----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:19:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.533914180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.702155430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.638666400000000 Atomic positions (fractional): *1 O 0.78184761782056 0.55457745473481 0.34385951074696 15.999 2 O 0.71815238217944 0.44542254526519 0.84385951074696 15.999 3 O 0.21815238217944 0.05457745473481 0.65614048925304 15.999 4 O 0.28184761782056 0.94542254526519 0.15614048925304 15.999 5 O 0.21815238217944 0.44542254526519 0.65614048925304 15.999 6 O 0.28184761782056 0.55457745473481 0.15614048925304 15.999 7 O 0.78184761782056 0.94542254526519 0.34385951074696 15.999 8 O 0.71815238217944 0.05457745473481 0.84385951074696 15.999 *9 O 0.58506629327106 0.46027665114957 0.26276101752911 15.999 10 O 0.91493370672894 0.53972334885043 0.76276101752911 15.999 11 O 0.41493370672893 0.96027665114957 0.73723898247089 15.999 12 O 0.08506629327107 0.03972334885043 0.23723898247089 15.999 *13 O 0.84050056325549 0.25000000000000 0.54625543154337 15.999 14 O 0.65949943674451 0.75000000000000 0.04625543154337 15.999 15 O 0.15949943674451 0.75000000000000 0.45374456845663 15.999 16 O 0.34050056325549 0.25000000000000 0.95374456845663 15.999 17 O 0.91493370672894 0.96027665114957 0.76276101752911 15.999 18 O 0.58506629327106 0.03972334885043 0.26276101752911 15.999 19 O 0.08506629327107 0.46027665114957 0.23723898247089 15.999 20 O 0.41493370672893 0.53972334885043 0.73723898247089 15.999 *21 Si 0.68262621918230 0.54729134059119 0.13847581000521 28.085 22 Si 0.81737378081770 0.45270865940881 0.63847581000521 28.085 23 Si 0.31737378081770 0.04729134059119 0.86152418999479 28.085 24 Si 0.18262621918230 0.95270865940881 0.36152418999479 28.085 25 Si 0.31737378081770 0.45270865940881 0.86152418999479 28.085 26 Si 0.18262621918230 0.54729134059119 0.36152418999479 28.085 27 Si 0.68262621918230 0.95270865940881 0.13847581000521 28.085 28 Si 0.81737378081770 0.04729134059119 0.63847581000521 28.085 *29 Ba 0.04340371620674 0.25000000000000 0.78303632694065 137.327 30 Ba 0.45659628379326 0.75000000000000 0.28303632694065 137.327 31 Ba 0.95659628379326 0.75000000000000 0.21696367305935 137.327 32 Ba 0.54340371620674 0.25000000000000 0.71696367305935 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.533914180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.702155430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.638666400000000 Atomic positions (fractional): *1 O 0.78184761782056 0.55457745473481 0.34385951074696 15.999 > 1 2 O 0.71815238217944 0.44542254526519 0.84385951074696 15.999 > 2 3 O 0.21815238217944 0.05457745473481 0.65614048925304 15.999 > 3 4 O 0.28184761782056 0.94542254526519 0.15614048925304 15.999 > 4 5 O 0.21815238217944 0.44542254526519 0.65614048925304 15.999 > 5 6 O 0.28184761782056 0.55457745473481 0.15614048925304 15.999 > 6 7 O 0.78184761782056 0.94542254526519 0.34385951074696 15.999 > 7 8 O 0.71815238217944 0.05457745473481 0.84385951074696 15.999 > 8 *9 O 0.58506629327106 0.46027665114957 0.26276101752911 15.999 > 9 10 O 0.91493370672894 0.53972334885043 0.76276101752911 15.999 > 10 11 O 0.41493370672893 0.96027665114957 0.73723898247089 15.999 > 11 12 O 0.08506629327107 0.03972334885043 0.23723898247089 15.999 > 12 *13 O 0.84050056325549 0.25000000000000 0.54625543154337 15.999 > 13 14 O 0.65949943674451 0.75000000000000 0.04625543154337 15.999 > 14 15 O 0.15949943674451 0.75000000000000 0.45374456845663 15.999 > 15 16 O 0.34050056325549 0.25000000000000 0.95374456845663 15.999 > 16 17 O 0.91493370672894 0.96027665114957 0.76276101752911 15.999 > 17 18 O 0.58506629327106 0.03972334885043 0.26276101752911 15.999 > 18 19 O 0.08506629327107 0.46027665114957 0.23723898247089 15.999 > 19 20 O 0.41493370672893 0.53972334885043 0.73723898247089 15.999 > 20 *21 Si 0.68262621918230 0.54729134059119 0.13847581000521 28.085 > 21 22 Si 0.81737378081770 0.45270865940881 0.63847581000521 28.085 > 22 23 Si 0.31737378081770 0.04729134059119 0.86152418999479 28.085 > 23 24 Si 0.18262621918230 0.95270865940881 0.36152418999479 28.085 > 24 25 Si 0.31737378081770 0.45270865940881 0.86152418999479 28.085 > 25 26 Si 0.18262621918230 0.54729134059119 0.36152418999479 28.085 > 26 27 Si 0.68262621918230 0.95270865940881 0.13847581000521 28.085 > 27 28 Si 0.81737378081770 0.04729134059119 0.63847581000521 28.085 > 28 *29 Ba 0.04340371620674 0.25000000000000 0.78303632694065 137.327 > 29 30 Ba 0.45659628379326 0.75000000000000 0.28303632694065 137.327 > 30 31 Ba 0.95659628379326 0.75000000000000 0.21696367305935 137.327 > 31 32 Ba 0.54340371620674 0.25000000000000 0.71696367305935 137.327 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.533914180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.404310860000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.277332800000000 Atomic positions (fractional): *1 O 0.78184761782056 0.27728872736741 0.17192975537348 15.999 > 1 2 O 0.78184761782056 0.77728872736741 0.17192975537348 15.999 > 1 3 O 0.78184761782056 0.27728872736741 0.67192975537348 15.999 > 1 4 O 0.78184761782056 0.77728872736741 0.67192975537348 15.999 > 1 5 O 0.71815238217944 0.22271127263259 0.42192975537348 15.999 > 2 6 O 0.71815238217944 0.72271127263259 0.42192975537348 15.999 > 2 7 O 0.71815238217944 0.22271127263259 0.92192975537348 15.999 > 2 8 O 0.71815238217944 0.72271127263259 0.92192975537348 15.999 > 2 9 O 0.21815238217944 0.02728872736741 0.32807024462652 15.999 > 3 10 O 0.21815238217944 0.52728872736741 0.32807024462652 15.999 > 3 11 O 0.21815238217944 0.02728872736741 0.82807024462652 15.999 > 3 12 O 0.21815238217944 0.52728872736741 0.82807024462652 15.999 > 3 13 O 0.28184761782056 0.47271127263259 0.07807024462652 15.999 > 4 14 O 0.28184761782056 0.97271127263259 0.07807024462652 15.999 > 4 15 O 0.28184761782056 0.47271127263259 0.57807024462652 15.999 > 4 16 O 0.28184761782056 0.97271127263259 0.57807024462652 15.999 > 4 17 O 0.21815238217944 0.22271127263259 0.32807024462652 15.999 > 5 18 O 0.21815238217944 0.72271127263259 0.32807024462652 15.999 > 5 19 O 0.21815238217944 0.22271127263259 0.82807024462652 15.999 > 5 20 O 0.21815238217944 0.72271127263259 0.82807024462652 15.999 > 5 21 O 0.28184761782056 0.27728872736741 0.07807024462652 15.999 > 6 22 O 0.28184761782056 0.77728872736741 0.07807024462652 15.999 > 6 23 O 0.28184761782056 0.27728872736741 0.57807024462652 15.999 > 6 24 O 0.28184761782056 0.77728872736741 0.57807024462652 15.999 > 6 25 O 0.78184761782056 0.47271127263259 0.17192975537348 15.999 > 7 26 O 0.78184761782056 0.97271127263259 0.17192975537348 15.999 > 7 27 O 0.78184761782056 0.47271127263259 0.67192975537348 15.999 > 7 28 O 0.78184761782056 0.97271127263259 0.67192975537348 15.999 > 7 29 O 0.71815238217944 0.02728872736741 0.42192975537348 15.999 > 8 30 O 0.71815238217944 0.52728872736741 0.42192975537348 15.999 > 8 31 O 0.71815238217944 0.02728872736741 0.92192975537348 15.999 > 8 32 O 0.71815238217944 0.52728872736741 0.92192975537348 15.999 > 8 *33 O 0.58506629327106 0.23013832557478 0.13138050876456 15.999 > 9 34 O 0.58506629327106 0.73013832557478 0.13138050876456 15.999 > 9 35 O 0.58506629327106 0.23013832557478 0.63138050876456 15.999 > 9 36 O 0.58506629327106 0.73013832557478 0.63138050876456 15.999 > 9 37 O 0.91493370672894 0.26986167442522 0.38138050876456 15.999 > 10 38 O 0.91493370672894 0.76986167442522 0.38138050876456 15.999 > 10 39 O 0.91493370672894 0.26986167442522 0.88138050876456 15.999 > 10 40 O 0.91493370672894 0.76986167442522 0.88138050876456 15.999 > 10 41 O 0.41493370672893 0.48013832557478 0.36861949123544 15.999 > 11 42 O 0.41493370672893 0.98013832557478 0.36861949123544 15.999 > 11 43 O 0.41493370672893 0.48013832557478 0.86861949123544 15.999 > 11 44 O 0.41493370672893 0.98013832557478 0.86861949123544 15.999 > 11 45 O 0.08506629327107 0.01986167442522 0.11861949123544 15.999 > 12 46 O 0.08506629327107 0.51986167442522 0.11861949123544 15.999 > 12 47 O 0.08506629327107 0.01986167442522 0.61861949123544 15.999 > 12 48 O 0.08506629327107 0.51986167442522 0.61861949123544 15.999 > 12 *49 O 0.84050056325549 0.12500000000000 0.27312771577168 15.999 > 13 50 O 0.84050056325549 0.62500000000000 0.27312771577168 15.999 > 13 51 O 0.84050056325549 0.12500000000000 0.77312771577168 15.999 > 13 52 O 0.84050056325549 0.62500000000000 0.77312771577168 15.999 > 13 53 O 0.65949943674451 0.37500000000000 0.02312771577168 15.999 > 14 54 O 0.65949943674451 0.87500000000000 0.02312771577168 15.999 > 14 55 O 0.65949943674451 0.37500000000000 0.52312771577168 15.999 > 14 56 O 0.65949943674451 0.87500000000000 0.52312771577168 15.999 > 14 57 O 0.15949943674451 0.37500000000000 0.22687228422832 15.999 > 15 58 O 0.15949943674451 0.87500000000000 0.22687228422832 15.999 > 15 59 O 0.15949943674451 0.37500000000000 0.72687228422832 15.999 > 15 60 O 0.15949943674451 0.87500000000000 0.72687228422832 15.999 > 15 61 O 0.34050056325549 0.12500000000000 0.47687228422832 15.999 > 16 62 O 0.34050056325549 0.62500000000000 0.47687228422832 15.999 > 16 63 O 0.34050056325549 0.12500000000000 0.97687228422832 15.999 > 16 64 O 0.34050056325549 0.62500000000000 0.97687228422832 15.999 > 16 65 O 0.91493370672894 0.48013832557478 0.38138050876456 15.999 > 17 66 O 0.91493370672894 0.98013832557478 0.38138050876456 15.999 > 17 67 O 0.91493370672894 0.48013832557478 0.88138050876456 15.999 > 17 68 O 0.91493370672894 0.98013832557478 0.88138050876456 15.999 > 17 69 O 0.58506629327106 0.01986167442522 0.13138050876456 15.999 > 18 70 O 0.58506629327106 0.51986167442522 0.13138050876456 15.999 > 18 71 O 0.58506629327106 0.01986167442522 0.63138050876456 15.999 > 18 72 O 0.58506629327106 0.51986167442522 0.63138050876456 15.999 > 18 73 O 0.08506629327107 0.23013832557478 0.11861949123544 15.999 > 19 74 O 0.08506629327107 0.73013832557478 0.11861949123544 15.999 > 19 75 O 0.08506629327107 0.23013832557478 0.61861949123544 15.999 > 19 76 O 0.08506629327107 0.73013832557478 0.61861949123544 15.999 > 19 77 O 0.41493370672893 0.26986167442522 0.36861949123544 15.999 > 20 78 O 0.41493370672893 0.76986167442522 0.36861949123544 15.999 > 20 79 O 0.41493370672893 0.26986167442522 0.86861949123544 15.999 > 20 80 O 0.41493370672893 0.76986167442522 0.86861949123544 15.999 > 20 *81 Si 0.68262621918230 0.27364567029560 0.06923790500261 28.085 > 21 82 Si 0.68262621918230 0.77364567029560 0.06923790500261 28.085 > 21 83 Si 0.68262621918230 0.27364567029560 0.56923790500260 28.085 > 21 84 Si 0.68262621918230 0.77364567029560 0.56923790500260 28.085 > 21 85 Si 0.81737378081770 0.22635432970440 0.31923790500261 28.085 > 22 86 Si 0.81737378081770 0.72635432970440 0.31923790500261 28.085 > 22 87 Si 0.81737378081770 0.22635432970440 0.81923790500261 28.085 > 22 88 Si 0.81737378081770 0.72635432970440 0.81923790500261 28.085 > 22 89 Si 0.31737378081770 0.02364567029560 0.43076209499739 28.085 > 23 90 Si 0.31737378081770 0.52364567029560 0.43076209499739 28.085 > 23 91 Si 0.31737378081770 0.02364567029560 0.93076209499739 28.085 > 23 92 Si 0.31737378081770 0.52364567029560 0.93076209499739 28.085 > 23 93 Si 0.18262621918230 0.47635432970440 0.18076209499740 28.085 > 24 94 Si 0.18262621918230 0.97635432970440 0.18076209499740 28.085 > 24 95 Si 0.18262621918230 0.47635432970440 0.68076209499740 28.085 > 24 96 Si 0.18262621918230 0.97635432970440 0.68076209499740 28.085 > 24 97 Si 0.31737378081770 0.22635432970440 0.43076209499739 28.085 > 25 98 Si 0.31737378081770 0.72635432970440 0.43076209499739 28.085 > 25 99 Si 0.31737378081770 0.22635432970440 0.93076209499739 28.085 > 25 100 Si 0.31737378081770 0.72635432970440 0.93076209499739 28.085 > 25 101 Si 0.18262621918230 0.27364567029560 0.18076209499740 28.085 > 26 102 Si 0.18262621918230 0.77364567029560 0.18076209499740 28.085 > 26 103 Si 0.18262621918230 0.27364567029560 0.68076209499740 28.085 > 26 104 Si 0.18262621918230 0.77364567029560 0.68076209499740 28.085 > 26 105 Si 0.68262621918230 0.47635432970440 0.06923790500261 28.085 > 27 106 Si 0.68262621918230 0.97635432970440 0.06923790500261 28.085 > 27 107 Si 0.68262621918230 0.47635432970440 0.56923790500260 28.085 > 27 108 Si 0.68262621918230 0.97635432970440 0.56923790500260 28.085 > 27 109 Si 0.81737378081770 0.02364567029560 0.31923790500261 28.085 > 28 110 Si 0.81737378081770 0.52364567029560 0.31923790500261 28.085 > 28 111 Si 0.81737378081770 0.02364567029560 0.81923790500261 28.085 > 28 112 Si 0.81737378081770 0.52364567029560 0.81923790500261 28.085 > 28 *113 Ba 0.04340371620674 0.12500000000000 0.39151816347032 137.327 > 29 114 Ba 0.04340371620674 0.62500000000000 0.39151816347032 137.327 > 29 115 Ba 0.04340371620674 0.12500000000000 0.89151816347032 137.327 > 29 116 Ba 0.04340371620674 0.62500000000000 0.89151816347032 137.327 > 29 117 Ba 0.45659628379326 0.37500000000000 0.14151816347032 137.327 > 30 118 Ba 0.45659628379326 0.87500000000000 0.14151816347032 137.327 > 30 119 Ba 0.45659628379326 0.37500000000000 0.64151816347032 137.327 > 30 120 Ba 0.45659628379326 0.87500000000000 0.64151816347032 137.327 > 30 121 Ba 0.95659628379326 0.37500000000000 0.10848183652968 137.327 > 31 122 Ba 0.95659628379326 0.87500000000000 0.10848183652968 137.327 > 31 123 Ba 0.95659628379326 0.37500000000000 0.60848183652968 137.327 > 31 124 Ba 0.95659628379326 0.87500000000000 0.60848183652968 137.327 > 31 125 Ba 0.54340371620674 0.12500000000000 0.35848183652968 137.327 > 32 126 Ba 0.54340371620674 0.62500000000000 0.35848183652968 137.327 > 32 127 Ba 0.54340371620674 0.12500000000000 0.85848183652968 137.327 > 32 128 Ba 0.54340371620674 0.62500000000000 0.85848183652968 137.327 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8379505 0.0000000 0.0000000 0.0000000 2.8104490 0.0000000 0.0000000 0.0000000 2.7262599 -------------------------- Born effective charges -------------------------- 1 O -1.9436893 -0.0296265 -0.6136469 0.0641894 -1.2832673 0.4413102 -0.7593606 0.3678405 -2.0925180 2 O -1.9436893 -0.0296265 0.6136469 0.0641894 -1.2832673 -0.4413102 0.7593606 -0.3678405 -2.0925180 3 O -1.9436893 0.0296265 -0.6136469 -0.0641894 -1.2832673 -0.4413102 -0.7593606 -0.3678405 -2.0925180 4 O -1.9436893 0.0296265 0.6136469 -0.0641894 -1.2832673 0.4413102 0.7593606 0.3678405 -2.0925180 5 O -1.9436893 -0.0296265 -0.6136469 0.0641894 -1.2832673 0.4413102 -0.7593606 0.3678405 -2.0925180 6 O -1.9436893 -0.0296265 0.6136469 0.0641894 -1.2832673 -0.4413102 0.7593606 -0.3678405 -2.0925180 7 O -1.9436893 0.0296265 -0.6136469 -0.0641894 -1.2832673 -0.4413102 -0.7593606 -0.3678405 -2.0925180 8 O -1.9436893 0.0296265 0.6136469 -0.0641894 -1.2832673 0.4413102 0.7593606 0.3678405 -2.0925180 9 O -1.8282950 -0.0976503 0.2632296 -0.1418010 -1.7319958 0.1961623 0.1473922 0.1334925 -1.6103437 10 O -1.8282950 -0.0976503 -0.2632296 -0.1418010 -1.7319958 -0.1961623 -0.1473922 -0.1334925 -1.6103437 11 O -1.8282950 0.0976503 0.2632296 0.1418010 -1.7319958 -0.1961623 0.1473922 -0.1334925 -1.6103437 12 O -1.8282950 0.0976503 -0.2632296 0.1418010 -1.7319958 0.1961623 -0.1473922 0.1334925 -1.6103437 13 O -1.3574470 0.0000000 -0.0490087 0.0000000 -2.9416015 0.0000000 -0.0350623 0.0000000 -1.0601973 14 O -1.3574470 0.0000000 0.0490087 0.0000000 -2.9416015 0.0000000 0.0350623 0.0000000 -1.0601973 15 O -1.3574470 0.0000000 -0.0490087 0.0000000 -2.9416015 0.0000000 -0.0350623 0.0000000 -1.0601973 16 O -1.3574470 0.0000000 0.0490087 0.0000000 -2.9416015 0.0000000 0.0350623 0.0000000 -1.0601973 17 O -1.8282950 0.0976503 -0.2632296 0.1418010 -1.7319958 0.1961623 -0.1473922 0.1334925 -1.6103437 18 O -1.8282950 0.0976503 0.2632296 0.1418010 -1.7319958 -0.1961623 0.1473922 -0.1334925 -1.6103437 19 O -1.8282950 -0.0976503 -0.2632296 -0.1418010 -1.7319958 -0.1961623 -0.1473922 -0.1334925 -1.6103437 20 O -1.8282950 -0.0976503 0.2632296 -0.1418010 -1.7319958 0.1961623 0.1473922 0.1334925 -1.6103437 21 Si 3.1323093 -0.0044614 -0.1278718 -0.0951792 3.1114204 -0.0439406 0.1189258 0.3040495 2.9736274 22 Si 3.1323093 -0.0044614 0.1278718 -0.0951792 3.1114204 0.0439406 -0.1189258 -0.3040495 2.9736274 23 Si 3.1323093 0.0044614 -0.1278718 0.0951792 3.1114204 0.0439406 0.1189258 -0.3040495 2.9736274 24 Si 3.1323093 0.0044614 0.1278718 0.0951792 3.1114204 -0.0439406 -0.1189258 0.3040495 2.9736274 25 Si 3.1323093 -0.0044614 -0.1278718 -0.0951792 3.1114204 -0.0439406 0.1189258 0.3040495 2.9736274 26 Si 3.1323093 -0.0044614 0.1278718 -0.0951792 3.1114204 0.0439406 -0.1189258 -0.3040495 2.9736274 27 Si 3.1323093 0.0044614 -0.1278718 0.0951792 3.1114204 0.0439406 0.1189258 -0.3040495 2.9736274 28 Si 3.1323093 0.0044614 0.1278718 0.0951792 3.1114204 -0.0439406 -0.1189258 0.3040495 2.9736274 29 Ba 2.6367971 0.0000000 0.1695436 0.0000000 2.7492870 0.0000000 0.0260974 0.0000000 2.5186660 30 Ba 2.6367971 0.0000000 -0.1695436 0.0000000 2.7492870 0.0000000 -0.0260974 0.0000000 2.5186660 31 Ba 2.6367971 0.0000000 0.1695436 0.0000000 2.7492870 0.0000000 0.0260974 0.0000000 2.5186660 32 Ba 2.6367971 0.0000000 -0.1695436 0.0000000 2.7492870 0.0000000 -0.0260974 0.0000000 2.5186660 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2432 Number of blocks in projector: 2432 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 240 eigenvectors found. (2) Block: 528 / 528 (2) 268 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 304 Use standard eigh solver. Tree of FC basis block matrices: - (2432, 2395), data: False |-- (304, 299), data: True |-- (304, 299), data: True |-- (304, 299), data: True |-- (496, 490), data: True |-- (496, 490), data: True |-- (528, 518), data: False |-- (528, 518), data: False |-- (528, 10), data: (528, 20) @ (20, 10) |-- (278, 268), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.974 Solver_block: 200 / 480 - Time: 0.804 Solver_block: 300 / 480 - Time: 0.795 Solver_block: 400 / 480 - Time: 0.799 Solver_block: 480 / 480 - Time: 0.666 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.135 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2432 Number of blocks in projector: 2432 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 240 eigenvectors found. (2) Block: 528 / 528 (2) 268 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 304 Use standard eigh solver. Tree of FC basis block matrices: - (2432, 2395), data: False |-- (304, 299), data: True |-- (304, 299), data: True |-- (304, 299), data: True |-- (496, 490), data: True |-- (496, 490), data: True |-- (528, 518), data: False |-- (528, 518), data: False |-- (528, 10), data: (528, 20) @ (20, 10) |-- (278, 268), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:20:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:20:01]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.533914180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.702155430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.638666400000000 Atomic positions (fractional): 1 O 0.78184761782056 0.55457745473481 0.34385951074696 15.999 2 O 0.71815238217944 0.44542254526519 0.84385951074696 15.999 3 O 0.21815238217944 0.05457745473481 0.65614048925304 15.999 4 O 0.28184761782056 0.94542254526519 0.15614048925304 15.999 5 O 0.21815238217944 0.44542254526519 0.65614048925304 15.999 6 O 0.28184761782056 0.55457745473481 0.15614048925304 15.999 7 O 0.78184761782056 0.94542254526519 0.34385951074696 15.999 8 O 0.71815238217944 0.05457745473481 0.84385951074696 15.999 9 O 0.58506629327106 0.46027665114957 0.26276101752911 15.999 10 O 0.91493370672894 0.53972334885043 0.76276101752911 15.999 11 O 0.41493370672893 0.96027665114957 0.73723898247089 15.999 12 O 0.08506629327107 0.03972334885043 0.23723898247089 15.999 13 O 0.84050056325549 0.25000000000000 0.54625543154337 15.999 14 O 0.65949943674451 0.75000000000000 0.04625543154337 15.999 15 O 0.15949943674451 0.75000000000000 0.45374456845663 15.999 16 O 0.34050056325549 0.25000000000000 0.95374456845663 15.999 17 O 0.91493370672894 0.96027665114957 0.76276101752911 15.999 18 O 0.58506629327106 0.03972334885043 0.26276101752911 15.999 19 O 0.08506629327107 0.46027665114957 0.23723898247089 15.999 20 O 0.41493370672893 0.53972334885043 0.73723898247089 15.999 21 Si 0.68262621918230 0.54729134059119 0.13847581000521 28.085 22 Si 0.81737378081770 0.45270865940881 0.63847581000521 28.085 23 Si 0.31737378081770 0.04729134059119 0.86152418999479 28.085 24 Si 0.18262621918230 0.95270865940881 0.36152418999479 28.085 25 Si 0.31737378081770 0.45270865940881 0.86152418999479 28.085 26 Si 0.18262621918230 0.54729134059119 0.36152418999479 28.085 27 Si 0.68262621918230 0.95270865940881 0.13847581000521 28.085 28 Si 0.81737378081770 0.04729134059119 0.63847581000521 28.085 29 Ba 0.04340371620674 0.25000000000000 0.78303632694065 137.327 30 Ba 0.45659628379326 0.75000000000000 0.28303632694065 137.327 31 Ba 0.95659628379326 0.75000000000000 0.21696367305935 137.327 32 Ba 0.54340371620674 0.25000000000000 0.71696367305935 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.533914180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.404310860000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.277332800000000 Atomic positions (fractional): 1 O 0.78184761782056 0.27728872736741 0.17192975537348 15.999 > 1 2 O 0.78184761782056 0.77728872736741 0.17192975537348 15.999 > 1 3 O 0.78184761782056 0.27728872736741 0.67192975537348 15.999 > 1 4 O 0.78184761782056 0.77728872736741 0.67192975537348 15.999 > 1 5 O 0.71815238217944 0.22271127263259 0.42192975537348 15.999 > 5 6 O 0.71815238217944 0.72271127263259 0.42192975537348 15.999 > 5 7 O 0.71815238217944 0.22271127263259 0.92192975537348 15.999 > 5 8 O 0.71815238217944 0.72271127263259 0.92192975537348 15.999 > 5 9 O 0.21815238217944 0.02728872736741 0.32807024462652 15.999 > 9 10 O 0.21815238217944 0.52728872736741 0.32807024462652 15.999 > 9 11 O 0.21815238217944 0.02728872736741 0.82807024462652 15.999 > 9 12 O 0.21815238217944 0.52728872736741 0.82807024462652 15.999 > 9 13 O 0.28184761782056 0.47271127263259 0.07807024462652 15.999 > 13 14 O 0.28184761782056 0.97271127263259 0.07807024462652 15.999 > 13 15 O 0.28184761782056 0.47271127263259 0.57807024462652 15.999 > 13 16 O 0.28184761782056 0.97271127263259 0.57807024462652 15.999 > 13 17 O 0.21815238217944 0.22271127263259 0.32807024462652 15.999 > 17 18 O 0.21815238217944 0.72271127263259 0.32807024462652 15.999 > 17 19 O 0.21815238217944 0.22271127263259 0.82807024462652 15.999 > 17 20 O 0.21815238217944 0.72271127263259 0.82807024462652 15.999 > 17 21 O 0.28184761782056 0.27728872736741 0.07807024462652 15.999 > 21 22 O 0.28184761782056 0.77728872736741 0.07807024462652 15.999 > 21 23 O 0.28184761782056 0.27728872736741 0.57807024462652 15.999 > 21 24 O 0.28184761782056 0.77728872736741 0.57807024462652 15.999 > 21 25 O 0.78184761782056 0.47271127263259 0.17192975537348 15.999 > 25 26 O 0.78184761782056 0.97271127263259 0.17192975537348 15.999 > 25 27 O 0.78184761782056 0.47271127263259 0.67192975537348 15.999 > 25 28 O 0.78184761782056 0.97271127263259 0.67192975537348 15.999 > 25 29 O 0.71815238217944 0.02728872736741 0.42192975537348 15.999 > 29 30 O 0.71815238217944 0.52728872736741 0.42192975537348 15.999 > 29 31 O 0.71815238217944 0.02728872736741 0.92192975537348 15.999 > 29 32 O 0.71815238217944 0.52728872736741 0.92192975537348 15.999 > 29 33 O 0.58506629327106 0.23013832557478 0.13138050876456 15.999 > 33 34 O 0.58506629327106 0.73013832557478 0.13138050876456 15.999 > 33 35 O 0.58506629327106 0.23013832557478 0.63138050876456 15.999 > 33 36 O 0.58506629327106 0.73013832557478 0.63138050876456 15.999 > 33 37 O 0.91493370672894 0.26986167442522 0.38138050876456 15.999 > 37 38 O 0.91493370672894 0.76986167442522 0.38138050876456 15.999 > 37 39 O 0.91493370672894 0.26986167442522 0.88138050876456 15.999 > 37 40 O 0.91493370672894 0.76986167442522 0.88138050876456 15.999 > 37 41 O 0.41493370672893 0.48013832557478 0.36861949123544 15.999 > 41 42 O 0.41493370672893 0.98013832557478 0.36861949123544 15.999 > 41 43 O 0.41493370672893 0.48013832557478 0.86861949123544 15.999 > 41 44 O 0.41493370672893 0.98013832557478 0.86861949123544 15.999 > 41 45 O 0.08506629327107 0.01986167442522 0.11861949123544 15.999 > 45 46 O 0.08506629327107 0.51986167442522 0.11861949123544 15.999 > 45 47 O 0.08506629327107 0.01986167442522 0.61861949123544 15.999 > 45 48 O 0.08506629327107 0.51986167442522 0.61861949123544 15.999 > 45 49 O 0.84050056325549 0.12500000000000 0.27312771577168 15.999 > 49 50 O 0.84050056325549 0.62500000000000 0.27312771577168 15.999 > 49 51 O 0.84050056325549 0.12500000000000 0.77312771577168 15.999 > 49 52 O 0.84050056325549 0.62500000000000 0.77312771577168 15.999 > 49 53 O 0.65949943674451 0.37500000000000 0.02312771577168 15.999 > 53 54 O 0.65949943674451 0.87500000000000 0.02312771577168 15.999 > 53 55 O 0.65949943674451 0.37500000000000 0.52312771577168 15.999 > 53 56 O 0.65949943674451 0.87500000000000 0.52312771577168 15.999 > 53 57 O 0.15949943674451 0.37500000000000 0.22687228422832 15.999 > 57 58 O 0.15949943674451 0.87500000000000 0.22687228422832 15.999 > 57 59 O 0.15949943674451 0.37500000000000 0.72687228422832 15.999 > 57 60 O 0.15949943674451 0.87500000000000 0.72687228422832 15.999 > 57 61 O 0.34050056325549 0.12500000000000 0.47687228422832 15.999 > 61 62 O 0.34050056325549 0.62500000000000 0.47687228422832 15.999 > 61 63 O 0.34050056325549 0.12500000000000 0.97687228422832 15.999 > 61 64 O 0.34050056325549 0.62500000000000 0.97687228422832 15.999 > 61 65 O 0.91493370672894 0.48013832557478 0.38138050876456 15.999 > 65 66 O 0.91493370672894 0.98013832557478 0.38138050876456 15.999 > 65 67 O 0.91493370672894 0.48013832557478 0.88138050876456 15.999 > 65 68 O 0.91493370672894 0.98013832557478 0.88138050876456 15.999 > 65 69 O 0.58506629327106 0.01986167442522 0.13138050876456 15.999 > 69 70 O 0.58506629327106 0.51986167442522 0.13138050876456 15.999 > 69 71 O 0.58506629327106 0.01986167442522 0.63138050876456 15.999 > 69 72 O 0.58506629327106 0.51986167442522 0.63138050876456 15.999 > 69 73 O 0.08506629327107 0.23013832557478 0.11861949123544 15.999 > 73 74 O 0.08506629327107 0.73013832557478 0.11861949123544 15.999 > 73 75 O 0.08506629327107 0.23013832557478 0.61861949123544 15.999 > 73 76 O 0.08506629327107 0.73013832557478 0.61861949123544 15.999 > 73 77 O 0.41493370672893 0.26986167442522 0.36861949123544 15.999 > 77 78 O 0.41493370672893 0.76986167442522 0.36861949123544 15.999 > 77 79 O 0.41493370672893 0.26986167442522 0.86861949123544 15.999 > 77 80 O 0.41493370672893 0.76986167442522 0.86861949123544 15.999 > 77 81 Si 0.68262621918230 0.27364567029560 0.06923790500261 28.085 > 81 82 Si 0.68262621918230 0.77364567029560 0.06923790500261 28.085 > 81 83 Si 0.68262621918230 0.27364567029560 0.56923790500260 28.085 > 81 84 Si 0.68262621918230 0.77364567029560 0.56923790500260 28.085 > 81 85 Si 0.81737378081770 0.22635432970440 0.31923790500261 28.085 > 85 86 Si 0.81737378081770 0.72635432970440 0.31923790500261 28.085 > 85 87 Si 0.81737378081770 0.22635432970440 0.81923790500261 28.085 > 85 88 Si 0.81737378081770 0.72635432970440 0.81923790500261 28.085 > 85 89 Si 0.31737378081770 0.02364567029560 0.43076209499739 28.085 > 89 90 Si 0.31737378081770 0.52364567029560 0.43076209499739 28.085 > 89 91 Si 0.31737378081770 0.02364567029560 0.93076209499739 28.085 > 89 92 Si 0.31737378081770 0.52364567029560 0.93076209499739 28.085 > 89 93 Si 0.18262621918230 0.47635432970440 0.18076209499740 28.085 > 93 94 Si 0.18262621918230 0.97635432970440 0.18076209499740 28.085 > 93 95 Si 0.18262621918230 0.47635432970440 0.68076209499740 28.085 > 93 96 Si 0.18262621918230 0.97635432970440 0.68076209499740 28.085 > 93 97 Si 0.31737378081770 0.22635432970440 0.43076209499739 28.085 > 97 98 Si 0.31737378081770 0.72635432970440 0.43076209499739 28.085 > 97 99 Si 0.31737378081770 0.22635432970440 0.93076209499739 28.085 > 97 100 Si 0.31737378081770 0.72635432970440 0.93076209499739 28.085 > 97 101 Si 0.18262621918230 0.27364567029560 0.18076209499740 28.085 > 101 102 Si 0.18262621918230 0.77364567029560 0.18076209499740 28.085 > 101 103 Si 0.18262621918230 0.27364567029560 0.68076209499740 28.085 > 101 104 Si 0.18262621918230 0.77364567029560 0.68076209499740 28.085 > 101 105 Si 0.68262621918230 0.47635432970440 0.06923790500261 28.085 > 105 106 Si 0.68262621918230 0.97635432970440 0.06923790500261 28.085 > 105 107 Si 0.68262621918230 0.47635432970440 0.56923790500260 28.085 > 105 108 Si 0.68262621918230 0.97635432970440 0.56923790500260 28.085 > 105 109 Si 0.81737378081770 0.02364567029560 0.31923790500261 28.085 > 109 110 Si 0.81737378081770 0.52364567029560 0.31923790500261 28.085 > 109 111 Si 0.81737378081770 0.02364567029560 0.81923790500261 28.085 > 109 112 Si 0.81737378081770 0.52364567029560 0.81923790500261 28.085 > 109 113 Ba 0.04340371620674 0.12500000000000 0.39151816347032 137.327 > 113 114 Ba 0.04340371620674 0.62500000000000 0.39151816347032 137.327 > 113 115 Ba 0.04340371620674 0.12500000000000 0.89151816347032 137.327 > 113 116 Ba 0.04340371620674 0.62500000000000 0.89151816347032 137.327 > 113 117 Ba 0.45659628379326 0.37500000000000 0.14151816347032 137.327 > 117 118 Ba 0.45659628379326 0.87500000000000 0.14151816347032 137.327 > 117 119 Ba 0.45659628379326 0.37500000000000 0.64151816347032 137.327 > 117 120 Ba 0.45659628379326 0.87500000000000 0.64151816347032 137.327 > 117 121 Ba 0.95659628379326 0.37500000000000 0.10848183652968 137.327 > 121 122 Ba 0.95659628379326 0.87500000000000 0.10848183652968 137.327 > 121 123 Ba 0.95659628379326 0.37500000000000 0.60848183652968 137.327 > 121 124 Ba 0.95659628379326 0.87500000000000 0.60848183652968 137.327 > 121 125 Ba 0.54340371620674 0.12500000000000 0.35848183652968 137.327 > 125 126 Ba 0.54340371620674 0.62500000000000 0.35848183652968 137.327 > 125 127 Ba 0.54340371620674 0.12500000000000 0.85848183652968 137.327 > 125 128 Ba 0.54340371620674 0.62500000000000 0.85848183652968 137.327 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8379505 0.0000000 0.0000000 0.0000000 2.8104490 0.0000000 0.0000000 0.0000000 2.7262599 -------------------------- Born effective charges -------------------------- 1 O -1.9436893 -0.0296265 -0.6136469 0.0641894 -1.2832673 0.4413102 -0.7593606 0.3678405 -2.0925180 2 O -1.9436893 -0.0296265 0.6136469 0.0641894 -1.2832673 -0.4413102 0.7593606 -0.3678405 -2.0925180 3 O -1.9436893 0.0296265 -0.6136469 -0.0641894 -1.2832673 -0.4413102 -0.7593606 -0.3678405 -2.0925180 4 O -1.9436893 0.0296265 0.6136469 -0.0641894 -1.2832673 0.4413102 0.7593606 0.3678405 -2.0925180 5 O -1.9436893 -0.0296265 -0.6136469 0.0641894 -1.2832673 0.4413102 -0.7593606 0.3678405 -2.0925180 6 O -1.9436893 -0.0296265 0.6136469 0.0641894 -1.2832673 -0.4413102 0.7593606 -0.3678405 -2.0925180 7 O -1.9436893 0.0296265 -0.6136469 -0.0641894 -1.2832673 -0.4413102 -0.7593606 -0.3678405 -2.0925180 8 O -1.9436893 0.0296265 0.6136469 -0.0641894 -1.2832673 0.4413102 0.7593606 0.3678405 -2.0925180 9 O -1.8282950 -0.0976503 0.2632296 -0.1418010 -1.7319958 0.1961623 0.1473922 0.1334925 -1.6103437 10 O -1.8282950 -0.0976503 -0.2632296 -0.1418010 -1.7319958 -0.1961623 -0.1473922 -0.1334925 -1.6103437 11 O -1.8282950 0.0976503 0.2632296 0.1418010 -1.7319958 -0.1961623 0.1473922 -0.1334925 -1.6103437 12 O -1.8282950 0.0976503 -0.2632296 0.1418010 -1.7319958 0.1961623 -0.1473922 0.1334925 -1.6103437 13 O -1.3574470 0.0000000 -0.0490087 0.0000000 -2.9416015 0.0000000 -0.0350623 0.0000000 -1.0601973 14 O -1.3574470 0.0000000 0.0490087 0.0000000 -2.9416015 0.0000000 0.0350623 0.0000000 -1.0601973 15 O -1.3574470 0.0000000 -0.0490087 0.0000000 -2.9416015 0.0000000 -0.0350623 0.0000000 -1.0601973 16 O -1.3574470 0.0000000 0.0490087 0.0000000 -2.9416015 0.0000000 0.0350623 0.0000000 -1.0601973 17 O -1.8282950 0.0976503 -0.2632296 0.1418010 -1.7319958 0.1961623 -0.1473922 0.1334925 -1.6103437 18 O -1.8282950 0.0976503 0.2632296 0.1418010 -1.7319958 -0.1961623 0.1473922 -0.1334925 -1.6103437 19 O -1.8282950 -0.0976503 -0.2632296 -0.1418010 -1.7319958 -0.1961623 -0.1473922 -0.1334925 -1.6103437 20 O -1.8282950 -0.0976503 0.2632296 -0.1418010 -1.7319958 0.1961623 0.1473922 0.1334925 -1.6103437 21 Si 3.1323093 -0.0044614 -0.1278718 -0.0951792 3.1114204 -0.0439406 0.1189258 0.3040495 2.9736274 22 Si 3.1323093 -0.0044614 0.1278718 -0.0951792 3.1114204 0.0439406 -0.1189258 -0.3040495 2.9736274 23 Si 3.1323093 0.0044614 -0.1278718 0.0951792 3.1114204 0.0439406 0.1189258 -0.3040495 2.9736274 24 Si 3.1323093 0.0044614 0.1278718 0.0951792 3.1114204 -0.0439406 -0.1189258 0.3040495 2.9736274 25 Si 3.1323093 -0.0044614 -0.1278718 -0.0951792 3.1114204 -0.0439406 0.1189258 0.3040495 2.9736274 26 Si 3.1323093 -0.0044614 0.1278718 -0.0951792 3.1114204 0.0439406 -0.1189258 -0.3040495 2.9736274 27 Si 3.1323093 0.0044614 -0.1278718 0.0951792 3.1114204 0.0439406 0.1189258 -0.3040495 2.9736274 28 Si 3.1323093 0.0044614 0.1278718 0.0951792 3.1114204 -0.0439406 -0.1189258 0.3040495 2.9736274 29 Ba 2.6367971 0.0000000 0.1695436 0.0000000 2.7492870 0.0000000 0.0260974 0.0000000 2.5186660 30 Ba 2.6367971 0.0000000 -0.1695436 0.0000000 2.7492870 0.0000000 -0.0260974 0.0000000 2.5186660 31 Ba 2.6367971 0.0000000 0.1695436 0.0000000 2.7492870 0.0000000 0.0260974 0.0000000 2.5186660 32 Ba 2.6367971 0.0000000 -0.1695436 0.0000000 2.7492870 0.0000000 -0.0260974 0.0000000 2.5186660 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000003 (zxz) -0.00000003 (zxz) -0.00000003 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (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 2026-01-07 19:20:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:20:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.533914180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.702155430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.638666400000000 Atomic positions (fractional): 1 O 0.78184761782056 0.55457745473481 0.34385951074696 15.999 2 O 0.71815238217944 0.44542254526519 0.84385951074696 15.999 3 O 0.21815238217944 0.05457745473481 0.65614048925304 15.999 4 O 0.28184761782056 0.94542254526519 0.15614048925304 15.999 5 O 0.21815238217944 0.44542254526519 0.65614048925304 15.999 6 O 0.28184761782056 0.55457745473481 0.15614048925304 15.999 7 O 0.78184761782056 0.94542254526519 0.34385951074696 15.999 8 O 0.71815238217944 0.05457745473481 0.84385951074696 15.999 9 O 0.58506629327106 0.46027665114957 0.26276101752911 15.999 10 O 0.91493370672894 0.53972334885043 0.76276101752911 15.999 11 O 0.41493370672893 0.96027665114957 0.73723898247089 15.999 12 O 0.08506629327107 0.03972334885043 0.23723898247089 15.999 13 O 0.84050056325549 0.25000000000000 0.54625543154337 15.999 14 O 0.65949943674451 0.75000000000000 0.04625543154337 15.999 15 O 0.15949943674451 0.75000000000000 0.45374456845663 15.999 16 O 0.34050056325549 0.25000000000000 0.95374456845663 15.999 17 O 0.91493370672894 0.96027665114957 0.76276101752911 15.999 18 O 0.58506629327106 0.03972334885043 0.26276101752911 15.999 19 O 0.08506629327107 0.46027665114957 0.23723898247089 15.999 20 O 0.41493370672893 0.53972334885043 0.73723898247089 15.999 21 Si 0.68262621918230 0.54729134059119 0.13847581000521 28.085 22 Si 0.81737378081770 0.45270865940881 0.63847581000521 28.085 23 Si 0.31737378081770 0.04729134059119 0.86152418999479 28.085 24 Si 0.18262621918230 0.95270865940881 0.36152418999479 28.085 25 Si 0.31737378081770 0.45270865940881 0.86152418999479 28.085 26 Si 0.18262621918230 0.54729134059119 0.36152418999479 28.085 27 Si 0.68262621918230 0.95270865940881 0.13847581000521 28.085 28 Si 0.81737378081770 0.04729134059119 0.63847581000521 28.085 29 Ba 0.04340371620674 0.25000000000000 0.78303632694065 137.327 30 Ba 0.45659628379326 0.75000000000000 0.28303632694065 137.327 31 Ba 0.95659628379326 0.75000000000000 0.21696367305935 137.327 32 Ba 0.54340371620674 0.25000000000000 0.71696367305935 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.533914180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.404310860000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.277332800000000 Atomic positions (fractional): 1 O 0.78184761782056 0.27728872736741 0.17192975537348 15.999 > 1 2 O 0.78184761782056 0.77728872736741 0.17192975537348 15.999 > 1 3 O 0.78184761782056 0.27728872736741 0.67192975537348 15.999 > 1 4 O 0.78184761782056 0.77728872736741 0.67192975537348 15.999 > 1 5 O 0.71815238217944 0.22271127263259 0.42192975537348 15.999 > 5 6 O 0.71815238217944 0.72271127263259 0.42192975537348 15.999 > 5 7 O 0.71815238217944 0.22271127263259 0.92192975537348 15.999 > 5 8 O 0.71815238217944 0.72271127263259 0.92192975537348 15.999 > 5 9 O 0.21815238217944 0.02728872736741 0.32807024462652 15.999 > 9 10 O 0.21815238217944 0.52728872736741 0.32807024462652 15.999 > 9 11 O 0.21815238217944 0.02728872736741 0.82807024462652 15.999 > 9 12 O 0.21815238217944 0.52728872736741 0.82807024462652 15.999 > 9 13 O 0.28184761782056 0.47271127263259 0.07807024462652 15.999 > 13 14 O 0.28184761782056 0.97271127263259 0.07807024462652 15.999 > 13 15 O 0.28184761782056 0.47271127263259 0.57807024462652 15.999 > 13 16 O 0.28184761782056 0.97271127263259 0.57807024462652 15.999 > 13 17 O 0.21815238217944 0.22271127263259 0.32807024462652 15.999 > 17 18 O 0.21815238217944 0.72271127263259 0.32807024462652 15.999 > 17 19 O 0.21815238217944 0.22271127263259 0.82807024462652 15.999 > 17 20 O 0.21815238217944 0.72271127263259 0.82807024462652 15.999 > 17 21 O 0.28184761782056 0.27728872736741 0.07807024462652 15.999 > 21 22 O 0.28184761782056 0.77728872736741 0.07807024462652 15.999 > 21 23 O 0.28184761782056 0.27728872736741 0.57807024462652 15.999 > 21 24 O 0.28184761782056 0.77728872736741 0.57807024462652 15.999 > 21 25 O 0.78184761782056 0.47271127263259 0.17192975537348 15.999 > 25 26 O 0.78184761782056 0.97271127263259 0.17192975537348 15.999 > 25 27 O 0.78184761782056 0.47271127263259 0.67192975537348 15.999 > 25 28 O 0.78184761782056 0.97271127263259 0.67192975537348 15.999 > 25 29 O 0.71815238217944 0.02728872736741 0.42192975537348 15.999 > 29 30 O 0.71815238217944 0.52728872736741 0.42192975537348 15.999 > 29 31 O 0.71815238217944 0.02728872736741 0.92192975537348 15.999 > 29 32 O 0.71815238217944 0.52728872736741 0.92192975537348 15.999 > 29 33 O 0.58506629327106 0.23013832557478 0.13138050876456 15.999 > 33 34 O 0.58506629327106 0.73013832557478 0.13138050876456 15.999 > 33 35 O 0.58506629327106 0.23013832557478 