----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:12:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.536213979999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.714157560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.037197729999999 Atomic positions (fractional): *1 O 0.58148828865256 0.39450585484022 0.33658515072371 15.999 2 O 0.58148828865256 0.10549414515978 0.16341484927629 15.999 3 O 0.91851171134744 0.60549414515978 0.33658515072371 15.999 4 O 0.91851171134744 0.89450585484022 0.16341484927629 15.999 5 O 0.08148828865256 0.39450585484022 0.66341484927629 15.999 6 O 0.08148828865256 0.10549414515978 0.83658515072371 15.999 *7 O 0.05328951937069 0.37102146425546 0.09155156456668 15.999 8 O 0.05328951937069 0.12897853574454 0.40844843543332 15.999 9 O 0.44671048062931 0.62897853574454 0.09155156456668 15.999 10 O 0.44671048062931 0.87102146425546 0.40844843543332 15.999 11 O 0.94671048062931 0.62897853574454 0.90844843543332 15.999 12 O 0.94671048062931 0.87102146425546 0.59155156456668 15.999 13 O 0.55328951937069 0.37102146425546 0.90844843543332 15.999 14 O 0.55328951937069 0.12897853574454 0.59155156456668 15.999 15 O 0.41851171134744 0.60549414515978 0.66341484927629 15.999 16 O 0.41851171134744 0.89450585484022 0.83658515072371 15.999 *17 Ag 0.29261250416518 0.37291383345091 0.24155673447542 107.868 *18 Ag 0.07931502334863 0.26356202937967 0.53246037717811 107.868 19 Ag 0.42068497665137 0.76356202937967 0.96753962282189 107.868 20 Ag 0.07931502334863 0.23643797062033 0.96753962282189 107.868 21 Ag 0.92068497665137 0.76356202937967 0.03246037717811 107.868 22 Ag 0.92068497665137 0.73643797062033 0.46753962282189 107.868 23 Ag 0.57931502334863 0.23643797062033 0.03246037717811 107.868 24 Ag 0.57931502334863 0.26356202937967 0.46753962282189 107.868 *25 Ag 0.39691319116591 0.25000000000000 0.75000000000000 107.868 26 Ag 0.10308680883409 0.75000000000000 0.75000000000000 107.868 27 Ag 0.60308680883409 0.75000000000000 0.25000000000000 107.868 28 Ag 0.89691319116591 0.25000000000000 0.25000000000000 107.868 29 Ag 0.20738749583482 0.62708616654909 0.24155673447542 107.868 30 Ag 0.20738749583482 0.87291383345091 0.25844326552458 107.868 31 Ag 0.70738749583482 0.62708616654909 0.75844326552458 107.868 32 Ag 0.70738749583482 0.87291383345091 0.74155673447542 107.868 33 Ag 0.79261250416518 0.37291383345091 0.75844326552458 107.868 34 Ag 0.79261250416518 0.12708616654909 0.74155673447542 107.868 *35 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 36 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 37 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 38 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 39 Ag 0.42068497665137 0.73643797062033 0.53246037717811 107.868 40 Ag 0.29261250416518 0.12708616654909 0.25844326552458 107.868 *41 Ba 0.25000000000000 0.50000000000000 0.87870730516052 137.327 42 Ba 0.25000000000000 0.00000000000000 0.62129269483948 137.327 43 Ba 0.75000000000000 0.50000000000000 0.12129269483948 137.327 44 Ba 0.75000000000000 0.00000000000000 0.37870730516052 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.536213979999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.714157560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.037197729999999 Atomic positions (fractional): *1 O 0.58148828865256 0.39450585484022 0.33658515072371 15.999 > 1 2 O 0.58148828865256 0.10549414515978 0.16341484927629 15.999 > 2 3 O 0.91851171134744 0.60549414515978 0.33658515072371 15.999 > 3 4 O 0.91851171134744 0.89450585484022 0.16341484927629 15.999 > 4 5 O 0.08148828865256 0.39450585484022 0.66341484927629 15.999 > 5 6 O 0.08148828865256 0.10549414515978 0.83658515072371 15.999 > 6 *7 O 0.05328951937069 0.37102146425546 0.09155156456668 15.999 > 7 8 O 0.05328951937069 0.12897853574454 0.40844843543332 15.999 > 8 9 O 0.44671048062931 0.62897853574454 0.09155156456668 15.999 > 9 10 O 0.44671048062931 0.87102146425546 0.40844843543332 15.999 > 10 11 O 0.94671048062931 0.62897853574454 0.90844843543332 15.999 > 11 12 O 0.94671048062931 0.87102146425546 0.59155156456668 15.999 > 12 13 O 0.55328951937069 0.37102146425546 0.90844843543332 15.999 > 13 14 O 0.55328951937069 0.12897853574454 0.59155156456668 15.999 > 14 15 O 0.41851171134744 0.60549414515978 0.66341484927629 15.999 > 15 16 O 0.41851171134744 0.89450585484022 0.83658515072371 15.999 > 16 *17 Ag 0.29261250416518 0.37291383345091 0.24155673447542 107.868 > 17 *18 Ag 0.07931502334863 0.26356202937967 0.53246037717811 107.868 > 18 19 Ag 0.42068497665137 0.76356202937967 0.96753962282189 107.868 > 19 20 Ag 0.07931502334863 0.23643797062033 0.96753962282189 107.868 > 20 21 Ag 0.92068497665137 0.76356202937967 0.03246037717811 107.868 > 21 22 Ag 0.92068497665137 0.73643797062033 0.46753962282189 107.868 > 22 23 Ag 0.57931502334863 0.23643797062033 0.03246037717811 107.868 > 23 24 Ag 0.57931502334863 0.26356202937967 0.46753962282189 107.868 > 24 *25 Ag 0.39691319116591 0.25000000000000 0.75000000000000 107.868 > 25 26 Ag 0.10308680883409 0.75000000000000 0.75000000000000 107.868 > 26 27 Ag 0.60308680883409 0.75000000000000 0.25000000000000 107.868 > 27 28 Ag 0.89691319116591 0.25000000000000 0.25000000000000 107.868 > 28 29 Ag 0.20738749583482 0.62708616654909 0.24155673447542 107.868 > 29 30 Ag 0.20738749583482 0.87291383345091 0.25844326552458 107.868 > 30 31 Ag 0.70738749583482 0.62708616654909 0.75844326552458 107.868 > 31 32 Ag 0.70738749583482 