195 ( -1.081 -2.671 0.000) 2.881 6.269 ( -14.266 2.215 0.000) 14.437 6.431 ( 0.547 -3.907 0.000) 3.945 6.768 ( -4.284 -6.680 0.000) 7.936 7.051 ( -2.212 1.934 0.000) 2.938 7.132 ( 3.016 0.382 0.000) 3.040 7.326 ( -3.041 8.253 0.000) 8.795 7.816 ( 7.023 1.327 0.000) 7.147 7.904 ( 7.379 11.171 0.000) 13.388 7.964 ( -0.492 -0.113 0.000) 0.505 8.147 ( 12.705 -7.203 0.000) 14.605 8.567 ( 10.448 -2.386 0.000) 10.717 8.763 ( -4.412 -2.825 0.000) 5.239 8.894 ( -9.861 -8.270 0.000) 12.870 9.080 ( -5.880 -0.096 0.000) 5.881 9.182 ( -1.082 -10.085 0.000) 10.143 9.630 ( -3.798 -7.332 0.000) 8.257 9.683 ( 4.734 10.802 0.000) 11.794 9.905 ( 0.377 10.135 0.000) 10.142 10.089 ( 0.958 2.959 0.000) 3.110 10.165 ( -1.837 0.625 0.000) 1.941 10.302 ( 7.414 -6.327 0.000) 9.747 10.400 ( -9.308 -0.561 0.000) 9.325 10.621 ( -5.010 2.493 0.000) 5.596 10.879 ( -5.828 3.755 0.000) 6.933 10.893 ( -6.540 7.431 0.000) 9.899 11.048 ( -6.719 1.657 0.000) 6.920 11.150 ( -3.022 -3.664 0.000) 4.749 11.206 ( -9.948 0.590 0.000) 9.966 11.410 ( -0.356 2.888 0.000) 2.910 11.638 ( 1.152 -6.884 0.000) 6.980 11.752 ( -3.737 -1.307 0.000) 3.959 12.098 ( 1.725 -4.541 0.000) 4.857 12.159 ( 5.079 -0.294 0.000) 5.087 12.300 ( 3.037 -6.688 0.000) 7.346 12.366 ( -5.401 2.093 0.000) 5.792 12.669 ( 8.885 -2.157 0.000) 9.143 12.764 ( 1.350 -5.105 0.000) 5.281 12.868 ( 7.436 -0.121 0.000) 7.437 13.037 ( -1.385 -5.621 0.000) 5.789 13.173 ( -0.358 0.270 0.000) 0.449 13.248 ( 3.005 -0.981 0.000) 3.161 13.273 ( 1.454 -2.460 0.000) 2.858 13.525 ( -3.581 -9.555 0.000) 10.204 13.788 ( 4.173 -0.413 0.000) 4.193 13.879 ( 0.973 -8.477 0.000) 8.533 14.085 ( -4.258 4.625 0.000) 6.286 14.377 ( 3.055 -1.503 0.000) 3.404 14.420 ( 0.076 -0.854 0.000) 0.857 14.661 ( -5.435 11.721 0.000) 12.920 14.719 ( -1.837 0.912 0.000) 2.051 14.919 ( 1.235 -0.829 0.000) 1.488 15.059 ( 1.757 10.055 0.000) 10.207 15.167 ( -7.158 7.065 0.000) 10.057 15.675 ( 9.057 0.088 0.000) 9.058 15.826 ( -4.464 -4.597 0.000) 6.408 15.997 ( -1.072 -0.612 0.000) 1.234 16.055 ( 1.789 -1.999 0.000) 2.683 16.183 ( 7.839 8.222 0.000) 11.359 16.257 ( 0.028 -0.016 0.000) 0.032 16.497 ( -17.945 1.388 0.000) 17.998 16.675 ( 1.903 -3.204 0.000) 3.726 16.738 ( -0.442 7.555 0.000) 7.568 17.179 ( -2.796 -2.051 0.000) 3.467 18.128 ( 8.696 -13.456 0.000) 16.021 18.698 ( -0.185 -0.079 0.000) 0.201 19.150 ( 0.641 0.390 0.000) 0.750 19.349 ( 4.920 2.730 0.000) 5.627 19.440 ( 1.078 -1.007 0.000) 1.475 19.511 ( 2.774 5.624 0.000) 6.271 19.844 ( -0.434 -0.616 0.000) 0.754 20.567 ( -0.913 -0.882 0.000) 1.270 21.992 ( -0.124 -1.532 0.000) 1.537 22.668 ( -4.463 11.931 0.000) 12.739 22.775 ( -2.133 10.866 0.000) 11.073 23.610 ( 6.613 -0.221 0.000) 6.617 23.688 ( 4.172 3.450 0.000) 5.414 23.771 ( -0.044 -4.835 0.000) 4.835 24.184 ( -2.738 -9.475 0.000) 9.862 ======================= Grid point 23 (11/42) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 18.208 31.537 0.000) 36.416 3.491 ( 19.717 34.150 0.000) 39.434 4.212 ( 7.061 12.229 0.000) 14.121 4.427 ( 5.488 9.506 0.000) 10.977 4.843 ( 11.133 19.283 0.000) 22.267 4.992 ( 5.591 9.683 0.000) 11.181 5.137 ( 2.137 3.701 0.000) 4.273 5.282 ( -1.653 -2.863 0.000) 3.306 5.565 ( 1.592 2.758 0.000) 3.184 5.756 ( -4.701 -8.143 0.000) 9.403 5.813 ( -5.246 -9.086 0.000) 10.491 6.377 ( -7.571 -13.113 0.000) 15.141 6.430 ( -1.006 -1.743 0.000) 2.013 6.730 ( -6.319 -10.945 0.000) 12.638 6.979 ( 2.805 4.859 0.000) 5.611 7.049 ( -1.235 -2.139 0.000) 2.470 7.084 ( -3.124 -5.412 0.000) 6.249 7.457 ( -2.307 -3.997 0.000) 4.615 7.568 ( 0.002 0.003 0.000) 0.004 7.627 ( 3.390 5.871 0.000) 6.779 7.678 ( 2.832 4.905 0.000) 5.664 8.045 ( -0.881 -1.526 0.000) 1.762 8.356 ( 0.003 0.005 0.000) 0.006 8.832 ( -1.961 -3.397 0.000) 3.922 8.962 ( 10.204 17.674 0.000) 20.408 9.197 ( -3.708 -6.423 0.000) 7.416 9.533 ( -1.354 -2.345 0.000) 2.708 9.615 ( -11.653 -20.183 0.000) 23.305 9.682 ( 10.057 17.419 0.000) 20.113 9.871 ( 0.792 1.372 0.000) 1.584 9.950 ( 0.128 0.222 0.000) 0.257 10.248 ( -0.176 -0.306 0.000) 0.353 10.404 ( -8.426 -14.595 0.000) 16.853 10.586 ( -10.694 -18.523 0.000) 21.388 10.824 ( -4.845 -8.391 0.000) 9.689 10.905 ( -4.288 -7.426 0.000) 8.575 11.058 ( 2.590 4.486 0.000) 5.180 11.167 ( 1.249 2.164 0.000) 2.498 11.399 ( 0.793 1.374 0.000) 1.586 11.555 ( -2.495 -4.322 0.000) 4.990 11.653 ( -3.848 -6.665 0.000) 7.696 11.744 ( -4.220 -7.309 0.000) 8.440 11.973 ( 1.049 1.817 0.000) 2.098 12.007 ( -4.085 -7.075 0.000) 8.169 12.136 ( -1.652 -2.861 0.000) 3.304 12.195 ( -3.763 -6.518 0.000) 7.527 12.409 ( 2.620 4.538 0.000) 5.240 12.468 ( -2.913 -5.046 0.000) 5.827 12.627 ( -1.096 -1.898 0.000) 2.192 12.720 ( -1.460 -2.528 0.000) 2.920 13.089 ( -0.089 -0.154 0.000) 0.178 13.209 ( 0.434 0.752 0.000) 0.869 13.229 ( -0.422 -0.731 0.000) 0.845 13.303 ( -2.059 -3.567 0.000) 4.119 13.490 ( -2.577 -4.464 0.000) 5.154 13.721 ( -4.227 -7.321 0.000) 8.453 14.084 ( -1.586 -2.746 0.000) 3.171 14.129 ( 1.081 1.873 0.000) 2.163 14.346 ( 1.460 2.528 0.000) 2.919 14.395 ( -0.883 -1.529 0.000) 1.766 14.752 ( 2.555 4.426 0.000) 5.110 14.753 ( 1.844 3.193 0.000) 3.687 14.852 ( 0.124 0.215 0.000) 0.248 14.854 ( 6.828 11.826 0.000) 13.656 15.343 ( 3.890 6.737 0.000) 7.779 15.347 ( 0.492 0.853 0.000) 0.985 15.834 ( 5.860 10.151 0.000) 11.721 15.974 ( -0.131 -0.226 0.000) 0.261 16.019 ( -2.450 -4.243 0.000) 4.899 16.050 ( -0.221 -0.383 0.000) 0.442 16.378 ( -1.901 -3.292 0.000) 3.801 16.634 ( 3.715 6.434 0.000) 7.430 16.651 ( -3.391 -5.873 0.000) 6.782 17.117 ( -1.650 -2.858 0.000) 3.300 17.337 ( -1.759 -3.047 0.000) 3.519 17.835 ( -5.230 -9.059 0.000) 10.460 18.704 ( -0.357 -0.619 0.000) 0.715 19.064 ( 4.868 8.432 0.000) 9.736 19.183 ( 1.079 1.868 0.000) 2.157 19.283 ( 6.983 12.094 0.000) 13.965 19.364 ( 2.465 4.269 0.000) 4.930 19.844 ( 0.693 1.200 0.000) 1.386 20.626 ( -1.723 -2.985 0.000) 3.447 22.024 ( -1.293 -2.240 0.000) 2.587 22.656 ( 6.586 11.407 0.000) 13.172 22.686 ( 7.932 13.739 0.000) 15.864 23.360 ( 2.513 4.352 0.000) 5.026 23.522 ( 2.773 4.802 0.000) 5.545 23.791 ( -0.589 -1.021 0.000) 1.178 24.390 ( -6.332 -10.967 0.000) 12.663 ======================= Grid point 24 (12/42) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( 23.243 22.977 0.000) 32.683 4.118 ( 15.983 20.914 0.000) 26.322 4.526 ( 6.911 18.077 0.000) 19.352 4.636 ( 8.172 5.820 0.000) 10.033 4.910 ( -11.590 -11.189 0.000) 16.109 4.953 ( -2.892 0.992 0.000) 3.058 5.060 ( -4.172 -10.883 0.000) 11.655 5.251 ( -5.907 4.405 0.000) 7.369 5.488 ( -2.612 -7.601 0.000) 8.037 5.640 ( -2.304 -8.844 0.000) 9.140 5.852 ( 8.316 2.115 0.000) 8.581 6.142 ( -3.526 -12.392 0.000) 12.884 6.389 ( -0.990 0.309 0.000) 1.038 6.556 ( -6.305 1.461 0.000) 6.472 6.796 ( -10.159 -5.386 0.000) 11.498 6.998 ( 4.153 -7.193 0.000) 8.306 7.186 ( -0.201 9.267 0.000) 9.269 7.459 ( -1.056 7.429 0.000) 7.503 7.639 ( 9.251 -1.003 0.000) 9.305 7.823 ( 9.155 1.894 0.000) 9.349 7.921 ( 8.219 8.752 0.000) 12.006 8.008 ( -0.212 3.436 0.000) 3.443 8.375 ( 5.514 -2.207 0.000) 5.939 8.762 ( -1.953 -4.703 0.000) 5.093 8.981 ( -8.203 -9.604 0.000) 12.630 9.119 ( -10.494 -20.818 0.000) 23.313 9.138 ( -0.331 -0.033 0.000) 0.333 9.704 ( 5.089 12.930 0.000) 13.896 9.791 ( -14.108 -4.052 0.000) 14.679 9.994 ( 4.035 3.849 0.000) 5.577 10.106 ( 5.286 10.579 0.000) 11.826 10.142 ( 4.705 0.691 0.000) 4.756 10.214 ( -3.936 5.863 0.000) 7.061 10.430 ( 1.907 -4.967 0.000) 5.320 10.685 ( -1.393 -3.008 0.000) 3.315 10.831 ( 2.310 -2.652 0.000) 3.517 11.026 ( -2.261 -4.380 0.000) 4.929 11.188 ( -2.906 2.824 0.000) 4.052 11.346 ( -13.215 0.984 0.000) 13.251 11.467 ( -9.396 -2.125 0.000) 9.634 11.489 ( -6.321 6.861 0.000) 9.329 11.601 ( -3.160 -1.479 0.000) 3.489 11.827 ( -6.649 -3.478 0.000) 7.504 12.013 ( 1.373 -5.153 0.000) 5.332 12.065 ( 3.182 -9.194 0.000) 9.730 12.130 ( 2.682 -3.559 0.000) 4.457 12.402 ( 2.541 -8.762 0.000) 9.123 12.540 ( 0.583 5.066 0.000) 5.099 12.601 ( 9.780 -5.538 0.000) 11.239 12.686 ( 1.221 -5.350 0.000) 5.487 13.054 ( -3.172 -2.783 0.000) 4.220 13.212 ( -0.301 0.949 0.000) 0.996 13.230 ( 1.005 -1.180 0.000) 1.550 13.246 ( -2.908 2.018 0.000) 3.540 13.443 ( 2.877 -9.757 0.000) 10.172 13.573 ( -0.153 -8.493 0.000) 8.494 13.984 ( -5.148 -1.148 0.000) 5.275 14.162 ( -0.521 2.374 0.000) 2.431 14.360 ( -1.157 -0.009 0.000) 1.157 14.394 ( 1.728 0.043 0.000) 1.729 14.779 ( -1.994 1.982 0.000) 2.812 14.827 ( -0.798 8.269 0.000) 8.308 14.885 ( 2.234 0.458 0.000) 2.280 15.113 ( 5.506 11.731 0.000) 12.959 15.332 ( -3.605 5.030 0.000) 6.189 15.523 ( 8.674 3.181 0.000) 9.239 15.892 ( -5.991 -2.661 0.000) 6.556 15.947 ( 2.336 -1.874 0.000) 2.995 15.995 ( 1.699 -3.520 0.000) 3.908 16.181 ( 6.900 14.290 0.000) 15.868 16.279 ( -3.805 -3.267 0.000) 5.015 16.578 ( 1.494 -4.575 0.000) 4.813 16.788 ( 1.516 8.201 0.000) 8.340 16.925 ( -16.827 2.883 0.000) 17.072 17.228 ( -6.285 -2.332 0.000) 6.704 17.733 ( 10.817 -21.134 0.000) 23.741 18.702 ( -0.014 0.351 0.000) 0.351 19.179 ( -0.914 4.662 0.000) 4.751 19.266 ( 6.538 2.029 0.000) 6.846 19.419 ( 0.733 0.299 0.000) 0.791 19.510 ( 5.288 8.744 0.000) 10.219 19.845 ( -0.652 -1.008 0.000) 1.201 20.574 ( -1.175 -1.559 0.000) 1.952 21.983 ( -0.750 -1.671 0.000) 1.832 22.870 ( 0.656 14.648 0.000) 14.663 22.952 ( 1.765 17.969 0.000) 18.055 23.465 ( 7.042 -0.254 0.000) 7.047 23.627 ( 4.894 2.748 0.000) 5.613 23.730 ( -2.063 -5.904 0.000) 6.254 24.138 ( -6.366 -13.896 0.000) 15.285 ======================= Grid point 25 (13/42) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.174 ( -1.961 3.397 0.000) 3.923 4.434 ( -3.171 5.492 0.000) 6.342 4.525 ( 1.466 -2.540 0.000) 2.932 4.691 ( -3.604 6.242 0.000) 7.208 4.743 ( 0.865 -1.499 0.000) 1.731 4.934 ( 3.584 -6.207 0.000) 7.167 5.059 ( -4.011 6.947 0.000) 8.021 5.076 ( -2.662 4.611 0.000) 5.325 5.491 ( -2.420 4.191 0.000) 4.840 5.528 ( 6.235 -10.800 0.000) 12.471 5.921 ( 6.143 -10.641 0.000) 12.287 6.019 ( 6.613 -11.455 0.000) 13.227 6.397 ( -3.016 5.224 0.000) 6.032 6.514 ( -7.389 12.798 0.000) 14.778 6.659 ( 2.190 -3.793 0.000) 4.379 7.013 ( 3.434 -5.948 0.000) 6.868 7.235 ( -4.506 7.805 0.000) 9.013 7.497 ( -4.508 7.808 0.000) 9.016 7.788 ( 3.357 -5.814 0.000) 6.714 7.885 ( 2.973 -5.149 0.000) 5.946 7.896 ( 6.963 -12.060 0.000) 13.926 8.193 ( -6.640 11.502 0.000) 13.281 8.577 ( 2.149 -3.722 0.000) 4.297 8.638 ( 1.410 -2.442 0.000) 2.820 8.742 ( 2.185 -3.784 0.000) 4.369 8.901 ( 5.543 -9.601 0.000) 11.086 9.183 ( -2.279 3.948 0.000) 4.558 9.498 ( 1.718 -2.975 0.000) 3.436 9.860 ( -3.740 6.478 0.000) 7.480 10.063 ( -0.396 0.686 0.000) 0.792 10.119 ( -5.397 9.347 0.000) 10.793 10.192 ( 1.651 -2.859 0.000) 3.302 10.292 ( -0.206 0.356 0.000) 0.411 10.492 ( -3.852 6.672 0.000) 7.704 10.696 ( 2.707 -4.688 0.000) 5.413 10.917 ( -2.849 4.934 0.000) 5.697 11.053 ( 2.456 -4.253 0.000) 4.911 11.100 ( -8.225 14.247 0.000) 16.451 11.138 ( -4.186 7.251 0.000) 8.373 11.269 ( -3.490 6.045 0.000) 6.981 11.487 ( 3.232 -5.597 0.000) 6.463 11.581 ( -5.827 10.093 0.000) 11.654 11.735 ( 0.166 -0.288 0.000) 0.332 11.970 ( 5.500 -9.526 0.000) 11.000 12.082 ( 6.245 -10.816 0.000) 12.489 12.138 ( 0.584 -1.012 0.000) 1.169 12.379 ( 4.048 -7.011 0.000) 8.096 12.563 ( 2.180 -3.776 0.000) 4.361 12.634 ( 2.474 -4.286 0.000) 4.949 12.778 ( 5.118 -8.865 0.000) 10.236 12.944 ( 0.670 -1.161 0.000) 1.341 13.222 ( 0.649 -1.123 0.000) 1.297 13.226 ( -2.137 3.701 0.000) 4.274 13.235 ( 0.424 -0.734 0.000) 0.848 13.392 ( 1.907 -3.303 0.000) 3.813 13.550 ( 6.493 -11.246 0.000) 12.986 13.924 ( -1.385 2.398 0.000) 2.769 14.167 ( -1.513 2.620 0.000) 3.026 14.347 ( -0.285 0.493 0.000) 0.570 14.414 ( 0.543 -0.940 0.000) 1.085 14.764 ( -1.760 3.048 0.000) 3.520 14.876 ( -4.620 8.002 0.000) 9.240 14.904 ( 0.080 -0.138 0.000) 0.159 15.232 ( -2.947 5.104 0.000) 5.894 15.327 ( -3.244 5.619 0.000) 6.488 15.700 ( -0.330 0.572 0.000) 0.661 15.745 ( 0.136 -0.235 0.000) 0.272 15.965 ( -0.056 0.097 0.000) 0.112 15.982 ( 2.677 -4.636 0.000) 5.354 16.206 ( 1.239 -2.147 0.000) 2.479 16.495 ( -5.517 9.556 0.000) 11.034 16.518 ( -1.451 2.513 0.000) 2.901 16.630 ( -2.426 4.201 0.000) 4.851 16.904 ( -4.248 7.358 0.000) 8.496 17.135 ( 1.174 -2.034 0.000) 2.349 17.728 ( 13.360 -23.140 0.000) 26.720 18.704 ( -0.295 0.511 0.000) 0.590 19.190 ( -1.873 3.245 0.000) 3.747 19.385 ( 0.113 -0.195 0.000) 0.225 19.387 ( 1.516 -2.626 0.000) 3.032 19.620 ( -2.496 4.323 0.000) 4.992 19.821 ( 0.839 -1.453 0.000) 1.677 20.555 ( 0.171 -0.296 0.000) 0.341 21.967 ( 0.447 -0.774 0.000) 0.894 22.955 ( -8.173 14.155 0.000) 16.345 23.073 ( -9.505 16.464 0.000) 19.010 23.589 ( 1.463 -2.533 0.000) 2.925 23.618 ( 4.823 -8.354 0.000) 9.646 23.734 ( -0.135 0.235 0.000) 0.271 23.950 ( 6.783 -11.749 0.000) 13.567 ======================= Grid point 35 (14/42) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.149 ( 12.605 21.833 0.000) 25.210 4.479 ( 7.294 12.633 0.000) 14.587 4.611 ( -9.001 -15.589 0.000) 18.001 4.708 ( 1.415 2.451 0.000) 2.831 4.777 ( -1.494 -2.588 0.000) 2.989 4.798 ( -5.527 -9.573 0.000) 11.054 5.066 ( 8.106 14.040 0.000) 16.211 5.315 ( -0.922 -1.597 0.000) 1.844 5.326 ( -3.234 -5.602 0.000) 6.468 5.602 ( 2.243 3.884 0.000) 4.485 5.753 ( -3.679 -6.372 0.000) 7.358 5.853 ( -7.107 -12.310 0.000) 14.215 6.481 ( 3.129 5.419 0.000) 6.258 6.585 ( -0.283 -0.491 0.000) 0.567 6.790 ( -0.262 -0.453 0.000) 0.524 6.854 ( -0.672 -1.164 0.000) 1.344 7.343 ( 2.583 4.474 0.000) 5.166 7.593 ( 2.487 4.308 0.000) 4.974 7.662 ( 2.385 4.131 0.000) 4.770 7.735 ( -3.863 -6.692 0.000) 7.727 7.843 ( -4.771 -8.264 0.000) 9.542 8.373 ( 9.997 17.315 0.000) 19.994 8.408 ( 3.024 5.237 0.000) 6.048 8.670 ( -2.142 -3.710 0.000) 4.284 8.733 ( -7.159 -12.399 0.000) 14.318 8.783 ( -4.733 -8.199 0.000) 9.467 9.220 ( 4.126 7.146 0.000) 8.251 9.504 ( -8.335 -14.437 0.000) 16.671 9.928 ( 3.847 6.663 0.000) 7.693 10.093 ( 0.574 0.995 0.000) 1.149 10.133 ( -0.146 -0.253 0.000) 0.293 10.243 ( 2.664 4.614 0.000) 5.327 10.316 ( -1.111 -1.924 0.000) 2.221 10.530 ( 4.733 8.199 0.000) 9.467 10.641 ( 0.432 0.748 0.000) 0.863 10.847 ( -5.567 -9.643 0.000) 11.135 11.045 ( 11.288 19.552 0.000) 22.577 11.222 ( 0.148 0.257 0.000) 0.297 11.377 ( -0.139 -0.241 0.000) 0.278 11.444 ( 2.316 4.012 0.000) 4.632 11.489 ( -2.886 -4.999 0.000) 5.773 11.605 ( -3.175 -5.499 0.000) 6.350 11.752 ( -4.644 -8.044 0.000) 9.289 11.818 ( -2.032 -3.520 0.000) 4.065 11.908 ( -2.235 -3.872 0.000) 4.471 12.124 ( 0.163 0.282 0.000) 0.325 12.253 ( -2.138 -3.703 0.000) 4.276 12.503 ( -0.151 -0.262 0.000) 0.303 12.582 ( -2.663 -4.613 0.000) 5.327 12.702 ( 4.725 8.183 0.000) 9.449 12.927 ( -4.849 -8.398 0.000) 9.697 13.214 ( 0.133 0.231 0.000) 0.267 13.222 ( -0.060 -0.104 0.000) 0.120 13.307 ( 0.966 1.674 0.000) 1.933 13.334 ( -0.290 -0.503 0.000) 0.581 13.426 ( -2.789 -4.830 0.000) 5.578 13.935 ( -1.203 -2.084 0.000) 2.406 14.206 ( 0.767 1.328 0.000) 1.534 14.364 ( 0.388 0.671 0.000) 0.775 14.392 ( -0.333 -0.577 0.000) 0.666 14.799 ( -0.003 -0.005 0.000) 0.006 14.912 ( 1.059 1.834 0.000) 2.117 14.966 ( 2.152 3.727 0.000) 4.304 15.289 ( 2.779 4.813 0.000) 5.558 15.365 ( -0.677 -1.173 0.000) 1.354 15.670 ( 5.273 9.133 0.000) 10.546 15.822 ( -2.650 -4.590 0.000) 5.301 15.890 ( -1.716 -2.973 0.000) 3.433 15.998 ( 2.303 3.988 0.000) 4.605 16.165 ( -3.769 -6.528 0.000) 7.538 16.484 ( 2.461 4.263 0.000) 4.923 16.565 ( 7.073 12.250 0.000) 14.145 16.872 ( -4.514 -7.819 0.000) 9.029 16.971 ( 4.869 8.433 0.000) 9.737 17.179 ( -3.014 -5.221 0.000) 6.029 17.314 ( -7.736 -13.400 0.000) 15.473 18.711 ( 0.177 0.307 0.000) 0.355 19.253 ( 0.864 1.497 0.000) 1.728 19.318 ( 2.052 3.553 0.000) 4.103 19.394 ( -1.460 -2.528 0.000) 2.919 19.672 ( 3.587 6.213 0.000) 7.175 19.799 ( -1.911 -3.310 0.000) 3.822 20.552 ( -0.300 -0.519 0.000) 0.600 21.959 ( -0.330 -0.572 0.000) 0.661 23.167 ( 7.103 12.303 0.000) 14.206 23.334 ( 9.410 16.298 0.000) 18.819 23.441 ( -1.476 -2.556 0.000) 2.952 23.570 ( -3.579 -6.198 0.000) 7.157 23.673 ( 0.243 0.421 0.000) 0.487 23.823 ( -8.418 -14.580 0.000) 16.835 ======================= Grid point 109 (15/42) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.000 -0.000 50.067) 50.067 0.942 ( 0.000 0.000 50.067) 50.067 1.405 ( -0.000 0.000 74.601) 74.601 3.459 ( 0.000 -0.000 -35.424) 35.424 3.459 ( -0.000 0.000 -35.424) 35.424 4.866 ( 0.000 0.000 -34.003) 34.003 4.894 ( 0.000 0.000 20.999) 20.999 4.894 ( 0.000 0.000 20.999) 20.999 5.719 ( -0.000 0.000 -7.352) 7.352 5.719 ( 0.000 -0.000 -7.352) 7.352 5.863 ( -0.000 -0.000 6.869) 6.869 5.863 ( 0.000 -0.000 6.869) 6.869 6.362 ( 0.000 0.000 -4.797) 4.797 6.362 ( 0.000 0.000 -4.797) 4.797 6.609 ( 0.000 -0.000 1.992) 1.992 6.908 ( 0.000 -0.000 9.537) 9.537 7.073 ( 0.000 -0.000 -21.832) 21.832 7.649 ( 0.000 0.000 -7.777) 7.777 8.246 ( -0.000 -0.000 4.530) 4.530 8.246 ( 0.000 0.000 4.530) 4.530 8.472 ( -0.000 0.000 -0.607) 0.607 8.472 ( -0.000 -0.000 -0.607) 0.607 8.839 ( 0.000 0.000 40.888) 40.888 9.096 ( 0.000 0.000 -1.957) 1.957 9.151 ( 0.000 0.000 -6.438) 6.438 9.534 ( 0.000 0.000 2.428) 2.428 9.534 ( 0.000 -0.000 2.428) 2.428 9.664 ( 0.000 -0.000 7.266) 7.266 9.749 ( -0.000 0.000 -2.361) 2.361 9.749 ( 0.000 0.000 -2.361) 2.361 10.143 ( 0.000 -0.000 -8.568) 8.568 10.332 ( -0.000 -0.000 13.244) 13.244 10.867 ( 0.000 0.000 -17.441) 17.441 11.011 ( -0.000 -0.000 -5.654) 5.654 11.011 ( -0.000 0.000 -5.654) 5.654 11.106 ( 0.000 -0.000 -8.483) 8.483 11.167 ( 0.000 -0.000 -14.540) 14.540 11.167 ( 0.000 0.000 -14.540) 14.540 11.838 ( 0.000 0.000 13.232) 13.232 11.838 ( 0.000 0.000 13.232) 13.232 12.095 ( -0.000 -0.000 0.006) 0.006 12.095 ( 0.000 -0.000 0.006) 0.006 12.160 ( 0.000 -0.000 5.368) 5.368 12.160 ( 0.000 0.000 5.368) 5.368 12.446 ( -0.000 -0.000 -0.461) 0.461 12.446 ( 0.000 0.000 -0.461) 0.461 12.675 ( 0.000 0.000 10.927) 10.927 12.976 ( 0.000 0.000 8.633) 8.633 13.047 ( 0.000 -0.000 5.879) 5.879 13.047 ( -0.000 -0.000 5.879) 5.879 13.419 ( 0.000 -0.000 -4.927) 4.927 13.419 ( 0.000 0.000 -4.927) 4.927 13.549 ( -0.000 0.000 -9.881) 9.881 13.600 ( 0.000 -0.000 -7.225) 7.225 13.670 ( 0.000 0.000 4.210) 4.210 13.670 ( -0.000 0.000 4.210) 4.210 13.948 ( -0.000 0.000 -2.835) 2.835 13.948 ( 0.000 0.000 -2.835) 2.835 14.167 ( 0.000 0.000 0.730) 0.730 14.167 ( -0.000 0.000 0.730) 0.730 14.317 ( 0.000 0.000 -3.908) 3.908 14.317 ( 0.000 0.000 -3.908) 3.908 14.419 ( 0.000 -0.000 7.707) 7.707 14.927 ( 0.000 0.000 3.219) 3.219 14.927 ( 0.000 -0.000 3.219) 3.219 14.980 ( 0.000 0.000 -6.024) 6.024 15.255 ( 0.000 -0.000 -4.892) 4.892 15.255 ( 0.000 0.000 -4.892) 4.892 16.333 ( 0.000 0.000 1.983) 1.983 16.333 ( 0.000 0.000 1.983) 1.983 16.457 ( -0.000 -0.000 -1.121) 1.121 16.457 ( 0.000 0.000 -1.121) 1.121 17.057 ( 0.000 0.000 5.886) 5.886 17.495 ( 0.000 0.000 -4.939) 4.939 18.181 ( -0.000 0.000 -0.032) 0.032 18.371 ( 0.000 0.000 -3.605) 3.605 18.428 ( 0.000 0.000 1.194) 1.194 18.428 ( -0.000 0.000 1.194) 1.194 18.500 ( 0.000 -0.000 -0.595) 0.595 18.500 ( -0.000 0.000 -0.595) 0.595 19.224 ( 0.000 0.000 9.183) 9.183 19.704 ( 0.000 -0.000 -3.603) 3.603 22.085 ( 0.000 0.000 0.272) 0.272 22.085 ( 0.000 -0.000 0.272) 0.272 22.109 ( 0.000 0.000 -0.295) 0.295 22.109 ( 0.000 -0.000 -0.295) 0.295 22.534 ( 0.000 0.000 2.131) 2.131 22.791 ( -0.000 0.000 -4.552) 4.552 23.824 ( 0.000 -0.000 4.121) 4.121 24.079 ( 0.000 0.000 -2.491) 2.491 ======================= Grid point 110 (16/42) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 29.322 16.929 26.707) 43.123 1.315 ( 26.498 15.299 35.615) 46.953 2.231 ( 50.940 29.410 49.910) 77.142 3.525 ( 4.092 2.362 -37.339) 37.637 3.555 ( 7.811 4.509 -33.259) 34.460 4.629 ( -1.994 -1.151 4.521) 5.074 4.941 ( 3.844 2.219 18.419) 18.946 5.372 ( 19.925 11.504 -9.175) 24.769 5.573 ( -4.180 -2.413 -4.054) 6.303 5.613 ( -4.519 -2.609 -1.426) 5.410 6.049 ( 7.001 4.042 3.370) 8.759 6.100 ( 12.631 7.292 -0.315) 14.588 6.425 ( 6.991 4.036 -4.619) 9.300 6.445 ( -3.200 -1.848 -0.572) 3.739 6.781 ( 16.331 9.429 -13.210) 23.024 6.880 ( -2.335 -1.348 9.303) 9.686 7.029 ( -2.532 -1.462 -22.987) 23.172 7.633 ( -2.160 -1.247 -8.235) 8.605 8.167 ( -9.266 -5.350 4.935) 11.783 8.181 ( -5.779 -3.337 2.271) 7.049 8.281 ( -10.211 -5.895 1.561) 11.894 8.356 ( -9.382 -5.417 -1.666) 10.961 8.764 ( -21.311 -12.304 1.682) 24.665 8.790 ( -4.793 -2.767 32.534) 33.002 9.141 ( -1.787 -1.032 -8.366) 8.617 9.432 ( -7.759 -4.480 0.116) 8.961 9.489 ( -0.136 -0.078 8.245) 8.247 9.579 ( -1.659 -0.958 4.502) 4.893 9.853 ( 5.163 2.981 3.707) 7.020 9.884 ( -7.215 -4.166 3.793) 9.154 10.000 ( 8.027 4.634 -5.396) 10.725 10.409 ( 6.433 3.714 12.341) 14.404 10.719 ( -8.908 -5.143 -11.378) 15.338 11.008 ( -1.143 -0.660 -7.366) 7.483 11.027 ( 1.308 0.755 -3.737) 4.031 11.117 ( 1.547 0.893 -11.444) 11.582 11.217 ( 2.365 1.365 -14.605) 14.858 11.248 ( 4.401 2.541 -6.991) 8.643 11.748 ( -7.589 -4.382 9.040) 12.590 11.785 ( -4.896 -2.827 9.529) 11.080 11.968 ( -8.283 -4.782 -0.809) 9.599 12.049 ( -3.454 -1.994 -2.540) 4.728 12.156 ( -4.990 -2.881 6.333) 8.562 12.309 ( 2.925 1.689 -1.517) 3.703 12.319 ( -1.082 -0.625 6.579) 6.697 12.469 ( 2.914 1.683 -3.008) 4.513 12.680 ( -10.856 -6.268 6.494) 14.118 12.776 ( -16.500 -9.526 4.548) 19.588 12.859 ( 0.630 0.364 5.856) 5.901 12.981 ( -3.043 -1.757 3.181) 4.740 13.224 ( -14.271 -8.239 -1.856) 16.583 13.312 ( -9.954 -5.747 -1.490) 11.590 13.405 ( -4.463 -2.577 -5.240) 7.350 13.548 ( -3.617 -2.088 -4.332) 6.017 13.719 ( 2.848 1.645 5.878) 6.736 13.749 ( 5.952 3.436 5.089) 8.552 13.914 ( 0.411 0.237 6.317) 6.335 14.029 ( 4.324 2.496 -2.562) 5.612 14.113 ( 8.082 4.666 2.739) 9.725 14.197 ( 2.568 1.482 1.160) 3.184 14.388 ( 5.963 3.443 -3.913) 7.919 14.399 ( 5.003 2.889 -2.773) 6.409 14.826 ( 11.163 6.445 -2.718) 13.173 14.832 ( -2.195 -1.268 1.421) 2.906 14.923 ( -0.072 -0.042 3.462) 3.463 15.129 ( 6.224 3.593 -1.523) 7.346 15.287 ( 3.641 2.102 -5.049) 6.570 15.582 ( 14.303 8.258 -20.391) 26.240 16.295 ( -2.912 -1.681 2.776) 4.360 16.359 ( -2.554 -1.474 4.874) 5.697 16.359 ( -1.548 -0.894 4.159) 4.527 16.457 ( 0.152 0.088 -1.408) 1.419 17.074 ( 0.270 0.156 5.458) 5.467 17.471 ( -1.890 -1.091 -4.543) 5.040 17.790 ( -8.267 -4.773 -8.713) 12.924 17.808 ( -27.397 -15.818 -1.972) 31.697 18.531 ( 8.006 4.622 0.826) 9.281 18.577 ( 6.144 3.547 -0.318) 7.101 18.771 ( 8.316 4.801 -1.879) 9.784 18.857 ( 11.998 6.927 -2.011) 14.000 19.228 ( 1.420 0.820 12.523) 12.630 19.709 ( 0.653 0.377 -3.293) 3.378 21.282 ( -20.508 -11.841 31.966) 39.782 22.072 ( -2.204 -1.273 -3.328) 4.190 22.139 ( 4.293 2.479 0.038) 4.957 22.157 ( 3.868 2.233 -0.268) 4.474 22.955 ( 11.351 6.553 -2.987) 13.443 22.997 ( 9.323 5.383 -5.525) 12.100 23.825 ( 0.275 0.159 5.325) 5.335 24.461 ( 11.912 6.877 -22.507) 26.377 ======================= Grid point 111 (17/42) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 33.536 19.362 22.069) 44.571 2.104 ( 39.830 22.996 4.441) 46.206 3.514 ( 52.074 30.065 32.788) 68.489 3.632 ( 5.726 3.306 -32.488) 33.154 3.820 ( 13.900 8.025 -27.161) 31.549 4.759 ( 9.876 5.702 12.059) 16.597 5.044 ( 3.734 2.156 12.533) 13.254 5.397 ( -5.127 -2.960 -1.041) 6.011 5.577 ( 1.744 1.007 1.169) 2.328 5.844 ( 7.727 4.461 -9.556) 13.074 6.157 ( 6.644 3.836 6.439) 10.016 6.232 ( -3.847 -2.221 1.280) 4.622 6.510 ( 11.373 6.566 -2.241) 13.322 6.681 ( 7.989 4.613 -3.258) 9.783 6.811 ( -0.999 -0.577 2.809) 3.036 7.034 ( 4.989 2.880 -23.114) 23.822 7.090 ( 4.250 2.454 -8.262) 9.610 7.501 ( -7.283 -4.205 -12.777) 15.296 7.784 ( -17.309 -9.993 6.356) 20.972 7.856 ( -18.452 -10.653 2.149) 21.415 8.135 ( -3.251 -1.877 1.438) 4.020 8.154 ( -5.977 -3.451 1.555) 7.075 8.427 ( -4.973 -2.871 1.657) 5.977 8.580 ( -11.382 -6.571 17.111) 21.576 9.014 ( -5.303 -3.062 -8.017) 10.088 9.242 ( -6.711 -3.874 -4.462) 8.942 9.457 ( -2.603 -1.503 9.553) 10.015 9.710 ( 8.558 4.941 5.824) 11.471 9.724 ( -6.419 -3.706 2.959) 7.981 9.993 ( 6.982 4.031 7.305) 10.879 10.113 ( 0.842 0.486 -2.733) 2.901 10.397 ( -10.291 -5.942 -0.435) 11.891 10.675 ( 6.134 3.542 2.377) 7.471 10.937 ( -5.225 -3.017 -7.328) 9.492 11.054 ( 0.184 0.106 -0.586) 0.623 11.108 ( -3.960 -2.287 -2.552) 5.237 11.242 ( -0.683 -0.394 -5.168) 5.228 11.285 ( -2.292 -1.323 -4.297) 5.047 11.548 ( -7.673 -4.430 1.752) 9.032 11.625 ( -9.704 -5.603 -3.556) 11.756 11.730 ( -9.568 -5.524 -1.462) 11.145 11.855 ( -9.912 -5.723 -1.832) 11.591 11.991 ( -7.804 -4.506 6.295) 10.992 12.299 ( -5.434 -3.137 4.755) 7.873 12.320 ( -3.334 -1.925 7.158) 8.127 12.394 ( -8.834 -5.100 3.949) 10.938 12.445 ( -2.329 -1.345 2.636) 3.765 12.547 ( 0.616 0.356 -8.519) 8.549 12.832 ( -2.715 -1.568 2.185) 3.821 12.902 ( -11.226 -6.481 -1.727) 13.077 12.996 ( 3.654 2.110 0.344) 4.234 13.187 ( -1.487 -0.859 -4.001) 4.354 13.291 ( -4.122 -2.380 -1.380) 4.956 13.434 ( -4.838 -2.793 -0.051) 5.587 13.759 ( 1.414 0.816 1.876) 2.487 13.814 ( -0.820 -0.473 1.395) 1.686 13.998 ( 4.484 2.589 2.153) 5.607 14.096 ( 0.456 0.263 -0.974) 1.107 14.263 ( 4.096 2.365 1.339) 4.916 14.287 ( 4.307 2.486 0.176) 4.976 14.475 ( 1.487 0.858 -0.568) 1.808 14.568 ( 7.457 4.305 -3.846) 9.431 14.835 ( 1.251 0.722 4.642) 4.862 14.908 ( -0.187 -0.108 4.562) 4.567 15.094 ( 10.958 6.327 -0.861) 12.683 15.191 ( -0.421 -0.243 -2.406) 2.455 15.497 ( 12.448 7.187 -1.815) 14.487 15.801 ( 5.510 3.181 -12.749) 14.248 16.202 ( -4.575 -2.641 5.126) 7.361 16.243 ( -2.995 -1.729 7.701) 8.442 16.402 ( 0.637 0.368 -0.159) 0.753 16.475 ( 1.588 0.917 -1.430) 2.326 17.004 ( -6.235 -3.600 4.013) 8.242 17.181 ( -21.611 -12.477 -0.253) 24.955 17.421 ( -3.276 -1.891 -2.896) 4.763 17.778 ( 4.285 2.474 -21.575) 22.135 18.770 ( 8.372 4.834 0.004) 9.667 18.781 ( 11.902 6.871 -0.146) 13.744 18.865 ( 2.147 1.240 3.362) 4.177 19.051 ( 4.957 2.862 -2.460) 6.230 19.314 ( 5.227 3.018 12.604) 13.975 19.745 ( 2.237 1.292 -2.604) 3.668 20.991 ( -7.337 -4.236 22.795) 24.319 22.019 ( -2.119 -1.223 -7.289) 7.689 22.280 ( 5.912 3.413 -0.066) 6.827 22.284 ( 7.256 4.189 -0.342) 8.386 23.176 ( 7.155 4.131 -0.540) 8.279 23.235 ( 10.524 6.076 -2.884) 12.489 23.846 ( 1.494 0.863 7.578) 7.772 24.555 ( -1.528 -0.882 -13.154) 13.272 ======================= Grid point 112 (18/42) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 34.245 19.772 14.203) 42.016 3.050 ( 37.571 21.692 -1.590) 43.413 3.848 ( 12.257 7.077 -20.032) 24.527 4.177 ( 16.156 9.327 -18.362) 26.176 4.628 ( 33.807 19.518 16.666) 42.445 4.950 ( 3.365 1.943 10.133) 10.853 5.121 ( 4.380 2.529 7.962) 9.432 5.271 ( -5.480 -3.164 -1.069) 6.418 5.641 ( 1.678 0.969 0.602) 2.028 5.803 ( -5.726 -3.306 -1.137) 6.709 6.128 ( -1.902 -1.098 0.554) 2.265 6.294 ( -2.882 -1.664 7.652) 8.345 6.616 ( -3.691 -2.131 0.147) 4.264 6.753 ( -4.521 -2.610 -1.551) 5.446 6.872 ( -0.523 -0.302 -9.902) 9.920 6.872 ( -3.463 -2.000 -0.877) 4.094 7.257 ( 6.739 3.891 -11.401) 13.803 7.335 ( -11.433 -6.601 -1.599) 13.299 7.541 ( 2.630 1.518 11.306) 11.706 7.605 ( -0.619 -0.358 -9.490) 9.517 8.087 ( 2.478 1.431 9.273) 9.704 8.098 ( -2.624 -1.515 -3.123) 4.351 8.404 ( 0.805 0.465 -1.216) 1.530 8.438 ( 3.568 2.060 -6.803) 7.953 8.945 ( 0.629 0.363 -6.900) 6.938 9.118 ( -4.321 -2.495 -12.490) 13.450 9.380 ( -3.070 -1.772 13.996) 14.438 9.551 ( -8.193 -4.730 2.024) 9.674 9.853 ( 2.172 1.254 3.833) 4.581 10.042 ( -6.768 -3.907 5.259) 9.419 10.187 ( -4.753 -2.744 5.890) 8.050 10.197 ( 9.235 5.332 5.296) 11.906 10.704 ( -3.811 -2.200 2.858) 5.247 10.758 ( -9.116 -5.263 1.145) 10.588 10.938 ( -8.787 -5.073 1.137) 10.210 10.970 ( -13.618 -7.862 -0.151) 15.725 11.133 ( -10.361 -5.982 -2.554) 12.233 11.153 ( -6.308 -3.642 1.108) 7.367 11.304 ( -6.559 -3.787 -4.390) 8.754 11.334 ( -7.951 -4.590 -5.502) 10.703 11.582 ( -4.359 -2.517 4.694) 6.882 11.816 ( 4.600 2.656 -7.818) 9.452 11.833 ( -4.347 -2.510 2.167) 5.467 12.021 ( -11.986 -6.920 2.095) 13.998 12.212 ( -4.012 -2.316 -3.597) 5.865 12.356 ( 0.166 0.096 6.173) 6.176 12.493 ( 3.925 2.266 4.536) 6.412 12.526 ( -2.518 -1.454 -9.565) 9.997 12.705 ( -4.862 -2.807 -3.554) 6.645 12.825 ( 1.536 0.887 -0.499) 1.842 13.075 ( 2.253 1.301 -0.582) 2.666 13.182 ( 0.240 0.139 -3.370) 3.381 13.219 ( -1.126 -0.650 1.425) 1.929 13.356 ( -1.302 -0.752 2.397) 2.829 13.761 ( -2.811 -1.623 0.283) 3.258 13.809 ( 2.859 1.651 -1.278) 3.540 14.024 ( -6.271 -3.620 -0.317) 7.248 14.089 ( 2.583 1.491 -0.775) 3.082 14.323 ( 1.431 0.826 0.340) 1.687 14.375 ( 2.717 1.569 -0.852) 3.251 14.497 ( 0.475 0.274 2.594) 2.652 14.696 ( 2.663 1.538 -2.714) 4.102 14.873 ( 2.056 1.187 5.694) 6.169 14.919 ( 1.357 0.783 2.379) 2.849 15.153 ( -2.166 -1.251 -1.304) 2.821 15.358 ( 10.398 6.004 -2.969) 12.369 15.791 ( 10.288 5.940 0.232) 11.881 15.902 ( 3.185 1.839 -4.472) 5.790 16.099 ( -3.314 -1.913 4.007) 5.541 16.202 ( -0.680 -0.393 7.228) 7.271 16.358 ( -4.028 -2.326 -2.294) 5.186 16.527 ( 2.329 1.344 -2.166) 3.453 16.802 ( -9.830 -5.676 2.854) 11.704 16.822 ( -7.592 -4.383 2.650) 9.158 17.331 ( -4.183 -2.415 -1.259) 4.991 17.895 ( 4.393 2.536 -22.887) 23.442 