0.63138050876456 15.999 > 33 36 O 0.58506629327106 0.73013832557478 0.63138050876456 15.999 > 33 37 O 0.91493370672894 0.26986167442522 0.38138050876456 15.999 > 37 38 O 0.91493370672894 0.76986167442522 0.38138050876456 15.999 > 37 39 O 0.91493370672894 0.26986167442522 0.88138050876456 15.999 > 37 40 O 0.91493370672894 0.76986167442522 0.88138050876456 15.999 > 37 41 O 0.41493370672893 0.48013832557478 0.36861949123544 15.999 > 41 42 O 0.41493370672893 0.98013832557478 0.36861949123544 15.999 > 41 43 O 0.41493370672893 0.48013832557478 0.86861949123544 15.999 > 41 44 O 0.41493370672893 0.98013832557478 0.86861949123544 15.999 > 41 45 O 0.08506629327107 0.01986167442522 0.11861949123544 15.999 > 45 46 O 0.08506629327107 0.51986167442522 0.11861949123544 15.999 > 45 47 O 0.08506629327107 0.01986167442522 0.61861949123544 15.999 > 45 48 O 0.08506629327107 0.51986167442522 0.61861949123544 15.999 > 45 49 O 0.84050056325549 0.12500000000000 0.27312771577168 15.999 > 49 50 O 0.84050056325549 0.62500000000000 0.27312771577168 15.999 > 49 51 O 0.84050056325549 0.12500000000000 0.77312771577168 15.999 > 49 52 O 0.84050056325549 0.62500000000000 0.77312771577168 15.999 > 49 53 O 0.65949943674451 0.37500000000000 0.02312771577168 15.999 > 53 54 O 0.65949943674451 0.87500000000000 0.02312771577168 15.999 > 53 55 O 0.65949943674451 0.37500000000000 0.52312771577168 15.999 > 53 56 O 0.65949943674451 0.87500000000000 0.52312771577168 15.999 > 53 57 O 0.15949943674451 0.37500000000000 0.22687228422832 15.999 > 57 58 O 0.15949943674451 0.87500000000000 0.22687228422832 15.999 > 57 59 O 0.15949943674451 0.37500000000000 0.72687228422832 15.999 > 57 60 O 0.15949943674451 0.87500000000000 0.72687228422832 15.999 > 57 61 O 0.34050056325549 0.12500000000000 0.47687228422832 15.999 > 61 62 O 0.34050056325549 0.62500000000000 0.47687228422832 15.999 > 61 63 O 0.34050056325549 0.12500000000000 0.97687228422832 15.999 > 61 64 O 0.34050056325549 0.62500000000000 0.97687228422832 15.999 > 61 65 O 0.91493370672894 0.48013832557478 0.38138050876456 15.999 > 65 66 O 0.91493370672894 0.98013832557478 0.38138050876456 15.999 > 65 67 O 0.91493370672894 0.48013832557478 0.88138050876456 15.999 > 65 68 O 0.91493370672894 0.98013832557478 0.88138050876456 15.999 > 65 69 O 0.58506629327106 0.01986167442522 0.13138050876456 15.999 > 69 70 O 0.58506629327106 0.51986167442522 0.13138050876456 15.999 > 69 71 O 0.58506629327106 0.01986167442522 0.63138050876456 15.999 > 69 72 O 0.58506629327106 0.51986167442522 0.63138050876456 15.999 > 69 73 O 0.08506629327107 0.23013832557478 0.11861949123544 15.999 > 73 74 O 0.08506629327107 0.73013832557478 0.11861949123544 15.999 > 73 75 O 0.08506629327107 0.23013832557478 0.61861949123544 15.999 > 73 76 O 0.08506629327107 0.73013832557478 0.61861949123544 15.999 > 73 77 O 0.41493370672893 0.26986167442522 0.36861949123544 15.999 > 77 78 O 0.41493370672893 0.76986167442522 0.36861949123544 15.999 > 77 79 O 0.41493370672893 0.26986167442522 0.86861949123544 15.999 > 77 80 O 0.41493370672893 0.76986167442522 0.86861949123544 15.999 > 77 81 Si 0.68262621918230 0.27364567029560 0.06923790500261 28.085 > 81 82 Si 0.68262621918230 0.77364567029560 0.06923790500261 28.085 > 81 83 Si 0.68262621918230 0.27364567029560 0.56923790500260 28.085 > 81 84 Si 0.68262621918230 0.77364567029560 0.56923790500260 28.085 > 81 85 Si 0.81737378081770 0.22635432970440 0.31923790500261 28.085 > 85 86 Si 0.81737378081770 0.72635432970440 0.31923790500261 28.085 > 85 87 Si 0.81737378081770 0.22635432970440 0.81923790500261 28.085 > 85 88 Si 0.81737378081770 0.72635432970440 0.81923790500261 28.085 > 85 89 Si 0.31737378081770 0.02364567029560 0.43076209499739 28.085 > 89 90 Si 0.31737378081770 0.52364567029560 0.43076209499739 28.085 > 89 91 Si 0.31737378081770 0.02364567029560 0.93076209499739 28.085 > 89 92 Si 0.31737378081770 0.52364567029560 0.93076209499739 28.085 > 89 93 Si 0.18262621918230 0.47635432970440 0.18076209499740 28.085 > 93 94 Si 0.18262621918230 0.97635432970440 0.18076209499740 28.085 > 93 95 Si 0.18262621918230 0.47635432970440 0.68076209499740 28.085 > 93 96 Si 0.18262621918230 0.97635432970440 0.68076209499740 28.085 > 93 97 Si 0.31737378081770 0.22635432970440 0.43076209499739 28.085 > 97 98 Si 0.31737378081770 0.72635432970440 0.43076209499739 28.085 > 97 99 Si 0.31737378081770 0.22635432970440 0.93076209499739 28.085 > 97 100 Si 0.31737378081770 0.72635432970440 0.93076209499739 28.085 > 97 101 Si 0.18262621918230 0.27364567029560 0.18076209499740 28.085 > 101 102 Si 0.18262621918230 0.77364567029560 0.18076209499740 28.085 > 101 103 Si 0.18262621918230 0.27364567029560 0.68076209499740 28.085 > 101 104 Si 0.18262621918230 0.77364567029560 0.68076209499740 28.085 > 101 105 Si 0.68262621918230 0.47635432970440 0.06923790500261 28.085 > 105 106 Si 0.68262621918230 0.97635432970440 0.06923790500261 28.085 > 105 107 Si 0.68262621918230 0.47635432970440 0.56923790500260 28.085 > 105 108 Si 0.68262621918230 0.97635432970440 0.56923790500260 28.085 > 105 109 Si 0.81737378081770 0.02364567029560 0.31923790500261 28.085 > 109 110 Si 0.81737378081770 0.52364567029560 0.31923790500261 28.085 > 109 111 Si 0.81737378081770 0.02364567029560 0.81923790500261 28.085 > 109 112 Si 0.81737378081770 0.52364567029560 0.81923790500261 28.085 > 109 113 Ba 0.04340371620674 0.12500000000000 0.39151816347032 137.327 > 113 114 Ba 0.04340371620674 0.62500000000000 0.39151816347032 137.327 > 113 115 Ba 0.04340371620674 0.12500000000000 0.89151816347032 137.327 > 113 116 Ba 0.04340371620674 0.62500000000000 0.89151816347032 137.327 > 113 117 Ba 0.45659628379326 0.37500000000000 0.14151816347032 137.327 > 117 118 Ba 0.45659628379326 0.87500000000000 0.14151816347032 137.327 > 117 119 Ba 0.45659628379326 0.37500000000000 0.64151816347032 137.327 > 117 120 Ba 0.45659628379326 0.87500000000000 0.64151816347032 137.327 > 117 121 Ba 0.95659628379326 0.37500000000000 0.10848183652968 137.327 > 121 122 Ba 0.95659628379326 0.87500000000000 0.10848183652968 137.327 > 121 123 Ba 0.95659628379326 0.37500000000000 0.60848183652968 137.327 > 121 124 Ba 0.95659628379326 0.87500000000000 0.60848183652968 137.327 > 121 125 Ba 0.54340371620674 0.12500000000000 0.35848183652968 137.327 > 125 126 Ba 0.54340371620674 0.62500000000000 0.35848183652968 137.327 > 125 127 Ba 0.54340371620674 0.12500000000000 0.85848183652968 137.327 > 125 128 Ba 0.54340371620674 0.62500000000000 0.85848183652968 137.327 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8379505 0.0000000 0.0000000 0.0000000 2.8104490 0.0000000 0.0000000 0.0000000 2.7262599 -------------------------- Born effective charges -------------------------- 1 O -1.9436893 -0.0296265 -0.6136469 0.0641894 -1.2832673 0.4413102 -0.7593606 0.3678405 -2.0925180 2 O -1.9436893 -0.0296265 0.6136469 0.0641894 -1.2832673 -0.4413102 0.7593606 -0.3678405 -2.0925180 3 O -1.9436893 0.0296265 -0.6136469 -0.0641894 -1.2832673 -0.4413102 -0.7593606 -0.3678405 -2.0925180 4 O -1.9436893 0.0296265 0.6136469 -0.0641894 -1.2832673 0.4413102 0.7593606 0.3678405 -2.0925180 5 O -1.9436893 -0.0296265 -0.6136469 0.0641894 -1.2832673 0.4413102 -0.7593606 0.3678405 -2.0925180 6 O -1.9436893 -0.0296265 0.6136469 0.0641894 -1.2832673 -0.4413102 0.7593606 -0.3678405 -2.0925180 7 O -1.9436893 0.0296265 -0.6136469 -0.0641894 -1.2832673 -0.4413102 -0.7593606 -0.3678405 -2.0925180 8 O -1.9436893 0.0296265 0.6136469 -0.0641894 -1.2832673 0.4413102 0.7593606 0.3678405 -2.0925180 9 O -1.8282950 -0.0976503 0.2632296 -0.1418010 -1.7319958 0.1961623 0.1473922 0.1334925 -1.6103437 10 O -1.8282950 -0.0976503 -0.2632296 -0.1418010 -1.7319958 -0.1961623 -0.1473922 -0.1334925 -1.6103437 11 O -1.8282950 0.0976503 0.2632296 0.1418010 -1.7319958 -0.1961623 0.1473922 -0.1334925 -1.6103437 12 O -1.8282950 0.0976503 -0.2632296 0.1418010 -1.7319958 0.1961623 -0.1473922 0.1334925 -1.6103437 13 O -1.3574470 0.0000000 -0.0490087 0.0000000 -2.9416015 0.0000000 -0.0350623 0.0000000 -1.0601973 14 O -1.3574470 0.0000000 0.0490087 0.0000000 -2.9416015 0.0000000 0.0350623 0.0000000 -1.0601973 15 O -1.3574470 0.0000000 -0.0490087 0.0000000 -2.9416015 0.0000000 -0.0350623 0.0000000 -1.0601973 16 O -1.3574470 0.0000000 0.0490087 0.0000000 -2.9416015 0.0000000 0.0350623 0.0000000 -1.0601973 17 O -1.8282950 0.0976503 -0.2632296 0.1418010 -1.7319958 0.1961623 -0.1473922 0.1334925 -1.6103437 18 O -1.8282950 0.0976503 0.2632296 0.1418010 -1.7319958 -0.1961623 0.1473922 -0.1334925 -1.6103437 19 O -1.8282950 -0.0976503 -0.2632296 -0.1418010 -1.7319958 -0.1961623 -0.1473922 -0.1334925 -1.6103437 20 O -1.8282950 -0.0976503 0.2632296 -0.1418010 -1.7319958 0.1961623 0.1473922 0.1334925 -1.6103437 21 Si 3.1323093 -0.0044614 -0.1278718 -0.0951792 3.1114204 -0.0439406 0.1189258 0.3040495 2.9736274 22 Si 3.1323093 -0.0044614 0.1278718 -0.0951792 3.1114204 0.0439406 -0.1189258 -0.3040495 2.9736274 23 Si 3.1323093 0.0044614 -0.1278718 0.0951792 3.1114204 0.0439406 0.1189258 -0.3040495 2.9736274 24 Si 3.1323093 0.0044614 0.1278718 0.0951792 3.1114204 -0.0439406 -0.1189258 0.3040495 2.9736274 25 Si 3.1323093 -0.0044614 -0.1278718 -0.0951792 3.1114204 -0.0439406 0.1189258 0.3040495 2.9736274 26 Si 3.1323093 -0.0044614 0.1278718 -0.0951792 3.1114204 0.0439406 -0.1189258 -0.3040495 2.9736274 27 Si 3.1323093 0.0044614 -0.1278718 0.0951792 3.1114204 0.0439406 0.1189258 -0.3040495 2.9736274 28 Si 3.1323093 0.0044614 0.1278718 0.0951792 3.1114204 -0.0439406 -0.1189258 0.3040495 2.9736274 29 Ba 2.6367971 0.0000000 0.1695436 0.0000000 2.7492870 0.0000000 0.0260974 0.0000000 2.5186660 30 Ba 2.6367971 0.0000000 -0.1695436 0.0000000 2.7492870 0.0000000 -0.0260974 0.0000000 2.5186660 31 Ba 2.6367971 0.0000000 0.1695436 0.0000000 2.7492870 0.0000000 0.0260974 0.0000000 2.5186660 32 Ba 2.6367971 0.0000000 -0.1695436 0.0000000 2.7492870 0.0000000 -0.0260974 0.0000000 2.5186660 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zxz) -0.00000003 (zxz) -0.00000003 (zzx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 6 11 ] 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: 0.53, Number of G-points: 307, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.567 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 2.067 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 0.000) 0.000 3.269 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 5.019 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.690 ( 0.000 0.000 0.000) 0.000 5.716 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 6.981 ( 0.000 0.000 0.000) 0.000 7.198 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 9.027 ( 0.000 0.000 0.000) 0.000 9.122 ( 0.000 0.000 0.000) 0.000 9.390 ( 0.000 0.000 0.000) 0.000 9.435 ( 0.000 0.000 0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 9.740 ( 0.000 0.000 0.000) 0.000 10.255 ( 0.000 0.000 0.000) 0.000 10.761 ( 0.000 0.000 0.000) 0.000 10.953 ( 0.000 0.000 0.000) 0.000 11.024 ( 0.000 0.000 0.000) 0.000 11.220 ( 0.000 0.000 0.000) 0.000 12.322 ( 0.000 0.000 0.000) 0.000 12.323 ( 0.000 0.000 0.000) 0.000 12.731 ( 0.000 0.000 0.000) 0.000 12.778 ( 0.000 0.000 0.000) 0.000 12.987 ( 0.000 0.000 0.000) 0.000 13.090 ( 0.000 0.000 0.000) 0.000 13.185 ( 0.000 0.000 0.000) 0.000 13.264 ( 0.000 0.000 0.000) 0.000 13.560 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 13.971 ( 0.000 0.000 0.000) 0.000 13.976 ( 0.000 0.000 0.000) 0.000 14.681 ( 0.000 0.000 0.000) 0.000 15.103 ( 0.000 0.000 0.000) 0.000 15.430 ( 0.000 0.000 0.000) 0.000 15.486 ( 0.000 0.000 0.000) 0.000 17.360 ( 0.000 0.000 0.000) 0.000 17.388 ( 0.000 0.000 0.000) 0.000 19.820 ( 0.000 0.000 0.000) 0.000 20.035 ( 0.000 0.000 0.000) 0.000 22.072 ( 0.000 0.000 0.000) 0.000 22.149 ( 0.000 0.000 0.000) 0.000 22.164 ( 0.000 0.000 0.000) 0.000 22.341 ( 0.000 0.000 0.000) 0.000 23.219 ( 0.000 0.000 0.000) 0.000 23.373 ( 0.000 0.000 0.000) 0.000 28.451 ( 0.000 0.000 0.000) 0.000 28.549 ( 0.000 0.000 0.000) 0.000 28.873 ( 0.000 0.000 0.000) 0.000 28.897 ( 0.000 0.000 0.000) 0.000 29.096 ( 0.000 0.000 0.000) 0.000 29.097 ( 0.000 0.000 0.000) 0.000 29.488 ( 0.000 0.000 0.000) 0.000 29.508 ( 0.000 0.000 0.000) 0.000 30.220 ( 0.000 0.000 0.000) 0.000 30.241 ( 0.000 0.000 0.000) 0.000 30.256 ( 0.000 0.000 0.000) 0.000 30.564 ( 0.000 0.000 0.000) 0.000 31.617 ( 0.000 0.000 0.000) 0.000 31.644 ( 0.000 0.000 0.000) 0.000 31.691 ( 0.000 0.000 0.000) 0.000 31.695 ( 0.000 0.000 0.000) 0.000 31.909 ( 0.000 0.000 0.000) 0.000 31.931 ( 0.000 0.000 0.000) 0.000 32.301 ( 0.000 0.000 0.000) 0.000 34.372 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 27.180 0.000 0.000) 27.180 0.556 ( 29.883 0.000 0.000) 29.883 0.938 ( 42.960 0.000 0.000) 42.960 1.468 ( -8.670 0.000 0.000) 8.670 1.606 ( -20.770 0.000 0.000) 20.770 1.665 ( 2.620 0.000 0.000) 2.620 1.921 ( 9.934 0.000 0.000) 9.934 2.030 ( -7.348 0.000 0.000) 7.348 2.069 ( -3.836 0.000 0.000) 3.836 2.516 ( 21.557 0.000 0.000) 21.557 2.681 ( -13.127 0.000 0.000) 13.127 2.730 ( 1.266 0.000 0.000) 1.266 2.922 ( -1.769 0.000 0.000) 1.769 3.017 ( -0.904 0.000 0.000) 0.904 3.080 ( -27.002 0.000 0.000) 27.002 3.164 ( -11.366 0.000 0.000) 11.366 3.300 ( 3.181 0.000 0.000) 3.181 3.444 ( -3.688 0.000 0.000) 3.688 3.690 ( 2.349 0.000 0.000) 2.349 3.792 ( -0.620 0.000 0.000) 0.620 3.928 ( 8.988 0.000 0.000) 8.988 4.251 ( 11.416 0.000 0.000) 11.416 4.292 ( -7.792 0.000 0.000) 7.792 4.393 ( -0.074 0.000 0.000) 0.074 5.138 ( 12.123 0.000 0.000) 12.123 5.351 ( 1.987 0.000 0.000) 1.987 5.402 ( -0.781 0.000 0.000) 0.781 5.626 ( -9.181 0.000 0.000) 9.181 5.742 ( 5.500 0.000 0.000) 5.500 5.884 ( 9.487 0.000 0.000) 9.487 6.017 ( -5.686 0.000 0.000) 5.686 6.396 ( -13.027 0.000 0.000) 13.027 6.927 ( 1.553 0.000 0.000) 1.553 6.976 ( -0.616 0.000 0.000) 0.616 7.286 ( 7.843 0.000 0.000) 7.843 7.557 ( -4.638 0.000 0.000) 4.638 8.406 ( 1.094 0.000 0.000) 1.094 8.415 ( 0.532 0.000 0.000) 0.532 8.889 ( 2.276 0.000 0.000) 2.276 9.004 ( -2.401 0.000 0.000) 2.401 9.192 ( 7.112 0.000 0.000) 7.112 9.396 ( 0.454 0.000 0.000) 0.454 9.430 ( -0.545 0.000 0.000) 0.545 9.514 ( -6.216 0.000 0.000) 6.216 9.778 ( 4.270 0.000 0.000) 4.270 10.108 ( -11.934 0.000 0.000) 11.934 10.917 ( 13.082 0.000 0.000) 13.082 10.964 ( 1.114 0.000 0.000) 1.114 11.014 ( -1.046 0.000 0.000) 1.046 11.338 ( -6.931 0.000 0.000) 6.931 12.323 ( 0.061 0.000 0.000) 0.061 12.336 ( -0.556 0.000 0.000) 0.556 12.739 ( 0.755 0.000 0.000) 0.755 12.772 ( -0.651 0.000 0.000) 0.651 13.007 ( 1.993 0.000 0.000) 1.993 13.079 ( -1.140 0.000 0.000) 1.140 13.197 ( 1.208 0.000 0.000) 1.208 13.252 ( -1.168 0.000 0.000) 1.168 13.561 ( 0.155 0.000 0.000) 0.155 13.572 ( -0.289 0.000 0.000) 0.289 13.972 ( 0.087 0.000 0.000) 0.087 13.976 ( -0.062 0.000 0.000) 0.062 15.110 ( 0.685 0.000 0.000) 0.685 15.146 ( -0.900 0.000 0.000) 0.900 15.440 ( 0.924 0.000 0.000) 0.924 15.479 ( -0.761 0.000 0.000) 0.761 17.364 ( 0.423 0.000 0.000) 0.423 17.384 ( -0.419 0.000 0.000) 0.419 20.055 ( 2.056 0.000 0.000) 2.056 20.162 ( -2.507 0.000 0.000) 2.507 22.115 ( 4.293 0.000 0.000) 4.293 22.152 ( 0.234 0.000 0.000) 0.234 22.162 ( -0.218 0.000 0.000) 0.218 22.305 ( -3.815 0.000 0.000) 3.815 23.384 ( 1.148 0.000 0.000) 1.148 23.437 ( -1.105 0.000 0.000) 1.105 28.465 ( 1.368 0.000 0.000) 1.368 28.533 ( -1.562 0.000 0.000) 1.562 28.878 ( 0.424 0.000 0.000) 0.424 28.894 ( -0.291 0.000 0.000) 0.291 29.096 ( 0.017 0.000 0.000) 0.017 29.097 ( -0.020 0.000 0.000) 0.020 29.491 ( 0.265 0.000 0.000) 0.265 29.504 ( -0.326 0.000 0.000) 0.326 30.277 ( 2.153 0.000 0.000) 2.153 30.283 ( 4.374 0.000 0.000) 4.374 30.384 ( -2.396 0.000 0.000) 2.396 30.510 ( -5.413 0.000 0.000) 5.413 31.629 ( 1.207 0.000 0.000) 1.207 31.647 ( 0.345 0.000 0.000) 0.345 31.678 ( -1.329 0.000 0.000) 1.329 31.681 ( -1.028 0.000 0.000) 1.028 32.003 ( 6.756 0.000 0.000) 6.756 32.258 ( -4.569 0.000 0.000) 4.569 34.373 ( 0.085 0.000 0.000) 0.085 34.377 ( -0.094 0.000 0.000) 0.094 ======================= Grid point 2 (3/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -21.028 0.000 0.000) 21.028 0.979 ( 21.028 0.000 0.000) 21.028 1.099 ( -28.821 0.000 0.000) 28.821 1.099 ( 28.821 0.000 0.000) 28.821 1.851 ( -11.180 0.000 0.000) 11.180 1.851 ( 11.180 0.000 0.000) 11.180 1.877 ( -25.801 0.000 0.000) 25.801 1.877 ( 25.801 0.000 0.000) 25.801 2.168 ( -25.357 0.000 0.000) 25.357 2.168 ( 25.357 0.000 0.000) 25.357 2.776 ( -4.365 0.000 0.000) 4.365 2.776 ( 4.365 0.000 0.000) 4.365 2.885 ( -18.032 0.000 0.000) 18.032 2.885 ( 18.032 0.000 0.000) 18.032 2.993 ( -1.532 0.000 0.000) 1.532 2.993 ( 1.532 0.000 0.000) 1.532 3.371 ( -4.125 0.000 0.000) 4.125 3.371 ( 4.125 0.000 0.000) 4.125 3.746 ( -3.331 0.000 0.000) 3.331 3.746 ( 3.331 0.000 0.000) 3.331 4.115 ( -10.524 0.000 0.000) 10.524 4.115 ( 10.524 0.000 0.000) 10.524 4.374 ( -2.796 0.000 0.000) 2.796 4.374 ( 2.796 0.000 0.000) 2.796 5.382 ( -1.334 0.000 0.000) 1.334 5.382 ( 1.334 0.000 0.000) 1.334 5.402 ( -14.435 0.000 0.000) 14.435 5.402 ( 14.435 0.000 0.000) 14.435 5.878 ( -8.438 0.000 0.000) 8.438 5.878 ( 8.438 0.000 0.000) 8.438 6.122 ( -15.131 0.000 0.000) 15.131 6.122 ( 15.131 0.000 0.000) 15.131 6.957 ( -1.442 0.000 0.000) 1.442 6.957 ( 1.442 0.000 0.000) 1.442 7.438 ( -7.882 0.000 0.000) 7.882 7.438 ( 7.882 0.000 0.000) 7.882 8.420 ( -0.193 0.000 0.000) 0.193 8.420 ( 0.193 0.000 0.000) 0.193 8.946 ( -3.560 0.000 0.000) 3.560 8.946 ( 3.560 0.000 0.000) 3.560 9.351 ( -8.594 0.000 0.000) 8.594 9.351 ( 8.594 0.000 0.000) 8.594 9.420 ( -0.004 0.000 0.000) 0.004 9.420 ( 0.004 0.000 0.000) 0.004 9.903 ( -9.294 0.000 0.000) 9.294 9.903 ( 9.294 0.000 0.000) 9.294 10.989 ( -1.503 0.000 0.000) 1.503 10.989 ( 1.503 0.000 0.000) 1.503 11.159 ( -12.027 0.000 0.000) 12.027 11.159 ( 12.027 0.000 0.000) 12.027 12.327 ( -0.353 0.000 0.000) 0.353 12.327 ( 0.353 0.000 0.000) 0.353 12.756 ( -0.990 0.000 0.000) 0.990 12.756 ( 0.990 0.000 0.000) 0.990 13.048 ( -2.141 0.000 0.000) 2.141 13.048 ( 2.141 0.000 0.000) 2.141 13.225 ( -1.677 0.000 0.000) 1.677 13.225 ( 1.677 0.000 0.000) 1.677 13.566 ( -0.319 0.000 0.000) 0.319 13.566 ( 0.319 0.000 0.000) 0.319 13.974 ( -0.105 0.000 0.000) 0.105 13.974 ( 0.105 0.000 0.000) 0.105 15.127 ( -1.100 0.000 0.000) 1.100 15.127 ( 1.100 0.000 0.000) 1.100 15.460 ( -1.171 0.000 0.000) 1.171 15.460 ( 1.171 0.000 0.000) 1.171 17.374 ( -0.595 0.000 0.000) 0.595 17.374 ( 0.595 0.000 0.000) 0.595 20.106 ( -3.190 0.000 0.000) 3.190 20.106 ( 3.190 0.000 0.000) 3.190 22.157 ( -0.320 0.000 0.000) 0.320 22.157 ( 0.320 0.000 0.000) 0.320 22.213 ( -5.693 0.000 0.000) 5.693 22.213 ( 5.693 0.000 0.000) 5.693 23.411 ( -1.589 0.000 0.000) 1.589 23.411 ( 1.589 0.000 0.000) 1.589 28.498 ( -2.051 0.000 0.000) 2.051 28.498 ( 2.051 0.000 0.000) 2.051 28.887 ( -0.487 0.000 0.000) 0.487 28.887 ( 0.487 0.000 0.000) 0.487 29.097 ( -0.026 0.000 0.000) 0.026 29.097 ( 0.026 0.000 0.000) 0.026 29.497 ( -0.410 0.000 0.000) 0.410 29.497 ( 0.410 0.000 0.000) 0.410 30.329 ( -3.205 0.000 0.000) 3.205 30.329 ( 3.205 0.000 0.000) 3.205 30.391 ( -6.760 0.000 0.000) 6.760 30.391 ( 6.760 0.000 0.000) 6.760 31.656 ( -1.568 0.000 0.000) 1.568 31.656 ( 1.568 0.000 0.000) 1.568 31.658 ( -0.815 0.000 0.000) 0.815 31.658 ( 0.815 0.000 0.000) 0.815 32.142 ( -7.489 0.000 0.000) 7.489 32.142 ( 7.489 0.000 0.000) 7.489 34.375 ( -0.126 0.000 0.000) 0.126 34.375 ( 0.126 0.000 0.000) 0.126 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.000 26.816 0.000) 26.816 0.669 ( 0.000 31.267 0.000) 31.267 1.285 ( 0.000 55.431 0.000) 55.431 1.483 ( 0.000 -6.612 0.000) 6.612 1.677 ( 0.000 -5.015 0.000) 5.015 1.738 ( 0.000 6.125 0.000) 6.125 2.019 ( 0.000 -7.902 0.000) 7.902 2.221 ( 0.000 8.982 0.000) 8.982 2.228 ( 0.000 9.953 0.000) 9.953 2.392 ( 0.000 19.726 0.000) 19.726 2.659 ( 0.000 -10.835 0.000) 10.835 2.767 ( 0.000 1.921 0.000) 1.921 2.867 ( 0.000 -6.157 0.000) 6.157 2.873 ( 0.000 -4.374 0.000) 4.374 3.268 ( 0.000 -16.417 0.000) 16.417 3.269 ( 0.000 0.008 0.000) 0.008 3.449 ( 0.000 -10.753 0.000) 10.753 3.471 ( 0.000 -10.891 0.000) 10.891 3.535 ( 0.000 -1.811 0.000) 1.811 3.982 ( 0.000 -4.740 0.000) 4.740 3.998 ( 0.000 -3.867 0.000) 3.867 4.063 ( 0.000 20.026 0.000) 20.026 4.399 ( 0.000 -8.842 0.000) 8.842 4.427 ( 0.000 2.532 0.000) 2.532 4.876 ( 0.000 -11.111 0.000) 11.111 4.926 ( 0.000 -11.951 0.000) 11.951 5.367 ( 0.000 1.392 0.000) 1.392 5.556 ( 0.000 5.973 0.000) 5.973 5.629 ( 0.000 -4.277 0.000) 4.277 5.754 ( 0.000 3.672 0.000) 3.672 6.107 ( 0.000 15.148 0.000) 15.148 6.555 ( 0.000 -2.428 0.000) 2.428 6.802 ( 0.000 -0.530 0.000) 0.530 6.929 ( 0.000 2.150 0.000) 2.150 7.329 ( 0.000 3.536 0.000) 3.536 7.598 ( 0.000 1.411 0.000) 1.411 8.341 ( 0.000 -3.714 0.000) 3.714 8.400 ( 0.000 -0.861 0.000) 0.861 8.690 ( 0.000 -11.767 0.000) 11.767 8.861 ( 0.000 -11.747 0.000) 11.747 9.132 ( 0.000 -12.960 0.000) 12.960 9.203 ( 0.000 -15.653 0.000) 15.653 9.311 ( 0.000 -12.220 0.000) 12.220 9.511 ( 0.000 -8.749 0.000) 8.749 10.086 ( 0.000 23.700 0.000) 23.700 10.335 ( 0.000 10.158 0.000) 10.158 10.902 ( 0.000 13.201 0.000) 13.201 11.102 ( 0.000 11.017 0.000) 11.017 11.266 ( 0.000 23.238 0.000) 23.238 11.556 ( 0.000 23.596 0.000) 23.596 12.172 ( 0.000 -11.747 0.000) 11.747 12.183 ( 0.000 -11.245 0.000) 11.245 12.669 ( 0.000 -10.498 0.000) 10.498 12.863 ( 0.000 -10.743 0.000) 10.743 13.048 ( 0.000 -5.175 0.000) 5.175 13.322 ( 0.000 10.783 0.000) 10.783 13.375 ( 0.000 9.017 0.000) 9.017 13.461 ( 0.000 -10.256 0.000) 10.256 13.630 ( 0.000 7.366 0.000) 7.366 14.001 ( 0.000 5.322 0.000) 5.322 14.135 ( 0.000 10.754 0.000) 10.754 14.353 ( 0.000 -9.204 0.000) 9.204 14.635 ( 0.000 -4.121 0.000) 4.121 15.003 ( 0.000 -8.736 0.000) 8.736 15.541 ( 0.000 6.877 0.000) 6.877 15.620 ( 0.000 15.479 0.000) 15.479 17.216 ( 0.000 -12.557 0.000) 12.557 17.258 ( 0.000 -11.461 0.000) 11.461 19.989 ( 0.000 14.902 0.000) 14.902 20.225 ( 0.000 16.223 0.000) 16.223 21.917 ( 0.000 -13.759 0.000) 13.759 22.023 ( 0.000 -13.322 0.000) 13.322 22.390 ( 0.000 5.570 0.000) 5.570 22.464 ( 0.000 4.870 0.000) 4.870 23.162 ( 0.000 -5.093 0.000) 5.093 23.297 ( 0.000 -6.847 0.000) 6.847 28.668 ( 0.000 10.102 0.000) 10.102 28.885 ( 0.000 1.014 0.000) 1.014 28.910 ( 0.000 1.201 0.000) 1.201 28.916 ( 0.000 7.652 0.000) 7.652 29.087 ( 0.000 -0.787 0.000) 0.787 29.092 ( 0.000 -0.050 0.000) 0.050 29.636 ( 0.000 10.597 0.000) 10.597 30.081 ( 0.000 -11.247 0.000) 11.247 30.097 ( 0.000 -10.474 0.000) 10.474 30.294 ( 0.000 0.403 0.000) 0.403 30.592 ( 0.000 2.360 0.000) 2.360 30.746 ( 0.000 -0.214 0.000) 0.214 31.607 ( 0.000 -0.870 0.000) 0.870 31.654 ( 0.000 -2.682 0.000) 2.682 31.657 ( 0.000 0.794 0.000) 0.794 31.683 ( 0.000 -0.693 0.000) 0.693 32.056 ( 0.000 11.682 0.000) 11.682 32.441 ( 0.000 12.395 0.000) 12.395 33.070 ( 0.000 -4.955 0.000) 4.955 34.178 ( 0.000 -16.540 0.000) 16.540 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 15.278 19.022 0.000) 24.397 0.945 ( 19.819 21.041 0.000) 28.905 1.495 ( -12.082 11.321 0.000) 16.557 1.527 ( 24.674 36.890 0.000) 44.381 1.568 ( 8.047 -6.239 0.000) 10.182 1.783 ( -18.674 6.593 0.000) 19.804 1.823 ( 3.308 -3.602 0.000) 4.891 2.192 ( -2.736 10.342 0.000) 10.698 2.194 ( -1.665 10.007 0.000) 10.145 2.575 ( 11.968 2.903 0.000) 12.315 2.684 ( 2.620 -9.471 0.000) 9.827 2.719 ( -7.837 5.374 0.000) 9.502 2.835 ( -3.409 -4.423 0.000) 5.584 2.906 ( 2.403 -6.178 0.000) 6.629 3.053 ( -25.051 1.665 0.000) 25.106 3.209 ( -5.911 -13.511 0.000) 14.747 3.323 ( 5.454 3.254 0.000) 6.351 3.481 ( 2.451 -11.355 0.000) 11.616 3.621 ( -0.057 -9.455 0.000) 9.456 3.794 ( -17.962 24.621 0.000) 30.477 4.047 ( 3.725 -10.268 0.000) 10.923 4.092 ( 0.122 -7.919 0.000) 7.920 4.165 ( 0.131 4.905 0.000) 4.907 4.369 ( -5.398 4.031 0.000) 6.737 5.002 ( 11.346 -11.518 0.000) 16.168 5.255 ( 7.501 -26.060 0.000) 27.118 5.400 ( 3.184 0.735 0.000) 3.268 5.539 ( -2.697 3.081 0.000) 4.094 5.678 ( 4.952 -4.075 0.000) 6.413 5.804 ( 3.737 -1.550 0.000) 4.046 6.184 ( 7.750 14.249 0.000) 16.220 6.492 ( -5.688 0.595 0.000) 5.719 6.825 ( 2.284 -0.077 0.000) 2.285 6.913 ( -1.622 1.394 0.000) 2.139 7.389 ( 4.586 5.282 0.000) 6.996 7.562 ( -3.729 1.969 0.000) 4.217 8.291 ( -1.586 -4.446 0.000) 4.720 8.381 ( -2.126 -2.372 0.000) 3.185 8.713 ( 2.457 -11.673 0.000) 11.929 8.836 ( -2.583 -11.790 0.000) 12.069 9.168 ( 4.166 -11.327 0.000) 12.069 9.211 ( 0.878 -15.659 0.000) 15.684 9.297 ( -1.326 -11.837 0.000) 11.911 9.451 ( -6.118 -8.619 0.000) 10.570 10.075 ( 0.383 23.914 0.000) 23.917 10.248 ( -7.364 13.917 0.000) 15.746 10.988 ( 6.915 10.996 0.000) 12.989 11.116 ( 0.262 10.141 0.000) 10.144 11.308 ( 4.712 23.230 0.000) 23.703 11.534 ( -3.229 21.257 0.000) 21.501 12.173 ( 0.115 -11.722 0.000) 11.723 12.181 ( -0.193 -11.444 0.000) 11.446 12.687 ( 2.032 -9.356 0.000) 9.574 12.831 ( -3.616 -9.956 0.000) 10.592 13.060 ( 1.406 -3.792 0.000) 4.044 13.309 ( -14.220 -0.567 0.000) 14.231 13.329 ( 0.816 10.521 0.000) 10.553 13.372 ( -1.604 8.422 0.000) 8.573 13.634 ( 0.469 7.838 0.000) 7.852 13.759 ( -13.685 18.346 0.000) 22.888 14.107 ( -1.708 9.747 0.000) 9.896 14.127 ( -0.800 10.386 0.000) 10.417 14.906 ( 8.811 -16.848 0.000) 19.012 15.002 ( -0.205 -9.479 0.000) 9.482 15.536 ( -0.472 7.333 0.000) 7.348 15.558 ( -3.240 13.659 0.000) 14.038 17.222 ( 0.665 -12.380 0.000) 12.398 17.252 ( -0.592 -11.603 0.000) 11.618 20.156 ( 9.269 7.752 0.000) 12.084 20.234 ( 0.730 15.287 0.000) 15.304 21.900 ( -0.008 -13.681 0.000) 13.681 22.000 ( -2.523 -14.089 0.000) 14.313 22.377 ( -1.222 6.533 0.000) 6.646 22.382 ( -3.801 9.960 0.000) 10.660 23.262 ( 5.206 -9.999 0.000) 11.273 23.303 ( 0.562 -7.179 0.000) 7.201 28.664 ( -0.123 10.860 0.000) 10.861 28.795 ( -9.124 14.301 0.000) 16.963 28.890 ( 0.468 1.063 0.000) 1.161 28.908 ( -0.359 1.371 0.000) 1.417 29.087 ( 0.045 -0.589 0.000) 0.591 29.091 ( -0.086 -0.130 0.000) 0.156 29.642 ( 0.928 10.930 0.000) 10.969 29.873 ( -17.125 13.076 0.000) 21.546 30.119 ( 3.832 -10.556 0.000) 11.230 30.326 ( 3.435 0.617 0.000) 3.490 30.346 ( -12.173 1.182 0.000) 12.230 30.534 ( -5.663 1.862 0.000) 5.961 31.619 ( 1.408 -0.732 0.000) 1.587 31.660 ( 0.197 0.672 0.000) 0.700 31.675 ( -0.808 -0.525 0.000) 0.964 31.681 ( -0.085 -0.636 0.000) 0.641 32.130 ( 6.871 11.191 0.000) 13.132 32.395 ( -4.799 12.203 0.000) 13.113 33.693 ( 32.045 -34.009 0.000) 46.728 34.152 ( -3.029 -18.419 0.000) 18.666 ======================= Grid point 7 (6/72) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -11.750 10.476 0.000) 15.742 1.077 ( 11.750 10.476 0.000) 15.742 1.439 ( -14.049 17.097 0.000) 22.129 1.439 ( 14.049 17.097 0.000) 22.129 1.737 ( -6.962 -4.713 0.000) 8.407 1.737 ( 6.962 -4.713 0.000) 8.407 2.089 ( -14.990 16.555 0.000) 22.333 2.089 ( 14.990 16.555 0.000) 22.333 2.297 ( -23.595 12.378 0.000) 26.644 2.297 ( 23.595 12.378 0.000) 26.644 2.744 ( -2.792 -9.493 0.000) 9.895 2.744 ( 2.792 -9.493 0.000) 9.895 2.759 ( -1.694 -1.632 0.000) 2.352 2.759 ( 1.694 -1.632 0.000) 2.352 3.069 ( -8.476 -4.918 0.000) 9.799 3.069 ( 8.476 -4.918 0.000) 9.799 3.460 ( -7.590 3.833 0.000) 8.503 3.460 ( 7.590 3.833 0.000) 8.503 3.599 ( -0.494 -0.507 0.000) 0.708 3.599 ( 0.494 -0.507 0.000) 0.708 4.083 ( -0.719 -15.070 0.000) 15.087 4.083 ( 0.719 -15.070 0.000) 15.087 4.254 ( -6.453 8.478 0.000) 10.654 4.254 ( 6.453 8.478 0.000) 10.654 5.207 ( -8.983 -16.355 0.000) 18.659 5.207 ( 8.983 -16.355 0.000) 18.659 5.469 ( -4.040 1.231 0.000) 4.224 5.469 ( 4.040 1.231 0.000) 4.224 5.785 ( -5.240 -4.647 0.000) 7.004 5.785 ( 5.240 -4.647 0.000) 7.004 6.354 ( -9.279 9.110 0.000) 13.004 6.354 ( 9.279 9.110 0.000) 13.004 6.873 ( -2.598 0.354 0.000) 2.622 6.873 ( 2.598 0.354 0.000) 2.622 7.476 ( -4.993 4.060 0.000) 6.436 7.476 ( 4.993 4.060 0.000) 6.436 8.324 ( -3.661 -5.388 0.000) 6.514 8.324 ( 3.661 -5.388 0.000) 6.514 8.774 ( -3.758 -11.751 0.000) 12.337 8.774 ( 3.758 -11.751 0.000) 12.337 9.230 ( -0.273 -15.550 0.000) 15.552 9.230 ( 0.273 -15.550 0.000) 15.552 9.320 ( -6.281 -7.848 0.000) 10.051 9.320 ( 6.281 -7.848 0.000) 10.051 10.125 ( -5.033 19.656 0.000) 20.290 10.125 ( 5.033 19.656 0.000) 20.290 11.089 ( -3.412 10.244 0.000) 10.797 11.089 ( 3.412 10.244 0.000) 10.797 11.429 ( -7.347 21.583 0.000) 22.799 11.429 ( 7.347 21.583 0.000) 22.799 12.177 ( -0.238 -11.641 0.000) 11.643 12.177 ( 0.238 -11.641 0.000) 11.643 12.747 ( -4.446 -7.802 0.000) 8.980 12.747 ( 4.446 -7.802 0.000) 8.980 13.114 ( -5.443 0.812 0.000) 5.504 13.114 ( 5.443 0.812 0.000) 5.504 13.349 ( -1.207 9.894 0.000) 9.968 13.349 ( 1.207 9.894 0.000) 9.968 13.653 ( -1.942 10.168 0.000) 10.352 13.653 ( 1.942 10.168 0.000) 10.352 14.110 ( -0.909 9.607 0.000) 9.650 14.110 ( 0.909 9.607 0.000) 9.650 14.988 ( -1.738 -12.111 0.000) 12.235 14.988 ( 1.738 -12.111 0.000) 12.235 15.531 ( -0.171 9.264 0.000) 9.266 15.531 ( 0.171 9.264 0.000) 9.266 17.237 ( -0.901 -11.972 0.000) 12.006 17.237 ( 0.901 -11.972 0.000) 12.006 20.238 ( -0.928 12.077 0.000) 12.113 20.238 ( 0.928 12.077 0.000) 12.113 21.939 ( -3.520 -14.906 0.000) 15.316 21.939 ( 3.520 -14.906 0.000) 15.316 22.357 ( -0.422 8.589 0.000) 8.600 22.357 ( 0.422 8.589 0.000) 8.600 23.308 ( -0.483 -8.438 0.000) 8.452 23.308 ( 0.483 -8.438 0.000) 8.452 28.683 ( -2.829 13.487 0.000) 13.781 28.683 ( 2.829 13.487 0.000) 13.781 28.900 ( -0.556 1.181 0.000) 1.305 28.900 ( 0.556 1.181 0.000) 1.305 29.089 ( -0.128 -0.338 0.000) 0.362 29.089 ( 0.128 -0.338 0.000) 0.362 29.687 ( -4.661 13.068 0.000) 13.875 29.687 ( 4.661 13.068 0.000) 13.875 30.209 ( -5.656 -8.234 0.000) 9.989 30.209 ( 5.656 -8.234 0.000) 9.989 30.417 ( -6.163 1.111 0.000) 6.263 30.417 ( 6.163 1.111 0.000) 6.263 31.648 ( -1.501 -0.468 0.000) 1.572 31.648 ( 1.501 -0.468 0.000) 1.572 31.671 ( -0.545 0.471 0.000) 0.720 31.671 ( 0.545 0.471 0.000) 0.720 32.274 ( -7.837 11.674 0.000) 14.060 32.274 ( 7.837 11.674 0.000) 14.060 34.044 ( -9.910 -25.039 0.000) 26.929 34.044 ( 9.910 -25.039 0.000) 26.929 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 16.458 0.000) 16.458 1.304 ( 0.000 22.341 0.000) 22.341 1.352 ( 0.000 -3.235 0.000) 3.235 1.644 ( 0.000 7.890 0.000) 7.890 1.724 ( 0.000 -4.155 0.000) 4.155 1.856 ( 0.000 -3.663 0.000) 3.663 2.353 ( 0.000 -9.480 0.000) 9.480 2.403 ( 0.000 5.991 0.000) 5.991 2.431 ( 0.000 39.512 0.000) 39.512 2.442 ( 0.000 -12.963 0.000) 12.963 2.488 ( 0.000 13.192 0.000) 13.192 2.715 ( 0.000 -4.596 0.000) 4.596 2.796 ( 0.000 -9.528 0.000) 9.528 2.811 ( 0.000 -5.240 0.000) 5.240 2.969 ( 0.000 -7.787 0.000) 7.787 3.030 ( 0.000 -13.996 0.000) 13.996 3.253 ( 0.000 -3.676 0.000) 3.676 3.680 ( 0.000 11.747 0.000) 11.747 3.697 ( 0.000 22.313 0.000) 22.313 3.825 ( 0.000 -12.613 0.000) 12.613 3.983 ( 0.000 7.328 0.000) 7.328 4.183 ( 0.000 -4.819 0.000) 4.819 4.461 ( 0.000 4.846 0.000) 4.846 4.548 ( 0.000 22.145 0.000) 22.145 4.564 ( 0.000 -17.287 0.000) 17.287 4.620 ( 0.000 -16.054 0.000) 16.054 5.337 ( 0.000 -6.353 0.000) 6.353 5.486 ( 0.000 -13.355 0.000) 13.355 5.568 ( 0.000 -0.596 0.000) 0.596 5.873 ( 0.000 7.019 0.000) 7.019 5.953 ( 0.000 -21.729 0.000) 21.729 6.308 ( 0.000 -14.414 0.000) 14.414 7.034 ( 0.000 16.575 0.000) 16.575 7.365 ( 0.000 29.808 0.000) 29.808 7.409 ( 0.000 2.230 0.000) 2.230 7.720 ( 0.000 9.572 0.000) 9.572 8.293 ( 0.000 0.557 0.000) 0.557 8.355 ( 0.000 -3.657 0.000) 3.657 8.485 ( 0.000 -6.345 0.000) 6.345 8.605 ( 0.000 -13.287 0.000) 13.287 8.861 ( 0.000 -10.744 0.000) 10.744 8.869 ( 0.000 -10.656 0.000) 10.656 8.973 ( 0.000 -16.284 0.000) 16.284 9.199 ( 0.000 -17.723 0.000) 17.723 10.631 ( 0.000 25.470 0.000) 25.470 10.682 ( 0.000 19.468 0.000) 19.468 11.190 ( 0.000 8.408 0.000) 8.408 11.361 ( 0.000 5.379 0.000) 5.379 11.793 ( 0.000 18.812 0.000) 18.812 11.959 ( 0.000 -2.618 0.000) 2.618 11.959 ( 0.000 0.313 0.000) 0.313 12.114 ( 0.000 26.385 0.000) 26.385 12.367 ( 0.000 -16.218 0.000) 16.218 12.557 ( 0.000 -16.780 0.000) 16.780 12.818 ( 0.000 -15.764 0.000) 15.764 13.143 ( 0.000 -18.731 0.000) 18.731 13.583 ( 0.000 12.323 0.000) 12.323 13.603 ( 0.000 11.369 0.000) 11.369 13.822 ( 0.000 7.006 0.000) 7.006 14.063 ( 0.000 -5.769 0.000) 5.769 14.210 ( 0.000 2.364 0.000) 2.364 14.299 ( 0.000 4.955 0.000) 4.955 14.513 ( 0.000 -6.861 0.000) 6.861 14.757 ( 0.000 -13.136 0.000) 13.136 15.852 ( 0.000 21.238 0.000) 21.238 16.024 ( 0.000 20.815 0.000) 20.815 16.854 ( 0.000 -20.150 0.000) 20.150 16.925 ( 0.000 -18.468 0.000) 18.468 20.419 ( 0.000 23.711 0.000) 23.711 20.663 ( 0.000 22.675 0.000) 22.675 21.511 ( 0.000 -22.872 0.000) 22.872 21.641 ( 0.000 -20.717 0.000) 20.717 22.572 ( 0.000 10.676 0.000) 10.676 22.609 ( 0.000 8.256 0.000) 8.256 23.010 ( 0.000 -8.605 0.000) 8.605 23.094 ( 0.000 -11.353 0.000) 11.353 28.897 ( 0.000 7.420 0.000) 7.420 28.914 ( 0.000 1.546 0.000) 1.546 28.946 ( 0.000 2.050 0.000) 2.050 29.036 ( 0.000 -0.979 0.000) 0.979 29.142 ( 0.000 7.471 0.000) 7.471 29.169 ( 0.000 12.281 0.000) 12.281 29.783 ( 0.000 -15.640 0.000) 15.640 29.813 ( 0.000 -14.936 0.000) 14.936 29.900 ( 0.000 12.459 0.000) 12.459 30.266 ( 0.000 -3.367 0.000) 3.367 30.654 ( 0.000 3.013 0.000) 3.013 30.737 ( 0.000 -0.716 0.000) 0.716 31.584 ( 0.000 -0.976 0.000) 0.976 31.601 ( 0.000 -2.026 0.000) 2.026 31.662 ( 0.000 -0.353 0.000) 0.353 31.664 ( 0.000 -0.848 0.000) 0.848 32.353 ( 0.000 14.708 0.000) 14.708 32.799 ( 0.000 19.672 0.000) 19.672 32.912 ( 0.000 -9.608 0.000) 9.608 33.739 ( 0.000 -22.316 0.000) 22.316 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 6.577 14.045 0.000) 15.509 1.435 ( 10.377 19.613 0.000) 22.189 1.451 ( 9.186 -2.891 0.000) 9.630 1.521 ( -8.059 3.179 0.000) 8.663 1.795 ( 2.240 0.785 0.000) 2.373 1.830 ( -2.654 2.447 0.000) 3.610 2.345 ( -0.308 -0.099 0.000) 0.323 2.426 ( 4.936 -2.369 0.000) 5.475 2.449 ( -1.706 5.948 0.000) 6.188 2.476 ( 3.134 28.707 0.000) 28.878 2.486 ( 1.949 -6.174 0.000) 6.475 2.662 ( -5.238 -6.025 0.000) 7.984 2.758 ( -2.780 -7.008 0.000) 7.540 2.826 ( 0.841 -9.181 0.000) 9.220 2.954 ( -1.551 -5.233 0.000) 5.458 2.995 ( -4.383 -7.173 0.000) 8.406 3.267 ( 1.465 -3.803 0.000) 4.075 3.489 ( -13.834 15.921 0.000) 21.092 3.747 ( 4.062 15.787 0.000) 16.301 3.833 ( 0.548 -11.330 0.000) 11.343 3.975 ( -1.639 2.262 0.000) 2.793 4.087 ( -8.292 3.524 0.000) 9.009 4.462 ( 1.293 9.305 0.000) 9.394 4.484 ( -1.073 17.657 0.000) 17.689 4.677 ( 8.161 -17.373 0.000) 19.194 4.759 ( 6.285 -16.715 0.000) 17.858 5.350 ( 1.760 -6.615 0.000) 6.845 5.467 ( -2.230 -11.495 0.000) 11.709 5.617 ( 4.833 -0.891 0.000) 4.915 5.826 ( -4.502 3.589 0.000) 5.758 6.013 ( 5.797 -21.504 0.000) 22.271 6.244 ( -5.776 -16.012 0.000) 17.022 7.106 ( 6.890 18.837 0.000) 20.057 7.331 ( -3.467 28.304 0.000) 28.515 7.499 ( 7.691 3.574 0.000) 8.481 7.692 ( -2.870 9.508 0.000) 9.931 8.242 ( -3.499 0.644 0.000) 3.558 8.316 ( -3.993 -3.847 0.000) 5.545 8.505 ( 1.967 -7.043 0.000) 7.312 8.590 ( -1.640 -12.143 0.000) 12.254 8.860 ( 0.077 -11.887 0.000) 11.887 8.882 ( 0.566 -12.701 0.000) 12.714 8.975 ( 1.327 -15.082 0.000) 15.141 9.151 ( -4.770 -16.648 0.000) 17.318 10.624 ( -0.573 25.400 0.000) 25.406 10.654 ( -2.295 21.301 0.000) 21.424 11.238 ( 4.279 6.417 0.000) 7.713 11.354 ( -1.060 4.551 0.000) 4.673 11.838 ( 4.715 18.853 0.000) 19.434 11.958 ( -0.113 -3.328 0.000) 3.330 11.959 ( 0.080 1.633 0.000) 1.635 12.070 ( -4.644 25.716 0.000) 26.132 12.402 ( 3.554 -15.589 0.000) 15.989 12.538 ( -2.148 -16.053 0.000) 16.196 12.846 ( 3.058 -15.504 0.000) 15.803 13.070 ( -7.006 -17.120 0.000) 18.498 13.586 ( 0.359 12.233 0.000) 12.238 13.601 ( -0.260 11.552 0.000) 11.555 13.834 ( 1.432 7.016 0.000) 7.161 13.977 ( -6.575 1.386 0.000) 6.720 14.222 ( 1.284 3.428 0.000) 3.661 14.286 ( -1.409 4.764 0.000) 4.968 14.592 ( 6.115 -11.702 0.000) 13.203 14.742 ( -1.770 -13.488 0.000) 13.603 15.860 ( 1.023 21.729 0.000) 21.753 15.971 ( -4.555 22.329 0.000) 22.788 16.864 ( 1.046 -20.006 0.000) 20.034 16.915 ( -1.089 -18.833 0.000) 18.864 20.493 ( 6.459 21.190 0.000) 22.153 20.650 ( -1.502 21.829 0.000) 21.881 21.511 ( 0.570 -21.603 0.000) 21.611 21.611 ( -2.976 -20.669 0.000) 20.883 22.570 ( -0.134 10.902 0.000) 10.903 22.589 ( -1.477 9.857 0.000) 9.967 23.046 ( 2.858 -10.347 0.000) 10.734 23.095 ( -0.006 -11.475 0.000) 11.475 28.900 ( 0.536 6.356 0.000) 6.379 28.924 ( 0.978 2.662 0.000) 2.836 28.940 ( -0.716 2.068 0.000) 2.189 29.010 ( -2.800 1.451 0.000) 3.154 29.140 ( -0.169 7.621 0.000) 7.623 29.152 ( -1.210 11.358 0.000) 11.422 29.756 ( -1.368 -10.515 0.000) 10.604 29.789 ( -2.198 -13.084 0.000) 13.267 29.985 ( 7.831 7.515 0.000) 10.854 30.306 ( 4.283 -2.861 0.000) 5.151 30.481 ( -19.483 6.517 0.000) 20.544 30.573 ( -7.783 1.282 0.000) 7.887 31.604 ( 1.901 -0.510 0.000) 1.968 31.644 ( 2.118 -2.249 0.000) 3.089 31.658 ( -0.672 -0.611 0.000) 0.908 31.664 ( 0.032 -0.596 0.000) 0.597 32.436 ( 8.094 15.885 0.000) 17.828 32.747 ( -5.499 19.286 0.000) 20.054 33.156 ( 20.450 -18.797 0.000) 27.776 33.683 ( -6.304 -23.050 0.000) 23.896 ======================= Grid point 12 (9/72) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -10.194 11.058 0.000) 15.040 1.327 ( 10.194 11.058 0.000) 15.040 1.586 ( -0.738 -0.927 0.000) 1.185 1.586 ( 0.738 -0.927 0.000) 1.185 1.784 ( -0.140 10.542 0.000) 10.543 1.784 ( 0.140 10.542 0.000) 10.543 2.390 ( -3.926 6.028 0.000) 7.194 2.390 ( 3.926 6.028 0.000) 7.194 2.512 ( -1.885 -5.807 0.000) 6.105 2.512 ( 1.885 -5.807 0.000) 6.105 2.555 ( -5.050 -5.726 0.000) 7.635 2.555 ( 5.050 -5.726 0.000) 7.635 2.773 ( -5.908 -0.498 0.000) 5.929 2.773 ( 5.908 -0.498 0.000) 5.929 2.927 ( -0.168 2.334 0.000) 2.340 2.927 ( 0.168 2.334 0.000) 2.340 3.315 ( -4.653 1.689 0.000) 4.950 3.315 ( 4.653 1.689 0.000) 4.950 3.824 ( -2.658 1.226 0.000) 2.928 3.824 ( 2.658 1.226 0.000) 2.928 3.967 ( -2.782 5.887 0.000) 6.512 3.967 ( 2.782 5.887 0.000) 6.512 4.481 ( -0.287 15.503 0.000) 15.505 4.481 ( 0.287 15.503 0.000) 15.505 4.788 ( -2.908 -19.542 0.000) 19.757 4.788 ( 2.908 -19.542 0.000) 19.757 5.406 ( -3.873 -7.906 0.000) 8.804 5.406 ( 3.873 -7.906 0.000) 8.804 5.724 ( -6.159 -0.455 0.000) 6.176 5.724 ( 6.159 -0.455 0.000) 6.176 6.131 ( -6.319 -19.820 0.000) 20.803 6.131 ( 6.319 -19.820 0.000) 20.803 7.240 ( -6.480 23.838 0.000) 24.703 7.240 ( 6.480 23.838 0.000) 24.703 7.621 ( -4.916 7.909 0.000) 9.312 7.621 ( 4.916 7.909 0.000) 9.312 8.236 ( -3.185 -2.379 0.000) 3.976 8.236 ( 3.185 -2.379 0.000) 3.976 8.549 ( -2.529 -9.349 0.000) 9.685 8.549 ( 2.529 -9.349 0.000) 9.685 8.871 ( -1.086 -14.005 0.000) 14.047 8.871 ( 1.086 -14.005 0.000) 14.047 9.047 ( -5.696 -14.623 0.000) 15.693 9.047 ( 5.696 -14.623 0.000) 15.693 10.623 ( -0.758 24.087 0.000) 24.099 10.623 ( 0.758 24.087 0.000) 24.099 11.314 ( -3.315 4.232 0.000) 5.375 11.314 ( 3.315 4.232 0.000) 5.375 11.943 ( -4.039 4.284 0.000) 5.888 11.943 ( 4.039 4.284 0.000) 5.888 11.970 ( -2.959 17.173 0.000) 17.426 11.970 ( 2.959 17.173 0.000) 17.426 12.479 ( -4.099 -15.124 