0.87291383345091 0.74155673447542 107.868 > 32 33 Ag 0.79261250416518 0.37291383345091 0.75844326552458 107.868 > 33 34 Ag 0.79261250416518 0.12708616654909 0.74155673447542 107.868 > 34 *35 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 35 36 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 36 37 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 37 38 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 38 39 Ag 0.42068497665137 0.73643797062033 0.53246037717811 107.868 > 39 40 Ag 0.29261250416518 0.12708616654909 0.25844326552458 107.868 > 40 *41 Ba 0.25000000000000 0.50000000000000 0.87870730516052 137.327 > 41 42 Ba 0.25000000000000 0.00000000000000 0.62129269483948 137.327 > 42 43 Ba 0.75000000000000 0.50000000000000 0.12129269483948 137.327 > 43 44 Ba 0.75000000000000 0.00000000000000 0.37870730516052 137.327 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.072427959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.714157560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.037197729999999 Atomic positions (fractional): *1 O 0.29074414432628 0.39450585484022 0.33658515072371 15.999 > 1 2 O 0.79074414432628 0.39450585484022 0.33658515072371 15.999 > 1 3 O 0.29074414432628 0.10549414515978 0.16341484927629 15.999 > 2 4 O 0.79074414432628 0.10549414515978 0.16341484927629 15.999 > 2 5 O 0.45925585567372 0.60549414515978 0.33658515072371 15.999 > 3 6 O 0.95925585567372 0.60549414515978 0.33658515072371 15.999 > 3 7 O 0.45925585567372 0.89450585484022 0.16341484927629 15.999 > 4 8 O 0.95925585567372 0.89450585484022 0.16341484927629 15.999 > 4 9 O 0.04074414432628 0.39450585484022 0.66341484927629 15.999 > 5 10 O 0.54074414432628 0.39450585484022 0.66341484927629 15.999 > 5 11 O 0.04074414432628 0.10549414515978 0.83658515072371 15.999 > 6 12 O 0.54074414432628 0.10549414515978 0.83658515072371 15.999 > 6 *13 O 0.02664475968534 0.37102146425546 0.09155156456668 15.999 > 7 14 O 0.52664475968534 0.37102146425546 0.09155156456668 15.999 > 7 15 O 0.02664475968534 0.12897853574454 0.40844843543332 15.999 > 8 16 O 0.52664475968534 0.12897853574454 0.40844843543332 15.999 > 8 17 O 0.22335524031466 0.62897853574454 0.09155156456668 15.999 > 9 18 O 0.72335524031466 0.62897853574454 0.09155156456668 15.999 > 9 19 O 0.22335524031466 0.87102146425546 0.40844843543332 15.999 > 10 20 O 0.72335524031466 0.87102146425546 0.40844843543332 15.999 > 10 21 O 0.47335524031466 0.62897853574454 0.90844843543332 15.999 > 11 22 O 0.97335524031466 0.62897853574454 0.90844843543332 15.999 > 11 23 O 0.47335524031466 0.87102146425546 0.59155156456668 15.999 > 12 24 O 0.97335524031466 0.87102146425546 0.59155156456668 15.999 > 12 25 O 0.27664475968534 0.37102146425546 0.90844843543332 15.999 > 13 26 O 0.77664475968534 0.37102146425546 0.90844843543332 15.999 > 13 27 O 0.27664475968534 0.12897853574454 0.59155156456668 15.999 > 14 28 O 0.77664475968534 0.12897853574454 0.59155156456668 15.999 > 14 29 O 0.20925585567372 0.60549414515978 0.66341484927629 15.999 > 15 30 O 0.70925585567372 0.60549414515978 0.66341484927629 15.999 > 15 31 O 0.20925585567372 0.89450585484022 0.83658515072371 15.999 > 16 32 O 0.70925585567372 0.89450585484022 0.83658515072371 15.999 > 16 *33 Ag 0.14630625208259 0.37291383345091 0.24155673447542 107.868 > 17 34 Ag 0.64630625208259 0.37291383345091 0.24155673447542 107.868 > 17 *35 Ag 0.03965751167431 0.26356202937967 0.53246037717811 107.868 > 18 36 Ag 0.53965751167431 0.26356202937967 0.53246037717811 107.868 > 18 37 Ag 0.21034248832569 0.76356202937967 0.96753962282189 107.868 > 19 38 Ag 0.71034248832569 0.76356202937967 0.96753962282189 107.868 > 19 39 Ag 0.03965751167431 0.23643797062033 0.96753962282189 107.868 > 20 40 Ag 0.53965751167431 0.23643797062033 0.96753962282189 107.868 > 20 41 Ag 0.46034248832569 0.76356202937967 0.03246037717811 107.868 > 21 42 Ag 0.96034248832569 0.76356202937967 0.03246037717811 107.868 > 21 43 Ag 0.46034248832569 0.73643797062033 0.46753962282189 107.868 > 22 44 Ag 0.96034248832569 0.73643797062033 0.46753962282189 107.868 > 22 45 Ag 0.28965751167431 0.23643797062033 0.03246037717811 107.868 > 23 46 Ag 0.78965751167431 0.23643797062033 0.03246037717811 107.868 > 23 47 Ag 0.28965751167431 0.26356202937967 0.46753962282189 107.868 > 24 48 Ag 0.78965751167431 0.26356202937967 0.46753962282189 107.868 > 24 *49 Ag 0.19845659558296 0.25000000000000 0.75000000000000 107.868 > 25 50 Ag 0.69845659558296 0.25000000000000 0.75000000000000 107.868 > 25 51 Ag 0.05154340441704 0.75000000000000 0.75000000000000 107.868 > 26 52 Ag 0.55154340441704 0.75000000000000 0.75000000000000 107.868 > 26 53 Ag 0.30154340441704 0.75000000000000 0.25000000000000 107.868 > 27 54 Ag 0.80154340441704 0.75000000000000 0.25000000000000 107.868 > 27 55 Ag 0.44845659558296 0.25000000000000 0.25000000000000 107.868 > 28 56 Ag 0.94845659558296 0.25000000000000 0.25000000000000 107.868 > 28 57 Ag 0.10369374791741 0.62708616654909 0.24155673447542 107.868 > 29 58 Ag 0.60369374791741 0.62708616654909 0.24155673447542 107.868 > 29 59 Ag 0.10369374791741 0.87291383345091 0.25844326552458 107.868 > 30 60 Ag 0.60369374791741 0.87291383345091 0.25844326552458 107.868 > 30 61 Ag 0.35369374791741 0.62708616654909 0.75844326552458 107.868 > 31 62 Ag 0.85369374791741 0.62708616654909 0.75844326552458 107.868 > 31 63 Ag 0.35369374791741 0.87291383345091 0.74155673447542 107.868 > 32 64 Ag 0.85369374791741 0.87291383345091 0.74155673447542 107.868 > 32 65 Ag 0.39630625208259 0.37291383345091 0.75844326552458 107.868 > 33 66 Ag 0.89630625208259 0.37291383345091 0.75844326552458 107.868 > 33 67 Ag 0.39630625208259 0.12708616654909 0.74155673447542 107.868 > 34 68 Ag 0.89630625208259 0.12708616654909 0.74155673447542 107.868 > 34 *69 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 35 70 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 35 71 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 36 72 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 36 73 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 37 74 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 37 75 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 38 76 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 38 77 Ag 0.21034248832569 0.73643797062033 0.53246037717811 107.868 > 39 78 Ag 0.71034248832569 0.73643797062033 0.53246037717811 107.868 > 39 79 Ag 0.14630625208259 0.12708616654909 0.25844326552458 107.868 > 40 80 Ag 0.64630625208259 0.12708616654909 0.25844326552458 107.868 > 40 *81 Ba 0.12500000000000 0.50000000000000 0.87870730516052 137.327 > 41 82 Ba 0.62500000000000 0.50000000000000 0.87870730516052 137.327 > 41 83 Ba 0.12500000000000 0.00000000000000 0.62129269483948 137.327 > 42 84 Ba 0.62500000000000 0.00000000000000 0.62129269483948 137.327 > 42 85 Ba 0.37500000000000 0.50000000000000 0.12129269483948 137.327 > 43 86 Ba 0.87500000000000 0.50000000000000 0.12129269483948 137.327 > 43 87 Ba 0.37500000000000 0.00000000000000 0.37870730516052 137.327 > 44 88 Ba 0.87500000000000 0.00000000000000 0.37870730516052 137.327 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6807726 0.0000000 0.0000000 0.0000000 7.5536309 0.0000000 0.0000000 0.0000000 7.7442711 -------------------------- Born effective charges -------------------------- 1 O -1.7028451 -0.0043970 -0.1438546 -0.0502321 -2.0964568 -0.0470495 0.1421539 0.1872096 -1.9323380 2 O -1.7028451 0.0043970 0.1438546 0.0502321 -2.0964568 -0.0470495 -0.1421539 0.1872096 -1.9323380 3 O -1.7028451 -0.0043970 0.1438546 -0.0502321 -2.0964568 0.0470495 -0.1421539 -0.1872096 -1.9323380 4 O -1.7028451 0.0043970 -0.1438546 0.0502321 -2.0964568 0.0470495 0.1421539 -0.1872096 -1.9323380 5 O -1.7028451 -0.0043970 0.1438546 -0.0502321 -2.0964568 0.0470495 -0.1421539 -0.1872096 -1.9323380 6 O -1.7028451 0.0043970 -0.1438546 0.0502321 -2.0964568 0.0470495 0.1421539 -0.1872096 -1.9323380 7 O -2.1651307 -0.0806994 0.1024028 0.1285885 -2.2764490 -0.1156235 -0.3268651 -0.3037417 -2.1284068 8 O -2.1651307 0.0806994 -0.1024028 -0.1285885 -2.2764490 -0.1156235 0.3268651 -0.3037417 -2.1284068 9 O -2.1651307 -0.0806994 -0.1024028 0.1285885 -2.2764490 0.1156235 0.3268651 0.3037417 -2.1284068 10 O -2.1651307 0.0806994 0.1024028 -0.1285885 -2.2764490 0.1156235 -0.3268651 0.3037417 -2.1284068 11 O -2.1651307 -0.0806994 0.1024028 0.1285885 -2.2764490 -0.1156235 -0.3268651 -0.3037417 -2.1284068 12 O -2.1651307 0.0806994 -0.1024028 -0.1285885 -2.2764490 -0.1156235 0.3268651 -0.3037417 -2.1284068 13 O -2.1651307 -0.0806994 -0.1024028 0.1285885 -2.2764490 0.1156235 0.3268651 0.3037417 -2.1284068 14 O -2.1651307 0.0806994 0.1024028 -0.1285885 -2.2764490 0.1156235 -0.3268651 0.3037417 -2.1284068 15 O -1.7028451 -0.0043970 -0.1438546 -0.0502321 -2.0964568 -0.0470495 0.1421539 0.1872096 -1.9323380 16 O -1.7028451 0.0043970 0.1438546 0.0502321 -2.0964568 -0.0470495 -0.1421539 0.1872096 -1.9323380 17 Ag 1.3210736 0.1212735 0.5997090 0.1552260 0.3137666 0.2692638 0.7978390 0.1315325 0.9025904 18 Ag 0.1151778 -0.0886520 -0.2597902 0.1402279 1.2620210 0.7627544 -0.0896847 0.8194397 0.6299990 19 Ag 0.1151778 0.0886520 -0.2597902 -0.1402279 1.2620210 -0.7627544 -0.0896847 -0.8194397 0.6299990 20 Ag 0.1151778 0.0886520 0.2597902 -0.1402279 1.2620210 0.7627544 0.0896847 0.8194397 0.6299990 21 Ag 0.1151778 0.0886520 0.2597902 -0.1402279 1.2620210 0.7627544 0.0896847 0.8194397 0.6299990 22 Ag 0.1151778 -0.0886520 -0.2597902 0.1402279 1.2620210 0.7627544 -0.0896847 0.8194397 0.6299990 23 Ag 0.1151778 0.0886520 -0.2597902 -0.1402279 1.2620210 -0.7627544 -0.0896847 -0.8194397 0.6299990 24 Ag 0.1151778 -0.0886520 0.2597902 0.1402279 1.2620210 -0.7627544 0.0896847 -0.8194397 0.6299990 25 Ag 1.5340420 0.0000000 -0.0000000 0.0000000 1.0606951 0.1212042 0.0000000 0.0338012 1.1622332 26 Ag 1.5340420 0.0000000 -0.0000000 0.0000000 1.0606951 -0.1212042 0.0000000 -0.0338012 1.1622332 27 Ag 1.5340420 0.0000000 -0.0000000 0.0000000 1.0606951 0.1212042 0.0000000 0.0338012 1.1622332 28 Ag 1.5340420 0.0000000 -0.0000000 0.0000000 1.0606951 -0.1212042 0.0000000 -0.0338012 1.1622332 29 Ag 1.3210736 0.1212735 -0.5997090 0.1552260 0.3137666 -0.2692638 -0.7978390 -0.1315325 0.9025904 30 Ag 1.3210736 -0.1212735 0.5997090 -0.1552260 0.3137666 -0.2692638 0.7978390 -0.1315325 0.9025904 31 Ag 1.3210736 0.1212735 0.5997090 0.1552260 0.3137666 0.2692638 0.7978390 0.1315325 0.9025904 32 Ag 1.3210736 -0.1212735 -0.5997090 -0.1552260 0.3137666 0.2692638 -0.7978390 0.1315325 0.9025904 33 Ag 1.3210736 0.1212735 -0.5997090 0.1552260 0.3137666 -0.2692638 -0.7978390 -0.1315325 0.9025904 34 Ag 1.3210736 -0.1212735 0.5997090 -0.1552260 0.3137666 -0.2692638 0.7978390 -0.1315325 0.9025904 35 Ag 0.3898551 0.0092297 -0.1958400 -0.2203156 0.9598892 1.0388625 -0.3258044 0.6610866 0.7459960 36 Ag 0.3898551 -0.0092297 0.1958400 0.2203156 0.9598892 1.0388625 0.3258044 0.6610866 0.7459960 37 Ag 0.3898551 0.0092297 0.1958400 -0.2203156 