18.828 ( -0.562 -0.325 4.734) 4.778 19.035 ( 6.241 3.603 -3.675) 8.089 19.056 ( 10.675 6.163 2.194) 12.520 19.172 ( 7.866 4.542 -0.035) 9.083 19.444 ( 4.880 2.817 9.825) 11.326 19.799 ( 1.838 1.061 -2.371) 3.183 20.855 ( -4.363 -2.519 19.216) 19.866 21.967 ( -2.163 -1.249 -9.628) 9.947 22.422 ( 5.402 3.119 0.443) 6.253 22.467 ( 7.432 4.291 -0.893) 8.628 23.365 ( 8.431 4.868 0.196) 9.738 23.447 ( 7.269 4.197 -2.752) 8.833 23.882 ( 0.941 0.544 7.583) 7.661 24.453 ( -6.215 -3.588 -7.679) 10.510 ======================= Grid point 113 (19/42) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.681 ( 30.310 17.499 7.598) 35.814 3.881 ( 30.137 17.399 -3.316) 34.957 4.195 ( 15.517 8.958 -6.459) 19.046 4.552 ( 13.263 7.657 -9.060) 17.794 4.872 ( -8.881 -5.128 0.755) 10.283 4.926 ( -0.938 -0.542 -1.248) 1.653 5.096 ( -10.551 -6.092 3.276) 12.616 5.182 ( -6.624 -3.825 2.268) 7.978 5.667 ( -5.278 -3.047 0.543) 6.119 5.789 ( 9.901 5.716 -1.780) 11.571 6.050 ( -10.257 -5.922 5.106) 12.897 6.169 ( 0.725 0.419 0.809) 1.164 6.408 ( -6.671 -3.852 3.815) 8.596 6.601 ( -0.254 -0.147 6.810) 6.816 6.816 ( -2.659 -1.535 -12.331) 12.707 6.895 ( -8.916 -5.148 1.997) 10.487 7.206 ( 3.785 2.186 1.760) 4.712 7.310 ( 1.315 0.759 4.572) 4.817 7.683 ( 8.408 4.855 -4.526) 10.712 7.782 ( 9.798 5.657 5.024) 12.379 8.024 ( -1.496 -0.864 5.703) 5.959 8.268 ( 10.365 5.984 8.631) 14.757 8.487 ( 2.052 1.185 -19.199) 19.344 8.533 ( 3.651 2.108 -10.173) 11.012 8.992 ( -5.800 -3.348 -15.412) 16.804 9.038 ( 3.234 1.867 -4.597) 5.923 9.297 ( -13.280 -7.667 4.027) 15.854 9.444 ( 12.180 7.032 9.470) 16.955 9.829 ( -2.566 -1.482 2.282) 3.740 9.841 ( -7.368 -4.254 5.872) 10.338 10.213 ( 5.824 3.363 12.807) 14.466 10.377 ( 1.905 1.100 -2.031) 2.994 10.386 ( -22.251 -12.847 -1.322) 25.727 10.459 ( -13.534 -7.814 -0.870) 15.652 10.671 ( -2.129 -1.229 3.461) 4.245 10.750 ( -5.717 -3.301 3.698) 7.567 10.923 ( -5.214 -3.011 4.942) 7.790 11.079 ( -2.858 -1.650 1.372) 3.574 11.180 ( -4.659 -2.690 -4.671) 7.125 11.227 ( -2.620 -1.513 -0.944) 3.169 11.500 ( -2.175 -1.256 8.304) 8.675 11.755 ( -2.716 -1.568 1.866) 3.649 11.760 ( -7.952 -4.591 -1.770) 9.351 11.971 ( 5.700 3.291 -9.513) 11.568 12.132 ( -2.512 -1.450 -7.546) 8.084 12.362 ( 0.224 0.130 4.331) 4.339 12.445 ( -3.164 -1.827 -0.982) 3.783 12.617 ( 6.054 3.496 -1.254) 7.103 12.651 ( -0.588 -0.340 -11.214) 11.234 12.843 ( -1.058 -0.611 -3.656) 3.855 13.100 ( 0.510 0.295 1.450) 1.565 13.180 ( -0.351 -0.202 -1.641) 1.691 13.270 ( 5.021 2.899 3.167) 6.606 13.358 ( 0.824 0.476 4.218) 4.324 13.667 ( -6.165 -3.559 -0.494) 7.136 13.852 ( -5.648 -3.261 3.944) 7.622 13.895 ( 4.070 2.350 -2.636) 5.388 14.100 ( -1.784 -1.030 -4.176) 4.656 14.365 ( 2.239 1.293 0.208) 2.594 14.423 ( 1.620 0.935 -1.420) 2.348 14.502 ( -0.240 -0.139 3.442) 3.453 14.710 ( -0.747 -0.431 -0.850) 1.211 14.924 ( 1.737 1.003 2.487) 3.194 14.959 ( 1.429 0.825 -1.477) 2.215 15.106 ( -1.450 -0.837 3.131) 3.551 15.569 ( 6.487 3.745 -7.534) 10.624 15.921 ( -1.768 -1.021 3.973) 4.467 15.947 ( 2.715 1.567 1.274) 3.384 16.105 ( 4.202 2.426 1.167) 4.990 16.202 ( 0.826 0.477 7.642) 7.701 16.277 ( -1.603 -0.925 -1.340) 2.285 16.552 ( -10.481 -6.051 4.011) 12.750 16.589 ( 2.895 1.671 -3.995) 5.209 16.739 ( -1.356 -0.783 1.643) 2.269 17.232 ( -3.528 -2.037 1.175) 4.240 17.973 ( 2.004 1.157 -22.617) 22.735 18.814 ( -0.424 -0.245 6.276) 6.295 19.096 ( 0.872 0.503 -5.183) 5.280 19.295 ( 8.538 4.929 2.960) 10.293 19.405 ( 8.906 5.142 1.482) 10.390 19.521 ( 1.108 0.640 6.458) 6.584 19.817 ( -0.461 -0.266 -3.191) 3.235 20.775 ( -2.221 -1.282 18.519) 18.695 21.921 ( -1.509 -0.871 -10.581) 10.724 22.527 ( 3.046 1.758 1.053) 3.671 22.619 ( 4.668 2.695 -1.396) 5.567 23.571 ( 8.063 4.655 -0.118) 9.311 23.600 ( 5.409 3.123 -1.247) 6.369 23.876 ( -1.445 -0.834 5.490) 5.738 24.283 ( -7.134 -4.119 -4.967) 9.620 ======================= Grid point 114 (20/42) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.176 ( -0.000 -0.000 1.654) 1.654 4.368 ( 0.000 0.000 -1.300) 1.300 4.484 ( -0.000 -0.000 6.801) 6.801 4.643 ( -0.000 -0.000 -4.163) 4.163 4.655 ( 0.000 0.000 -5.434) 5.434 4.848 ( 0.000 0.000 3.796) 3.796 4.939 ( 0.000 0.000 -6.739) 6.739 5.024 ( 0.000 0.000 -0.351) 0.351 5.587 ( 0.000 0.000 -0.422) 0.422 5.833 ( 0.000 0.000 -12.403) 12.403 5.934 ( 0.000 0.000 4.614) 4.614 6.147 ( 0.000 0.000 -0.631) 0.631 6.492 ( 0.000 0.000 19.416) 19.416 6.591 ( 0.000 0.000 10.911) 10.911 6.687 ( 0.000 0.000 -5.566) 5.566 6.780 ( 0.000 0.000 -14.546) 14.546 7.265 ( 0.000 0.000 2.217) 2.217 7.335 ( 0.000 0.000 6.601) 6.601 7.871 ( 0.000 0.000 -3.532) 3.532 7.885 ( 0.000 0.000 4.794) 4.794 8.030 ( 0.000 0.000 6.065) 6.065 8.446 ( 0.000 0.000 8.653) 8.653 8.504 ( 0.000 0.000 -15.889) 15.889 8.577 ( 0.000 0.000 -9.355) 9.355 8.978 ( 0.000 0.000 11.181) 11.181 8.980 ( -0.000 -0.000 -19.322) 19.322 9.064 ( 0.000 0.000 1.123) 1.123 9.698 ( -0.000 -0.000 -0.488) 0.488 9.780 ( 0.000 0.000 7.085) 7.085 9.900 ( -0.000 -0.000 -3.806) 3.806 10.035 ( 0.000 0.000 -4.241) 4.241 10.064 ( 0.000 0.000 -2.050) 2.050 10.338 ( 0.000 0.000 18.491) 18.491 10.425 ( 0.000 0.000 -5.056) 5.056 10.647 ( 0.000 0.000 -2.088) 2.088 10.695 ( 0.000 0.000 6.462) 6.462 10.864 ( 0.000 0.000 5.035) 5.035 11.036 ( 0.000 0.000 5.253) 5.253 11.124 ( 0.000 0.000 2.826) 2.826 11.178 ( 0.000 0.000 -0.462) 0.462 11.476 ( 0.000 0.000 7.319) 7.319 11.660 ( 0.000 0.000 -5.710) 5.710 11.714 ( 0.000 0.000 2.080) 2.080 12.050 ( 0.000 0.000 -8.995) 8.995 12.100 ( 0.000 0.000 -8.450) 8.450 12.361 ( 0.000 0.000 -3.153) 3.153 12.407 ( 0.000 0.000 9.931) 9.931 12.646 ( 0.000 0.000 -15.034) 15.034 12.746 ( 0.000 0.000 -7.504) 7.504 12.778 ( 0.000 0.000 -2.536) 2.536 13.109 ( 0.000 0.000 2.925) 2.925 13.174 ( 0.000 0.000 -0.967) 0.967 13.371 ( 0.000 0.000 5.258) 5.258 13.401 ( 0.000 0.000 6.471) 6.471 13.507 ( -0.000 -0.000 -2.029) 2.029 13.793 ( 0.000 0.000 5.491) 5.491 13.974 ( 0.000 0.000 -1.019) 1.019 14.045 ( -0.000 -0.000 -7.355) 7.355 14.402 ( 0.000 0.000 -0.086) 0.086 14.454 ( 0.000 0.000 -2.045) 2.045 14.488 ( 0.000 0.000 3.579) 3.579 14.694 ( 0.000 0.000 -0.813) 0.813 14.945 ( 0.000 0.000 -0.745) 0.745 14.977 ( 0.000 0.000 -2.497) 2.497 15.089 ( 0.000 0.000 6.911) 6.911 15.651 ( 0.000 0.000 -10.692) 10.692 15.887 ( 0.000 0.000 5.731) 5.731 15.969 ( 0.000 0.000 1.047) 1.047 16.172 ( 0.000 0.000 4.380) 4.380 16.264 ( 0.000 0.000 -0.013) 0.013 16.313 ( -0.000 -0.000 2.056) 2.056 16.315 ( 0.000 0.000 8.914) 8.914 16.641 ( -0.000 -0.000 -4.272) 4.272 16.715 ( 0.000 0.000 -0.460) 0.460 17.185 ( 0.000 0.000 2.848) 2.848 17.996 ( 0.000 0.000 -22.424) 22.424 18.809 ( 0.000 0.000 6.626) 6.626 19.106 ( 0.000 0.000 -5.317) 5.317 19.426 ( 0.000 0.000 4.603) 4.603 19.511 ( 0.000 0.000 3.775) 3.775 19.529 ( 0.000 0.000 2.640) 2.640 19.799 ( 0.000 0.000 -4.566) 4.566 20.748 ( 0.000 0.000 18.547) 18.547 21.901 ( 0.000 0.000 -10.779) 10.779 22.564 ( 0.000 0.000 1.328) 1.328 22.677 ( 0.000 0.000 -1.612) 1.612 23.681 ( 0.000 0.000 -0.142) 0.142 23.692 ( 0.000 0.000 -0.396) 0.396 23.842 ( -0.000 -0.000 4.098) 4.098 24.174 ( 0.000 0.000 -4.048) 4.048 ======================= Grid point 121 (21/42) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 17.859 30.933 25.219) 43.724 1.855 ( 22.809 39.506 8.313) 46.369 3.179 ( 31.224 54.081 36.141) 72.152 3.613 ( 3.151 5.458 -34.631) 35.200 3.717 ( 6.447 11.166 -29.230) 31.947 4.705 ( 5.198 9.003 11.285) 15.343 5.000 ( 2.411 4.177 13.833) 14.649 5.425 ( -3.380 -5.854 -1.668) 6.962 5.592 ( -0.591 -1.023 0.325) 1.225 5.775 ( 10.015 17.347 -8.749) 21.858 6.091 ( 0.748 1.296 6.074) 6.256 6.307 ( 2.208 3.825 0.594) 4.456 6.456 ( 4.696 8.133 -3.573) 10.048 6.563 ( 5.887 10.196 -5.556) 13.018 6.823 ( -2.356 -4.081 7.474) 8.836 6.980 ( 1.256 2.176 -18.586) 18.755 7.095 ( 7.530 13.043 -16.040) 22.002 7.528 ( -6.078 -10.528 -9.084) 15.176 7.855 ( -12.044 -20.861 3.312) 24.315 8.027 ( -6.829 -11.828 3.443) 14.085 8.170 ( -3.022 -5.234 -2.753) 6.641 8.240 ( -2.801 -4.851 2.312) 6.060 8.387 ( -9.301 -16.109 7.732) 20.144 8.678 ( -4.935 -8.547 19.516) 21.870 9.020 ( -5.298 -9.176 -10.163) 14.682 9.304 ( -3.726 -6.454 -3.665) 8.305 9.511 ( -1.102 -1.909 7.502) 7.819 9.616 ( 5.379 9.317 8.434) 13.670 9.793 ( -1.774 -3.072 5.329) 6.402 9.948 ( 1.917 3.320 7.122) 8.088 10.092 ( 1.640 2.841 -5.711) 6.586 10.538 ( -5.994 -10.382 -4.624) 12.849 10.571 ( 5.714 9.898 5.495) 12.681 10.991 ( -1.483 -2.568 -5.786) 6.502 11.017 ( -1.062 -1.840 -5.889) 6.260 11.118 ( -0.946 -1.639 -3.874) 4.311 11.243 ( -0.377 -0.652 -8.531) 8.564 11.288 ( -0.555 -0.962 -3.319) 3.500 11.602 ( -5.979 -10.357 3.242) 12.391 11.654 ( -3.346 -5.796 0.072) 6.693 11.753 ( -6.931 -12.005 -1.808) 13.979 11.974 ( -2.634 -4.562 1.708) 5.538 12.119 ( -2.615 -4.529 4.931) 7.187 12.273 ( 0.184 0.318 5.051) 5.065 12.357 ( -4.379 -7.585 1.695) 8.921 12.411 ( -1.587 -2.748 0.603) 3.230 12.495 ( -4.187 -7.252 3.262) 8.987 12.633 ( -2.609 -4.519 0.989) 5.311 12.768 ( -3.634 -6.294 2.794) 7.786 12.907 ( -3.711 -6.428 0.358) 7.431 13.046 ( -2.730 -4.728 -2.013) 5.819 13.225 ( -1.388 -2.404 -2.900) 4.015 13.274 ( -2.990 -5.179 -2.165) 6.360 13.481 ( -2.378 -4.119 -3.491) 5.900 13.737 ( -3.326 -5.762 4.581) 8.077 13.812 ( 1.114 1.929 1.223) 2.542 13.939 ( 4.332 7.503 3.132) 9.212 14.118 ( 1.774 3.073 -1.378) 3.807 14.238 ( 1.652 2.862 1.977) 3.851 14.300 ( 4.873 8.440 2.352) 10.026 14.478 ( 1.984 3.436 -2.013) 4.449 14.484 ( 3.727 6.456 -4.254) 8.583 14.812 ( 0.542 0.939 4.644) 4.769 14.909 ( -0.427 -0.739 4.015) 4.105 15.005 ( 5.079 8.797 -0.548) 10.173 15.284 ( 0.057 0.099 -5.576) 5.577 15.335 ( 7.138 12.363 -0.093) 14.276 15.768 ( 4.119 7.134 -14.626) 16.786 16.237 ( -2.009 -3.480 3.991) 5.663 16.258 ( -2.859 -4.952 9.005) 10.667 16.406 ( 1.767 3.061 0.880) 3.642 16.445 ( -0.470 -0.815 -1.446) 1.725 17.119 ( 1.243 2.152 3.593) 4.369 17.338 ( -14.154 -24.515 -0.366) 28.309 17.433 ( -1.474 -2.552 -3.917) 4.902 17.704 ( -1.070 -1.854 -20.015) 20.129 18.678 ( 5.548 9.609 1.018) 11.143 18.747 ( 6.344 10.989 -0.676) 12.707 18.837 ( 0.617 1.069 2.496) 2.784 19.017 ( 3.589 6.216 -2.664) 7.656 19.277 ( 2.322 4.021 12.940) 13.748 19.732 ( 1.156 2.001 -2.818) 3.644 21.042 ( -5.214 -9.031 24.579) 26.699 22.034 ( -1.310 -2.270 -6.664) 7.160 22.239 ( 4.220 7.310 0.233) 8.444 22.260 ( 4.026 6.974 -0.264) 8.057 23.120 ( 3.863 6.691 -1.170) 7.814 23.167 ( 6.270 10.860 -2.837) 12.857 23.837 ( 0.652 1.129 7.069) 7.188 24.556 ( 0.283 0.490 -15.388) 15.399 ======================= Grid point 122 (22/42) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 27.038 25.837 17.061) 41.106 2.734 ( 29.248 34.687 0.884) 45.381 3.768 ( 7.081 10.087 -24.356) 27.297 4.009 ( 12.539 10.836 -22.183) 27.691 4.310 ( 32.971 40.332 23.071) 56.974 4.924 ( 5.583 8.663 11.524) 15.460 5.092 ( 2.821 3.133 7.352) 8.475 5.322 ( -3.243 -3.257 -1.682) 4.894 5.585 ( 1.718 -1.570 0.603) 2.404 5.878 ( -5.596 -2.295 -2.239) 6.450 6.098 ( 0.413 -5.017 9.727) 10.953 6.382 ( -0.259 8.538 0.319) 8.548 6.632 ( -4.094 -4.621 0.372) 6.184 6.717 ( 6.972 8.027 -3.326) 11.140 6.821 ( 4.553 0.365 -6.929) 8.299 7.020 ( -5.039 -1.534 -8.680) 10.153 7.197 ( -2.339 -0.257 -11.996) 12.225 7.356 ( 1.699 -3.240 -4.143) 5.527 7.476 ( -3.965 -13.999 -2.365) 14.741 7.729 ( -11.463 -4.160 3.441) 12.671 8.006 ( -1.579 -8.971 9.393) 13.085 8.179 ( -3.239 3.052 -0.702) 4.505 8.303 ( 5.350 -4.528 -0.241) 7.013 8.483 ( -4.569 -2.026 -0.859) 5.071 8.878 ( -0.183 -6.906 -7.391) 10.117 9.199 ( -3.872 -1.062 -13.349) 13.940 9.462 ( -3.621 1.410 13.215) 13.774 9.708 ( -6.837 3.010 5.057) 9.021 9.823 ( 6.117 5.166 6.012) 10.012 10.022 ( 3.810 -1.021 9.944) 10.698 10.078 ( -2.424 -5.413 0.873) 5.994 10.325 ( -7.092 -2.270 2.867) 7.979 10.692 ( -2.260 -6.208 1.868) 6.866 10.856 ( -4.937 -1.168 -1.297) 5.236 10.955 ( -2.272 -7.446 -1.857) 8.003 11.044 ( -3.435 -8.577 -4.248) 10.169 11.111 ( -8.275 -9.495 2.056) 12.762 11.190 ( -0.089 -8.977 0.259) 8.981 11.377 ( -5.339 -1.571 -2.512) 6.106 11.589 ( -6.104 1.080 -5.835) 8.513 11.635 ( -1.070 -0.954 -3.498) 3.780 11.829 ( -8.569 -1.058 0.398) 8.643 11.940 ( -10.645 -2.538 1.477) 11.043 12.132 ( -6.155 -7.616 1.545) 9.914 12.254 ( -4.861 -5.363 -1.737) 7.443 12.317 ( 0.150 -4.584 5.445) 7.119 12.442 ( 2.749 -1.734 4.095) 5.228 12.551 ( -2.143 -0.347 -5.819) 6.211 12.686 ( -3.035 -7.042 1.439) 7.802 12.796 ( 3.172 -4.881 0.358) 5.832 13.021 ( 0.467 0.388 -3.549) 3.601 13.196 ( -1.538 -0.366 -2.338) 2.823 13.224 ( 0.468 -0.875 -1.465) 1.770 13.377 ( -3.637 -3.041 0.045) 4.741 13.655 ( 3.859 -8.838 1.211) 9.720 13.795 ( -2.394 -3.101 -2.360) 4.573 14.060 ( 1.907 3.833 1.577) 4.563 14.125 ( -3.661 0.998 -0.186) 3.799 14.300 ( 1.339 3.318 1.970) 4.085 14.424 ( 2.002 4.431 2.465) 5.452 14.542 ( -0.845 6.721 -2.070) 7.083 14.641 ( 5.820 3.581 -3.523) 7.688 14.849 ( 1.984 1.568 7.390) 7.811 14.900 ( 0.809 -0.466 4.160) 4.264 15.185 ( 2.922 4.551 -1.630) 5.649 15.268 ( 1.797 2.970 -4.749) 5.883 15.640 ( 12.109 8.082 0.397) 14.564 15.876 ( 2.391 3.122 -7.374) 8.357 16.148 ( -3.970 -2.161 5.672) 7.252 16.190 ( -0.329 -3.000 7.164) 7.774 16.409 ( -2.500 -0.670 -1.441) 2.963 16.490 ( 3.252 2.508 -1.598) 4.406 16.903 ( -10.178 -12.257 2.937) 16.200 17.062 ( -12.894 6.270 1.455) 14.411 17.366 ( -2.893 -2.935 -2.851) 5.011 17.738 ( 8.375 -6.055 -22.834) 25.064 18.830 ( -0.335 -0.730 5.295) 5.355 18.908 ( 8.765 7.091 1.606) 11.388 19.008 ( 8.104 11.602 -1.243) 14.207 19.110 ( 3.000 2.377 -2.858) 4.777 19.383 ( 4.421 3.337 10.691) 12.040 19.785 ( 1.682 2.259 -2.372) 3.683 20.894 ( -3.824 -4.588 19.802) 20.683 21.982 ( -1.693 -2.377 -9.168) 9.621 22.423 ( 4.450 10.265 0.063) 11.188 22.431 ( 5.412 9.537 -0.208) 10.968 23.269 ( 6.368 4.590 0.161) 7.851 23.372 ( 6.169 6.208 -3.194) 9.317 23.867 ( 1.056 0.803 7.914) 8.024 24.492 ( -3.791 -5.376 -9.101) 11.229 ======================= Grid point 123 (23/42) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 30.078 20.552 10.931) 38.033 3.588 ( 27.691 27.738 -1.168) 39.212 4.071 ( 11.508 14.245 -12.883) 22.390 4.370 ( 15.057 8.934 -14.134) 22.501 4.921 ( 1.922 4.573 5.129) 7.135 5.005 ( -4.679 3.326 4.434) 7.254 5.192 ( -2.087 -0.395 2.568) 3.333 5.240 ( -1.105 1.728 3.673) 4.207 5.627 ( 3.530 -3.239 0.986) 4.892 5.725 ( -0.231 0.182 -0.386) 0.486 5.986 ( -2.513 -12.997 8.145) 15.542 6.307 ( -9.264 -0.349 2.380) 9.571 6.537 ( 0.351 -4.731 3.216) 5.732 6.595 ( -12.438 -6.709 -2.308) 14.319 6.841 ( -2.606 -0.420 -10.405) 10.735 6.992 ( -2.952 3.751 3.714) 6.048 7.148 ( 1.982 -3.395 -0.001) 3.931 7.350 ( -2.362 2.075 -0.974) 3.292 7.509 ( 13.019 -1.617 -5.402) 14.188 7.698 ( 5.161 7.333 3.211) 9.525 8.023 ( 6.145 -2.041 2.860) 7.079 8.109 ( 0.429 -1.771 10.986) 11.136 8.338 ( 5.403 -6.251 -8.426) 11.800 8.588 ( 3.142 9.882 -18.441) 21.156 8.870 ( 5.329 -5.345 -7.835) 10.879 9.104 ( -5.030 -0.781 -17.099) 17.841 9.461 ( -1.657 8.557 13.889) 16.397 9.549 ( -14.121 1.336 6.733) 15.701 9.865 ( -4.138 -7.007 5.446) 9.792 9.930 ( -4.983 1.269 4.272) 6.685 10.094 ( 7.082 0.087 9.602) 11.931 10.263 ( 1.605 -2.890 5.838) 6.709 10.512 ( -8.356 -18.465 2.819) 20.462 10.605 ( -6.693 -5.941 3.722) 9.692 10.746 ( -8.677 -4.389 -1.852) 9.899 10.899 ( -5.084 1.606 -1.296) 5.487 11.032 ( -3.691 -0.391 1.972) 4.203 11.139 ( 1.821 -4.250 -2.329) 5.178 11.252 ( -13.168 3.842 -1.818) 13.837 11.396 ( -13.513 3.810 -0.640) 14.055 11.549 ( -5.645 -1.113 4.300) 7.183 11.722 ( -1.831 -7.125 1.080) 7.435 11.850 ( 1.498 -0.858 -6.798) 7.014 11.927 ( -7.436 -2.394 -2.456) 8.189 12.160 ( -1.174 -2.308 -5.103) 5.723 12.310 ( 3.599 -5.481 2.317) 6.954 12.447 ( -0.711 -4.125 -1.217) 4.359 12.533 ( 2.151 -1.407 -5.223) 5.821 12.614 ( 2.649 -2.846 -0.573) 3.930 12.825 ( 3.186 -3.564 -1.451) 4.996 13.052 ( 3.347 -2.000 -1.029) 4.032 13.158 ( -1.466 -0.110 -1.936) 2.431 13.232 ( 0.297 0.503 0.274) 0.646 13.329 ( 0.997 -2.032 3.374) 4.063 13.659 ( 2.824 -11.032 -2.609) 11.683 13.701 ( 2.628 -6.961 -2.330) 7.797 14.014 ( -7.037 -0.330 1.695) 7.246 14.097 ( -2.211 2.832 -0.883) 3.700 14.354 ( 1.160 3.351 2.658) 4.432 14.466 ( 0.354 -0.378 4.180) 4.212 14.599 ( -2.632 11.332 -2.456) 11.890 14.728 ( -0.073 2.180 -1.692) 2.761 14.893 ( 1.894 0.500 2.497) 3.174 14.964 ( 2.707 4.704 4.849) 7.278 15.174 ( -3.451 3.161 -2.939) 5.527 15.445 ( 9.468 2.230 -4.333) 10.649 15.890 ( 3.826 3.079 -0.890) 4.991 15.938 ( 5.072 1.986 -0.605) 5.481 16.070 ( -1.923 -0.280 4.895) 5.267 16.169 ( 0.798 -1.987 7.871) 8.157 16.326 ( -4.371 -1.307 -0.512) 4.591 16.578 ( 2.602 4.095 -4.272) 6.464 16.733 ( -1.940 -3.224 3.842) 5.378 16.828 ( -17.559 4.980 1.301) 18.298 17.270 ( -3.797 -3.247 -1.189) 5.136 17.827 ( 9.279 -8.912 -21.472) 25.031 18.813 ( -0.127 -1.061 6.810) 6.894 19.082 ( 2.230 2.730 -2.408) 4.269 19.195 ( 7.467 4.888 0.151) 8.925 19.305 ( 9.128 8.086 -0.098) 12.194 19.480 ( 3.447 0.645 7.277) 8.078 19.821 ( 0.231 0.689 -2.655) 2.753 20.799 ( -2.508 -2.515 18.439) 18.778 21.928 ( -1.341 -2.309 -10.345) 10.684 22.585 ( 0.405 11.997 0.456) 12.012 22.631 ( 3.322 11.521 -0.700) 12.011 23.446 ( 8.754 2.581 0.256) 9.130 23.531 ( 6.067 3.818 -2.263) 7.517 23.870 ( -0.333 -2.168 6.334) 6.703 24.329 ( -5.665 -8.451 -5.683) 11.654 ======================= Grid point 124 (24/42) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.006 ( 23.603 13.826 4.964) 27.800 4.255 ( 17.552 15.641 0.411) 23.514 4.431 ( 10.082 13.085 -2.434) 16.698 4.641 ( -0.229 -1.621 -3.804) 4.141 4.788 ( -8.107 -0.890 -3.793) 8.995 4.880 ( -3.480 -3.037 -1.282) 4.794 5.033 ( -13.376 -1.442 0.788) 13.477 5.093 ( -6.279 -1.952 2.381) 6.993 5.520 ( -0.215 -8.840 -0.488) 8.856 5.821 ( 2.753 -11.891 4.161) 12.895 5.893 ( 0.722 2.733 -10.400) 10.777 6.129 ( -3.655 -6.735 -1.814) 7.875 6.465 ( 2.197 4.653 10.765) 11.931 6.549 ( 1.925 -2.740 10.162) 10.700 6.713 ( -6.131 -6.400 -2.385) 9.178 6.892 ( -5.683 4.323 -9.556) 11.929 7.241 ( 2.848 1.211 4.984) 5.867 7.363 ( -0.758 3.766 2.294) 4.475 7.731 ( 9.809 -1.060 -5.755) 11.422 7.930 ( 7.038 6.038 3.571) 9.937 8.006 ( -1.449 0.945 4.026) 4.382 8.267 ( 10.182 -4.515 6.019) 12.660 8.438 ( 12.027 -0.662 -7.887) 14.398 8.614 ( -5.156 -1.739 -11.616) 12.827 8.887 ( 4.529 -3.580 -9.219) 10.878 9.047 ( -2.628 -0.237 -5.634) 6.222 9.151 ( -15.087 -8.229 6.610) 18.412 9.652 ( -2.297 -4.397 0.534) 4.989 9.748 ( 5.787 9.080 5.841) 12.249 9.904 ( -2.919 7.139 2.055) 7.982 10.117 ( -5.797 -5.143 -3.243) 8.400 10.222 ( -5.157 -0.861 3.766) 6.444 10.337 ( 5.667 2.400 5.125) 8.009 10.488 ( -7.649 3.776 9.475) 12.749 10.615 ( -3.712 0.418 1.193) 3.921 10.868 ( -2.836 7.294 -0.834) 7.871 10.941 ( -6.325 3.533 3.830) 8.195 11.070 ( -6.959 0.961 1.261) 7.137 11.128 ( 0.501 -5.895 0.597) 5.946 11.216 ( -7.468 3.541 1.840) 8.468 11.484 ( -1.644 0.257 3.873) 4.215 11.642 ( 2.017 -5.838 0.405) 6.190 11.717 ( -5.914 -2.496 -1.559) 6.606 11.959 ( 4.376 -2.691 -9.453) 10.759 12.144 ( -0.117 0.908 -6.280) 6.346 12.294 ( 2.705 -7.844 -2.326) 8.617 12.412 ( -0.215 0.158 5.812) 5.818 12.559 ( 3.420 -4.561 -11.837) 13.138 12.685 ( 6.161 -2.899 -2.903) 7.402 12.821 ( -1.099 -0.113 -6.861) 6.950 13.067 ( 3.672 -7.069 3.137) 8.561 13.159 ( 0.194 0.944 -1.364) 1.670 13.272 ( 4.743 -1.045 3.062) 5.741 13.333 ( 1.563 -2.968 4.724) 5.794 13.505 ( -3.325 -8.690 -1.156) 9.376 13.766 ( 10.942 -10.938 -4.613) 16.145 13.897 ( -5.584 0.643 3.126) 6.432 14.069 ( -4.195 4.780 -1.623) 6.563 14.414 ( 1.758 2.304 3.403) 4.470 14.453 ( -0.441 -1.509 3.995) 4.293 14.663 ( -5.653 13.822 -0.813) 14.955 14.713 ( -1.993 0.982 -0.857) 2.381 14.918 ( 0.849 -0.779 0.027) 1.152 15.046 ( -0.851 6.183 -2.209) 6.621 15.164 ( -2.977 5.654 1.830) 6.647 15.608 ( 5.558 1.281 -7.218) 9.200 15.854 ( -2.243 -3.062 3.951) 5.479 15.996 ( 0.209 -0.749 0.183) 0.799 16.131 ( 2.829 -1.828 4.542) 5.654 16.225 ( 3.947 4.011 3.638) 6.701 16.278 ( 1.832 3.355 3.371) 5.097 16.522 ( -16.276 0.942 2.961) 16.570 16.664 ( 2.549 2.072 -2.544) 4.155 16.723 ( -2.417 2.424 -0.576) 3.471 17.184 ( -1.523 -2.632 1.046) 3.215 17.877 ( 7.258 -10.295 -20.716) 24.244 18.805 ( 0.175 -0.660 7.185) 7.218 19.110 ( -0.176 1.204 -4.219) 4.391 19.376 ( 6.626 2.631 2.951) 7.716 19.468 ( 0.956 -1.052 3.383) 3.669 19.538 ( 3.117 3.031 1.659) 4.653 19.806 ( -1.177 -0.951 -3.975) 4.253 20.751 ( -0.817 -0.874 18.395) 18.434 21.892 ( -0.167 -1.571 -10.684) 10.800 22.677 ( -4.231 11.784 0.911) 12.554 22.763 ( -2.415 11.071 -1.193) 11.393 23.613 ( 6.601 0.290 0.401) 6.620 23.676 ( 4.723 3.244 -1.170) 5.848 23.814 ( -0.655 -5.437 4.272) 6.945 24.146 ( -2.532 -9.054 -4.030) 10.229 ======================= Grid point 132 (25/42) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 17.126 29.663 13.046) 36.653 3.478 ( 20.165 34.927 -0.119) 40.331 4.053 ( 9.747 16.883 -14.638) 24.379 4.261 ( 7.616 13.192 -16.418) 22.396 4.928 ( 6.031 10.446 7.964) 14.454 5.110 ( 4.504 7.802 9.628) 13.185 5.152 ( 0.831 1.440 1.509) 2.245 5.264 ( -1.253 -2.170 -1.607) 2.977 5.569 ( 1.452 2.515 1.145) 3.122 5.755 ( -3.696 -6.402 -0.155) 7.394 5.935 ( -7.059 -12.227 11.601) 18.273 6.412 ( -6.717 -11.635 3.314) 13.837 6.470 ( 0.413 0.715 3.286) 3.388 6.675 ( -6.046 -10.472 -5.409) 13.247 6.923 ( 1.772 3.070 -10.108) 10.712 7.079 ( 3.045 5.274 7.250) 9.469 7.085 ( -4.257 -7.374 -7.788) 11.539 7.267 ( 1.462 2.533 -0.569) 2.979 7.428 ( 1.374 2.379 -8.007) 8.466 7.716 ( 2.595 4.495 1.144) 5.315 7.892 ( 0.296 0.513 13.336) 13.349 8.150 ( -3.383 -5.860 8.366) 10.760 8.225 ( -0.697 -1.208 -9.216) 9.320 8.615 ( 5.909 10.234 -23.011) 25.868 8.784 ( -1.585 -2.746 -5.447) 6.303 9.153 ( -1.593 -2.758 -20.062) 20.314 9.536 ( 3.716 6.437 16.485) 18.083 9.715 ( -11.825 -20.482 8.683) 25.194 9.865 ( 5.242 9.080 8.012) 13.195 9.964 ( 0.629 1.089 1.477) 1.939 10.020 ( 1.847 3.199 12.965) 13.481 10.303 ( -0.210 -0.364 4.734) 4.753 10.439 ( -9.188 -15.914 3.575) 18.720 10.620 ( -7.683 -13.308 3.544) 15.770 10.803 ( -3.702 -6.411 -1.316) 7.519 10.973 ( -0.091 -0.158 -7.865) 7.867 11.006 ( -3.668 -6.353 8.974) 11.590 11.100 ( 1.558 2.698 -5.919) 6.688 11.417 ( 1.480 2.563 1.991) 3.567 11.584 ( -2.696 -4.669 -8.063) 9.700 11.604 ( -0.898 -1.556 2.618) 3.175 11.743 ( -4.080 -7.066 2.110) 8.428 11.887 ( -1.422 -2.463 -6.788) 7.360 11.983 ( -4.109 -7.117 -2.141) 8.493 12.140 ( -2.712 -4.698 -5.836) 7.968 12.201 ( -2.510 -4.347 4.042) 6.445 12.390 ( -1.579 -2.736 1.718) 3.596 12.482 ( -1.781 -3.086 -1.943) 4.058 12.657 ( -2.446 -4.236 -2.147) 5.342 12.668 ( -0.743 -1.287 0.854) 1.714 13.034 ( 0.261 0.452 -4.308) 4.340 13.211 ( -0.242 -0.419 -3.901) 3.931 13.211 ( 0.686 1.188 1.096) 1.756 13.316 ( -1.293 -2.240 0.741) 2.691 13.488 ( -3.331 -5.769 0.688) 6.697 13.676 ( -4.230 -7.326 -4.061) 9.383 14.093 ( -1.437 -2.489 0.907) 3.014 14.139 ( 0.814 1.409 0.602) 1.735 14.377 ( 1.878 3.252 3.557) 5.172 14.449 ( -0.079 -0.136 5.173) 5.175 14.714 ( 4.295 7.440 -2.656) 8.992 14.720 ( 2.451 4.245 -3.552) 6.054 14.883 ( -0.366 -0.633 3.239) 3.320 14.953 ( 4.420 7.655 8.333) 12.148 15.261 ( -0.205 -0.356 -7.884) 7.894 15.330 ( 3.974 6.883 -1.693) 8.126 15.833 ( 5.154 8.926 -0.019) 10.307 15.922 ( 0.918 1.591 -3.141) 3.638 16.099 ( -1.918 -3.323 7.204) 8.162 16.147 ( 0.165 0.286 7.673) 7.680 16.372 ( -1.770 -3.066 -0.848) 3.640 16.570 ( 1.944 3.367 -4.625) 6.042 16.726 ( -1.805 -3.127 6.073) 7.065 17.126 ( -1.727 -2.992 1.089) 3.622 17.308 ( -1.797 -3.113 -2.995) 4.679 17.579 ( -3.708 -6.423 -21.863) 23.087 18.805 ( -0.574 -0.993 7.454) 7.541 19.085 ( 5.056 8.757 2.211) 10.351 19.142 ( 0.858 1.486 -4.193) 4.531 19.262 ( 6.764 11.716 -2.138) 13.696 19.446 ( 1.430 2.477 7.786) 8.295 19.823 ( 0.573 0.992 -2.556) 2.801 20.809 ( -1.931 -3.344 18.328) 18.730 21.927 ( -1.482 -2.568 -10.320) 10.738 22.659 ( 6.723 11.645 0.297) 13.449 22.683 ( 7.809 13.525 -0.280) 15.620 23.364 ( 2.616 4.532 0.523) 5.259 23.489 ( 2.973 5.149 -2.929) 6.628 23.860 ( -1.148 -1.989 6.601) 6.989 24.332 ( -5.608 -9.714 -5.911) 12.679 ======================= Grid point 133 (26/42) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.754 ( 21.479 21.969 8.888) 31.984 4.135 ( 17.045 23.029 1.735) 28.703 4.433 ( 8.732 18.947 -8.239) 22.431 4.548 ( 10.841 7.940 -8.896) 16.116 4.924 ( -7.709 -3.609 -0.237) 8.515 4.979 ( -9.952 -4.760 3.024) 11.438 5.101 ( -2.786 -9.656 3.578) 10.668 5.262 ( -4.569 3.507 0.913) 5.831 5.462 ( -4.754 -8.191 -0.830) 9.507 5.675 ( -2.719 -13.787 4.090) 14.635 5.826 ( 4.968 1.161 -3.443) 6.155 6.138 ( -7.986 -14.460 -1.924) 16.631 6.472 ( 0.145 -0.529 7.849) 7.868 6.548 ( -1.029 0.943 -0.110) 1.400 6.806 ( -10.143 -1.690 1.496) 10.391 6.965 ( -0.058 -3.850 -5.131) 6.416 7.225 ( 2.498 6.080 4.886) 8.191 7.409 ( 3.419 5.160 -1.894) 6.473 7.519 ( 8.991 1.733 -7.191) 11.642 7.867 ( 2.966 3.398 -2.545) 5.179 7.996 ( 5.610 -1.460 8.334) 10.151 8.123 ( 3.749 7.113 8.965) 12.042 8.230 ( 6.481 -1.925 -10.478) 12.470 8.668 ( -4.503 -2.993 -12.309) 13.445 8.748 ( 2.899 -6.288 -12.853) 14.599 9.141 ( -2.594 3.825 -5.137) 6.910 9.247 ( -10.568 -18.020 10.235) 23.262 9.723 ( 0.294 7.094 2.898) 7.669 9.801 ( -7.626 -4.791 -0.287) 9.011 10.030 ( 1.124 7.741 6.759) 10.337 10.157 ( -4.113 1.782 2.701) 5.233 10.255 ( 3.703 1.057 5.967) 7.102 10.304 ( 2.446 10.127 10.570) 14.841 10.527 ( 1.695 -2.512 10.359) 10.793 10.704 ( -2.264 0.913 1.261) 2.748 10.884 ( -1.083 -5.286 -3.675) 6.528 10.943 ( 2.640 -5.256 3.504) 6.846 11.162 ( -1.767 4.366 -2.118) 5.164 11.326 ( -13.426 2.394 -0.870) 13.666 11.453 ( -7.315 -1.955 -1.258) 7.676 11.548 ( -6.717 -1.452 -1.028) 6.949 11.602 ( -4.489 1.754 3.139) 5.751 11.800 ( -5.431 -3.896 -3.920) 7.748 11.886 ( 0.966 -2.344 -8.806) 9.163 12.078 ( 2.597 -5.989 -1.617) 6.725 12.145 ( 2.259 -8.156 0.212) 8.465 12.361 ( 4.311 -6.050 -5.634) 9.323 12.461 ( 2.532 -4.141 -5.911) 7.648 12.556 ( -1.565 -3.071 0.580) 3.495 12.703 ( 6.785 -4.685 -0.438) 8.257 12.999 ( -3.172 -4.183 -5.358) 7.501 13.196 ( -0.952 2.432 -2.551) 3.651 13.245 ( 0.748 0.924 1.927) 2.264 13.289 ( -0.475 -0.780 3.496) 3.613 13.425 ( 3.380 -8.814 -1.040) 9.497 13.531 ( -1.031 -8.306 -3.753) 9.172 14.006 ( -4.161 -1.467 2.163) 4.914 14.155 ( -1.098 1.936 -1.182) 2.520 14.421 ( -0.748 2.442 6.232) 6.735 14.455 ( 1.152 0.692 6.392) 6.532 14.778 ( -1.438 3.361 -0.820) 3.746 14.842 ( -0.076 9.064 0.005) 9.064 14.893 ( 2.043 1.079 0.717) 2.419 15.109 ( 1.959 6.893 1.144) 7.256 15.244 ( -1.109 1.966 -7.476) 7.810 15.512 ( 7.680 6.205 -1.662) 10.012 15.910 ( -2.598 0.094 0.397) 2.630 15.955 ( 0.450 0.145 0.751) 0.887 16.051 ( 2.157 -4.215 6.144) 7.757 16.245 ( 2.942 9.134 5.326) 10.975 16.285 ( -1.182 -1.259 1.446) 2.252 16.593 ( 1.713 -2.846 0.936) 3.451 16.771 ( 0.519 6.693 -1.112) 6.805 16.927 ( -17.326 3.062 0.157) 17.596 17.198 ( -4.969 -3.395 -2.927) 6.692 17.541 ( 11.300 -17.516 -16.624) 26.662 18.792 ( 0.117 -0.769 7.401) 7.442 19.150 ( -1.393 3.316 -3.746) 5.193 19.275 ( 7.145 3.404 1.871) 8.133 19.461 ( 0.561 2.137 3.211) 3.898 19.496 ( 5.347 5.025 -0.483) 7.353 19.816 ( -1.144 -1.386 -3.327) 3.781 20.757 ( -1.060 -1.469 18.159) 18.249 21.883 ( -0.772 -1.793 -10.699) 10.876 22.877 ( 0.659 15.045 0.796) 15.081 22.945 ( 1.645 17.684 -0.797) 17.778 23.473 ( 7.085 0.234 0.984) 7.157 23.602 ( 5.410 2.640 -2.299) 6.444 23.777 ( -2.735 -6.802 4.488) 8.596 24.101 ( -6.012 -13.158 -3.888) 14.979 ======================= Grid point 134 (27/42) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.223 ( -2.218 3.841 5.171) 6.813 4.480 ( -3.366 5.830 4.049) 7.855 4.514 ( 0.547 -0.947 -0.038) 1.094 4.683 ( -3.240 5.612 -0.774) 6.527 4.776 ( 0.275 -0.476 -0.921) 1.073 4.925 ( 0.255 -0.441 1.923) 1.990 5.006 ( -3.042 5.269 -6.743) 9.082 5.102 ( -1.186 2.054 5.545) 6.030 5.437 ( -1.401 2.427 -5.382) 6.067 5.564 ( 6.774 -11.733 3.973) 14.119 5.884 ( 3.063 -5.306 -12.762) 14.157 5.923 ( 5.864 -10.156 -0.945) 11.765 6.470 ( -0.248 0.429 8.409) 8.423 6.608 ( 1.337 -2.316 -3.141) 4.125 6.643 ( -4.313 7.471 9.877) 13.114 6.952 ( 0.575 -0.997 -6.858) 6.954 7.284 ( -2.104 3.644 4.356) 6.056 7.464 ( -3.312 5.737 -2.398) 7.045 7.675 ( 2.285 -3.958 -6.766) 8.165 7.854 ( 3.903 -6.760 -1.912) 8.037 8.009 ( 5.991 -10.377 8.150) 14.491 8.206 ( -2.083 3.608 -4.380) 6.045 8.436 ( 2.600 -4.504 -14.914) 15.795 8.568 ( -0.287 0.498 2.444) 2.511 8.754 ( 3.430 -5.940 -10.075) 12.188 8.952 ( 1.403 -2.429 15.823) 16.070 9.198 ( -3.561 6.168 -0.823) 7.170 9.515 ( 2.128 -3.685 1.019) 4.376 9.977 ( -1.805 3.126 -3.566) 5.074 9.986 ( -4.878 8.449 11.205) 14.857 10.175 ( 0.539 -0.933 -1.048) 1.503 10.215 ( -4.990 8.643 -1.206) 10.052 10.428 ( -1.722 2.983 11.252) 11.767 10.589 ( -1.901 3.292 14.954) 15.429 10.699 ( -1.643 2.845 -1.679) 3.689 10.875 ( 4.981 -8.627 2.364) 10.239 11.034 ( -0.881 1.526 -2.914) 3.405 11.102 ( -6.606 11.443 -0.331) 13.217 11.150 ( -4.514 7.819 1.526) 9.156 11.305 ( -3.090 5.353 3.139) 6.932 11.506 ( 3.266 -5.656 2.255) 6.909 11.546 ( -2.684 