0.000) 15.669 12.479 ( 4.099 -15.124 0.000) 15.669 12.935 ( -6.530 -15.330 0.000) 16.663 12.935 ( 6.530 -15.330 0.000) 16.663 13.594 ( -0.448 11.945 0.000) 11.953 13.594 ( 0.448 11.945 0.000) 11.953 13.880 ( -3.687 6.260 0.000) 7.265 13.880 ( 3.687 6.260 0.000) 7.265 14.253 ( -1.932 4.234 0.000) 4.654 14.253 ( 1.932 4.234 0.000) 4.654 14.689 ( -4.061 -13.858 0.000) 14.440 14.689 ( 4.061 -13.858 0.000) 14.440 15.896 ( -3.055 22.699 0.000) 22.904 15.896 ( 3.055 22.699 0.000) 22.904 16.889 ( -1.514 -19.527 0.000) 19.585 16.889 ( 1.514 -19.527 0.000) 19.585 20.599 ( -4.260 20.260 0.000) 20.702 20.599 ( 4.260 20.260 0.000) 20.702 21.548 ( -3.245 -20.639 0.000) 20.893 21.548 ( 3.245 -20.639 0.000) 20.893 22.571 ( -0.405 11.024 0.000) 11.031 22.571 ( 0.405 11.024 0.000) 11.031 23.086 ( -1.251 -11.529 0.000) 11.597 23.086 ( 1.251 -11.529 0.000) 11.597 28.920 ( -1.355 3.465 0.000) 3.720 28.920 ( 1.355 3.465 0.000) 3.720 28.953 ( -2.518 4.466 0.000) 5.127 28.953 ( 2.518 4.466 0.000) 5.127 29.139 ( -0.171 8.689 0.000) 8.691 29.139 ( 0.171 8.689 0.000) 8.691 29.754 ( -1.104 -10.234 0.000) 10.293 29.754 ( 1.104 -10.234 0.000) 10.293 30.175 ( -13.064 7.500 0.000) 15.064 30.175 ( 13.064 7.500 0.000) 15.064 30.420 ( -7.802 -1.301 0.000) 7.909 30.420 ( 7.802 -1.301 0.000) 7.909 31.637 ( -1.531 -0.384 0.000) 1.579 31.637 ( 1.531 -0.384 0.000) 1.579 31.662 ( -0.274 -1.151 0.000) 1.183 31.662 ( 0.274 -1.151 0.000) 1.183 32.607 ( -9.225 17.970 0.000) 20.199 32.607 ( 9.225 17.970 0.000) 20.199 33.494 ( -14.467 -23.850 0.000) 27.895 33.494 ( 14.467 -23.850 0.000) 27.895 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.000 -3.847 0.000) 3.847 1.320 ( 0.000 3.847 0.000) 3.847 1.545 ( 0.000 -8.841 0.000) 8.841 1.545 ( 0.000 8.841 0.000) 8.841 2.011 ( 0.000 -18.946 0.000) 18.946 2.011 ( 0.000 18.946 0.000) 18.946 2.088 ( 0.000 -20.254 0.000) 20.254 2.088 ( 0.000 20.254 0.000) 20.254 2.496 ( 0.000 -7.525 0.000) 7.525 2.496 ( 0.000 7.525 0.000) 7.525 2.698 ( 0.000 -2.685 0.000) 2.685 2.698 ( 0.000 2.685 0.000) 2.685 2.770 ( 0.000 -12.208 0.000) 12.208 2.770 ( 0.000 12.208 0.000) 12.208 2.932 ( 0.000 -1.595 0.000) 1.595 2.932 ( 0.000 1.595 0.000) 1.595 3.446 ( 0.000 -20.677 0.000) 20.677 3.446 ( 0.000 20.677 0.000) 20.677 3.907 ( 0.000 -5.364 0.000) 5.364 3.907 ( 0.000 5.364 0.000) 5.364 4.185 ( 0.000 -14.772 0.000) 14.772 4.185 ( 0.000 14.772 0.000) 14.772 4.279 ( 0.000 -13.023 0.000) 13.023 4.279 ( 0.000 13.023 0.000) 13.023 4.921 ( 0.000 -30.488 0.000) 30.488 4.921 ( 0.000 30.488 0.000) 30.488 5.052 ( 0.000 -23.663 0.000) 23.663 5.052 ( 0.000 23.663 0.000) 23.663 5.618 ( 0.000 -6.353 0.000) 6.353 5.618 ( 0.000 6.353 0.000) 6.353 6.051 ( 0.000 -9.569 0.000) 9.569 6.051 ( 0.000 9.569 0.000) 9.569 7.342 ( 0.000 -9.473 0.000) 9.473 7.342 ( 0.000 9.473 0.000) 9.473 7.844 ( 0.000 -7.397 0.000) 7.397 7.844 ( 0.000 7.397 0.000) 7.397 8.318 ( 0.000 -6.606 0.000) 6.606 8.318 ( 0.000 6.606 0.000) 6.606 8.375 ( 0.000 -5.410 0.000) 5.410 8.375 ( 0.000 5.410 0.000) 5.410 8.744 ( 0.000 -1.825 0.000) 1.825 8.744 ( 0.000 1.825 0.000) 1.825 8.865 ( 0.000 -9.980 0.000) 9.980 8.865 ( 0.000 9.980 0.000) 9.980 11.086 ( 0.000 -15.589 0.000) 15.589 11.086 ( 0.000 15.589 0.000) 15.589 11.143 ( 0.000 -20.433 0.000) 20.433 11.143 ( 0.000 20.433 0.000) 20.433 12.015 ( 0.000 -14.586 0.000) 14.586 12.015 ( 0.000 14.586 0.000) 14.586 12.172 ( 0.000 -17.554 0.000) 17.554 12.172 ( 0.000 17.554 0.000) 17.554 12.393 ( 0.000 -22.862 0.000) 22.862 12.393 ( 0.000 22.862 0.000) 22.862 12.672 ( 0.000 -24.353 0.000) 24.353 12.672 ( 0.000 24.353 0.000) 24.353 13.812 ( 0.000 -7.474 0.000) 7.474 13.812 ( 0.000 7.474 0.000) 7.474 13.850 ( 0.000 -11.188 0.000) 11.188 13.850 ( 0.000 11.188 0.000) 11.188 14.352 ( 0.000 -7.748 0.000) 7.748 14.352 ( 0.000 7.748 0.000) 7.748 14.474 ( 0.000 -11.858 0.000) 11.858 14.474 ( 0.000 11.858 0.000) 11.858 16.367 ( 0.000 -24.317 0.000) 24.317 16.367 ( 0.000 24.317 0.000) 24.317 16.487 ( 0.000 -21.398 0.000) 21.398 16.487 ( 0.000 21.398 0.000) 21.398 20.970 ( 0.000 -26.205 0.000) 26.205 20.970 ( 0.000 26.205 0.000) 26.205 21.163 ( 0.000 -22.983 0.000) 22.983 21.163 ( 0.000 22.983 0.000) 22.983 22.807 ( 0.000 -9.673 0.000) 9.673 22.807 ( 0.000 9.673 0.000) 9.673 22.829 ( 0.000 -12.583 0.000) 12.583 22.829 ( 0.000 12.583 0.000) 12.583 28.943 ( 0.000 -0.790 0.000) 0.790 28.943 ( 0.000 0.790 0.000) 0.790 28.995 ( 0.000 -2.284 0.000) 2.284 28.995 ( 0.000 2.284 0.000) 2.284 29.430 ( 0.000 -16.273 0.000) 16.273 29.430 ( 0.000 16.273 0.000) 16.273 29.479 ( 0.000 -15.426 0.000) 15.426 29.479 ( 0.000 15.426 0.000) 15.426 30.136 ( 0.000 -8.768 0.000) 8.768 30.136 ( 0.000 8.768 0.000) 8.768 30.709 ( 0.000 -1.935 0.000) 1.935 30.709 ( 0.000 1.935 0.000) 1.935 31.575 ( 0.000 -0.289 0.000) 0.289 31.575 ( 0.000 0.289 0.000) 0.289 31.654 ( 0.000 -0.049 0.000) 0.049 31.654 ( 0.000 0.049 0.000) 0.049 32.661 ( 0.000 -13.283 0.000) 13.283 32.661 ( 0.000 13.283 0.000) 13.283 33.255 ( 0.000 -22.015 0.000) 22.015 33.255 ( 0.000 22.015 0.000) 22.015 ======================= Grid point 17 (11/72) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 6.666 -5.902 0.000) 8.903 1.388 ( 6.666 5.902 0.000) 8.903 1.569 ( 0.796 -5.627 0.000) 5.682 1.569 ( 0.796 5.627 0.000) 5.682 2.055 ( 4.448 -19.471 0.000) 19.972 2.055 ( 4.448 19.471 0.000) 19.972 2.119 ( 3.375 -20.968 0.000) 21.238 2.119 ( 3.375 20.968 0.000) 21.238 2.436 ( -4.845 -5.749 0.000) 7.518 2.436 ( -4.845 5.749 0.000) 7.518 2.600 ( -8.573 -1.478 0.000) 8.700 2.600 ( -8.573 1.478 0.000) 8.700 2.811 ( 2.880 -8.742 0.000) 9.204 2.811 ( 2.880 8.742 0.000) 9.204 2.915 ( -1.917 -6.267 0.000) 6.554 2.915 ( -1.917 6.267 0.000) 6.554 3.497 ( 5.183 -19.855 0.000) 20.521 3.497 ( 5.183 19.855 0.000) 20.521 3.800 ( -9.342 -11.014 0.000) 14.442 3.800 ( -9.342 11.014 0.000) 14.442 4.229 ( 3.258 -20.410 0.000) 20.668 4.229 ( 3.258 20.410 0.000) 20.668 4.285 ( 0.291 -16.167 0.000) 16.170 4.285 ( 0.291 16.167 0.000) 16.170 4.965 ( 3.939 -27.905 0.000) 28.182 4.965 ( 3.939 27.905 0.000) 28.182 5.052 ( -0.213 -23.789 0.000) 23.789 5.052 ( -0.213 23.789 0.000) 23.789 5.672 ( 5.532 -7.265 0.000) 9.131 5.672 ( 5.532 7.265 0.000) 9.131 5.968 ( -7.812 -9.351 0.000) 12.185 5.968 ( -7.812 9.351 0.000) 12.185 7.445 ( 9.739 -9.977 0.000) 13.942 7.445 ( 9.739 9.977 0.000) 13.942 7.791 ( -5.642 -8.442 0.000) 10.154 7.791 ( -5.642 8.442 0.000) 10.154 8.307 ( -0.859 -8.364 0.000) 8.408 8.307 ( -0.859 8.364 0.000) 8.408 8.349 ( -2.495 -8.135 0.000) 8.509 8.349 ( -2.495 8.135 0.000) 8.509 8.752 ( 1.178 -3.273 0.000) 3.479 8.752 ( 1.178 3.273 0.000) 3.479 8.843 ( -2.308 -9.041 0.000) 9.331 8.843 ( -2.308 9.041 0.000) 9.331 11.090 ( 0.544 -17.098 0.000) 17.107 11.090 ( 0.544 17.098 0.000) 17.107 11.132 ( -1.105 -20.258 0.000) 20.288 11.132 ( -1.105 20.258 0.000) 20.288 12.051 ( 3.427 -14.449 0.000) 14.850 12.051 ( 3.427 14.449 0.000) 14.850 12.159 ( -1.441 -16.653 0.000) 16.716 12.159 ( -1.441 16.653 0.000) 16.716 12.423 ( 3.362 -22.686 0.000) 22.934 12.423 ( 3.362 22.686 0.000) 22.934 12.622 ( -4.937 -23.450 0.000) 23.964 12.622 ( -4.937 23.450 0.000) 23.964 13.818 ( 0.594 -7.803 0.000) 7.826 13.818 ( 0.594 7.803 0.000) 7.826 13.845 ( -0.526 -10.358 0.000) 10.371 13.845 ( -0.526 10.358 0.000) 10.371 14.371 ( 2.007 -9.112 0.000) 9.330 14.371 ( 2.007 9.112 0.000) 9.330 14.458 ( -1.686 -11.722 0.000) 11.843 14.458 ( -1.686 11.722 0.000) 11.843 16.379 ( 1.346 -24.282 0.000) 24.320 16.379 ( 1.346 24.282 0.000) 24.320 16.463 ( -2.336 -22.365 0.000) 22.487 16.463 ( -2.336 22.365 0.000) 22.487 21.001 ( 3.188 -24.560 0.000) 24.766 21.001 ( 3.188 24.560 0.000) 24.766 21.137 ( -2.656 -22.644 0.000) 22.800 21.137 ( -2.656 22.644 0.000) 22.800 22.814 ( 0.643 -10.788 0.000) 10.807 22.814 ( 0.643 10.788 0.000) 10.807 22.829 ( -0.033 -12.598 0.000) 12.598 22.829 ( -0.033 12.598 0.000) 12.598 28.948 ( 0.587 -1.003 0.000) 1.162 28.948 ( 0.587 1.003 0.000) 1.162 28.985 ( -0.938 -2.049 0.000) 2.253 28.985 ( -0.938 2.049 0.000) 2.253 29.431 ( 0.198 -16.162 0.000) 16.163 29.431 ( 0.198 16.162 0.000) 16.163 29.466 ( -1.269 -15.626 0.000) 15.678 29.466 ( -1.269 15.626 0.000) 15.678 30.188 ( 5.685 -8.093 0.000) 9.890 30.188 ( 5.685 8.093 0.000) 9.890 30.570 ( -12.367 -1.903 0.000) 12.513 30.570 ( -12.367 1.903 0.000) 12.513 31.606 ( 2.356 -0.935 0.000) 2.535 31.606 ( 2.356 0.935 0.000) 2.535 31.652 ( -0.342 -0.207 0.000) 0.400 31.652 ( -0.342 0.207 0.000) 0.400 32.787 ( 11.862 -16.316 0.000) 20.172 32.787 ( 11.862 16.316 0.000) 20.172 33.196 ( -6.463 -21.763 0.000) 22.702 33.196 ( -6.463 21.763 0.000) 22.702 ======================= Grid point 19 (12/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -6.033 -6.079 0.000) 8.564 1.519 ( 6.033 -6.079 0.000) 8.564 1.519 ( -6.033 6.079 0.000) 8.564 1.519 ( 6.033 6.079 0.000) 8.564 2.143 ( -3.249 -21.947 0.000) 22.186 2.143 ( 3.249 -21.947 0.000) 22.186 2.143 ( -3.249 21.947 0.000) 22.186 2.143 ( 3.249 21.947 0.000) 22.186 2.434 ( -6.858 -2.596 0.000) 7.333 2.434 ( -6.858 2.596 0.000) 7.333 2.434 ( 6.858 -2.596 0.000) 7.333 2.434 ( 6.858 2.596 0.000) 7.333 2.866 ( -3.069 -7.977 0.000) 8.547 2.866 ( 3.069 -7.977 0.000) 8.547 2.866 ( -3.069 7.977 0.000) 8.547 2.866 ( 3.069 7.977 0.000) 8.547 3.626 ( -8.593 -16.549 0.000) 18.647 3.626 ( 8.593 -16.549 0.000) 18.647 3.626 ( -8.593 16.549 0.000) 18.647 3.626 ( 8.593 16.549 0.000) 18.647 4.275 ( -1.528 -20.744 0.000) 20.800 4.275 ( 1.528 -20.744 0.000) 20.800 4.275 ( -1.528 20.744 0.000) 20.800 4.275 ( 1.528 20.744 0.000) 20.800 5.030 ( -2.453 -25.001 0.000) 25.121 5.030 ( 2.453 -25.001 0.000) 25.121 5.030 ( -2.453 25.001 0.000) 25.121 5.030 ( 2.453 25.001 0.000) 25.121 5.807 ( -8.681 -8.671 0.000) 12.270 5.807 ( 8.681 -8.671 0.000) 12.270 5.807 ( -8.681 8.671 0.000) 12.270 5.807 ( 8.681 8.671 0.000) 12.270 7.642 ( -10.206 -9.954 0.000) 14.257 7.642 ( 10.206 -9.954 0.000) 14.257 7.642 ( -10.206 9.954 0.000) 14.257 7.642 ( 10.206 9.954 0.000) 14.257 8.307 ( -1.319 -10.413 0.000) 10.496 8.307 ( 1.319 -10.413 0.000) 10.496 8.307 ( -1.319 10.413 0.000) 10.496 8.307 ( 1.319 10.413 0.000) 10.496 8.791 ( -2.847 -6.496 0.000) 7.092 8.791 ( 2.847 -6.496 0.000) 7.092 8.791 ( -2.847 6.496 0.000) 7.092 8.791 ( 2.847 6.496 0.000) 7.092 11.108 ( -1.292 -19.270 0.000) 19.314 11.108 ( 1.292 -19.270 0.000) 19.314 11.108 ( -1.292 19.270 0.000) 19.314 11.108 ( 1.292 19.270 0.000) 19.314 12.117 ( -3.120 -14.928 0.000) 15.250 12.117 ( 3.120 -14.928 0.000) 15.250 12.117 ( -3.120 14.928 0.000) 15.250 12.117 ( 3.120 14.928 0.000) 15.250 12.514 ( -6.048 -22.460 0.000) 23.260 12.514 ( 6.048 -22.460 0.000) 23.260 12.514 ( -6.048 22.460 0.000) 23.260 12.514 ( 6.048 22.460 0.000) 23.260 13.832 ( -0.813 -8.839 0.000) 8.876 13.832 ( 0.813 -8.839 0.000) 8.876 13.832 ( -0.813 8.839 0.000) 8.876 13.832 ( 0.813 8.839 0.000) 8.876 14.417 ( -2.596 -10.952 0.000) 11.255 14.417 ( 2.596 -10.952 0.000) 11.255 14.417 ( -2.596 10.952 0.000) 11.255 14.417 ( 2.596 10.952 0.000) 11.255 16.415 ( -2.498 -23.768 0.000) 23.899 16.415 ( 2.498 -23.768 0.000) 23.899 16.415 ( -2.498 23.768 0.000) 23.899 16.415 ( 2.498 23.768 0.000) 23.899 21.073 ( -4.065 -22.632 0.000) 22.994 21.073 ( 4.065 -22.632 0.000) 22.994 21.073 ( -4.065 22.632 0.000) 22.994 21.073 ( 4.065 22.632 0.000) 22.994 22.825 ( -0.432 -12.197 0.000) 12.205 22.825 ( 0.432 -12.197 0.000) 12.205 22.825 ( -0.432 12.197 0.000) 12.205 22.825 ( 0.432 12.197 0.000) 12.205 28.965 ( -1.123 -1.484 0.000) 1.861 28.965 ( 1.123 -1.484 0.000) 1.861 28.965 ( -1.123 1.484 0.000) 1.861 28.965 ( 1.123 1.484 0.000) 1.861 29.442 ( -1.032 -15.952 0.000) 15.986 29.442 ( 1.032 -15.952 0.000) 15.986 29.442 ( -1.032 15.952 0.000) 15.986 29.442 ( 1.032 15.952 0.000) 15.986 30.343 ( -10.895 -6.055 0.000) 12.464 30.343 ( 10.895 -6.055 0.000) 12.464 30.343 ( -10.895 6.055 0.000) 12.464 30.343 ( 10.895 6.055 0.000) 12.464 31.639 ( -1.136 -0.662 0.000) 1.315 31.639 ( 1.136 -0.662 0.000) 1.315 31.639 ( -1.136 0.662 0.000) 1.315 31.639 ( 1.136 0.662 0.000) 1.315 33.022 ( -11.958 -20.255 0.000) 23.521 33.022 ( 11.958 -20.255 0.000) 23.521 33.022 ( -11.958 20.255 0.000) 23.521 33.022 ( 11.958 20.255 0.000) 23.521 ======================= Grid point 35 (13/72) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 0.000 0.000 24.831) 24.831 0.518 ( 0.000 0.000 26.864) 26.864 0.944 ( 0.000 0.000 45.934) 45.934 1.797 ( 0.000 0.000 3.314) 3.314 1.869 ( 0.000 0.000 16.194) 16.194 1.927 ( 0.000 0.000 18.760) 18.760 2.130 ( 0.000 0.000 6.284) 6.284 2.143 ( 0.000 0.000 4.638) 4.638 2.222 ( 0.000 0.000 24.611) 24.611 2.482 ( 0.000 0.000 31.062) 31.062 2.794 ( 0.000 0.000 5.316) 5.316 2.933 ( 0.000 0.000 1.909) 1.909 3.036 ( 0.000 0.000 1.644) 1.644 3.209 ( 0.000 0.000 -3.432) 3.432 3.334 ( 0.000 0.000 4.031) 4.031 3.404 ( 0.000 0.000 0.026) 0.026 3.472 ( 0.000 0.000 -1.234) 1.234 3.579 ( 0.000 0.000 -6.403) 6.403 3.675 ( 0.000 0.000 1.065) 1.065 3.874 ( 0.000 0.000 4.159) 4.159 3.939 ( 0.000 0.000 14.421) 14.421 4.001 ( 0.000 0.000 -2.587) 2.587 4.142 ( 0.000 0.000 -3.442) 3.442 4.305 ( 0.000 0.000 -6.070) 6.070 4.881 ( 0.000 0.000 -9.631) 9.631 5.138 ( 0.000 0.000 1.515) 1.515 5.332 ( 0.000 0.000 -1.671) 1.671 5.383 ( 0.000 0.000 -0.040) 0.040 5.702 ( 0.000 0.000 0.650) 0.650 5.772 ( 0.000 0.000 -2.049) 2.049 5.942 ( 0.000 0.000 8.403) 8.403 6.471 ( 0.000 0.000 -6.024) 6.024 6.971 ( 0.000 0.000 3.973) 3.973 7.069 ( 0.000 0.000 12.639) 12.639 7.282 ( 0.000 0.000 7.918) 7.918 7.580 ( 0.000 0.000 -1.969) 1.969 8.374 ( 0.000 0.000 -2.037) 2.037 8.911 ( 0.000 0.000 -0.789) 0.789 8.941 ( 0.000 0.000 7.705) 7.705 9.037 ( 0.000 0.000 1.033) 1.033 9.150 ( 0.000 0.000 2.801) 2.801 9.344 ( 0.000 0.000 -4.412) 4.412 9.416 ( 0.000 0.000 -2.874) 2.874 9.574 ( 0.000 0.000 0.029) 0.029 9.747 ( 0.000 0.000 0.712) 0.712 10.284 ( 0.000 0.000 -2.367) 2.367 10.726 ( 0.000 0.000 -3.384) 3.384 10.990 ( 0.000 0.000 3.849) 3.849 11.057 ( 0.000 0.000 3.512) 3.512 11.218 ( 0.000 0.000 -0.578) 0.578 12.245 ( 0.000 0.000 -7.938) 7.938 12.269 ( 0.000 0.000 -5.194) 5.194 12.515 ( 0.000 0.000 -20.347) 20.347 12.561 ( 0.000 0.000 -20.287) 20.287 12.964 ( 0.000 0.000 -6.315) 6.315 13.101 ( 0.000 0.000 -8.043) 8.043 13.198 ( 0.000 0.000 1.133) 1.133 13.266 ( 0.000 0.000 0.064) 0.064 13.444 ( 0.000 0.000 -6.278) 6.278 14.037 ( 0.000 0.000 5.051) 5.051 14.042 ( 0.000 0.000 5.326) 5.326 14.310 ( 0.000 0.000 -4.629) 4.629 14.618 ( 0.000 0.000 -6.118) 6.118 15.001 ( 0.000 0.000 -9.768) 9.768 15.696 ( 0.000 0.000 24.487) 24.487 16.403 ( 0.000 0.000 15.722) 15.722 17.470 ( 0.000 0.000 11.262) 11.262 17.495 ( 0.000 0.000 11.048) 11.048 19.736 ( 0.000 0.000 -8.046) 8.046 19.943 ( 0.000 0.000 -9.271) 9.271 22.075 ( 0.000 0.000 -7.584) 7.584 22.084 ( 0.000 0.000 1.211) 1.211 22.087 ( 0.000 0.000 -7.806) 7.806 22.374 ( 0.000 0.000 -0.069) 0.069 23.198 ( 0.000 0.000 -0.301) 0.301 23.474 ( 0.000 0.000 7.171) 7.171 28.514 ( 0.000 0.000 6.089) 6.089 28.611 ( 0.000 0.000 6.058) 6.058 28.894 ( 0.000 0.000 2.000) 2.000 28.916 ( 0.000 0.000 1.839) 1.839 29.285 ( 0.000 0.000 17.764) 17.764 29.498 ( 0.000 0.000 1.102) 1.102 29.521 ( 0.000 0.000 1.487) 1.487 30.229 ( 0.000 0.000 1.206) 1.206 30.262 ( 0.000 0.000 1.987) 1.987 30.297 ( 0.000 0.000 4.005) 4.005 30.570 ( 0.000 0.000 0.442) 0.442 31.018 ( 0.000 0.000 -2.193) 2.193 31.617 ( 0.000 0.000 -0.122) 0.122 31.627 ( 0.000 0.000 -1.655) 1.655 31.680 ( 0.000 0.000 -1.387) 1.387 31.878 ( 0.000 0.000 -3.142) 3.142 31.927 ( 0.000 0.000 -0.449) 0.449 32.271 ( 0.000 0.000 -3.000) 3.000 32.354 ( 0.000 0.000 -5.000) 5.000 34.106 ( 0.000 0.000 -25.680) 25.680 ======================= Grid point 36 (14/72) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 20.083 0.000 15.259) 25.222 0.733 ( 21.956 0.000 16.173) 27.269 1.275 ( 20.304 0.000 28.634) 35.102 1.620 ( -4.521 0.000 12.190) 13.001 1.652 ( -23.824 0.000 5.338) 24.415 2.005 ( 7.738 0.000 8.028) 11.150 2.095 ( 5.892 0.000 35.151) 35.641 2.123 ( -2.182 0.000 5.097) 5.544 2.406 ( -6.009 0.000 32.302) 32.856 2.567 ( 19.475 0.000 6.995) 20.693 2.789 ( -5.942 0.000 4.338) 7.357 2.849 ( -14.714 0.000 6.137) 15.942 2.938 ( -9.303 0.000 -3.476) 9.931 3.093 ( -6.310 0.000 10.935) 12.625 3.172 ( -8.410 0.000 0.679) 8.437 3.297 ( 0.738 0.000 0.520) 0.903 3.334 ( -15.086 0.000 18.972) 24.239 3.435 ( -3.298 0.000 -0.416) 3.325 3.719 ( 0.548 0.000 6.492) 6.515 3.809 ( 0.052 0.000 2.556) 2.557 3.953 ( 7.295 0.000 2.367) 7.669 4.194 ( 8.592 0.000 -4.310) 9.612 4.244 ( -6.076 0.000 -4.318) 7.455 4.265 ( 4.810 0.000 -11.691) 12.642 5.000 ( 10.043 0.000 -11.069) 14.946 5.313 ( 3.928 0.000 -16.603) 17.062 5.357 ( 1.916 0.000 -1.257) 2.292 5.384 ( 0.072 0.000 0.131) 0.150 5.753 ( 5.097 0.000 0.338) 5.108 5.853 ( 8.854 0.000 -2.646) 9.241 5.907 ( -3.046 0.000 5.387) 6.188 6.344 ( -12.255 0.000 -4.914) 13.203 7.039 ( 4.703 0.000 5.020) 6.878 7.082 ( 1.043 0.000 11.712) 11.758 7.345 ( 5.793 0.000 5.711) 8.135 7.548 ( -3.395 0.000 -0.837) 3.496 8.402 ( 2.944 0.000 -0.790) 3.048 8.664 ( -14.070 0.000 7.753) 16.065 8.969 ( 2.870 0.000 8.070) 8.566 9.079 ( -0.549 0.000 4.957) 4.987 9.209 ( 5.956 0.000 1.601) 6.167 9.355 ( 0.992 0.000 -3.731) 3.860 9.404 ( -1.117 0.000 -3.253) 3.439 9.522 ( -5.298 0.000 0.667) 5.340 9.782 ( 4.162 0.000 0.689) 4.218 10.126 ( -12.765 0.000 0.549) 12.777 10.873 ( 12.322 0.000 -4.392) 13.082 11.001 ( 1.064 0.000 3.820) 3.965 11.048 ( -0.942 0.000 3.586) 3.708 11.218 ( -2.770 0.000 -5.686) 6.325 12.252 ( 0.573 0.000 -7.466) 7.488 12.270 ( -0.104 0.000 -6.058) 6.059 12.522 ( 0.742 0.000 -20.346) 20.359 12.555 ( -0.649 0.000 -20.302) 20.313 12.988 ( 2.306 0.000 -6.045) 6.470 13.082 ( -1.893 0.000 -6.817) 7.075 13.208 ( 1.013 0.000 0.955) 1.392 13.256 ( -1.016 0.000 0.201) 1.036 13.469 ( 2.921 0.000 -4.012) 4.962 13.842 ( -23.548 0.000 13.772) 27.280 14.038 ( 0.098 0.000 5.097) 5.098 14.042 ( -0.059 0.000 5.292) 5.292 14.859 ( 9.485 0.000 -15.340) 18.035 14.993 ( -0.905 0.000 -10.521) 10.560 15.716 ( 2.278 0.000 24.983) 25.087 16.017 ( -20.091 0.000 32.930) 38.575 17.474 ( 0.371 0.000 11.229) 11.235 17.491 ( -0.371 0.000 11.078) 11.084 19.889 ( 6.620 0.000 -16.674) 17.940 19.953 ( 0.843 0.000 -11.134) 11.166 22.077 ( 0.196 0.000 -7.617) 7.619 22.086 ( -0.180 0.000 -7.774) 7.776 22.125 ( 4.173 0.000 1.034) 4.299 22.321 ( -4.580 0.000 0.837) 4.656 23.347 ( 8.384 0.000 -3.520) 9.093 23.469 ( -0.701 0.000 5.908) 5.950 28.527 ( 1.371 0.000 6.085) 6.238 28.596 ( -1.568 0.000 6.062) 6.261 28.898 ( 0.396 0.000 1.973) 2.012 28.913 ( -0.270 0.000 1.858) 1.877 29.311 ( 3.079 0.000 19.805) 20.042 29.501 ( 0.306 0.000 1.144) 1.184 29.517 ( -0.391 0.000 1.413) 1.466 29.789 ( -33.203 0.000 35.867) 48.876 30.303 ( 4.244 0.000 1.869) 4.637 30.314 ( 2.065 0.000 3.900) 4.412 30.468 ( -9.998 0.000 9.380) 13.709 30.519 ( -5.073 0.000 0.807) 5.137 31.621 ( 0.839 0.000 -0.733) 1.114 31.630 ( 0.379 0.000 -1.624) 1.667 31.663 ( -1.376 0.000 -1.402) 1.964 31.675 ( -2.409 0.000 -0.739) 2.519 31.994 ( 6.280 0.000 -0.968) 6.354 32.231 ( -4.258 0.000 -2.706) 5.046 33.534 ( 42.978 0.000 -52.408) 67.777 34.080 ( -3.141 0.000 -27.853) 28.029 ======================= Grid point 37 (15/72) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -21.131 0.000 10.862) 23.759 1.124 ( 21.131 0.000 10.862) 23.759 1.186 ( -25.744 0.000 9.138) 27.317 1.186 ( 25.744 0.000 9.138) 27.317 1.968 ( -17.065 0.000 9.251) 19.412 1.968 ( 17.065 0.000 9.251) 19.412 2.249 ( -9.536 0.000 33.598) 34.925 2.249 ( 9.536 0.000 33.598) 34.925 2.264 ( -25.056 0.000 8.989) 26.620 2.264 ( 25.056 0.000 8.989) 26.620 2.844 ( -3.000 0.000 2.764) 4.080 2.844 ( 3.000 0.000 2.764) 4.080 2.915 ( -17.294 0.000 3.977) 17.746 2.915 ( 17.294 0.000 3.977) 17.746 3.144 ( -6.985 0.000 15.471) 16.975 3.144 ( 6.985 0.000 15.471) 16.975 3.361 ( -4.419 0.000 -0.603) 4.460 3.361 ( 4.419 0.000 -0.603) 4.460 3.765 ( -3.371 0.000 3.462) 4.832 3.765 ( 3.371 0.000 3.462) 4.832 4.105 ( -8.460 0.000 -0.839) 8.502 4.105 ( 8.460 0.000 -0.839) 8.502 4.292 ( -1.946 0.000 -8.009) 8.242 4.292 ( 1.946 0.000 -8.009) 8.242 5.215 ( -11.116 0.000 -14.588) 18.341 5.215 ( 11.116 0.000 -14.588) 18.341 5.381 ( -0.573 0.000 -0.264) 0.631 5.381 ( 0.573 0.000 -0.264) 0.631 5.842 ( -4.115 0.000 1.681) 4.445 5.842 ( 4.115 0.000 1.681) 4.445 6.081 ( -14.702 0.000 -3.667) 15.152 6.081 ( 14.702 0.000 -3.667) 15.152 7.090 ( -0.744 0.000 9.325) 9.355 7.090 ( 0.744 0.000 9.325) 9.355 7.459 ( -5.936 0.000 2.058) 6.283 7.459 ( 5.936 0.000 2.058) 6.283 8.484 ( -6.297 0.000 3.483) 7.196 8.484 ( 6.297 0.000 3.483) 7.196 9.034 ( -3.581 0.000 7.848) 8.627 9.034 ( 3.581 0.000 7.848) 8.627 9.330 ( -5.282 0.000 -2.427) 5.812 9.330 ( 5.282 0.000 -2.427) 5.812 9.418 ( -3.996 0.000 -0.056) 3.996 9.418 ( 3.996 0.000 -0.056) 3.996 9.909 ( -9.664 0.000 0.839) 9.701 9.909 ( 9.664 0.000 0.839) 9.701 11.025 ( -1.397 0.000 3.725) 3.979 11.025 ( 1.397 0.000 3.725) 3.979 11.092 ( -10.192 0.000 -5.549) 11.605 11.092 ( 10.192 0.000 -5.549) 11.605 12.263 ( -0.542 0.000 -6.668) 6.690 12.263 ( 0.542 0.000 -6.668) 6.690 12.539 ( -0.980 0.000 -20.331) 20.355 12.539 ( 0.980 0.000 -20.331) 20.355 13.037 ( -2.749 0.000 -5.835) 6.451 13.037 ( 2.749 0.000 -5.835) 6.451 13.232 ( -1.434 0.000 0.558) 1.539 13.232 ( 1.434 0.000 0.558) 1.539 13.568 ( -8.516 0.000 3.464) 9.194 13.568 ( 8.516 0.000 3.464) 9.194 14.040 ( -0.111 0.000 5.201) 5.202 14.040 ( 0.111 0.000 5.201) 5.202 14.961 ( -2.886 0.000 -12.759) 13.081 14.961 ( 2.886 0.000 -12.759) 13.081 15.793 ( -6.712 0.000 27.645) 28.448 15.793 ( 6.712 0.000 27.645) 28.448 17.483 ( -0.525 0.000 11.151) 11.164 17.483 ( 0.525 0.000 11.151) 11.164 19.951 ( -1.385 0.000 -13.632) 13.702 19.951 ( 1.385 0.000 -13.632) 13.702 22.081 ( -0.266 0.000 -7.695) 7.700 22.081 ( 0.266 0.000 -7.695) 7.700 22.222 ( -5.816 0.000 0.830) 5.875 22.222 ( 5.816 0.000 0.830) 5.875 23.441 ( -2.665 0.000 2.288) 3.513 23.441 ( 2.665 0.000 2.288) 3.513 28.560 ( -2.056 0.000 6.074) 6.412 28.560 ( 2.056 0.000 6.074) 6.412 28.907 ( -0.451 0.000 1.911) 1.963 28.907 ( 0.451 0.000 1.911) 1.963 29.422 ( -10.211 0.000 27.128) 28.986 29.422 ( 10.211 0.000 27.128) 28.986 29.509 ( -0.482 0.000 1.263) 1.352 29.509 ( 0.482 0.000 1.263) 1.352 30.368 ( -3.665 0.000 4.159) 5.543 30.368 ( 3.665 0.000 4.159) 5.543 30.406 ( -6.454 0.000 1.455) 6.616 30.406 ( 6.454 0.000 1.455) 6.616 31.641 ( -0.884 0.000 -1.526) 1.764 31.641 ( 0.884 0.000 -1.526) 1.764 31.644 ( -1.465 0.000 -1.264) 1.935 31.644 ( 1.465 0.000 -1.264) 1.935 32.123 ( -6.976 0.000 -1.923) 7.236 32.123 ( 6.976 0.000 -1.923) 7.236 33.963 ( -11.037 0.000 -36.173) 37.819 33.963 ( 11.037 0.000 -36.173) 37.819 ======================= Grid point 40 (16/72) ======================= q-point: ( 0.00 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.000 23.445 15.357) 28.027 0.982 ( 0.000 22.482 20.521) 30.439 1.425 ( 0.000 40.934 17.257) 44.423 1.757 ( 0.000 -3.832 8.686) 9.493 1.840 ( 0.000 -4.171 15.758) 16.300 1.912 ( 0.000 3.174 14.061) 14.415 2.095 ( 0.000 -9.107 12.988) 15.863 2.323 ( 0.000 10.584 15.225) 18.542 2.410 ( 0.000 15.746 2.211) 15.900 2.540 ( 0.000 5.314 28.236) 28.731 2.699 ( 0.000 -10.606 3.019) 11.028 2.869 ( 0.000 -6.973 0.134) 6.974 2.970 ( 0.000 1.179 9.665) 9.737 3.051 ( 0.000 -3.980 16.800) 17.265 3.262 ( 0.000 1.070 -0.516) 1.188 3.267 ( 0.000 -15.070 -0.100) 15.071 3.474 ( 0.000 -8.511 2.590) 8.896 3.499 ( 0.000 -10.382 3.641) 11.002 3.528 ( 0.000 1.603 -0.146) 1.610 3.898 ( 0.000 3.294 -0.407) 3.319 3.963 ( 0.000 -4.096 -2.892) 5.014 4.135 ( 0.000 10.744 0.066) 10.744 4.197 ( 0.000 3.511 -6.338) 7.245 4.395 ( 0.000 1.514 -4.306) 4.565 4.732 ( 0.000 -10.747 -11.028) 15.398 4.939 ( 0.000 -13.989 -0.231) 13.991 5.383 ( 0.000 1.624 1.402) 2.146 5.525 ( 0.000 6.162 -2.349) 6.594 5.727 ( 0.000 2.408 0.141) 2.412 5.798 ( 0.000 -6.854 12.007) 13.825 6.058 ( 0.000 14.437 -4.109) 15.010 6.497 ( 0.000 -1.544 -5.532) 5.743 6.942 ( 0.000 3.597 2.274) 4.256 6.987 ( 0.000 -2.833 14.745) 15.014 7.363 ( 0.000 5.248 5.510) 7.609 7.588 ( 0.000 2.561 -1.014) 2.754 8.246 ( 0.000 -3.106 -0.762) 3.198 8.603 ( 0.000 -15.153 4.598) 15.835 8.751 ( 0.000 -12.641 5.816) 13.915 8.876 ( 0.000 -11.574 1.405) 11.659 9.121 ( 0.000 -7.810 1.498) 7.953 9.214 ( 0.000 -13.284 0.843) 13.311 9.292 ( 0.000 -11.448 -2.006) 11.623 9.500 ( 0.000 -9.351 -1.569) 9.482 10.043 ( 0.000 22.111 -1.642) 22.171 10.415 ( 0.000 12.961 4.126) 13.602 10.864 ( 0.000 12.972 -3.922) 13.552 11.106 ( 0.000 10.528 0.577) 10.544 11.274 ( 0.000 19.794 0.939) 19.816 11.532 ( 0.000 20.463 -2.854) 20.661 12.131 ( 0.000 -8.314 -4.254) 9.339 12.161 ( 0.000 -8.248 -1.730) 8.427 12.488 ( 0.000 -8.128 -17.403) 19.208 12.670 ( 0.000 -3.091 -20.711) 20.940 13.025 ( 0.000 -1.704 -4.713) 5.011 13.128 ( 0.000 5.850 -19.457) 20.318 13.304 ( 0.000 8.351 -1.940) 8.573 13.356 ( 0.000 7.405 -2.120) 7.702 13.447 ( 0.000 2.292 -14.527) 14.706 13.901 ( 0.000 -10.277 -3.700) 10.923 14.169 ( 0.000 8.927 5.107) 10.285 14.386 ( 0.000 4.861 2.882) 5.651 14.579 ( 0.000 -3.373 -5.260) 6.248 14.911 ( 0.000 -7.717 -8.590) 11.547 15.767 ( 0.000 7.680 23.916) 25.119 16.212 ( 0.000 -3.709 33.800) 34.003 17.328 ( 0.000 -12.366 11.385) 16.809 17.375 ( 0.000 -10.487 11.782) 15.774 19.904 ( 0.000 14.711 -8.050) 16.769 20.131 ( 0.000 16.121 -9.361) 18.642 21.814 ( 0.000 -15.675 -7.092) 17.204 21.965 ( 0.000 -13.116 -7.134) 14.931 22.266 ( 0.000 8.206 -5.498) 9.877 22.477 ( 0.000 8.175 -1.837) 8.379 23.136 ( 0.000 -5.564 -0.520) 5.589 23.397 ( 0.000 -6.875 6.856) 9.709 28.691 ( 0.000 9.541 0.124) 9.542 28.732 ( 0.000 11.014 1.032) 11.063 28.906 ( 0.000 1.007 2.018) 2.255 28.929 ( 0.000 1.168 1.799) 2.145 29.238 ( 0.000 -2.112 13.500) 13.664 29.387 ( 0.000 -5.090 11.285) 12.380 29.674 ( 0.000 11.559 4.573) 12.431 30.110 ( 0.000 -10.282 2.343) 10.546 30.121 ( 0.000 -10.129 3.062) 10.582 30.327 ( 0.000 0.399 3.264) 3.288 30.599 ( 0.000 2.459 0.673) 2.549 30.827 ( 0.000 -6.999 4.603) 8.377 31.595 ( 0.000 -1.359 -0.829) 1.592 31.620 ( 0.000 -2.390 -2.933) 3.783 31.640 ( 0.000 -0.505 -2.036) 2.098 31.719 ( 0.000 -4.493 2.275) 5.036 32.030 ( 0.000 11.612 -2.622) 11.905 32.402 ( 0.000 11.598 -3.876) 12.229 32.792 ( 0.000 9.930 -18.992) 21.431 33.944 ( 0.000 -13.907 -22.711) 26.631 ======================= Grid point 41 (17/72) ======================= q-point: ( 0.25 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 14.034 19.180 11.398) 26.358 1.126 ( 12.828 20.576 13.857) 27.928 1.580 ( -4.742 19.172 8.492) 21.498 1.703 ( 12.328 13.997 17.056) 25.275 1.751 ( -11.023 3.281 3.879) 12.138 1.961 ( -1.280 -4.665 21.888) 22.416 1.988 ( 4.171 -1.309 11.573) 12.371 2.318 ( -0.458 10.190 17.057) 19.874 2.484 ( -4.821 4.962 25.087) 26.024 2.608 ( 13.071 3.677 5.371) 14.602 2.711 ( 1.513 -9.258 1.727) 9.538 2.833 ( -9.578 -1.429 5.815) 11.296 2.864 ( -9.634 -1.879 0.015) 9.815 3.035 ( -2.579 -1.085 15.158) 15.414 3.163 ( -11.289 0.625 10.210) 15.234 3.221 ( -3.774 -11.349 2.109) 12.145 3.328 ( 5.762 4.462 1.072) 7.366 3.519 ( 2.834 -12.104 4.294) 13.152 3.637 ( -0.493 -9.185 2.990) 9.672 3.777 ( -14.486 19.826 1.369) 24.592 3.997 ( 3.120 -7.540 -2.682) 8.589 4.063 ( -1.752 -10.473 -5.047) 11.757 4.188 ( 2.285 10.157 2.952) 10.821 4.322 ( -4.363 3.977 -4.045) 7.156 4.850 ( 10.640 -11.401 -12.448) 19.954 5.095 ( 5.218 -17.569 -10.422) 21.083 5.418 ( 3.141 1.093 1.250) 3.553 5.508 ( -1.544 4.046 -1.729) 4.663 5.771 ( 2.489 2.047 1.073) 3.396 5.803 ( 1.311 -5.757 8.243) 10.140 6.121 ( 6.486 13.808 -5.032) 16.064 6.429 ( -6.808 2.480 -5.479) 9.084 6.963 ( 2.115 0.644 4.749) 5.238 6.998 ( 0.834 -2.751 13.151) 13.462 7.414 ( 4.473 4.948 3.964) 7.759 7.567 ( -2.470 3.144 0.272) 4.007 8.268 ( 2.701 -5.316 0.270) 5.969 8.491 ( -8.628 -10.642 3.577) 14.159 8.781 ( 2.840 -12.577 6.260) 14.333 8.881 ( -0.657 -12.739 3.784) 13.306 9.153 ( 3.037 -9.893 -0.379) 10.356 9.230 ( 0.849 -13.812 0.559) 13.850 9.281 ( -0.039 -9.879 -0.652) 9.901 9.450 ( -4.982 -9.177 -0.441) 10.452 10.062 ( 2.503 21.974 -0.207) 22.118 10.307 ( -9.214 16.097 3.968) 18.967 10.956 ( 7.473 11.027 -3.430) 13.755 11.107 ( -0.456 10.210 -0.415) 10.228 11.306 ( 3.515 19.885 -0.137) 20.194 11.499 ( -3.758 19.490 -3.446) 20.146 12.135 ( 0.423 -8.389 -4.031) 9.317 12.156 ( -0.526 -8.371 -2.321) 8.702 12.511 ( 2.336 -6.601 -17.015) 18.400 12.638 ( -3.189 -2.535 -19.571) 19.991 13.034 ( 0.999 -0.959 -5.359) 5.535 13.105 ( -2.255 4.839 -15.222) 16.131 13.312 ( 0.778 8.225 -2.136) 8.533 13.348 ( -0.773 7.544 -2.213) 7.900 13.464 ( 2.031 1.521 -12.042) 12.306 13.732 ( -13.818 -5.863 0.519) 15.019 14.173 ( 0.555 9.379 5.539) 10.907 14.245 ( -5.260 11.803 7.001) 14.697 14.751 ( 8.717 -8.610 -10.358) 16.044 14.900 ( -1.263 -7.990 -9.094) 12.171 15.785 ( 2.090 7.617 24.676) 25.909 16.032 ( -12.827 4.475 32.697) 35.407 17.337 ( 0.803 -12.025 11.537) 16.684 17.369 ( -0.618 -10.726 11.750) 15.921 20.011 ( 7.343 11.944 -12.175) 18.569 20.128 ( -0.425 15.287 -10.304) 18.440 21.828 ( 1.870 -16.023 -5.810) 17.146 21.937 ( -2.585 -13.939 -6.587) 15.632 22.284 ( 2.007 8.503 -4.133) 9.665 22.421 ( -4.518 8.582 -0.687) 9.723 23.238 ( 7.440 -8.310 -0.745) 11.179 23.386 ( -1.282 -7.259 5.728) 9.335 28.685 ( -0.321 9.856 1.025) 9.915 28.715 ( -1.544 10.589 2.249) 10.934 28.910 ( 0.425 1.047 1.981) 2.281 28.926 ( -0.285 1.156 1.814) 2.170 29.253 ( 1.690 -2.419 14.197) 14.501 29.361 ( -2.686 -5.018 13.228) 14.401 29.686 ( 1.524 11.687 5.156) 12.864 29.968 ( -14.479 2.674 7.926) 16.722 30.157 ( 3.995 -9.699 3.876) 11.183 30.354 ( 2.797 0.789 2.970) 4.155 30.448 ( -17.262 1.135 9.442) 19.709 30.549 ( -5.465 2.061 1.665) 6.074 31.607 ( 1.112 -1.062 -1.224) 1.965 31.632 ( 0.593 -1.056 -3.152) 3.376 31.640 ( -0.159 -0.377 -2.205) 2.243 31.685 ( -2.060 -0.707 -0.500) 2.235 32.111 ( 6.724 10.451 -1.929) 12.576 32.360 ( -4.456 11.417 -3.524) 12.753 33.314 ( 33.238 -14.688 -30.087) 47.178 33.902 ( -4.841 -14.978 -23.961) 28.668 ======================= Grid point 42 (18/72) ======================= q-point: (-0.50 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -14.457 12.096 13.060) 22.932 1.268 ( 14.457 12.096 13.060) 22.932 1.445 ( -13.562 14.821 1.864) 20.176 1.445 ( 13.562 14.821 1.864) 20.176 1.970 ( -2.639 -3.589 15.100) 15.744 1.970 ( 2.639 -3.589 15.100) 15.744 2.231 ( -18.354 10.633 14.610) 25.757 2.231 ( 18.354 10.633 14.610) 25.757 2.449 ( -8.894 8.606 15.832) 20.095 2.449 ( 8.894 8.606 15.832) 20.095 2.745 ( -1.682 -7.329 2.318) 7.869 2.745 ( 1.682 -7.329 2.318) 7.869 2.903 ( -9.233 -0.960 9.700) 13.426 2.903 ( 9.233 -0.960 9.700) 13.426 3.146 ( -3.644 -4.297 9.156) 10.751 3.146 ( 3.644 -4.297 9.156) 10.751 3.495 ( -11.064 6.975 4.432) 13.809 3.495 ( 11.064 6.975 4.432) 13.809 3.597 ( -3.218 -4.765 1.132) 5.860 3.597 ( 3.218 -4.765 1.132) 5.860 4.044 ( -1.669 -12.118 -3.640) 12.762 4.044 ( 1.669 -12.118 -3.640) 12.762 4.247 ( -3.774 8.161 -0.542) 9.008 4.247 ( 3.774 8.161 -0.542) 9.008 5.047 ( -8.599 -14.120 -12.864) 20.948 5.047 ( 8.599 -14.120 -12.864) 20.948 5.472 ( -2.437 1.597 0.209) 2.921 5.472 ( 2.437 1.597 0.209) 2.921 5.807 ( -1.552 -1.955 3.578) 4.363 5.807 ( 1.552 -1.955 3.578) 4.363 6.274 ( -9.202 9.897 -6.091) 14.823 6.274 ( 9.202 9.897 -6.091) 14.823 6.999 ( -1.067 -2.166 9.375) 9.681 6.999 ( 1.067 -2.166 9.375) 9.681 7.499 ( -4.460 4.069 2.459) 6.519 7.499 ( 4.460 4.069 2.459) 6.519 8.351 ( -6.187 -7.800 1.535) 10.073 8.351 ( 6.187 -7.800 1.535) 10.073 8.842 ( -3.215 -12.831 5.857) 14.466 8.842 ( 3.215 -12.831 5.857) 14.466 9.208 ( -2.496 -13.027 -1.826) 13.389 9.208 ( 2.496 -13.027 -1.826) 13.389 9.342 ( -5.775 -8.635 1.701) 10.527 9.342 ( 5.775 -8.635 1.701) 10.527 10.148 ( -6.995 19.973 2.175) 21.274 10.148 ( 6.995 19.973 2.175) 21.274 11.069 ( -4.061 9.913 -1.834) 10.868 11.069 ( 4.061 9.913 -1.834) 10.868 11.401 ( -6.178 19.421 -2.624) 20.548 11.401 ( 6.178 19.421 -2.624) 20.548 12.145 ( -0.618 -8.458 -3.329) 9.111 12.145 ( 0.618 -8.458 -3.329) 9.111 12.569 ( -3.773 -3.594 -17.372) 18.137 12.569 ( 3.773 -3.594 -17.372) 18.137 13.062 ( -2.010 1.566 -8.356) 8.736 13.062 ( 2.010 1.566 -8.356) 8.736 13.330 ( -1.073 7.894 -2.302) 8.293 13.330 ( 1.073 7.894 -2.302) 8.293 13.538 ( -6.643 -0.736 -4.881) 8.276 13.538 ( 6.643 -0.736 -4.881) 8.276 14.192 ( -1.582 10.652 6.058) 12.356 14.192 ( 1.582 10.652 6.058) 12.356 14.858 ( -3.567 -8.729 -10.298) 13.963 14.858 ( 3.567 -8.729 -10.298) 13.963 15.857 ( -6.160 7.366 27.520) 29.147 15.857 ( 6.160 7.366 27.520) 29.147 17.354 ( -0.949 -11.326 11.682) 16.298 17.354 ( 0.949 -11.326 11.682) 16.298 20.103 ( -2.750 13.372 -12.294) 18.372 20.103 ( 2.750 13.372 -12.294) 18.372 21.880 ( -3.331 -15.655 -5.692) 16.988 21.880 ( 3.331 -15.655 -5.692) 16.988 22.340 ( -3.922 8.672 -1.853) 9.696 22.340 ( 3.922 8.672 -1.853) 9.696 23.343 ( -3.767 -8.269 2.690) 9.477 23.343 ( 3.767 -8.269 2.690) 9.477 28.689 ( -0.894 10.078 2.610) 10.448 28.689 ( 0.894 10.078 2.610) 10.448 28.919 ( -0.481 1.107 1.890) 2.242 28.919 ( 0.481 1.107 1.890) 2.242 29.301 ( -3.318 -3.633 15.205) 15.981 29.301 ( 3.318 -3.633 15.205) 15.981 29.754 ( -6.869 12.026 7.741) 15.866 29.754 ( 6.869 12.026 7.741) 15.866 30.255 ( -6.575 -6.972 4.834) 10.733 30.255 ( 6.575 -6.972 4.834) 10.733 30.441 ( -5.670 1.305 2.356) 6.278 30.441 ( 5.670 1.305 2.356) 6.278 31.627 ( -0.852 -0.864 -2.240) 2.547 31.627 ( 0.852 -0.864 -2.240) 2.547 31.652 ( -1.405 -0.053 -1.739) 2.237 31.652 ( 1.405 -0.053 -1.739) 2.237 32.247 ( -7.307 10.936 -2.689) 13.425 32.247 ( 7.307 10.936 -2.689) 13.425 33.739 ( -14.110 -17.682 -27.766) 35.815 33.739 ( 14.110 -17.682 -27.766) 35.815 ======================= Grid point 45 (19/72) ======================= q-point: ( 0.00 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.000 19.959 7.465) 21.309 1.372 ( 0.000 13.349 19.924) 23.982 1.668 ( 0.000 -2.785 14.951) 15.208 1.820 ( 0.000 4.240 14.745) 15.342 1.886 ( 0.000 -6.101 11.378) 12.911 1.931 ( 0.000 0.294 11.158) 11.162 2.286 ( 0.000 18.687 -4.515) 19.225 2.352 ( 0.000 2.362 -1.808) 2.975 2.535 ( 0.000 5.578 13.173) 14.305 2.621 ( 0.000 -6.117 9.608) 11.390 2.656 ( 0.000 2.861 9.742) 10.153 2.745 ( 0.000 0.329 10.903) 10.908 2.908 ( 0.000 -15.161 8.943) 17.602 2.980 ( 0.000 -12.907 11.616) 17.364 3.020 ( 0.000 -4.006 4.708) 6.182 3.080 ( 0.000 -0.520 9.529) 9.543 3.323 ( 0.000 1.010 8.415) 8.475 3.696 ( 0.000 11.022 1.762) 11.162 3.706 ( 0.000 17.714 1.369) 17.767 3.799 ( 0.000 -11.138 -0.703) 11.161 3.962 ( 0.000 7.920 -0.454) 7.933 4.148 ( 0.000 -2.318 -2.563) 3.456 4.396 ( 0.000 5.738 -4.748) 7.448 4.436 ( 0.000 -16.332 -11.076) 19.734 4.562 ( 0.000 22.623 1.364) 22.664 4.601 ( 0.000 -16.668 -1.975) 16.784 5.341 ( 0.000 -8.538 0.664) 8.564 5.474 ( 0.000 -11.742 -1.291) 11.813 5.685 ( 0.000 -1.417 10.929) 11.020 5.854 ( 0.000 6.741 -1.063) 6.824 5.977 ( 0.000 -16.330 2.419) 16.508 6.280 ( 0.000 -14.247 -2.869) 14.533 7.120 ( 0.000 14.720 7.048) 16.320 7.383 ( 0.000 28.438 2.078) 28.514 7.468 ( 0.000 3.273 5.484) 6.386 7.742 ( 0.000 10.806 2.482) 11.087 8.233 ( 0.000 0.755 -3.201) 3.289 8.372 ( 0.000 -6.340 -0.938) 6.409 8.522 ( 0.000 -8.007 3.687) 8.815 8.612 ( 0.000 -13.697 0.706) 13.715 8.892 ( 0.000 -11.034 2.044) 11.222 8.898 ( 0.000 -11.678 2.590) 11.962 8.973 ( 0.000 -14.589 1.158) 14.635 9.196 ( 0.000 -16.530 -0.149) 16.530 10.567 ( 0.000 24.484 -2.508) 24.612 10.788 ( 0.000 19.618 5.753) 20.444 11.165 ( 0.000 9.303 -2.870) 9.735 11.372 ( 0.000 7.213 0.639) 7.241 11.627 ( 0.000 6.558 -11.739) 13.446 11.813 ( 0.000 4.671 -12.308) 13.165 12.081 ( 0.000 9.089 7.396) 11.718 12.190 ( 0.000 19.037 5.810) 19.904 12.216 ( 0.000 -15.859 -14.130) 21.241 12.449 ( 0.000 -14.706 -10.879) 18.293 12.850 ( 0.000 -13.922 1.618) 14.016 13.072 ( 0.000 -12.391 -7.924) 14.708 13.496 ( 0.000 8.443 -8.914) 12.278 13.538 ( 0.000 8.208 -6.966) 10.765 13.568 ( 0.000 6.812 -22.106) 23.132 13.730 ( 0.000 -4.237 -18.771) 19.243 14.314 ( 0.000 4.046 6.982) 8.069 14.460 ( 0.000 2.034 7.953) 8.209 14.486 ( 0.000 -4.759 -2.123) 5.211 14.705 ( 0.000 -10.172 -4.338) 11.058 16.060 ( 0.000 18.883 19.966) 27.481 16.337 ( 0.000 12.919 25.935) 28.975 16.978 ( 0.000 -19.224 12.294) 22.819 17.072 ( 0.000 -16.731 14.084) 21.870 20.326 ( 0.000 23.174 -8.498) 24.683 20.569 ( 0.000 22.926 -9.175) 24.694 21.393 ( 0.000 -22.690 -9.446) 24.578 21.574 ( 0.000 -21.430 -7.223) 22.614 22.476 ( 0.000 11.049 -4.039) 11.764 22.682 ( 0.000 10.738 1.198) 10.805 22.967 ( 0.000 -9.817 -1.260) 9.897 23.195 ( 0.000 -11.259 5.868) 12.697 28.879 ( 0.000 6.656 -0.707) 6.693 28.933 ( 0.000 1.284 1.824) 2.230 28.956 ( 0.000 6.987 -2.032) 7.277 28.964 ( 0.000 1.892 1.649) 2.510 29.257 ( 0.000 5.764 11.752) 13.090 29.369 ( 0.000 4.109 11.640) 12.344 29.830 ( 0.000 -14.718 4.512) 15.394 29.856 ( 0.000 -13.710 4.493) 14.427 29.943 ( 0.000 12.219 4.624) 13.065 30.300 ( 0.000 -3.268 3.382) 4.703 30.661 ( 0.000 2.898 0.746) 2.992 30.748 ( 0.000 -1.823 1.036) 2.097 31.565 ( 0.000 -1.933 -3.437) 3.944 31.566 ( 0.000 -1.296 -1.806) 2.223 31.634 ( 0.000 -0.549 -2.906) 2.958 31.655 ( 0.000 -2.095 -1.077) 2.356 32.317 ( 0.000 13.960 -3.550) 14.404 32.734 ( 0.000 17.897 -6.520) 19.048 32.803 ( 0.000 -5.706 -9.887) 11.416 33.571 ( 0.000 -19.190 -16.426) 25.261 ======================= Grid point 46 (20/72) ======================= q-point: ( 0.25 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 6.693 16.339 10.566) 20.576 1.494 ( 8.999 13.939 11.390) 20.125 1.680 ( -0.598 0.645 12.691) 12.721 1.752 ( -4.015 0.549 13.563) 14.156 1.870 ( -4.428 3.782 8.988) 10.710 1.933 ( 0.983 -2.969 11.090) 11.523 2.331 ( 1.343 10.995 -5.230) 12.249 2.401 ( 7.913 -3.348 3.582) 9.309 2.532 ( -0.238 7.494 9.411) 12.032 2.594 ( -2.099 1.738 8.618) 9.038 2.656 ( -0.993 -2.975 13.034) 13.406 2.735 ( -1.071 -0.351 8.944) 9.014 2.870 ( -1.976 -13.315 12.047) 18.064 2.968 ( -2.659 -14.410 7.697) 16.552 3.016 ( -0.360 -0.702 6.619) 6.666 3.043 ( -3.033 1.868 10.237) 10.839 3.338 ( 1.659 0.722 8.720) 8.906 3.548 ( -10.724 12.954 6.833) 18.153 3.738 ( 2.755 13.612 -0.227) 13.890 3.803 ( 0.198 -8.901 -1.317) 9.000 3.970 ( -0.825 3.038 -0.108) 3.150 4.061 ( -6.927 3.100 -1.815) 7.803 4.399 ( 2.812 8.558 -4.384) 10.018 4.493 ( -0.180 5.160 -3.935) 6.492 4.585 ( 6.520 -1.942 -4.116) 7.952 4.687 ( 4.146 -15.244 -5.582) 16.755 5.352 ( 1.309 -9.190 0.400) 9.291 5.448 ( -2.486 -10.184 -1.684) 10.618 5.724 ( 3.299 -1.070 9.801) 10.396 5.833 ( -1.665 3.469 1.158) 4.018 6.037 ( 5.440 -15.840 2.197) 16.891 6.237 ( -4.082 -15.107 -0.944) 15.678 7.166 ( 4.537 16.533 4.873) 17.824 7.347 ( -3.540 26.271 1.815) 26.570 7.534 ( 5.989 4.624 3.551) 8.358 7.720 ( -2.560 10.111 2.895) 10.825 8.213 ( -1.204 -0.116 -1.984) 2.324 8.318 ( -4.865 -5.153 -0.939) 7.149 8.543 ( 1.859 -9.158 3.479) 9.971 8.607 ( -0.805 -13.454 1.687) 13.583 8.887 ( 0.152 -10.958 2.468) 11.233 8.903 ( -0.156 -13.107 1.230) 13.166 8.996 ( 2.548 -13.520 2.724) 14.025 