0.9598892 -1.0388625 0.3258044 -0.6610866 0.7459960 38 Ag 0.3898551 -0.0092297 -0.1958400 0.2203156 0.9598892 -1.0388625 -0.3258044 -0.6610866 0.7459960 39 Ag 0.1151778 -0.0886520 0.2597902 0.1402279 1.2620210 -0.7627544 0.0896847 -0.8194397 0.6299990 40 Ag 1.3210736 -0.1212735 -0.5997090 -0.1552260 0.3137666 0.2692638 -0.7978390 0.1315325 0.9025904 41 Ba 2.9395516 0.2346460 -0.0000000 -0.1107804 3.5736523 -0.0000000 0.0000000 0.0000000 3.1480816 42 Ba 2.9395516 -0.2346460 -0.0000000 0.1107804 3.5736523 -0.0000000 0.0000000 0.0000000 3.1480816 43 Ba 2.9395516 0.2346460 -0.0000000 -0.1107804 3.5736523 -0.0000000 0.0000000 0.0000000 3.1480816 44 Ba 2.9395516 -0.2346460 -0.0000000 0.1107804 3.5736523 -0.0000000 0.0000000 0.0000000 3.1480816 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2289 Number of blocks in projector: 2289 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 279 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 279 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 279 Use standard eigh solver. Tree of FC basis block matrices: - (2289, 2234), data: False |-- (279, 272), data: True |-- (279, 272), data: True |-- (279, 272), data: True |-- (480, 470), data: True |-- (484, 472), data: True |-- (488, 476), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.564 Solver_block: 200 / 720 - Time: 0.481 Solver_block: 300 / 720 - Time: 0.484 Solver_block: 400 / 720 - Time: 0.479 Solver_block: 500 / 720 - Time: 0.482 Solver_block: 600 / 720 - Time: 0.484 Solver_block: 700 / 720 - Time: 0.476 Solver_block: 720 / 720 - Time: 0.192 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.725 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2289 Number of blocks in projector: 2289 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 279 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 279 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 279 Use standard eigh solver. Tree of FC basis block matrices: - (2289, 2234), data: False |-- (279, 272), data: True |-- (279, 272), data: True |-- (279, 272), data: True |-- (480, 470), data: True |-- (484, 472), data: True |-- (488, 476), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:12:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:12:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.536213979999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.714157560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.037197729999999 Atomic positions (fractional): 1 O 0.58148828865256 0.39450585484022 0.33658515072371 15.999 2 O 0.58148828865256 0.10549414515978 0.16341484927629 15.999 3 O 0.91851171134744 0.60549414515978 0.33658515072371 15.999 4 O 0.91851171134744 0.89450585484022 0.16341484927629 15.999 5 O 0.08148828865256 0.39450585484022 0.66341484927629 15.999 6 O 0.08148828865256 0.10549414515978 0.83658515072371 15.999 7 O 0.05328951937069 0.37102146425546 0.09155156456668 15.999 8 O 0.05328951937069 0.12897853574454 0.40844843543332 15.999 9 O 0.44671048062931 0.62897853574454 0.09155156456668 15.999 10 O 0.44671048062931 0.87102146425546 0.40844843543332 15.999 11 O 0.94671048062931 0.62897853574454 0.90844843543332 15.999 12 O 0.94671048062931 0.87102146425546 0.59155156456668 15.999 13 O 0.55328951937069 0.37102146425546 0.90844843543332 15.999 14 O 0.55328951937069 0.12897853574454 0.59155156456668 15.999 15 O 0.41851171134744 0.60549414515978 0.66341484927629 15.999 16 O 0.41851171134744 0.89450585484022 0.83658515072371 15.999 17 Ag 0.29261250416518 0.37291383345091 0.24155673447542 107.868 18 Ag 0.07931502334863 0.26356202937967 0.53246037717811 107.868 19 Ag 0.42068497665137 0.76356202937967 0.96753962282189 107.868 20 Ag 0.07931502334863 0.23643797062033 0.96753962282189 107.868 21 Ag 0.92068497665137 0.76356202937967 0.03246037717811 107.868 22 Ag 0.92068497665137 0.73643797062033 0.46753962282189 107.868 23 Ag 0.57931502334863 0.23643797062033 0.03246037717811 107.868 24 Ag 0.57931502334863 0.26356202937967 0.46753962282189 107.868 25 Ag 0.39691319116591 0.25000000000000 0.75000000000000 107.868 26 Ag 0.10308680883409 0.75000000000000 0.75000000000000 107.868 27 Ag 0.60308680883409 0.75000000000000 0.25000000000000 107.868 28 Ag 0.89691319116591 0.25000000000000 0.25000000000000 107.868 29 Ag 0.20738749583482 0.62708616654909 0.24155673447542 107.868 30 Ag 0.20738749583482 0.87291383345091 0.25844326552458 107.868 31 Ag 0.70738749583482 0.62708616654909 0.75844326552458 107.868 32 Ag 0.70738749583482 0.87291383345091 0.74155673447542 107.868 33 Ag 0.79261250416518 0.37291383345091 0.75844326552458 107.868 34 Ag 0.79261250416518 0.12708616654909 0.74155673447542 107.868 35 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 36 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 37 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 38 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 39 Ag 0.42068497665137 0.73643797062033 0.53246037717811 107.868 40 Ag 0.29261250416518 0.12708616654909 0.25844326552458 107.868 41 Ba 0.25000000000000 0.50000000000000 0.87870730516052 137.327 42 Ba 0.25000000000000 0.00000000000000 0.62129269483948 137.327 43 Ba 0.75000000000000 0.50000000000000 0.12129269483948 137.327 44 Ba 0.75000000000000 0.00000000000000 0.37870730516052 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.072427959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.714157560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.037197729999999 