4.650 -7.503) 9.226 11.703 ( -0.447 0.775 -2.513) 2.667 11.901 ( 2.197 -3.806 -6.916) 8.194 12.100 ( 3.020 -5.231 -1.169) 6.153 12.101 ( 5.067 -8.776 0.061) 10.134 12.384 ( 3.699 -6.406 -7.275) 10.375 12.463 ( 2.904 -5.030 -13.338) 14.547 12.521 ( 3.316 -5.744 6.097) 9.009 12.832 ( 5.726 -9.917 2.192) 11.660 12.852 ( 0.082 -0.142 -9.750) 9.751 13.208 ( -1.583 2.743 -2.706) 4.166 13.263 ( -0.078 0.136 3.315) 3.319 13.276 ( 1.064 -1.843 4.412) 4.899 13.392 ( 1.492 -2.584 0.092) 2.985 13.495 ( 6.232 -10.794 -5.167) 13.492 13.955 ( -0.836 1.448 2.909) 3.355 14.152 ( -1.444 2.502 -1.966) 3.494 14.421 ( -0.912 1.579 7.587) 7.803 14.479 ( -0.517 0.896 6.720) 6.800 14.768 ( -2.306 3.994 0.033) 4.612 14.900 ( 0.362 -0.627 -0.221) 0.757 14.925 ( -5.853 10.138 2.784) 12.033 15.145 ( -1.666 2.886 -7.770) 8.455 15.262 ( -0.714 1.237 -3.591) 3.865 15.671 ( -2.428 4.206 -4.001) 6.292 15.821 ( -0.503 0.871 6.420) 6.498 15.972 ( -0.131 0.227 0.548) 0.608 16.047 ( 3.065 -5.309 5.802) 8.441 16.211 ( 1.383 -2.396 0.284) 2.781 16.524 ( -5.347 9.261 3.219) 11.167 16.538 ( -1.541 2.670 2.252) 3.818 16.648 ( -1.827 3.164 1.649) 4.009 16.863 ( -4.270 7.395 -4.256) 9.541 17.120 ( 1.931 -3.345 -1.181) 4.039 17.557 ( 11.155 -19.322 -15.149) 26.968 18.790 ( 0.368 -0.638 7.215) 7.253 19.155 ( -1.654 2.866 -4.051) 5.231 19.396 ( 1.213 -2.101 1.938) 3.104 19.426 ( 0.186 -0.322 4.336) 4.352 19.607 ( -1.565 2.710 -1.756) 3.589 19.779 ( 0.775 -1.342 -4.333) 4.602 20.740 ( 0.152 -0.264 18.257) 18.260 21.866 ( 0.489 -0.847 -10.761) 10.805 22.965 ( -8.357 14.474 1.083) 16.748 23.062 ( -9.410 16.299 -1.176) 18.857 23.600 ( 1.314 -2.276 1.203) 2.890 23.650 ( 5.005 -8.670 3.350) 10.557 23.717 ( 0.017 -0.030 -1.688) 1.689 23.919 ( 6.590 -11.414 -3.240) 13.573 ======================= Grid point 144 (28/42) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.207 ( 11.595 20.084 6.069) 23.972 4.518 ( 5.800 10.046 3.335) 12.070 4.610 ( -3.407 -5.902 1.670) 7.016 4.677 ( 3.073 5.323 -3.908) 7.283 4.816 ( -3.506 -6.073 1.348) 7.141 4.867 ( -4.861 -8.420 7.057) 12.014 5.036 ( 7.306 12.655 -2.174) 14.773 5.297 ( -3.493 -6.051 -1.121) 7.076 5.328 ( -1.575 -2.727 2.216) 3.851 5.528 ( 1.248 2.161 -7.807) 8.196 5.739 ( -3.186 -5.518 -3.445) 7.243 5.827 ( -7.453 -12.909 -3.430) 15.295 6.503 ( 1.383 2.395 3.605) 4.544 6.560 ( -0.200 -0.347 -0.801) 0.896 6.819 ( -0.360 -0.624 1.711) 1.857 6.865 ( -0.737 -1.276 -0.313) 1.506 7.344 ( 2.167 3.753 0.606) 4.375 7.563 ( 4.995 8.651 -0.139) 9.990 7.582 ( 2.876 4.982 -6.464) 8.653 7.781 ( -4.343 -7.522 -4.866) 9.956 7.847 ( -6.574 -11.386 10.078) 16.566 8.268 ( 4.257 7.373 -14.249) 16.599 8.355 ( 2.553 4.421 -9.700) 10.961 8.516 ( -5.615 -9.726 -9.567) 14.754 8.743 ( 4.461 7.727 5.078) 10.266 8.946 ( -4.973 -8.613 15.830) 18.695 9.261 ( 3.495 6.054 2.379) 7.384 9.503 ( -7.208 -12.484 -0.538) 14.425 9.988 ( 5.558 9.627 -0.798) 11.145 10.129 ( 1.357 2.350 11.631) 11.943 10.136 ( -2.099 -3.635 1.018) 4.319 10.385 ( 3.721 6.445 -0.171) 7.444 10.526 ( 0.802 1.388 19.172) 19.238 10.533 ( 4.402 7.624 10.071) 13.376 10.699 ( -2.148 -3.720 8.834) 9.823 10.701 ( -5.174 -8.962 -13.045) 16.651 11.050 ( 8.618 14.927 -0.210) 17.237 11.232 ( 0.741 1.283 0.952) 1.761 11.364 ( -0.366 -0.634 -1.157) 1.370 11.408 ( 2.036 3.527 -4.273) 5.903 11.485 ( -1.838 -3.183 0.900) 3.784 11.614 ( -3.607 -6.248 -1.632) 7.397 11.663 ( -5.078 -8.796 -2.310) 10.416 11.814 ( -1.180 -2.044 -18.687) 18.835 12.004 ( -1.090 -1.888 13.518) 13.693 12.005 ( -2.231 -3.865 3.991) 5.987 12.255 ( 0.423 0.733 -20.010) 20.028 12.379 ( -2.471 -4.280 -11.823) 12.815 12.502 ( -1.129 -1.955 11.293) 11.517 12.705 ( 2.583 4.473 -4.434) 6.808 12.864 ( -4.408 -7.635 -7.760) 11.745 13.238 ( 1.007 1.745 -0.159) 2.021 13.254 ( 0.089 0.155 3.177) 3.182 13.304 ( -1.072 -1.856 -2.755) 3.491 13.325 ( 0.820 1.421 1.524) 2.239 13.391 ( -2.720 -4.711 -1.649) 5.684 13.959 ( -1.081 -1.872 2.498) 3.303 14.180 ( 0.293 0.508 -2.868) 2.928 14.460 ( 0.585 1.013 9.422) 9.494 14.474 ( 0.481 0.833 8.454) 8.508 14.817 ( 0.002 0.003 1.724) 1.724 14.901 ( 1.137 1.969 -1.152) 2.549 15.043 ( 3.893 6.743 4.545) 9.016 15.193 ( 0.389 0.674 -4.880) 4.941 15.230 ( -1.071 -1.855 -11.761) 11.955 15.708 ( 5.957 10.318 0.040) 11.914 15.901 ( -1.584 -2.744 2.237) 3.878 15.931 ( -2.509 -4.346 8.847) 10.171 16.004 ( 2.356 4.081 0.477) 4.736 16.168 ( -3.661 -6.341 0.068) 7.323 16.512 ( 2.423 4.197 3.057) 5.730 16.592 ( 6.444 11.162 2.836) 13.197 16.888 ( -4.355 -7.543 1.827) 8.899 16.932 ( 4.281 7.415 -3.931) 9.421 17.142 ( -3.105 -5.378 -3.804) 7.283 17.173 ( -6.442 -11.158 -12.857) 18.202 18.783 ( -0.111 -0.193 6.693) 6.696 19.199 ( 0.638 1.106 -5.420) 5.568 19.352 ( 2.197 3.806 3.503) 5.620 19.431 ( -1.543 -2.673 4.042) 5.086 19.638 ( 3.439 5.957 -3.542) 7.737 19.762 ( -2.053 -3.556 -3.892) 5.658 20.737 ( -0.245 -0.425 18.201) 18.208 21.857 ( -0.351 -0.608 -10.822) 10.845 23.184 ( 7.329 12.695 1.715) 14.758 23.319 ( 9.194 15.924 -1.599) 18.457 23.461 ( -1.082 -1.873 2.109) 3.021 23.587 ( -3.464 -6.000 1.528) 7.094 23.655 ( -0.520 -0.900 -1.548) 1.864 23.799 ( -8.110 -14.046 -2.506) 16.411 ======================= Grid point 218 (29/42) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 0.000 -0.000 47.823) 47.823 1.856 ( -0.000 0.000 47.823) 47.823 2.712 ( 0.000 0.000 -43.661) 43.661 2.712 ( 0.000 -0.000 -43.661) 43.661 2.759 ( -0.000 0.000 70.063) 70.063 3.976 ( 0.000 -0.000 -58.867) 58.867 5.254 ( 0.000 -0.000 17.096) 17.096 5.254 ( 0.000 -0.000 17.096) 17.096 5.530 ( -0.000 0.000 -12.589) 12.589 5.530 ( 0.000 -0.000 -12.589) 12.589 6.034 ( -0.000 0.000 10.689) 10.689 6.034 ( 0.000 0.000 10.689) 10.689 6.228 ( -0.000 0.000 -9.338) 9.338 6.228 ( 0.000 -0.000 -9.338) 9.338 6.667 ( 0.000 0.000 4.311) 4.311 6.787 ( -0.000 -0.000 -9.597) 9.597 7.148 ( 0.000 0.000 15.279) 15.279 7.436 ( 0.000 0.000 -14.452) 14.452 8.348 ( 0.000 -0.000 5.781) 5.781 8.348 ( 0.000 -0.000 5.781) 5.781 8.437 ( 0.000 0.000 -3.351) 3.351 8.437 ( 0.000 0.000 -3.351) 3.351 9.058 ( 0.000 -0.000 -1.584) 1.584 9.061 ( 0.000 0.000 -2.416) 2.416 9.545 ( 0.000 -0.000 30.051) 30.051 9.600 ( -0.000 -0.000 4.448) 4.448 9.600 ( 0.000 -0.000 4.448) 4.448 9.686 ( 0.000 0.000 -4.299) 4.299 9.686 ( 0.000 -0.000 -4.299) 4.299 9.905 ( 0.000 0.000 21.131) 21.131 9.924 ( 0.000 -0.000 -14.607) 14.607 10.422 ( 0.000 0.000 -28.907) 28.907 10.614 ( 0.000 -0.000 15.831) 15.831 10.894 ( 0.000 0.000 -13.693) 13.693 10.922 ( 0.000 0.000 -2.346) 2.346 10.922 ( -0.000 0.000 -2.346) 2.346 10.960 ( 0.000 -0.000 -6.804) 6.804 10.960 ( 0.000 0.000 -6.804) 6.804 12.007 ( 0.000 -0.000 5.522) 5.522 12.007 ( 0.000 0.000 5.522) 5.522 12.076 ( -0.000 0.000 -2.236) 2.236 12.076 ( -0.000 0.000 -2.236) 2.236 12.301 ( -0.000 -0.000 8.185) 8.185 12.301 ( 0.000 0.000 8.185) 8.185 12.414 ( -0.000 0.000 -3.554) 3.554 12.414 ( 0.000 -0.000 -3.554) 3.554 12.950 ( 0.000 0.000 17.660) 17.660 13.180 ( 0.000 -0.000 7.621) 7.621 13.180 ( -0.000 0.000 7.621) 7.621 13.182 ( 0.000 0.000 12.626) 12.626 13.288 ( 0.000 -0.000 -17.291) 17.291 13.313 ( 0.000 0.000 -6.425) 6.425 13.313 ( 0.000 0.000 -6.425) 6.425 13.417 ( -0.000 0.000 -11.865) 11.865 13.761 ( -0.000 -0.000 5.487) 5.487 13.761 ( -0.000 0.000 5.487) 5.487 13.868 ( -0.000 0.000 -5.503) 5.503 13.868 ( 0.000 0.000 -5.503) 5.503 14.190 ( -0.000 0.000 1.875) 1.875 14.190 ( -0.000 0.000 1.875) 1.875 14.241 ( 0.000 -0.000 -3.657) 3.657 14.241 ( 0.000 0.000 -3.657) 3.657 14.608 ( 0.000 0.000 11.696) 11.696 14.822 ( 0.000 0.000 -10.526) 10.526 15.014 ( -0.000 0.000 5.925) 5.925 15.014 ( -0.000 -0.000 5.925) 5.925 15.138 ( 0.000 0.000 -7.002) 7.002 15.138 ( -0.000 -0.000 -7.002) 7.002 16.379 ( 0.000 -0.000 2.698) 2.698 16.379 ( 0.000 0.000 2.698) 2.698 16.426 ( 0.000 -0.000 -2.186) 2.186 16.426 ( 0.000 -0.000 -2.186) 2.186 17.201 ( 0.000 0.000 8.940) 8.940 17.368 ( -0.000 0.000 -8.369) 8.369 18.208 ( 0.000 -0.000 3.037) 3.037 18.286 ( 0.000 -0.000 -4.925) 4.925 18.456 ( -0.000 0.000 1.601) 1.601 18.456 ( -0.000 0.000 1.601) 1.601 18.483 ( 0.000 0.000 -1.234) 1.234 18.483 ( 0.000 -0.000 -1.234) 1.234 19.421 ( 0.000 -0.000 10.847) 10.847 19.598 ( 0.000 0.000 -7.732) 7.732 22.092 ( 0.000 0.000 0.452) 0.452 22.092 ( 0.000 0.000 0.452) 0.452 22.101 ( 0.000 0.000 -0.466) 0.466 22.101 ( 0.000 -0.000 -0.466) 0.466 22.594 ( 0.000 0.000 4.326) 4.326 22.690 ( 0.000 0.000 -5.725) 5.725 23.917 ( 0.000 0.000 5.424) 5.424 24.012 ( -0.000 0.000 -4.519) 4.519 ======================= Grid point 219 (30/42) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 9.724 5.614 44.199) 45.603 2.065 ( 16.406 9.472 42.535) 46.563 2.761 ( 4.640 2.679 -43.717) 44.044 2.851 ( 11.325 6.539 -40.765) 42.812 3.248 ( 35.064 20.244 56.181) 69.250 4.221 ( 19.091 11.022 -44.128) 49.328 5.251 ( -0.001 -0.001 14.092) 14.092 5.375 ( 7.808 4.508 7.811) 11.929 5.468 ( -2.397 -1.384 -7.681) 8.164 5.541 ( 0.983 0.567 -6.745) 6.840 6.156 ( 9.477 5.472 5.998) 12.479 6.167 ( 6.375 3.681 8.498) 11.243 6.307 ( 8.069 4.658 -7.189) 11.768 6.356 ( 4.013 2.317 -8.476) 9.660 6.665 ( 4.601 2.656 -0.081) 5.313 6.742 ( -2.145 -1.238 -8.588) 8.938 7.117 ( -2.997 -1.730 15.257) 15.645 7.410 ( -3.085 -1.781 -14.953) 15.372 8.230 ( -8.698 -5.022 2.543) 10.360 8.239 ( -11.395 -6.579 2.883) 13.470 8.283 ( -8.113 -4.684 -0.338) 9.374 8.316 ( -9.848 -5.686 -2.636) 11.673 8.833 ( -14.173 -8.183 5.894) 17.394 8.973 ( -8.096 -4.674 -8.536) 12.659 9.328 ( -13.321 -7.691 17.508) 23.305 9.442 ( -10.954 -6.324 -0.032) 12.649 9.657 ( 3.667 2.117 9.184) 10.113 9.690 ( 1.127 0.651 9.441) 9.530 9.803 ( 4.461 2.576 -7.417) 9.030 9.904 ( -0.122 -0.071 -8.735) 8.736 10.022 ( 6.964 4.021 15.731) 17.667 10.399 ( -1.145 -0.661 -21.137) 21.179 10.642 ( 2.468 1.425 11.430) 11.780 10.842 ( -1.533 -0.885 -10.060) 10.214 10.954 ( 2.171 1.253 -4.221) 4.909 10.972 ( 1.713 0.989 -3.973) 4.438 11.019 ( 5.683 3.281 -1.860) 6.820 11.103 ( 7.465 4.310 -7.704) 11.561 11.880 ( -10.113 -5.839 5.525) 12.918 11.914 ( -8.327 -4.807 3.861) 10.361 11.958 ( -8.121 -4.689 -0.708) 9.404 11.977 ( -6.326 -3.652 -4.289) 8.470 12.298 ( -3.965 -2.289 7.099) 8.448 12.343 ( 1.887 1.089 2.579) 3.376 12.397 ( 2.385 1.377 1.428) 3.102 12.425 ( 0.403 0.233 -2.645) 2.686 12.853 ( -15.372 -8.875 9.817) 20.284 12.883 ( -17.196 -9.928 5.493) 20.602 12.985 ( -0.915 -0.528 7.369) 7.444 13.048 ( -9.542 -5.509 2.928) 11.401 13.118 ( -10.172 -5.873 -7.128) 13.739 13.185 ( -8.605 -4.968 -10.587) 14.519 13.340 ( -0.663 -0.383 0.527) 0.930 13.433 ( -0.703 -0.406 -7.277) 7.322 13.823 ( 2.049 1.183 5.069) 5.594 13.843 ( 2.616 1.510 3.966) 4.985 13.956 ( 4.007 2.313 -1.404) 4.835 13.964 ( 6.323 3.650 -3.678) 8.175 14.216 ( 2.693 1.555 5.772) 6.557 14.228 ( 2.630 1.518 2.101) 3.693 14.312 ( 6.451 3.724 -3.103) 8.069 14.337 ( 5.804 3.351 -3.633) 7.623 14.805 ( 11.383 6.572 0.894) 13.174 14.838 ( 3.269 1.887 -1.364) 4.013 15.017 ( 0.159 0.092 6.339) 6.342 15.121 ( 2.509 1.449 -0.876) 3.027 15.182 ( 7.962 4.597 -2.802) 9.612 15.295 ( 11.223 6.479 -11.234) 17.151 16.357 ( -1.713 -0.989 3.530) 4.046 16.394 ( 0.797 0.460 1.639) 1.880 16.416 ( -1.093 -0.631 0.201) 1.278 16.419 ( -0.213 -0.123 -2.549) 2.561 17.204 ( -0.224 -0.130 8.051) 8.056 17.355 ( -1.168 -0.674 -7.630) 7.748 17.724 ( -20.772 -11.993 0.342) 23.988 17.761 ( -25.563 -14.759 -2.790) 29.649 18.550 ( 7.349 4.243 1.090) 8.555 18.567 ( 6.643 3.835 -0.761) 7.708 18.771 ( 10.482 6.052 1.381) 12.182 18.811 ( 11.401 6.583 -2.606) 13.421 19.444 ( 2.093 1.208 10.602) 10.874 19.612 ( 1.317 0.760 -7.182) 7.342 21.733 ( -16.098 -9.294 17.133) 25.279 21.964 ( -7.590 -4.382 -8.538) 12.235 22.143 ( 4.107 2.371 0.347) 4.756 22.151 ( 3.958 2.285 -0.409) 4.589 22.905 ( 12.878 7.435 -1.606) 14.957 22.913 ( 13.619 7.863 -2.665) 15.950 23.956 ( 2.893 1.670 8.440) 9.077 24.144 ( 8.032 4.637 -12.428) 15.507 ======================= Grid point 220 (31/42) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 26.709 15.420 25.243) 39.854 2.584 ( 25.102 14.493 31.361) 42.705 2.988 ( 14.991 8.655 -33.780) 37.956 3.232 ( 19.440 11.224 -33.837) 40.606 4.206 ( 40.184 23.200 37.697) 59.783 4.761 ( 21.687 12.521 -16.261) 29.858 5.244 ( -0.799 -0.462 8.198) 8.250 5.350 ( -4.019 -2.320 -3.835) 6.020 5.598 ( 3.673 2.120 0.974) 4.351 5.653 ( 9.749 5.629 -7.222) 13.375 6.235 ( 0.383 0.221 1.021) 1.113 6.240 ( -5.625 -3.247 -0.355) 6.504 6.501 ( 14.233 8.217 2.083) 16.566 6.575 ( 12.770 7.373 -5.457) 15.723 6.804 ( 6.730 3.886 0.866) 7.820 6.919 ( 9.806 5.661 -9.074) 14.510 6.972 ( -8.738 -5.045 10.932) 14.876 7.227 ( -11.382 -6.571 -15.306) 20.174 7.921 ( -16.722 -9.655 4.419) 19.808 7.926 ( -11.558 -6.673 7.676) 15.396 8.048 ( -10.889 -6.287 -5.792) 13.843 8.097 ( -4.753 -2.744 -6.599) 8.583 8.543 ( -8.330 -4.809 10.001) 13.875 8.739 ( -9.117 -5.264 -8.077) 13.269 9.000 ( -12.705 -7.335 10.502) 18.042 9.154 ( -12.034 -6.948 -5.530) 14.956 9.636 ( -1.744 -1.007 8.575) 8.808 9.736 ( -5.572 -3.217 -2.040) 6.750 9.846 ( 6.655 3.842 8.391) 11.378 10.012 ( 4.724 2.727 -8.197) 9.847 10.185 ( 6.209 3.585 12.086) 14.053 10.360 ( -2.599 -1.500 -5.020) 5.848 10.735 ( 4.743 2.738 4.290) 6.957 10.822 ( -0.282 -0.163 -4.764) 4.775 10.990 ( 0.169 0.098 -6.323) 6.326 10.996 ( 0.110 0.064 -6.117) 6.118 11.164 ( 4.912 2.836 1.305) 5.820 11.225 ( 0.397 0.229 -3.411) 3.442 11.597 ( -13.104 -7.566 2.733) 15.377 11.612 ( -17.098 -9.871 0.612) 19.752 11.722 ( -8.733 -5.042 1.295) 10.167 11.789 ( -7.837 -4.525 -4.728) 10.210 12.136 ( -8.961 -5.174 8.829) 13.603 12.294 ( -6.686 -3.860 -6.575) 10.141 12.422 ( -7.970 -4.602 1.511) 9.327 12.428 ( -4.026 -2.324 -1.227) 4.808 12.523 ( -7.135 -4.119 6.528) 10.511 12.526 ( -2.756 -1.591 5.905) 6.708 12.826 ( -5.875 -3.392 -2.350) 7.180 12.841 ( -9.586 -5.534 -4.059) 11.790 13.029 ( 2.163 1.249 2.775) 3.734 13.096 ( -0.394 -0.228 -4.738) 4.760 13.304 ( -1.770 -1.022 3.489) 4.044 13.391 ( -2.170 -1.253 -4.388) 5.053 13.802 ( -1.858 -1.073 2.315) 3.156 13.828 ( -2.549 -1.472 -0.253) 2.954 14.039 ( 2.492 1.439 1.970) 3.488 14.071 ( 1.245 0.719 -1.557) 2.120 14.288 ( 2.476 1.430 0.940) 3.010 14.293 ( 2.643 1.526 0.277) 3.064 14.472 ( 5.180 2.990 0.490) 6.001 14.501 ( 7.548 4.358 -2.726) 9.132 14.946 ( 3.843 2.219 6.485) 7.858 15.008 ( -0.957 -0.553 4.898) 5.021 15.057 ( 9.274 5.355 -2.654) 11.033 15.123 ( -0.443 -0.256 -4.849) 4.875 15.482 ( 14.205 8.201 1.400) 16.462 15.582 ( 11.422 6.594 -9.430) 16.213 16.299 ( -3.285 -1.897 5.112) 