9.156 ( -4.049 -15.848 0.468) 16.364 10.583 ( 1.825 24.354 -1.346) 24.459 10.731 ( -5.051 21.208 4.226) 22.207 11.222 ( 5.036 7.256 -1.783) 9.011 11.361 ( -1.395 6.163 0.550) 6.343 11.652 ( 2.690 7.026 -12.963) 14.989 11.787 ( -2.739 5.676 -13.271) 14.692 12.090 ( 1.035 10.038 7.108) 12.344 12.160 ( -2.159 13.951 3.982) 14.668 12.269 ( 4.431 -11.751 -10.880) 16.616 12.426 ( -2.483 -14.226 -11.028) 18.171 12.874 ( 2.553 -13.671 1.328) 13.970 13.031 ( -4.106 -12.775 -4.987) 14.315 13.502 ( 0.596 8.387 -8.957) 12.285 13.531 ( -0.679 8.201 -7.571) 11.182 13.574 ( 0.770 6.526 -21.539) 22.520 13.675 ( -4.603 0.138 -18.834) 19.389 14.328 ( 1.514 4.368 7.027) 8.411 14.414 ( -2.686 4.008 6.709) 8.263 14.558 ( 4.795 -8.028 -2.209) 9.608 14.689 ( -1.787 -10.304 -4.312) 11.312 16.078 ( 2.154 18.948 20.574) 28.052 16.262 ( -6.638 15.777 24.770) 30.109 16.993 ( 1.444 -19.035 12.629) 22.889 17.058 ( -1.407 -17.254 13.831) 22.158 20.388 ( 5.519 21.632 -9.621) 24.310 20.549 ( -2.166 22.227 -9.673) 24.337 21.409 ( 1.950 -22.168 -8.456) 23.806 21.539 ( -3.383 -21.411 -7.156) 22.827 22.502 ( 2.702 11.462 -3.038) 12.162 22.643 ( -3.638 11.472 0.749) 12.059 23.025 ( 5.112 -11.130 -0.250) 12.250 23.177 ( -2.065 -11.577 4.861) 12.725 28.882 ( 0.439 6.913 -0.539) 6.948 28.929 ( -1.026 4.562 -0.113) 4.677 28.944 ( -0.255 3.730 0.609) 3.788 28.961 ( -0.396 2.002 1.300) 2.420 29.270 ( 1.347 5.567 12.027) 13.321 29.349 ( -2.018 4.416 12.117) 13.053 29.803 ( -1.574 -9.631 4.752) 10.854 29.827 ( -2.054 -11.570 3.886) 12.376 30.038 ( 8.329 6.590 5.461) 11.943 30.338 ( 4.122 -2.677 3.236) 5.885 30.527 ( -17.328 4.170 4.276) 18.328 30.590 ( -7.327 1.321 1.789) 7.657 31.582 ( 1.609 -1.062 -2.324) 3.020 31.597 ( 1.793 -1.576 -3.885) 4.560 31.630 ( -0.324 -0.745 -3.047) 3.154 31.650 ( -0.669 -1.880 -1.652) 2.590 32.397 ( 7.625 14.728 -3.898) 17.037 32.686 ( -5.104 17.689 -6.054) 19.380 33.011 ( 18.096 -13.391 -13.356) 26.176 33.513 ( -6.442 -19.493 -16.485) 26.329 ======================= Grid point 47 (21/72) ======================= q-point: (-0.50 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -8.631 12.245 14.023) 20.520 1.553 ( 8.631 12.245 14.023) 20.520 1.669 ( -6.848 6.955 2.235) 10.013 1.669 ( 6.848 6.955 2.235) 10.013 1.878 ( -4.976 -0.782 12.835) 13.788 1.878 ( 4.976 -0.782 12.835) 13.788 2.412 ( -5.917 -7.955 -0.989) 9.964 2.412 ( 5.917 -7.955 -0.989) 9.964 2.574 ( -1.092 9.869 10.364) 14.352 2.574 ( 1.092 9.869 10.364) 14.352 2.674 ( -6.308 -3.007 9.623) 11.892 2.674 ( 6.308 -3.007 9.623) 11.892 2.883 ( -3.409 -5.525 9.390) 11.416 2.883 ( 3.409 -5.525 9.390) 11.416 3.014 ( -0.322 -1.372 10.561) 10.655 3.014 ( 0.322 -1.372 10.561) 10.655 3.396 ( -5.248 4.458 9.668) 11.869 3.396 ( 5.248 4.458 9.668) 11.869 3.791 ( -2.004 2.855 -2.151) 4.098 3.791 ( 2.004 2.855 -2.151) 4.098 3.967 ( -2.197 4.660 0.170) 5.155 3.967 ( 2.197 4.660 0.170) 5.155 4.460 ( -2.916 11.958 -2.456) 12.551 4.460 ( 2.916 11.958 -2.456) 12.551 4.695 ( -3.466 -13.844 -7.118) 15.947 4.695 ( 3.466 -13.844 -7.118) 15.947 5.393 ( -3.020 -9.418 -0.885) 9.930 5.393 ( 3.020 -9.418 -0.885) 9.930 5.788 ( -3.303 0.676 5.890) 6.787 5.788 ( 3.303 0.676 5.890) 6.787 6.145 ( -5.695 -16.297 1.293) 17.312 6.145 ( 5.695 -16.297 1.293) 17.312 7.263 ( -5.316 21.125 2.128) 21.887 7.263 ( 5.316 21.125 2.128) 21.887 7.645 ( -5.359 8.022 2.583) 9.987 7.645 ( 5.359 8.022 2.583) 9.987 8.231 ( -3.519 -2.955 -0.822) 4.668 8.231 ( 3.519 -2.955 -0.822) 4.668 8.580 ( -1.956 -11.620 2.872) 12.128 8.580 ( 1.956 -11.620 2.872) 12.128 8.895 ( -0.574 -12.141 2.182) 12.349 8.895 ( 0.574 -12.141 2.182) 12.349 9.067 ( -4.866 -14.360 1.986) 15.292 9.067 ( 4.866 -14.360 1.986) 15.292 10.639 ( -4.257 23.413 1.363) 23.835 10.639 ( 4.257 23.413 1.363) 23.835 11.312 ( -4.016 5.181 -0.281) 6.561 11.312 ( 4.016 5.181 -0.281) 6.561 11.719 ( -4.169 7.214 -14.174) 16.441 11.719 ( 4.169 7.214 -14.174) 16.441 12.119 ( -2.056 12.393 6.206) 14.011 12.119 ( 2.056 12.393 6.206) 14.011 12.358 ( -4.662 -13.167 -11.114) 17.850 12.358 ( 4.662 -13.167 -11.114) 17.850 12.943 ( -4.727 -13.197 -0.486) 14.026 12.943 ( 4.727 -13.197 -0.486) 14.026 13.516 ( -0.861 8.266 -8.601) 11.960 13.516 ( 0.861 8.266 -8.601) 11.960 13.604 ( -2.714 4.959 -20.165) 20.943 13.604 ( 2.714 4.959 -20.165) 20.943 14.366 ( -2.439 4.799 7.064) 8.882 14.366 ( 2.439 4.799 7.064) 8.882 14.639 ( -3.662 -10.178 -3.938) 11.512 14.639 ( 3.662 -10.178 -3.938) 11.512 16.145 ( -5.186 18.486 22.374) 29.483 16.145 ( 5.186 18.486 22.374) 29.483 17.026 ( -1.961 -18.297 13.250) 22.676 17.026 ( 1.961 -18.297 13.250) 22.676 20.487 ( -4.587 21.070 -10.374) 23.929 20.487 ( 4.587 21.070 -10.374) 23.929 21.466 ( -3.977 -21.625 -7.314) 23.172 21.466 ( 3.977 -21.625 -7.314) 23.172 22.568 ( -4.150 11.962 -0.916) 12.695 22.568 ( 4.150 11.962 -0.916) 12.695 23.117 ( -4.334 -11.996 2.353) 12.970 23.117 ( 4.334 -11.996 2.353) 12.970 28.900 ( -1.497 7.109 -0.589) 7.289 28.900 ( 1.497 7.109 -0.589) 7.289 28.951 ( -0.579 1.693 1.511) 2.342 28.951 ( 0.579 1.693 1.511) 2.342 29.305 ( -2.370 5.065 12.447) 13.645 29.305 ( 2.370 5.065 12.447) 13.645 29.796 ( -0.861 -9.330 4.347) 10.329 29.796 ( 0.861 -9.330 4.347) 10.329 30.234 ( -13.171 6.258 5.946) 15.748 30.234 ( 13.171 6.258 5.946) 15.748 30.447 ( -7.369 -1.074 2.745) 7.937 30.447 ( 7.369 -1.074 2.745) 7.937 31.608 ( -0.853 -0.718 -3.086) 3.281 31.608 ( 0.853 -0.718 -3.086) 3.281 31.633 ( -0.933 -1.490 -2.780) 3.289 31.633 ( 0.933 -1.490 -2.780) 3.289 32.555 ( -8.556 16.483 -5.041) 19.243 32.555 ( 8.556 16.483 -5.041) 19.243 33.325 ( -14.045 -19.059 -16.090) 28.625 33.325 ( 14.045 -19.059 -16.090) 28.625 ======================= Grid point 50 (22/72) ======================= q-point: ( 0.00 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 -2.831 18.806) 19.018 1.556 ( 0.000 2.831 18.806) 19.018 1.671 ( 0.000 -8.765 4.966) 10.074 1.671 ( 0.000 8.765 4.966) 10.074 2.058 ( 0.000 -15.462 9.618) 18.209 2.058 ( 0.000 15.462 9.618) 18.209 2.255 ( 0.000 -21.917 11.485) 24.744 2.255 ( 0.000 21.917 11.485) 24.744 2.594 ( 0.000 -7.034 7.292) 10.131 2.594 ( 0.000 7.034 7.292) 10.131 2.661 ( 0.000 -1.693 -1.240) 2.098 2.661 ( 0.000 1.693 -1.240) 2.098 2.859 ( 0.000 -3.434 7.982) 8.689 2.859 ( 0.000 3.434 7.982) 8.689 3.048 ( 0.000 -2.468 11.439) 11.702 3.048 ( 0.000 2.468 11.439) 11.702 3.502 ( 0.000 -13.551 9.352) 16.465 3.502 ( 0.000 13.551 9.352) 16.465 3.891 ( 0.000 -2.016 -1.479) 2.501 3.891 ( 0.000 2.016 -1.479) 2.501 4.121 ( 0.000 -7.826 -5.697) 9.680 4.121 ( 0.000 7.826 -5.697) 9.680 4.240 ( 0.000 -15.083 -3.348) 15.450 4.240 ( 0.000 15.083 -3.348) 15.450 4.877 ( 0.000 -30.280 -2.068) 30.350 4.877 ( 0.000 30.280 -2.068) 30.350 5.079 ( 0.000 -23.524 1.285) 23.560 5.079 ( 0.000 23.524 1.285) 23.560 5.720 ( 0.000 -5.292 9.576) 10.941 5.720 ( 0.000 5.292 9.576) 10.941 6.024 ( 0.000 -9.269 -2.097) 9.503 6.024 ( 0.000 9.269 -2.097) 9.503 7.414 ( 0.000 -9.327 6.211) 11.205 7.414 ( 0.000 9.327 6.211) 11.205 7.864 ( 0.000 -9.192 1.830) 9.373 7.864 ( 0.000 9.192 1.830) 9.373 8.300 ( 0.000 -9.736 -1.916) 9.923 8.300 ( 0.000 9.736 -1.916) 9.923 8.367 ( 0.000 -6.596 -0.217) 6.600 8.367 ( 0.000 6.596 -0.217) 6.600 8.750 ( 0.000 -0.391 0.598) 0.714 8.750 ( 0.000 0.391 0.598) 0.714 8.897 ( 0.000 -8.082 3.322) 8.739 8.897 ( 0.000 8.082 3.322) 8.739 11.041 ( 0.000 -17.573 -2.724) 17.782 11.041 ( 0.000 17.573 -2.724) 17.782 11.205 ( 0.000 -17.462 3.492) 17.808 11.205 ( 0.000 17.462 3.492) 17.808 11.850 ( 0.000 -16.488 -13.897) 21.563 11.850 ( 0.000 16.488 -13.897) 21.563 12.089 ( 0.000 -17.334 -8.947) 19.507 12.089 ( 0.000 17.334 -8.947) 19.507 12.466 ( 0.000 -20.354 5.705) 21.138 12.466 ( 0.000 20.354 5.705) 21.138 12.674 ( 0.000 -22.208 0.375) 22.211 12.674 ( 0.000 22.208 0.375) 22.211 13.640 ( 0.000 -3.138 -19.474) 19.725 13.640 ( 0.000 3.138 -19.474) 19.725 13.655 ( 0.000 -2.723 -14.288) 14.545 13.655 ( 0.000 2.723 -14.288) 14.545 14.390 ( 0.000 -3.877 3.658) 5.330 14.390 ( 0.000 3.877 3.658) 5.330 14.524 ( 0.000 -5.462 3.935) 6.732 14.524 ( 0.000 5.462 3.935) 6.732 16.522 ( 0.000 -22.281 15.094) 26.912 16.522 ( 0.000 22.281 15.094) 26.912 16.686 ( 0.000 -18.042 18.285) 25.688 16.686 ( 0.000 18.042 18.285) 25.688 20.863 ( 0.000 -25.509 -9.302) 27.153 20.863 ( 0.000 25.509 -9.302) 27.153 21.080 ( 0.000 -23.681 -8.317) 25.099 21.080 ( 0.000 23.681 -8.317) 25.099 22.728 ( 0.000 -11.811 -2.517) 12.076 22.728 ( 0.000 11.811 -2.517) 12.076 22.935 ( 0.000 -12.279 4.049) 12.929 22.935 ( 0.000 12.279 4.049) 12.929 28.948 ( 0.000 -0.386 0.718) 0.815 28.948 ( 0.000 0.386 0.718) 0.815 29.000 ( 0.000 -1.030 0.805) 1.308 29.000 ( 0.000 1.030 0.805) 1.308 29.503 ( 0.000 -14.736 7.334) 16.461 29.503 ( 0.000 14.736 7.334) 16.461 29.562 ( 0.000 -12.509 7.414) 14.541 29.562 ( 0.000 12.509 7.414) 14.541 30.173 ( 0.000 -8.510 3.818) 9.327 30.173 ( 0.000 8.510 3.818) 9.327 30.713 ( 0.000 -1.819 0.454) 1.875 30.713 ( 0.000 1.819 0.454) 1.875 31.547 ( 0.000 -0.220 -2.785) 2.793 31.547 ( 0.000 0.220 -2.785) 2.793 31.628 ( 0.000 -0.374 -2.682) 2.708 31.628 ( 0.000 0.374 -2.682) 2.708 32.602 ( 0.000 -11.826 -5.716) 13.135 32.602 ( 0.000 11.826 -5.716) 13.135 33.148 ( 0.000 -19.617 -10.602) 22.299 33.148 ( 0.000 19.617 -10.602) 22.299 ======================= Grid point 52 (23/72) ======================= q-point: ( 0.25 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 5.006 -4.559 15.142) 16.587 1.602 ( 5.006 4.559 15.142) 16.587 1.714 ( 2.887 -6.023 6.904) 9.606 1.714 ( 2.887 6.023 6.904) 9.606 2.048 ( 0.185 -10.206 6.816) 12.275 2.048 ( 0.185 10.206 6.816) 12.275 2.265 ( -2.696 -15.623 7.505) 17.540 2.265 ( -2.696 15.623 7.505) 17.540 2.495 ( -2.867 -4.748 4.608) 7.211 2.495 ( -2.867 4.748 4.608) 7.211 2.666 ( -2.705 -2.775 8.623) 9.454 2.666 ( -2.705 2.775 8.623) 9.454 2.891 ( 3.058 -4.900 7.882) 9.772 2.891 ( 3.058 4.900 7.882) 9.772 3.027 ( -2.618 -4.817 11.405) 12.655 3.027 ( -2.618 4.817 11.405) 12.655 3.539 ( 4.167 -13.928 6.623) 15.975 3.539 ( 4.167 13.928 6.623) 15.975 3.797 ( -7.881 -9.070 0.182) 12.017 3.797 ( -7.881 9.070 0.182) 12.017 4.169 ( 3.582 -15.569 -5.006) 16.741 4.169 ( 3.582 15.569 -5.006) 16.741 4.246 ( 0.084 -15.149 -3.254) 15.495 4.246 ( 0.084 15.149 -3.254) 15.495 4.922 ( 4.353 -27.411 -2.453) 27.862 4.922 ( 4.353 27.411 -2.453) 27.862 5.065 ( -1.719 -23.564 0.257) 23.628 5.065 ( -1.719 23.564 0.257) 23.628 5.765 ( 4.535 -5.654 8.762) 11.371 5.765 ( 4.535 5.654 8.762) 11.371 5.975 ( -4.840 -8.461 0.790) 9.779 5.975 ( -4.840 8.461 0.790) 9.779 7.488 ( 7.349 -10.055 3.849) 13.035 7.488 ( 7.349 10.055 3.849) 13.035 7.802 ( -6.385 -10.310 0.911) 12.161 7.802 ( -6.385 10.310 0.911) 12.161 8.297 ( -0.041 -10.759 -0.906) 10.797 8.297 ( -0.041 10.759 -0.906) 10.797 8.347 ( -1.925 -8.623 0.138) 8.837 8.347 ( -1.925 8.623 0.138) 8.837 8.771 ( 2.169 -2.248 1.754) 3.583 8.771 ( 2.169 2.248 1.754) 3.583 8.876 ( -2.210 -6.780 3.318) 7.865 8.876 ( -2.210 6.780 3.318) 7.865 11.059 ( 1.957 -17.945 -2.002) 18.162 11.059 ( 1.957 17.945 -2.002) 18.162 11.173 ( -3.072 -17.919 2.192) 18.312 11.173 ( -3.072 17.919 2.192) 18.312 11.898 ( 4.603 -16.496 -13.126) 21.578 11.898 ( 4.603 16.496 -13.126) 21.578 12.064 ( -2.705 -16.911 -9.720) 19.692 12.064 ( -2.705 16.911 -9.720) 19.692 12.492 ( 2.722 -20.053 5.358) 20.934 12.492 ( 2.722 20.053 5.358) 20.934 12.639 ( -3.493 -21.453 1.576) 21.793 12.639 ( -3.493 21.453 1.576) 21.793 13.640 ( 0.003 -2.608 -18.651) 18.833 13.640 ( 0.003 2.608 -18.651) 18.833 13.651 ( -0.389 -2.407 -15.581) 15.770 13.651 ( -0.389 2.407 -15.581) 15.770 14.412 ( 2.187 -4.478 3.685) 6.198 14.412 ( 2.187 4.478 3.685) 6.198 14.507 ( -1.861 -5.528 3.878) 7.004 14.507 ( -1.861 5.528 3.878) 7.004 16.540 ( 1.906 -22.084 15.475) 27.033 16.540 ( 1.906 22.084 15.475) 27.033 16.655 ( -3.093 -19.244 17.720) 26.342 16.655 ( -3.093 19.244 17.720) 26.342 20.897 ( 3.423 -24.420 -9.231) 26.330 20.897 ( 3.423 24.420 -9.231) 26.330 21.049 ( -3.132 -23.325 -8.539) 25.035 21.049 ( -3.132 23.325 -8.539) 25.035 22.764 ( 3.575 -12.243 -1.449) 12.836 22.764 ( 3.575 12.243 -1.449) 12.836 22.910 ( -2.669 -12.488 3.169) 13.157 22.910 ( -2.669 12.488 3.169) 13.157 28.953 ( 0.598 -0.415 0.755) 1.049 28.953 ( 0.598 0.415 0.755) 1.049 28.991 ( -0.967 -0.750 0.807) 1.466 28.991 ( -0.967 0.750 0.807) 1.466 29.506 ( 0.477 -14.259 7.434) 16.088 29.506 ( 0.477 14.259 7.434) 16.088 29.549 ( -1.296 -12.653 7.480) 14.755 29.549 ( -1.296 12.653 7.480) 14.755 30.226 ( 5.745 -7.660 3.902) 10.339 30.226 ( 5.745 7.660 3.902) 10.339 30.590 ( -11.128 -1.501 2.032) 11.412 30.590 ( -11.128 1.501 2.032) 11.412 31.573 ( 2.099 -0.429 -3.248) 3.891 31.573 ( 2.099 0.429 -3.248) 3.891 31.623 ( -0.568 -0.405 -2.912) 2.994 31.623 ( -0.568 0.405 -2.912) 2.994 32.715 ( 10.667 -14.258 -7.009) 19.137 32.715 ( 10.667 14.258 -7.009) 19.137 33.091 ( -6.093 -19.289 -10.257) 22.680 33.091 ( -6.093 19.289 -10.257) 22.680 ======================= Grid point 54 (24/72) ======================= q-point: (-0.50 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -4.060 -3.164 11.293) 12.411 1.705 ( 1.040 -2.482 11.293) 11.609 1.705 ( -1.040 2.482 11.293) 11.609 1.705 ( 4.060 3.164 11.293) 12.411 2.123 ( -5.733 -18.978 0.964) 19.849 2.123 ( 3.314 -18.834 0.964) 19.147 2.123 ( -3.314 18.834 0.964) 19.147 2.123 ( 5.733 18.978 0.964) 19.849 2.566 ( -6.919 -1.698 11.436) 13.474 2.566 ( -6.789 1.561 11.436) 13.391 2.566 ( 6.789 -1.561 11.436) 13.391 2.566 ( 6.919 1.698 11.436) 13.474 2.959 ( -3.495 -7.647 9.764) 12.885 2.959 ( 2.562 -7.554 9.764) 12.608 2.959 ( -2.562 7.554 9.764) 12.608 2.959 ( 3.495 7.647 9.764) 12.885 3.650 ( -7.171 -13.440 3.310) 15.588 3.650 ( 6.650 -13.373 3.310) 15.297 3.650 ( -6.650 13.373 3.310) 15.297 3.650 ( 7.171 13.440 3.310) 15.588 4.226 ( -2.050 -18.043 -3.964) 18.587 4.226 ( 1.991 -18.042 -3.964) 18.579 4.226 ( -1.991 18.042 -3.964) 18.579 4.226 ( 2.050 18.043 -3.964) 18.587 5.009 ( -4.249 -24.288 -1.719) 24.717 5.009 ( 4.241 -24.288 -1.719) 24.715 5.009 ( -4.241 24.288 -1.719) 24.715 5.009 ( 4.249 24.288 -1.719) 24.717 5.869 ( -5.835 -7.537 5.758) 11.136 5.869 ( 4.670 -7.332 5.758) 10.426 5.869 ( -4.670 7.332 5.758) 10.426 5.869 ( 5.835 7.537 5.758) 11.136 7.650 ( -9.307 -11.005 0.823) 14.436 7.650 ( 9.199 -10.982 0.823) 14.349 7.650 ( -9.199 10.982 0.823) 14.349 7.650 ( 9.307 11.005 0.823) 14.436 8.310 ( -1.565 -11.239 0.337) 11.353 8.310 ( 1.557 -11.239 0.337) 11.351 8.310 ( -1.557 11.239 0.337) 11.351 8.310 ( 1.565 11.239 0.337) 11.353 8.823 ( -2.651 -5.679 3.061) 6.975 8.823 ( 1.836 -5.598 3.061) 6.639 8.823 ( -1.836 5.598 3.061) 6.639 8.823 ( 2.651 5.679 3.061) 6.975 11.110 ( -3.290 -18.810 -0.149) 19.096 11.110 ( 3.257 -18.809 -0.149) 19.090 11.110 ( -3.257 18.809 -0.149) 19.090 11.110 ( 3.290 18.810 -0.149) 19.096 11.992 ( -4.914 -16.526 -11.484) 20.716 11.992 ( 4.911 -16.526 -11.484) 20.715 11.992 ( -4.911 16.526 -11.484) 20.715 11.992 ( 4.914 16.526 -11.484) 20.716 12.561 ( -4.370 -20.521 3.899) 21.340 12.561 ( 4.344 -20.520 3.899) 21.334 12.561 ( -4.344 20.520 3.899) 21.334 12.561 ( 4.370 20.521 3.899) 21.340 13.643 ( -0.333 -2.378 -17.345) 17.510 13.643 ( 0.318 -2.377 -17.345) 17.510 13.643 ( -0.318 2.377 -17.345) 17.510 13.643 ( 0.333 2.378 -17.345) 17.510 14.461 ( -2.696 -5.736 3.766) 7.373 14.461 ( 2.472 -5.711 3.766) 7.274 14.461 ( -2.472 5.711 3.766) 7.274 14.461 ( 2.696 5.736 3.766) 7.373 16.590 ( -3.398 -21.273 16.505) 27.138 16.590 ( 3.391 -21.272 16.505) 27.137 16.590 ( -3.391 21.272 16.505) 27.137 16.590 ( 3.398 21.273 16.505) 27.138 20.975 ( -4.544 -23.254 -8.958) 25.330 20.975 ( 4.538 -23.253 -8.958) 25.329 20.975 ( -4.538 23.253 -8.958) 25.329 20.975 ( 4.544 23.254 -8.958) 25.330 22.842 ( -4.258 -13.053 0.952) 13.763 22.842 ( 4.169 -13.046 0.952) 13.729 22.842 ( -4.169 13.046 0.952) 13.729 22.842 ( 4.258 13.053 0.952) 13.763 28.970 ( -0.959 -0.623 0.803) 1.397 28.970 ( -0.358 -0.436 0.803) 0.981 28.970 ( 0.358 0.436 0.803) 0.981 28.970 ( 0.959 0.623 0.803) 1.397 29.523 ( -1.271 -13.310 7.546) 15.353 29.523 ( 1.271 -13.310 7.546) 15.353 29.523 ( -1.271 13.310 7.546) 15.353 29.523 ( 1.271 13.310 7.546) 15.353 30.379 ( -10.484 -5.379 3.621) 12.327 30.379 ( 6.269 -3.360 3.621) 7.981 30.379 ( -6.269 3.360 3.621) 7.981 30.379 ( 10.484 5.379 3.621) 12.327 31.606 ( -1.197 -0.602 -3.302) 3.563 31.606 ( -0.551 -0.284 -3.302) 3.360 31.606 ( 0.551 0.284 -3.302) 3.360 31.606 ( 1.197 0.602 -3.302) 3.563 32.929 ( -11.049 -17.732 -9.064) 22.774 32.929 ( 11.047 -17.731 -9.064) 22.773 32.929 ( -11.047 17.731 -9.064) 22.773 32.929 ( 11.049 17.732 -9.064) 22.774 ======================= Grid point 70 (25/72) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 0.000 24.368) 24.368 1.058 ( 0.000 0.000 28.200) 28.200 1.726 ( 0.000 0.000 31.353) 31.353 1.823 ( 0.000 0.000 -1.261) 1.261 2.074 ( 0.000 0.000 3.950) 3.950 2.167 ( 0.000 0.000 13.953) 13.953 2.298 ( 0.000 0.000 10.718) 10.718 2.299 ( 0.000 0.000 10.175) 10.175 2.847 ( 0.000 0.000 0.667) 0.667 2.942 ( 0.000 0.000 -2.114) 2.114 3.004 ( 0.000 0.000 41.192) 41.192 3.032 ( 0.000 0.000 -3.902) 3.902 3.044 ( 0.000 0.000 16.756) 16.756 3.158 ( 0.000 0.000 -0.751) 0.751 3.436 ( 0.000 0.000 6.322) 6.322 3.439 ( 0.000 0.000 1.775) 1.775 3.477 ( 0.000 0.000 -1.899) 1.899 3.555 ( 0.000 0.000 15.974) 15.974 3.709 ( 0.000 0.000 0.585) 0.585 3.931 ( 0.000 0.000 -4.404) 4.404 3.962 ( 0.000 0.000 3.255) 3.255 4.176 ( 0.000 0.000 -5.082) 5.082 4.194 ( 0.000 0.000 12.616) 12.616 4.283 ( 0.000 0.000 18.256) 18.256 4.709 ( 0.000 0.000 -7.409) 7.409 5.154 ( 0.000 0.000 0.309) 0.309 5.248 ( 0.000 0.000 -5.041) 5.041 5.415 ( 0.000 0.000 -0.419) 0.419 5.771 ( 0.000 0.000 5.287) 5.287 5.822 ( 0.000 0.000 13.630) 13.630 6.173 ( 0.000 0.000 15.478) 15.478 6.335 ( 0.000 0.000 -5.886) 5.886 7.040 ( 0.000 0.000 4.078) 4.078 7.358 ( 0.000 0.000 14.209) 14.209 7.456 ( 0.000 0.000 6.456) 6.456 7.554 ( 0.000 0.000 2.132) 2.132 8.310 ( 0.000 0.000 -4.495) 4.495 8.882 ( 0.000 0.000 -2.361) 2.361 9.049 ( 0.000 0.000 1.055) 1.055 9.155 ( 0.000 0.000 11.961) 11.961 9.221 ( 0.000 0.000 -7.989) 7.989 9.228 ( 0.000 0.000 5.099) 5.099 9.300 ( 0.000 0.000 -8.857) 8.857 9.578 ( 0.000 0.000 0.308) 0.308 9.766 ( 0.000 0.000 1.204) 1.204 10.239 ( 0.000 0.000 -1.724) 1.724 10.633 ( 0.000 0.000 -6.033) 6.033 11.093 ( 0.000 0.000 5.858) 5.858 11.161 ( 0.000 0.000 6.500) 6.500 11.170 ( 0.000 0.000 -5.213) 5.213 12.010 ( 0.000 0.000 -29.521) 29.521 12.021 ( 0.000 0.000 -14.433) 14.433 12.061 ( 0.000 0.000 -29.185) 29.185 12.141 ( 0.000 0.000 -6.977) 6.977 12.660 ( 0.000 0.000 -21.276) 21.276 12.879 ( 0.000 0.000 -13.757) 13.757 13.221 ( 0.000 0.000 1.198) 1.198 13.263 ( 0.000 0.000 -0.246) 0.246 13.495 ( 0.000 0.000 8.729) 8.729 14.115 ( 0.000 0.000 2.058) 2.058 14.126 ( 0.000 0.000 2.287) 2.287 14.205 ( 0.000 0.000 -5.134) 5.134 14.466 ( 0.000 0.000 -8.680) 8.680 14.762 ( 0.000 0.000 -13.390) 13.390 16.273 ( 0.000 0.000 32.172) 32.172 16.799 ( 0.000 0.000 23.445) 23.445 17.797 ( 0.000 0.000 21.826) 21.826 17.823 ( 0.000 0.000 22.306) 22.306 19.527 ( 0.000 0.000 -12.911) 12.911 19.692 ( 0.000 0.000 -15.642) 15.642 21.852 ( 0.000 0.000 -15.115) 15.115 21.860 ( 0.000 0.000 -15.293) 15.293 22.124 ( 0.000 0.000 3.016) 3.016 22.380 ( 0.000 0.000 1.000) 1.000 23.208 ( 0.000 0.000 0.400) 0.400 23.573 ( 0.000 0.000 1.670) 1.670 28.669 ( 0.000 0.000 9.072) 9.072 28.761 ( 0.000 0.000 8.418) 8.418 28.944 ( 0.000 0.000 2.795) 2.795 28.961 ( 0.000 0.000 2.521) 2.521 29.539 ( 0.000 0.000 3.406) 3.406 29.576 ( 0.000 0.000 4.444) 4.444 29.713 ( 0.000 0.000 23.837) 23.837 30.277 ( 0.000 0.000 3.903) 3.903 30.311 ( 0.000 0.000 2.730) 2.730 30.414 ( 0.000 0.000 7.960) 7.960 30.575 ( 0.000 0.000 -0.168) 0.168 30.971 ( 0.000 0.000 -2.157) 2.157 31.588 ( 0.000 0.000 -1.958) 1.958 31.602 ( 0.000 0.000 -1.719) 1.719 31.649 ( 0.000 0.000 -1.504) 1.504 31.791 ( 0.000 0.000 -5.527) 5.527 31.913 ( 0.000 0.000 -0.981) 0.981 32.188 ( 0.000 0.000 -5.306) 5.306 32.214 ( 0.000 0.000 -9.101) 9.101 33.456 ( 0.000 0.000 -38.127) 38.127 ======================= Grid point 71 (26/72) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 5.216 0.000 20.179) 20.842 1.111 ( 14.053 0.000 21.138) 25.383 1.636 ( -15.756 0.000 3.405) 16.119 1.809 ( -19.601 0.000 9.908) 21.962 1.985 ( 19.645 0.000 25.171) 31.929 2.202 ( 3.852 0.000 11.208) 11.851 2.277 ( -1.796 0.000 10.362) 10.517 2.503 ( 13.511 0.000 6.607) 15.040 2.820 ( -10.056 0.000 -1.935) 10.241 2.863 ( -3.364 0.000 -0.964) 3.499 2.941 ( -8.833 0.000 13.396) 16.046 2.960 ( -5.589 0.000 4.005) 6.876 3.063 ( 5.215 0.000 34.981) 35.367 3.212 ( 4.343 0.000 5.502) 7.009 3.287 ( -1.420 0.000 5.519) 5.698 3.395 ( -4.060 0.000 9.529) 10.358 3.499 ( -5.215 0.000 13.012) 14.018 3.510 ( -3.862 0.000 2.050) 4.373 3.894 ( 9.879 0.000 1.590) 10.006 3.976 ( 5.638 0.000 -0.535) 5.664 4.011 ( 4.659 0.000 3.041) 5.564 4.085 ( -8.623 0.000 10.943) 13.932 4.163 ( -1.807 0.000 -2.338) 2.955 4.200 ( -4.369 0.000 10.015) 10.926 4.813 ( 8.603 0.000 -6.988) 11.083 5.142 ( -3.555 0.000 -3.666) 5.106 5.287 ( 3.685 0.000 -4.755) 6.016 5.401 ( -1.531 0.000 -1.191) 1.939 5.839 ( 7.229 0.000 3.974) 8.250 5.873 ( 5.329 0.000 13.418) 14.438 6.112 ( -5.686 0.000 15.034) 16.073 6.238 ( -9.664 0.000 -4.010) 10.464 7.125 ( 7.589 0.000 4.895) 9.030 7.338 ( -2.441 0.000 12.285) 12.525 7.477 ( 1.910 0.000 5.381) 5.710 7.544 ( -1.081 0.000 2.380) 2.614 8.359 ( 5.305 0.000 -3.585) 6.403 8.713 ( -12.354 0.000 -0.648) 12.371 9.137 ( 4.528 0.000 2.567) 5.205 9.172 ( 1.415 0.000 9.640) 9.744 9.204 ( 0.522 0.000 -5.394) 5.419 9.275 ( -1.312 0.000 -6.813) 6.938 9.314 ( 5.283 0.000 -0.186) 5.286 9.537 ( -4.260 0.000 0.893) 4.352 9.808 ( 4.715 0.000 1.955) 5.104 10.128 ( -9.726 0.000 0.123) 9.727 10.761 ( 11.137 0.000 -6.716) 13.005 11.104 ( 1.093 0.000 5.941) 6.040 11.119 ( -5.537 0.000 -6.000) 8.165 11.152 ( -0.941 0.000 6.402) 6.471 12.018 ( 0.785 0.000 -29.489) 29.499 12.036 ( 1.499 0.000 -14.043) 14.123 12.053 ( -0.731 0.000 -29.249) 29.258 12.116 ( -2.263 0.000 -9.108) 9.385 12.706 ( 4.352 0.000 -19.345) 19.829 12.858 ( -2.296 0.000 -14.345) 14.528 13.227 ( 0.599 0.000 0.976) 1.145 13.256 ( -0.659 0.000 -0.045) 0.661 13.542 ( 5.351 0.000 8.824) 10.320 13.983 ( -16.823 0.000 2.987) 17.086 14.117 ( 0.195 0.000 2.095) 2.104 14.124 ( -0.140 0.000 2.257) 2.261 14.585 ( 7.358 0.000 -12.753) 14.723 14.745 ( -1.878 0.000 -13.612) 13.741 16.299 ( 3.108 0.000 32.426) 32.574 16.625 ( -14.219 0.000 29.736) 32.961 17.800 ( 0.396 0.000 21.894) 21.898 17.819 ( -0.404 0.000 22.233) 22.237 19.578 ( 4.163 0.000 -15.524) 16.072 19.681 ( -1.193 0.000 -16.143) 16.187 21.853 ( 0.132 0.000 -15.142) 15.142 21.859 ( -0.118 0.000 -15.268) 15.268 22.159 ( 3.663 0.000 2.646) 4.519 22.339 ( -4.079 0.000 1.372) 4.303 23.312 ( 8.969 0.000 -1.318) 9.065 23.549 ( -2.757 0.000 0.997) 2.932 28.682 ( 1.298 0.000 8.991) 9.084 28.747 ( -1.474 0.000 8.529) 8.655 28.947 ( 0.320 0.000 2.748) 2.767 28.959 ( -0.215 0.000 2.554) 2.563 29.544 ( 0.466 0.000 3.522) 3.552 29.569 ( -0.643 0.000 4.246) 4.295 29.764 ( 5.707 0.000 23.957) 24.627 30.178 ( -11.222 0.000 10.355) 15.270 30.348 ( 3.826 0.000 2.469) 4.554 30.433 ( 2.203 0.000 8.263) 8.551 30.534 ( -4.138 0.000 0.450) 4.162 30.701 ( -17.526 0.000 11.068) 20.728 31.592 ( 0.481 0.000 -1.894) 1.954 31.596 ( -0.231 0.000 -2.006) 2.019 31.631 ( -1.486 0.000 -1.518) 2.124 31.644 ( -4.286 0.000 -2.558) 4.991 31.966 ( 5.008 0.000 -1.833) 5.333 32.156 ( -3.411 0.000 -4.798) 5.887 32.732 ( 32.574 0.000 -31.388) 45.236 33.398 ( -6.557 0.000 -38.744) 39.295 ======================= Grid point 72 (27/72) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -17.949 0.000 7.173) 19.329 1.298 ( 17.949 0.000 7.173) 19.329 1.436 ( -19.878 0.000 15.424) 25.160 1.436 ( 19.878 0.000 15.424) 25.160 2.211 ( -4.231 0.000 13.982) 14.608 2.211 ( 4.231 0.000 13.982) 14.608 2.470 ( -21.947 0.000 10.090) 24.156 2.470 ( 21.947 0.000 10.090) 24.156 2.740 ( -12.127 0.000 8.413) 14.759 2.740 ( 12.127 0.000 8.413) 14.759 2.880 ( -2.809 0.000 2.094) 3.503 2.880 ( 2.809 0.000 2.094) 3.503 3.192 ( -7.138 0.000 23.786) 24.834 3.192 ( 7.138 0.000 23.786) 24.834 3.379 ( -8.460 0.000 4.817) 9.735 3.379 ( 8.460 0.000 4.817) 9.735 3.394 ( -5.164 0.000 7.716) 9.284 3.394 ( 5.164 0.000 7.716) 9.284 3.972 ( -2.685 0.000 13.658) 13.919 3.972 ( 2.685 0.000 13.658) 13.919 4.103 ( -4.561 0.000 1.489) 4.798 4.103 ( 4.561 0.000 1.489) 4.798 4.119 ( -5.212 0.000 -3.963) 6.548 4.119 ( 5.212 0.000 -3.963) 6.548 4.999 ( -10.565 0.000 -6.646) 12.482 4.999 ( 10.565 0.000 -6.646) 12.482 5.356 ( -3.288 0.000 -3.066) 4.496 5.356 ( 3.288 0.000 -3.066) 4.496 5.992 ( -6.862 0.000 13.883) 15.486 5.992 ( 6.862 0.000 13.883) 15.486 6.025 ( -12.056 0.000 0.110) 12.056 6.025 ( 12.056 0.000 0.110) 12.056 7.260 ( -6.048 0.000 8.120) 10.125 7.260 ( 6.048 0.000 8.120) 10.125 7.515 ( -1.978 0.000 3.509) 4.028 7.515 ( 1.978 0.000 3.509) 4.028 8.501 ( -9.902 0.000 -1.487) 10.013 8.501 ( 9.902 0.000 -1.487) 10.013 9.183 ( -0.705 0.000 6.109) 6.150 9.183 ( 0.705 0.000 6.109) 6.150 9.234 ( -2.342 0.000 -7.493) 7.850 9.234 ( 2.342 0.000 -7.493) 7.850 9.432 ( -6.580 0.000 1.711) 6.799 9.432 ( 6.580 0.000 1.711) 6.799 9.941 ( -9.419 0.000 2.382) 9.715 9.941 ( 9.419 0.000 2.382) 9.715 10.970 ( -10.313 0.000 -6.978) 12.452 10.970 ( 10.313 0.000 -6.978) 12.452 11.129 ( -1.428 0.000 6.164) 6.327 11.129 ( 1.428 0.000 6.164) 6.327 12.036 ( -1.071 0.000 -29.385) 29.404 12.036 ( 1.071 0.000 -29.385) 29.404 12.072 ( -2.318 0.000 -12.304) 12.521 12.072 ( 2.318 0.000 -12.304) 12.521 12.794 ( -4.502 0.000 -16.282) 16.893 12.794 ( 4.502 0.000 -16.282) 16.893 13.241 ( -0.891 0.000 0.455) 1.001 13.241 ( 0.891 0.000 0.455) 1.001 13.703 ( -12.233 0.000 8.176) 14.714 13.703 ( 12.233 0.000 8.176) 14.714 14.121 ( -0.237 0.000 2.179) 2.192 14.121 ( 0.237 0.000 2.179) 2.192 14.690 ( -4.174 0.000 -13.923) 14.535 14.690 ( 4.174 0.000 -13.923) 14.535 16.404 ( -8.686 0.000 32.768) 33.899 16.404 ( 8.686 0.000 32.768) 33.899 17.810 ( -0.566 0.000 22.061) 22.069 17.810 ( 0.566 0.000 22.061) 22.069 19.645 ( -2.807 0.000 -16.748) 16.982 19.645 ( 2.807 0.000 -16.748) 16.982 21.856 ( -0.176 0.000 -15.205) 15.206 21.856 ( 0.176 0.000 -15.205) 15.206 22.247 ( -5.391 0.000 1.960) 5.736 22.247 ( 5.391 0.000 1.960) 5.736 23.464 ( -6.566 0.000 -0.765) 6.610 23.464 ( 6.566 0.000 -0.765) 6.610 28.713 ( -1.937 0.000 8.775) 8.986 28.713 ( 1.937 0.000 8.775) 8.986 28.954 ( -0.359 0.000 2.643) 2.667 28.954 ( 0.359 0.000 2.643) 2.667 29.555 ( -0.762 0.000 3.844) 3.919 29.555 ( 0.762 0.000 3.844) 3.919 29.931 ( -12.404 0.000 21.925) 25.191 29.931 ( 12.404 0.000 21.925) 25.191 30.439 ( -5.555 0.000 1.631) 5.790 30.439 ( 5.555 0.000 1.631) 5.790 30.502 ( -5.788 0.000 9.607) 11.216 30.502 ( 5.788 0.000 9.607) 11.216 31.604 ( -1.092 0.000 -2.851) 3.053 31.604 ( 1.092 0.000 -2.851) 3.053 31.607 ( -1.077 0.000 -1.711) 2.022 31.607 ( 1.077 0.000 -1.711) 2.022 32.070 ( -5.588 0.000 -3.452) 6.569 32.070 ( 5.588 0.000 -3.452) 6.569 33.189 ( -17.061 0.000 -39.184) 42.737 33.189 ( 17.061 0.000 -39.184) 42.737 ======================= Grid point 75 (28/72) ======================= q-point: ( 0.00 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 0.000 13.315 22.725) 26.338 1.219 ( 0.000 20.210 8.282) 21.841 1.825 ( 0.000 -0.206 -0.402) 0.451 1.862 ( 0.000 9.391 18.819) 21.032 1.993 ( 0.000 -3.851 5.252) 6.513 2.153 ( 0.000 0.104 9.453) 9.454 2.354 ( 0.000 0.061 11.436) 11.437 2.512 ( 0.000 11.271 9.131) 14.506 2.745 ( 0.000 -8.141 2.025) 8.389 2.799 ( 0.000 -9.948 4.566) 10.946 2.940 ( 0.000 -3.714 23.845) 24.132 3.062 ( 0.000 4.282 -2.585) 5.002 3.083 ( 0.000 3.118 12.717) 13.094 3.241 ( 0.000 0.913 2.182) 2.366 3.267 ( 0.000 -1.195 2.307) 2.599 3.324 ( 0.000 -14.816 12.435) 19.343 3.552 ( 0.000 2.836 5.465) 6.157 3.576 ( 0.000 8.359 7.143) 10.995 3.675 ( 0.000 -1.381 11.618) 11.700 3.963 ( 0.000 0.837 6.317) 6.372 4.024 ( 0.000 -0.439 7.335) 7.348 4.106 ( 0.000 -0.242 6.603) 6.607 4.232 ( 0.000 6.626 2.872) 7.222 4.398 ( 0.000 5.084 9.041) 10.372 4.521 ( 0.000 -12.621 -9.611) 15.864 4.915 ( 0.000 -15.828 -2.398) 16.008 5.395 ( 0.000 6.252 0.027) 6.252 5.524 ( 0.000 3.100 2.474) 3.966 5.813 ( 0.000 0.295 11.228) 11.232 5.981 ( 0.000 12.978 -2.163) 13.157 6.082 ( 0.000 -6.298 16.912) 18.047 6.377 ( 0.000 0.656 -4.957) 5.000 6.997 ( 0.000 1.124 3.792) 3.955 7.288 ( 0.000 -3.061 13.979) 14.311 7.523 ( 0.000 0.195 7.420) 7.422 7.580 ( 0.000 9.069 2.579) 9.428 8.247 ( 0.000 -2.642 -0.534) 2.696 8.580 ( 0.000 -18.043 -3.834) 18.445 8.874 ( 0.000 -13.206 4.954) 14.104 8.908 ( 0.000 -11.914 1.445) 12.001 9.183 ( 0.000 -11.091 -5.690) 12.465 9.195 ( 0.000 -8.930 4.566) 10.029 9.285 ( 0.000 -4.469 3.620) 5.751 9.455 ( 0.000 -8.885 -2.630) 9.266 10.038 ( 0.000 20.730 0.739) 20.743 10.461 ( 0.000 17.122 0.903) 17.146 10.749 ( 0.000 11.235 -7.636) 13.584 11.113 ( 0.000 7.598 -1.349) 7.716 11.296 ( 0.000 11.046 0.922) 11.085 11.424 ( 0.000 10.942 -8.061) 13.591 12.014 ( 0.000 1.606 -7.139) 7.317 12.050 ( 0.000 -2.572 -26.067) 26.193 12.139 ( 0.000 6.317 -29.996) 30.654 12.140 ( 0.000 1.749 -0.160) 1.756 12.704 ( 0.000 4.928 -24.950) 25.432 12.815 ( 0.000 -4.153 -14.196) 14.791 13.244 ( 0.000 1.293 -3.833) 4.045 13.290 ( 0.000 2.300 -4.335) 4.908 13.380 ( 0.000 -9.166 5.199) 10.538 13.847 ( 0.000 -15.436 -2.503) 15.637 14.259 ( 0.000 9.531 3.166) 10.044 14.425 ( 0.000 9.994 0.496) 10.007 14.456 ( 0.000 -0.650 -6.620) 6.652 14.711 ( 0.000 -4.106 -10.709) 11.469 16.330 ( 0.000 5.743 31.224) 31.748 16.788 ( 0.000 0.497 26.825) 26.830 17.649 ( 0.000 -12.720 20.775) 24.360 17.706 ( 0.000 -9.825 21.432) 23.577 19.705 ( 0.000 15.333 -11.472) 19.149 19.887 ( 0.000 16.742 -14.455) 22.119 21.672 ( 0.000 -16.497 -8.562) 18.587 21.763 ( 0.000 -11.022 -13.108) 17.126 22.183 ( 0.000 7.009 -3.220) 7.713 22.425 ( 0.000 5.795 -2.479) 6.303 23.141 ( 0.000 -6.049 0.042) 6.049 23.486 ( 0.000 -7.799 1.070) 7.872 28.752 ( 0.000 6.546 6.121) 8.962 28.838 ( 0.000 6.417 6.817) 9.362 28.956 ( 0.000 1.018 2.845) 3.021 28.973 ( 0.000 1.057 2.430) 2.650 29.497 ( 0.000 -2.234 10.506) 10.741 29.546 ( 0.000 -0.309 7.337) 7.344 29.863 ( 0.000 10.088 15.281) 18.310 30.172 ( 0.000 -8.579 4.337) 9.612 30.216 ( 0.000 -8.207 6.049) 10.195 30.422 ( 0.000 0.149 6.408) 6.410 30.614 ( 0.000 3.019 0.651) 3.088 30.877 ( 0.000 -6.226 1.100) 6.323 31.549 ( 0.000 -4.230 -4.015) 5.832 31.569 ( 0.000 -2.447 -2.089) 3.217 31.584 ( 0.000 -1.657 -3.403) 3.785 31.739 ( 0.000 -7.529 -0.471) 7.543 31.960 ( 0.000 11.416 -4.271) 12.189 32.295 ( 0.000 9.529 -6.802) 11.708 32.469 ( 0.000 11.252 -14.158) 18.085 33.365 ( 0.000 -7.873 -34.115) 35.011 ======================= Grid point 76 (29/72) ======================= q-point: ( 0.25 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 4.454 12.718 15.803) 20.768 1.313 ( 9.309 16.218 7.412) 20.115 1.702 ( -11.603 4.605 1.832) 12.617 1.830 ( -13.026 2.285 5.497) 14.322 2.082 ( 16.669 6.063 16.531) 24.246 2.191 ( 3.332 -1.956 8.977) 9.773 2.277 ( -4.283 -1.647 12.986) 13.773 2.598 ( 3.978 4.692 5.038) 7.951 2.714 ( -2.584 -9.526 1.998) 10.071 2.804 ( -3.318 -0.458 1.790) 3.798 2.893 ( -7.352 -3.639 4.690) 9.450 2.950 ( -1.304 -0.368 16.542) 16.597 3.086 ( -0.112 3.437 18.477) 18.795 3.238 ( -3.506 -9.036 5.280) 11.038 3.274 ( 2.110 2.283 3.233) 4.486 3.353 ( 1.557 -4.588 10.157) 11.254 3.461 ( 2.523 10.894 13.201) 17.301 3.659 ( 0.400 4.397 7.583) 8.775 3.775 ( 5.568 -4.928 10.100) 12.542 3.959 ( 0.318 -1.226 0.688) 1.441 3.992 ( -10.219 -1.871 12.176) 16.006 4.017 ( -2.782 -2.151 11.046) 11.592 4.221 ( 0.714 5.696 0.065) 5.741 4.308 ( -4.723 7.656 5.807) 10.707 4.626 ( 10.056 -11.966 -8.800) 17.937 4.948 ( -0.709 -14.397 -4.934) 15.236 5.422 ( 2.601 5.119 -0.592) 5.773 5.510 ( -1.401 2.683 1.747) 3.495 5.866 ( 4.953 0.335 11.270) 12.315 6.024 ( 3.035 7.370 2.642) 8.397 6.051 ( -1.295 0.335 10.595) 10.679 6.317 ( -6.392 4.004 -4.388) 8.726 7.056 ( 5.849 -1.484 5.291) 8.025 7.261 ( -2.996 -3.356 12.167) 12.972 7.540 ( 1.679 1.595 6.852) 7.232 7.584 ( 0.113 8.043 2.980) 8.578 8.272 ( 2.738 -4.773 -0.842) 5.567 8.487 ( -7.768 -14.686 -2.492) 16.799 8.899 ( 1.959 -14.152 3.900) 14.810 8.940 ( 1.916 -12.965 1.690) 13.214 9.173 ( -0.174 -9.441 -3.114) 9.943 9.196 ( -0.019 -9.709 2.872) 10.125 9.307 ( 2.072 -5.703 2.057) 6.407 9.426 ( -2.942 -8.877 -1.925) 9.548 10.079 ( 4.453 20.677 1.682) 21.218 10.364 ( -8.477 17.904 1.624) 19.876 10.854 ( 8.890 10.381 -6.800) 15.265 11.095 ( -2.284 7.863 -2.155) 8.466 11.303 ( 0.889 10.931 -0.372) 10.973 11.393 ( -2.980 10.674 -7.206) 13.219 12.014 ( 0.207 0.985 -9.560) 9.613 12.042 ( -0.791 -1.049 -19.869) 19.913 12.143 ( 0.345 5.118 -21.719) 22.316 12.144 ( 0.361 3.135 -13.091) 13.466 12.725 ( 2.099 3.047 -22.676) 22.976 12.804 ( -1.214 -3.245 -15.198) 15.587 13.249 ( 0.566 1.330 -3.914) 4.172 13.281 ( -0.826 1.879 -4.184) 4.660 13.423 ( 4.705 -9.235 5.049) 11.529 13.746 ( -9.668 -13.820 0.502) 16.873 14.266 ( 0.754 9.954 3.167) 10.473 14.337 ( -3.921 10.646 2.058) 11.531 14.560 ( 5.649 -1.575 -8.700) 10.491 14.695 ( -1.752 -4.006 -10.762) 11.617 16.357 ( 3.112 5.770 31.489) 32.165 16.652 ( -11.712 3.215 30.071) 32.431 17.660 ( 1.000 -12.181 20.847) 24.166 17.699 ( -0.733 -10.204 21.331) 23.658 19.751 ( 4.037 14.996 -13.477) 20.562 19.871 ( -1.732 16.310 -14.774) 22.074 21.687 ( 1.490 -15.702 -9.306) 18.313 21.750 ( -1.292 -11.802 -12.436) 17.193 22.214 ( 3.265 6.757 -2.804) 8.011 22.384 ( -4.046 5.886 -2.111) 7.448 23.229 ( 7.868 -7.255 -0.966) 10.746 23.459 ( -3.001 -7.981 0.559) 8.545 28.762 ( 1.076 6.441 6.388) 9.135 28.823 ( -1.507 6.338 6.849) 9.452 28.959 ( 0.321 1.045 2.783) 2.990 28.971 ( -0.202 1.054 2.485) 2.706 29.507 ( 0.943 -2.015 9.800) 10.049 29.541 ( -0.533 -0.619 7.561) 7.605 29.889 ( 3.060 8.115 15.373) 17.651 30.118 ( -5.840 -5.768 7.337) 11.010 30.263 ( 4.907 -6.751 6.512) 10.586 30.443 ( 2.199 0.494 6.100) 6.503 30.565 ( -5.532 2.337 1.928) 6.307 30.672 ( -14.669 -1.753 9.447) 17.535 31.554 ( 0.468 -3.355 -4.448) 5.591 31.565 ( -0.224 -1.923 -3.200) 3.740 31.589 ( 0.576 -1.552 -2.703) 3.170 31.662 ( -3.985 -1.706 -1.713) 4.661 32.056 ( 6.468 8.574 -3.643) 11.341 32.263 ( -3.510 9.397 -6.121) 11.752 32.750 ( 22.640 0.318 -25.644) 34.210 33.307 ( -6.449 -7.817 -34.196) 35.666 ======================= Grid point 77 (30/72) ======================= q-point: (-0.50 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -11.547 8.199 3.779) 14.657 1.404 ( 11.547 8.199 3.779) 14.657 1.574 ( -11.334 10.803 8.834) 17.978 1.574 ( 11.334 10.803 8.834) 17.978 2.215 ( -2.512 -2.303 11.409) 11.907 2.215 ( 2.512 -2.303 11.409) 11.907 2.458 ( -18.187 0.146 5.947) 19.135 2.458 ( 18.187 0.146 5.947) 19.135 2.700 ( -2.627 -4.098 5.942) 7.681 2.700 ( 2.627 -4.098 5.942) 7.681 2.909 ( -3.355 4.159 7.663) 9.342 2.909 ( 3.355 4.159 7.663) 9.342 3.141 ( -5.544 -7.137 15.825) 18.224 3.141 ( 5.544 -7.137 15.825) 18.224 3.328 ( -3.037 2.447 8.120) 9.008 3.328 ( 3.037 2.447 8.120) 9.008 3.602 ( -8.176 12.041 7.225) 16.249 3.602 ( 8.176 12.041 7.225) 16.249 3.827 ( -3.830 -9.022 19.170) 21.530 3.827 ( 3.830 -9.022 19.170) 21.530 3.978 ( -1.615 -4.880 0.859) 5.212 3.978 ( 1.615 -4.880 0.859) 5.212 4.254 ( -2.100 7.833 2.164) 8.393 4.254 ( 2.100 7.833 2.164) 8.393 4.834 ( -10.559 -11.994 -7.316) 17.575 4.834 ( 10.559 -11.994 -7.316) 17.575 5.474 ( -2.573 3.209 -0.141) 4.115 5.474 ( 2.573 3.209 -0.141) 4.115 5.963 ( -4.970 -1.709 13.165) 14.175 5.963 ( 4.970 -1.709 13.165) 14.175 6.167 ( -8.677 9.368 -3.311) 13.192 6.167 ( 8.677 9.368 -3.311) 13.192 7.175 ( -6.081 -3.515 8.479) 11.010 7.175 ( 6.081 -3.515 8.479) 11.010 7.573 ( -1.455 5.004 4.908) 7.159 7.573 ( 1.455 5.004 4.908) 7.159 8.353 ( -6.046 -9.645 -1.502) 11.481 8.353 ( 6.046 -9.645 -1.502) 11.481 8.937 ( -1.802 -14.042 2.287) 14.341 8.937 ( 1.802 -14.042 2.287) 14.341 9.187 ( -1.112 -9.198 0.440) 9.276 9.187 ( 1.112 -9.198 0.440) 9.276 9.360 ( -3.621 -7.852 -0.157) 8.648 9.360 ( 3.621 -7.852 -0.157) 8.648 10.200 ( -8.362 19.677 2.681) 21.548 10.200 ( 8.362 19.677 2.681) 21.548 11.011 ( -6.993 8.839 -4.751) 12.231 11.011 ( 6.993 8.839 -4.751) 12.231 11.335 ( -2.692 10.589 -3.886) 11.596 11.335 ( 2.692 10.589 -3.886) 11.596 12.025 ( -0.903 0.322 -13.291) 13.326 12.025 ( 0.903 0.322 -13.291) 13.326 12.148 ( -0.065 4.295 -19.254) 19.728 12.148 ( 0.065 4.295 -19.254) 19.728 12.770 ( -2.396 -0.570 -18.312) 18.476 12.770 ( 2.396 -0.570 -18.312) 18.476 13.264 ( -0.941 1.496 -4.060) 4.428 13.264 ( 0.941 1.496 -4.060) 4.428 13.555 ( -9.471 -10.666 4.149) 14.856 13.555 ( 9.471 -10.666 4.149) 14.856 14.288 ( -1.741 10.885 3.056) 11.439 14.288 ( 1.741 10.885 3.056) 11.439 14.646 ( -3.636 -3.493 -10.533) 11.678 14.646 ( 3.636 -3.493 -10.533) 11.678 16.457 ( -8.130 5.441 31.864) 33.332 16.457 ( 8.130 5.441 31.864) 33.332 17.681 ( -1.130 -11.134 21.091) 23.876 17.681 ( 1.130 -11.134 21.091) 23.876 19.823 ( -3.380 15.412 -14.964) 21.745 19.823 ( 3.380 15.412 -14.964) 21.745 21.720 ( -1.841 -13.735 -10.951) 17.663 21.720 ( 1.841 -13.735 -10.951) 17.663 22.295 ( -5.079 6.249 -2.152) 8.335 22.295 ( 5.079 6.249 -2.152) 8.335 23.371 ( -6.546 -8.147 -0.674) 10.473 23.371 ( 6.546 -8.147 -0.674) 10.473 28.790 ( -1.816 6.304 6.766) 9.424 28.790 ( 1.816 6.304 6.766) 9.424 28.966 ( -0.339 1.053 2.628) 2.851 28.966 ( 0.339 1.053 2.628) 2.851 29.527 ( -1.044 -1.349 8.406) 8.578 29.527 ( 1.044 -1.349 8.406) 8.578 29.985 ( -7.174 2.299 13.588) 15.537 29.985 ( 7.174 2.299 13.588) 15.537 30.390 ( -8.756 -3.020 7.682) 12.033 30.390 ( 8.756 -3.020 7.682) 12.033 30.516 ( -4.545 0.986 6.059) 7.638 30.516 ( 4.545 0.986 6.059) 7.638 31.562 ( -0.258 -2.305 -4.210) 4.806 31.562 ( 0.258 -2.305 -4.210) 4.806 31.610 ( -1.864 -1.171 -2.437) 3.284 31.610 ( 1.864 -1.171 -2.437) 3.284 32.173 ( -5.943 9.040 -4.737) 11.810 32.173 ( 5.943 9.040 -4.737) 11.810 33.112 ( -15.130 -6.562 -33.125) 37.003 33.112 ( 15.130 -6.562 -33.125) 37.003 ======================= Grid point 80 (31/72) ======================= q-point: ( 0.00 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.000 12.378 11.025) 16.576 1.630 ( 0.000 11.522 4.801) 12.482 1.807 ( 0.000 0.540 2.740) 2.793 2.033 ( 0.000 8.851 8.762) 12.454 2.034 ( 0.000 0.363 0.383) 0.527 2.159 ( 0.000 8.495 -2.545) 8.868 2.254 ( 0.000 -3.070 14.945) 15.257 2.462 ( 0.000 -8.182 9.608) 12.619 2.675 ( 0.000 -4.392 -0.804) 4.465 2.734 ( 0.000 -0.862 2.716) 2.849 2.840 ( 0.000 -4.664 12.581) 13.418 2.994 ( 0.000 -17.660 0.654) 17.672 3.050 ( 0.000 -6.436 -0.243) 6.440 3.100 ( 0.000 -6.682 2.709) 7.210 3.223 ( 0.000 6.192 19.772) 20.719 3.387 ( 0.000 10.599 6.571) 12.471 3.581 ( 0.000 -0.524 18.063) 18.070 3.792 ( 0.000 10.260 12.138) 15.893 3.797 ( 0.000 10.944 6.422) 12.689 3.963 ( 0.000 0.083 18.850) 18.850 4.063 ( 0.000 1.907 10.717) 10.885 4.183 ( 0.000 6.241 