Atomic positions (fractional): 1 O 0.29074414432628 0.39450585484022 0.33658515072371 15.999 > 1 2 O 0.79074414432628 0.39450585484022 0.33658515072371 15.999 > 1 3 O 0.29074414432628 0.10549414515978 0.16341484927629 15.999 > 3 4 O 0.79074414432628 0.10549414515978 0.16341484927629 15.999 > 3 5 O 0.45925585567372 0.60549414515978 0.33658515072371 15.999 > 5 6 O 0.95925585567372 0.60549414515978 0.33658515072371 15.999 > 5 7 O 0.45925585567372 0.89450585484022 0.16341484927629 15.999 > 7 8 O 0.95925585567372 0.89450585484022 0.16341484927629 15.999 > 7 9 O 0.04074414432628 0.39450585484022 0.66341484927629 15.999 > 9 10 O 0.54074414432628 0.39450585484022 0.66341484927629 15.999 > 9 11 O 0.04074414432628 0.10549414515978 0.83658515072371 15.999 > 11 12 O 0.54074414432628 0.10549414515978 0.83658515072371 15.999 > 11 13 O 0.02664475968534 0.37102146425546 0.09155156456668 15.999 > 13 14 O 0.52664475968534 0.37102146425546 0.09155156456668 15.999 > 13 15 O 0.02664475968534 0.12897853574454 0.40844843543332 15.999 > 15 16 O 0.52664475968534 0.12897853574454 0.40844843543332 15.999 > 15 17 O 0.22335524031466 0.62897853574454 0.09155156456668 15.999 > 17 18 O 0.72335524031466 0.62897853574454 0.09155156456668 15.999 > 17 19 O 0.22335524031466 0.87102146425546 0.40844843543332 15.999 > 19 20 O 0.72335524031466 0.87102146425546 0.40844843543332 15.999 > 19 21 O 0.47335524031466 0.62897853574454 0.90844843543332 15.999 > 21 22 O 0.97335524031466 0.62897853574454 0.90844843543332 15.999 > 21 23 O 0.47335524031466 0.87102146425546 0.59155156456668 15.999 > 23 24 O 0.97335524031466 0.87102146425546 0.59155156456668 15.999 > 23 25 O 0.27664475968534 0.37102146425546 0.90844843543332 15.999 > 25 26 O 0.77664475968534 0.37102146425546 0.90844843543332 15.999 > 25 27 O 0.27664475968534 0.12897853574454 0.59155156456668 15.999 > 27 28 O 0.77664475968534 0.12897853574454 0.59155156456668 15.999 > 27 29 O 0.20925585567372 0.60549414515978 0.66341484927629 15.999 > 29 30 O 0.70925585567372 0.60549414515978 0.66341484927629 15.999 > 29 31 O 0.20925585567372 0.89450585484022 0.83658515072371 15.999 > 31 32 O 0.70925585567372 0.89450585484022 0.83658515072371 15.999 > 31 33 Ag 0.14630625208259 0.37291383345091 0.24155673447542 107.868 > 33 34 Ag 0.64630625208259 0.37291383345091 0.24155673447542 107.868 > 33 35 Ag 0.03965751167431 0.26356202937967 0.53246037717811 107.868 > 35 36 Ag 0.53965751167431 0.26356202937967 0.53246037717811 107.868 > 35 37 Ag 0.21034248832569 0.76356202937967 0.96753962282189 107.868 > 37 38 Ag 0.71034248832569 0.76356202937967 0.96753962282189 107.868 > 37 39 Ag 0.03965751167431 0.23643797062033 0.96753962282189 107.868 > 39 40 Ag 0.53965751167431 0.23643797062033 0.96753962282189 107.868 > 39 41 Ag 0.46034248832569 0.76356202937967 0.03246037717811 107.868 > 41 42 Ag 0.96034248832569 0.76356202937967 0.03246037717811 107.868 > 41 43 Ag 0.46034248832569 0.73643797062033 0.46753962282189 107.868 > 43 44 Ag 0.96034248832569 0.73643797062033 0.46753962282189 107.868 > 43 45 Ag 0.28965751167431 0.23643797062033 0.03246037717811 107.868 > 45 46 Ag 0.78965751167431 0.23643797062033 0.03246037717811 107.868 > 45 47 Ag 0.28965751167431 0.26356202937967 0.46753962282189 107.868 > 47 48 Ag 0.78965751167431 0.26356202937967 0.46753962282189 107.868 > 47 49 Ag 0.19845659558296 0.25000000000000 0.75000000000000 107.868 > 49 50 Ag 0.69845659558296 0.25000000000000 0.75000000000000 107.868 > 49 51 Ag 0.05154340441704 0.75000000000000 0.75000000000000 107.868 > 51 52 Ag 0.55154340441704 0.75000000000000 0.75000000000000 107.868 > 51 53 Ag 0.30154340441704 0.75000000000000 0.25000000000000 107.868 > 53 54 Ag 0.80154340441704 0.75000000000000 0.25000000000000 107.868 > 53 55 Ag 0.44845659558296 0.25000000000000 0.25000000000000 107.868 > 55 56 Ag 0.94845659558296 0.25000000000000 0.25000000000000 107.868 > 55 57 Ag 0.10369374791741 0.62708616654909 0.24155673447542 107.868 > 57 58 Ag 0.60369374791741 0.62708616654909 0.24155673447542 107.868 > 57 59 Ag 0.10369374791741 0.87291383345091 0.25844326552458 107.868 > 59 60 Ag 0.60369374791741 0.87291383345091 0.25844326552458 107.868 > 59 61 Ag 0.35369374791741 0.62708616654909 0.75844326552458 107.868 > 61 62 Ag 0.85369374791741 0.62708616654909 0.75844326552458 107.868 > 61 63 Ag 0.35369374791741 0.87291383345091 0.74155673447542 107.868 > 63 64 Ag 0.85369374791741 0.87291383345091 0.74155673447542 107.868 > 63 65 Ag 0.39630625208259 0.37291383345091 0.75844326552458 107.868 > 65 66 Ag 0.89630625208259 0.37291383345091 0.75844326552458 107.868 > 65 67 Ag 0.39630625208259 0.12708616654909 0.74155673447542 107.868 > 67 68 Ag 0.89630625208259 0.12708616654909 0.74155673447542 107.868 > 67 69 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 69 70 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 69 71 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 71 72 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 71 73 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 73 74 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 73 75 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 75 76 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 75 77 Ag 0.21034248832569 0.73643797062033 0.53246037717811 107.868 > 77 78 Ag 0.71034248832569 0.73643797062033 0.53246037717811 107.868 > 77 79 Ag 0.14630625208259 0.12708616654909 0.25844326552458 107.868 > 79 80 Ag 0.64630625208259 0.12708616654909 0.25844326552458 