6.366 16.370 ( -2.160 -1.247 5.320) 5.876 16.377 ( -2.000 -1.154 -2.890) 3.699 16.439 ( 1.087 0.628 -2.441) 2.744 17.097 ( -9.340 -5.392 5.359) 12.043 17.169 ( -16.520 -9.538 -1.705) 19.152 17.372 ( -2.736 -1.580 -0.669) 3.230 17.462 ( -0.727 -0.420 -11.030) 11.062 18.773 ( 9.150 5.283 0.250) 10.568 18.778 ( 10.507 6.066 -0.247) 12.134 18.925 ( 4.153 2.397 3.408) 5.883 18.992 ( 4.851 2.801 -3.602) 6.659 19.524 ( 4.120 2.378 9.514) 10.637 19.667 ( 2.983 1.722 -5.871) 6.806 21.443 ( -8.645 -4.991 23.105) 25.169 21.807 ( -5.389 -3.111 -15.587) 16.783 22.279 ( 6.285 3.629 -0.055) 7.257 22.279 ( 6.778 3.913 -0.098) 7.827 23.170 ( 8.789 5.074 0.089) 10.149 23.187 ( 9.985 5.765 -1.858) 11.679 24.031 ( 2.654 1.533 11.891) 12.280 24.282 ( 2.505 1.446 -14.779) 15.060 ======================= Grid point 221 (32/42) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 31.489 18.180 9.199) 37.505 3.216 ( 26.236 15.147 15.188) 33.889 3.482 ( 24.941 14.400 -12.205) 31.279 3.755 ( 23.208 13.399 -24.603) 36.380 4.952 ( 13.625 7.866 14.190) 21.186 5.083 ( 1.474 0.851 1.030) 1.990 5.250 ( 3.528 2.037 4.399) 5.995 5.261 ( -2.064 -1.192 0.921) 2.555 5.673 ( 2.241 1.294 3.492) 4.346 5.758 ( -1.022 -0.590 -4.008) 4.178 6.159 ( 1.467 0.847 4.015) 4.358 6.308 ( 4.660 2.690 -9.328) 10.768 6.603 ( -15.145 -8.744 3.938) 17.925 6.697 ( -15.927 -9.195 -4.428) 18.916 6.883 ( 7.790 4.497 9.152) 12.832 6.899 ( 12.809 7.395 3.646) 15.233 7.057 ( 10.570 6.103 -7.653) 14.406 7.171 ( -0.731 -0.422 -13.846) 13.872 7.590 ( -6.695 -3.865 7.228) 10.583 7.764 ( -0.655 -0.378 2.032) 2.168 7.874 ( -0.971 -0.561 -3.138) 3.332 8.082 ( 3.346 1.932 -11.074) 11.729 8.446 ( -0.232 -0.134 9.123) 9.127 8.541 ( -8.669 -5.005 5.556) 11.448 8.792 ( -2.392 -1.381 -5.660) 6.298 8.884 ( -9.765 -5.638 -11.305) 15.967 9.595 ( -1.704 -0.984 6.362) 6.659 9.607 ( -5.282 -3.049 2.925) 6.764 9.935 ( 0.279 0.161 6.041) 6.050 10.064 ( -0.999 -0.577 -4.843) 4.978 10.283 ( -2.952 -1.705 5.123) 6.154 10.308 ( 3.591 2.073 4.048) 5.795 10.793 ( -5.123 -2.958 3.919) 7.096 10.802 ( -1.417 -0.818 6.551) 6.752 10.936 ( -9.090 -5.248 -5.142) 11.688 10.939 ( -5.730 -3.308 -3.319) 7.403 11.080 ( -6.747 -3.896 0.205) 7.794 11.145 ( -11.763 -6.791 -4.189) 14.214 11.211 ( -3.488 -2.014 -0.490) 4.057 11.259 ( -12.330 -7.119 -3.310) 14.618 11.659 ( 1.420 0.820 2.730) 3.185 11.704 ( 1.773 1.023 -3.474) 4.032 11.921 ( -7.266 -4.195 8.843) 12.190 12.064 ( -11.205 -6.469 -0.406) 12.945 12.180 ( -8.921 -5.150 -0.511) 10.313 12.248 ( -5.569 -3.215 -11.764) 13.407 12.519 ( 0.445 0.257 5.378) 5.403 12.548 ( 0.796 0.459 1.431) 1.701 12.674 ( -4.511 -2.605 0.951) 5.295 12.760 ( -0.813 -0.469 -6.080) 6.152 13.078 ( 1.923 1.110 1.064) 2.462 13.118 ( 1.476 0.852 -3.131) 3.565 13.286 ( 0.897 0.518 5.129) 5.233 13.362 ( 0.307 0.177 -2.130) 2.159 13.766 ( -2.282 -1.318 0.457) 2.675 13.783 ( 0.354 0.204 -1.310) 1.373 14.030 ( -3.922 -2.264 1.155) 4.674 14.062 ( -0.720 -0.416 -1.949) 2.119 14.332 ( 1.492 0.861 0.724) 1.869 14.352 ( 2.062 1.190 -1.351) 2.737 14.565 ( 2.333 1.347 4.179) 4.972 14.638 ( 3.528 2.037 -3.469) 5.351 14.971 ( -1.704 -0.984 2.660) 3.309 14.979 ( -0.934 -0.539 3.471) 3.635 15.148 ( 2.716 1.568 2.485) 4.002 15.259 ( 7.232 4.175 -7.195) 11.023 15.801 ( 11.220 6.478 1.052) 12.998 15.835 ( 9.389 5.421 -2.660) 11.163 16.194 ( -4.699 -2.713 5.732) 7.892 16.293 ( -4.478 -2.586 -4.572) 6.903 16.342 ( -0.193 -0.111 7.252) 7.255 16.459 ( 0.787 0.454 -5.107) 5.187 16.863 ( -9.208 -5.316 2.908) 11.023 16.875 ( -7.601 -4.388 1.944) 8.990 17.336 ( -1.188 -0.686 3.472) 3.733 17.514 ( 2.964 1.711 -15.957) 16.320 18.896 ( 1.242 0.717 3.222) 3.527 18.962 ( 3.185 1.839 -3.855) 5.328 19.106 ( 10.720 6.189 2.919) 12.718 19.154 ( 10.118 5.842 -1.927) 11.842 19.615 ( 2.842 1.641 7.785) 8.449 19.732 ( 1.896 1.095 -4.898) 5.365 21.284 ( -4.830 -2.789 24.431) 25.060 21.698 ( -3.642 -2.103 -18.949) 19.410 22.433 ( 6.045 3.490 0.757) 7.022 22.449 ( 6.821 3.938 -0.941) 7.932 23.374 ( 8.353 4.823 0.853) 9.683 23.400 ( 7.992 4.614 -2.019) 9.447 24.059 ( -0.596 -0.344 10.865) 10.887 24.270 ( -3.071 -1.773 -11.262) 11.807 ======================= Grid point 222 (33/42) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.825 ( 23.613 13.633 4.523) 27.638 3.841 ( 27.542 15.901 -0.400) 31.805 4.125 ( 26.677 15.402 3.035) 30.953 4.321 ( 22.541 13.014 -14.095) 29.599 4.890 ( -13.561 -7.829 1.087) 15.696 4.909 ( -10.036 -5.794 -0.885) 11.622 5.169 ( -8.266 -4.772 3.744) 10.253 5.207 ( -8.701 -5.023 -0.060) 10.047 5.689 ( -4.679 -2.701 2.051) 5.779 5.742 ( -0.416 -0.240 -3.138) 3.174 6.153 ( -10.496 -6.060 4.736) 13.012 6.187 ( -5.321 -3.072 0.683) 6.182 6.449 ( 3.586 2.070 0.856) 4.229 6.521 ( 3.712 2.143 -8.152) 9.210 6.870 ( -4.718 -2.724 9.872) 11.276 6.959 ( -9.549 -5.513 1.810) 11.173 7.236 ( 7.106 4.102 2.001) 8.445 7.298 ( 6.047 3.491 -3.761) 7.931 7.673 ( 11.380 6.570 6.250) 14.551 7.908 ( 8.649 4.994 -8.348) 13.017 7.988 ( 8.923 5.152 4.393) 11.201 8.235 ( 7.734 4.465 -13.832) 16.464 8.341 ( -6.399 -3.694 7.054) 10.215 8.475 ( 0.761 0.439 0.567) 1.046 8.734 ( -0.638 -0.368 -4.249) 4.312 8.873 ( 7.184 4.147 -11.437) 14.128 9.448 ( -8.696 -5.020 9.383) 13.742 9.562 ( -0.586 -0.339 -0.155) 0.695 9.879 ( -3.827 -2.210 4.350) 6.201 9.937 ( -7.416 -4.282 1.771) 8.745 10.224 ( -7.512 -4.337 -2.226) 8.956 10.285 ( -8.763 -5.060 -6.516) 12.036 10.509 ( -10.141 -5.855 4.411) 12.512 10.509 ( -8.207 -4.739 6.052) 11.245 10.774 ( -3.981 -2.298 6.759) 8.174 10.827 ( -0.872 -0.504 3.207) 3.362 10.981 ( -7.092 -4.095 1.369) 8.303 11.079 ( 0.062 0.036 -3.948) 3.949 11.138 ( 3.642 2.102 0.129) 4.207 11.156 ( -0.464 -0.268 -4.099) 4.134 11.670 ( -2.098 -1.211 8.208) 8.558 11.755 ( -6.669 -3.851 -0.551) 7.721 11.820 ( -0.934 -0.539 5.895) 5.993 11.844 ( 0.988 0.571 -1.700) 2.048 11.996 ( -5.887 -3.399 -4.509) 8.157 12.164 ( -1.934 -1.116 -17.497) 17.639 12.509 ( -0.555 -0.321 2.683) 2.758 12.567 ( 1.241 0.717 -3.549) 3.827 12.608 ( -1.675 -0.967 5.976) 6.281 12.738 ( -1.426 -0.823 -6.889) 7.084 13.120 ( 1.316 0.760 0.844) 1.738 13.145 ( 0.616 0.356 -1.863) 1.994 13.362 ( 5.244 3.028 4.931) 7.809 13.405 ( 2.609 1.506 0.407) 3.040 13.700 ( -3.998 -2.308 4.487) 6.438 13.813 ( 1.938 1.119 -6.168) 6.561 13.926 ( -3.545 -2.047 3.975) 5.706 14.008 ( -3.393 -1.959 -4.948) 6.311 14.373 ( 1.873 1.081 0.721) 2.279 14.394 ( 1.546 0.893 -1.453) 2.302 14.588 ( -0.339 -0.196 5.158) 5.173 14.672 ( -0.337 -0.195 -3.431) 3.453 14.941 ( -0.595 -0.344 -0.213) 0.719 14.945 ( -1.189 -0.686 -0.099) 1.376 15.219 ( 2.481 1.433 8.505) 8.975 15.397 ( 4.007 2.313 -10.022) 11.039 15.976 ( 2.629 1.518 1.572) 3.419 15.987 ( 1.165 0.673 1.285) 1.861 16.148 ( 3.107 1.794 4.224) 5.542 16.231 ( 0.421 0.243 -3.714) 3.746 16.353 ( 1.079 0.623 7.850) 7.948 16.488 ( 1.815 1.048 -6.568) 6.894 16.653 ( -8.130 -4.694 6.125) 11.210 16.741 ( -4.523 -2.611 -2.336) 5.721 17.312 ( -0.673 -0.389 8.676) 8.711 17.571 ( 1.580 0.912 -18.712) 18.801 18.906 ( 0.066 0.038 4.333) 4.334 18.994 ( 0.479 0.277 -5.273) 5.302 19.362 ( 9.662 5.578 3.626) 11.731 19.410 ( 9.839 5.680 -1.225) 11.427 19.639 ( -1.113 -0.643 5.812) 5.953 19.739 ( -1.538 -0.888 -4.929) 5.239 21.200 ( -2.212 -1.277 24.822) 24.953 21.631 ( -1.918 -1.108 -20.129) 20.251 22.553 ( 3.574 2.063 1.716) 4.469 22.587 ( 4.204 2.427 -1.859) 5.197 23.571 ( 7.542 4.355 0.154) 8.711 23.579 ( 6.656 3.843 -0.801) 7.727 24.006 ( -3.352 -1.935 8.047) 8.930 24.159 ( -5.374 -3.102 -7.917) 10.059 ======================= Grid point 223 (34/42) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.236 ( 0.000 0.000 4.533) 4.533 4.321 ( 0.000 0.000 -3.880) 3.880 4.572 ( 0.000 0.000 -2.623) 2.623 4.572 ( 0.000 0.000 -2.519) 2.519 4.630 ( 0.000 0.000 8.347) 8.347 4.788 ( 0.000 0.000 -8.652) 8.652 4.928 ( 0.000 0.000 4.437) 4.437 4.998 ( 0.000 0.000 -2.673) 2.673 5.593 ( 0.000 0.000 1.514) 1.514 5.661 ( 0.000 0.000 -6.168) 6.168 6.041 ( 0.000 0.000 5.990) 5.990 6.122 ( 0.000 0.000 -2.445) 2.445 6.580 ( 0.000 0.000 -4.451) 4.451 6.582 ( 0.000 0.000 -5.621) 5.621 6.781 ( 0.000 0.000 9.110) 9.110 6.787 ( 0.000 0.000 7.405) 7.405 7.309 ( 0.000 0.000 2.721) 2.721 7.362 ( 0.000 0.000 -2.175) 2.175 7.875 ( 0.000 0.000 5.506) 5.506 7.996 ( 0.000 0.000 2.144) 2.144 8.199 ( 0.000 0.000 10.812) 10.812 8.225 ( -0.000 -0.000 -6.671) 6.671 8.396 ( 0.000 0.000 -10.039) 10.039 8.406 ( 0.000 0.000 -15.233) 15.233 8.839 ( 0.000 0.000 7.480) 7.480 9.008 ( 0.000 0.000 -7.296) 7.296 9.240 ( 0.000 0.000 16.325) 16.325 9.544 ( 0.000 0.000 -14.626) 14.626 9.870 ( 0.000 0.000 1.335) 1.335 9.919 ( -0.000 -0.000 7.238) 7.238 9.939 ( 0.000 0.000 -5.248) 5.248 10.031 ( 0.000 0.000 -3.897) 3.897 10.428 ( 0.000 0.000 6.110) 6.110 10.565 ( 0.000 0.000 -6.631) 6.631 10.656 ( 0.000 0.000 14.154) 14.154 10.848 ( 0.000 0.000 -6.309) 6.309 10.867 ( 0.000 0.000 12.018) 12.018 11.097 ( 0.000 0.000 -9.992) 9.992 11.157 ( 0.000 0.000 6.602) 6.602 11.211 ( 0.000 0.000 2.530) 2.530 11.610 ( 0.000 0.000 5.363) 5.363 11.612 ( 0.000 0.000 2.192) 2.192 11.826 ( 0.000 0.000 11.744) 11.744 11.900 ( 0.000 0.000 -5.907) 5.907 11.921 ( 0.000 0.000 -8.551) 8.551 12.140 ( 0.000 0.000 -19.068) 19.068 12.507 ( -0.000 -0.000 0.979) 0.979 12.582 ( 0.000 0.000 8.410) 8.410 12.595 ( 0.000 0.000 -7.434) 7.434 12.708 ( 0.000 0.000 -5.082) 5.082 13.136 ( 0.000 0.000 0.550) 0.550 13.151 ( 0.000 0.000 -1.236) 1.236 13.445 ( 0.000 0.000 2.623) 2.623 13.478 ( 0.000 0.000 -1.293) 1.293 13.599 ( -0.000 -0.000 13.518) 13.518 13.853 ( 0.000 0.000 -12.737) 12.737 13.886 ( 0.000 0.000 4.080) 4.080 13.944 ( -0.000 -0.000 -2.271) 2.271 14.403 ( 0.000 0.000 0.321) 0.321 14.419 ( 0.000 0.000 -1.459) 1.459 14.574 ( 0.000 0.000 5.155) 5.155 14.658 ( 0.000 0.000 -3.361) 3.361 14.931 ( 0.000 0.000 -0.533) 0.533 14.937 ( 0.000 0.000 -1.333) 1.333 15.250 ( 0.000 0.000 9.913) 9.913 15.446 ( 0.000 0.000 -10.928) 10.928 15.976 ( 0.000 0.000 2.731) 2.731 15.989 ( 0.000 0.000 0.715) 0.715 16.226 ( -0.000 -0.000 2.092) 2.092 16.256 ( 0.000 0.000 -1.050) 1.050 16.391 ( -0.000 -0.000 6.484) 6.484 16.513 ( 0.000 0.000 10.494) 10.494 16.529 ( 0.000 0.000 -7.371) 7.371 16.666 ( 0.000 0.000 -5.393) 5.393 17.304 ( 0.000 0.000 10.752) 10.752 17.590 ( 0.000 0.000 -19.495) 19.495 18.907 ( 0.000 0.000 4.569) 4.569 18.999 ( 0.000 0.000 -5.541) 5.541 19.541 ( 0.000 0.000 7.418) 7.418 19.565 ( -0.000 -0.000 1.631) 1.631 19.569 ( 0.000 0.000 1.190) 1.190 19.684 ( 0.000 0.000 -7.393) 7.393 21.174 ( 0.000 0.000 24.899) 24.899 21.607 ( 0.000 0.000 -20.341) 20.341 22.597 ( 0.000 0.000 2.154) 2.154 22.640 ( 0.000 0.000 -2.273) 2.273 23.679 ( 0.000 0.000 0.054) 0.054 23.684 ( 0.000 0.000 -0.387) 0.387 23.945 ( -0.000 -0.000 6.586) 6.586 24.072 ( -0.000 -0.000 -6.556) 6.556 ======================= Grid point 230 (35/42) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 13.928 24.124 31.024) 41.695 2.411 ( 13.049 22.602 35.628) 44.164 2.909 ( 7.012 12.145 -38.540) 41.012 3.092 ( 9.391 16.265 -36.262) 40.837 3.949 ( 24.087 41.719 42.430) 64.195 4.619 ( 13.780 23.867 -23.847) 36.444 5.225 ( -0.692 -1.199 9.754) 9.852 5.363 ( -2.757 -4.776 -5.178) 7.564 5.576 ( 2.984 5.168 -0.179) 5.970 5.627 ( 5.703 9.877 -4.556) 12.282 6.243 ( 3.562 6.170 9.629) 11.978 6.325 ( 0.038 0.065 1.953) 1.955 6.385 ( 1.801 3.120 -3.951) 5.347 6.423 ( 5.159 8.936 -9.074) 13.741 6.777 ( 4.430 7.672 -1.170) 8.936 6.870 ( 8.722 15.106 -9.191) 19.716 7.022 ( -4.720 -8.175 13.473) 16.451 7.295 ( -6.155 -10.661 -14.713) 19.184 7.956 ( -9.658 -16.727 6.736) 20.456 8.082 ( -5.318 -9.211 -6.234) 12.329 8.086 ( -6.906 -11.961 3.700) 14.299 8.174 ( -4.939 -8.555 -5.478) 11.296 8.578 ( -7.246 -12.550 11.858) 18.725 8.806 ( -5.439 -9.420 -12.233) 16.370 9.052 ( -9.460 -16.386 15.101) 24.208 9.226 ( -7.543 -13.065 -5.396) 16.022 9.678 ( 0.135 0.233 10.277) 10.281 9.787 ( 4.779 8.278 9.494) 13.472 9.831 ( -1.780 -3.083 -3.681) 5.121 9.958 ( 3.819 6.614 -8.478) 11.411 10.139 ( 3.375 5.845 13.763) 15.329 10.395 ( -0.129 -0.223 -11.390) 11.393 10.687 ( 1.650 2.857 7.179) 7.901 10.844 ( 0.292 0.505 -9.206) 9.224 10.936 ( -0.581 -1.006 -0.704) 1.358 11.032 ( 1.125 1.949 -10.450) 10.690 11.108 ( 1.988 3.443 3.364) 5.208 11.203 ( 1.621 2.808 -5.620) 6.488 11.663 ( -8.599 -14.893 3.030) 17.462 11.713 ( -8.484 -14.694 -2.406) 17.137 11.746 ( -4.754 -8.234 8.067) 12.469 11.905 ( -2.658 -4.604 -7.860) 9.489 12.252 ( -2.766 -4.790 8.555) 10.188 12.349 ( -2.262 -3.918 2.629) 5.233 12.375 ( -3.392 -5.876 -0.140) 6.786 12.384 ( -0.959 -1.662 -4.660) 5.039 12.614 ( -4.630 -8.019 8.812) 12.783 12.739 ( -5.898 -10.216 9.297) 15.020 12.759 ( -4.776 -8.273 -4.918) 10.745 12.889 ( -5.461 -9.459 -4.578) 11.843 13.022 ( -1.718 -2.976 1.715) 3.841 13.118 ( -1.223 -2.119 -7.188) 7.593 13.282 ( -1.387 -2.402 3.832) 4.731 13.387 ( -1.608 -2.785 -6.181) 6.968 13.810 ( -3.356 -5.812 2.567) 7.186 13.830 ( -1.726 -2.990 0.256) 3.462 14.011 ( 3.495 6.053 4.105) 8.106 14.078 ( 2.462 4.265 -2.927) 5.729 14.294 ( 2.294 3.973 4.096) 6.150 14.362 ( 4.141 7.173 3.991) 9.194 14.387 ( 3.244 5.619 -5.616) 8.581 14.431 ( 2.993 5.183 -3.075) 6.729 14.911 ( 2.747 4.759 5.077) 7.482 14.980 ( 4.783 8.285 -2.330) 9.846 15.013 ( -0.224 -0.387 6.906) 6.921 15.154 ( -0.129 -0.224 -7.792) 7.796 15.364 ( 7.721 13.373 4.158) 15.992 15.513 ( 6.879 11.915 -11.711) 18.068 16.324 ( -1.151 -1.994 4.742) 5.272 16.380 ( -1.661 -2.876 4.059) 5.245 16.401 ( -0.601 -1.040 -3.318) 3.529 16.416 ( 0.484 0.838 -0.216) 0.991 17.213 ( 0.139 0.241 6.177) 6.183 17.334 ( -0.866 -1.500 -6.348) 6.580 17.343 ( -11.704 -20.272 1.571) 23.461 17.430 ( -6.784 -11.749 -8.901) 16.226 18.702 ( 5.756 9.970 1.476) 11.606 18.728 ( 6.061 10.497 -1.264) 12.187 18.889 ( 2.176 3.769 3.173) 5.386 18.955 ( 3.034 5.256 -3.725) 7.121 19.495 ( 2.024 3.506 10.060) 10.844 19.648 ( 1.553 2.690 -6.354) 7.072 21.501 ( -5.985 -10.366 22.259) 25.273 21.841 ( -3.561 -6.168 -14.215) 15.899 22.245 ( 4.161 7.206 0.395) 8.330 22.253 ( 4.087 7.079 -0.414) 8.184 23.103 ( 5.219 9.040 -0.255) 10.442 23.118 ( 5.975 10.349 -1.916) 12.103 24.011 ( 1.752 3.035 11.373) 11.901 24.258 ( 2.418 4.189 -15.111) 15.867 ======================= Grid point 231 (36/42) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 22.175 28.947 15.491) 39.618 2.968 ( 21.803 21.683 25.611) 40.018 3.281 ( 15.647 19.001 -24.753) 34.908 3.514 ( 18.034 15.539 -28.900) 37.441 4.788 ( 21.724 27.491 23.981) 42.460 5.050 ( 8.258 12.116 -1.713) 14.762 5.213 ( 1.421 -1.172 4.985) 5.314 5.279 ( -1.993 -3.172 -2.682) 4.607 5.618 ( 1.867 -0.546 4.461) 4.867 5.773 ( -0.415 1.279 -9.468) 9.563 6.265 ( -6.340 6.799 5.716) 10.913 6.361 ( -0.934 11.229 -4.240) 12.039 6.545 ( 12.744 -1.987 0.625) 12.913 6.673 ( 10.275 -1.743 -7.173) 12.652 6.765 ( -6.657 -9.825 6.003) 13.300 6.948 ( -11.590 -8.307 -10.310) 17.597 7.019 ( 4.753 9.951 4.067) 11.754 7.176 ( 6.316 8.818 -10.278) 14.943 7.634 ( -7.017 -12.349 12.617) 18.998 7.826 ( -7.525 -5.356 5.811) 10.913 7.900 ( -5.443 -6.584 -11.491) 14.319 8.046 ( 0.293 -2.033 -12.473) 12.641 8.407 ( -0.454 -5.815 13.776) 14.960 8.632 ( -7.778 -5.051 -2.312) 9.558 8.744 ( -2.629 -13.568 3.390) 14.230 8.952 ( -7.714 -11.107 -12.720) 18.565 9.688 ( -2.164 5.289 9.129) 10.770 9.767 ( -6.303 5.738 0.314) 8.530 9.944 ( 2.634 4.946 6.412) 8.516 10.048 ( 1.163 -0.536 -3.920) 4.124 10.238 ( 2.665 0.520 11.010) 11.340 10.362 ( -3.020 0.900 -0.947) 3.290 10.746 ( 3.052 -3.102 4.608) 6.338 10.834 ( -3.278 0.531 -1.493) 3.641 10.922 ( 1.168 -4.199 -3.818) 5.794 10.979 ( -7.624 -10.036 0.273) 12.607 11.065 ( -1.751 -7.076 -6.144) 9.533 11.106 ( -3.880 -12.878 -5.684) 14.602 11.411 ( -5.937 0.548 5.010) 7.787 11.511 ( -7.545 0.819 -4.282) 8.714 11.628 ( 0.095 -2.987 5.608) 6.354 11.771 ( -8.295 -0.560 -6.751) 10.709 12.038 ( -11.742 -5.945 8.504) 15.669 12.160 ( -7.123 -8.713 -0.220) 11.256 12.226 ( -4.828 -10.141 -1.165) 11.292 12.282 ( -4.259 -8.488 -8.472) 12.726 12.526 ( -3.136 0.291 6.838) 7.529 12.565 ( -2.576 0.570 4.580) 5.286 12.684 ( -1.517 -6.107 -0.891) 6.356 12.755 ( 0.689 -4.637 -5.415) 7.162 13.008 ( 2.433 -1.611 2.682) 3.963 13.099 ( 0.270 -0.462 -6.256) 6.279 13.258 ( 0.987 -1.597 4.267) 4.662 13.342 ( 0.205 -2.633 -3.775) 4.607 13.690 ( -0.052 -8.399 2.410) 8.738 13.742 ( -1.991 -6.389 -3.036) 7.349 14.091 ( -0.420 3.210 1.613) 3.617 14.115 ( -2.528 2.169 -0.889) 3.448 14.362 ( -0.082 5.923 4.592) 7.495 14.446 ( -1.414 9.422 -2.653) 9.890 14.520 ( 3.959 1.683 1.587) 4.585 14.573 ( 6.379 3.011 -3.292) 7.784 14.988 ( -1.410 0.052 6.291) 6.447 15.008 ( 1.546 3.196 6.803) 7.674 15.123 ( 0.401 0.769 -4.432) 4.516 15.164 ( 6.333 3.156 -6.073) 9.324 15.664 ( 10.762 9.139 2.558) 14.349 15.745 ( 7.033 7.520 -6.097) 11.966 16.263 ( -4.084 -1.110 6.085) 7.412 16.324 ( -0.492 -2.469 6.197) 6.689 16.362 ( -2.674 -0.526 -3.216) 4.215 16.435 ( 1.473 -0.448 -4.410) 4.671 16.994 ( -10.052 -6.513 6.560) 13.657 17.083 ( -14.401 3.175 -0.717) 14.764 17.308 ( 0.655 -3.938 -2.296) 4.605 17.379 ( 8.429 -7.104 -12.630) 16.764 18.904 ( 1.029 5.008 3.015) 5.935 18.939 ( 4.784 7.401 0.272) 8.817 18.990 ( 8.445 6.415 0.696) 10.628 19.044 ( 5.914 2.355 -3.825) 7.427 19.574 ( 2.918 2.166 9.044) 9.746 19.711 ( 2.018 2.187 -5.612) 6.352 21.325 ( -4.342 -5.525 24.005) 25.013 21.726 ( -3.066 -4.169 -18.091) 18.816 22.425 ( 4.667 10.119 0.121) 11.144 22.427 ( 4.966 9.885 -0.183) 11.064 23.280 ( 6.576 5.197 1.171) 8.463 23.316 ( 6.492 5.921 -2.598) 9.163 24.053 ( 0.454 -0.016 11.534) 11.543 24.282 ( -1.104 -2.048 -12.520) 12.734 ======================= Grid point 232 (37/42) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.549 ( 22.802 20.873 11.240) 32.893 3.630 ( 22.678 25.047 5.837) 34.289 3.839 ( 22.512 19.225 -6.991) 30.418 4.042 ( 22.394 13.887 -19.204) 32.606 5.020 ( -6.840 -1.240 4.225) 8.135 5.055 ( -9.526 -2.327 0.512) 9.819 5.241 ( -1.747 -1.002 3.308) 3.873 5.288 ( -1.223 -1.376 -0.372) 1.878 5.671 ( 0.842 -3.453 3.348) 4.883 5.717 ( 0.670 0.123 -1.076) 1.274 6.160 ( -7.756 -11.343 10.008) 16.999 6.321 ( -11.654 -7.310 -4.202) 14.384 6.483 ( -4.343 0.752 -1.163) 4.559 6.560 ( -0.983 5.378 -5.785) 7.960 6.801 ( 6.478 -4.589 7.448) 10.886 6.984 ( 2.802 -8.112 -9.248) 12.617 7.178 ( 4.198 11.029 7.487) 13.976 7.289 ( 0.486 6.203 -3.965) 7.378 7.542 ( 5.688 -0.989 8.099) 9.946 7.796 ( 5.267 2.429 -10.148) 11.688 7.875 ( 7.388 1.137 4.850) 8.911 8.144 ( 7.070 2.886 -14.265) 16.180 8.373 ( -1.402 -4.840 9.565) 10.811 8.462 ( 0.153 -0.064 8.741) 8.743 8.678 ( 1.063 -7.235 -10.629) 12.901 8.786 ( 1.299 -2.324 -14.905) 15.141 9.656 ( -12.381 3.431 6.895) 14.581 9.703 ( -7.257 9.467 4.737) 12.834 9.930 ( -5.109 -4.965 3.621) 7.992 9.998 ( -2.634 -2.849 -0.025) 3.880 10.227 ( -0.669 -1.491 6.992) 7.180 10.343 ( -1.297 -1.479 -1.701) 2.600 10.568 ( -9.587 -15.443 4.518) 18.730 10.643 ( -8.175 -6.774 -1.347) 10.702 10.789 ( -1.831 -2.827 6.129) 6.994 10.873 ( 0.022 0.103 -0.287) 0.306 11.036 ( 4.158 0.441 -1.986) 4.629 11.086 ( 1.040 0.617 -3.569) 3.769 11.257 ( -15.908 4.601 2.027) 16.683 11.334 ( -14.458 5.568 -5.232) 16.353 11.635 ( 0.762 -4.231 4.937) 6.546 11.710 ( 2.850 -1.628 -4.658) 5.698 11.810 ( -4.467 -6.485 8.712) 11.744 11.942 ( -8.354 -4.247 1.358) 9.469 12.061 ( -3.810 -5.231 -4.276) 7.757 12.138 ( -1.242 -7.585 -15.687) 17.469 12.490 ( -0.412 -2.179 5.291) 5.737 12.534 ( 0.823 -3.229 2.312) 4.056 12.625 ( -0.390 -1.844 1.480) 2.396 12.730 ( 0.192 -3.585 -7.527) 8.339 13.062 ( 5.256 -2.766 1.564) 6.142 13.107 ( 1.364 -0.960 -3.115) 3.533 13.283 ( 2.841 -0.189 4.625) 5.432 13.351 ( 2.913 -1.273 -1.524) 3.525 13.627 ( 2.158 -10.746 -0.362) 10.967 13.649 ( 2.487 -9.612 -2.496) 10.238 14.047 ( -5.872 1.445 1.667) 6.273 14.075 ( -4.244 2.609 -1.369) 5.166 14.426 ( -0.416 7.251 4.830) 8.723 14.514 ( -2.228 9.315 -3.316) 10.136 14.582 ( 1.138 2.117 4.364) 4.982 14.672 ( 1.350 2.009 -4.231) 4.874 14.949 ( -1.570 -0.507 3.622) 3.980 15.013 ( -3.637 2.597 -1.988) 4.891 15.184 ( 4.258 2.473 6.060) 7.809 15.328 ( 6.645 3.033 -7.812) 10.695 15.893 ( 5.630 2.206 1.042) 6.136 15.918 ( 6.890 2.212 -1.380) 7.367 16.184 ( -3.479 1.635 6.353) 7.426 16.273 ( -3.416 0.052 -1.719) 3.825 16.342 ( 1.083 0.461 6.383) 6.490 16.475 ( 2.233 2.141 -6.632) 7.318 16.813 ( -7.639 -1.263 4.045) 8.736 16.851 ( -13.033 2.046 0.284) 13.195 17.278 ( 1.126 -4.602 3.671) 5.994 17.459 ( 7.439 -6.648 -15.888) 18.760 18.917 ( -0.558 0.910 4.837) 4.953 19.007 ( -0.495 2.313 -4.805) 5.355 19.230 ( 10.458 5.432 2.943) 12.147 19.283 ( 10.612 6.543 -2.261) 12.670 19.624 ( 1.209 -0.720 7.446) 7.578 19.745 ( 0.079 -0.076 -5.417) 5.418 21.221 ( -2.428 -2.930 24.493) 24.787 21.644 ( -1.892 -2.790 -19.725) 20.011 22.598 ( 1.247 11.900 0.863) 11.996 22.615 ( 2.332 11.804 -0.962) 12.071 23.459 ( 8.276 3.097 1.152) 8.911 23.489 ( 7.317 3.732 -2.072) 8.471 24.017 ( -1.960 -4.007 8.979) 10.026 24.188 ( -3.846 -6.288 -8.873) 11.536 ======================= Grid point 233 (38/42) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.121 ( 17.868 14.584 6.575) 23.983 4.225 ( 15.738 18.026 -4.043) 24.268 4.430 ( 20.283 13.080 3.403) 24.373 4.540 ( 12.861 6.159 -6.846) 15.818 4.752 ( -13.428 -3.891 0.684) 13.997 4.806 ( -10.684 -2.993 -4.540) 11.988 5.089 ( -13.496 -3.558 3.420) 14.370 5.123 ( -9.849 -0.987 0.096) 9.898 5.552 ( -1.897 -9.063 4.721) 10.393 5.693 ( -3.880 -3.840 -9.744) 11.169 5.936 ( 1.441 -12.090 7.094) 14.091 6.065 ( -0.743 -9.505 -5.804) 11.161 6.557 ( 2.829 5.745 2.842) 7.006 6.648 ( 1.451 7.306 -4.335) 8.619 6.770 ( -1.897 -5.117 6.692) 8.635 6.827 ( -6.213 -5.583 2.343) 8.676 7.307 ( 1.236 2.510 3.051) 4.139 7.362 ( 1.046 2.474 -2.271) 3.517 7.708 ( 9.151 -3.048 5.515) 11.110 7.934 ( 6.021 -2.147 -14.385) 15.742 8.066 ( 9.049 -3.657 10.105) 14.049 8.248 ( 5.786 1.865 -1.117) 6.181 8.360 ( -1.118 -0.607 -1.997) 2.368 8.555 ( -0.801 9.484 -7.693) 12.238 8.681 ( 8.748 -3.613 4.300) 10.395 8.897 ( 7.441 1.410 -11.252) 13.564 9.365 ( -14.221 -6.276 13.735) 20.743 9.587 ( -6.842 -3.223 -8.316) 11.241 9.860 ( 2.226 4.038 5.718) 7.346 9.943 ( -2.408 6.961 -1.504) 7.518 10.080 ( -10.901 -3.845 2.359) 11.798 10.180 ( -12.980 -3.994 -5.721) 14.736 10.458 ( 0.798 4.214 7.602) 8.728 10.577 ( 1.647 8.016 -3.026) 8.725 10.765 ( -3.881 2.877 11.929) 12.870 10.894 ( -2.629 4.361 1.630) 5.347 10.964 ( -10.153 1.797 1.550) 10.427 11.101 ( -2.102 1.118 -4.225) 4.849 11.147 ( 1.936 0.771 4.068) 4.571 11.239 ( -0.806 4.943 -2.065) 5.417 11.514 ( -2.127 -10.669 4.695) 11.849 11.652 ( -2.334 -6.544 -5.877) 9.100 11.758 ( 2.692 -5.694 9.674) 11.544 11.864 ( 0.093 1.181 2.767) 3.009 11.992 ( -1.806 1.855 -8.574) 8.956 12.075 ( 2.249 -7.118 -18.335) 19.797 12.472 ( 1.364 -2.528 4.134) 5.034 12.547 ( 2.896 -2.684 4.941) 6.325 12.611 ( 0.330 0.091 -5.066) 5.078 12.680 ( -0.406 -4.987 -6.277) 8.027 13.102 ( 3.590 -5.088 1.062) 6.317 13.128 ( 1.256 -0.336 -1.709) 2.147 13.369 ( 7.238 -1.358 5.094) 8.954 13.399 ( 3.596 -2.059 1.662) 4.465 13.512 ( -1.265 -11.033 3.098) 11.529 13.635 ( 7.989 -13.823 -8.275) 17.983 13.967 ( -4.790 3.377 3.726) 6.944 14.028 ( -4.167 4.320 -2.775) 6.613 14.494 ( -1.702 8.476 5.209) 10.094 14.552 ( -0.301 1.941 4.494) 4.905 14.612 ( -5.235 10.827 -3.105) 12.420 14.671 ( -2.107 0.850 -3.994) 4.595 14.930 ( -0.383 -0.039 1.612) 1.657 14.981 ( -2.077 2.063 -3.710) 4.726 15.269 ( 0.831 3.497 8.509) 9.237 15.445 ( 2.053 2.992 -9.617) 10.279 15.935 ( 0.746 -1.991 3.864) 4.410 15.986 ( 1.133 -1.412 -1.600) 2.416 16.201 ( 1.825 0.354 3.215) 3.714 16.243 ( 0.238 -0.480 -1.026) 1.157 16.410 ( 2.838 6.329 8.657) 11.093 16.563 ( 1.995 6.026 -6.888) 9.367 16.613 ( -10.834 0.009 5.479) 12.141 16.703 ( -5.858 -1.134 -2.881) 6.626 17.258 ( 2.137 -4.652 8.131) 9.608 17.502 ( 5.379 -7.317 -17.640) 19.841 18.916 ( -0.432 0.666 5.190) 5.251 19.014 ( -0.724 1.523 -5.465) 5.719 19.449 ( 8.431 2.603 4.211) 9.777 19.507 ( 7.154 3.338 -1.195) 7.984 19.592 ( -2.415 -3.336 5.373) 6.770 19.706 ( -2.642 -2.042 -6.246) 7.083 21.173 ( -0.582 -1.207 24.601) 24.638 21.601 ( -0.329 -1.518 -20.129) 20.189 22.701 ( -3.682 11.556 1.671) 12.243 22.735 ( -3.027 11.364 -1.788) 11.896 23.626 ( 6.269 1.397 1.046) 6.508 23.650 ( 5.561 2.521 -1.444) 6.274 23.918 ( -1.438 -6.684 6.582) 9.490 24.044 ( -2.043 -7.994 -6.509) 10.509 ======================= Grid point 241 (39/42) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.455 ( 14.480 25.080 21.388) 36.002 3.539 ( 18.857 32.661 7.496) 38.452 3.758 ( 14.712 25.483 -15.168) 33.104 3.880 ( 11.168 19.343 -22.986) 32.050 5.097 ( 0.149 0.259 8.973) 8.978 5.188 ( -0.469 -0.812 2.194) 2.387 5.208 ( -0.419 -0.726 -1.216) 1.477 5.229 ( -0.818 -1.416 -2.104) 2.665 5.644 ( 1.634 2.829 6.466) 7.244 5.737 ( -1.441 -2.496 -2.544) 3.845 6.188 ( -10.352 -17.930 14.236) 25.126 6.413 ( -10.331 -17.895 -7.586) 22.012 6.536 ( 3.922 6.793 4.763) 9.177 6.628 ( -1.105 -1.914 5.317) 5.759 6.692 ( 5.178 8.969 -11.991) 15.844 6.829 ( 0.278 0.482 -14.140) 14.151 7.239 ( 4.290 7.430 7.575) 11.445 7.333 ( 2.510 4.348 -3.413) 6.071 7.461 ( -1.746 -3.024 15.846) 16.226 7.786 ( -1.713 -2.966 -17.466) 17.799 7.787 ( 1.994 3.454 9.351) 10.166 8.080 ( 2.463 4.265 -18.784) 19.419 8.347 ( -0.464 -0.804 15.910) 15.937 8.465 ( -2.737 -4.741 11.273) 12.532 8.620 ( -1.057 -1.831 -12.218) 12.400 8.768 ( -2.144 -3.714 -19.463) 19.930 9.824 ( 3.588 6.215 12.224) 14.174 9.872 ( -9.141 -15.832 7.432) 19.734 9.947 ( 5.087 8.812 -0.506) 10.188 9.969 ( -3.423 -5.929 -2.293) 7.219 10.239 ( 0.979 1.696 9.778) 9.972 10.353 ( -0.634 -1.098 -1.361) 1.860 10.542 ( -7.734 -13.396 7.498) 17.190 10.666 ( -4.726 -8.186 -2.420) 9.758 10.842 ( -1.063 -1.842 7.649) 7.939 10.864 ( -1.881 -3.257 0.286) 3.772 10.970 ( 2.678 4.638 -7.713) 9.390 11.048 ( -0.319 -0.553 -9.090) 9.113 11.477 ( 1.117 1.934 4.603) 5.117 11.539 ( -2.635 -4.563 8.036) 9.609 11.578 ( 0.985 1.706 -5.105) 5.472 11.721 ( -2.609 -4.519 -7.907) 9.473 11.866 ( -5.875 -10.175 7.909) 14.163 11.971 ( -4.685 -8.115 1.781) 9.538 12.035 ( -4.148 -7.185 -4.650) 9.510 12.096 ( -4.720 -8.175 -14.287) 17.123 12.482 ( -2.758 -4.778 7.021) 8.929 12.517 ( -1.874 -3.246 8.271) 9.080 12.613 ( -1.973 -3.417 -6.045) 7.219 12.653 ( -1.578 -2.733 -3.207) 4.499 12.987 ( -0.393 -0.681 1.357) 1.568 13.089 ( -0.187 -0.324 -7.700) 7.709 13.259 ( 0.813 1.409 3.397) 3.766 13.310 ( -0.040 -0.070 -1.650) 1.652 13.525 ( -3.775 -6.539 3.009) 8.128 13.594 ( -4.033 -6.986 -4.296) 9.139 14.115 ( -0.910 -1.576 1.349) 2.266 14.137 ( -0.062 -0.108 -0.809) 0.818 14.482 ( 2.822 4.887 7.297) 9.225 14.559 ( 1.604 2.779 5.985) 6.791 14.621 ( 3.106 5.380 -6.886) 9.274 14.655 ( 3.507 6.074 -4.037) 8.093 14.969 ( -0.961 -1.664 5.933) 6.237 15.102 ( -1.004 -1.739 -8.271) 8.511 15.121 ( 3.673 6.362 8.986) 11.606 15.263 ( 3.894 6.745 -5.749) 9.680 15.840 ( 3.955 6.851 1.060) 7.982 15.872 ( 2.746 4.756 -2.228) 5.926 16.238 ( -1.434 -2.485 6.832) 7.410 16.305 ( 1.121 1.942 8.790) 9.071 16.335 ( -1.492 -2.584 -3.431) 4.547 16.459 ( 1.886 3.267 -7.353) 8.264 16.889 ( -2.318 -4.015 11.779) 12.658 17.164 ( -1.859 -3.219 3.082) 4.829 17.177 ( -2.649 -4.588 -19.247) 19.963 17.236 ( -1.871 -3.240 -4.292) 5.694 18.931 ( -0.039 -0.068 6.246) 6.246 19.044 ( 0.459 0.796 -5.883) 5.954 19.141 ( 5.559 9.629 3.525) 11.664 19.208 ( 6.210 10.757 -3.481) 12.899 19.606 ( 0.370 0.641 8.449) 8.482 19.743 ( 0.293 0.507 -5.983) 6.011 21.227 ( -2.137 -3.701 24.239) 24.613 21.646 ( -1.895 -3.282 -19.513) 19.878 22.667 ( 7.071 12.247 0.481) 14.150 22.676 ( 7.484 12.962 -0.470) 14.975 23.385 ( 2.884 4.995 1.852) 6.057 23.431 ( 3.082 5.338 -2.954) 6.835 24.012 ( -2.399 -4.156 9.219) 10.394 24.187 ( -4.009 -6.944 -9.131) 12.152 ======================= Grid point 242 (40/42) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( 16.414 19.918 14.139) 29.429 4.178 ( 14.986 24.942 0.717) 29.106 4.264 ( 14.600 19.567 -7.858) 25.647 4.344 ( 18.431 16.050 -10.595) 26.638 4.947 ( -11.135 -5.197 2.686) 12.578 4.996 ( -12.221 -4.103 -1.483) 12.976 5.167 ( -1.218 -6.452 3.748) 7.560 5.241 ( 0.089 0.267 -3.479) 3.491 5.535 ( -7.644 -8.303 8.416) 14.079 5.707 ( -2.838 -3.564 -8.372) 9.531 5.811 ( -5.493 -17.709 9.741) 20.944 6.017 ( -9.197 -17.161 -10.565) 22.152 6.593 ( -0.887 4.282 7.018) 8.269 6.657 ( 1.871 -0.799 8.320) 8.565 6.769 ( -1.038 2.422 -6.193) 6.730 6.839 ( -0.359 -4.703 -7.143) 8.559 7.328 ( 0.539 4.010 5.040) 6.463 7.391 ( 0.029 4.239 -2.021) 4.696 7.538 ( 8.441 1.908 10.512) 13.616 7.823 ( 5.047 1.964 -16.485) 17.352 7.881 ( 4.605 -3.513 5.481) 7.974 8.121 ( 3.020 -3.585 -14.162) 14.918 8.314 ( 0.370 -6.339 13.254) 14.696 8.554 ( -0.575 -7.855 -11.419) 13.872 8.588 ( 7.660 14.566 11.823) 20.264 8.896 ( 6.423 15.574 -17.564) 24.337 9.485 ( -10.669 -14.911 13.231) 22.611 9.688 ( -11.096 -12.291 -7.646) 18.239 9.895 ( 0.236 3.244 9.810) 10.335 10.057 ( -2.887 5.056 -5.763) 8.192 10.285 ( -8.196 5.271 8.076) 12.657 10.333 ( -6.505 0.272 2.872) 7.116 10.461 ( 6.175 9.451 5.721) 12.656 10.591 ( 3.430 -0.956 -8.406) 9.129 10.803 ( -0.179 3.487 13.087) 13.545 10.890 ( 4.923 0.726 8.262) 9.645 11.054 ( 3.310 -1.101 -3.060) 4.640 11.103 ( 3.013 4.093 -4.835) 7.015 11.333 ( -14.528 1.215 3.844) 15.077 11.419 ( -8.965 0.087 -1.358) 9.068 11.522 ( -9.909 -3.079 0.310) 10.381 11.620 ( -2.906 -6.166 -8.792) 11.125 11.676 ( -2.601 -6.451 6.202) 9.319 11.867 ( 1.243 -4.558 3.596) 5.937 11.943 ( 0.067 -6.802 -14.210) 15.754 11.987 ( 2.119 -5.135 -11.098) 12.411 12.397 ( 2.258 -7.740 7.401) 10.944 12.451 ( -0.349 -4.188 7.457) 8.560 12.556 ( 0.608 -3.810 -5.296) 6.553 12.631 ( 1.578 -3.626 -7.301) 8.303 12.956 ( 1.067 -6.638 4.032) 7.840 13.094 ( 1.228 -0.791 -8.001) 8.133 13.297 ( 1.627 1.221 2.966) 3.596 13.329 ( 1.787 -0.221 0.136) 1.805 13.426 ( 0.573 -7.026 1.269) 7.163 13.465 ( -1.961 -6.844 -2.877) 7.678 14.057 ( -2.916 -0.987 3.077) 4.353 14.114 ( -2.022 0.458 -2.908) 3.572 14.568 ( 0.235 5.615 8.670) 10.332 14.605 ( -0.172 4.413 8.465) 9.548 14.722 ( 0.674 5.179 -5.103) 7.302 14.774 ( 1.071 8.379 -7.021) 10.984 14.931 ( -0.658 -1.667 4.100) 4.475 15.045 ( -3.456 -0.238 -7.749) 8.488 15.264 ( 4.176 4.630 9.039) 10.981 15.430 ( 5.194 7.448 -7.316) 11.661 15.925 ( 1.033 1.552 1.349) 2.301 15.950 ( 1.533 1.534 -1.058) 2.413 16.177 ( -0.983 -3.341 6.086) 7.013 16.255 ( -3.023 -2.941 -2.226) 4.769 16.412 ( 4.606 7.550 8.860) 12.519 16.557 ( 3.645 4.575 -5.615) 8.108 16.803 ( -5.827 0.669 5.284) 7.894 16.909 ( -16.142 2.626 -3.540) 16.733 17.153 ( 1.561 -7.269 -0.012) 7.435 17.256 ( 9.388 -11.912 -11.362) 18.951 18.927 ( -0.250 0.058 6.884) 6.889 19.050 ( -0.846 1.662 -6.312) 6.581 19.338 ( 7.033 5.040 4.405) 9.709 19.422 ( 6.770 6.572 -4.223) 10.337 19.592 ( -1.139 -2.165 7.244) 7.646 19.723 ( -1.597 -2.043 -6.347) 6.857 21.171 ( -0.964 -1.711 24.179) 24.259 21.593 ( -0.864 -1.901 -19.891) 20.000 22.898 ( 0.865 15.948 1.361) 16.029 22.924 ( 1.291 16.930 -1.349) 17.032 23.503 ( 6.921 1.278 2.238) 7.385 23.552 ( 6.306 2.223 -2.833) 7.262 23.882 ( -3.987 -8.956 6.422) 11.719 24.003 ( -5.128 -11.284 -6.255) 13.884 ======================= Grid point 243 (41/42) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.355 ( -2.731 4.731 8.377) 10.001 4.494 ( -3.489 6.043 -4.758) 8.445 4.552 ( -0.852 1.475 4.321) 4.644 4.668 ( -1.505 2.607 -7.543) 8.121 4.715 ( -2.763 4.785 5.951) 8.121 4.859 ( -3.443 5.964 -8.331) 10.809 5.052 ( -0.645 1.118 9.140) 9.231 5.193 ( -3.625 6.278 -2.207) 7.578 5.378 ( 3.287 -5.694 5.576) 8.621 5.610 ( 1.822 -3.156 -15.277) 15.706 5.678 ( 6.957 -12.051 8.163) 16.132 5.841 ( 6.181 -10.707 -7.871) 14.656 6.625 ( -0.298 0.516 5.578) 5.610 6.658 ( 1.555 -2.694 9.935) 10.410 6.764 ( -0.213 0.369 0.550) 0.696 6.783 ( -1.133 1.963 -10.047) 10.300 7.353 ( -1.228 2.128 3.263) 4.084 7.419 ( -1.883 3.261 -3.215) 4.951 7.653 ( 0.432 -0.747 6.739) 6.794 7.900 ( 5.169 -8.953 8.441) 13.346 7.909 ( -0.429 0.743 -17.433) 17.454 8.140 ( 4.409 -7.637 -15.683) 17.992 8.249 ( 6.861 -11.884 11.819) 18.111 8.480 ( 6.986 -12.100 -11.855) 18.324 8.831 ( -7.663 13.273 14.759) 21.278 9.092 ( -6.704 11.611 -11.001) 17.343 9.266 ( 0.984 -1.705 16.149) 16.268 9.484 ( 2.044 -3.540 -6.067) 7.315 9.976 ( -1.603 2.776 3.943) 5.082 10.100 ( -2.696 4.669 -8.126) 9.752 10.122 ( -3.307 5.729 2.528) 7.081 10.168 ( -4.420 7.656 -1.436) 8.956 10.600 ( -2.432 4.211 9.622) 10.781 10.726 ( -1.488 2.577 1.231) 3.221 10.917 ( -4.417 7.651 14.261) 16.775 10.966 ( -1.550 2.684 3.090) 4.376 11.058 ( 1.769 -3.065 6.463) 7.368 11.067 ( -5.678 9.834 -3.829) 11.983 11.225 ( -3.071 5.319 6.939) 9.267 11.330 ( -1.997 3.459 -1.993) 4.464 11.332 ( 1.932 -3.346 -7.017) 8.010 11.529 ( 2.037 -3.529 -16.130) 16.636 11.605 ( 4.095 -7.092 10.087) 12.993 11.875 ( 2.036 -3.526 4.073) 5.759 11.905 ( 4.259 -7.377 -19.259) 21.059 11.994 ( 1.469 -2.544 -8.141) 8.655 12.403 ( 6.111 -10.584 7.820) 14.509 12.411 ( 2.019 -3.496 8.048) 9.004 12.548 ( 2.048 -3.548 -5.163) 6.591 12.626 ( 0.413 -0.716 -13.181) 13.207 12.919 ( 5.385 -9.328 8.836) 13.932 13.102 ( 1.191 -2.063 -8.846) 9.161 13.335 ( 0.890 -1.542 3.768) 4.167 13.349 ( 1.070 -1.853 3.096) 3.763 13.387 ( 1.094 -1.895 -0.996) 2.404 13.402 ( 3.616 -6.263 -4.009) 8.269 14.021 ( -0.536 0.928 3.973) 4.115 14.096 ( -0.911 1.577 -3.823) 4.235 14.592 ( -2.385 4.131 9.526) 10.654 14.648 ( -2.589 4.484 10.890) 12.058 14.733 ( -3.279 5.680 -4.727) 8.084 14.853 ( -4.942 8.560 -9.751) 13.884 14.915 ( 0.919 -1.591 2.358) 2.989 14.999 ( 0.308 -0.533 -6.748) 6.776 15.332 ( -1.001 1.734 10.195) 10.389 15.537 ( -2.913 5.045 -10.036) 11.604 15.927 ( -0.856 1.483 4.208) 4.543 15.973 ( -0.491 0.850 -0.888) 1.323 16.149 ( 2.370 -4.104 4.438) 6.493 16.203 ( 1.712 -2.965 -1.428) 3.709 16.603 ( -1.188 2.057 4.359) 4.964 16.618 ( -4.852 8.404 6.710) 11.798 16.663 ( -1.160 2.009 -1.051) 2.546 16.754 ( -4.421 7.658 -7.127) 11.357 17.128 ( 4.331 -7.501 3.459) 9.327 17.279 ( 7.680 -13.302 -12.607) 19.871 18.925 ( -0.068 0.118 7.028) 7.030 19.051 ( -1.015 1.759 -6.474) 6.785 19.463 ( 0.719 -1.245 4.706) 4.920 19.536 ( 0.375 -0.649 6.995) 7.035 19.550 ( -0.198 0.343 -4.190) 4.209 19.670 ( 0.601 -1.041 -6.993) 7.096 21.154 ( 0.313 -0.541 24.116) 24.124 21.575 ( 0.478 -0.829 -19.911) 19.934 22.994 ( -8.748 15.151 1.933) 17.602 23.032 ( -9.137 15.826 -1.968) 18.379 23.632 ( 0.916 -1.586 2.153) 2.827 23.677 ( 0.419 -0.725 -2.453) 2.592 23.734 ( 5.487 -9.503 5.351) 12.208 23.837 ( 6.091 -10.550 -5.284) 13.279 ======================= Grid point 253 (42/42) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.361 ( 9.080 15.727 9.973) 20.718 4.550 ( 6.058 10.492 -9.344) 15.300 4.583 ( 2.653 4.594 4.070) 6.687 4.651 ( 4.376 7.580 -1.009) 8.810 4.828 ( -2.167 -3.752 4.105) 5.969 4.959 ( 3.115 5.395 -7.052) 9.410 5.048 ( -2.444 -4.234 11.920) 12.883 5.283 ( 1.445 2.503 -11.730) 12.080 5.377 ( -3.513 -6.085 9.881) 12.125 5.485 ( -6.228 -10.787 8.757) 15.226 5.593 ( -2.974 -5.150 -11.327) 12.794 5.691 ( -6.714 -11.630 -10.854) 17.267 6.623 ( -0.021 -0.037 7.589) 7.589 6.631 ( -0.453 -0.785 9.200) 9.245 6.787 ( -0.357 -0.618 -7.996) 8.027 6.787 ( -0.472 -0.817 -5.898) 5.973 7.382 ( 0.849 1.471 3.521) 3.910 7.471 ( 1.651 2.860 -5.606) 6.506 7.664 ( 5.095 8.826 11.261) 15.188 7.776 ( -2.186 -3.786 7.313) 8.520 7.942 ( 4.348 7.531 -16.381) 18.546 8.042 ( -1.411 -2.444 -18.733) 18.945 8.081 ( -7.209 -12.487 11.917) 18.706 8.317 ( -6.769 -11.724 -12.024) 18.107 8.981 ( 9.621 16.663 15.762) 24.873 9.223 ( 6.560 11.362 -8.067) 15.402 9.253 ( -4.274 -7.403 15.190) 17.430 9.454 ( -5.084 -8.805 -5.947) 11.779 9.997 ( 4.271 7.397 4.393) 9.605 10.146 ( 4.095 7.093 -9.688) 12.686 10.198 ( -4.243 -7.349 6.575) 10.735 10.402 ( -5.139 -8.902 -14.830) 18.044 10.540 ( 1.284 2.223 17.296) 17.486 10.702 ( 2.688 4.656 2.468) 5.915 10.946 ( 6.390 11.067 9.655) 16.016 10.970 ( 3.418 5.919 23.405) 24.383 11.078 ( 2.793 4.838 3.812) 6.763 11.234 ( 3.448 5.972 -2.919) 7.489 11.292 ( -0.844 -1.461 -3.844) 4.198 11.350 ( -2.276 -3.943 0.742) 4.613 11.467 ( -4.458 -7.722 -14.108) 16.690 11.476 ( -4.220 -7.310 -11.347) 14.142 11.562 ( -1.288 -2.231 7.385) 7.822 11.709 ( -4.328 -7.497 5.265) 10.132 11.845 ( -1.808 -3.132 -19.677) 20.007 11.889 ( -1.821 -3.154 -15.632) 16.051 12.277 ( -0.315 -0.546 14.706) 14.720 12.359 ( -2.539 -4.397 11.124) 12.228 12.535 ( 0.932 1.615 -12.438) 12.577 12.594 ( -0.514 -0.891 -10.553) 10.603 12.820 ( -2.854 -4.943 11.605) 12.933 13.073 ( -0.482 -0.834 -13.235) 13.270 13.315 ( 0.332 0.574 2.763) 2.842 13.337 ( -1.092 -1.891 2.900) 3.630 13.343 ( 0.525 0.909 -0.098) 1.054 13.374 ( -1.301 -2.254 -1.077) 2.817 14.023 ( -0.755 -1.309 4.230) 4.491 14.108 ( -0.295 -0.511 -4.533) 4.571 14.674 ( 1.907 3.302 11.789) 12.391 14.675 ( 1.271 2.201 12.726) 12.977 14.835 ( 2.334 4.042 -2.827) 5.457 14.884 ( -0.871 -1.509 1.569) 2.345 14.913 ( 2.597 4.497 -12.304) 13.355 15.000 ( -2.145 -3.715 -11.109) 11.908 15.345 ( 1.410 2.442 14.318) 14.593 15.597 ( 3.524 6.104 -11.081) 13.133 15.968 ( 1.308 2.265 3.422) 4.307 16.005 ( 2.322 4.022 -0.679) 4.694 16.079 ( -2.787 -4.827 6.232) 8.361 16.154 ( -3.305 -5.725 -1.977) 6.900 16.596 ( 2.630 4.555 5.544) 7.643 16.653 ( 5.218 9.037 1.819) 10.592 16.851 ( 1.248 2.161 -2.524) 3.549 16.936 ( -2.791 -4.834 -10.427) 11.827 16.947 ( -3.908 -6.768 4.574) 9.056 17.049 ( -3.407 -5.901 -5.789) 8.941 18.925 ( -0.077 -0.134 8.067) 8.069 19.073 ( 0.293 0.507 -7.620) 7.642 19.440 ( 2.580 4.468 5.662) 7.660 19.535 ( -1.882 -3.260 6.653) 7.644 19.549 ( 3.054 5.290 -5.687) 8.346 19.662 ( -2.109 -3.653 -6.517) 7.763 21.149 ( -0.289 -0.500 23.895) 23.902 21.567 ( -0.355 -0.615 -19.819) 19.832 23.227 ( 7.914 13.708 2.713) 16.059 23.278 ( 8.625 14.940 -2.641) 17.452 23.514 ( -0.302 -0.522 3.418) 3.471 23.578 ( -0.021 -0.036 -2.940) 2.940 23.666 ( -5.562 -9.634 3.172) 11.567 23.737 ( -7.211 -12.490 -3.905) 14.941 =================== 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 3/45000 10.0 1624.188 1624.188 1489.779 0.000 -0.000 0.000 3/45000 20.0 2241.457 2241.457 2819.846 0.000 -0.000 0.000 3/45000 30.0 1009.030 1009.030 1195.042 0.000 -0.000 0.000 3/45000 40.0 441.199 441.199 512.453 0.000 -0.000 0.000 3/45000 50.0 228.922 228.922 261.314 0.000 -0.000 0.000 3/45000 60.0 136.394 136.394 152.577 0.000 -0.000 0.000 3/45000 70.0 89.297 89.297 98.211 -0.000 -0.000 0.000 3/45000 80.0 62.635 62.635 68.010 -0.000 -0.000 0.000 3/45000 90.0 46.344 46.344 49.849 -0.000 -0.000 0.000 3/45000 100.0 35.783 35.783 38.223 -0.000 -0.000 0.000 3/45000 110.0 28.602 28.602 30.392 -0.000 -0.000 0.000 3/45000 120.0 23.518 23.518 24.892 -0.000 -0.000 0.000 3/45000 130.0 19.796 19.796 20.889 -0.000 -0.000 0.000 3/45000 140.0 16.992 16.992 17.887 -0.000 -0.000 0.000 3/45000 150.0 14.826 14.826 15.577 -0.000 -0.000 0.000 3/45000 160.0 13.115 13.115 13.761 -0.000 -0.000 0.000 3/45000 170.0 11.740 11.740 12.303 -0.000 -0.000 0.000 3/45000 180.0 10.614 10.614 11.114 -0.000 -0.000 0.000 3/45000 190.0 9.681 9.681 10.130 -0.000 -0.000 0.000 3/45000 200.0 8.895 8.895 9.304 -0.000 -0.000 0.000 3/45000 210.0 8.227 8.227 8.602 -0.000 -0.000 0.000 3/45000 220.0 7.653 7.653 8.000 -0.000 -0.000 0.000 3/45000 230.0 7.154 7.154 7.478 -0.000 -0.000 0.000 3/45000 240.0 6.718 6.718 7.021 -0.000 -0.000 0.000 3/45000 250.0 6.333 6.333 6.619 -0.000 -0.000 0.000 3/45000 260.0 5.991 5.991 6.263 -0.000 -0.000 0.000 3/45000 270.0 5.686 5.686 5.944 -0.000 -0.000 0.000 3/45000 280.0 5.411 5.411 5.658 -0.000 -0.000 0.000 3/45000 290.0 5.163 5.163 5.400 -0.000 -0.000 0.000 3/45000 300.0 4.938 4.938 5.165 -0.000 -0.000 0.000 3/45000 310.0 4.732 4.732 4.951 -0.000 -0.000 0.000 3/45000 320.0 4.544 4.544 4.755 -0.000 -0.000 0.000 3/45000 330.0 4.371 4.371 4.575 -0.000 -0.000 0.000 3/45000 340.0 4.211 4.211 4.409 -0.000 -0.000 0.000 3/45000 350.0 4.063 4.063 4.255 -0.000 -0.000 0.000 3/45000 360.0 3.926 3.926 4.112 -0.000 -0.000 0.000 3/45000 370.0 3.798 3.798 3.980 -0.000 -0.000 0.000 3/45000 380.0 3.679 3.679 3.855 -0.000 -0.000 0.000 3/45000 390.0 3.567 3.567 3.739 -0.000 -0.000 0.000 3/45000 400.0 3.463 3.463 3.630 -0.000 -0.000 0.000 3/45000 410.0 3.364 3.364 3.528 -0.000 -0.000 0.000 3/45000 420.0 3.271 3.271 3.431 -0.000 -0.000 0.000 3/45000 430.0 3.184 3.184 3.340 -0.000 -0.000 0.000 3/45000 440.0 3.101 3.101 3.254 -0.000 -0.000 0.000 3/45000 450.0 3.023 3.023 3.173 -0.000 -0.000 0.000 3/45000 460.0 2.949 2.949 3.095 -0.000 -0.000 0.000 3/45000 470.0 2.878 2.878 3.022 -0.000 -0.000 0.000 3/45000 480.0 2.811 2.811 2.952 -0.000 -0.000 0.000 3/45000 490.0 2.747 2.747 2.885 -0.000 -0.000 0.000 3/45000 500.0 2.686 2.686 2.822 -0.000 -0.000 0.000 3/45000 510.0 2.628 2.628 2.761 -0.000 -0.000 0.000 3/45000 520.0 2.572 2.572 2.703 -0.000 -0.000 0.000 3/45000 530.0 2.519 2.519 2.647 -0.000 -0.000 0.000 3/45000 540.0 2.468 2.468 2.594 -0.000 -0.000 0.000 3/45000 550.0 2.419 2.419 2.543 -0.000 -0.000 0.000 3/45000 560.0 2.372 2.372 2.494 -0.000 -0.000 0.000 3/45000 570.0 2.327 2.327 2.447 -0.000 -0.000 0.000 3/45000 580.0 2.284 2.284 2.402 -0.000 -0.000 0.000 3/45000 590.0 2.242 2.242 2.358 -0.000 -0.000 0.000 3/45000 600.0 2.202 2.202 2.317 -0.000 -0.000 0.000 3/45000 610.0 2.163 2.163 2.276 -0.000 -0.000 0.000 3/45000 620.0 2.126 2.126 2.237 -0.000 -0.000 0.000 3/45000 630.0 2.090 2.090 2.199 -0.000 -0.000 0.000 3/45000 640.0 2.055 2.055 2.163 -0.000 -0.000 0.000 3/45000 650.0 2.022 2.022 2.128 -0.000 -0.000 0.000 3/45000 660.0 1.989 1.989 2.094 -0.000 -0.000 0.000 3/45000 670.0 1.958 1.958 2.061 -0.000 -0.000 0.000 3/45000 680.0 1.927 1.927 2.029 -0.000 -0.000 0.000 3/45000 690.0 1.898 1.898 1.998 -0.000 -0.000 0.000 3/45000 700.0 1.869 1.869 1.968 -0.000 -0.000 0.000 3/45000 710.0 1.842 1.842 1.940 -0.000 -0.000 0.000 3/45000 720.0 1.815 1.815 1.911 -0.000 -0.000 0.000 3/45000 730.0 1.789 1.789 1.884 -0.000 -0.000 0.000 3/45000 740.0 1.763 1.763 1.858 -0.000 -0.000 0.000 3/45000 750.0 1.739 1.739 1.832 -0.000 -0.000 0.000 3/45000 760.0 1.715 1.715 1.807 -0.000 -0.000 0.000 3/45000 770.0 1.692 1.692 1.782 -0.000 -0.000 0.000 3/45000 780.0 1.669 1.669 1.759 -0.000 -0.000 0.000 3/45000 790.0 1.647 1.647 1.736 -0.000 -0.000 0.000 3/45000 800.0 1.626 1.626 1.713 -0.000 -0.000 0.000 3/45000 810.0 1.605 1.605 1.691 -0.000 -0.000 0.000 3/45000 820.0 1.585 1.585 1.670 -0.000 -0.000 0.000 3/45000 830.0 1.565 1.565 1.649 -0.000 -0.000 0.000 3/45000 840.0 1.546 1.546 1.629 -0.000 -0.000 0.000 3/45000 850.0 1.527 1.527 1.609 -0.000 -0.000 0.000 3/45000 860.0 1.508 1.508 1.590 -0.000 -0.000 0.000 3/45000 870.0 1.490 1.490 1.571 -0.000 -0.000 0.000 3/45000 880.0 1.473 1.473 1.553 -0.000 -0.000 0.000 3/45000 890.0 1.456 1.456 1.535 -0.000 -0.000 0.000 3/45000 900.0 1.439 1.439 1.517 -0.000 -0.000 0.000 3/45000 910.0 1.423 1.423 1.500 -0.000 -0.000 0.000 3/45000 920.0 1.407 1.407 1.484 -0.000 -0.000 0.000 3/45000 930.0 1.391 1.391 1.467 -0.000 -0.000 0.000 3/45000 940.0 1.376 1.376 1.451 -0.000 -0.000 0.000 3/45000 950.0 1.361 1.361 1.436 -0.000 -0.000 0.000 3/45000 960.0 1.347 1.347 1.420 -0.000 -0.000 0.000 3/45000 970.0 1.333 1.333 1.405 -0.000 -0.000 0.000 3/45000 980.0 1.319 1.319 1.391 -0.000 -0.000 0.000 3/45000 990.0 1.305 1.305 1.376 -0.000 -0.000 0.000 3/45000 1000.0 1.292 1.292 1.362 -0.000 -0.000 0.000 3/45000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:50:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|