9.905) 11.708 4.216 ( 0.000 -15.394 -9.433) 18.055 4.352 ( 0.000 8.024 4.732) 9.315 4.546 ( 0.000 -17.634 -3.511) 17.980 4.623 ( 0.000 19.274 4.945) 19.898 5.369 ( 0.000 -12.497 2.081) 12.669 5.450 ( 0.000 -9.422 -0.182) 9.423 5.862 ( 0.000 3.790 6.148) 7.223 5.985 ( 0.000 -1.664 16.876) 16.958 6.041 ( 0.000 -5.646 3.831) 6.823 6.235 ( 0.000 -10.961 0.681) 10.982 7.236 ( 0.000 15.912 4.227) 16.464 7.453 ( 0.000 19.764 4.644) 20.302 7.585 ( 0.000 4.241 5.629) 7.048 7.826 ( 0.000 12.015 5.833) 13.356 8.188 ( 0.000 -4.072 -1.666) 4.400 8.317 ( 0.000 -4.034 -3.691) 5.468 8.597 ( 0.000 -14.052 1.967) 14.189 8.645 ( 0.000 -11.521 3.631) 12.080 8.888 ( 0.000 -12.794 -2.709) 13.077 8.930 ( 0.000 -12.633 1.501) 12.722 9.088 ( 0.000 -10.003 9.393) 13.722 9.202 ( 0.000 -12.762 0.979) 12.799 10.534 ( 0.000 22.949 -1.548) 23.001 10.855 ( 0.000 17.995 0.326) 17.998 11.049 ( 0.000 12.351 -10.028) 15.910 11.344 ( 0.000 4.903 -6.097) 7.824 11.416 ( 0.000 0.204 -9.563) 9.566 11.521 ( 0.000 5.155 -13.709) 14.646 11.877 ( 0.000 -12.580 -18.830) 22.646 12.129 ( 0.000 -8.280 -20.673) 22.269 12.207 ( 0.000 15.628 5.474) 16.559 12.327 ( 0.000 15.649 7.743) 17.460 12.761 ( 0.000 -1.657 -13.422) 13.524 12.836 ( 0.000 2.988 -19.114) 19.347 13.172 ( 0.000 -7.053 -8.065) 10.715 13.247 ( 0.000 -1.332 -15.317) 15.375 13.329 ( 0.000 0.455 -13.783) 13.790 13.504 ( 0.000 -14.579 -6.365) 15.908 14.427 ( 0.000 4.715 4.127) 6.266 14.451 ( 0.000 0.385 -1.364) 1.417 14.570 ( 0.000 3.294 3.214) 4.602 14.624 ( 0.000 -3.016 -3.567) 4.671 16.543 ( 0.000 13.970 27.385) 30.743 16.875 ( 0.000 7.947 27.222) 28.358 17.307 ( 0.000 -17.886 20.272) 27.034 17.433 ( 0.000 -14.472 21.614) 26.012 20.134 ( 0.000 23.202 -9.944) 25.244 20.342 ( 0.000 23.890 -12.529) 26.976 21.216 ( 0.000 -24.109 -7.844) 25.353 21.391 ( 0.000 -21.753 -10.441) 24.129 22.403 ( 0.000 12.407 -4.288) 13.127 22.639 ( 0.000 12.917 -5.008) 13.854 22.955 ( 0.000 -10.861 -1.024) 10.909 23.254 ( 0.000 -13.086 -0.660) 13.103 28.897 ( 0.000 5.765 2.716) 6.373 28.978 ( 0.000 0.784 2.606) 2.722 28.982 ( 0.000 5.209 3.218) 6.123 29.004 ( 0.000 1.698 2.332) 2.885 29.513 ( 0.000 4.511 13.182) 13.932 29.581 ( 0.000 4.244 10.487) 11.313 29.944 ( 0.000 -11.814 6.968) 13.716 29.992 ( 0.000 -11.722 9.117) 14.849 30.090 ( 0.000 10.254 10.329) 14.555 30.397 ( 0.000 -2.867 6.428) 7.038 30.683 ( 0.000 2.955 1.449) 3.291 30.775 ( 0.000 -2.946 1.808) 3.456 31.476 ( 0.000 -2.048 -5.389) 5.765 31.515 ( 0.000 -2.441 -3.450) 4.226 31.552 ( 0.000 -1.151 -5.221) 5.346 31.616 ( 0.000 -4.401 -3.110) 5.389 32.223 ( 0.000 12.125 -5.726) 13.409 32.550 ( 0.000 8.584 -11.869) 14.648 32.585 ( 0.000 4.320 -11.277) 12.076 33.146 ( 0.000 -11.776 -25.370) 27.969 ======================= Grid point 81 (32/72) ======================= q-point: ( 0.25 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.139 11.075 5.785) 12.495 1.666 ( 0.801 12.059 -0.142) 12.086 1.768 ( -1.913 2.687 3.116) 4.537 1.963 ( -5.898 6.759 8.048) 12.052 2.073 ( -0.935 -6.131 7.300) 9.579 2.160 ( -4.486 1.003 2.162) 5.079 2.240 ( 8.485 4.752 5.456) 11.151 2.521 ( -0.576 -7.516 6.239) 9.785 2.659 ( -0.483 -0.359 1.890) 1.984 2.727 ( 5.350 -6.458 5.857) 10.229 2.865 ( -4.383 -0.334 8.301) 9.393 2.983 ( 2.984 -4.092 4.768) 6.956 3.041 ( -4.404 -7.440 4.979) 9.977 3.116 ( 5.194 -9.284 2.235) 10.871 3.194 ( -3.251 4.767 17.290) 18.227 3.324 ( -4.854 2.560 7.627) 9.396 3.630 ( 5.193 2.196 16.050) 17.012 3.780 ( 0.500 8.781 7.779) 11.742 3.833 ( -0.928 5.707 17.197) 18.143 3.928 ( -4.256 0.808 15.715) 16.302 4.029 ( -1.977 3.802 11.017) 11.821 4.102 ( -5.064 2.597 10.192) 11.673 4.284 ( 6.043 -3.810 -7.536) 10.384 4.374 ( 1.763 5.213 -0.283) 5.511 4.600 ( 3.319 -13.905 -2.036) 14.440 4.620 ( -0.120 15.897 4.399) 16.495 5.372 ( 0.359 -12.673 1.673) 12.788 5.423 ( -2.332 -9.718 0.075) 9.995 5.902 ( 3.295 2.677 7.593) 8.699 5.975 ( -0.635 -0.795 15.448) 15.481 6.093 ( 4.555 -5.703 3.292) 8.007 6.227 ( -1.136 -10.363 1.818) 10.582 7.250 ( 1.913 15.844 3.479) 16.334 7.409 ( -4.310 17.736 4.201) 18.729 7.627 ( 4.210 5.018 5.466) 8.531 7.806 ( -2.637 10.734 5.712) 12.442 8.173 ( -0.649 -4.343 -2.223) 4.922 8.272 ( -4.156 -3.431 -3.184) 6.260 8.610 ( 1.338 -13.564 2.411) 13.842 8.654 ( 0.207 -13.324 3.017) 13.662 8.902 ( 2.080 -10.973 -0.688) 11.190 8.954 ( 1.460 -10.930 3.325) 11.518 9.088 ( 0.189 -11.274 6.330) 12.931 9.172 ( -2.943 -12.849 1.222) 13.239 10.566 ( 3.415 22.490 -1.054) 22.772 10.776 ( -6.435 18.919 -0.516) 19.990 11.146 ( 8.106 11.202 -7.565) 15.762 11.350 ( 0.311 7.176 -5.110) 8.816 11.402 ( -1.337 -2.655 -9.365) 9.825 11.471 ( -4.698 5.575 -16.905) 18.410 11.920 ( 4.083 -10.857 -18.303) 21.669 12.086 ( -3.691 -6.120 -17.685) 19.075 12.240 ( 2.583 13.034 3.130) 13.651 12.316 ( -1.172 15.124 6.993) 16.704 12.773 ( 1.270 -0.901 -14.167) 14.252 12.827 ( -1.006 2.401 -18.273) 18.458 13.202 ( 3.211 -7.350 -7.581) 11.037 13.254 ( 0.682 -1.286 -14.958) 15.028 13.318 ( -0.917 -0.283 -13.874) 13.907 13.442 ( -5.994 -12.741 -6.033) 15.319 14.440 ( 1.338 4.880 3.816) 6.337 14.470 ( 1.336 1.864 -0.397) 2.327 14.560 ( -0.527 1.467 1.871) 2.436 14.611 ( -1.466 -2.957 -3.291) 4.661 16.570 ( 2.997 13.906 27.608) 31.058 16.795 ( -7.356 10.220 27.757) 30.479 17.327 ( 1.942 -17.606 20.454) 27.057 17.415 ( -1.901 -15.185 21.383) 26.295 20.173 ( 3.764 22.879 -10.943) 25.640 20.317 ( -2.631 23.542 -12.535) 26.800 21.241 ( 2.629 -23.810 -7.959) 25.242 21.365 ( -2.656 -22.126 -9.832) 24.357 22.436 ( 3.389 12.762 -4.304) 13.888 22.601 ( -3.725 13.114 -4.654) 14.405 23.018 ( 5.917 -11.871 -1.404) 13.338 23.224 ( -3.266 -13.202 -0.888) 13.629 28.907 ( 0.993 5.731 2.973) 6.532 28.964 ( -1.417 4.835 3.290) 6.018 28.985 ( 0.326 1.383 2.600) 2.963 29.001 ( -0.348 1.536 2.384) 2.857 29.523 ( 1.021 4.333 12.801) 13.553 29.572 ( -1.001 4.136 10.863) 11.667 29.933 ( -0.944 -10.580 7.635) 13.081 29.945 ( -2.491 -7.026 8.728) 11.478 30.196 ( 8.940 4.742 10.384) 14.499 30.431 ( 3.561 -2.101 6.087) 7.359 30.615 ( -8.598 1.961 3.660) 9.548 30.654 ( -8.919 0.004 5.124) 10.286 31.493 ( 1.431 -1.888 -5.925) 6.381 31.524 ( 0.652 -1.814 -4.228) 4.647 31.547 ( -0.187 -1.781 -5.056) 5.364 31.596 ( -1.724 -3.447 -3.712) 5.351 32.293 ( 6.403 11.985 -6.442) 15.038 32.524 ( -3.907 13.640 -10.063) 17.395 32.702 ( 11.893 -4.982 -16.726) 21.119 33.092 ( -5.835 -11.478 -24.769) 27.916 ======================= Grid point 82 (33/72) ======================= q-point: (-0.50 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -6.978 8.287 -2.329) 11.081 1.578 ( 6.978 8.287 -2.329) 11.081 1.834 ( -6.951 9.421 7.096) 13.690 1.834 ( 6.951 9.421 7.096) 13.690 2.082 ( -2.856 -5.629 5.810) 8.579 2.082 ( 2.856 -5.629 5.810) 8.579 2.415 ( -8.488 -4.611 3.184) 10.171 2.415 ( 8.488 -4.611 3.184) 10.171 2.730 ( -7.197 4.992 2.734) 9.175 2.730 ( 7.197 4.992 2.734) 9.175 2.890 ( -9.620 -6.242 9.212) 14.709 2.890 ( 9.620 -6.242 9.212) 14.709 3.101 ( -6.308 1.700 12.028) 13.688 3.101 ( 6.308 1.700 12.028) 13.688 3.229 ( -5.851 -7.219 5.924) 11.020 3.229 ( 5.851 -7.219 5.924) 11.020 3.741 ( -5.841 1.709 13.766) 15.051 3.741 ( 5.841 1.709 13.766) 15.051 3.836 ( -4.099 4.817 14.947) 16.230 3.836 ( 4.099 4.817 14.947) 16.230 4.032 ( -2.294 8.104 11.259) 14.060 4.032 ( 2.294 8.104 11.259) 14.060 4.378 ( -2.435 -0.497 -4.606) 5.233 4.378 ( 2.435 -0.497 -4.606) 5.233 4.624 ( -0.277 1.322 1.094) 1.738 4.624 ( 0.277 1.322 1.094) 1.738 5.386 ( -1.363 -11.566 0.754) 11.671 5.386 ( 1.364 -11.566 0.754) 11.671 5.954 ( -1.986 1.136 11.698) 11.920 5.954 ( 1.986 1.136 11.698) 11.920 6.180 ( -4.083 -7.770 2.662) 9.172 6.180 ( 4.083 -7.770 2.662) 9.172 7.316 ( -4.979 15.720 3.305) 16.817 7.316 ( 4.979 15.720 3.305) 16.817 7.724 ( -5.648 7.261 5.332) 10.633 7.724 ( 5.648 7.261 5.332) 10.633 8.196 ( -3.218 -3.531 -2.612) 5.445 8.196 ( 3.218 -3.531 -2.612) 5.445 8.640 ( -1.577 -13.739 2.579) 14.068 8.640 ( 1.577 -13.739 2.579) 14.068 8.950 ( -2.130 -9.374 3.328) 10.173 8.950 ( 2.130 -9.374 3.328) 10.173 9.113 ( -2.746 -12.883 2.295) 13.371 9.113 ( 2.746 -12.883 2.295) 13.371 10.656 ( -6.039 20.992 -0.405) 21.847 10.656 ( 6.039 20.992 -0.405) 21.847 11.296 ( -7.028 9.011 -2.391) 11.675 11.296 ( 7.028 9.011 -2.391) 11.675 11.400 ( -1.960 1.054 -17.321) 17.464 11.400 ( 1.960 1.054 -17.321) 17.464 12.006 ( -4.787 -7.923 -17.684) 19.960 12.006 ( 4.787 -7.923 -17.684) 19.960 12.285 ( -2.146 13.787 4.870) 14.778 12.285 ( 2.146 13.787 4.870) 14.778 12.801 ( -1.596 0.830 -16.160) 16.260 12.801 ( 1.596 0.830 -16.160) 16.260 13.261 ( -1.028 -3.246 -11.775) 12.257 13.261 ( 1.028 -3.246 -11.775) 12.257 13.329 ( -4.221 -7.186 -8.946) 12.227 13.329 ( 4.221 -7.186 -8.946) 12.227 14.469 ( -1.409 5.033 2.922) 5.988 14.469 ( 1.409 5.033 2.922) 5.988 14.575 ( -1.995 -2.448 -2.103) 3.794 14.575 ( 1.995 -2.448 -2.103) 3.794 16.658 ( -6.517 13.040 27.994) 31.563 16.658 ( 6.517 13.040 27.994) 31.563 17.371 ( -2.594 -16.606 20.888) 26.811 17.371 ( 2.594 -16.606 20.888) 26.811 20.252 ( -4.239 22.931 -12.182) 26.310 20.252 ( 4.239 22.931 -12.182) 26.310 21.303 ( -3.696 -23.016 -8.682) 24.875 21.303 ( 3.696 -23.016 -8.682) 24.875 22.517 ( -4.934 13.215 -4.374) 14.769 22.517 ( 4.934 13.215 -4.374) 14.769 23.136 ( -6.046 -13.060 -1.360) 14.456 23.136 ( 6.046 -13.060 -1.360) 14.456 28.933 ( -1.719 5.540 3.334) 6.691 28.933 ( 1.719 5.540 3.334) 6.691 28.993 ( -0.473 1.215 2.477) 2.799 28.993 ( 0.473 1.215 2.477) 2.799 29.548 ( -1.462 4.091 11.830) 12.602 29.548 ( 1.462 4.091 11.830) 12.602 29.922 ( -0.145 -8.133 8.333) 11.645 29.922 ( 0.145 -8.133 8.333) 11.645 30.392 ( -11.954 3.378 9.360) 15.554 30.392 ( 11.954 3.378 9.360) 15.554 30.526 ( -6.025 -0.548 5.285) 8.033 30.526 ( 6.025 -0.548 5.285) 8.033 31.518 ( -1.135 -1.389 -5.856) 6.125 31.518 ( 1.135 -1.389 -5.856) 6.125 31.563 ( -1.631 -2.691 -4.197) 5.246 31.563 ( 1.631 -2.691 -4.197) 5.246 32.421 ( -6.790 12.853 -8.280) 16.729 32.421 ( 6.790 12.853 -8.280) 16.729 32.932 ( -11.338 -9.769 -22.296) 26.853 32.932 ( 11.338 -9.769 -22.296) 26.853 ======================= Grid point 85 (34/72) ======================= q-point: ( 0.00 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.000 -3.204 1.462) 3.522 1.691 ( 0.000 3.204 1.462) 3.522 1.888 ( 0.000 -6.772 10.894) 12.827 1.888 ( 0.000 6.772 10.894) 12.827 2.255 ( 0.000 -8.270 7.728) 11.319 2.255 ( 0.000 8.270 7.728) 11.319 2.454 ( 0.000 -19.147 8.423) 20.918 2.454 ( 0.000 19.147 8.423) 20.918 2.539 ( 0.000 -11.468 -5.125) 12.561 2.539 ( 0.000 11.468 -5.125) 12.561 2.771 ( 0.000 -1.098 -0.252) 1.126 2.771 ( 0.000 1.098 -0.252) 1.126 2.956 ( 0.000 -0.981 6.204) 6.281 2.956 ( 0.000 0.981 6.204) 6.281 3.390 ( 0.000 -7.305 16.168) 17.741 3.390 ( 0.000 7.305 16.168) 17.741 3.806 ( 0.000 -14.818 3.888) 15.319 3.806 ( 0.000 14.818 3.888) 15.319 3.977 ( 0.000 -1.086 22.320) 22.346 3.977 ( 0.000 1.086 22.320) 22.346 4.059 ( 0.000 -7.078 4.950) 8.637 4.059 ( 0.000 7.078 4.950) 8.637 4.185 ( 0.000 -13.246 0.438) 13.253 4.185 ( 0.000 13.246 0.438) 13.253 4.878 ( 0.000 -28.599 2.537) 28.711 4.878 ( 0.000 28.599 2.537) 28.711 5.098 ( 0.000 -22.056 1.223) 22.090 5.098 ( 0.000 22.056 1.223) 22.090 5.937 ( 0.000 -3.052 9.098) 9.596 5.937 ( 0.000 3.052 9.098) 9.596 6.036 ( 0.000 -6.486 8.132) 10.402 6.036 ( 0.000 6.486 8.132) 10.402 7.537 ( 0.000 -9.832 5.581) 11.305 7.537 ( 0.000 9.832 5.581) 11.305 7.893 ( 0.000 -14.053 0.335) 14.057 7.893 ( 0.000 14.053 0.335) 14.057 8.247 ( 0.000 -14.614 -3.021) 14.923 8.247 ( 0.000 14.614 -3.021) 14.923 8.394 ( 0.000 -10.767 3.012) 11.180 8.394 ( 0.000 10.767 3.012) 11.180 8.763 ( 0.000 -1.522 0.681) 1.667 8.763 ( 0.000 1.522 0.681) 1.667 8.998 ( 0.000 -3.502 6.913) 7.749 8.998 ( 0.000 3.502 6.913) 7.749 10.973 ( 0.000 -16.214 -5.163) 17.016 10.973 ( 0.000 16.214 -5.163) 17.016 11.211 ( 0.000 -14.231 -5.458) 15.242 11.211 ( 0.000 14.231 -5.458) 15.242 11.557 ( 0.000 -15.559 -13.462) 20.575 11.557 ( 0.000 15.559 -13.462) 20.575 11.841 ( 0.000 -16.552 -14.809) 22.209 11.841 ( 0.000 16.552 -14.809) 22.209 12.573 ( 0.000 -15.530 4.364) 16.131 12.573 ( 0.000 15.530 4.364) 16.131 12.694 ( 0.000 -14.837 1.797) 14.946 12.694 ( 0.000 14.837 1.797) 14.946 13.182 ( 0.000 -4.352 -25.079) 25.453 13.182 ( 0.000 4.352 -25.079) 25.453 13.324 ( 0.000 -1.402 -17.973) 18.028 13.324 ( 0.000 1.402 -17.973) 18.028 14.465 ( 0.000 -0.326 3.293) 3.310 14.465 ( 0.000 0.326 3.293) 3.310 14.595 ( 0.000 -0.192 2.715) 2.722 14.595 ( 0.000 0.192 2.715) 2.722 16.906 ( 0.000 -18.543 22.610) 29.241 16.906 ( 0.000 18.543 22.610) 29.241 17.118 ( 0.000 -13.761 24.004) 27.669 17.118 ( 0.000 13.761 24.004) 27.669 20.670 ( 0.000 -25.634 -9.065) 27.190 20.670 ( 0.000 25.634 -9.065) 27.190 20.877 ( 0.000 -24.866 -10.916) 27.156 20.877 ( 0.000 24.866 -10.916) 27.156 22.688 ( 0.000 -13.310 -2.676) 13.576 22.688 ( 0.000 13.310 -2.676) 13.576 22.946 ( 0.000 -14.806 -3.147) 15.136 22.946 ( 0.000 14.806 -3.147) 15.136 28.975 ( 0.000 -1.483 2.020) 2.506 28.975 ( 0.000 1.483 2.020) 2.506 29.031 ( 0.000 -0.193 2.150) 2.158 29.031 ( 0.000 0.193 2.150) 2.158 29.690 ( 0.000 -10.891 10.788) 15.330 29.690 ( 0.000 10.891 10.788) 15.330 29.743 ( 0.000 -10.355 10.986) 15.098 29.743 ( 0.000 10.355 10.986) 15.098 30.286 ( 0.000 -7.408 7.603) 10.616 30.286 ( 0.000 7.408 7.603) 10.616 30.732 ( 0.000 -1.687 1.573) 2.307 30.732 ( 0.000 1.687 1.573) 2.307 31.470 ( 0.000 -1.345 -4.920) 5.100 31.470 ( 0.000 1.345 -4.920) 5.100 31.551 ( 0.000 -1.371 -5.073) 5.255 31.551 ( 0.000 1.371 -5.073) 5.255 32.456 ( 0.000 -8.739 -8.711) 12.339 32.456 ( 0.000 8.739 -8.711) 12.339 32.869 ( 0.000 -13.703 -16.915) 21.769 32.869 ( 0.000 13.703 -16.915) 21.769 ======================= Grid point 87 (35/72) ======================= q-point: ( 0.25 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 1.662 -7.652 0.285) 7.836 1.699 ( 1.662 7.652 0.285) 7.836 1.862 ( -2.937 -6.755 4.388) 8.574 1.862 ( -2.937 6.755 4.388) 8.574 2.236 ( -1.596 -3.741 9.027) 9.901 2.236 ( -1.596 3.741 9.027) 9.901 2.342 ( -9.764 -5.313 1.696) 11.244 2.342 ( -9.764 5.313 1.696) 11.244 2.593 ( 8.890 -1.472 5.587) 10.602 2.593 ( 8.890 1.472 5.587) 10.602 2.885 ( -0.032 -3.517 9.649) 10.270 2.885 ( -0.032 3.517 9.649) 10.270 2.964 ( 7.236 -6.247 -1.193) 9.633 2.964 ( 7.236 6.247 -1.193) 9.633 3.330 ( -6.747 -5.233 11.851) 14.607 3.330 ( -6.747 5.233 11.851) 14.607 3.768 ( -0.693 -10.133 9.263) 13.746 3.768 ( -0.693 10.133 9.263) 13.746 3.919 ( -5.189 -4.757 14.251) 15.895 3.919 ( -5.189 4.757 14.251) 15.895 4.137 ( 5.335 -8.987 8.905) 13.731 4.137 ( 5.335 8.987 8.905) 13.731 4.212 ( 1.687 -12.184 2.466) 12.545 4.212 ( 1.687 12.184 2.466) 12.545 4.908 ( 3.260 -26.513 1.692) 26.767 4.908 ( 3.260 26.513 1.692) 26.767 5.068 ( -3.203 -21.788 0.814) 22.037 5.068 ( -3.203 21.788 0.814) 22.037 5.968 ( 2.890 -2.988 9.465) 10.337 5.968 ( 2.890 2.988 9.465) 10.337 6.037 ( -0.163 -5.490 8.909) 10.466 6.037 ( -0.163 5.490 8.909) 10.466 7.569 ( 3.546 -11.021 3.927) 12.226 7.569 ( 3.546 11.021 3.927) 12.226 7.813 ( -7.407 -14.160 -0.238) 15.981 7.813 ( -7.407 14.160 -0.238) 15.981 8.275 ( 2.456 -14.976 -1.074) 15.214 8.275 ( 2.456 14.976 -1.074) 15.214 8.371 ( -2.201 -12.019 2.395) 12.452 8.371 ( -2.201 12.019 2.395) 12.452 8.809 ( 4.342 -1.974 1.843) 5.113 8.809 ( 4.342 1.974 1.843) 5.113 8.970 ( -2.929 -2.928 6.097) 7.371 8.970 ( -2.929 2.928 6.097) 7.371 11.001 ( 2.913 -16.045 -4.967) 17.047 11.001 ( 2.913 16.045 -4.967) 17.047 11.163 ( -4.409 -14.678 -5.139) 16.165 11.163 ( -4.409 14.678 -5.139) 16.165 11.613 ( 5.264 -15.970 -13.863) 21.793 11.613 ( 5.264 15.970 -13.863) 21.793 11.808 ( -3.469 -16.485 -14.797) 22.422 11.808 ( -3.469 16.485 -14.797) 22.422 12.593 ( 2.061 -15.338 4.227) 16.043 12.593 ( 2.061 15.338 4.227) 16.043 12.679 ( -1.544 -14.912 2.403) 15.183 12.679 ( -1.544 14.912 2.403) 15.183 13.196 ( 1.563 -3.840 -24.227) 24.580 13.196 ( 1.563 3.840 -24.227) 24.580 13.296 ( -2.749 -0.290 -19.152) 19.350 13.296 ( -2.749 0.290 -19.152) 19.350 14.486 ( 2.095 -0.443 3.192) 3.843 14.486 ( 2.095 0.443 3.192) 3.843 14.577 ( -1.823 -0.606 2.786) 3.385 14.577 ( -1.823 0.606 2.786) 3.385 16.929 ( 2.533 -18.244 22.809) 29.318 16.929 ( 2.533 18.244 22.809) 29.318 17.078 ( -3.915 -14.994 23.809) 28.408 17.078 ( -3.915 14.994 23.809) 28.408 20.702 ( 3.234 -25.269 -9.342) 27.134 20.702 ( 3.234 25.269 -9.342) 27.134 20.848 ( -3.019 -24.784 -10.632) 27.137 20.848 ( -3.019 24.784 -10.632) 27.137 22.732 ( 4.354 -13.887 -2.811) 14.823 22.732 ( 4.354 13.887 -2.811) 14.823 22.913 ( -3.414 -14.867 -3.131) 15.571 22.913 ( -3.414 14.867 -3.131) 15.571 28.982 ( 0.741 -1.302 2.115) 2.592 28.982 ( 0.741 1.302 2.115) 2.592 29.022 ( -0.921 -0.125 2.205) 2.392 29.022 ( -0.921 0.125 2.205) 2.392 29.694 ( 0.433 -10.534 10.815) 15.103 29.694 ( 0.433 10.534 10.815) 15.103 29.731 ( -1.187 -10.007 10.868) 14.821 29.731 ( -1.187 10.007 10.868) 14.821 30.340 ( 5.646 -6.183 7.510) 11.247 30.340 ( 5.646 6.183 7.510) 11.247 30.648 ( -8.076 -0.975 3.678) 8.928 30.648 ( -8.076 0.975 3.678) 8.928 31.486 ( 1.499 -1.223 -5.416) 5.751 31.486 ( 1.499 1.223 -5.416) 5.751 31.540 ( -1.062 -1.297 -5.357) 5.613 31.540 ( -1.062 1.297 -5.357) 5.613 32.536 ( 7.714 -9.864 -10.578) 16.392 32.536 ( 7.714 9.864 -10.578) 16.392 32.823 ( -4.903 -13.321 -16.175) 21.520 32.823 ( -4.903 13.321 -16.175) 21.520 ======================= Grid point 89 (36/72) ======================= q-point: (-0.50 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -5.808 -9.036 -1.724) 10.879 1.773 ( 5.804 -9.035 -1.724) 10.876 1.773 ( -5.804 9.035 -1.724) 10.876 1.773 ( 5.808 9.036 -1.724) 10.879 2.230 ( -1.551 -12.693 7.301) 14.724 2.230 ( 1.366 -12.687 7.301) 14.701 2.230 ( -1.366 12.687 7.301) 14.701 2.230 ( 1.551 12.693 7.301) 14.724 2.772 ( -8.900 -2.840 8.120) 12.377 2.772 ( -7.289 1.242 8.120) 10.981 2.772 ( 7.289 -1.242 8.120) 10.981 2.772 ( 8.900 2.840 8.120) 12.377 3.159 ( -10.675 -4.553 5.251) 12.737 3.159 ( -6.216 1.379 5.251) 8.253 3.159 ( 6.216 -1.379 5.251) 8.253 3.159 ( 10.675 4.553 5.251) 12.737 3.816 ( -4.818 -5.940 12.171) 14.375 3.816 ( 3.705 -5.737 12.171) 13.956 3.816 ( -3.705 5.737 12.171) 13.956 3.816 ( 4.818 5.940 12.171) 14.375 4.210 ( -2.111 -9.970 6.503) 12.089 4.210 ( 2.062 -9.967 6.503) 12.078 4.210 ( -2.062 9.967 6.503) 12.078 4.210 ( 2.111 9.970 6.503) 12.089 4.989 ( -4.916 -22.825 0.614) 23.356 4.989 ( 4.915 -22.825 0.614) 23.356 4.989 ( -4.915 22.825 0.614) 23.356 4.989 ( 4.916 22.825 0.614) 23.356 6.019 ( -1.588 -5.182 9.752) 11.157 6.019 ( 1.183 -5.155 9.752) 11.094 6.019 ( -1.183 5.155 9.752) 11.094 6.019 ( 1.588 5.182 9.752) 11.157 7.669 ( -7.122 -13.176 0.953) 15.008 7.669 ( 7.054 -13.167 0.953) 14.968 7.669 ( -7.054 13.167 0.953) 14.968 7.669 ( 7.122 13.176 0.953) 15.008 8.324 ( -2.684 -14.183 1.130) 14.479 8.324 ( 2.682 -14.183 1.130) 14.478 8.324 ( -2.682 14.183 1.130) 14.478 8.324 ( 2.684 14.183 1.130) 14.479 8.898 ( -3.339 -4.739 4.110) 7.106 8.898 ( -0.133 -4.435 4.110) 6.048 8.898 ( 0.133 4.435 4.110) 6.048 8.898 ( 3.339 4.739 4.110) 7.106 11.074 ( -4.414 -16.979 -4.795) 18.187 11.074 ( 4.176 -16.964 -4.795) 18.116 11.074 ( -4.176 16.964 -4.795) 18.116 11.074 ( 4.414 16.979 -4.795) 18.187 11.720 ( -5.675 -16.476 -14.529) 22.688 11.720 ( 5.639 -16.473 -14.529) 22.676 11.720 ( -5.639 16.473 -14.529) 22.676 11.720 ( 5.675 16.476 -14.529) 22.688 12.639 ( -2.580 -15.218 3.560) 15.841 12.639 ( 2.572 -15.218 3.560) 15.839 12.639 ( -2.572 15.218 3.560) 15.839 12.639 ( 2.580 15.218 3.560) 15.841 13.239 ( -2.604 -2.921 -21.863) 22.211 13.239 ( 0.933 -2.656 -21.863) 22.044 13.239 ( -0.933 2.656 -21.863) 22.044 13.239 ( 2.604 2.921 -21.863) 22.211 14.533 ( -2.096 -1.715 2.974) 4.022 14.533 ( -0.922 -1.433 2.974) 3.428 14.533 ( 0.922 1.433 2.974) 3.428 14.533 ( 2.096 1.715 2.974) 4.022 16.996 ( -4.389 -17.314 23.308) 29.365 16.996 ( 4.355 -17.312 23.308) 29.359 16.996 ( -4.355 17.312 23.308) 29.359 16.996 ( 4.389 17.314 23.308) 29.365 20.776 ( -4.347 -24.902 -9.983) 27.178 20.776 ( 4.341 -24.901 -9.983) 27.177 20.776 ( -4.341 24.901 -9.983) 27.177 20.776 ( 4.347 24.902 -9.983) 27.178 22.828 ( -5.377 -14.864 -3.028) 16.094 22.828 ( 5.325 -14.860 -3.028) 16.073 22.828 ( -5.325 14.860 -3.028) 16.073 22.828 ( 5.377 14.864 -3.028) 16.094 29.001 ( -1.100 -0.933 2.236) 2.661 29.001 ( 0.343 -0.772 2.236) 2.390 29.001 ( -0.343 0.772 2.236) 2.390 29.001 ( 1.100 0.933 2.236) 2.661 29.708 ( -1.080 -9.954 10.805) 14.731 29.708 ( 1.080 -9.954 10.805) 14.731 29.708 ( -1.080 9.954 10.805) 14.731 29.708 ( 1.080 9.954 10.805) 14.731 30.480 ( -9.009 -3.627 6.461) 11.665 30.480 ( -7.643 2.733 6.461) 10.374 30.480 ( 7.643 -2.733 6.461) 10.374 30.480 ( 9.009 3.627 6.461) 11.665 31.516 ( -1.494 -1.264 -5.688) 6.015 31.516 ( 0.898 -1.114 -5.688) 5.865 31.516 ( -0.898 1.114 -5.688) 5.865 31.516 ( 1.494 1.264 -5.688) 6.015 32.695 ( -8.477 -12.015 -13.901) 20.235 32.695 ( 8.441 -12.008 -13.901) 20.216 32.695 ( -8.441 12.008 -13.901) 20.216 32.695 ( 8.477 12.015 -13.901) 20.235 ======================= Grid point 105 (37/72) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 0.000 0.000 22.357) 22.357 1.613 ( 0.000 0.000 27.687) 27.687 1.772 ( 0.000 0.000 -2.511) 2.511 2.088 ( 0.000 0.000 6.568) 6.568 2.147 ( 0.000 0.000 3.529) 3.529 2.445 ( 0.000 0.000 12.425) 12.425 2.482 ( 0.000 0.000 7.357) 7.357 2.521 ( 0.000 0.000 10.987) 10.987 2.846 ( 0.000 0.000 -0.833) 0.833 2.859 ( 0.000 0.000 -4.825) 4.825 2.951 ( 0.000 0.000 -1.163) 1.163 3.069 ( 0.000 0.000 -5.300) 5.300 3.233 ( 0.000 0.000 9.638) 9.638 3.442 ( 0.000 0.000 -0.807) 0.807 3.516 ( 0.000 0.000 4.488) 4.488 3.584 ( 0.000 0.000 8.937) 8.937 3.683 ( 0.000 0.000 -1.805) 1.805 3.704 ( 0.000 0.000 26.005) 26.005 3.832 ( 0.000 0.000 -5.600) 5.600 3.928 ( 0.000 0.000 -5.101) 5.101 3.951 ( 0.000 0.000 15.896) 15.896 4.193 ( 0.000 0.000 5.364) 5.364 4.512 ( 0.000 0.000 10.771) 10.771 4.593 ( 0.000 0.000 -4.524) 4.524 4.605 ( 0.000 0.000 17.456) 17.456 5.120 ( 0.000 0.000 -9.950) 9.950 5.154 ( 0.000 0.000 -0.217) 0.217 5.299 ( 0.000 0.000 -10.983) 10.983 6.066 ( 0.000 0.000 24.275) 24.275 6.288 ( 0.000 0.000 33.262) 33.262 6.376 ( 0.000 0.000 13.898) 13.898 6.562 ( 0.000 0.000 24.193) 24.193 7.137 ( 0.000 0.000 5.729) 5.729 7.471 ( 0.000 0.000 -0.640) 0.640 7.597 ( 0.000 0.000 10.169) 10.169 7.704 ( 0.000 0.000 8.318) 8.318 8.207 ( 0.000 0.000 -5.557) 5.557 8.816 ( 0.000 0.000 -4.208) 4.208 9.040 ( 0.000 0.000 -10.340) 10.340 9.050 ( 0.000 0.000 -1.380) 1.380 9.103 ( 0.000 0.000 -9.689) 9.689 9.338 ( 0.000 0.000 5.459) 5.459 9.366 ( 0.000 0.000 7.651) 7.651 9.576 ( 0.000 0.000 -1.186) 1.186 9.796 ( 0.000 0.000 1.961) 1.961 10.226 ( 0.000 0.000 0.437) 0.437 10.487 ( 0.000 0.000 -8.985) 8.985 10.989 ( 0.000 0.000 -13.224) 13.224 11.176 ( 0.000 0.000 1.474) 1.474 11.265 ( 0.000 0.000 2.740) 2.740 11.415 ( 0.000 0.000 -29.730) 29.730 11.474 ( 0.000 0.000 -29.005) 29.005 11.714 ( 0.000 0.000 -15.576) 15.576 12.034 ( 0.000 0.000 -3.270) 3.270 12.236 ( 0.000 0.000 -20.871) 20.871 12.596 ( 0.000 0.000 -14.272) 14.272 13.261 ( 0.000 0.000 3.467) 3.467 13.276 ( 0.000 0.000 2.366) 2.366 13.690 ( 0.000 0.000 10.157) 10.157 14.104 ( 0.000 0.000 -3.238) 3.238 14.117 ( 0.000 0.000 -3.232) 3.232 14.125 ( 0.000 0.000 -3.016) 3.016 14.302 ( 0.000 0.000 -7.617) 7.617 14.511 ( 0.000 0.000 -11.694) 11.694 16.906 ( 0.000 0.000 31.722) 31.722 17.286 ( 0.000 0.000 25.495) 25.495 18.313 ( 0.000 0.000 30.440) 30.440 18.352 ( 0.000 0.000 31.026) 31.026 19.242 ( 0.000 0.000 -16.029) 16.029 19.356 ( 0.000 0.000 -18.108) 18.108 21.485 ( 0.000 0.000 -22.231) 22.231 21.491 ( 0.000 0.000 -22.336) 22.336 22.209 ( 0.000 0.000 5.880) 5.880 22.424 ( 0.000 0.000 3.749) 3.749 23.180 ( 0.000 0.000 -3.841) 3.841 23.517 ( 0.000 0.000 -7.384) 7.384 28.839 ( 0.000 0.000 7.533) 7.533 28.909 ( 0.000 0.000 6.097) 6.097 28.995 ( 0.000 0.000 2.266) 2.266 29.006 ( 0.000 0.000 1.897) 1.897 29.644 ( 0.000 0.000 7.453) 7.453 29.706 ( 0.000 0.000 8.847) 8.847 30.160 ( 0.000 0.000 20.886) 20.886 30.352 ( 0.000 0.000 1.021) 1.021 30.385 ( 0.000 0.000 6.991) 6.991 30.551 ( 0.000 0.000 -2.575) 2.575 30.607 ( 0.000 0.000 11.569) 11.569 30.948 ( 0.000 0.000 0.019) 0.019 31.545 ( 0.000 0.000 -4.052) 4.052 31.564 ( 0.000 0.000 -0.148) 0.148 31.634 ( 0.000 0.000 0.178) 0.178 31.669 ( 0.000 0.000 -6.689) 6.689 31.887 ( 0.000 0.000 -1.709) 1.709 32.007 ( 0.000 0.000 -11.780) 11.780 32.070 ( 0.000 0.000 -6.569) 6.569 32.698 ( 0.000 0.000 -37.617) 37.617 ======================= Grid point 106 (38/72) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -7.519 0.000 21.101) 22.400 1.526 ( 9.531 0.000 20.509) 22.616 1.641 ( -11.579 0.000 0.784) 11.605 2.005 ( -12.545 0.000 9.270) 15.598 2.302 ( 16.742 0.000 6.439) 17.938 2.450 ( 0.671 0.000 12.519) 12.537 2.508 ( -1.182 0.000 11.976) 12.034 2.585 ( 9.145 0.000 2.840) 9.576 2.770 ( -6.398 0.000 -1.855) 6.661 2.870 ( 1.373 0.000 0.281) 1.401 2.981 ( -8.807 0.000 -3.387) 9.436 2.994 ( 0.554 0.000 0.104) 0.563 3.299 ( 6.286 0.000 9.444) 11.345 3.348 ( -2.503 0.000 2.172) 3.314 3.518 ( -3.951 0.000 0.124) 3.953 3.542 ( -4.495 0.000 8.745) 9.832 3.694 ( 0.014 0.000 21.280) 21.280 3.794 ( 9.311 0.000 -5.087) 10.610 3.812 ( -5.589 0.000 6.665) 8.699 3.881 ( 3.592 0.000 -5.196) 6.317 4.095 ( 7.668 0.000 7.617) 10.809 4.210 ( 1.021 0.000 6.194) 6.277 4.439 ( -6.696 0.000 11.457) 13.270 4.462 ( -4.628 0.000 12.869) 13.676 4.755 ( 8.497 0.000 2.675) 8.909 5.102 ( -6.127 0.000 -1.133) 6.231 5.148 ( 2.908 0.000 -10.880) 11.262 5.277 ( -2.402 0.000 -11.527) 11.774 6.100 ( 3.688 0.000 22.972) 23.266 6.318 ( -5.726 0.000 15.476) 16.501 6.319 ( 3.423 0.000 31.624) 31.808 6.508 ( -4.928 0.000 25.398) 25.872 7.236 ( 9.073 0.000 6.259) 11.022 7.508 ( 3.721 0.000 0.851) 3.817 7.547 ( -5.203 0.000 9.202) 10.571 7.671 ( -3.350 0.000 7.149) 7.895 8.271 ( 6.763 0.000 -4.967) 8.392 8.670 ( -11.975 0.000 -3.400) 12.448 9.042 ( 0.333 0.000 -9.786) 9.791 9.087 ( -1.514 0.000 -9.763) 9.879 9.142 ( 6.623 0.000 -1.596) 6.813 9.332 ( -3.320 0.000 4.876) 5.899 9.383 ( 4.350 0.000 4.164) 6.021 9.549 ( -2.908 0.000 -0.336) 2.927 9.857 ( 6.030 0.000 2.852) 6.670 10.137 ( -7.315 0.000 0.700) 7.348 10.609 ( 10.316 0.000 -8.954) 13.660 10.942 ( -5.128 0.000 -12.388) 13.408 11.189 ( 1.358 0.000 1.553) 2.063 11.252 ( -1.326 0.000 2.384) 2.728 11.424 ( 0.916 0.000 -29.507) 29.521 11.466 ( -0.877 0.000 -29.058) 29.071 11.739 ( 2.769 0.000 -14.869) 15.124 11.939 ( -7.227 0.000 -8.625) 11.252 12.338 ( 7.917 0.000 -16.573) 18.368 12.567 ( -3.228 0.000 -14.489) 14.844 13.262 ( 0.194 0.000 3.308) 3.314 13.273 ( -0.264 0.000 2.530) 2.543 13.730 ( 4.294 0.000 9.376) 10.312 14.017 ( -9.027 0.000 1.099) 9.093 14.106 ( 0.232 0.000 -3.236) 3.244 14.115 ( -0.170 0.000 -3.232) 3.236 14.364 ( 4.596 0.000 -9.616) 10.658 14.493 ( -1.931 0.000 -11.607) 11.766 16.935 ( 3.364 0.000 31.796) 31.973 17.194 ( -8.471 0.000 28.198) 29.443 18.319 ( 0.575 0.000 30.525) 30.531 18.346 ( -0.589 0.000 30.940) 30.945 19.263 ( 2.084 0.000 -16.792) 16.921 19.342 ( -1.421 0.000 -18.067) 18.123 21.486 ( 0.084 0.000 -22.248) 22.248 21.490 ( -0.073 0.000 -22.321) 22.321 22.237 ( 2.932 0.000 5.501) 6.234 22.389 ( -3.515 0.000 4.029) 5.346 23.253 ( 6.959 0.000 -5.278) 8.735 23.486 ( -3.413 0.000 -7.386) 8.136 28.849 ( 1.011 0.000 7.345) 7.415 28.898 ( -1.113 0.000 6.333) 6.430 28.997 ( 0.209 0.000 2.201) 2.211 29.005 ( -0.135 0.000 1.942) 1.947 29.651 ( 0.775 0.000 7.613) 7.652 29.694 ( -1.112 0.000 8.586) 8.657 30.192 ( 3.351 0.000 19.142) 19.433 30.353 ( -3.319 0.000 8.803) 9.408 30.383 ( 3.103 0.000 0.624) 3.165 30.523 ( -2.885 0.000 -1.920) 3.465 30.634 ( 3.025 0.000 11.958) 12.335 30.865 ( -7.718 0.000 6.415) 10.036 31.535 ( -0.861 0.000 -4.276) 4.362 31.570 ( 0.637 0.000 -0.067) 0.640 31.574 ( -4.740 0.000 -4.524) 6.553 31.616 ( -1.554 0.000 0.230) 1.571 31.922 ( 3.342 0.000 -2.623) 4.249 32.049 ( -2.256 0.000 -5.979) 6.391 32.222 ( 16.214 0.000 -21.962) 27.299 32.648 ( -5.493 0.000 -36.397) 36.809 ======================= Grid point 107 (39/72) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -5.373 0.000 10.314) 11.629 1.459 ( 5.373 0.000 10.314) 11.629 1.751 ( -13.887 0.000 15.793) 21.030 1.751 ( 13.887 0.000 15.793) 21.030 2.469 ( -1.317 0.000 11.678) 11.752 2.469 ( 1.317 0.000 11.678) 11.752 2.600 ( -12.411 0.000 3.187) 12.813 2.600 ( 12.411 0.000 3.187) 12.813 2.782 ( -11.558 0.000 -0.662) 11.577 2.782 ( 11.558 0.000 -0.662) 11.577 2.929 ( -4.980 0.000 1.723) 5.270 2.929 ( 4.980 0.000 1.723) 5.270 3.408 ( -6.711 0.000 0.580) 6.736 3.408 ( 6.711 0.000 0.580) 6.736 3.430 ( -7.145 0.000 9.148) 11.608 3.430 ( 7.145 0.000 9.148) 11.608 3.727 ( -3.443 0.000 13.112) 13.556 3.727 ( 3.443 0.000 13.112) 13.556 3.907 ( -1.877 0.000 -6.558) 6.821 3.907 ( 1.877 0.000 -6.558) 6.821 4.197 ( -3.033 0.000 7.496) 8.086 4.197 ( 3.033 0.000 7.496) 8.086 4.391 ( -1.542 0.000 14.552) 14.634 4.391 ( 1.542 0.000 14.552) 14.634 4.936 ( -10.681 0.000 -0.367) 10.688 4.936 ( 10.681 0.000 -0.367) 10.688 5.216 ( -3.919 0.000 -11.988) 12.612 5.216 ( 3.919 0.000 -11.988) 12.612 6.197 ( -6.486 0.000 19.388) 20.445 6.197 ( 6.486 0.000 19.388) 20.445 6.407 ( -5.577 0.000 28.303) 28.847 6.407 ( 5.577 0.000 28.303) 28.847 7.413 ( -9.045 0.000 7.472) 11.732 7.413 ( 9.045 0.000 7.472) 11.732 7.592 ( -4.869 0.000 4.149) 6.397 7.592 ( 4.869 0.000 4.149) 6.397 8.444 ( -11.482 0.000 -3.855) 12.112 8.444 ( 11.482 0.000 -3.855) 12.112 9.058 ( -1.375 0.000 -9.605) 9.703 9.058 ( 1.375 0.000 -9.605) 9.703 9.253 ( -5.202 0.000 0.675) 5.246 9.253 ( 5.202 0.000 0.675) 5.246 9.474 ( -4.914 0.000 1.762) 5.220 9.474 ( 4.914 0.000 1.762) 5.220 9.992 ( -8.027 0.000 2.462) 8.396 9.992 ( 8.027 0.000 2.462) 8.396 10.803 ( -9.626 0.000 -10.501) 14.245 10.803 ( 9.626 0.000 -10.501) 14.245 11.221 ( -1.886 0.000 1.851) 2.642 11.221 ( 1.886 0.000 1.851) 2.642 11.445 ( -1.261 0.000 -29.218) 29.245 11.445 ( 1.261 0.000 -29.218) 29.245 11.816 ( -5.593 0.000 -12.541) 13.732 11.816 ( 5.593 0.000 -12.541) 13.732 12.476 ( -6.482 0.000 -15.042) 16.379 12.476 ( 6.482 0.000 -15.042) 16.379 13.267 ( -0.325 0.000 2.921) 2.939 13.267 ( 0.325 0.000 2.921) 2.939 13.848 ( -8.312 0.000 6.450) 10.521 13.848 ( 8.312 0.000 6.450) 10.521 14.111 ( -0.284 0.000 -3.233) 3.245 14.111 ( 0.284 0.000 -3.233) 3.245 14.441 ( -3.584 0.000 -11.109) 11.673 14.441 ( 3.584 0.000 -11.109) 11.673 17.035 ( -7.475 0.000 31.194) 32.077 17.035 ( 7.475 0.000 31.194) 32.077 18.333 ( -0.823 0.000 30.732) 30.743 18.333 ( 0.823 0.000 30.732) 30.743 19.306 ( -2.316 0.000 -17.736) 17.887 19.306 ( 2.316 0.000 -17.736) 17.887 21.488 ( -0.111 0.000 -22.285) 22.286 21.488 ( 0.111 0.000 -22.285) 22.286 22.310 ( -4.592 0.000 4.707) 6.576 22.310 ( 4.592 0.000 4.707) 6.576 23.390 ( -6.828 0.000 -6.961) 9.750 23.390 ( 6.828 0.000 -6.961) 9.750 28.873 ( -1.483 0.000 6.863) 7.021 28.873 ( 1.483 0.000 6.863) 7.021 29.001 ( -0.226 0.000 2.061) 2.074 29.001 ( 0.226 0.000 2.061) 2.074 29.671 ( -1.291 0.000 8.051) 8.154 29.671 ( 1.291 0.000 8.051) 8.154 30.273 ( -4.925 0.000 14.093) 14.928 30.273 ( 4.925 0.000 14.093) 14.928 30.454 ( -4.185 0.000 -0.522) 4.218 30.454 ( 4.185 0.000 -0.522) 4.218 30.722 ( -6.605 0.000 11.958) 13.661 30.722 ( 6.605 0.000 11.958) 13.661 31.530 ( -0.738 0.000 -4.706) 4.764 31.530 ( 0.738 0.000 -4.706) 4.764 31.588 ( -1.317 0.000 0.123) 1.323 31.588 ( 1.317 0.000 0.123) 1.323 31.991 ( -3.720 0.000 -4.437) 5.790 31.991 ( 3.720 0.000 -4.437) 5.790 32.489 ( -11.777 0.000 -31.836) 33.944 32.489 ( 11.777 0.000 -31.836) 33.944 ======================= Grid point 110 (40/72) ======================= q-point: ( 0.00 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.000 2.124 10.791) 10.998 1.682 ( 0.000 5.750 23.296) 23.995 1.791 ( 0.000 1.196 -1.068) 1.604 2.062 ( 0.000 -4.515 3.661) 5.813 2.093 ( 0.000 -2.088 4.826) 5.258 2.290 ( 0.000 -4.734 5.110) 6.966 2.571 ( 0.000 1.553 10.349) 10.465 2.696 ( 0.000 8.648 5.099) 10.039 2.752 ( 0.000 -7.686 -3.673) 8.519 2.799 ( 0.000 -5.096 3.421) 6.138 2.975 ( 0.000 2.882 -2.719) 3.962 3.032 ( 0.000 -4.213 -7.041) 8.206 3.256 ( 0.000 -3.145 0.968) 3.291 3.301 ( 0.000 -4.071 1.002) 4.192 3.312 ( 0.000 -14.801 7.553) 16.617 3.511 ( 0.000 -10.605 3.249) 11.092 3.689 ( 0.000 9.330 7.999) 12.290 3.816 ( 0.000 8.199 5.859) 10.077 3.884 ( 0.000 11.317 18.749) 21.900 4.038 ( 0.000 5.105 -2.884) 5.864 4.215 ( 0.000 10.633 13.362) 17.077 4.287 ( 0.000 8.555 9.549) 12.821 4.360 ( 0.000 -14.761 -6.973) 16.325 4.510 ( 0.000 0.329 19.368) 19.371 4.620 ( 0.000 4.230 10.286) 11.122 4.835 ( 0.000 -15.512 -5.698) 16.525 5.411 ( 0.000 8.872 -1.820) 9.056 5.501 ( 0.000 9.715 -5.220) 11.029 6.115 ( 0.000 4.184 18.690) 19.152 6.234 ( 0.000 -4.196 31.366) 31.645 6.415 ( 0.000 2.049 11.969) 12.144 6.472 ( 0.000 -6.274 22.863) 23.708 7.097 ( 0.000 0.399 6.664) 6.676 7.518 ( 0.000 -4.687 9.834) 10.894 7.568 ( 0.000 6.176 2.100) 6.523 7.742 ( 0.000 5.369 8.552) 10.097 8.200 ( 0.000 0.675 -3.943) 4.001 8.519 ( 0.000 -19.251 -2.064) 19.362 8.900 ( 0.000 -10.490 -2.730) 10.840 8.919 ( 0.000 -9.061 0.104) 9.062 9.033 ( 0.000 -8.059 -8.507) 11.718 9.269 ( 0.000 -12.810 2.527) 13.057 9.392 ( 0.000 -1.124 5.033) 5.157 9.411 ( 0.000 -7.406 -1.691) 7.597 10.050 ( 0.000 18.614 -0.340) 18.617 10.449 ( 0.000 15.518 -2.881) 15.783 10.563 ( 0.000 7.110 -11.773) 13.753 10.956 ( 0.000 1.693 -15.295) 15.389 11.243 ( 0.000 -1.341 -6.646) 6.780 11.346 ( 0.000 7.799 1.944) 8.037 11.516 ( 0.000 6.470 -26.323) 27.106 11.585 ( 0.000 8.999 -24.678) 26.268 11.870 ( 0.000 14.369 -7.660) 16.283 12.134 ( 0.000 9.698 -1.585) 9.826 12.221 ( 0.000 0.167 -23.122) 23.123 12.527 ( 0.000 -5.204 -14.542) 15.445 13.190 ( 0.000 -6.694 -0.503) 6.713 13.219 ( 0.000 -5.166 -1.591) 5.406 13.510 ( 0.000 -13.217 6.469) 14.716 13.795 ( 0.000 -15.798 -2.873) 16.057 14.280 ( 0.000 10.738 -0.871) 10.774 14.338 ( 0.000 3.222 -5.210) 6.126 14.400 ( 0.000 11.712 -2.854) 12.055 14.518 ( 0.000 0.948 -8.703) 8.754 16.942 ( 0.000 3.665 30.562) 30.781 17.298 ( 0.000 1.576 25.305) 25.354 18.104 ( 0.000 -16.113 24.010) 28.915 18.178 ( 0.000 -12.977 25.109) 28.264 19.488 ( 0.000 19.237 -9.403) 21.412 19.613 ( 0.000 20.596 -11.945) 23.809 21.427 ( 0.000 -7.731 -17.138) 18.801 21.448 ( 0.000 -6.004 -19.125) 20.046 22.168 ( 0.000 -0.237 2.353) 2.365 22.405 ( 0.000 0.294 0.945) 0.990 23.104 ( 0.000 -6.890 -4.411) 8.181 23.420 ( 0.000 -8.707 -7.753) 11.659 28.882 ( 0.000 3.543 6.132) 7.082 28.958 ( 0.000 3.957 4.862) 6.269 29.008 ( 0.000 1.024 2.310) 2.527 29.016 ( 0.000 0.953 1.827) 2.061 29.666 ( 0.000 2.152 8.712) 8.974 29.725 ( 0.000 2.084 10.625) 10.828 30.209 ( 0.000 4.248 17.974) 18.469 30.273 ( 0.000 -6.642 5.224) 8.451 30.337 ( 0.000 -4.439 5.970) 7.440 30.565 ( 0.000 -0.177 5.651) 5.654 30.630 ( 0.000 3.084 3.440) 4.620 30.897 ( 0.000 -3.874 1.429) 4.129 31.474 ( 0.000 -6.380 -3.479) 7.267 31.508 ( 0.000 -3.054 -4.196) 5.190 31.520 ( 0.000 -4.095 -2.857) 4.993 31.698 ( 0.000 -9.046 -3.809) 9.815 31.875 ( 0.000 10.911 -4.023) 11.629 32.146 ( 0.000 7.100 -8.108) 10.777 32.220 ( 0.000 9.482 -11.357) 14.794 32.686 ( 0.000 -1.214 -33.536) 33.558 ======================= Grid point 111 (41/72) ======================= q-point: ( 0.25 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 5.583 1.337 9.704) 11.275 1.572 ( -6.263 4.468 16.069) 17.816 1.721 ( -5.388 5.061 3.242) 8.072 1.954 ( -11.033 -0.896 6.900) 13.044 2.255 ( 14.028 -5.979 3.561) 15.659 2.339 ( 3.441 -6.934 5.385) 9.430 2.518 ( -4.359 -1.279 11.002) 11.903 2.648 ( -4.064 1.811 0.975) 4.555 2.747 ( -1.327 -5.650 0.067) 5.805 2.855 ( 3.431 2.454 3.927) 5.763 2.884 ( -4.000 -3.117 -2.257) 5.551 3.060 ( -0.736 1.496 -2.385) 2.910 3.242 ( 0.438 -3.271 2.117) 3.920 3.294 ( -0.808 -6.015 1.134) 6.174 3.390 ( 5.976 -7.658 6.238) 11.545 3.516 ( -0.042 -9.817 3.947) 10.581 3.724 ( 2.656 6.093 7.164) 9.772 3.804 ( -1.045 6.251 5.234) 8.220 3.913 ( 2.280 10.176 12.148) 16.010 3.991 ( -3.350 7.149 1.545) 8.045 4.249 ( 0.809 3.055 8.226) 8.812 4.279 ( 2.027 9.988 8.768) 13.444 4.366 ( -1.198 -4.581 9.977) 11.044 4.489 ( -9.259 1.770 9.897) 13.668 4.583 ( 8.250 -5.646 8.365) 13.035 4.862 ( -0.792 -12.104 -4.541) 12.952 5.418 ( 0.642 9.472 -2.765) 9.888 5.479 ( -2.117 10.003 -5.224) 11.482 6.152 ( 3.938 4.327 17.629) 18.574 6.267 ( 3.409 -3.729 29.268) 29.701 6.367 ( -4.848 3.207 13.072) 14.306 6.433 ( -3.664 -5.327 24.028) 24.883 7.178 ( 7.668 -1.687 7.195) 10.649 7.465 ( -5.209 -4.153 8.792) 11.031 7.612 ( 3.769 6.538 3.676) 8.394 7.730 ( -1.467 5.977 8.181) 10.237 8.220 ( 2.442 -2.608 -4.050) 5.401 8.436 ( -7.317 -16.338 -2.254) 18.043 8.906 ( 0.290 -10.412 -2.725) 10.767 8.931 ( -0.055 -10.070 -2.907) 10.481 9.079 ( 5.621 -7.722 -4.581) 10.593 9.286 ( 0.923 -11.751 3.026) 12.170 9.346 ( -3.925 -2.451 1.616) 4.902 9.390 ( -2.020 -7.740 -1.250) 8.097 10.104 ( 5.390 17.826 -0.125) 18.623 10.358 ( -6.680 15.095 -3.093) 16.794 10.682 ( 9.059 7.253 -11.206) 16.132 10.933 ( -2.801 2.526 -15.056) 15.521 11.245 ( 0.369 -0.650 -5.729) 5.778 11.315 ( -2.805 5.558 0.354) 6.236 11.532 ( 1.500 7.583 -25.190) 26.349 11.580 ( -0.596 9.208 -24.160) 25.862 11.890 ( 2.224 13.866 -8.166) 16.245 12.047 ( -5.795 10.209 -7.932) 14.168 12.316 ( 6.643 -0.443 -16.665) 17.945 12.504 ( -2.612 -4.612 -14.802) 15.722 13.193 ( 0.326 -6.554 -0.656) 6.595 13.213 ( -0.539 -5.486 -1.423) 5.693 13.542 ( 3.483 -13.440 5.698) 15.008 13.744 ( -5.101 -15.345 -0.819) 16.191 14.286 ( 0.678 10.966 -0.902) 11.024 14.326 ( -1.099 8.240 -2.780) 8.765 14.420 ( 2.004 6.347 -5.614) 8.707 14.504 ( -1.561 1.233 -8.560) 8.788 16.971 ( 3.320 3.644 30.595) 30.990 17.215 ( -7.724 2.338 27.451) 28.613 18.117 ( 1.226 -15.599 24.117) 28.748 18.168 ( -1.029 -13.429 24.921) 28.327 19.509 ( 2.089 19.336 -10.132) 21.929 19.596 ( -1.704 20.334 -11.787) 23.565 21.429 ( 0.275 -7.460 -17.473) 19.001 21.444 ( -0.380 -6.229 -18.868) 19.873 22.202 ( 3.460 -0.065 2.144) 4.071 22.369 ( -3.680 0.299 1.176) 3.875 23.169 ( 6.283 -7.536 -5.585) 11.290 23.389 ( -3.389 -8.698 -7.679) 12.088 28.892 ( 1.080 3.589 5.994) 7.070 28.945 ( -1.224 3.860 5.094) 6.508 29.010 ( 0.176 1.048 2.233) 2.473 29.015 ( -0.076 0.972 1.892) 2.128 29.673 ( 0.774 2.169 8.896) 9.189 29.715 ( -0.994 2.142 10.212) 10.482 30.204 ( 0.325 0.174 14.608) 14.612 30.267 ( -1.485 -6.162 7.960) 10.175 30.386 ( 5.048 -0.326 5.568) 7.523 30.562 ( -1.603 2.149 1.900) 3.286 30.629 ( 1.210 0.407 8.671) 8.765 30.826 ( -6.725 -2.981 6.529) 9.836 31.467 ( -0.453 -5.299 -4.371) 6.884 31.489 ( -1.192 -3.685 -4.490) 5.930 31.535 ( 1.112 -3.358 -2.584) 4.381 31.622 ( -4.466 -3.704 -2.344) 6.258 31.971 ( 6.178 6.541 -5.026) 10.306 32.129 ( -2.208 6.947 -7.361) 10.360 32.319 ( 9.688 5.799 -18.420) 21.605 32.642 ( -4.821 -0.787 -32.235) 32.603 ======================= Grid point 112 (42/72) ======================= q-point: (-0.50 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -1.968 