107.868 > 79 81 Ba 0.12500000000000 0.50000000000000 0.87870730516052 137.327 > 81 82 Ba 0.62500000000000 0.50000000000000 0.87870730516052 137.327 > 81 83 Ba 0.12500000000000 0.00000000000000 0.62129269483948 137.327 > 83 84 Ba 0.62500000000000 0.00000000000000 0.62129269483948 137.327 > 83 85 Ba 0.37500000000000 0.50000000000000 0.12129269483948 137.327 > 85 86 Ba 0.87500000000000 0.50000000000000 0.12129269483948 137.327 > 85 87 Ba 0.37500000000000 0.00000000000000 0.37870730516052 137.327 > 87 88 Ba 0.87500000000000 0.00000000000000 0.37870730516052 137.327 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6807726 0.0000000 0.0000000 0.0000000 7.5536309 0.0000000 0.0000000 0.0000000 7.7442711 -------------------------- Born effective charges -------------------------- 1 O -1.7028451 -0.0043970 -0.1438546 -0.0502321 -2.0964568 -0.0470495 0.1421539 0.1872096 -1.9323380 2 O -1.7028451 0.0043970 0.1438546 0.0502321 -2.0964568 -0.0470495 -0.1421539 0.1872096 -1.9323380 3 O -1.7028451 -0.0043970 0.1438546 -0.0502321 -2.0964568 0.0470495 -0.1421539 -0.1872096 -1.9323380 4 O -1.7028451 0.0043970 -0.1438546 0.0502321 -2.0964568 0.0470495 0.1421539 -0.1872096 -1.9323380 5 O -1.7028451 -0.0043970 0.1438546 -0.0502321 -2.0964568 0.0470495 -0.1421539 -0.1872096 -1.9323380 6 O -1.7028451 0.0043970 -0.1438546 0.0502321 -2.0964568 0.0470495 0.1421539 -0.1872096 -1.9323380 7 O -2.1651307 -0.0806994 0.1024028 0.1285885 -2.2764490 -0.1156235 -0.3268651 -0.3037417 -2.1284068 8 O -2.1651307 0.0806994 -0.1024028 -0.1285885 -2.2764490 -0.1156235 0.3268651 -0.3037417 -2.1284068 9 O -2.1651307 -0.0806994 -0.1024028 0.1285885 -2.2764490 0.1156235 0.3268651 0.3037417 -2.1284068 10 O -2.1651307 0.0806994 0.1024028 -0.1285885 -2.2764490 0.1156235 -0.3268651 0.3037417 -2.1284068 11 O -2.1651307 -0.0806994 0.1024028 0.1285885 -2.2764490 -0.1156235 -0.3268651 -0.3037417 -2.1284068 12 O -2.1651307 0.0806994 -0.1024028 -0.1285885 -2.2764490 -0.1156235 0.3268651 -0.3037417 -2.1284068 13 O -2.1651307 -0.0806994 -0.1024028 0.1285885 -2.2764490 0.1156235 0.3268651 0.3037417 -2.1284068 14 O -2.1651307 0.0806994 0.1024028 -0.1285885 -2.2764490 0.1156235 -0.3268651 0.3037417 -2.1284068 15 O -1.7028451 -0.0043970 -0.1438546 -0.0502321 -2.0964568 -0.0470495 0.1421539 0.1872096 -1.9323380 16 O -1.7028451 0.0043970 0.1438546 0.0502321 -2.0964568 -0.0470495 -0.1421539 0.1872096 -1.9323380 17 Ag 1.3210736 0.1212735 0.5997090 0.1552260 0.3137666 0.2692638 0.7978390 0.1315325 0.9025904 18 Ag 0.1151778 -0.0886520 -0.2597902 0.1402279 1.2620210 0.7627544 -0.0896847 0.8194397 0.6299990 19 Ag 0.1151778 0.0886520 -0.2597902 -0.1402279 1.2620210 -0.7627544 -0.0896847 -0.8194397 0.6299990 20 Ag 0.1151778 0.0886520 0.2597902 -0.1402279 1.2620210 0.7627544 0.0896847 0.8194397 0.6299990 21 Ag 0.1151778 0.0886520 0.2597902 -0.1402279 1.2620210 0.7627544 0.0896847 0.8194397 0.6299990 22 Ag 0.1151778 -0.0886520 -0.2597902 0.1402279 1.2620210 0.7627544 -0.0896847 0.8194397 0.6299990 23 Ag 0.1151778 0.0886520 -0.2597902 -0.1402279 1.2620210 -0.7627544 -0.0896847 -0.8194397 0.6299990 24 Ag 0.1151778 -0.0886520 0.2597902 0.1402279 1.2620210 -0.7627544 0.0896847 -0.8194397 0.6299990 25 Ag 1.5340420 0.0000000 -0.0000000 0.0000000 1.0606951 0.1212042 0.0000000 0.0338012 1.1622332 26 Ag 1.5340420 0.0000000 -0.0000000 0.0000000 1.0606951 -0.1212042 0.0000000 -0.0338012 1.1622332 27 Ag 1.5340420 0.0000000 -0.0000000 0.0000000 1.0606951 0.1212042 0.0000000 0.0338012 1.1622332 28 Ag 1.5340420 0.0000000 -0.0000000 0.0000000 1.0606951 -0.1212042 0.0000000 -0.0338012 1.1622332 29 Ag 1.3210736 0.1212735 -0.5997090 0.1552260 0.3137666 -0.2692638 -0.7978390 -0.1315325 0.9025904 30 Ag 1.3210736 -0.1212735 0.5997090 -0.1552260 0.3137666 -0.2692638 0.7978390 -0.1315325 0.9025904 31 Ag 1.3210736 0.1212735 0.5997090 0.1552260 0.3137666 0.2692638 0.7978390 0.1315325 0.9025904 32 Ag 1.3210736 -0.1212735 -0.5997090 -0.1552260 0.3137666 0.2692638 -0.7978390 0.1315325 0.9025904 33 Ag 1.3210736 0.1212735 -0.5997090 0.1552260 0.3137666 -0.2692638 -0.7978390 -0.1315325 0.9025904 34 Ag 1.3210736 -0.1212735 0.5997090 -0.1552260 0.3137666 -0.2692638 0.7978390 -0.1315325 0.9025904 35 Ag 0.3898551 0.0092297 -0.1958400 -0.2203156 0.9598892 1.0388625 -0.3258044 0.6610866 0.7459960 36 Ag 0.3898551 -0.0092297 0.1958400 0.2203156 0.9598892 1.0388625 0.3258044 0.6610866 0.7459960 37 Ag 0.3898551 0.0092297 0.1958400 -0.2203156 0.9598892 -1.0388625 0.3258044 -0.6610866 0.7459960 38 Ag 0.3898551 -0.0092297 -0.1958400 0.2203156 0.9598892 -1.0388625 -0.3258044 -0.6610866 0.7459960 39 Ag 0.1151778 -0.0886520 0.2597902 0.1402279 1.2620210 -0.7627544 0.0896847 -0.8194397 0.6299990 40 Ag 1.3210736 -0.1212735 -0.5997090 -0.1552260 0.3137666 0.2692638 -0.7978390 0.1315325 0.9025904 41 Ba 2.9395516 0.2346460 -0.0000000 -0.1107804 3.5736523 -0.0000000 0.0000000 0.0000000 3.1480816 42 Ba 2.9395516 -0.2346460 -0.0000000 0.1107804 3.5736523 -0.0000000 0.0000000 0.0000000 3.1480816 43 Ba 2.9395516 0.2346460 -0.0000000 -0.1107804 3.5736523 -0.0000000 0.0000000 0.0000000 3.1480816 44 Ba 2.9395516 -0.2346460 -0.0000000 0.1107804 3.5736523 -0.0000000 0.0000000 0.0000000 3.1480816 ---------------------------------------------------------------------------- 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[ 13, 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[ 35, 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[ 69, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xzx) 