3.748 8.293) 9.311 1.518 ( 1.968 3.748 8.293) 9.311 1.748 ( -9.415 2.792 9.306) 13.530 1.748 ( 9.415 2.792 9.306) 13.530 2.398 ( -2.141 -10.723 5.506) 12.243 2.398 ( 2.141 -10.723 5.506) 12.243 2.530 ( -8.280 -0.728 4.440) 9.424 2.530 ( 8.280 -0.728 4.440) 9.424 2.766 ( -3.964 -2.312 1.131) 4.727 2.766 ( 3.964 -2.312 1.131) 4.727 2.987 ( -6.311 3.825 0.870) 7.431 2.987 ( 6.311 3.825 0.870) 7.431 3.271 ( -1.753 -4.336 1.700) 4.977 3.271 ( 1.753 -4.336 1.700) 4.977 3.485 ( -3.608 -6.808 5.322) 9.364 3.485 ( 3.608 -6.808 5.322) 9.364 3.774 ( -2.510 4.142 4.689) 6.741 3.774 ( 2.510 4.142 4.689) 6.741 3.945 ( -1.579 7.921 6.138) 10.144 3.945 ( 1.579 7.921 6.138) 10.144 4.276 ( -2.463 4.440 11.251) 12.344 4.276 ( 2.463 4.440 11.251) 12.344 4.374 ( -2.909 1.149 11.279) 11.705 4.374 ( 2.909 1.149 11.279) 11.705 4.763 ( -9.182 -9.065 -0.629) 12.918 4.763 ( 9.182 -9.065 -0.629) 12.918 5.439 ( -1.809 10.031 -4.658) 11.206 5.439 ( 1.809 10.031 -4.658) 11.206 6.250 ( -6.202 4.226 15.019) 16.789 6.250 ( 6.202 4.226 15.019) 16.789 6.354 ( -4.599 -3.870 26.642) 27.311 6.354 ( 4.599 -3.870 26.642) 27.311 7.335 ( -8.422 -3.725 7.959) 12.172 7.335 ( 8.422 -3.725 7.959) 12.172 7.684 ( -3.487 7.158 6.161) 10.067 7.684 ( 3.487 7.158 6.161) 10.067 8.301 ( -6.344 -10.078 -3.280) 12.352 8.301 ( 6.344 -10.078 -3.280) 12.352 8.916 ( -0.925 -10.328 -3.612) 10.980 8.916 ( 0.925 -10.328 -3.612) 10.980 9.209 ( -7.292 -6.685 0.178) 9.895 9.209 ( 7.292 -6.685 0.178) 9.895 9.347 ( -2.393 -8.418 -0.652) 8.776 9.347 ( 2.393 -8.418 -0.652) 8.776 10.226 ( -7.300 16.411 -1.024) 17.990 10.226 ( 7.300 16.411 -1.024) 17.990 10.841 ( -7.230 4.935 -13.334) 15.950 10.841 ( 7.230 4.935 -13.334) 15.950 11.266 ( -2.041 1.733 -2.855) 3.914 11.266 ( 2.041 1.733 -2.855) 3.914 11.561 ( -1.454 8.923 -24.066) 25.708 11.561 ( 1.454 8.923 -24.066) 25.708 11.951 ( -4.363 12.432 -8.685) 15.780 11.951 ( 4.363 12.432 -8.685) 15.780 12.430 ( -5.311 -2.926 -15.421) 16.571 12.430 ( 5.311 -2.926 -15.421) 16.571 13.202 ( -0.610 -6.108 -1.033) 6.225 13.202 ( 0.610 -6.108 -1.033) 6.225 13.633 ( -6.072 -14.250 3.093) 15.796 13.633 ( 6.072 -14.250 3.093) 15.796 14.304 ( -1.165 11.008 -1.209) 11.135 14.304 ( 1.165 11.008 -1.209) 11.135 14.464 ( -2.490 2.440 -7.832) 8.573 14.464 ( 2.490 2.440 -7.832) 8.573 17.068 ( -7.102 3.331 29.988) 30.997 17.068 ( 7.102 3.331 29.988) 30.997 18.144 ( -1.528 -14.495 24.491) 28.500 18.144 ( 1.528 -14.495 24.491) 28.500 19.555 ( -2.586 19.763 -11.212) 22.869 19.555 ( 2.586 19.763 -11.212) 22.869 21.436 ( -0.447 -6.823 -18.212) 19.453 21.436 ( 0.447 -6.823 -18.212) 19.453 22.284 ( -5.028 0.200 1.666) 5.301 22.284 ( 5.028 0.200 1.666) 5.301 23.296 ( -6.480 -8.408 -7.128) 12.786 23.296 ( 6.480 -8.408 -7.128) 12.786 28.918 ( -1.601 3.713 5.593) 6.901 28.918 ( 1.601 3.713 5.593) 6.901 29.013 ( -0.144 1.018 2.054) 2.298 29.013 ( 0.144 1.018 2.054) 2.298 29.693 ( -1.242 2.190 9.446) 9.776 29.693 ( 1.242 2.190 9.446) 9.776 30.229 ( -2.117 -3.808 11.063) 11.891 30.229 ( 2.117 -3.808 11.063) 11.891 30.491 ( -5.463 2.771 2.767) 6.722 30.491 ( 5.463 2.771 2.767) 6.722 30.698 ( -5.980 -1.824 11.221) 12.845 30.698 ( 5.980 -1.824 11.221) 12.845 31.470 ( -0.771 -4.123 -5.096) 6.600 31.470 ( 0.771 -4.123 -5.096) 6.600 31.563 ( -2.106 -3.069 -2.152) 4.299 31.563 ( 2.106 -3.069 -2.152) 4.299 32.067 ( -4.326 6.720 -5.959) 9.970 32.067 ( 4.326 6.720 -5.959) 9.970 32.508 ( -9.409 1.101 -27.603) 29.183 32.508 ( 9.409 1.101 -27.603) 29.183 ======================= Grid point 115 (43/72) ======================= q-point: ( 0.00 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 0.000 13.911 -4.250) 14.546 1.759 ( 0.000 -1.476 9.423) 9.538 1.848 ( 0.000 7.027 4.078) 8.125 1.969 ( 0.000 0.290 -1.676) 1.700 2.181 ( 0.000 -6.340 1.004) 6.419 2.188 ( 0.000 10.405 6.889) 12.479 2.486 ( 0.000 -4.473 8.884) 9.946 2.655 ( 0.000 -6.457 8.910) 11.003 2.669 ( 0.000 -2.371 1.041) 2.590 2.763 ( 0.000 -3.404 0.613) 3.459 2.814 ( 0.000 -14.581 -11.772) 18.739 2.991 ( 0.000 -11.243 -0.535) 11.256 3.089 ( 0.000 -0.125 -3.072) 3.074 3.092 ( 0.000 -3.391 5.554) 6.507 3.380 ( 0.000 5.989 -2.970) 6.685 3.426 ( 0.000 0.445 2.650) 2.687 3.795 ( 0.000 -1.250 3.191) 3.427 3.884 ( 0.000 2.002 3.743) 4.245 4.015 ( 0.000 -12.056 -6.098) 13.511 4.156 ( 0.000 9.276 16.309) 18.763 4.235 ( 0.000 11.355 6.265) 12.969 4.410 ( 0.000 4.832 15.647) 16.376 4.482 ( 0.000 -14.060 -0.934) 14.091 4.525 ( 0.000 15.201 22.739) 27.352 4.671 ( 0.000 5.124 18.375) 19.076 4.744 ( 0.000 13.270 7.284) 15.137 5.399 ( 0.000 -11.572 -0.268) 11.575 5.498 ( 0.000 -9.518 4.555) 10.552 6.154 ( 0.000 -2.159 25.257) 25.350 6.180 ( 0.000 0.446 14.576) 14.583 6.373 ( 0.000 -2.181 22.192) 22.299 6.396 ( 0.000 -2.597 15.959) 16.169 7.313 ( 0.000 17.404 4.763) 18.044 7.541 ( 0.000 8.828 4.300) 9.819 7.687 ( 0.000 4.765 5.237) 7.080 7.932 ( 0.000 8.969 4.026) 9.831 8.156 ( 0.000 -11.377 -1.593) 11.488 8.264 ( 0.000 4.151 -1.183) 4.316 8.601 ( 0.000 -17.283 -0.871) 17.305 8.711 ( 0.000 -10.695 1.288) 10.772 8.829 ( 0.000 -7.356 -2.478) 7.762 8.948 ( 0.000 -13.416 0.281) 13.419 9.234 ( 0.000 -8.048 1.912) 8.272 9.277 ( 0.000 -7.987 8.209) 11.453 10.467 ( 0.000 18.151 -6.556) 19.299 10.752 ( 0.000 8.302 -19.626) 21.310 10.753 ( 0.000 11.347 -12.129) 16.610 11.033 ( 0.000 -0.569 -24.083) 24.089 11.216 ( 0.000 3.682 -4.884) 6.117 11.466 ( 0.000 4.390 1.603) 4.674 11.551 ( 0.000 -4.378 -12.429) 13.177 11.737 ( 0.000 1.205 -16.015) 16.060 12.270 ( 0.000 20.254 -0.900) 20.274 12.332 ( 0.000 10.383 -25.685) 27.704 12.448 ( 0.000 18.111 2.575) 18.293 12.476 ( 0.000 3.628 -15.707) 16.120 12.982 ( 0.000 -12.096 -8.676) 14.886 13.052 ( 0.000 -9.550 -12.122) 15.432 13.182 ( 0.000 -16.699 3.346) 17.031 13.417 ( 0.000 -19.081 -3.337) 19.370 14.428 ( 0.000 4.604 -1.098) 4.734 14.469 ( 0.000 5.522 0.279) 5.529 14.561 ( 0.000 2.876 -3.125) 4.247 14.586 ( 0.000 4.963 -1.356) 5.145 17.083 ( 0.000 9.756 26.989) 28.698 17.378 ( 0.000 6.293 23.902) 24.716 17.725 ( 0.000 -17.816 20.997) 27.537 17.868 ( 0.000 -14.651 21.248) 25.809 19.979 ( 0.000 25.043 -4.793) 25.497 20.132 ( 0.000 25.916 -7.683) 27.031 21.082 ( 0.000 -22.490 -6.621) 23.445 21.179 ( 0.000 -18.606 -11.304) 21.771 22.300 ( 0.000 11.473 -5.551) 12.745 22.521 ( 0.000 10.649 -6.059) 12.252 22.893 ( 0.000 -12.253 -5.771) 13.544 23.161 ( 0.000 -14.589 -8.597) 16.934 28.965 ( 0.000 3.586 3.572) 5.062 29.026 ( 0.000 0.451 2.045) 2.094 29.043 ( 0.000 3.045 2.565) 3.981 29.048 ( 0.000 1.656 1.914) 2.531 29.746 ( 0.000 5.448 10.871) 12.160 29.812 ( 0.000 6.179 13.082) 14.468 30.097 ( 0.000 -9.114 8.324) 12.343 30.191 ( 0.000 -8.727 10.436) 13.604 30.326 ( 0.000 6.198 12.909) 14.320 30.540 ( 0.000 -2.278 7.658) 7.990 30.713 ( 0.000 3.779 1.628) 4.115 30.819 ( 0.000 -2.793 2.721) 3.900 31.368 ( 0.000 -3.038 -5.185) 6.009 31.431 ( 0.000 -3.691 -4.999) 6.214 31.438 ( 0.000 -2.476 -6.154) 6.633 31.532 ( 0.000 -6.415 -5.455) 8.421 32.106 ( 0.000 9.912 -5.834) 11.502 32.313 ( 0.000 5.035 -11.483) 12.538 32.361 ( 0.000 5.599 -11.493) 12.785 32.636 ( 0.000 -3.602 -25.262) 25.518 ======================= Grid point 116 (44/72) ======================= q-point: ( 0.25 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -1.898 9.664 -3.621) 10.493 1.651 ( -7.464 2.597 8.729) 11.775 1.818 ( 2.319 3.497 1.850) 4.586 2.067 ( -7.084 0.940 2.875) 7.703 2.112 ( 4.280 -0.787 -0.047) 4.352 2.194 ( -2.267 0.440 5.069) 5.570 2.436 ( 1.017 -2.909 8.598) 9.134 2.617 ( -4.912 -5.848 3.610) 8.447 2.675 ( 0.801 -1.059 0.635) 1.472 2.839 ( 9.043 -5.522 4.754) 11.613 2.870 ( -3.659 0.422 -4.962) 6.180 2.988 ( 5.276 -6.174 -3.308) 8.769 3.117 ( -0.242 -4.461 3.792) 5.860 3.131 ( 6.504 -10.510 0.115) 12.361 3.339 ( -4.601 3.280 -2.746) 6.282 3.393 ( -3.898 -2.859 2.653) 5.514 3.782 ( 0.189 -1.533 1.669) 2.274 3.866 ( -1.957 2.172 3.544) 4.595 4.088 ( 3.881 -10.964 -4.107) 12.335 4.137 ( -2.194 7.527 10.638) 13.215 4.216 ( 2.247 8.385 8.802) 12.362 4.419 ( -3.705 0.680 9.595) 10.308 4.468 ( 1.766 3.107 12.016) 12.536 4.532 ( -0.142 12.472 21.738) 25.062 4.680 ( 1.274 1.063 11.843) 11.959 4.736 ( -0.528 13.553 7.529) 15.513 5.410 ( 1.269 -11.044 1.367) 11.200 5.486 ( -1.521 -9.454 5.665) 11.126 6.198 ( 4.372 -1.629 22.735) 23.208 6.220 ( 3.941 0.403 15.050) 15.563 6.348 ( -2.342 -1.674 22.502) 22.686 6.384 ( -2.094 -1.775 14.811) 15.064 7.326 ( 1.965 14.750 5.020) 15.704 7.497 ( -4.462 8.579 4.750) 10.773 7.737 ( 4.763 3.982 5.755) 8.466 7.919 ( -2.130 8.198 5.130) 9.903 8.122 ( -1.718 -9.498 -2.725) 10.029 8.223 ( -4.035 3.235 -1.252) 5.321 8.632 ( 2.305 -15.195 0.017) 15.369 8.694 ( -1.431 -11.695 0.299) 11.786 8.885 ( 5.955 -7.146 -0.945) 9.350 8.995 ( 3.958 -12.106 0.787) 12.761 9.192 ( -4.133 -8.733 1.612) 9.795 9.227 ( -4.810 -8.291 5.446) 11.025 10.499 ( 3.256 17.218 -7.271) 18.972 10.663 ( -4.613 12.454 -12.213) 18.043 10.864 ( 6.270 6.280 -19.873) 21.765 11.017 ( -1.791 -0.110 -24.144) 24.210 11.235 ( 2.272 4.113 -3.069) 5.613 11.404 ( -5.103 4.432 0.494) 6.777 11.603 ( 4.054 -3.152 -11.541) 12.632 11.723 ( -1.609 0.296 -14.957) 15.046 12.275 ( 0.817 18.923 -5.683) 19.775 12.338 ( -0.507 14.952 -17.023) 22.662 12.436 ( 0.283 11.346 -6.858) 13.261 12.484 ( -0.044 7.845 -10.633) 13.214 12.988 ( 0.688 -11.958 -9.212) 15.110 13.037 ( -1.463 -10.194 -11.598) 15.511 13.209 ( 2.920 -17.018 2.593) 17.460 13.375 ( -4.192 -18.715 -2.042) 19.287 14.446 ( 1.737 4.696 -1.284) 5.169 14.480 ( 0.911 5.830 -0.006) 5.901 14.549 ( -1.023 2.892 -2.749) 4.119 14.573 ( -1.326 4.670 -1.401) 5.053 17.112 ( 3.122 9.662 26.959) 28.808 17.316 ( -5.907 7.357 24.994) 26.715 17.747 ( 2.128 -17.519 20.971) 27.409 17.847 ( -2.215 -15.304 21.183) 26.226 20.003 ( 2.426 25.134 -5.381) 25.818 20.111 ( -2.215 25.768 -7.363) 26.891 21.097 ( 1.541 -21.884 -7.393) 23.150 21.166 ( -1.407 -19.142 -10.674) 21.962 22.333 ( 3.319 11.469 -5.552) 13.167 22.489 ( -3.320 10.881 -5.906) 12.818 22.943 ( 4.920 -12.953 -6.527) 15.316 23.131 ( -3.220 -14.525 -8.414) 17.092 28.976 ( 1.098 3.532 3.494) 5.088 29.025 ( -0.461 1.802 2.488) 3.107 29.035 ( -0.378 1.928 2.283) 3.012 29.045 ( -0.274 1.515 1.975) 2.504 29.754 ( 0.857 5.484 11.098) 12.408 29.801 ( -1.132 5.971 12.622) 14.009 30.098 ( 0.184 -8.499 8.944) 12.339 30.146 ( -2.879 -6.661 10.929) 13.119 30.414 ( 7.392 3.500 10.830) 13.571 30.567 ( 2.674 -1.399 7.304) 7.903 30.677 ( -3.677 2.981 3.186) 5.706 30.765 ( -5.287 -2.231 5.700) 8.088 31.374 ( 0.656 -2.710 -5.796) 6.432 31.416 ( -1.221 -2.234 -6.367) 6.857 31.449 ( 0.923 -4.068 -5.042) 6.544 31.508 ( -2.022 -5.450 -5.180) 7.786 32.157 ( 4.643 9.113 -7.076) 12.437 32.311 ( -1.969 8.736 -11.139) 14.292 32.393 ( 4.761 0.605 -14.302) 15.086 32.601 ( -3.734 -3.236 -24.043) 24.546 ======================= Grid point 117 (45/72) ======================= q-point: (-0.50 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -0.794 4.039 2.393) 4.761 1.576 ( 0.794 4.039 2.393) 4.761 1.916 ( -7.619 4.782 2.882) 9.446 1.916 ( 7.619 4.782 2.882) 9.446 2.147 ( -1.476 -4.565 2.316) 5.328 2.147 ( 1.476 -4.565 2.316) 5.328 2.522 ( -5.408 -2.705 6.180) 8.646 2.522 ( 5.408 -2.705 6.180) 8.646 2.745 ( -6.624 2.515 -0.223) 7.089 2.745 ( 6.624 2.515 -0.223) 7.089 2.996 ( -6.467 -3.270 2.113) 7.549 2.996 ( 6.467 -3.270 2.113) 7.549 3.190 ( -7.300 -5.245 -1.755) 9.158 3.190 ( 7.300 -5.245 -1.755) 9.158 3.291 ( -5.964 -7.055 1.251) 9.322 3.291 ( 5.964 -7.055 1.251) 9.322 3.817 ( -2.947 0.601 2.231) 3.745 3.817 ( 2.947 0.601 2.231) 3.745 4.108 ( -0.361 0.648 5.673) 5.721 4.108 ( 0.361 0.648 5.673) 5.721 4.321 ( -6.256 1.489 3.893) 7.518 4.321 ( 6.256 1.489 3.893) 7.518 4.506 ( -2.181 9.329 20.992) 23.075 4.506 ( 2.181 9.329 20.992) 23.075 4.716 ( -1.910 7.569 7.709) 10.971 4.716 ( 1.910 7.569 7.709) 10.971 5.446 ( -2.426 -9.863 4.705) 11.193 5.446 ( 2.426 -9.863 4.705) 11.193 6.283 ( -3.441 -1.103 21.236) 21.541 6.283 ( 3.441 -1.103 21.236) 21.541 6.314 ( -4.355 -0.250 15.013) 15.633 6.314 ( 4.355 -0.250 15.013) 15.633 7.398 ( -5.430 10.309 5.228) 12.771 7.398 ( 5.430 10.309 5.228) 12.771 7.839 ( -5.737 3.501 5.984) 8.999 7.839 ( 5.737 3.501 5.984) 8.999 8.143 ( -3.634 -0.878 -2.219) 4.348 8.143 ( 3.634 -0.878 -2.219) 4.348 8.667 ( -1.545 -12.689 0.104) 12.783 8.667 ( 1.545 -12.689 0.104) 12.783 9.010 ( -5.253 -8.202 2.152) 9.975 9.010 ( 5.253 -8.202 2.152) 9.975 9.145 ( -2.314 -10.040 0.716) 10.328 9.145 ( 2.314 -10.040 0.716) 10.328 10.576 ( -4.735 15.000 -9.212) 18.228 10.576 ( 4.735 15.000 -9.212) 18.228 10.963 ( -4.144 2.115 -23.313) 23.773 10.963 ( 4.144 2.115 -23.313) 23.773 11.305 ( -5.074 4.961 -0.057) 7.097 11.305 ( 5.074 4.961 -0.057) 7.097 11.676 ( -3.463 -1.608 -12.941) 13.492 11.676 ( 3.463 -1.608 -12.941) 13.492 12.305 ( -2.260 18.035 -9.657) 20.582 12.305 ( 2.260 18.035 -9.657) 20.582 12.465 ( -1.903 8.858 -10.695) 14.017 12.465 ( 1.903 8.858 -10.695) 14.017 13.008 ( -1.470 -11.323 -10.453) 15.480 13.008 ( 1.470 -11.323 -10.453) 15.480 13.285 ( -4.974 -17.857 0.589) 18.546 13.285 ( 4.974 -17.857 0.589) 18.547 14.480 ( -1.386 5.419 -1.155) 5.712 14.480 ( 1.386 5.419 -1.155) 5.712 14.546 ( -1.126 3.688 -1.629) 4.186 14.546 ( 1.126 3.688 -1.629) 4.186 17.198 ( -6.010 8.986 26.466) 28.589 17.198 ( 6.010 8.986 26.466) 28.589 17.796 ( -2.961 -16.601 21.046) 26.969 17.796 ( 2.961 -16.601 21.046) 26.969 20.058 ( -3.230 25.427 -6.496) 26.442 20.058 ( 3.230 25.427 -6.496) 26.442 21.132 ( -2.060 -20.480 -9.104) 22.507 21.132 ( 2.060 -20.480 -9.104) 22.507 22.411 ( -4.687 11.289 -5.666) 13.473 22.411 ( 4.687 11.289 -5.666) 13.473 23.047 ( -5.595 -14.047 -7.735) 16.983 23.047 ( 5.595 -14.047 -7.735) 16.983 29.002 ( -1.569 3.346 3.207) 4.893 29.002 ( 1.569 3.346 3.207) 4.893 29.038 ( -0.417 1.062 1.985) 2.289 29.038 ( 0.417 1.062 1.985) 2.289 29.776 ( -1.398 5.647 11.748) 13.110 29.776 ( 1.398 5.647 11.748) 13.110 30.109 ( -1.186 -7.257 10.188) 12.565 30.109 ( 1.186 -7.257 10.188) 12.565 30.555 ( -6.670 3.000 6.221) 9.602 30.555 ( 6.670 3.000 6.221) 9.602 30.661 ( -4.715 -1.589 8.538) 9.882 30.661 ( 4.715 -1.589 8.538) 9.882 31.392 ( -1.263 -2.261 -6.578) 7.070 31.392 ( 1.263 -2.261 -6.578) 7.070 31.473 ( -1.664 -4.571 -4.954) 6.943 31.473 ( 1.664 -4.571 -4.954) 6.943 32.246 ( -4.542 8.851 -9.160) 13.523 32.246 ( 4.542 8.851 -9.160) 13.523 32.505 ( -6.322 -1.927 -20.218) 21.270 32.505 ( 6.322 -1.927 -20.218) 21.270 ======================= Grid point 120 (46/72) ======================= q-point: ( 0.00 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 0.000 -0.421 2.705) 2.737 1.739 ( 0.000 0.421 2.705) 2.737 2.010 ( 0.000 -7.322 3.073) 7.941 2.010 ( 0.000 7.322 3.073) 7.941 2.236 ( 0.000 -13.907 -8.644) 16.374 2.236 ( 0.000 13.907 -8.644) 16.374 2.552 ( 0.000 -4.691 4.516) 6.512 2.552 ( 0.000 4.691 4.516) 6.512 2.601 ( 0.000 -7.097 7.230) 10.131 2.601 ( 0.000 7.097 7.230) 10.131 2.701 ( 0.000 -7.288 -1.985) 7.553 2.701 ( 0.000 7.288 -1.985) 7.553 3.094 ( 0.000 -1.849 5.450) 5.756 3.094 ( 0.000 1.849 5.450) 5.756 3.452 ( 0.000 -0.313 -5.841) 5.850 3.452 ( 0.000 0.313 -5.841) 5.850 3.790 ( 0.000 -5.231 -2.197) 5.673 3.790 ( 0.000 5.231 -2.197) 5.673 4.093 ( 0.000 -14.778 -1.226) 14.829 4.093 ( 0.000 14.778 -1.226) 14.829 4.351 ( 0.000 -2.441 18.011) 18.176 4.351 ( 0.000 2.441 18.011) 18.176 4.562 ( 0.000 -5.582 18.709) 19.524 4.562 ( 0.000 5.582 18.709) 19.524 5.006 ( 0.000 -21.412 11.029) 24.085 5.006 ( 0.000 21.412 11.029) 24.085 5.150 ( 0.000 -20.290 4.543) 20.792 5.150 ( 0.000 20.290 4.543) 20.792 6.155 ( 0.000 -1.634 19.082) 19.151 6.155 ( 0.000 1.634 19.082) 19.151 6.361 ( 0.000 -0.575 21.475) 21.483 6.361 ( 0.000 0.575 21.475) 21.483 7.633 ( 0.000 -9.970 4.796) 11.064 7.633 ( 0.000 9.970 4.796) 11.064 7.865 ( 0.000 -16.691 -2.820) 16.927 7.865 ( 0.000 16.691 -2.820) 16.927 8.205 ( 0.000 -16.896 -0.813) 16.916 8.205 ( 0.000 16.896 -0.813) 16.916 8.456 ( 0.000 -11.999 2.383) 12.233 8.456 ( 0.000 11.999 2.383) 12.233 8.777 ( 0.000 -2.382 0.623) 2.462 8.777 ( 0.000 2.382 0.623) 2.462 9.147 ( 0.000 -1.653 7.224) 7.410 9.147 ( 0.000 1.653 7.224) 7.410 10.784 ( 0.000 -8.903 -15.194) 17.610 10.784 ( 0.000 8.903 -15.194) 17.610 10.920 ( 0.000 -5.039 -21.899) 22.472 10.920 ( 0.000 5.039 -21.899) 22.472 11.389 ( 0.000 -8.871 -5.392) 10.382 11.389 ( 0.000 8.871 -5.392) 10.382 11.614 ( 0.000 -9.216 -6.081) 11.042 11.614 ( 0.000 9.216 -6.081) 11.042 12.559 ( 0.000 -3.312 -11.160) 11.641 12.559 ( 0.000 3.312 -11.160) 11.641 12.679 ( 0.000 -10.950 -7.969) 13.543 12.679 ( 0.000 10.950 -7.969) 13.543 12.824 ( 0.000 -12.783 -2.086) 12.952 12.824 ( 0.000 12.783 -2.086) 12.952 13.011 ( 0.000 -14.459 -11.971) 18.771 13.011 ( 0.000 14.459 -11.971) 18.771 14.506 ( 0.000 -1.711 0.812) 1.894 14.506 ( 0.000 1.711 0.812) 1.894 14.618 ( 0.000 -1.459 -0.470) 1.533 14.618 ( 0.000 1.459 -0.470) 1.533 17.360 ( 0.000 -15.390 22.736) 27.455 17.360 ( 0.000 15.390 22.736) 27.455 17.576 ( 0.000 -11.777 21.734) 24.720 17.576 ( 0.000 11.777 21.734) 24.720 20.540 ( 0.000 -26.272 -3.790) 26.544 20.540 ( 0.000 26.272 -3.790) 26.544 20.693 ( 0.000 -25.128 -7.338) 26.178 20.693 ( 0.000 25.128 -7.338) 26.178 22.595 ( 0.000 -14.567 -6.918) 16.126 22.595 ( 0.000 14.567 -6.918) 16.126 22.822 ( 0.000 -15.855 -8.906) 18.185 22.822 ( 0.000 15.855 -8.906) 18.185 29.019 ( 0.000 -1.275 2.180) 2.525 29.019 ( 0.000 1.275 2.180) 2.525 29.072 ( 0.000 -0.232 1.782) 1.797 29.072 ( 0.000 0.232 1.782) 1.797 29.901 ( 0.000 -8.538 10.618) 13.625 29.901 ( 0.000 8.538 10.618) 13.625 29.986 ( 0.000 -9.438 13.238) 16.258 29.986 ( 0.000 9.438 13.238) 16.258 30.457 ( 0.000 -5.345 9.285) 10.714 30.457 ( 0.000 5.345 9.285) 10.714 30.774 ( 0.000 -1.926 2.611) 3.244 30.774 ( 0.000 1.926 2.611) 3.244 31.361 ( 0.000 -2.211 -6.016) 6.409 31.361 ( 0.000 2.211 -6.016) 6.409 31.434 ( 0.000 -2.222 -6.656) 7.017 31.434 ( 0.000 2.222 -6.656) 7.017 32.281 ( 0.000 -5.663 -8.709) 10.388 32.281 ( 0.000 5.663 -8.709) 10.388 32.522 ( 0.000 -6.943 -17.518) 18.844 32.522 ( 0.000 6.943 -17.518) 18.844 ======================= Grid point 122 (47/72) ======================= q-point: ( 0.25 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -0.622 -6.309 2.480) 6.807 1.730 ( -0.622 6.309 2.480) 6.807 1.869 ( -9.398 -11.402 -1.469) 14.849 1.869 ( -9.398 11.402 -1.469) 14.849 2.299 ( 2.685 -11.821 -1.464) 12.211 2.299 ( 2.685 11.821 -1.464) 12.211 2.440 ( -7.152 -9.676 7.378) 14.114 2.440 ( -7.152 9.676 7.378) 14.114 2.688 ( 10.279 -5.139 2.633) 11.790 2.688 ( 10.279 5.139 2.633) 11.790 2.876 ( 11.209 -4.027 -2.459) 12.162 2.876 ( 11.209 4.027 -2.459) 12.162 3.054 ( -3.495 -3.143 5.308) 7.090 3.054 ( -3.495 3.143 5.308) 7.090 3.352 ( -9.288 -1.826 -5.215) 10.807 3.352 ( -9.288 1.826 -5.215) 10.807 3.843 ( 4.520 -8.302 -0.473) 9.465 3.843 ( 4.520 8.302 -0.473) 9.465 4.031 ( -5.246 -11.312 1.086) 12.517 4.031 ( -5.246 11.312 1.086) 12.517 4.407 ( 4.671 -6.095 13.975) 15.946 4.407 ( 4.671 6.095 13.975) 15.946 4.542 ( -2.047 -4.773 16.505) 17.303 4.542 ( -2.047 4.773 16.505) 17.303 5.030 ( 2.487 -20.753 11.259) 23.741 5.030 ( 2.487 20.753 11.259) 23.741 5.135 ( -1.673 -20.139 6.881) 21.348 5.135 ( -1.673 20.139 6.881) 21.348 6.199 ( 4.357 -1.323 18.738) 19.283 6.199 ( 4.357 1.323 18.738) 19.283 6.347 ( -1.779 -1.089 20.627) 20.732 6.347 ( -1.779 1.089 20.627) 20.732 7.641 ( 1.164 -11.345 3.881) 12.047 7.641 ( 1.164 11.345 3.881) 12.047 7.791 ( -6.180 -15.333 -1.574) 16.607 7.791 ( -6.180 15.333 -1.574) 16.607 8.265 ( 4.948 -17.007 0.200) 17.714 8.265 ( 4.948 17.007 0.200) 17.714 8.424 ( -3.093 -12.940 2.359) 13.512 8.424 ( -3.093 12.940 2.359) 13.512 8.837 ( 5.905 -2.563 0.834) 6.491 8.837 ( 5.905 2.563 0.834) 6.491 9.094 ( -5.413 -1.559 5.664) 7.988 9.094 ( -5.413 1.559 5.664) 7.988 10.806 ( 2.222 -8.709 -15.948) 18.306 10.806 ( 2.222 8.709 -15.948) 18.306 10.902 ( -1.921 -5.942 -20.637) 21.561 10.902 ( -1.921 5.942 -20.637) 21.561 11.427 ( 3.760 -9.796 -5.486) 11.841 11.427 ( 3.760 9.796 -5.486) 11.841 11.585 ( -3.054 -9.678 -5.889) 11.733 11.585 ( -3.054 9.678 -5.889) 11.733 12.583 ( 2.367 -5.709 -10.365) 12.068 12.583 ( 2.367 5.709 -10.365) 12.068 12.668 ( -1.226 -10.512 -7.832) 13.166 12.668 ( -1.226 10.512 -7.832) 13.166 12.842 ( 1.945 -12.996 -3.912) 13.711 12.842 ( 1.945 12.996 -3.912) 13.711 12.974 ( -3.642 -14.197 -11.046) 18.353 12.974 ( -3.642 14.197 -11.046) 18.353 14.523 ( 1.793 -1.637 0.595) 2.500 14.523 ( 1.793 1.637 0.595) 2.500 14.602 ( -1.585 -1.474 -0.306) 2.186 14.602 ( -1.585 1.474 -0.306) 2.186 17.386 ( 2.689 -15.112 22.704) 27.406 17.386 ( 2.689 15.112 22.704) 27.406 17.537 ( -3.835 -12.618 22.026) 25.672 17.537 ( -3.835 12.618 22.026) 25.672 20.564 ( 2.380 -26.088 -4.361) 26.557 20.564 ( 2.380 26.088 -4.361) 26.557 20.671 ( -2.217 -25.285 -6.852) 26.290 20.671 ( -2.217 25.285 -6.852) 26.290 22.633 ( 3.755 -15.008 -7.297) 17.105 22.633 ( 3.755 15.008 -7.297) 17.105 22.792 ( -3.076 -15.879 -8.690) 18.361 22.792 ( -3.076 15.879 -8.690) 18.361 29.027 ( 0.804 -1.076 2.160) 2.544 29.027 ( 0.804 1.076 2.160) 2.544 29.065 ( -0.784 -0.157 1.873) 2.036 29.065 ( -0.784 0.157 1.873) 2.036 29.908 ( 0.861 -8.410 10.962) 13.843 29.908 ( 0.861 8.410 10.962) 13.843 29.967 ( -1.800 -8.815 12.769) 15.620 29.967 ( -1.800 8.815 12.769) 15.620 30.506 ( 4.898 -4.094 8.844) 10.907 30.506 ( 4.898 4.094 8.844) 10.907 30.727 ( -4.733 -1.694 4.237) 6.574 30.727 ( -4.733 1.694 4.237) 6.574 31.369 ( 0.914 -2.187 -6.281) 6.713 31.369 ( 0.914 2.187 -6.281) 6.713 31.420 ( -1.340 -2.164 -6.672) 7.141 31.420 ( -1.340 2.164 -6.672) 7.141 32.324 ( 4.284 -5.701 -10.468) 12.666 32.324 ( 4.284 5.701 -10.468) 12.666 32.493 ( -3.060 -6.723 -16.570) 18.141 32.493 ( -3.060 6.723 -16.570) 18.141 ======================= Grid point 124 (48/72) ======================= q-point: (-0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -3.403 -10.983 0.012) 11.499 1.747 ( 3.379 -10.982 0.012) 11.490 1.747 ( -3.379 10.982 0.012) 11.490 1.747 ( 3.403 10.984 0.012) 11.499 2.345 ( -3.131 -12.443 4.169) 13.491 2.345 ( 2.994 -12.434 4.169) 13.452 2.345 ( -2.994 12.434 4.169) 13.452 2.345 ( 3.131 12.443 4.169) 13.491 2.883 ( -8.953 -7.152 2.916) 11.824 2.883 ( 8.765 -7.093 2.916) 11.646 2.883 ( -8.765 7.093 2.916) 11.646 2.883 ( 8.953 7.152 2.916) 11.824 3.149 ( -10.497 -2.540 -3.093) 11.235 3.149 ( -9.592 -1.380 -3.093) 10.172 3.149 ( 9.592 1.380 -3.093) 10.172 3.149 ( 10.497 2.540 -3.093) 11.235 3.933 ( -5.091 -9.657 1.348) 10.999 3.933 ( 5.031 -9.649 1.348) 10.965 3.933 ( -5.031 9.649 1.348) 10.965 3.933 ( 5.092 9.657 1.348) 10.999 4.489 ( -3.170 -7.702 13.123) 15.543 4.489 ( 2.372 -7.630 13.123) 15.364 4.489 ( -2.372 7.630 13.123) 15.364 4.489 ( 3.170 7.702 13.123) 15.543 5.087 ( -3.225 -20.605 10.249) 23.238 5.087 ( 3.195 -20.604 10.249) 23.233 5.087 ( -3.195 20.604 10.249) 23.233 5.087 ( 3.225 20.605 10.249) 23.238 6.288 ( -4.421 -1.222 19.086) 19.629 6.288 ( -3.948 0.710 19.086) 19.503 6.288 ( 3.948 -0.710 19.086) 19.503 6.288 ( 4.421 1.222 19.086) 19.629 7.689 ( -4.159 -13.669 1.345) 14.351 7.689 ( 4.118 -13.666 1.345) 14.336 7.689 ( -4.118 13.666 1.345) 14.336 7.689 ( 4.159 13.669 1.345) 14.351 8.354 ( -4.369 -15.415 1.728) 16.115 8.354 ( 4.365 -15.414 1.728) 16.113 8.354 ( -4.365 15.414 1.728) 16.113 8.354 ( 4.369 15.415 1.728) 16.115 8.968 ( -6.197 -3.962 2.621) 7.808 8.968 ( -3.108 -2.917 2.621) 5.004 8.968 ( 3.108 2.917 2.621) 5.004 8.968 ( 6.197 3.962 2.621) 7.808 10.855 ( -2.268 -10.194 -18.068) 20.869 10.855 ( 1.903 -10.175 -18.068) 20.823 10.855 ( -1.903 10.175 -18.068) 20.823 10.855 ( 2.268 10.194 -18.068) 20.869 11.510 ( -4.487 -11.151 -5.617) 13.267 11.510 ( 4.162 -11.119 -5.617) 13.134 11.510 ( -4.162 11.119 -5.617) 13.134 11.510 ( 4.487 11.151 -5.617) 13.267 12.632 ( -2.556 -8.949 -8.569) 12.651 12.632 ( 2.545 -8.948 -8.569) 12.648 12.632 ( -2.545 8.948 -8.569) 12.648 12.632 ( 2.556 8.949 -8.569) 12.651 12.897 ( -3.973 -13.673 -7.993) 16.328 12.897 ( 3.961 -13.672 -7.993) 16.325 12.897 ( -3.961 13.672 -7.993) 16.325 12.897 ( 3.973 13.673 -7.993) 16.328 14.564 ( -2.114 -1.986 0.120) 2.903 14.564 ( 0.568 -1.705 0.120) 1.801 14.564 ( -0.568 1.705 0.120) 1.801 14.564 ( 2.114 1.986 0.120) 2.903 17.455 ( -4.485 -14.351 22.491) 27.054 17.455 ( 4.441 -14.348 22.491) 27.045 17.455 ( -4.441 14.348 22.491) 27.045 17.455 ( 4.485 14.351 22.491) 27.054 20.618 ( -3.221 -25.695 -5.648) 26.505 20.618 ( 3.220 -25.695 -5.648) 26.505 20.618 ( -3.220 25.695 -5.648) 26.505 20.618 ( 3.221 25.695 -5.648) 26.505 22.717 ( -4.783 -15.689 -8.074) 18.282 22.717 ( 4.780 -15.689 -8.074) 18.281 22.717 ( -4.780 15.689 -8.074) 18.281 22.717 ( 4.783 15.689 -8.074) 18.282 29.046 ( -1.087 -0.653 2.052) 2.412 29.046 ( 0.060 -0.362 2.052) 2.084 29.046 ( -0.060 0.362 2.052) 2.084 29.046 ( 1.087 0.653 2.052) 2.412 29.932 ( -1.697 -8.364 11.816) 14.576 29.932 ( 1.692 -8.364 11.816) 14.575 29.932 ( -1.692 8.364 11.816) 14.575 29.932 ( 1.697 8.364 11.816) 14.576 30.617 ( -6.378 -2.469 7.094) 9.855 30.617 ( -4.068 0.254 7.094) 8.182 30.617 ( 4.068 -0.254 7.094) 8.182 30.617 ( 6.378 2.469 7.094) 9.855 31.392 ( -1.439 -2.247 -6.616) 7.134 31.392 ( 1.302 -2.226 -6.616) 7.101 31.392 ( -1.302 2.226 -6.616) 7.101 31.392 ( 1.439 2.247 -6.616) 7.134 32.416 ( -4.992 -6.260 -13.901) 16.042 32.416 ( 4.792 -6.221 -13.901) 15.965 32.416 ( -4.792 6.221 -13.901) 15.965 32.416 ( 4.992 6.260 -13.901) 16.042 ======================= Grid point 140 (49/72) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 0.000 0.000 0.537) 0.537 1.826 ( 0.000 0.000 17.147) 17.147 2.083 ( 0.000 0.000 -5.329) 5.329 2.145 ( 0.000 0.000 24.498) 24.498 2.203 ( 0.000 0.000 1.798) 1.798 2.569 ( 0.000 0.000 1.738) 1.738 2.587 ( 0.000 0.000 4.371) 4.371 2.681 ( 0.000 0.000 3.787) 3.787 2.813 ( 0.000 0.000 1.670) 1.670 2.847 ( 0.000 0.000 0.979) 0.979 2.939 ( 0.000 0.000 -7.161) 7.161 2.992 ( 0.000 0.000 2.674) 2.674 3.431 ( 0.000 0.000 0.261) 0.261 3.532 ( 0.000 0.000 19.610) 19.610 3.597 ( 0.000 0.000 2.589) 2.589 3.664 ( 0.000 0.000 -0.140) 0.140 3.720 ( 0.000 0.000 -5.315) 5.315 3.791 ( 0.000 0.000 11.400) 11.400 3.849 ( 0.000 0.000 -0.831) 0.831 3.949 ( 0.000 0.000 0.540) 0.540 4.192 ( 0.000 0.000 10.411) 10.411 4.307 ( 0.000 0.000 5.337) 5.337 4.532 ( 0.000 0.000 -1.617) 1.617 4.592 ( 0.000 0.000 -0.001) 0.001 4.832 ( 0.000 0.000 -18.688) 18.688 4.911 ( 0.000 0.000 11.854) 11.854 4.989 ( 0.000 0.000 -19.865) 19.865 5.146 ( 0.000 0.000 -0.553) 0.553 6.668 ( 0.000 0.000 34.419) 34.419 6.853 ( 0.000 0.000 30.255) 30.255 7.002 ( 0.000 0.000 33.068) 33.068 7.100 ( 0.000 0.000 31.308) 31.308 7.259 ( 0.000 0.000 6.548) 6.548 7.476 ( 0.000 0.000 1.061) 1.061 7.764 ( 0.000 0.000 6.897) 6.897 7.811 ( 0.000 0.000 1.851) 1.851 8.127 ( 0.000 0.000 -0.919) 0.919 8.736 ( 0.000 0.000 -2.885) 2.885 8.849 ( 0.000 0.000 -7.385) 7.385 8.967 ( 0.000 0.000 -3.675) 3.675 8.968 ( 0.000 0.000 -7.878) 7.878 9.384 ( 0.000 0.000 -7.255) 7.255 9.391 ( 0.000 0.000 -2.074) 2.074 9.477 ( 0.000 0.000 -10.693) 10.693 9.847 ( 0.000 0.000 3.306) 3.306 10.254 ( 0.000 0.000 2.364) 2.364 10.284 ( 0.000 0.000 -11.270) 11.270 10.693 ( 0.000 0.000 -15.247) 15.247 10.922 ( 0.000 0.000 -18.031) 18.031 11.011 ( 0.000 0.000 -15.665) 15.665 11.124 ( 0.000 0.000 -6.731) 6.731 11.232 ( 0.000 0.000 -6.118) 6.118 11.473 ( 0.000 0.000 -7.607) 7.607 11.864 ( 0.000 0.000 -16.819) 16.819 12.015 ( 0.000 0.000 0.991) 0.991 12.344 ( 0.000 0.000 -11.072) 11.072 13.373 ( 0.000 0.000 8.175) 8.175 13.380 ( 0.000 0.000 8.326) 8.326 13.874 ( 0.000 0.000 8.465) 8.465 13.992 ( 0.000 0.000 -7.989) 7.989 14.004 ( 0.000 0.000 -8.119) 8.119 14.085 ( 0.000 0.000 -1.156) 1.156 14.176 ( 0.000 0.000 -5.075) 5.075 14.312 ( 0.000 0.000 -8.687) 8.687 17.502 ( 0.000 0.000 28.988) 28.988 17.775 ( 0.000 0.000 24.097) 24.097 18.900 ( 0.000 0.000 -18.816) 18.816 18.965 ( 0.000 0.000 35.394) 35.394 18.994 ( 0.000 0.000 -18.687) 18.687 19.011 ( 0.000 0.000 35.423) 35.423 20.983 ( 0.000 0.000 -28.854) 28.854 20.993 ( 0.000 0.000 -28.235) 28.235 22.360 ( 0.000 0.000 9.609) 9.609 22.536 ( 0.000 0.000 7.805) 7.805 23.050 ( 0.000 0.000 -9.191) 9.191 23.300 ( 0.000 0.000 -13.960) 13.960 28.952 ( 0.000 0.000 4.107) 4.107 28.995 ( 0.000 0.000 2.854) 2.854 29.028 ( 0.000 0.000 1.032) 1.032 29.032 ( 0.000 0.000 0.768) 0.768 29.827 ( 0.000 0.000 10.785) 10.785 29.909 ( 0.000 0.000 11.345) 11.345 30.335 ( 0.000 0.000 -3.041) 3.041 30.467 ( 0.000 0.000 -5.985) 5.985 30.516 ( 0.000 0.000 15.206) 15.206 30.541 ( 0.000 0.000 8.503) 8.503 30.857 ( 0.000 0.000 13.621) 13.621 30.980 ( 0.000 0.000 3.522) 3.522 31.449 ( 0.000 0.000 -5.462) 5.462 31.538 ( 0.000 0.000 -6.536) 6.536 31.591 ( 0.000 0.000 2.891) 2.891 31.661 ( 0.000 0.000 2.522) 2.522 31.763 ( 0.000 0.000 -12.726) 12.726 31.844 ( 0.000 0.000 -2.747) 2.747 31.937 ( 0.000 0.000 -6.791) 6.791 32.024 ( 0.000 0.000 -30.435) 30.435 ======================= Grid point 141 (50/72) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -3.039 0.000 5.649) 6.415 1.889 ( 6.218 0.000 15.794) 16.974 1.897 ( -12.383 0.000 15.900) 20.153 2.151 ( -5.328 0.000 5.282) 7.503 2.356 ( 14.373 0.000 1.206) 14.423 2.610 ( 3.360 0.000 4.182) 5.364 2.634 ( 4.945 0.000 2.489) 5.536 2.675 ( -1.056 0.000 2.978) 3.160 2.766 ( -4.537 0.000 2.990) 5.433 2.855 ( 1.120 0.000 -0.552) 1.248 2.887 ( -5.451 0.000 -5.498) 7.742 2.999 ( -1.597 0.000 -0.818) 1.795 3.390 ( -0.964 0.000 2.587) 2.761 3.531 ( -4.970 0.000 0.768) 5.029 3.577 ( 4.361 0.000 18.149) 18.666 3.741 ( 5.635 0.000 -1.164) 5.754 3.751 ( -3.679 0.000 12.065) 12.614 3.782 ( 3.830 0.000 -4.493) 5.904 3.845 ( 0.184 0.000 1.787) 1.797 3.937 ( -2.868 0.000 4.781) 5.575 4.197 ( 3.294 0.000 2.648) 4.226 4.333 ( 0.498 0.000 4.468) 4.495 4.525 ( 0.601 0.000 1.325) 1.455 4.598 ( -0.328 0.000 1.971) 1.998 4.850 ( 1.950 0.000 -18.821) 18.922 4.905 ( 0.272 0.000 8.620) 8.624 4.961 ( -2.768 0.000 -19.806) 19.999 5.084 ( -6.240 0.000 -0.811) 6.293 6.687 ( 1.989 0.000 33.950) 34.008 6.812 ( -3.768 0.000 30.789) 31.019 7.003 ( 0.902 0.000 32.479) 32.492 7.081 ( -1.785 0.000 32.800) 32.848 7.365 ( 9.418 0.000 6.733) 11.577 7.538 ( 5.916 0.000 1.840) 6.196 7.701 ( -6.275 0.000 6.502) 9.036 7.770 ( -4.297 0.000 2.138) 4.799 8.197 ( 7.269 0.000 -1.065) 7.347 8.603 ( -11.428 0.000 -2.483) 11.694 8.862 ( 1.418 0.000 -6.803) 6.949 8.943 ( -2.218 0.000 -4.156) 4.711 9.055 ( 6.884 0.000 -8.047) 10.590 9.318 ( -6.142 0.000 -7.412) 9.626 9.410 ( 1.766 0.000 -3.544) 3.959 9.469 ( -0.841 0.000 -9.572) 9.609 9.908 ( 5.704 0.000 2.325) 6.160 10.142 ( -6.295 0.000 -1.041) 6.381 10.423 ( 8.587 0.000 -8.701) 12.225 10.663 ( -3.338 0.000 -14.467) 14.847 10.932 ( 1.106 0.000 -17.728) 17.763 10.993 ( -1.645 0.000 -15.996) 16.080 11.144 ( 1.884 0.000 -6.666) 6.927 11.219 ( -1.420 0.000 -6.174) 6.335 11.511 ( 4.130 0.000 -7.219) 8.317 11.764 ( -7.796 0.000 -9.747) 12.481 12.107 ( 6.960 0.000 -6.296) 9.385 12.315 ( -3.161 0.000 -10.869) 11.319 13.374 ( 0.082 0.000 8.195) 8.196 13.379 ( -0.146 0.000 8.302) 8.303 13.896 ( 2.338 0.000 7.549) 7.903 13.994 ( 0.214 0.000 -8.003) 8.006 14.002 ( -0.145 0.000 -8.095) 8.097 14.037 ( -4.080 0.000 1.121) 4.231 14.210 ( 2.661 0.000 -6.229) 6.774 14.297 ( -1.519 0.000 -8.419) 8.555 17.531 ( 3.113 0.000 28.795) 28.963 17.722 ( -5.185 0.000 25.512) 26.034 18.915 ( 1.456 0.000 -18.896) 18.952 18.972 ( 0.675 0.000 35.400) 35.407 18.981 ( -1.374 0.000 -18.779) 18.829 19.004 ( -0.686 0.000 35.421) 35.427 20.985 ( 0.159 0.000 -28.765) 28.765 20.992 ( -0.151 0.000 -28.327) 28.328 22.381 ( 2.251 0.000 9.298) 9.567 22.506 ( -3.009 0.000 7.989) 8.537 23.099 ( 4.740 0.000 -10.247) 11.290 23.274 ( -2.844 0.000 -13.541) 13.836 28.958 ( 0.622 0.000 3.933) 3.982 28.988 ( -0.665 0.000 3.053) 3.124 29.029 ( 0.079 0.000 0.973) 0.977 29.032 ( -0.038 0.000 0.805) 0.806 29.836 ( 1.014 0.000 10.829) 10.876 29.894 ( -1.502 0.000 11.194) 11.295 30.358 ( 2.250 0.000 -3.395) 4.073 30.450 ( -1.744 0.000 -5.508) 5.777 30.514 ( -0.084 0.000 13.628) 13.628 30.533 ( -0.783 0.000 9.358) 9.391 30.887 ( 3.056 0.000 13.465) 13.807 30.984 ( -0.207 0.000 6.363) 6.366 31.434 ( -1.338 0.000 -5.808) 5.961 31.475 ( -4.335 0.000 -5.256) 6.813 31.598 ( 0.750 0.000 2.908) 3.003 31.645 ( -1.418 0.000 2.692) 3.043 31.840 ( 6.073 0.000 -17.392) 18.422 31.863 ( 1.765 0.000 -3.467) 3.891 31.927 ( -1.100 0.000 -6.283) 6.378 32.005 ( -2.135 0.000 -28.759) 28.838 ======================= Grid point 142 (51/72) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -6.816 0.000 14.005) 15.576 1.705 ( 6.816 0.000 14.005) 15.576 2.025 ( -7.739 0.000 11.515) 13.874 2.025 ( 7.739 0.000 11.515) 13.874 2.593 ( -9.456 0.000 -0.971) 9.506 2.593 ( 9.456 0.000 -0.971) 9.506 2.676 ( -3.905 0.000 6.432) 7.524 2.676 ( 3.905 0.000 6.432) 7.524 2.757 ( -7.744 0.000 -1.529) 7.894 2.757 ( 7.744 0.000 -1.529) 7.894 2.913 ( -5.379 0.000 -2.790) 6.060 2.913 ( 5.379 0.000 -2.790) 6.060 3.438 ( -4.813 0.000 2.268) 5.320 3.438 ( 4.813 0.000 2.268) 5.320 3.669 ( -5.027 0.000 15.301) 16.106 3.669 ( 5.027 0.000 15.301) 16.106 3.810 ( -1.223 0.000 -3.574) 3.777 3.810 ( 1.223 0.000 -3.574) 3.777 3.872 ( -2.908 0.000 4.540) 5.391 3.872 ( 2.908 0.000 4.540) 5.391 4.290 ( -4.863 0.000 0.777) 4.925 4.290 ( 4.863 0.000 0.777) 4.925 4.565 ( -2.872 0.000 4.450) 5.296 4.565 ( 2.872 0.000 4.450) 5.296 4.901 ( -3.359 0.000 -19.299) 19.589 4.901 ( 3.359 0.000 -19.299) 19.589 4.959 ( -5.771 0.000 1.819) 6.051 4.959 ( 5.771 0.000 1.819) 6.051 6.739 ( -3.625 0.000 32.502) 32.703 6.739 ( 3.625 0.000 32.502) 32.703 7.039 ( -2.535 0.000 33.275) 33.372 7.039 ( 2.535 0.000 33.275) 33.372 7.550 ( -9.691 0.000 6.345) 11.583 7.550 ( 9.691 0.000 6.345) 11.583 7.663 ( -6.879 0.000 2.424) 7.293 7.663 ( 6.879 0.000 2.424) 7.293 8.379 ( -11.776 0.000 -1.669) 11.894 8.379 ( 11.776 0.000 -1.669) 11.894 8.898 ( -2.390 0.000 -5.439) 5.941 8.898 ( 2.390 0.000 -5.439) 5.941 9.189 ( -7.381 0.000 -8.015) 10.895 9.189 ( 7.381 0.000 -8.015) 10.895 9.445 ( -1.776 0.000 -6.721) 6.952 9.445 ( 1.776 0.000 -6.721) 6.952 10.025 ( -6.455 0.000 0.678) 6.490 10.025 ( 6.455 0.000 0.678) 6.490 10.569 ( -6.756 0.000 -12.064) 13.827 10.569 ( 6.756 0.000 -12.064) 13.827 10.960 ( -1.790 0.000 -16.919) 17.013 10.960 ( 1.790 0.000 -16.919) 17.013 11.184 ( -2.185 0.000 -6.373) 6.737 11.184 ( 2.185 0.000 -6.373) 6.737 11.620 ( -7.276 0.000 -7.123) 10.182 11.620 ( 7.276 0.000 -7.123) 10.182 12.230 ( -5.871 0.000 -9.742) 11.374 12.230 ( 5.871 0.000 -9.742) 11.374 13.376 ( -0.161 0.000 8.247) 8.248 13.376 ( 0.161 0.000 8.247) 8.248 13.958 ( -4.117 0.000 4.840) 6.354 13.958 ( 4.117 0.000 4.840) 6.354 13.998 ( -0.254 0.000 -8.044) 8.048 13.998 ( 0.254 0.000 -8.044) 8.048 14.259 ( -2.517 0.000 -7.588) 7.994 14.259 ( 2.517 0.000 -7.588) 7.994 17.615 ( -5.679 0.000 27.743) 28.319 17.615 ( 5.679 0.000 27.743) 28.319 18.948 ( -1.979 0.000 -18.918) 19.021 18.948 ( 1.979 0.000 -18.918) 19.021 18.988 ( -0.962 0.000 35.412) 35.425 18.988 ( 0.962 0.000 35.412) 35.425 20.988 ( -0.220 0.000 -28.547) 28.548 20.988 ( 0.220 0.000 -28.547) 28.548 22.439 ( -3.762 0.000 8.585) 9.374 22.439 ( 3.762 0.000 8.585) 9.374 23.198 ( -5.216 0.000 -12.205) 13.273 23.198 ( 5.216 0.000 -12.205) 13.273 28.973 ( -0.898 0.000 3.504) 3.617 28.973 ( 0.898 0.000 3.504) 3.617 29.031 ( -0.078 0.000 0.880) 0.884 29.031 ( 0.078 0.000 0.880) 0.884 29.862 ( -1.706 0.000 10.966) 11.098 29.862 ( 1.706 0.000 10.966) 11.098 30.407 ( -2.752 0.000 -4.398) 5.188 30.407 ( 2.752 0.000 -4.398) 5.188 30.518 ( -0.632 0.000 11.177) 11.195 30.518 ( 0.632 0.000 11.177) 11.195 30.952 ( -3.226 0.000 11.449) 11.895 30.952 ( 3.226 0.000 11.449) 11.895 31.424 ( -0.967 0.000 -5.814) 5.893 31.424 ( 0.967 0.000 -5.814) 5.893 31.618 ( -1.390 0.000 2.882) 3.200 31.618 ( 1.390 0.000 2.882) 3.200 31.899 ( -1.884 0.000 -4.970) 5.315 31.899 ( 1.884 0.000 -4.970) 5.315 31.943 ( -4.598 0.000 -24.059) 24.495 31.943 ( 4.598 0.000 -24.059) 24.495 ======================= Grid point 145 (52/72) ======================= q-point: ( 0.00 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.000 -11.302 12.909) 17.157 1.764 ( 0.000 2.580 0.963) 2.754 2.070 ( 0.000 -2.750 -2.063) 3.438 2.124 ( 0.000 -4.395 13.242) 13.952 2.183 ( 0.000 1.718 8.919) 9.083 2.380 ( 0.000 -10.116 4.566) 11.099 2.681 ( 0.000 4.100 -4.027) 5.747 2.687 ( 0.000 -1.473 -0.562) 1.576 2.755 ( 0.000 -2.765 6.449) 7.016 2.837 ( 0.000 -0.820 1.498) 1.707 2.870 ( 0.000 -7.732 -8.507) 11.496 2.994 ( 0.000 -1.779 1.124) 2.104 3.285 ( 0.000 -3.536 1.488) 3.836 3.333 ( 0.000 -11.836 3.062) 12.225 3.363 ( 0.000 -15.980 -0.392) 15.985 3.542 ( 0.000 -7.602 0.031) 7.602 3.813 ( 0.000 4.739 3.563) 5.929 3.959 ( 0.000 5.765 8.290) 10.097 4.066 ( 0.000 14.493 7.245) 16.203 4.103 ( 0.000 9.845 1.663) 9.985 4.221 ( 0.000 -13.213 -4.410) 13.930 4.409 ( 0.000 7.646 6.167) 9.823 4.445 ( 0.000 13.187 6.470) 14.689 4.676 ( 0.000 7.990 2.165) 8.278 4.702 ( 0.000 -10.093 -7.849) 12.786 4.907 ( 0.000 2.197 14.713) 14.877 5.201 ( 0.000 12.042 -14.869) 19.134 5.419 ( 0.000 16.204 -5.589) 17.141 6.642 ( 0.000 -2.317 30.032) 30.121 6.832 ( 0.000 -1.470 26.716) 26.757 6.884 ( 0.000 -8.540 24.727) 26.160 6.976 ( 0.000 -7.945 31.844) 32.820 7.275 ( 0.000 3.463 12.422) 12.896 7.650 ( 0.000 11.379 6.266) 12.990 7.688 ( 0.000 -5.083 7.752) 9.270 7.871 ( 0.000 4.126 5.232) 6.663 8.126 ( 0.000 1.802 -2.599) 3.162 8.503 ( 0.000 -16.515 1.114) 16.553 8.810 ( 0.000 -4.393 -5.515) 7.051 8.873 ( 0.000 -9.480 -5.727) 11.075 8.901 ( 0.000 -4.434 -3.544) 5.676 9.265 ( 0.000 -15.314 -4.427) 15.941 9.374 ( 0.000 -4.483 -3.104) 5.453 9.395 ( 0.000 0.049 -6.371) 6.372 9.987 ( 0.000 11.365 -6.342) 13.015 10.282 ( 0.000 0.560 -16.061) 16.071 10.316 ( 0.000 4.599 -10.036) 11.040 10.598 ( 0.000 -3.830 -18.772) 19.159 11.135 ( 0.000 16.653 -10.006) 19.428 11.157 ( 0.000 -1.068 -1.124) 1.550 11.245 ( 0.000 18.416 -8.666) 20.353 11.374 ( 0.000 11.574 -0.486) 11.585 11.695 ( 0.000 17.768 -10.199) 20.487 11.817 ( 0.000 -3.231 -17.918) 18.207 12.063 ( 0.000 6.226 -4.780) 7.849 12.266 ( 0.000 -6.218 -11.666) 13.219 13.246 ( 0.000 -10.856 6.004) 12.406 13.265 ( 0.000 -10.140 6.363) 11.971 13.595 ( 0.000 -16.115 1.495) 16.184 13.725 ( 0.000 -15.261 -4.528) 15.919 14.244 ( 0.000 12.097 -2.090) 12.277 14.257 ( 0.000 6.479 -2.948) 7.118 14.326 ( 0.000 11.968 -4.290) 12.713 14.373 ( 0.000 5.099 -6.197) 8.025 17.512 ( 0.000 1.208 27.365) 27.392 17.772 ( 0.000 0.062 22.773) 22.773 18.465 ( 0.000 -20.185 8.124) 21.759 18.559 ( 0.000 -18.554 8.822) 20.545 19.446 ( 0.000 24.555 9.409) 26.297 19.526 ( 0.000 25.496 7.024) 26.446 21.001 ( 0.000 0.603 -25.572) 25.580 21.017 ( 0.000 0.597 -24.955) 24.962 22.277 ( 0.000 -5.863 8.450) 10.285 22.473 ( 0.000 -4.416 6.145) 7.567 22.963 ( 0.000 -7.832 -9.721) 12.483 23.200 ( 0.000 -8.963 -13.940) 16.573 28.976 ( 0.000 1.942 3.444) 3.954 29.025 ( 0.000 2.409 2.148) 3.228 29.040 ( 0.000 0.681 0.725) 0.994 29.043 ( 0.000 1.281 