0.00000001 (xzx) 0.00000001 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:13:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:13:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.536213979999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.714157560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.037197729999999 Atomic positions (fractional): 1 O 0.58148828865256 0.39450585484022 0.33658515072371 15.999 2 O 0.58148828865256 0.10549414515978 0.16341484927629 15.999 3 O 0.91851171134744 0.60549414515978 0.33658515072371 15.999 4 O 0.91851171134744 0.89450585484022 0.16341484927629 15.999 5 O 0.08148828865256 0.39450585484022 0.66341484927629 15.999 6 O 0.08148828865256 0.10549414515978 0.83658515072371 15.999 7 O 0.05328951937069 0.37102146425546 0.09155156456668 15.999 8 O 0.05328951937069 0.12897853574454 0.40844843543332 15.999 9 O 0.44671048062931 0.62897853574454 0.09155156456668 15.999 10 O 0.44671048062931 0.87102146425546 0.40844843543332 15.999 11 O 0.94671048062931 0.62897853574454 0.90844843543332 15.999 12 O 0.94671048062931 0.87102146425546 0.59155156456668 15.999 13 O 0.55328951937069 0.37102146425546 0.90844843543332 15.999 14 O 0.55328951937069 0.12897853574454 0.59155156456668 15.999 15 O 0.41851171134744 0.60549414515978 0.66341484927629 15.999 16 O 0.41851171134744 0.89450585484022 0.83658515072371 15.999 17 Ag 0.29261250416518 0.37291383345091 0.24155673447542 107.868 18 Ag 0.07931502334863 0.26356202937967 0.53246037717811 107.868 19 Ag 0.42068497665137 0.76356202937967 0.96753962282189 107.868 20 Ag 0.07931502334863 0.23643797062033 0.96753962282189 107.868 21 Ag 0.92068497665137 0.76356202937967 0.03246037717811 107.868 22 Ag 0.92068497665137 0.73643797062033 0.46753962282189 107.868 23 Ag 0.57931502334863 0.23643797062033 0.03246037717811 107.868 24 Ag 0.57931502334863 0.26356202937967 0.46753962282189 107.868 25 Ag 0.39691319116591 0.25000000000000 0.75000000000000 107.868 26 Ag 0.10308680883409 0.75000000000000 0.75000000000000 107.868 27 Ag 0.60308680883409 0.75000000000000 0.25000000000000 107.868 28 Ag 0.89691319116591 0.25000000000000 0.25000000000000 107.868 29 Ag 0.20738749583482 0.62708616654909 0.24155673447542 107.868 30 Ag 0.20738749583482 0.87291383345091 0.25844326552458 107.868 31 Ag 0.70738749583482 0.62708616654909 0.75844326552458 107.868 32 Ag 0.70738749583482 0.87291383345091 0.74155673447542 107.868 33 Ag 0.79261250416518 0.37291383345091 0.75844326552458 107.868 34 Ag 0.79261250416518 0.12708616654909 0.74155673447542 107.868 35 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 36 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 37 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 38 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 39 Ag 0.42068497665137 0.73643797062033 0.53246037717811 107.868 40 Ag 0.29261250416518 0.12708616654909 0.25844326552458 107.868 41 Ba 0.25000000000000 0.50000000000000 0.87870730516052 137.327 42 Ba 0.25000000000000 0.00000000000000 0.62129269483948 137.327 43 Ba 0.75000000000000 0.50000000000000 0.12129269483948 137.327 44 Ba 0.75000000000000 0.00000000000000 0.37870730516052 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.072427959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.714157560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.037197729999999 Atomic positions (fractional): 1 O 0.29074414432628 0.39450585484022 0.33658515072371 15.999 > 1 2 O 0.79074414432628 0.39450585484022 0.33658515072371 15.999 > 1 3 O 0.29074414432628 0.10549414515978 0.16341484927629 15.999 > 3 4 O 0.79074414432628 0.10549414515978 0.16341484927629 15.999 > 3 5 O 0.45925585567372 0.60549414515978 0.33658515072371 15.999 > 5 6 O 0.95925585567372 0.60549414515978 0.33658515072371 15.999 > 5 7 O 0.45925585567372 0.89450585484022 0.16341484927629 15.999 > 7 8 O 0.95925585567372 0.89450585484022 0.16341484927629 15.999 > 7 9 O 0.04074414432628 0.39450585484022 0.66341484927629 15.999 > 9 10 O 0.54074414432628 0.39450585484022 0.66341484927629 15.999 > 9 11 O 0.04074414432628 0.10549414515978 0.83658515072371 15.999 > 11 12 O 0.54074414432628 0.10549414515978 0.83658515072371 15.999 > 11 13 O 0.02664475968534 0.37102146425546 0.09155156456668 15.999 > 13 14 O 0.52664475968534 0.37102146425546 0.09155156456668 15.999 > 13 15 O 0.02664475968534 0.12897853574454 0.40844843543332 15.999 > 15 16 O 0.52664475968534 0.12897853574454 0.40844843543332 15.999 > 15 17 O 0.22335524031466 0.62897853574454 0.09155156456668 15.999 > 17 18 O 0.72335524031466 0.62897853574454 0.09155156456668 15.999 > 17 19 O 0.22335524031466 0.87102146425546 0.40844843543332 15.999 > 19 20 O 0.72335524031466 0.87102146425546 0.40844843543332 15.999 > 19 21 O 0.47335524031466 0.62897853574454 0.90844843543332 15.999 > 21 22 O 0.97335524031466 0.62897853574454 0.90844843543332 15.999 > 21 23 O 0.47335524031466 0.87102146425546 0.59155156456668 15.999 > 23 24 O 0.97335524031466 0.87102146425546 0.59155156456668 15.999 > 23 25 O 0.27664475968534 0.37102146425546 0.90844843543332 15.999 > 25 26 O 0.77664475968534 0.37102146425546 0.90844843543332 15.999 > 25 27 O 0.27664475968534 0.12897853574454 0.59155156456668 15.999 > 27 28 O 0.77664475968534 0.12897853574454 0.59155156456668 15.999 > 27 29 O 0.20925585567372 0.60549414515978 0.66341484927629 15.999 > 29 30 O 0.70925585567372 0.60549414515978 0.66341484927629 15.999 > 29 31 O 0.20925585567372 0.89450585484022 