1.128) 1.707 29.862 ( 0.000 3.188 10.979) 11.433 29.950 ( 0.000 3.793 11.960) 12.547 30.327 ( 0.000 -1.461 -0.569) 1.568 30.438 ( 0.000 -2.382 1.943) 3.074 30.524 ( 0.000 0.869 13.584) 13.611 30.576 ( 0.000 3.075 1.171) 3.291 30.825 ( 0.000 -2.579 12.592) 12.853 30.946 ( 0.000 -2.706 3.909) 4.754 31.410 ( 0.000 -3.266 -5.490) 6.388 31.411 ( 0.000 -6.611 -3.233) 7.359 31.475 ( 0.000 -8.465 -2.185) 8.742 31.586 ( 0.000 -9.119 -7.607) 11.875 31.818 ( 0.000 9.356 -1.423) 9.463 31.994 ( 0.000 5.405 -7.000) 8.844 32.022 ( 0.000 7.879 -8.867) 11.862 32.105 ( 0.000 5.512 -24.172) 24.793 ======================= Grid point 146 (53/72) ======================= q-point: ( 0.25 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 2.576 -8.972 11.193) 14.575 1.736 ( -0.626 3.171 5.985) 6.802 1.942 ( -6.429 -2.804 11.845) 13.766 2.081 ( -7.915 -1.972 5.105) 9.623 2.314 ( 11.117 -4.038 4.511) 12.659 2.409 ( 2.406 -11.471 2.599) 12.006 2.656 ( -1.735 -1.201 1.845) 2.802 2.706 ( -3.527 -1.056 6.052) 7.084 2.731 ( 0.887 -2.571 -1.910) 3.324 2.833 ( 0.002 -1.918 -5.145) 5.491 2.851 ( 0.407 -0.741 -0.285) 0.892 3.011 ( -0.838 -0.401 -3.011) 3.151 3.275 ( -0.011 -4.867 1.667) 5.145 3.311 ( -0.970 -8.911 0.810) 9.000 3.438 ( 5.397 -16.035 -0.038) 16.919 3.551 ( 0.273 -9.675 -0.336) 9.685 3.819 ( 1.118 4.510 4.097) 6.195 3.926 ( -3.053 4.769 7.738) 9.589 4.064 ( 0.247 12.740 7.412) 14.741 4.108 ( -0.564 10.034 4.377) 10.962 4.271 ( 4.875 -8.786 -1.809) 10.209 4.383 ( 0.506 11.604 3.140) 12.032 4.489 ( 1.212 6.399 2.672) 7.040 4.579 ( -6.313 -0.497 -0.475) 6.350 4.750 ( 2.225 -1.599 -1.192) 2.988 4.869 ( -3.595 1.217 10.009) 10.704 5.223 ( 2.414 13.831 -12.690) 18.925 5.378 ( -4.116 16.999 -6.800) 18.766 6.669 ( 2.727 -1.738 30.437) 30.609 6.800 ( -3.129 -0.989 28.043) 28.234 6.900 ( 1.809 -7.554 26.902) 28.001 6.972 ( -0.663 -7.462 31.624) 32.500 7.346 ( 6.872 0.900 10.490) 12.573 7.617 ( -4.872 -2.093 7.329) 9.046 7.713 ( 3.932 9.178 6.236) 11.773 7.863 ( -1.521 6.496 5.456) 8.619 8.149 ( 3.107 -2.326 -1.838) 4.294 8.412 ( -8.148 -14.239 0.670) 16.419 8.816 ( 0.638 -4.784 -5.083) 7.010 8.864 ( -1.555 -7.469 -2.709) 8.096 8.979 ( 7.868 -6.017 -6.828) 12.030 9.278 ( 0.489 -13.580 -5.172) 14.540 9.313 ( -6.003 -2.242 -5.500) 8.444 9.360 ( -2.344 -4.775 -3.695) 6.477 10.031 ( 4.240 9.698 -7.398) 12.913 10.206 ( -4.500 4.645 -11.977) 13.612 10.415 ( 6.356 0.450 -14.723) 16.042 10.579 ( -2.077 -3.551 -18.621) 19.070 11.131 ( 0.601 11.552 -7.581) 13.831 11.187 ( 0.566 10.547 -3.963) 11.281 11.243 ( 1.349 12.603 -6.730) 14.351 11.358 ( -1.872 10.955 -0.584) 11.129 11.705 ( 1.261 15.805 -10.765) 19.164 11.797 ( -2.195 3.852 -14.769) 15.420 12.095 ( 3.421 1.356 -7.725) 8.557 12.241 ( -2.642 -5.615 -11.624) 13.177 13.248 ( 0.181 -10.830 6.051) 12.408 13.261 ( -0.394 -10.342 6.295) 12.114 13.612 ( 1.825 -15.994 0.851) 16.121 13.705 ( -2.086 -15.436 -3.434) 15.950 14.249 ( 0.569 12.091 -2.192) 12.302 14.263 ( 0.396 7.918 -2.859) 8.428 14.324 ( 0.042 10.462 -4.500) 11.389 14.361 ( -1.140 5.367 -5.974) 8.111 17.540 ( 3.016 1.137 27.152) 27.343 17.722 ( -4.885 0.343 24.051) 24.544 18.480 ( 1.447 -19.959 8.168) 21.614 18.545 ( -1.382 -18.820 8.683) 20.773 19.457 ( 1.188 24.691 9.020) 26.314 19.514 ( -1.216 25.356 7.343) 26.426 21.003 ( 0.185 0.566 -25.466) 25.473 21.014 ( -0.282 0.552 -25.018) 25.025 22.303 ( 2.752 -5.479 8.025) 10.099 22.442 ( -3.164 -4.486 6.377) 8.414 23.008 ( 4.377 -8.163 -10.617) 14.090 23.174 ( -2.793 -8.933 -13.551) 16.470 28.983 ( 0.718 2.012 3.267) 3.903 29.017 ( -0.767 2.316 2.358) 3.393 29.041 ( 0.079 0.799 0.761) 1.106 29.043 ( -0.012 1.211 1.065) 1.613 29.872 ( 1.100 3.263 11.059) 11.583 29.934 ( -1.600 3.687 11.699) 12.370 30.343 ( 1.589 -1.894 0.276) 2.487 30.417 ( -1.882 -2.758 2.533) 4.191 30.532 ( 0.785 1.786 10.226) 10.410 30.570 ( -0.693 3.269 2.389) 4.108 30.855 ( 2.971 -2.710 12.716) 13.337 30.947 ( -0.390 -3.032 6.217) 6.928 31.380 ( -1.959 -4.643 -4.972) 7.079 31.394 ( -1.900 -5.055 -4.601) 7.095 31.494 ( 1.544 -7.437 -2.180) 7.902 31.560 ( -2.018 -7.596 -4.603) 9.108 31.866 ( 4.131 6.934 -4.904) 9.445 31.984 ( -1.407 5.107 -7.361) 9.069 32.031 ( 1.191 7.714 -10.910) 13.415 32.093 ( -1.264 5.786 -22.072) 22.853 ======================= Grid point 147 (54/72) ======================= q-point: (-0.50 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -2.889 -0.453 11.210) 11.585 1.717 ( 2.889 -0.453 11.210) 11.585 1.937 ( -6.161 -3.863 9.279) 11.789 1.937 ( 6.161 -3.863 9.279) 11.789 2.442 ( -0.814 -12.304 1.236) 12.392 2.442 ( 0.814 -12.304 1.236) 12.392 2.641 ( -1.987 -0.160 4.757) 5.157 2.641 ( 1.987 -0.160 4.757) 5.157 2.772 ( -3.424 -1.508 0.172) 3.745 2.772 ( 3.424 -1.508 0.172) 3.745 2.941 ( -5.761 1.953 -4.989) 7.867 2.941 ( 5.761 1.953 -4.989) 7.867 3.291 ( -1.226 -6.669 0.765) 6.824 3.291 ( 1.226 -6.669 0.765) 6.824 3.525 ( -3.356 -13.663 -0.912) 14.099 3.525 ( 3.356 -13.663 -0.912) 14.099 3.863 ( -3.373 4.562 6.307) 8.483 3.863 ( 3.373 4.562 6.307) 8.483 4.082 ( -1.626 10.863 6.846) 12.943 4.082 ( 1.626 10.863 6.846) 12.943 4.372 ( -4.472 1.362 1.717) 4.980 4.372 ( 4.472 1.362 1.717) 4.980 4.497 ( -2.163 2.564 -1.538) 3.691 4.497 ( 2.163 2.564 -1.538) 3.691 4.798 ( -3.428 -0.199 3.763) 5.094 4.798 ( 3.428 -0.199 3.763) 5.094 5.290 ( -4.690 16.706 -9.277) 19.676 5.290 ( 4.690 16.706 -9.277) 19.676 6.732 ( -3.835 -0.816 30.038) 30.292 6.732 ( 3.835 -0.816 30.038) 30.292 6.943 ( -2.375 -7.016 30.031) 30.931 6.943 ( 2.375 -7.016 30.031) 30.931 7.492 ( -8.013 -2.231 8.258) 11.721 7.492 ( 8.013 -2.231 8.258) 11.721 7.802 ( -4.775 10.036 5.516) 12.408 7.802 ( 4.775 10.036 5.516) 12.408 8.254 ( -7.929 -9.431 -0.203) 12.323 8.254 ( 7.929 -9.431 -0.203) 12.323 8.834 ( -1.402 -6.102 -3.708) 7.276 8.834 ( 1.402 -6.102 -3.708) 7.276 9.146 ( -9.496 -4.360 -7.258) 12.723 9.146 ( 9.496 -4.360 -7.258) 12.723 9.319 ( -2.077 -9.268 -3.798) 10.229 9.319 ( 2.077 -9.268 -3.798) 10.229 10.120 ( -4.922 7.116 -9.680) 12.984 10.120 ( 4.922 7.116 -9.680) 12.984 10.519 ( -4.517 -2.146 -17.432) 18.135 10.519 ( 4.517 -2.146 -17.432) 18.135 11.159 ( -2.155 13.500 -6.890) 15.309 11.159 ( 2.155 13.500 -6.890) 15.309 11.304 ( -3.799 9.363 -1.819) 10.267 11.304 ( 3.799 9.363 -1.819) 10.267 11.745 ( -2.911 11.785 -11.776) 16.912 11.745 ( 2.911 11.785 -11.776) 16.912 12.173 ( -4.435 -3.638 -10.821) 12.247 12.173 ( 4.435 -3.638 -10.821) 12.247 13.253 ( -0.396 -10.672 6.164) 12.331 13.253 ( 0.396 -10.672 6.164) 12.331 13.657 ( -2.789 -15.742 -1.064) 16.023 13.657 ( 2.789 -15.742 -1.064) 16.023 14.261 ( -0.567 11.256 -2.443) 11.532 14.261 ( 0.567 11.256 -2.443) 11.532 14.337 ( -1.300 6.760 -5.319) 8.700 14.337 ( 1.300 6.760 -5.319) 8.700 17.620 ( -5.418 0.846 26.116) 26.685 17.620 ( 5.418 0.846 26.116) 26.685 18.513 ( -1.967 -19.413 8.382) 21.237 18.513 ( 1.967 -19.413 8.382) 21.237 19.485 ( -1.695 25.022 8.148) 26.369 19.485 ( 1.695 25.022 8.148) 26.369 21.008 ( -0.317 0.519 -25.222) 25.229 21.008 ( 0.317 0.519 -25.222) 25.229 22.370 ( -4.186 -4.831 7.114) 9.564 22.370 ( 4.186 -4.831 7.114) 9.564 23.100 ( -4.958 -8.693 -12.337) 15.886 23.100 ( 4.958 -8.693 -12.337) 15.886 28.999 ( -1.027 2.167 2.826) 3.707 28.999 ( 1.027 2.167 2.826) 3.707 29.043 ( -0.079 1.013 0.903) 1.359 29.043 ( 0.079 1.013 0.903) 1.359 29.900 ( -1.836 3.461 11.303) 11.962 29.900 ( 1.836 3.461 11.303) 11.962 30.379 ( -2.142 -2.658 1.869) 3.892 30.379 ( 2.142 -2.658 1.869) 3.892 30.551 ( -1.199 2.981 5.557) 6.419 30.551 ( 1.199 2.981 5.557) 6.419 30.916 ( -2.945 -3.050 10.790) 11.593 30.916 ( 2.945 -3.050 10.790) 11.593 31.365 ( -0.628 -4.546 -5.421) 7.102 31.365 ( 0.628 -4.546 -5.421) 7.102 31.525 ( -1.800 -6.995 -2.460) 7.630 31.525 ( 1.800 -6.995 -2.460) 7.630 31.939 ( -3.356 5.332 -7.367) 9.693 31.939 ( 3.356 5.332 -7.367) 9.693 32.062 ( -1.928 6.655 -16.553) 17.945 32.062 ( 1.928 6.655 -16.553) 17.945 ======================= Grid point 150 (55/72) ======================= q-point: ( 0.00 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.000 5.180 -0.390) 5.195 1.815 ( 0.000 0.363 0.072) 0.370 1.993 ( 0.000 -2.208 3.362) 4.023 2.025 ( 0.000 -2.460 8.575) 8.921 2.186 ( 0.000 -7.529 -0.087) 7.530 2.269 ( 0.000 4.733 0.759) 4.793 2.558 ( 0.000 -16.243 -8.563) 18.362 2.632 ( 0.000 0.336 5.438) 5.449 2.720 ( 0.000 -3.713 -2.956) 4.745 2.758 ( 0.000 -0.227 5.737) 5.741 2.822 ( 0.000 -2.297 5.140) 5.630 2.949 ( 0.000 2.544 -3.696) 4.487 3.063 ( 0.000 -11.434 1.994) 11.606 3.176 ( 0.000 -1.907 2.843) 3.423 3.312 ( 0.000 1.535 -3.760) 4.061 3.399 ( 0.000 -5.852 -4.473) 7.366 3.800 ( 0.000 -3.975 -0.685) 4.034 3.909 ( 0.000 -12.480 -4.411) 13.237 3.988 ( 0.000 0.276 6.148) 6.155 4.261 ( 0.000 -1.225 -2.623) 2.895 4.355 ( 0.000 12.415 5.766) 13.689 4.519 ( 0.000 -0.087 2.546) 2.548 4.608 ( 0.000 7.227 5.539) 9.106 4.748 ( 0.000 8.850 1.179) 8.928 4.898 ( 0.000 13.496 9.576) 16.548 5.064 ( 0.000 10.003 18.962) 21.439 5.333 ( 0.000 -1.391 -5.788) 5.953 5.566 ( 0.000 -4.544 1.252) 4.714 6.617 ( 0.000 1.024 24.120) 24.142 6.735 ( 0.000 -4.931 26.083) 26.545 6.821 ( 0.000 0.500 25.294) 25.299 6.834 ( 0.000 -3.324 25.354) 25.571 7.469 ( 0.000 14.314 12.304) 18.875 7.644 ( 0.000 2.326 7.391) 7.748 7.820 ( 0.000 2.212 9.690) 9.939 7.982 ( 0.000 7.177 1.570) 7.347 8.163 ( 0.000 -13.694 4.113) 14.298 8.252 ( 0.000 8.688 -1.293) 8.783 8.565 ( 0.000 -16.512 -2.967) 16.776 8.674 ( 0.000 -8.681 -3.855) 9.498 8.808 ( 0.000 -3.692 -0.692) 3.756 8.932 ( 0.000 -12.880 -2.477) 13.116 9.247 ( 0.000 -5.152 -1.628) 5.403 9.340 ( 0.000 -5.195 -3.357) 6.185 10.251 ( 0.000 11.735 -14.834) 18.914 10.333 ( 0.000 3.944 -21.430) 21.789 10.406 ( 0.000 2.826 -19.576) 19.779 10.562 ( 0.000 -1.533 -22.226) 22.279 11.177 ( 0.000 4.092 0.946) 4.200 11.424 ( 0.000 3.000 -0.800) 3.105 11.519 ( 0.000 2.283 3.732) 4.375 11.577 ( 0.000 7.321 -1.450) 7.463 11.886 ( 0.000 13.969 -18.659) 23.309 12.117 ( 0.000 18.012 -13.382) 22.439 12.192 ( 0.000 4.704 -12.616) 13.465 12.357 ( 0.000 19.742 -11.115) 22.656 12.951 ( 0.000 -15.136 2.894) 15.410 12.975 ( 0.000 -15.043 5.394) 15.981 13.224 ( 0.000 -17.875 0.306) 17.877 13.352 ( 0.000 -19.346 -3.708) 19.698 14.409 ( 0.000 6.628 -0.633) 6.658 14.452 ( 0.000 6.438 -1.516) 6.614 14.500 ( 0.000 5.763 -3.030) 6.511 14.532 ( 0.000 6.327 -3.700) 7.329 17.577 ( 0.000 5.341 22.827) 23.443 17.803 ( 0.000 3.425 19.185) 19.488 18.065 ( 0.000 -16.608 11.910) 20.437 18.199 ( 0.000 -14.565 10.970) 18.234 19.990 ( 0.000 25.395 6.810) 26.292 20.084 ( 0.000 25.526 3.655) 25.786 20.913 ( 0.000 -11.932 -11.553) 16.608 20.930 ( 0.000 -9.013 -14.602) 17.160 22.232 ( 0.000 3.930 -0.263) 3.939 22.438 ( 0.000 3.170 -1.516) 3.514 22.730 ( 0.000 -13.065 -10.391) 16.693 22.939 ( 0.000 -14.345 -13.301) 19.563 29.022 ( 0.000 2.044 2.140) 2.959 29.055 ( 0.000 0.481 0.888) 1.010 29.076 ( 0.000 1.495 0.983) 1.789 29.077 ( 0.000 1.946 1.020) 2.197 29.961 ( 0.000 5.823 11.021) 12.465 30.071 ( 0.000 7.092 12.833) 14.662 30.247 ( 0.000 -5.726 5.974) 8.275 30.371 ( 0.000 -4.314 7.117) 8.322 30.558 ( 0.000 2.272 9.760) 10.021 30.644 ( 0.000 1.542 1.292) 2.012 30.782 ( 0.000 0.083 6.898) 6.898 30.885 ( 0.000 -2.574 4.196) 4.922 31.286 ( 0.000 -5.300 -3.008) 6.094 31.320 ( 0.000 -3.755 -5.713) 6.836 31.323 ( 0.000 -4.486 -5.961) 7.460 31.406 ( 0.000 -7.033 -6.931) 9.875 32.008 ( 0.000 7.671 -3.787) 8.556 32.114 ( 0.000 4.759 -8.698) 9.915 32.149 ( 0.000 3.558 -9.553) 10.194 32.202 ( 0.000 2.774 -17.977) 18.189 ======================= Grid point 151 (56/72) ======================= q-point: ( 0.25 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 2.648 2.582 1.673) 4.059 1.814 ( -9.089 -0.950 6.693) 11.328 1.853 ( 3.453 -0.120 1.861) 3.924 2.090 ( -5.808 -3.688 -0.345) 6.889 2.151 ( 2.469 -6.798 3.169) 7.896 2.304 ( 0.232 5.173 6.051) 7.964 2.527 ( -1.079 -8.422 0.942) 8.543 2.654 ( 3.331 -1.192 -0.489) 3.571 2.719 ( -3.139 -3.734 4.976) 6.968 2.763 ( 3.685 -3.270 -4.267) 6.518 2.884 ( 2.436 3.114 -1.799) 4.343 2.938 ( 2.078 -4.117 -0.404) 4.630 3.126 ( 5.356 -7.863 0.320) 9.520 3.180 ( -0.410 -3.423 2.152) 4.064 3.264 ( -4.483 -2.549 -3.934) 6.487 3.368 ( -3.427 -6.879 -3.734) 8.545 3.803 ( 2.341 -3.073 1.410) 4.112 3.959 ( -2.991 0.372 5.367) 6.155 4.002 ( 7.119 -10.935 -3.884) 13.614 4.214 ( -4.079 -2.949 -0.720) 5.085 4.364 ( 0.763 11.451 5.121) 12.567 4.479 ( -3.891 2.565 2.138) 5.127 4.619 ( 1.331 6.468 2.576) 7.088 4.715 ( -3.083 5.937 -0.193) 6.692 4.918 ( 2.022 14.505 10.552) 18.051 5.024 ( -3.370 11.251 16.429) 20.195 5.387 ( 5.042 -0.410 -3.463) 6.131 5.556 ( -1.799 -2.792 0.233) 3.329 6.643 ( 2.892 0.512 24.689) 24.863 6.766 ( 2.826 -4.455 26.844) 27.358 6.784 ( -3.078 -0.134 24.546) 24.738 6.842 ( -0.212 -2.964 26.580) 26.746 7.480 ( 1.687 11.497 11.761) 16.533 7.611 ( -3.307 3.683 7.915) 9.335 7.869 ( 4.464 -0.204 9.008) 10.056 8.007 ( 1.986 9.074 3.790) 10.032 8.102 ( -4.355 -12.993 2.780) 13.982 8.215 ( -3.798 8.556 -0.565) 9.379 8.613 ( 3.168 -14.383 -1.991) 14.861 8.663 ( -0.913 -9.175 -3.008) 9.698 8.857 ( 5.932 -4.338 -2.349) 7.715 8.979 ( 4.389 -11.556 -3.002) 12.720 9.192 ( -5.498 -6.175 -2.270) 8.574 9.262 ( -7.595 -5.660 -3.453) 10.082 10.258 ( 1.023 10.238 -15.955) 18.984 10.319 ( -1.347 5.701 -20.305) 21.133 10.444 ( 3.164 1.056 -20.827) 21.093 10.543 ( -1.837 -1.485 -22.538) 22.661 11.222 ( 4.567 4.704 1.693) 6.771 11.414 ( -2.753 3.976 1.183) 4.979 11.516 ( 1.515 4.280 1.680) 4.841 11.584 ( -0.075 5.700 -0.150) 5.703 11.912 ( 3.010 13.347 -18.079) 22.673 12.102 ( -3.759 14.426 -12.352) 19.360 12.195 ( 2.584 9.800 -14.314) 17.539 12.338 ( -2.292 18.018 -11.889) 21.708 12.951 ( 0.079 -15.207 3.313) 15.564 12.968 ( -0.678 -15.083 5.103) 15.938 13.242 ( 1.786 -18.099 -0.006) 18.186 13.331 ( -2.078 -19.167 -2.869) 19.491 14.422 ( 1.240 6.633 -0.967) 6.817 14.458 ( 0.422 6.745 -1.668) 6.961 14.492 ( -0.517 5.615 -2.885) 6.334 14.522 ( -1.025 6.262 -3.451) 7.223 17.603 ( 2.759 5.221 22.591) 23.350 17.761 ( -4.101 3.882 20.102) 20.880 18.084 ( 1.952 -16.396 11.746) 20.264 18.178 ( -2.107 -14.971 11.111) 18.762 20.004 ( 1.403 25.420 6.309) 26.228 20.070 ( -1.421 25.512 4.086) 25.876 20.915 ( 0.190 -11.465 -12.045) 16.630 20.927 ( -0.301 -9.410 -14.193) 17.032 22.262 ( 3.143 3.915 -0.474) 5.042 22.408 ( -3.076 3.376 -1.384) 4.772 22.767 ( 3.637 -13.425 -10.961) 17.709 22.914 ( -2.651 -14.310 -13.010) 19.521 29.030 ( 0.814 2.046 1.986) 2.965 29.058 ( 0.289 0.700 0.938) 1.206 29.069 ( -0.714 1.855 1.151) 2.297 29.074 ( -0.309 1.403 0.953) 1.724 29.973 ( 1.334 5.936 11.168) 12.718 30.050 ( -2.016 6.760 12.316) 14.193 30.260 ( 1.307 -5.628 6.576) 8.754 30.340 ( -2.641 -4.635 7.774) 9.429 30.588 ( 2.655 3.172 6.501) 7.705 30.657 ( 0.470 3.642 1.245) 3.878 30.790 ( 1.340 -2.394 8.698) 9.120 30.875 ( -1.287 -3.247 5.582) 6.584 31.277 ( -0.698 -4.422 -4.262) 6.181 31.295 ( -1.562 -2.621 -5.415) 6.215 31.346 ( 1.396 -5.796 -5.437) 8.069 31.396 ( -1.028 -6.777 -6.095) 9.172 32.030 ( 2.169 7.086 -5.329) 9.128 32.109 ( -0.960 5.479 -9.035) 10.610 32.151 ( 0.539 2.982 -10.284) 10.721 32.193 ( -0.958 2.780 -16.575) 16.834 ======================= Grid point 152 (57/72) ======================= q-point: (-0.50 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -6.703 -0.696 5.803) 8.893 1.661 ( 6.703 -0.696 5.803) 8.893 1.961 ( -7.089 -1.353 0.617) 7.243 1.961 ( 7.089 -1.353 0.617) 7.243 2.221 ( -5.617 -1.888 6.368) 8.699 2.221 ( 5.617 -1.888 6.368) 8.699 2.608 ( -6.171 -5.402 1.820) 8.401 2.608 ( 6.171 -5.402 1.820) 8.401 2.747 ( -4.116 2.191 0.876) 4.744 2.747 ( 4.116 2.191 0.876) 4.744 2.960 ( -3.704 -0.716 -5.554) 6.714 2.960 ( 3.704 -0.716 -5.554) 6.714 3.161 ( -2.498 -5.975 -0.221) 6.480 3.161 ( 2.498 -5.975 -0.221) 6.480 3.277 ( -5.962 -8.400 -1.666) 10.434 3.277 ( 5.962 -8.400 -1.666) 10.434 3.880 ( -5.010 -0.920 4.118) 6.550 3.880 ( 5.010 -0.920 4.118) 6.550 4.125 ( -5.684 -7.579 -1.827) 9.648 4.125 ( 5.684 -7.579 -1.827) 9.648 4.401 ( -3.605 8.202 3.655) 9.677 4.401 ( 3.605 8.202 3.655) 9.677 4.658 ( -2.793 4.634 -0.918) 5.488 4.658 ( 2.793 4.634 -0.918) 5.488 4.965 ( -2.919 13.922 13.031) 19.291 4.965 ( 2.919 13.922 13.031) 19.291 5.488 ( -5.207 -0.455 -1.332) 5.394 5.488 ( 5.207 -0.455 -1.332) 5.394 6.714 ( -4.281 0.045 24.996) 25.360 6.714 ( 4.281 0.045 24.996) 25.360 6.818 ( -2.345 -3.706 27.211) 27.562 6.818 ( 2.345 -3.706 27.211) 27.562 7.537 ( -4.137 6.917 9.803) 12.691 7.537 ( 4.137 6.917 9.803) 12.691 7.962 ( -5.304 -3.654 7.894) 10.188 7.962 ( 5.304 -3.654 7.894) 10.188 8.126 ( -5.155 5.944 0.148) 7.870 8.126 ( 5.155 5.944 0.148) 7.870 8.647 ( -0.896 -10.720 -1.894) 10.923 8.647 ( 0.896 -10.720 -1.894) 10.923 9.005 ( -7.066 -6.389 -3.496) 10.147 9.005 ( 7.066 -6.389 -3.496) 10.147 9.126 ( -4.307 -8.259 -3.279) 9.875 9.126 ( 4.307 -8.259 -3.279) 9.875 10.287 ( -1.880 7.882 -18.178) 19.902 10.287 ( 1.880 7.882 -18.178) 19.902 10.500 ( -2.739 -0.806 -22.352) 22.534 10.500 ( 2.739 -0.806 -22.352) 22.534 11.325 ( -5.931 5.141 2.337) 8.190 11.325 ( 5.931 5.141 2.337) 8.190 11.562 ( -2.280 5.203 0.668) 5.720 11.562 ( 2.280 5.203 0.668) 5.720 11.999 ( -6.040 12.338 -15.229) 20.509 11.999 ( 6.040 12.338 -15.229) 20.509 12.272 ( -4.532 14.957 -13.384) 20.576 12.272 ( 4.532 14.957 -13.384) 20.576 12.956 ( -0.488 -15.183 4.278) 15.781 12.956 ( 0.488 -15.183 4.278) 15.781 13.285 ( -2.688 -18.656 -1.180) 18.885 13.285 ( 2.688 -18.656 -1.180) 18.885 14.449 ( -1.403 6.745 -1.602) 7.074 14.449 ( 1.403 6.745 -1.602) 7.074 14.499 ( -1.184 5.931 -2.929) 6.720 14.499 ( 1.184 5.931 -2.929) 6.720 17.674 ( -4.725 4.728 21.675) 22.682 17.674 ( 4.725 4.728 21.675) 22.682 18.130 ( -2.812 -15.791 11.426) 19.693 18.130 ( 2.812 -15.791 11.426) 19.693 20.037 ( -1.992 25.471 5.163) 26.066 20.037 ( 1.992 25.471 5.163) 26.066 20.920 ( -0.359 -10.404 -13.160) 16.780 20.920 ( 0.359 -10.404 -13.160) 16.780 22.336 ( -4.371 3.741 -0.960) 5.833 22.336 ( 4.371 3.741 -0.960) 5.833 22.846 ( -4.386 -14.028 -12.130) 19.057 22.846 ( 4.386 -14.028 -12.130) 19.057 29.049 ( -1.096 2.015 1.610) 2.803 29.049 ( 1.096 2.015 1.610) 2.803 29.067 ( -0.441 1.006 0.903) 1.421 29.067 ( 0.441 1.006 0.903) 1.421 30.008 ( -2.248 6.267 11.605) 13.379 30.008 ( 2.248 6.267 11.605) 13.379 30.293 ( -2.242 -5.262 7.521) 9.449 30.293 ( 2.242 -5.262 7.521) 9.449 30.638 ( -2.304 4.663 2.743) 5.880 30.638 ( 2.304 4.663 2.743) 5.880 30.835 ( -2.876 -4.184 8.508) 9.908 30.835 ( 2.876 -4.184 8.508) 9.908 31.273 ( -0.528 -2.907 -5.276) 6.047 31.273 ( 0.528 -2.907 -5.276) 6.047 31.373 ( -1.412 -6.418 -5.223) 8.394 31.373 ( 1.412 -6.418 -5.223) 8.394 32.076 ( -2.404 6.165 -7.865) 10.278 32.076 ( 2.404 6.165 -7.865) 10.278 32.170 ( -1.356 2.799 -13.317) 13.675 32.170 ( 1.356 2.799 -13.317) 13.675 ======================= Grid point 155 (58/72) ======================= q-point: ( 0.00 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.000 -7.133 -4.080) 8.217 1.736 ( 0.000 7.133 -4.080) 8.217 2.051 ( 0.000 -2.782 0.250) 2.793 2.051 ( 0.000 2.782 0.250) 2.793 2.107 ( 0.000 -12.067 -0.643) 12.084 2.107 ( 0.000 12.067 -0.643) 12.084 2.543 ( 0.000 -10.248 -2.747) 10.610 2.543 ( 0.000 10.248 -2.747) 10.610 2.760 ( 0.000 -8.111 6.590) 10.451 2.760 ( 0.000 8.111 6.590) 10.451 2.769 ( 0.000 -4.420 7.645) 8.831 2.769 ( 0.000 4.421 7.645) 8.831 3.135 ( 0.000 -6.093 -1.801) 6.353 3.135 ( 0.000 6.093 -1.801) 6.353 3.309 ( 0.000 -0.448 -6.844) 6.859 3.309 ( 0.000 0.448 -6.844) 6.859 3.751 ( 0.000 -1.431 -1.457) 2.042 3.751 ( 0.000 1.431 -1.457) 2.042 4.084 ( 0.000 -8.855 0.323) 8.860 4.084 ( 0.000 8.855 0.323) 8.860 4.579 ( 0.000 -4.852 6.076) 7.776 4.579 ( 0.000 4.852 6.076) 7.776 4.724 ( 0.000 -6.424 0.916) 6.489 4.724 ( 0.000 6.424 0.916) 6.489 5.215 ( 0.000 -8.056 5.302) 9.644 5.215 ( 0.000 8.056 5.302) 9.644 5.299 ( 0.000 -16.141 12.075) 20.158 5.299 ( 0.000 16.141 12.075) 20.158 6.659 ( 0.000 -2.338 26.842) 26.943 6.659 ( 0.000 2.338 26.842) 26.943 6.825 ( 0.000 -0.534 23.884) 23.890 6.825 ( 0.000 0.534 23.884) 23.890 7.753 ( 0.000 -6.677 7.745) 10.225 7.753 ( 0.000 6.677 7.745) 10.225 7.839 ( 0.000 -16.826 3.404) 17.166 7.839 ( 0.000 16.826 3.404) 17.166 8.214 ( 0.000 -14.308 1.207) 14.359 8.214 ( 0.000 14.308 1.207) 14.359 8.467 ( 0.000 -10.225 -1.488) 10.333 8.467 ( 0.000 10.225 -1.488) 10.333 8.777 ( 0.000 -1.806 -1.052) 2.090 8.777 ( 0.000 1.806 -1.052) 2.090 9.224 ( 0.000 -3.459 -1.008) 3.603 9.224 ( 0.000 3.459 -1.008) 3.603 10.412 ( 0.000 -2.203 -21.586) 21.698 10.412 ( 0.000 2.203 -21.586) 21.698 10.466 ( 0.000 -7.481 -20.516) 21.837 10.466 ( 0.000 7.481 -20.516) 21.837 11.327 ( 0.000 -8.030 -0.860) 8.076 11.327 ( 0.000 8.030 -0.860) 8.076 11.566 ( 0.000 -3.419 -0.768) 3.504 11.566 ( 0.000 3.419 -0.768) 3.504 12.238 ( 0.000 -11.493 -14.962) 18.866 12.238 ( 0.000 11.493 -14.962) 18.866 12.498 ( 0.000 -16.803 -10.406) 19.764 12.498 ( 0.000 16.803 -10.406) 19.764 12.873 ( 0.000 -10.728 3.041) 11.151 12.873 ( 0.000 10.728 3.041) 11.151 12.904 ( 0.000 -20.126 -0.532) 20.133 12.904 ( 0.000 20.126 -0.532) 20.133 14.505 ( 0.000 -1.460 -0.504) 1.544 14.505 ( 0.000 1.460 -0.504) 1.544 14.585 ( 0.000 -1.295 -2.505) 2.820 14.585 ( 0.000 1.295 -2.505) 2.820 17.758 ( 0.000 -11.458 16.915) 20.431 17.758 ( 0.000 11.458 16.915) 20.431 17.939 ( 0.000 -9.250 14.658) 17.333 17.939 ( 0.000 9.250 14.658) 17.333 20.520 ( 0.000 -22.694 1.239) 22.727 20.520 ( 0.000 22.694 1.239) 22.727 20.597 ( 0.000 -20.784 -2.615) 20.948 20.597 ( 0.000 20.784 -2.615) 20.948 22.435 ( 0.000 -13.086 -8.578) 15.647 22.435 ( 0.000 13.086 -8.578) 15.647 22.627 ( 0.000 -13.086 -10.033) 16.490 22.627 ( 0.000 13.086 -10.033) 16.490 29.053 ( 0.000 -0.718 1.236) 1.430 29.053 ( 0.000 0.718 1.236) 1.430 29.097 ( 0.000 -0.170 0.748) 0.767 29.097 ( 0.000 0.170 0.748) 0.767 30.103 ( 0.000 -7.011 9.726) 11.990 30.103 ( 0.000 7.011 9.726) 11.990 30.237 ( 0.000 -7.631 11.736) 13.999 30.237 ( 0.000 7.631 11.736) 13.999 30.617 ( 0.000 -2.774 5.986) 6.597 30.617 ( 0.000 2.774 5.986) 6.597 30.832 ( 0.000 -2.784 3.311) 4.326 30.832 ( 0.000 2.784 3.311) 4.326 31.241 ( 0.000 -1.780 -6.033) 6.290 31.241 ( 0.000 1.780 -6.033) 6.290 31.306 ( 0.000 -2.046 -5.804) 6.154 31.306 ( 0.000 2.046 -5.804) 6.154 32.130 ( 0.000 -3.108 -6.333) 7.055 32.130 ( 0.000 3.108 -6.333) 7.055 32.213 ( 0.000 -1.803 -13.412) 13.532 32.213 ( 0.000 1.803 -13.412) 13.532 ======================= Grid point 157 (59/72) ======================= q-point: ( 0.25 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 0.310 -9.156 -2.566) 9.514 1.735 ( 0.310 9.156 -2.566) 9.514 1.886 ( -8.418 -8.617 3.432) 12.526 1.886 ( -8.418 8.617 3.432) 12.526 2.264 ( 7.830 -10.914 -1.300) 13.496 2.264 ( 7.830 10.914 -1.300) 13.496 2.543 ( -5.318 -10.242 1.580) 11.648 2.543 ( -5.318 10.242 1.580) 11.648 2.698 ( 5.891 -4.062 2.077) 7.451 2.698 ( 5.891 4.062 2.077) 7.451 2.904 ( 6.088 -3.305 3.083) 7.583 2.904 ( 6.088 3.305 3.083) 7.583 3.094 ( -3.326 -6.847 -1.646) 7.788 3.094 ( -3.326 6.847 -1.646) 7.788 3.252 ( -5.653 -4.122 -3.289) 7.731 3.252 ( -5.653 4.123 -3.289) 7.731 3.818 ( 6.202 -5.021 -1.473) 8.115 3.818 ( 6.202 5.021 -1.473) 8.115 4.043 ( -4.194 -7.955 0.605) 9.013 4.043 ( -4.194 7.955 0.605) 9.013 4.577 ( 0.304 -4.778 4.237) 6.393 4.577 ( 0.304 4.778 4.237) 6.393 4.681 ( -3.959 -5.590 0.752) 6.892 4.681 ( -3.959 5.590 0.752) 6.892 5.244 ( 2.798 -11.192 6.569) 13.275 5.244 ( 2.798 11.192 6.569) 13.275 5.313 ( 0.588 -16.167 10.446) 19.257 5.313 ( 0.588 16.167 10.446) 19.257 6.688 ( 2.978 -2.997 26.435) 26.770 6.688 ( 2.978 2.997 26.435) 26.770 6.808 ( -1.952 -1.582 24.180) 24.310 6.808 ( -1.952 1.582 24.180) 24.310 7.749 ( -0.288 -7.475 7.664) 10.709 7.749 ( -0.288 7.475 7.664) 10.709 7.797 ( -3.260 -14.206 4.784) 15.340 7.797 ( -3.260 14.206 4.784) 15.340 8.281 ( 5.725 -14.874 1.057) 15.973 8.281 ( 5.725 14.874 1.057) 15.973 8.444 ( -2.364 -10.834 -0.589) 11.104 8.444 ( -2.364 10.834 -0.589) 11.104 8.831 ( 5.708 -2.450 -1.930) 6.505 8.831 ( 5.708 2.450 -1.930) 6.505 9.147 ( -7.692 -2.861 -1.545) 8.351 9.147 ( -7.692 2.861 -1.545) 8.351 10.419 ( 0.735 -3.704 -21.778) 22.102 10.419 ( 0.735 3.704 -21.778) 22.102 10.457 ( -0.887 -6.589 -21.102) 22.124 10.457 ( -0.887 6.589 -21.102) 22.124 11.376 ( 4.664 -7.865 -0.176) 9.146 11.376 ( 4.664 7.865 -0.176) 9.146 11.542 ( -2.624 -4.674 -0.303) 5.368 11.542 ( -2.624 4.674 -0.303) 5.368 12.273 ( 3.738 -12.660 -14.775) 19.813 12.273 ( 3.738 12.660 -14.775) 19.813 12.460 ( -4.019 -16.316 -11.607) 20.423 12.460 ( -4.019 16.316 -11.607) 20.423 12.876 ( 0.291 -11.698 2.832) 12.039 12.876 ( 0.291 11.698 2.832) 12.039 12.897 ( -0.668 -18.335 0.454) 18.353 12.897 ( -0.668 18.335 0.454) 18.353 14.517 ( 1.249 -1.424 -0.830) 2.068 14.517 ( 1.249 1.424 -0.830) 2.068 14.574 ( -1.142 -1.307 -2.241) 2.834 14.574 ( -1.142 1.307 -2.241) 2.834 17.781 ( 2.384 -11.246 16.704) 20.278 17.781 ( 2.384 11.246 16.704) 20.278 17.908 ( -3.063 -9.702 15.128) 18.230 17.908 ( -3.063 9.702 15.128) 18.230 20.531 ( 1.143 -22.401 0.617) 22.438 20.531 ( 1.143 22.401 0.617) 22.438 20.585 ( -1.159 -21.054 -2.099) 21.190 20.585 ( -1.159 21.054 -2.099) 21.190 22.466 ( 3.118 -13.208 -8.848) 16.200 22.466 ( 3.118 13.208 -8.848) 16.200 22.601 ( -2.665 -13.199 -9.868) 16.694 22.601 ( -2.665 13.199 -9.868) 16.694 29.060 ( 0.681 -0.600 1.162) 1.474 29.060 ( 0.681 0.600 1.162) 1.474 29.091 ( -0.620 -0.125 0.815) 1.031 29.091 ( -0.620 0.125 0.815) 1.031 30.117 ( 1.482 -6.940 9.932) 12.207 30.117 ( 1.482 6.940 9.932) 12.207 30.209 ( -2.661 -7.187 11.263) 13.623 30.209 ( -2.661 7.187 11.263) 13.623 30.658 ( 3.949 -2.842 5.827) 7.591 30.658 ( 3.949 2.842 5.827) 7.591 30.807 ( -2.618 -3.033 3.824) 5.539 30.807 ( -2.618 3.033 3.824) 5.539 31.248 ( 0.787 -2.171 -5.867) 6.305 31.248 ( 0.787 2.171 -5.867) 6.305 31.294 ( -1.179 -2.326 -5.660) 6.232 31.294 ( -1.179 2.326 -5.660) 6.232 32.143 ( 1.365 -2.838 -7.592) 8.219 32.143 ( 1.365 2.838 -7.592) 8.219 32.202 ( -1.132 -1.934 -12.553) 12.751 32.202 ( -1.132 1.934 -12.553) 12.751 ======================= Grid point 159 (60/72) ======================= q-point: (-0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -4.019 -9.916 1.821) 10.854 1.771 ( 4.019 -9.916 1.821) 10.853 1.771 ( -4.019 9.916 1.821) 10.853 1.771 ( 4.019 9.916 1.821) 10.854 2.402 ( -7.768 -11.905 2.017) 14.358 2.402 ( 7.516 -11.864 2.017) 14.189 2.402 ( -7.516 11.864 2.017) 14.189 2.402 ( 7.768 11.905 2.017) 14.358 2.874 ( -8.066 -6.765 -2.848) 10.905 2.874 ( 1.200 -5.464 -2.848) 6.277 2.874 ( -1.200 5.464 -2.848) 6.278 2.874 ( 8.066 6.765 -2.848) 10.905 3.128 ( -6.734 -3.990 0.979) 7.888 3.128 ( 4.996 -3.290 0.979) 6.062 3.128 ( -4.996 3.290 0.979) 6.062 3.128 ( 6.734 3.990 0.979) 7.888 3.941 ( -6.448 -6.865 -0.059) 9.419 3.941 ( 6.150 -6.796 -0.059) 9.166 3.941 ( -6.150 6.796 -0.059) 9.166 3.941 ( 6.448 6.865 -0.059) 9.419 4.609 ( -2.272 -7.988 1.489) 8.437 4.609 ( 1.488 -7.942 1.489) 8.216 4.609 ( -1.488 7.942 1.489) 8.216 4.609 ( 2.272 7.988 1.489) 8.437 5.297 ( -2.289 -14.659 8.328) 17.014 5.297 ( 2.287 -14.659 8.328) 17.014 5.297 ( -2.287 14.659 8.328) 17.014 5.297 ( 2.289 14.659 8.328) 17.014 6.754 ( -3.624 -2.881 25.241) 25.662 6.754 ( 3.125 -2.731 25.241) 25.580 6.754 ( -3.125 2.731 25.241) 25.580 6.754 ( 3.624 2.881 25.241) 25.662 7.754 ( -0.990 -11.552 6.793) 13.438 7.754 ( 0.959 -11.551 6.793) 13.435 7.754 ( -0.959 11.551 6.793) 13.435 7.754 ( 0.990 11.552 6.793) 13.438 8.380 ( -4.477 -13.359 0.644) 14.104 8.380 ( 4.402 -13.353 0.644) 14.075 8.380 ( -4.402 13.353 0.644) 14.075 8.380 ( 4.477 13.359 0.644) 14.104 8.977 ( -8.567 -3.544 -2.404) 9.578 8.977 ( -5.581 -1.414 -2.404) 6.239 8.977 ( 5.581 1.414 -2.404) 6.239 8.977 ( 8.567 3.544 -2.404) 9.578 10.437 ( -1.100 -5.294 -21.789) 22.450 10.437 ( 1.091 -5.294 -21.789) 22.449 10.437 ( -1.091 5.294 -21.789) 22.449 10.437 ( 1.100 5.294 -21.789) 22.450 11.471 ( -4.451 -7.955 0.298) 9.121 11.471 ( 3.443 -7.829 0.298) 8.558 11.471 ( -3.443 7.829 0.298) 8.558 11.471 ( 4.451 7.955 0.298) 9.121 12.365 ( -5.656 -14.798 -13.676) 20.929 12.365 ( 5.653 -14.798 -13.676) 20.928 12.365 ( -5.653 14.798 -13.676) 20.928 12.365 ( 5.656 14.798 -13.676) 20.929 12.884 ( -0.604 -15.084 2.012) 15.230 12.884 ( 0.602 -15.084 2.012) 15.230 12.884 ( -0.602 15.084 2.012) 15.230 12.884 ( 0.604 15.084 2.012) 15.230 14.546 ( -1.563 -1.582 -1.566) 2.720 14.546 ( 0.849 -1.440 -1.566) 2.291 14.546 ( -0.849 1.440 -1.566) 2.291 14.546 ( 1.563 1.582 -1.566) 2.720 17.840 ( -3.792 -10.702 16.044) 19.655 17.840 ( 3.762 -10.699 16.044) 19.648 17.840 ( -3.762 10.699 16.044) 19.648 17.840 ( 3.792 10.702 16.044) 19.655 20.558 ( -1.625 -21.720 -0.793) 21.796 20.558 ( 1.625 -21.720 -0.793) 21.796 20.558 ( -1.625 21.720 -0.793) 21.796 20.558 ( 1.625 21.720 -0.793) 21.796 22.536 ( -4.062 -13.337 -9.410) 16.820 22.536 ( 4.058 -13.337 -9.410) 16.819 22.536 ( -4.058 13.337 -9.410) 16.819 22.536 ( 4.062 13.337 -9.410) 16.820 29.076 ( -0.902 -0.347 0.985) 1.379 29.076 ( -0.598 0.082 0.985) 1.155 29.076 ( 0.598 -0.082 0.985) 1.155 29.076 ( 0.902 0.347 0.985) 1.379 30.156 ( -2.632 -7.016 10.498) 12.898 30.156 ( 2.587 -7.011 10.498) 12.886 30.156 ( -2.587 7.011 10.498) 12.886 30.156 ( 2.632 7.016 10.498) 12.898 30.740 ( -3.747 -4.438 4.972) 7.646 30.740 ( 1.193 -4.068 4.972) 6.533 30.740 ( -1.193 4.068 4.972) 6.533 30.740 ( 3.747 4.438 4.972) 7.646 31.269 ( -1.347 -2.639 -5.617) 6.350 31.269 ( 1.286 -2.631 -5.617) 6.334 31.269 ( -1.286 2.631 -5.617) 6.334 31.269 ( 1.347 2.639 -5.617) 6.350 32.174 ( -1.709 -2.425 -10.269) 10.688 32.174 ( 1.557 -2.399 -10.269) 10.659 32.174 ( -1.557 2.399 -10.269) 10.659 32.174 ( 1.709 2.425 -10.269) 10.688 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 0.000 0.000 5.573) 5.573 1.937 ( 0.000 0.000 -8.279) 8.279 2.087 ( 0.000 0.000 9.378) 9.378 2.200 ( 0.000 0.000 -2.550) 2.550 2.516 ( 0.000 0.000 10.487) 10.487 2.583 ( 0.000 0.000 -0.056) 0.056 2.682 ( 0.000 0.000 5.545) 5.545 2.733 ( 0.000 0.000 5.396) 5.396 2.802 ( 0.000 0.000 -6.632) 6.632 2.844 ( 0.000 0.000 -2.457) 2.457 2.890 ( 0.000 0.000 4.323) 4.323 2.978 ( 0.000 0.000 -4.146) 4.146 3.471 ( 0.000 0.000 3.784) 3.784 3.564 ( 0.000 0.000 -5.023) 5.023 3.669 ( 0.000 0.000 0.402) 0.402 3.673 ( 0.000 0.000 -0.053) 0.053 3.813 ( 0.000 0.000 2.973) 2.973 3.886 ( 0.000 0.000 -4.596) 4.596 3.978 ( 0.000 0.000 21.629) 21.629 4.107 ( 0.000 0.000 17.945) 17.945 4.316 ( 0.000 0.000 0.777) 0.777 4.387 ( 0.000 0.000 2.993) 2.993 4.424 ( 0.000 0.000 -21.816) 21.816 4.528 ( 0.000 0.000 1.029) 1.029 4.563 ( 0.000 0.000 -2.157) 2.157 4.576 ( 0.000 0.000 -20.167) 20.167 5.070 ( 0.000 0.000 4.918) 4.918 5.128 ( 0.000 0.000 -1.563) 1.563 7.266 ( 0.000 0.000 22.234) 22.234 7.378 ( 0.000 0.000 4.815) 4.815 7.384 ( 0.000 0.000 7.090) 7.090 7.405 ( 0.000 0.000 23.920) 23.920 7.480 ( 0.000 0.000 -2.438) 2.438 7.686 ( 0.000 0.000 20.427) 20.427 7.744 ( 0.000 0.000 -9.779) 9.779 7.849 ( 0.000 0.000 0.590) 0.590 8.283 ( 0.000 0.000 18.760) 18.760 8.706 ( 0.000 0.000 -19.205) 19.205 8.773 ( 0.000 0.000 8.916) 8.916 8.837 ( 0.000 0.000 8.174) 8.174 8.989 ( 0.000 0.000 6.742) 6.742 9.091 ( 0.000 0.000 -19.938) 19.938 9.149 ( 0.000 0.000 -20.204) 20.204 9.216 ( 0.000 0.000 -13.914) 13.914 9.931 ( 0.000 0.000 5.593) 5.593 10.076 ( 0.000 0.000 -9.284) 9.284 10.320 ( 0.000 0.000 4.571) 4.571 10.449 ( 0.000 0.000 -9.162) 9.162 10.780 ( 0.000 0.000 2.960) 2.960 10.903 ( 0.000 0.000 3.388) 3.388 10.940 ( 0.000 0.000 -10.736) 10.736 11.058 ( 0.000 0.000 -10.236) 10.236 11.435 ( 0.000 0.000 3.463) 3.463 11.586 ( 0.000 0.000 -11.331) 11.331 12.063 ( 0.000 0.000 3.830) 3.830 12.167 ( 0.000 0.000 -7.011) 7.011 13.573 ( 0.000 0.000 11.589) 11.589 13.582 ( 0.000 0.000 11.576) 11.576 13.801 ( 0.000 0.000 -11.122) 11.122 13.810 ( 0.000 0.000 -11.218) 11.218 14.022 ( 0.000 0.000 6.599) 6.599 14.080 ( 0.000 0.000 0.896) 0.896 14.101 ( 0.000 0.000 -2.754) 2.754 14.163 ( 0.000 0.000 -6.701) 6.701 18.037 ( 0.000 0.000 25.510) 25.510 18.222 ( 0.000 0.000 21.470) 21.470 18.502 ( 0.000 0.000 -21.947) 21.947 18.621 ( 0.000 0.000 -19.491) 19.491 19.674 ( 0.000 0.000 36.293) 36.293 19.714 ( 0.000 0.000 35.726) 35.726 20.366 ( 0.000 0.000 -33.806) 33.806 20.391 ( 0.000 0.000 -32.980) 32.980 22.581 ( 0.000 0.000 12.611) 12.611 22.732 ( 0.000 0.000 12.159) 12.159 22.833 ( 0.000 0.000 -12.497) 12.497 23.005 ( 0.000 0.000 -15.256) 15.256 29.008 ( 0.000 0.000 1.865) 1.865 29.031 ( 0.000 0.000 1.050) 1.050 29.031 ( 0.000 0.000 -0.546) 0.546 29.041 ( 0.000 0.000 0.023) 0.023 30.044 ( 0.000 0.000 10.786) 10.786 30.129 ( 0.000 0.000 10.714) 10.714 30.229 ( 0.000 0.000 -7.702) 7.702 30.321 ( 0.000 0.000 -8.742) 8.742 30.692 ( 0.000 0.000 5.919) 5.919 30.721 ( 0.000 0.000 4.365) 4.365 31.116 ( 0.000 0.000 11.524) 11.524 31.125 ( 0.000 0.000 13.149) 13.149 31.334 ( 0.000 0.000 -7.078) 7.078 31.395 ( 0.000 0.000 -11.256) 11.256 31.539 ( 0.000 0.000 -8.204) 8.204 31.553 ( 0.000 0.000 -13.447) 13.447 31.672 ( 0.000 0.000 5.136) 5.136 31.726 ( 0.000 0.000 3.903) 3.903 31.775 ( 0.000 0.000 -4.614) 4.614 31.814 ( 0.000 0.000 -5.428) 5.428 ======================= Grid point 176 (62/72) ======================= q-point: ( 0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 4.629 0.000 9.585) 10.644 1.999 ( 3.110 0.000 -5.263) 6.113 2.125 ( 3.472 0.000 8.002) 8.723 2.203 ( -0.023 0.000 -0.281) 0.282 2.465 ( -1.789 0.000 9.336) 9.506 2.602 ( -0.185 0.000 -4.118) 4.123 2.693 ( 1.276 0.000 3.719) 3.932 2.727 ( -0.131 0.000 4.561) 4.563 2.780 ( -2.227 0.000 -5.103) 5.568 2.817 ( -2.914 0.000 -1.954) 3.509 2.872 ( -1.243 0.000 2.829) 3.090 2.938 ( -4.050 0.000 -4.176) 5.817 3.457 ( -0.055 0.000 3.932) 3.932 3.522 ( -2.825 0.000 -2.103) 3.522 3.722 ( 3.647 0.000 -1.039) 3.792 3.724 ( 3.603 0.000 -0.920) 3.718 3.845 ( 3.511 0.000 4.074) 5.378 3.924 ( 2.830 0.000 -3.196) 4.269 3.996 ( 1.979 0.000 20.469) 20.565 4.086 ( -2.267 0.000 17.887) 18.030 4.257 ( -3.989 0.000 2.369) 4.640 4.355 ( -3.913 0.000 -2.984) 4.920 4.451 ( 2.272 0.000 -19.171) 19.305 4.548 ( -2.549 0.000 -20.674) 20.830 4.555 ( 3.046 0.000 1.964) 3.624 4.594 ( 2.549 0.000 -1.648) 3.036 5.024 ( -3.962 0.000 3.660) 5.394 5.067 ( -5.649 0.000 -1.161) 5.767 7.283 ( 1.713 0.000 22.807) 22.871 7.369 ( -2.541 0.000 22.611) 22.753 7.424 ( 5.768 0.000 10.205) 11.722 7.479 ( 8.111 0.000 3.391) 8.791 7.544 ( 5.222 0.000 -2.062) 5.614 7.654 ( -3.557 0.000 19.122) 19.450 7.717 ( -2.830 0.000 -8.711) 9.159 7.792 ( -5.933 0.000 1.648) 6.157 8.327 ( 4.668 0.000 16.195) 16.855 8.608 ( -8.049 0.000 -0.217) 8.052 8.834 ( 4.534 0.000 -9.065) 10.136 8.855 ( 1.898 0.000 7.863) 8.089 8.960 ( -2.735 0.000 6.599) 7.143 9.038 ( -5.072 0.000 -18.947) 19.614 9.162 ( 1.237 0.000 -18.994) 19.034 9.209 ( -0.805 0.000 -14.929) 14.950 9.963 ( 3.009 0.000 3.800) 4.847 10.065 ( -1.388 0.000 -6.036) 6.193 10.345 ( 2.414 0.000 1.054) 2.634 10.435 ( -1.477 0.000 -8.071) 8.205 10.793 ( 1.365 0.000 2.697) 3.023 10.871 ( -2.373 0.000 1.180) 2.650 10.972 ( 2.295 0.000 -8.495) 8.799 11.046 ( -1.284 0.000 -9.962) 10.045 11.467 ( 3.135 0.000 2.266) 3.868 11.577 ( -1.219 0.000 -8.340) 8.428 12.070 ( 0.924 0.000 1.498) 1.760 12.147 ( -2.079 0.000 -6.248) 6.584 13.573 ( 0.069 0.000 11.522) 11.522 13.580 ( -0.197 0.000 11.505) 11.507 13.803 ( 0.210 0.000 -11.063) 11.065 13.810 ( -0.073 0.000 -11.139) 11.139 14.028 ( 0.616 0.000 5.939) 5.971 14.066 ( -1.136 0.000 1.963) 2.268 14.115 ( 1.125 0.000 -3.513) 3.688 14.156 ( -0.763 0.000 -6.242) 6.288 18.060 ( 2.413 0.000 25.129) 25.244 18.190 ( -3.172 0.000 22.273) 22.498 18.519 ( 1.734 0.000 -21.626) 21.696 18.603 ( -1.876 0.000 -19.926) 20.014 19.680 ( 0.594 0.000 36.212) 36.217 19.708 ( -0.599 0.000 35.811) 35.816 20.369 ( 0.382 0.000 -33.686) 33.688 20.387 ( -0.378 0.000 -33.102) 33.105 22.596 ( 1.641 0.000 12.248) 12.358 22.697 ( -2.966 0.000 10.405) 10.819 22.874 ( 3.475 0.000 -11.221) 11.747 22.989 ( -1.791 0.000 -14.631) 14.740 29.012 ( 0.335 0.000 1.751) 1.783 29.028 ( -0.348 0.000 1.179) 1.229 29.033 ( 0.145 0.000 -0.468) 0.490 29.039 ( -0.133 0.000 -0.071) 0.151 30.052 ( 0.870 0.000 10.510) 10.546 30.108 ( -1.801 0.000 9.749) 9.914 30.251 ( 1.895 0.000 -6.887) 7.143 30.312 ( -0.964 0.000 -8.333) 8.389 30.690 ( -0.136 0.000 5.813) 5.815 30.709 ( -1.089 0.000 4.849) 4.970 31.136 ( 1.931 0.000 10.087) 10.270 31.154 ( 2.401 0.000 12.871) 13.093 31.318 ( -1.007 0.000 -6.161) 6.243 31.382 ( -1.891 0.000 -5.038) 5.382 31.531 ( 0.086 0.000 -13.873) 13.874 31.558 ( -0.146 0.000 -13.603) 13.604 31.677 ( 0.584 0.000 4.925) 4.960 31.713 ( -1.084 0.000 3.798) 3.949 31.785 ( 0.869 0.000 -4.439) 4.523 31.810 ( -0.361 0.000 -5.270) 5.283 ======================= Grid point 177 (63/72) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -6.990 0.000 9.005) 11.399 1.953 ( 6.990 0.000 9.005) 11.399 2.184 ( -2.298 0.000 4.337) 4.909 2.184 ( 2.298 0.000 4.337) 4.909 2.528 ( -6.801 0.000 -4.004) 7.892 2.528 ( 6.801 0.000 -4.004) 7.892 2.731 ( -2.695 0.000 -0.878) 2.834 2.731 ( 2.695 0.000 -0.878) 2.834 2.754 ( -3.077 0.000 1.300) 3.341 2.754 ( 3.077 0.000 1.300) 3.341 2.873 ( -1.867 0.000 -0.528) 1.940 2.873 ( 1.867 0.000 -0.528) 1.940 3.478 ( -1.956 0.000 1.341) 2.372 3.478 ( 1.956 0.000 1.341) 2.372 3.761 ( -0.158 0.000 -1.404) 1.413 3.761 ( 0.158 0.000 -1.404) 1.413 3.924 ( -3.572 0.000 3.658) 5.113 3.924 ( 3.572 0.000 3.658) 5.113 4.038 ( -2.203 0.000 18.145) 18.278 4.038 ( 2.203 0.000 18.145) 18.278 4.259 ( -4.646 0.000 -2.729) 5.388 4.259 ( 4.646 0.000 -2.729) 5.388 4.498 ( -2.686 0.000 -20.151) 20.329 4.498 ( 2.686 0.000 -20.151) 20.329 4.613 ( -1.633 0.000 1.007) 1.919 4.613 ( 1.633 0.000 1.007) 1.919 4.984 ( -1.337 0.000 0.649) 1.486 4.984 ( 1.337 0.000 0.649) 1.486 7.323 ( -2.415 0.000 23.457) 23.581 7.323 ( 2.415 0.000 23.457) 23.581 7.553 ( -6.848 0.000 14.700) 16.217 7.553 ( 6.848 0.000 14.700) 16.217 7.643 ( -5.013 0.000 -5.791) 7.660 7.643 ( 5.014 0.000 -5.791) 7.660 7.648 ( -8.982 0.000 3.114) 9.506 7.648 ( 8.982 0.000 3.114) 9.506 8.450 ( -8.231 0.000 9.798) 12.796 8.450 ( 8.231 0.000 9.798) 12.796 8.903 ( -3.116 0.000 7.151) 7.800 8.903 ( 3.116 0.000 7.151) 7.800 8.931 ( -5.907 0.000 -16.069) 17.120 8.931 ( 5.907 0.000 -16.069) 17.120 9.188 ( -1.384 0.000 -17.010) 17.066 9.188 ( 1.384 0.000 -17.010) 17.066 10.023 ( -3.021 0.000 -0.462) 3.056 10.023 ( 3.021 0.000 -0.462) 3.056 10.395 ( -2.699 0.000 -4.599) 5.332 10.395 ( 2.699 0.000 -4.599) 5.332 10.827 ( -2.214 0.000 1.944) 2.947 10.827 ( 2.214 0.000 1.944) 2.947 11.013 ( -2.105 0.000 -9.212) 9.449 11.013 ( 2.105 0.000 -9.212) 9.449 11.533 ( -3.427 0.000 -2.023) 3.980 11.533 ( 3.427 0.000 -2.023) 3.980 12.102 ( -2.418 0.000 -3.280) 4.074 12.102 ( 2.418 0.000 -3.280) 4.074 13.576 ( -0.185 0.000 11.446) 11.447 13.576 ( 0.185 0.000 11.446) 11.447 13.807 ( -0.198 0.000 -11.033) 11.035 13.807 ( 0.198 0.000 -11.033) 11.035 14.044 ( -1.095 0.000 4.151) 4.293 14.044 ( 1.095 0.000 4.151) 4.293 14.137 ( -1.168 0.000 -5.023) 5.157 14.137 ( 1.168 0.000 -5.023) 5.157 18.121 ( -3.902 0.000 23.923) 24.239 18.121 ( 3.902 0.000 23.923) 24.239 18.560 ( -2.535 0.000 -20.846) 21.000 18.560 ( 2.535 0.000 -20.846) 21.000 19.694 ( -0.843 0.000 36.013) 36.023 19.694 ( 0.843 0.000 36.013) 36.023 20.378 ( -0.538 0.000 -33.396) 33.400 20.378 ( 0.538 0.000 -33.396) 33.400 22.640 ( -2.939 0.000 11.149) 11.530 22.640 ( 2.939 0.000 11.149) 11.530 22.940 ( -3.351 0.000 -12.856) 13.286 22.940 ( 3.351 0.000 -12.856) 13.286 29.020 ( -0.479 0.000 1.472) 1.548 29.020 ( 0.479 0.000 1.472) 1.548 29.036 ( -0.200 0.000 -0.277) 0.342 29.036 ( 0.200 0.000 -0.277) 0.342 30.075 ( -1.614 0.000 9.893) 10.024 30.075 ( 1.614 0.000 9.893) 10.024 30.286 ( -1.747 0.000 -7.382) 7.586 30.286 ( 1.747 0.000 -7.382) 7.586 30.692 ( -0.533 0.000 5.476) 5.502 30.692 ( 0.533 0.000 5.476) 5.502 31.171 ( -1.128 0.000 9.875) 9.939 31.171 ( 1.128 0.000 9.875) 9.939 31.331 ( -2.664 0.000 -1.919) 3.283 31.331 ( 2.664 0.000 -1.919) 3.283 31.545 ( -1.057 0.000 -15.973) 16.008 31.545 ( 1.057 0.000 -15.973) 16.008 31.693 ( -1.030 0.000 4.355) 4.475 31.693 ( 1.030 0.000 4.355) 4.475 31.800 ( -0.721 0.000 -4.840) 4.894 31.800 ( 0.721 0.000 -4.840) 4.894 ======================= Grid point 180 (64/72) ======================= q-point: ( 0.00 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 0.000 1.470 4.209) 4.459 1.852 ( 0.000 -10.887 5.462) 12.180 2.027 ( 0.000 -0.491 0.841) 0.974 2.129 ( 0.000 -5.292 -4.883) 7.201 2.430 ( 0.000 -7.167 7.027) 10.037 2.462 ( 0.000 -10.953 2.748) 11.292 2.622 ( 0.000 -2.330 -0.732) 2.442 2.675 ( 0.000 -7.758 -4.078) 8.765 2.789 ( 0.000 1.292 4.677) 4.852 2.854 ( 0.000 -3.069 3.483) 4.642 2.856 ( 0.000 0.538 -0.086) 0.545 2.951 ( 0.000 -2.529 -5.408) 5.970 3.309 ( 0.000 -6.555 1.252) 6.674 3.338 ( 0.000 -11.546 -1.632) 11.660 3.420 ( 0.000 -14.058 5.107) 14.957 3.508 ( 0.000 -10.807 -3.384) 11.324 3.874 ( 0.000 2.026 4.179) 4.644 3.995 ( 0.000 2.573 -7.728) 8.145 4.113 ( 0.000 -1.428 6.561) 6.715 4.194 ( 0.000 -8.037 -1.668) 8.208 4.275 ( 0.000 12.237 12.456) 17.461 4.487 ( 0.000 6.872 0.550) 6.894 4.516 ( 0.000 11.241 0.552) 11.254 4.520 ( 0.000 3.150 -9.262) 9.783 4.743 ( 0.000 14.392 6.159) 15.655 4.925 ( 0.000 16.671 -12.202) 20.659 5.133 ( 0.000 7.990 9.016) 12.047 5.288 ( 0.000 13.992 -7.254) 15.760 7.061 ( 0.000 -10.425 11.216) 15.313 7.139 ( 0.000 -11.261 3.316) 11.739 7.340 ( 0.000 -4.212 21.447) 21.857 7.474 ( 0.000 -11.397 10.980) 15.826 7.578 ( 0.000 9.491 14.853) 17.627 7.733 ( 0.000 12.368 -0.772) 12.392 7.829 ( 0.000 -0.226 6.699) 6.703 7.935 ( 0.000 10.371 -2.485) 10.665 8.236 ( 0.000 -3.997 18.597) 19.022 8.619 ( 0.000 -11.093 12.010) 16.349 8.640 ( 0.000 -5.907 -17.181) 18.169 8.787 ( 0.000 -6.375 2.931) 7.017 8.878 ( 0.000 -5.253 -1.440) 5.447 9.055 ( 0.000 -8.700 -15.391) 17.680 9.172 ( 0.000 2.850 -10.066) 10.461 9.239 ( 0.000 -1.206 -10.320) 10.390 9.886 ( 0.000 -0.205 -0.635) 0.667 9.998 ( 0.000 -3.991 -11.287) 11.972 10.185 ( 0.000 -4.816 -0.560) 4.848 10.295 ( 0.000 -6.617 -11.075) 12.901 11.121 ( 0.000 22.557 6.301) 23.421 11.195 ( 0.000 7.223 3.510) 8.031 11.209 ( 0.000 23.633 2.139) 23.730 11.289 ( 0.000 21.922 -8.060) 23.357 11.509 ( 0.000 10.139 -6.816) 12.217 11.535 ( 0.000 -4.084 -9.813) 10.629 12.008 ( 0.000 -3.570 0.337) 3.586 12.082 ( 0.000 -6.953 -6.897) 9.793 13.401 ( 0.000 -13.583 8.804) 16.187 13.433 ( 0.000 -11.965 9.635) 15.362 13.552 ( 0.000 -16.100 -5.679) 17.072 13.608 ( 0.000 -13.878 -7.619) 15.832 14.225 ( 0.000 8.913 -0.187) 8.915 14.227 ( 0.000 11.067 0.734) 11.091 14.252 ( 0.000 11.167 -2.742) 11.498 14.274 ( 0.000 8.331 -3.825) 9.167 18.004 ( 0.000 -2.594 22.537) 22.686 18.181 ( 0.000 -3.240 18.750) 19.028 18.374 ( 0.000 -9.936 -14.202) 17.333 18.492 ( 0.000 -9.884 -12.048) 15.583 19.860 ( 0.000 15.164 28.635) 32.403 19.905 ( 0.000 15.430 27.584) 31.607 20.451 ( 0.000 6.985 -30.032) 30.834 20.479 ( 0.000 7.134 -29.320) 30.175 22.485 ( 0.000 -7.969 12.380) 14.723 22.646 ( 0.000 -7.161 11.365) 13.433 22.738 ( 0.000 -8.358 -12.756) 15.250 22.908 ( 0.000 -8.478 -14.890) 17.134 29.023 ( 0.000 1.200 1.576) 1.981 29.042 ( 0.000 0.867 -0.447) 0.975 29.051 ( 0.000 1.631 0.708) 1.778 29.056 ( 0.000 1.301 0.173) 1.313 30.077 ( 0.000 2.977 10.478) 10.893 30.176 ( 0.000 4.205 10.708) 11.504 30.252 ( 0.000 1.788 -6.788) 7.020 30.359 ( 0.000 3.291 -7.692) 8.367 30.669 ( 0.000 -1.758 5.312) 5.596 30.702 ( 0.000 -1.549 3.403) 3.739 31.076 ( 0.000 -3.331 9.876) 10.423 31.076 ( 0.000 -4.422 12.275) 13.048 31.292 ( 0.000 -3.697 -7.472) 8.337 31.310 ( 0.000 -5.814 -9.496) 11.135 31.406 ( 0.000 -8.004 -2.932) 8.524 31.432 ( 0.000 -7.016 -6.002) 9.233 31.817 ( 0.000 7.419 -1.858) 7.648 31.829 ( 0.000 7.736 -0.022) 7.736 31.864 ( 0.000 5.080 -5.926) 7.806 31.890 ( 0.000 6.513 -4.587) 7.966 ======================= Grid point 181 (65/72) ======================= q-point: ( 0.25 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 3.168 0.881 6.719) 7.480 1.887 ( 3.012 -10.457 5.680) 12.275 2.047 ( 0.912 -4.767 1.480) 5.074 2.109 ( -2.186 -6.340 -2.397) 7.122 2.443 ( 2.605 -4.305 5.138) 7.191 2.468 ( 1.262 -8.798 2.980) 9.374 2.681 ( 4.467 -1.488 -1.987) 5.111 2.692 ( 0.870 -4.987 -2.750) 5.761 2.731 ( -4.636 -1.798 5.332) 7.291 2.820 ( -2.023 -0.128 1.602) 2.584 2.858 ( -1.053 -1.019 0.275) 1.491 2.907 ( -4.458 -1.882 -7.095) 8.588 3.303 ( -0.373 -7.693 1.172) 7.791 3.320 ( -1.198 -11.073 -0.279) 11.141 3.450 ( 2.512 -14.361 2.099) 14.730 3.510 ( -0.164 -12.433 -3.271) 12.857 3.910 ( 3.703 2.542 5.464) 7.073 4.020 ( 1.094 2.109 -3.467) 4.203 4.132 ( 2.764 -0.345 5.208) 5.906 4.213 ( 0.692 -4.922 1.680) 5.247 4.295 ( 2.762 7.421 7.085) 10.625 4.430 ( -4.186 9.366 1.818) 10.419 4.478 ( -3.562 3.784 -5.623) 7.657 4.484 ( -4.420 7.298 -5.124) 9.953 4.778 ( 3.512 13.836 5.162) 15.179 4.924 ( -1.039 15.937 -7.812) 17.779 5.105 ( -1.446 9.974 4.639) 11.095 5.232 ( -5.212 14.657 -7.336) 17.199 7.124 ( 5.978 -9.460 13.143) 17.262 7.207 ( 6.393 -10.718 5.071) 13.471 7.319 ( -2.343 -4.881 20.106) 20.822 7.443 ( -3.465 -11.081 9.809) 15.199 7.604 ( 2.862 7.906 14.066) 16.387 7.750 ( -0.301 6.937 2.358) 7.333 7.807 ( -0.256 5.997 4.584) 7.553 7.916 ( -2.131 10.618 -2.470) 11.108 8.273 ( 3.947 -4.526 17.306) 18.318 8.509 ( -7.145 -8.144 7.283) 13.055 8.721 ( 3.962 -7.477 -9.236) 12.526 8.804 ( 0.889 -8.154 -1.652) 8.367 8.873 ( 0.803 -2.942 0.050) 3.050 9.047 ( -2.288 -5.665 -14.430) 15.670 9.138 ( -1.780 -0.366 -9.155) 9.334 9.210 ( -2.804 -2.373 -10.890) 11.493 9.906 ( 1.924 -0.960 -2.087) 2.996 9.981 ( -1.584 -3.479 -8.850) 9.640 10.212 ( 2.400 -5.692 -3.508) 7.104 10.285 ( -1.065 -6.947 -10.089) 12.295 11.118 ( 0.326 21.380 5.062) 21.974 11.180 ( -2.354 23.415 1.511) 23.581 11.238 ( 3.545 11.542 2.501) 12.331 11.303 ( 0.661 20.749 -5.053) 21.366 11.514 ( 0.956 6.404 -6.328) 9.054 11.548 ( 0.717 0.679 -9.264) 9.316 12.002 ( -0.161 -4.968 -1.012) 5.072 12.060 ( -2.147 -7.085 -6.513) 9.860 13.403 ( 0.285 -13.467 8.750) 16.063 13.425 ( -0.718 -12.436 9.161) 15.462 13.563 ( 1.034 -15.592 -5.552) 16.583 13.602 ( -0.670 -14.134 -7.111) 15.836 14.225 ( 0.177 10.321 0.015) 10.322 14.232 ( 0.284 10.234 0.059) 10.238 14.251 ( -0.032 10.507 -2.650) 10.836 14.269 ( -0.540 8.480 -3.439) 9.167 18.026 ( 2.318 -2.663 22.170) 22.449 18.151 ( -3.031 -3.128 19.476) 19.957 18.391 ( 1.708 -9.921 -13.911) 17.171 18.474 ( -1.834 -9.896 -12.435) 15.998 19.867 ( 0.646 15.190 28.486) 32.289 19.898 ( -0.691 15.377 27.743) 31.727 20.454 ( 0.407 6.985 -29.920) 30.727 20.475 ( -0.451 7.089 -29.413) 30.259 22.504 ( 1.963 -7.687 11.970) 14.361 22.612 ( -2.947 -7.086 9.858) 12.493 22.776 ( 3.315 -8.539 -11.538) 14.732 22.891 ( -1.895 -8.576 -14.403) 16.869 29.027 ( 0.416 1.265 1.455) 1.972 29.044 ( 0.156 0.959 -0.273) 1.010 29.047 ( -0.367 1.542 0.761) 1.758 29.054 ( -0.192 1.251 0.063) 1.267 30.087 ( 0.982 3.073 10.182) 10.681 30.150 ( -2.098 3.725 9.206) 10.150 30.277 ( 2.118 2.153 -5.421) 6.205 30.347 ( -1.244 2.973 -7.174) 7.864 30.670 ( 0.147 -1.442 5.132) 5.333 30.692 ( -0.904 -1.240 3.926) 4.215 31.088 ( 1.416 -4.168 8.361) 9.449 31.101 ( 1.836 -4.582 11.604) 12.610 31.269 ( -0.939 -3.953 -5.938) 7.196 31.317 ( -0.817 -4.674 -4.737) 6.705 31.401 ( 0.200 -7.802 -5.979) 9.832 31.431 ( -0.361 -7.334 -7.012) 10.153 31.818 ( 0.174 7.512 -2.022) 7.781 31.827 ( -0.206 7.600 -0.406) 7.614 31.867 ( 0.284 5.249 -5.676) 7.736 31.885 ( -0.473 6.287 -4.790) 7.918 ======================= Grid point 182 (66/72) ======================= q-point: (-0.50 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -1.864 -4.286 6.849) 8.292 1.910 ( 1.864 -4.286 6.849) 8.292 2.061 ( -1.922 -8.555 2.454) 9.106 2.061 ( 1.922 -8.555 2.454) 9.106 2.495 ( -1.181 -4.221 4.067) 5.979 2.495 ( 1.181 -4.221 4.067) 5.979 2.674 ( -2.204 -3.177 -1.376) 4.104 2.674 ( 2.204 -3.177 -1.376) 4.104 2.771 ( -3.474 0.439 -1.017) 3.646 2.771 ( 3.474 0.439 -1.017) 3.646 2.845 ( -1.146 -1.649 -2.473) 3.185 2.845 ( 1.146 -1.649 -2.473) 3.185 3.304 ( -0.503 -9.845 0.464) 9.869 3.304 ( 0.503 -9.845 0.464) 9.869 3.493 ( -1.752 -14.263 -1.376) 14.436 3.493 ( 1.752 -14.263 -1.376) 14.436 3.991 ( -4.038 2.412 5.130) 6.959 3.991 ( 4.038 2.412 5.130) 6.960 4.196 ( -2.605 0.112 3.731) 4.552 4.196 ( 2.605 0.112 3.731) 4.552 4.375 ( -4.834 2.261 -1.160) 5.461 4.375 ( 4.834 2.261 -1.160) 5.461 4.413 ( -1.633 8.054 -3.701) 9.012 4.413 ( 1.633 8.054 -3.701) 9.012 4.861 ( -4.989 13.379 1.975) 14.414 4.861 ( 4.989 13.379 1.975) 14.415 5.134 ( -4.383 14.611 -5.148) 16.100 5.134 ( 4.383 14.611 -5.148) 16.100 7.238 ( -5.270 -6.956 17.333) 19.406 7.238 ( 5.270 -6.956 17.333) 19.406 7.346 ( -6.605 -10.554 7.430) 14.499 7.346 ( 6.605 -10.554 7.430) 14.499 7.681 ( -5.009 4.191 10.824) 12.642 7.681 ( 5.009 4.191 10.824) 12.642 7.859 ( -3.772 11.229 -1.586) 11.951 7.859 ( 3.772 11.229 -1.586) 11.951 8.376 ( -6.842 -6.072 13.341) 16.176 8.376 ( 6.842 -6.072 13.341) 16.176 8.780 ( -2.649 -7.860 -6.064) 10.275 8.780 ( 2.649 -7.860 -6.064) 10.275 8.951 ( -6.327 -1.669 -6.223) 9.030 8.951 ( 6.327 -1.669 -6.223) 9.030 9.155 ( -2.669 -4.207 -11.397) 12.439 9.155 ( 2.669 -4.207 -11.397) 12.439 9.946 ( -2.166 -2.329 -5.221) 6.113 9.946 ( 2.166 -2.329 -5.221) 6.113 10.256 ( -2.059 -6.897 -7.481) 10.381 10.256 ( 2.059 -6.897 -7.481) 10.381 11.139 ( -1.830 22.468 2.950) 22.734 11.139 ( 1.830 22.468 2.950) 22.734 11.293 ( -1.933 16.884 -0.956) 17.021 11.293 ( 1.933 16.884 -0.956) 17.021 11.541 ( -1.453 4.212 -7.014) 8.309 11.541 ( 1.453 4.212 -7.014) 8.309 12.018 ( -1.917 -6.896 -4.432) 8.419 12.018 ( 1.917 -6.896 -4.432) 8.419 13.412 ( -0.634 -13.091 8.758) 15.763 13.412 ( 0.634 -13.091 8.758) 15.763 13.584 ( -1.138 -14.775 -6.079) 16.017 13.584 ( 1.138 -14.775 -6.079) 16.017 14.231 ( -0.330 10.811 -0.316) 10.821 14.231 ( 0.330 10.811 -0.316) 10.821 14.257 ( -0.651 8.992 -2.689) 9.408 14.257 ( 0.651 8.992 -2.689) 9.408 18.084 ( -3.731 -2.869 21.023) 21.543 18.084 ( 3.731 -2.869 21.023) 21.543 18.432 ( -2.477 -9.912 -13.243) 16.726 18.432 ( 2.477 -9.912 -13.243) 16.726 19.882 ( -0.945 15.270 28.118) 32.011 19.882 ( 0.945 15.270 28.118) 32.011 20.464 ( -0.604 7.015 -29.658) 30.482 20.464 ( 0.604 7.015 -29.658) 30.482 22.553 ( -3.173 -7.225 10.792) 13.370 22.553 ( 3.173 -7.225 10.792) 13.370 22.841 ( -3.354 -8.680 -12.952) 15.948 22.841 ( 3.354 -8.680 -12.952) 15.948 29.037 ( -0.586 1.409 1.155) 1.914 29.037 ( 0.586 1.409 1.155) 1.914 29.049 ( -0.293 1.107 -0.155) 1.156 29.049 ( 0.293 1.107 -0.155) 1.156 30.113 ( -1.813 3.333 9.478) 10.209 30.113 ( 1.813 3.333 9.478) 10.209 30.317 ( -1.997 2.462 -6.038) 6.819 30.317 ( 1.997 2.462 -6.038) 6.819 30.677 ( -0.627 -1.042 4.657) 4.813 30.677 ( 0.627 -1.042 4.657) 4.813 31.114 ( -0.815 -4.953 8.247) 9.655 31.114 ( 0.815 -4.953 8.247) 9.655 31.281 ( -2.116 -3.861 -1.723) 4.727 31.281 ( 2.116 -3.861 -1.723) 4.727 31.417 ( -1.101 -7.543 -8.305) 11.273 31.417 ( 1.101 -7.543 -8.305) 11.273 31.822 ( -0.240 7.534 -1.514) 7.689 31.822 ( 0.240 7.534 -1.514) 7.689 31.875 ( -0.567 5.737 -5.184) 7.753 31.875 ( 0.567 5.737 -5.184) 7.753 ======================= Grid point 185 (67/72) ======================= q-point: ( 0.00 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.000 -5.755 6.888) 8.976 1.767 ( 0.000 -6.481 -5.837) 8.722 2.069 ( 0.000 2.813 3.347) 4.372 2.098 ( 0.000 2.268 -0.008) 2.268 2.190 ( 0.000 -11.421 1.131) 11.477 2.243 ( 0.000 -9.099 -3.042) 9.594 2.490 ( 0.000 -5.850 3.302) 6.718 2.612 ( 0.000 -1.278 -7.162) 7.275 2.766 ( 0.000 -0.322 6.067) 6.075 2.845 ( 0.000 1.022 -2.306) 2.523 2.864 ( 0.000 2.359 4.622) 5.189 2.919 ( 0.000 0.022 -0.537) 0.538 3.145 ( 0.000 -11.407 5.794) 12.794 3.209 ( 0.000 -1.533 0.781) 1.720 3.246 ( 0.000 -1.645 -2.468) 2.966 3.282 ( 0.000 -10.341 -6.691) 12.317 3.800 ( 0.000 -5.681 0.850) 5.744 3.837 ( 0.000 -9.298 -2.913) 9.744 4.102 ( 0.000 -1.398 5.203) 5.387 4.190 ( 0.000 -2.099 -3.950) 4.474 4.451 ( 0.000 8.432 3.950) 9.311 4.511 ( 0.000 4.941 -2.204) 5.410 4.683 ( 0.000 5.634 2.506) 6.167 4.726 ( 0.000 5.690 -2.079) 6.058 5.065 ( 0.000 13.210 7.598) 15.240 5.205 ( 0.000 7.685 -6.857) 10.299 5.365 ( 0.000 9.262 11.727) 14.944 5.530 ( 0.000 4.415 -5.092) 6.739 6.947 ( 0.000 0.850 9.344) 9.382 7.006 ( 0.000 -0.302 3.840) 3.852 7.226 ( 0.000 -4.821 11.567) 12.532 7.241 ( 0.000 -8.706 10.347) 13.523 7.779 ( 0.000 9.182 16.413) 18.806 7.888 ( 0.000 5.696 16.893) 17.827 7.977 ( 0.000 9.586 -3.027) 10.052 8.125 ( 0.000 -5.122 19.639) 20.296 8.164 ( 0.000 9.204 -8.811) 12.741 8.371 ( 0.000 -11.128 15.912) 19.417 8.454 ( 0.000 -11.048 -10.526) 15.260 8.590 ( 0.000 -9.762 -4.839) 10.895 8.780 ( 0.000 -4.366 -2.065) 4.830 8.827 ( 0.000 -9.791 -7.363) 12.251 9.153 ( 0.000 -4.659 -6.388) 7.907 9.163 ( 0.000 -2.989 -10.007) 10.444 9.968 ( 0.000 5.668 -9.575) 11.127 9.990 ( 0.000 2.665 -11.331) 11.641 10.165 ( 0.000 1.683 -3.611) 3.984 10.234 ( 0.000 -0.358 -10.201) 10.207 11.254 ( 0.000 1.852 6.844) 7.090 11.414 ( 0.000 -3.230 -6.390) 7.160 11.588 ( 0.000 7.230 4.436) 8.482 11.604 ( 0.000 -0.146 4.178) 4.181 11.693 ( 0.000 20.243 -0.550) 20.250 11.835 ( 0.000 18.053 -13.679) 22.650 12.022 ( 0.000 9.788 -2.871) 10.201 12.118 ( 0.000 16.586 -10.854) 19.822 13.065 ( 0.000 -15.714 6.981) 17.195 13.121 ( 0.000 -15.531 7.993) 17.467 13.183 ( 0.000 -17.188 -4.441) 17.752 13.260 ( 0.000 -17.785 -5.888) 18.734 14.410 ( 0.000 7.105 0.788) 7.149 14.427 ( 0.000 6.855 -0.786) 6.900 14.452 ( 0.000 6.944 -1.502) 7.105 14.463 ( 0.000 7.214 -2.751) 7.721 17.957 ( 0.000 -0.942 15.337) 15.366 18.118 ( 0.000 -1.748 12.542) 12.663 18.149 ( 0.000 -9.654 -3.407) 10.237 18.275 ( 0.000 -8.981 -2.820) 9.413 20.237 ( 0.000 17.829 17.076) 24.687 20.280 ( 0.000 17.334 15.444) 23.216 20.599 ( 0.000 4.609 -18.574) 19.137 20.623 ( 0.000 3.874 -17.574) 17.996 22.309 ( 0.000 -6.089 7.837) 9.925 22.484 ( 0.000 -5.812 6.372) 8.625 22.508 ( 0.000 -11.670 -11.563) 16.429 22.676 ( 0.000 -11.728 -12.496) 17.138 29.051 ( 0.000 1.225 0.937) 1.542 29.062 ( 0.000 0.754 -0.111) 0.762 29.088 ( 0.000 1.359 0.265) 1.385 29.088 ( 0.000 1.477 0.214) 1.493 30.163 ( 0.000 4.589 9.016) 10.116 30.285 ( 0.000 0.643 -2.597) 2.676 30.298 ( 0.000 6.499 9.942) 11.877 30.430 ( 0.000 1.942 -2.251) 2.973 30.650 ( 0.000 0.991 1.372) 1.693 30.670 ( 0.000 -0.931 1.322) 1.617 30.949 ( 0.000 -6.413 8.502) 10.649 30.989 ( 0.000 -4.642 5.381) 7.107 31.195 ( 0.000 -4.387 -6.544) 7.878 31.199 ( 0.000 -3.927 -5.784) 6.991 31.263 ( 0.000 -4.578 -0.058) 4.578 31.295 ( 0.000 -5.122 -3.591) 6.256 31.960 ( 0.000 5.374 -3.200) 6.254 31.972 ( 0.000 4.259 -5.051) 6.607 31.976 ( 0.000 5.112 -2.325) 5.616 32.012 ( 0.000 3.887 -4.349) 5.833 ======================= Grid point 186 (68/72) ======================= q-point: ( 0.25 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 4.799 -5.621 7.085) 10.238 1.806 ( 4.005 -5.953 -5.418) 8.990 1.949 ( -8.229 -2.783 5.524) 10.294 2.046 ( -6.596 -1.687 -4.048) 7.921 2.243 ( 6.230 -6.306 6.455) 10.965 2.356 ( 9.062 -4.968 -2.983) 10.757 2.546 ( 1.693 -6.002 3.813) 7.310 2.655 ( 2.718 -3.322 -5.955) 7.341 2.709 ( -2.010 0.964 5.491) 5.926 2.803 ( -4.005 -0.185 -1.518) 4.287 2.846 ( -1.951 2.166 2.094) 3.589 2.913 ( -1.427 1.019 -2.979) 3.457 3.148 ( 1.607 -7.537 1.725) 7.897 3.184 ( -2.863 -4.705 -1.794) 5.793 3.234 ( 0.029 -4.941 1.454) 5.150 3.288 ( -0.870 -6.395 -3.799) 7.489 3.846 ( 5.375 -5.563 3.021) 8.305 3.918 ( 7.189 -8.485 -4.157) 11.873 4.071 ( -3.379 -2.679 5.319) 6.847 4.162 ( -3.258 -4.138 -3.846) 6.521 4.445 ( -0.285 7.777 3.166) 8.401 4.487 ( -2.183 5.375 -1.096) 5.904 4.645 ( -3.131 6.233 1.147) 7.069 4.680 ( -4.105 5.653 -2.352) 7.372 5.091 ( 2.652 13.211 7.646) 15.493 5.204 ( -1.190 9.609 -1.487) 9.796 5.367 ( 1.353 8.926 5.525) 10.585 5.498 ( -3.192 5.783 -5.594) 8.656 6.999 ( 5.074 -0.802 10.559) 11.742 7.062 ( 4.847 -1.950 4.934) 7.186 7.199 ( -2.519 -5.060 11.822) 13.104 7.231 ( -1.469 -6.872 9.029) 11.441 7.785 ( 0.777 8.740 16.769) 18.926 7.856 ( -2.546 6.310 15.757) 17.163 8.020 ( 3.561 8.996 -2.754) 10.059 8.143 ( -1.733 4.954 -6.037) 8.000 8.156 ( 2.718 -1.078 17.436) 17.680 8.308 ( -4.418 -9.040 14.742) 17.848 8.524 ( 4.682 -10.845 -8.338) 14.459 8.591 ( 0.089 -10.007 -4.842) 11.117 8.797 ( 2.391 -3.813 -2.459) 5.129 8.856 ( 2.811 -8.764 -8.374) 12.444 9.087 ( -6.389 -4.476 -7.003) 10.483 9.104 ( -5.514 -5.248 -8.521) 11.426 9.977 ( 0.879 5.729 -9.143) 10.825 9.993 ( 0.224 3.630 -10.318) 10.940 10.162 ( -0.150 -0.065 -5.927) 5.929 10.209 ( -2.269 -1.259 -10.200) 10.525 11.303 ( 4.624 2.359 6.416) 8.253 11.429 ( 0.232 -1.194 -3.163) 3.389 11.595 ( 0.678 7.127 2.301) 7.520 11.618 ( 0.871 -1.636 2.885) 3.429 11.698 ( 2.545 22.177 0.325) 22.325 11.883 ( 4.476 18.034 -12.595) 22.448 11.964 ( -5.821 9.145 -2.860) 11.211 12.084 ( -3.651 15.551 -11.856) 19.893 13.069 ( 0.425 -15.712 6.844) 17.143 13.104 ( -1.353 -15.670 6.774) 17.125 13.201 ( 1.549 -17.157 -3.497) 17.578 13.252 ( -0.865 -17.674 -5.307) 18.474 14.416 ( 0.573 7.136 0.480) 7.175 14.432 ( 0.396 6.973 -0.847) 7.035 14.447 ( -0.486 6.938 -1.425) 7.099 14.458 ( -0.480 7.124 -2.500) 7.565 17.977 ( 2.139 -1.015 15.052) 15.237 18.090 ( -2.705 -1.631 12.943) 13.323 18.167 ( 1.787 -9.542 -3.202) 10.222 18.255 ( -2.001 -9.119 -2.935) 9.786 20.243 ( 0.606 17.744 16.823) 24.459 20.274 ( -0.695 17.395 15.668) 23.421 20.602 ( 0.289 4.484 -18.411) 18.951 20.619 ( -0.414 3.967 -17.700) 18.144 22.334 ( 2.526 -5.866 7.485) 9.840 22.453 ( -2.700 -5.758 4.955) 8.062 22.542 ( 2.886 -11.738 -10.150) 15.784 22.656 ( -2.115 -11.858 -12.297) 17.213 29.057 ( 0.552 1.270 0.835) 1.617 29.066 ( 0.402 0.851 -0.063) 0.944 29.083 ( -0.521 1.427 0.355) 1.560 29.084 ( -0.380 1.289 0.162) 1.353 30.175 ( 1.287 4.754 8.751) 10.042 30.253 ( -2.357 4.910 5.661) 7.855 30.322 ( 1.672 1.445 1.536) 2.691 30.406 ( -2.306 1.167 -1.866) 3.188 30.661 ( 1.160 1.373 2.147) 2.800 30.683 ( 0.725 1.425 0.925) 1.847 30.955 ( 0.726 -7.348 6.949) 10.140 30.988 ( -0.298 -5.879 4.900) 7.659 31.184 ( 0.129 -3.132 -3.686) 4.838 31.220 ( 0.489 -3.744 -5.097) 6.344 31.255 ( -0.273 -5.051 -1.200) 5.199 31.289 ( -0.665 -5.323 -4.124) 6.767 31.961 ( 0.113 5.291 -3.160) 6.164 31.971 ( -0.277 5.044 -2.017) 5.440 31.979 ( 0.503 4.364 -5.314) 6.895 32.006 ( -0.597 3.959 -4.625) 6.117 ======================= Grid point 187 (69/72) ======================= q-point: (-0.50 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -7.705 -4.240 6.721) 11.069 1.788 ( 7.705 -4.240 6.721) 11.069 1.916 ( -6.564 -5.545 -4.741) 9.814 1.916 ( 6.564 -5.545 -4.741) 9.814 2.393 ( -8.421 -2.719 9.578) 13.040 2.393 ( 8.421 -2.719 9.578) 13.040 2.581 ( -8.479 -6.283 -4.576) 11.503 2.581 ( 8.479 -6.283 -4.576) 11.503 2.776 ( -5.229 1.236 1.697) 5.635 2.776 ( 5.229 1.236 1.697) 5.635 2.839 ( -6.005 0.399 -4.980) 7.811 2.839 ( 6.005 0.399 -4.980) 7.811 3.167 ( -0.542 -3.024 0.410) 3.099 3.167 ( 0.542 -3.024 0.410) 3.099 3.250 ( -2.461 -7.842 -0.846) 8.262 3.250 ( 2.461 -7.842 -0.846) 8.262 3.968 ( -6.384 -3.806 4.448) 8.662 3.968 ( 6.384 -3.806 4.448) 8.662 4.066 ( -6.689 -7.897 -3.766) 11.013 4.066 ( 6.689 -7.897 -3.766) 11.013 4.452 ( -1.196 6.539 1.399) 6.793 4.452 ( 1.196 6.539 1.399) 6.793 4.620 ( -1.282 6.386 -1.606) 6.709 4.620 ( 1.282 6.386 -1.606) 6.709 5.153 ( -3.647 12.423 5.945) 14.247 5.153 ( 3.647 12.423 5.945) 14.247 5.425 ( -4.230 7.707 -3.495) 9.461 5.425 ( 4.230 7.707 -3.495) 9.461 7.096 ( -3.831 -3.989 10.974) 12.289 7.096 ( 3.831 -3.989 10.974) 12.289 7.184 ( -2.882 -4.176 7.738) 9.253 7.184 ( 2.882 -4.176 7.738) 9.253 7.811 ( -2.052 7.538 16.552) 18.303 7.811 ( 2.052 7.538 16.552) 18.303 8.089 ( -3.617 8.022 -5.302) 10.273 8.089 ( 3.617 8.022 -5.302) 10.273 8.227 ( -4.291 -5.520 17.710) 19.040 8.227 ( 4.291 -5.520 17.710) 19.040 8.582 ( -1.499 -10.138 -6.660) 12.222 8.582 ( 1.499 -10.138 -6.660) 12.222 8.874 ( -3.921 -3.649 -6.854) 8.699 8.874 ( 3.921 -3.649 -6.854) 8.699 9.009 ( -2.185 -7.929 -7.003) 10.802 9.009 ( 2.185 -7.929 -7.003) 10.802 9.992 ( -0.476 5.303 -8.935) 10.401 9.992 ( 0.476 5.303 -8.935) 10.401 10.171 ( -1.390 -2.016 -9.258) 9.576 10.171 ( 1.390 -2.016 -9.258) 9.576 11.391 ( -4.050 1.974 3.536) 5.727 11.391 ( 4.050 1.974 3.536) 5.727 11.611 ( -0.976 5.753 0.527) 5.859 11.611 ( 0.976 5.753 0.527) 5.859 11.816 ( -8.457 14.654 0.373) 16.923 11.816 ( 8.457 14.654 0.373) 16.923 11.991 ( -5.828 13.930 -13.557) 20.293 11.991 ( 5.828 13.930 -13.557) 20.293 13.082 ( -0.998 -15.704 6.579) 17.056 13.082 ( 0.998 -15.704 6.579) 17.056 13.230 ( -1.450 -17.397 -4.089) 17.930 13.230 ( 1.450 -17.397 -4.089) 17.930 14.429 ( -0.737 7.192 -0.172) 7.231 14.429 ( 0.737 7.192 -0.172) 7.231 14.447 ( -0.609 6.920 -1.994) 7.227 14.447 ( 0.609 6.920 -1.994) 7.227 18.030 ( -3.376 -1.253 14.178) 14.629 18.030 ( 3.376 -1.253 14.178) 14.629 18.210 ( -2.642 -9.392 -3.147) 10.251 18.210 ( 2.642 -9.392 -3.147) 10.251 20.258 ( -0.920 17.558 16.231) 23.929 20.258 ( 0.920 17.558 16.231) 23.929 20.610 ( -0.493 4.210 -18.038) 18.529 20.610 ( 0.493 4.210 -18.038) 18.529 22.393 ( -3.525 -5.546 6.460) 9.215 22.393 ( 3.525 -5.546 6.460) 9.215 22.603 ( -3.360 -12.024 -11.542) 17.002 22.603 ( 3.360 -12.024 -11.542) 17.002 29.069 ( -0.685 1.359 0.573) 1.626 29.069 ( 0.685 1.359 0.573) 1.626 29.076 ( -0.481 1.070 0.064) 1.175 29.076 ( 0.481 1.070 0.064) 1.175 30.209 ( -2.253 5.140 7.877) 9.672 30.209 ( 2.253 5.140 7.877) 9.672 30.360 ( -2.382 0.414 -0.841) 2.560 30.360 ( 2.382 0.414 -0.841) 2.560 30.682 ( -0.827 2.627 1.783) 3.281 30.682 ( 0.827 2.627 1.783) 3.281 30.974 ( -1.115 -7.668 4.742) 9.085 30.974 ( 1.115 -7.668 4.742) 9.085 31.202 ( -1.560 -2.640 -1.336) 3.345 31.202 ( 1.560 -2.640 -1.336) 3.345 31.270 ( -1.283 -5.609 -4.685) 7.419 31.270 ( 1.283 -5.609 -4.685) 7.419 31.965 ( -0.277 5.209 -2.521) 5.794 31.965 ( 0.277 5.209 -2.521) 5.794 31.992 ( -0.816 4.134 -5.133) 6.641 31.992 ( 0.816 4.134 -5.133) 6.641 ======================= Grid point 190 (70/72) ======================= q-point: ( 0.00 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.000 -4.863 -3.672) 6.094 1.637 ( 0.000 4.863 -3.672) 6.094 2.039 ( 0.000 -1.187 -0.315) 1.228 2.039 ( 0.000 1.187 -0.315) 1.228 2.158 ( 0.000 -2.895 2.409) 3.766 2.158 ( 0.000 2.895 2.409) 3.766 2.505 ( 0.000 -5.947 -0.836) 6.005 2.505 ( 0.000 5.947 -0.836) 6.005 2.873 ( 0.000 -7.830 5.083) 9.335 2.873 ( 0.000 7.830 5.083) 9.335 2.903 ( 0.000 -2.328 4.639) 5.190 2.903 ( 0.000 2.328 4.639) 5.190 3.039 ( 0.000 -10.505 -6.002) 12.099 3.039 ( 0.000 10.505 -6.002) 12.099 3.214 ( 0.000 -1.124 -2.879) 3.090 3.214 ( 0.000 1.124 -2.879) 3.090 3.736 ( 0.000 -0.131 -0.200) 0.239 3.736 ( 0.000 0.131 -0.200) 0.239 4.095 ( 0.000 -2.937 0.518) 2.982 4.095 ( 0.000 2.937 0.518) 2.982 4.648 ( 0.000 -5.153 1.804) 5.460 4.648 ( 0.000 5.154 1.804) 5.460 4.702 ( 0.000 -5.140 -1.697) 5.413 4.702 ( 0.000 5.140 -1.697) 5.413 5.267 ( 0.000 -3.059 1.034) 3.229 5.267 ( 0.000 3.059 1.034) 3.229 5.486 ( 0.000 -4.641 5.270) 7.023 5.486 ( 0.000 4.641 5.270) 7.023 7.023 ( 0.000 -2.611 9.144) 9.510 7.023 ( 0.000 2.611 9.144) 9.510 7.152 ( 0.000 -1.500 6.907) 7.068 7.152 ( 0.000 1.500 6.907) 7.068 7.967 ( 0.000 -7.746 14.374) 16.329 7.967 ( 0.000 7.746 14.374) 16.329 8.063 ( 0.000 -8.796 13.825) 16.386 8.063 ( 0.000 8.796 13.825) 16.386 8.224 ( 0.000 -7.634 -0.555) 7.655 8.224 ( 0.000 7.634 -0.555) 7.655 8.389 ( 0.000 -8.946 -6.564) 11.096 8.389 ( 0.000 8.946 -6.564) 11.096 8.719 ( 0.000 -0.011 -4.374) 4.374 8.719 ( 0.000 0.011 -4.373) 4.374 9.106 ( 0.000 -0.843 -7.601) 7.648 9.106 ( 0.000 0.843 -7.601) 7.648 10.039 ( 0.000 -0.147 -12.011) 12.012 10.039 ( 0.000 0.147 -12.011) 12.012 10.214 ( 0.000 -2.080 -5.776) 6.139 10.214 ( 0.000 2.080 -5.776) 6.139 11.335 ( 0.000 -4.555 0.846) 4.633 11.335 ( 0.000 4.555 0.846) 4.633 11.548 ( 0.000 -0.430 -1.009) 1.097 11.548 ( 0.000 0.430 -1.009) 1.097 12.043 ( 0.000 -5.039 -4.681) 6.878 12.043 ( 0.000 5.039 -4.681) 6.878 12.337 ( 0.000 -6.732 -4.801) 8.269 12.337 ( 0.000 6.732 -4.801) 8.269 12.914 ( 0.000 -2.486 0.952) 2.662 12.914 ( 0.000 2.485 0.952) 2.662 12.915 ( 0.000 -8.554 0.715) 8.584 12.915 ( 0.000 8.554 0.715) 8.584 14.499 ( 0.000 -0.539 -0.004) 0.539 14.499 ( 0.000 0.539 -0.004) 0.539 14.538 ( 0.000 -0.461 -1.720) 1.781 14.538 ( 0.000 0.461 -1.720) 1.781 17.991 ( 0.000 -4.488 6.278) 7.717 17.991 ( 0.000 4.488 6.278) 7.717 18.134 ( 0.000 -3.649 5.082) 6.256 18.134 ( 0.000 3.649 5.082) 6.256 20.555 ( 0.000 -9.665 1.266) 9.748 20.555 ( 0.000 9.665 1.266) 9.748 20.577 ( 0.000 -8.455 0.151) 8.456 20.577 ( 0.000 8.455 0.151) 8.456 22.301 ( 0.000 -5.726 -4.064) 7.021 22.301 ( 0.000 5.726 -4.064) 7.021 22.472 ( 0.000 -5.336 -4.653) 7.080 22.472 ( 0.000 5.336 -4.653) 7.080 29.068 ( 0.000 -0.233 0.341) 0.413 29.068 ( 0.000 0.233 0.341) 0.413 29.105 ( 0.000 -0.051 0.152) 0.160 29.105 ( 0.000 0.051 0.152) 0.160 30.256 ( 0.000 -3.362 4.798) 5.859 30.256 ( 0.000 3.362 4.798) 5.859 30.415 ( 0.000 -3.304 5.360) 6.296 30.415 ( 0.000 3.304 5.360) 6.296 30.674 ( 0.000 -0.597 0.639) 0.874 30.674 ( 0.000 0.597 0.639) 0.874 30.889 ( 0.000 -2.731 1.648) 3.189 30.889 ( 0.000 2.731 1.648) 3.189 31.148 ( 0.000 -0.451 -2.541) 2.580 31.148 ( 0.000 0.451 -2.541) 2.580 31.225 ( 0.000 -1.016 -2.255) 2.473 31.225 ( 0.000 1.016 -2.255) 2.473 32.023 ( 0.000 -0.062 -5.315) 5.315 32.023 ( 0.000 0.062 -5.315) 5.315 32.043 ( 0.000 -1.029 -2.320) 2.538 32.043 ( 0.000 1.029 -2.320) 2.538 ======================= Grid point 192 (71/72) ======================= q-point: ( 0.25 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 4.480 -4.873 -2.035) 6.925 1.678 ( 4.480 4.873 -2.035) 6.925 1.946 ( -7.606 -3.298 1.767) 8.477 1.946 ( -7.606 3.298 1.767) 8.477 2.257 ( 8.373 -4.048 0.197) 9.302 2.257 ( 8.373 4.048 0.197) 9.302 2.532 ( 0.534 -4.870 -0.879) 4.977 2.532 ( 0.534 4.870 -0.879) 4.977 2.794 ( -4.144 -4.178 5.742) 8.222 2.794 ( -4.144 4.178 5.742) 8.222 2.915 ( -2.494 -1.993 -2.848) 4.278 2.915 ( -2.494 1.993 -2.848) 4.278 3.047 ( 3.639 -3.049 -1.017) 4.855 3.047 ( 3.639 3.049 -1.017) 4.855 3.220 ( -1.182 -1.666 -0.708) 2.162 3.220 ( -1.182 1.666 -0.708) 2.162 3.797 ( 6.293 -1.727 -0.545) 6.548 3.797 ( 6.293 1.727 -0.545) 6.548 4.055 ( -4.419 -2.831 0.414) 5.264 4.055 ( -4.419 2.831 0.414) 5.264 4.624 ( -1.823 -4.501 1.261) 5.017 4.624 ( -1.823 4.501 1.261) 5.018 4.662 ( -3.393 -4.549 -1.400) 5.845 4.662 ( -3.393 4.549 -1.400) 5.845 5.311 ( 4.161 -4.159 1.356) 6.038 5.311 ( 4.161 4.159 1.356) 6.038 5.462 ( -2.589 -5.161 3.933) 6.986 5.462 ( -2.589 5.161 3.933) 6.986 7.054 ( 2.861 -2.841 9.244) 10.085 7.054 ( 2.861 2.841 9.244) 10.085 7.142 ( -1.098 -1.945 7.443) 7.771 7.142 ( -1.098 1.945 7.443) 7.771 7.973 ( 0.719 -8.205 14.801) 16.939 7.973 ( 0.719 8.205 14.801) 16.939 8.033 ( -2.317 -9.456 14.424) 17.402 8.033 ( -2.317 9.456 14.424) 17.402 8.282 ( 4.757 -9.448 -1.581) 10.695 8.282 ( 4.757 9.448 -1.581) 10.695 8.385 ( -0.591 -8.990 -5.733) 10.679 8.385 ( -0.591 8.990 -5.733) 10.679 8.752 ( 3.842 -0.696 -5.142) 6.456 8.752 ( 3.842 0.696 -5.142) 6.456 9.030 ( -7.539 -0.726 -7.372) 10.569 9.030 ( -7.539 0.727 -7.372) 10.569 10.058 ( 1.971 -0.382 -11.301) 11.477 10.058 ( 1.971 0.382 -11.301) 11.477 10.177 ( -3.435 -1.672 -7.031) 8.002 10.177 ( -3.435 1.672 -7.031) 8.002 11.393 ( 5.288 -4.540 1.120) 7.059 11.393 ( 5.288 4.540 1.120) 7.059 11.536 ( -1.430 -1.910 -0.447) 2.428 11.536 ( -1.430 1.910 -0.447) 2.428 12.076 ( 3.538 -5.815 -5.025) 8.461 12.076 ( 3.538 5.815 -5.025) 8.461 12.286 ( -5.139 -6.787 -5.028) 9.887 12.286 ( -5.139 6.787 -5.028) 9.887 12.915 ( 0.104 -1.514 1.000) 1.817 12.915 ( 0.104 1.512 1.000) 1.816 12.916 ( 0.095 -4.921 0.774) 4.982 12.916 ( 0.095 4.922 0.774) 4.984 14.505 ( 0.609 -0.535 -0.270) 0.855 14.505 ( 0.609 0.535 -0.270) 0.855 14.533 ( -0.581 -0.478 -1.481) 1.662 14.533 ( -0.581 0.478 -1.481) 1.662 18.010 ( 1.961 -4.396 6.145) 7.806 18.010 ( 1.961 4.396 6.145) 7.806 18.111 ( -2.344 -3.806 5.304) 6.936 18.111 ( -2.344 3.806 5.304) 6.936 20.557 ( 0.261 -9.472 1.087) 9.538 20.557 ( 0.261 9.472 1.087) 9.538 20.573 ( -0.394 -8.618 0.297) 8.632 20.573 ( -0.394 8.618 0.297) 8.632 22.328 ( 2.746 -5.703 -4.169) 7.579 22.328 ( 2.746 5.703 -4.169) 7.579 22.449 ( -2.409 -5.427 -4.582) 7.500 22.449 ( -2.409 5.427 -4.582) 7.500 29.074 ( 0.565 -0.196 0.308) 0.673 29.074 ( 0.565 0.196 0.308) 0.673 29.100 ( -0.527 -0.044 0.174) 0.557 29.100 ( -0.527 0.044 0.174) 0.557 30.271 ( 1.629 -3.326 4.758) 6.029 30.271 ( 1.629 3.326 4.758) 6.029 30.377 ( -3.353 -3.295 4.975) 6.845 30.377 ( -3.353 3.295 4.975) 6.845 30.720 ( 4.131 -2.113 1.012) 4.749 30.720 ( 4.131 2.113 1.012) 4.749 30.865 ( -2.519 -2.864 1.523) 4.107 30.865 ( -2.519 2.864 1.523) 4.107 31.160 ( 1.278 -1.192 -2.371) 2.946 31.160 ( 1.278 1.192 -2.371) 2.946 31.215 ( -1.062 -1.216 -2.191) 2.721 31.215 ( -1.062 1.216 -2.191) 2.721 32.025 ( 0.251 -0.312 -4.888) 4.904 32.025 ( 0.251 0.312 -4.888) 4.904 32.040 ( -0.361 -0.936 -2.800) 2.975 32.040 ( -0.361 0.936 -2.800) 2.975 ======================= Grid point 194 (72/72) ======================= q-point: (-0.50 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -7.833 -4.412 0.602) 9.010 1.796 ( 5.354 -3.361 0.602) 6.350 1.796 ( -5.354 3.361 0.602) 6.350 1.796 ( 7.833 4.412 0.602) 9.010 2.433 ( -9.384 -5.700 1.028) 11.027 2.433 ( 2.056 -3.395 1.028) 4.100 2.433 ( -2.056 3.395 1.028) 4.100 2.433 ( 9.384 5.700 1.028) 11.027 2.824 ( -5.414 -1.902 -1.519) 5.936 2.824 ( -3.853 -0.051 -1.519) 4.142 2.824 ( 3.853 0.052 -1.519) 4.142 2.824 ( 5.414 1.902 -1.519) 5.936 3.151 ( -5.660 -1.559 0.778) 5.922 3.151 ( -4.938 0.719 0.778) 5.050 3.151 ( 4.938 -0.719 0.778) 5.050 3.151 ( 5.660 1.559 0.778) 5.922 3.937 ( -7.811 -2.576 -0.177) 8.227 3.937 ( -7.698 2.489 -0.177) 8.093 3.937 ( 7.699 -2.489 -0.177) 8.093 3.937 ( 7.811 2.576 -0.177) 8.227 4.613 ( -0.800 -6.080 -0.221) 6.137 4.613 ( 0.661 -6.076 -0.221) 6.116 4.613 ( -0.661 6.076 -0.221) 6.116 4.613 ( 0.800 6.080 -0.221) 6.137 5.395 ( -3.183 -8.728 2.180) 9.542 5.395 ( 1.723 -8.624 2.180) 9.061 5.395 ( -1.723 8.624 2.180) 9.061 5.395 ( 3.183 8.728 2.180) 9.542 7.108 ( -2.247 -3.434 8.625) 9.552 7.108 ( 1.322 -3.312 8.625) 9.333 7.108 ( -1.322 3.312 8.625) 9.333 7.108 ( 2.247 3.434 8.625) 9.552 7.995 ( -1.665 -9.026 15.140) 17.705 7.995 ( 1.665 -9.026 15.140) 17.705 7.995 ( -1.665 9.026 15.140) 17.705 7.995 ( 1.665 9.026 15.140) 17.705 8.357 ( -2.583 -10.376 -3.680) 11.308 8.357 ( 2.435 -10.367 -3.680) 11.267 8.357 ( -2.435 10.367 -3.680) 11.267 8.357 ( 2.583 10.376 -3.680) 11.308 8.869 ( -7.000 -2.893 -6.614) 10.056 8.869 ( -5.756 -2.098 -6.614) 9.016 8.869 ( 5.756 2.098 -6.614) 9.016 8.869 ( 7.000 2.893 -6.614) 10.056 10.109 ( -1.826 -4.175 -9.409) 10.454 10.109 ( -0.641 -4.086 -9.409) 10.278 10.109 ( 0.641 4.086 -9.409) 10.278 10.109 ( 1.826 4.175 -9.409) 10.454 11.487 ( -2.752 -7.190 0.749) 7.735 11.487 ( 1.024 -7.076 0.749) 7.189 11.487 ( -1.024 7.076 0.749) 7.189 11.487 ( 2.752 7.190 0.749) 7.735 12.171 ( -6.110 -7.371 -5.326) 10.956 12.171 ( 4.742 -7.114 -5.326) 10.073 12.171 ( -4.742 7.114 -5.326) 10.073 12.171 ( 6.110 7.371 -5.326) 10.956 12.917 ( -0.024 -6.371 0.938) 6.440 12.917 ( 0.024 -6.371 0.938) 6.440 12.917 ( -0.024 6.371 0.938) 6.440 12.917 ( 0.024 6.371 0.938) 6.440 14.519 ( -0.804 -0.574 -0.889) 1.329 14.519 ( 0.262 -0.430 -0.889) 1.022 14.519 ( -0.262 0.430 -0.889) 1.022 14.519 ( 0.804 0.574 -0.889) 1.329 18.058 ( -3.011 -4.185 5.769) 7.737 18.058 ( 2.937 -4.172 5.769) 7.701 18.058 ( -2.937 4.172 5.769) 7.701 18.058 ( 3.011 4.185 5.769) 7.737 20.564 ( -0.466 -9.041 0.676) 9.078 20.564 ( 0.466 -9.041 0.676) 9.078 20.564 ( -0.466 9.041 0.676) 9.078 20.564 ( 0.466 9.041 0.676) 9.078 22.390 ( -3.536 -5.850 -4.392) 8.125 22.390 ( 3.298 -5.815 -4.392) 7.999 22.390 ( -3.298 5.815 -4.392) 7.999 22.390 ( 3.536 5.850 -4.392) 8.125 29.087 ( -0.760 -0.123 0.235) 0.805 29.087 ( -0.734 0.074 0.235) 0.775 29.087 ( 0.734 -0.074 0.235) 0.775 29.087 ( 0.760 0.123 0.235) 0.805 30.315 ( -2.721 -4.056 4.739) 6.805 30.315 ( 1.756 -3.920 4.739) 6.396 30.315 ( -1.756 3.920 4.739) 6.396 30.315 ( 2.721 4.056 4.739) 6.805 30.801 ( -2.413 -7.397 1.311) 7.891 30.801 ( 0.414 -7.301 1.311) 7.429 30.801 ( -0.414 7.301 1.311) 7.429 30.801 ( 2.413 7.397 1.311) 7.891 31.189 ( -1.563 -1.615 -2.170) 3.124 31.189 ( 1.086 -1.515 -2.170) 2.860 31.189 ( -1.086 1.515 -2.170) 2.860 31.189 ( 1.563 1.615 -2.170) 3.124 32.032 ( -0.441 -0.679 -3.871) 3.955 32.032 ( 0.422 -0.676 -3.871) 3.952 32.032 ( -0.422 0.676 -3.871) 3.952 32.032 ( 0.441 0.679 -3.871) 3.955 =================== 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 3/25344 10.0 451.832 314.178 370.417 0.000 0.000 -0.000 3/25344 20.0 63.207 63.285 59.733 0.000 0.000 0.000 3/25344 30.0 23.398 25.558 24.520 0.000 0.000 0.000 3/25344 40.0 13.101 14.848 14.566 0.000 0.000 0.000 3/25344 50.0 8.894 10.410 10.339 0.000 0.000 0.000 3/25344 60.0 6.696 8.087 8.086 0.000 0.000 0.000 3/25344 70.0 5.369 6.684 6.711 0.000 0.000 0.000 3/25344 80.0 4.487 5.758 5.796 0.000 0.000 0.000 3/25344 90.0 3.862 5.109 5.150 0.000 0.000 0.000 3/25344 100.0 3.396 4.633 4.674 0.000 0.000 0.000 3/25344 110.0 3.036 4.271 4.310 0.000 0.000 0.000 3/25344 120.0 2.750 3.987 4.023 0.000 0.000 0.000 3/25344 130.0 2.516 3.757 3.791 0.000 0.000 0.000 3/25344 140.0 2.322 3.566 3.599 0.000 0.000 0.000 3/25344 150.0 2.157 3.403 3.436 0.000 0.000 0.000 3/25344 160.0 2.016 3.262 3.295 0.000 0.000 0.000 3/25344 170.0 1.893 3.137 3.171 0.000 0.000 0.000 3/25344 180.0 1.786 3.025 3.061 0.000 0.000 0.000 3/25344 190.0 1.690 2.924 2.962 0.000 0.000 0.000 3/25344 200.0 1.606 2.831 2.871 0.000 0.000 0.000 3/25344 210.0 1.530 2.745 2.788 0.000 0.000 0.000 3/25344 220.0 1.461 2.666 2.710 0.000 0.000 0.000 3/25344 230.0 1.399 2.591 2.638 0.000 0.000 0.000 3/25344 240.0 1.342 2.521 2.571 0.000 0.000 0.000 3/25344 250.0 1.290 2.455 2.507 0.000 0.000 0.000 3/25344 260.0 1.242 2.392 2.447 0.000 0.000 0.000 3/25344 270.0 1.198 2.333 2.390 0.000 0.000 0.000 3/25344 280.0 1.157 2.276 2.336 0.000 0.000 0.000 3/25344 290.0 1.119 2.223 2.285 0.000 0.000 0.000 3/25344 300.0 1.084 2.171 2.235 0.000 0.000 0.000 3/25344 310.0 1.051 2.122 2.188 0.000 0.000 0.000 3/25344 320.0 1.020 2.075 2.143 0.000 0.000 0.000 3/25344 330.0 0.991 2.030 2.100 0.000 0.000 0.000 3/25344 340.0 0.964 1.987 2.059 0.000 0.000 0.000 3/25344 350.0 0.938 1.946 2.019 0.000 0.000 0.000 3/25344 360.0 0.914 1.906 1.980 0.000 0.000 0.000 3/25344 370.0 0.891 1.867 1.943 0.000 0.000 0.000 3/25344 380.0 0.869 1.831 1.908 0.000 0.000 0.000 3/25344 390.0 0.849 1.795 1.873 0.000 0.000 0.000 3/25344 400.0 0.829 1.761 1.840 0.000 0.000 0.000 3/25344 410.0 0.810 1.728 1.808 0.000 0.000 0.000 3/25344 420.0 0.792 1.696 1.777 0.000 0.000 0.000 3/25344 430.0 0.775 1.665 1.747 0.000 0.000 0.000 3/25344 440.0 0.759 1.635 1.717 0.000 0.000 0.000 3/25344 450.0 0.744 1.606 1.689 0.000 0.000 0.000 3/25344 460.0 0.729 1.578 1.662 0.000 0.000 0.000 3/25344 470.0 0.714 1.551 1.635 0.000 0.000 0.000 3/25344 480.0 0.701 1.525 1.609 0.000 0.000 0.000 3/25344 490.0 0.687 1.500 1.584 0.000 0.000 0.000 3/25344 500.0 0.675 1.475 1.560 0.000 0.000 0.000 3/25344 510.0 0.662 1.451 1.536 0.000 0.000 0.000 3/25344 520.0 0.651 1.428 1.513 0.000 0.000 0.000 3/25344 530.0 0.639 1.405 1.490 0.000 0.000 0.000 3/25344 540.0 0.628 1.384 1.469 0.000 0.000 0.000 3/25344 550.0 0.618 1.363 1.447 0.000 0.000 0.000 3/25344 560.0 0.607 1.342 1.427 0.000 0.000 0.000 3/25344 570.0 0.597 1.322 1.407 0.000 0.000 0.000 3/25344 580.0 0.588 1.303 1.387 0.000 0.000 0.000 3/25344 590.0 0.579 1.284 1.368 0.000 0.000 0.000 3/25344 600.0 0.570 1.265 1.349 0.000 0.000 0.000 3/25344 610.0 0.561 1.247 1.331 0.000 0.000 0.000 3/25344 620.0 0.552 1.230 1.314 0.000 0.000 0.000 3/25344 630.0 0.544 1.213 1.296 0.000 0.000 0.000 3/25344 640.0 0.536 1.196 1.279 0.000 0.000 0.000 3/25344 650.0 0.528 1.180 1.263 0.000 0.000 0.000 3/25344 660.0 0.521 1.165 1.247 0.000 0.000 0.000 3/25344 670.0 0.514 1.149 1.231 0.000 0.000 0.000 3/25344 680.0 0.507 1.134 1.216 0.000 0.000 0.000 3/25344 690.0 0.500 1.120 1.201 0.000 0.000 0.000 3/25344 700.0 0.493 1.106 1.186 0.000 0.000 0.000 3/25344 710.0 0.486 1.092 1.172 0.000 0.000 0.000 3/25344 720.0 0.480 1.078 1.158 0.000 0.000 0.000 3/25344 730.0 0.474 1.065 1.144 0.000 0.000 0.000 3/25344 740.0 0.468 1.052 1.131 0.000 0.000 0.000 3/25344 750.0 0.462 1.039 1.118 0.000 0.000 0.000 3/25344 760.0 0.456 1.027 1.105 0.000 0.000 0.000 3/25344 770.0 0.450 1.015 1.093 0.000 0.000 0.000 3/25344 780.0 0.445 1.003 1.080 0.000 0.000 0.000 3/25344 790.0 0.440 0.992 1.068 0.000 0.000 0.000 3/25344 800.0 0.434 0.980 1.057 0.000 0.000 0.000 3/25344 810.0 0.429 0.969 1.045 0.000 0.000 0.000 3/25344 820.0 0.424 0.958 1.034 0.000 0.000 0.000 3/25344 830.0 0.419 0.948 1.023 0.000 0.000 0.000 3/25344 840.0 0.415 0.938 1.012 0.000 0.000 0.000 3/25344 850.0 0.410 0.927 1.002 0.000 0.000 0.000 3/25344 860.0 0.405 0.917 0.991 0.000 0.000 0.000 3/25344 870.0 0.401 0.908 0.981 0.000 0.000 0.000 3/25344 880.0 0.397 0.898 0.971 0.000 0.000 0.000 3/25344 890.0 0.392 0.889 0.961 0.000 0.000 0.000 3/25344 900.0 0.388 0.880 0.952 0.000 0.000 0.000 3/25344 910.0 0.384 0.871 0.942 0.000 0.000 0.000 3/25344 920.0 0.380 0.862 0.933 0.000 0.000 0.000 3/25344 930.0 0.376 0.853 0.924 0.000 0.000 0.000 3/25344 940.0 0.372 0.845 0.915 0.000 0.000 0.000 3/25344 950.0 0.369 0.837 0.906 0.000 0.000 0.000 3/25344 960.0 0.365 0.828 0.898 0.000 0.000 0.000 3/25344 970.0 0.361 0.820 0.889 0.000 0.000 0.000 3/25344 980.0 0.358 0.813 0.881 0.000 0.000 0.000 3/25344 990.0 0.354 0.805 0.873 0.000 0.000 0.000 3/25344 1000.0 0.351 0.797 0.865 0.000 0.000 0.000 3/25344 Thermal conductivity related properties were written into "kappa-m4611.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:28:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|