0.83658515072371 15.999 > 31 32 O 0.70925585567372 0.89450585484022 0.83658515072371 15.999 > 31 33 Ag 0.14630625208259 0.37291383345091 0.24155673447542 107.868 > 33 34 Ag 0.64630625208259 0.37291383345091 0.24155673447542 107.868 > 33 35 Ag 0.03965751167431 0.26356202937967 0.53246037717811 107.868 > 35 36 Ag 0.53965751167431 0.26356202937967 0.53246037717811 107.868 > 35 37 Ag 0.21034248832569 0.76356202937967 0.96753962282189 107.868 > 37 38 Ag 0.71034248832569 0.76356202937967 0.96753962282189 107.868 > 37 39 Ag 0.03965751167431 0.23643797062033 0.96753962282189 107.868 > 39 40 Ag 0.53965751167431 0.23643797062033 0.96753962282189 107.868 > 39 41 Ag 0.46034248832569 0.76356202937967 0.03246037717811 107.868 > 41 42 Ag 0.96034248832569 0.76356202937967 0.03246037717811 107.868 > 41 43 Ag 0.46034248832569 0.73643797062033 0.46753962282189 107.868 > 43 44 Ag 0.96034248832569 0.73643797062033 0.46753962282189 107.868 > 43 45 Ag 0.28965751167431 0.23643797062033 0.03246037717811 107.868 > 45 46 Ag 0.78965751167431 0.23643797062033 0.03246037717811 107.868 > 45 47 Ag 0.28965751167431 0.26356202937967 0.46753962282189 107.868 > 47 48 Ag 0.78965751167431 0.26356202937967 0.46753962282189 107.868 > 47 49 Ag 0.19845659558296 0.25000000000000 0.75000000000000 107.868 > 49 50 Ag 0.69845659558296 0.25000000000000 0.75000000000000 107.868 > 49 51 Ag 0.05154340441704 0.75000000000000 0.75000000000000 107.868 > 51 52 Ag 0.55154340441704 0.75000000000000 0.75000000000000 107.868 > 51 53 Ag 0.30154340441704 0.75000000000000 0.25000000000000 107.868 > 53 54 Ag 0.80154340441704 0.75000000000000 0.25000000000000 107.868 > 53 55 Ag 0.44845659558296 0.25000000000000 0.25000000000000 107.868 > 55 56 Ag 0.94845659558296 0.25000000000000 0.25000000000000 107.868 > 55 57 Ag 0.10369374791741 0.62708616654909 0.24155673447542 107.868 > 57 58 Ag 0.60369374791741 0.62708616654909 0.24155673447542 107.868 > 57 59 Ag 0.10369374791741 0.87291383345091 0.25844326552458 107.868 > 59 60 Ag 0.60369374791741 0.87291383345091 0.25844326552458 107.868 > 59 61 Ag 0.35369374791741 0.62708616654909 0.75844326552458 107.868 > 61 62 Ag 0.85369374791741 0.62708616654909 0.75844326552458 107.868 > 61 63 Ag 0.35369374791741 0.87291383345091 0.74155673447542 107.868 > 63 64 Ag 0.85369374791741 0.87291383345091 0.74155673447542 107.868 > 63 65 Ag 0.39630625208259 0.37291383345091 0.75844326552458 107.868 > 65 66 Ag 0.89630625208259 0.37291383345091 0.75844326552458 107.868 > 65 67 Ag 0.39630625208259 0.12708616654909 0.74155673447542 107.868 > 67 68 Ag 0.89630625208259 0.12708616654909 0.74155673447542 107.868 > 67 69 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 69 70 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 69 71 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 71 72 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 71 73 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 73 74 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 73 75 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 75 76 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 75 77 Ag 0.21034248832569 0.73643797062033 0.53246037717811 107.868 > 77 78 Ag 0.71034248832569 0.73643797062033 0.53246037717811 107.868 > 77 79 Ag 0.14630625208259 0.12708616654909 0.25844326552458 107.868 > 79 80 Ag 0.64630625208259 0.12708616654909 0.25844326552458 107.868 > 79 81 Ba 0.12500000000000 0.50000000000000 0.87870730516052 137.327 > 81 82 Ba 0.62500000000000 0.50000000000000 0.87870730516052 137.327 > 81 83 Ba 0.12500000000000 0.00000000000000 0.62129269483948 137.327 > 83 84 Ba 0.62500000000000 0.00000000000000 0.62129269483948 137.327 > 83 85 Ba 0.37500000000000 0.50000000000000 0.12129269483948 137.327 > 85 86 Ba 0.87500000000000 0.50000000000000 0.12129269483948 137.327 > 85 87 Ba 0.37500000000000 0.00000000000000 0.37870730516052 137.327 > 87 88 Ba 0.87500000000000 0.00000000000000 0.37870730516052 137.327 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.6807726 0.0000000 0.0000000 0.0000000 7.5536309 0.0000000 0.0000000 0.0000000 7.7442711 -------------------------- Born effective charges -------------------------- 1 O -1.7028451 -0.0043970 -0.1438546 -0.0502321 -2.0964568 -0.0470495 0.1421539 0.1872096 -1.9323380 2 O -1.7028451 0.0043970 0.1438546 0.0502321 -2.0964568 -0.0470495 -0.1421539 0.1872096 -1.9323380 3 O -1.7028451 -0.0043970 0.1438546 -0.0502321 -2.0964568 0.0470495 -0.1421539 -0.1872096 -1.9323380 4 O -1.7028451 0.0043970 -0.1438546 0.0502321 -2.0964568 0.0470495 0.1421539 -0.1872096 -1.9323380 5 O -1.7028451 -0.0043970 0.1438546 -0.0502321 -2.0964568 0.0470495 -0.1421539 -0.1872096 -1.9323380 6 O -1.7028451 0.0043970 -0.1438546 0.0502321 -2.0964568 0.0470495 0.1421539 -0.1872096 -1.9323380 7 O -2.1651307 -0.0806994 0.1024028 0.1285885 -2.2764490 -0.1156235 -0.3268651 -0.3037417 -2.1284068 8 O -2.1651307 0.0806994 -0.1024028 -0.1285885 -2.2764490 -0.1156235 0.3268651 -0.3037417 -2.1284068 9 O -2.1651307 -0.0806994 -0.1024028 0.1285885 -2.2764490 0.1156235 0.3268651 0.3037417 -2.1284068 10 O -2.1651307 0.0806994 0.1024028 -0.1285885 -2.2764490 0.1156235 -0.3268651 0.3037417 -2.1284068 11 O -2.1651307 -0.0806994 0.1024028 0.1285885 -2.2764490 -0.1156235 -0.3268651 -0.3037417 -2.1284068 12 O -2.1651307 0.0806994 -0.1024028 -0.1285885 -2.2764490 -0.1156235 0.3268651 -0.3037417 -2.1284068 13 O -2.1651307 -0.0806994 -0.1024028 0.1285885 -2.2764490 0.1156235 0.3268651 0.3037417 -2.1284068 14 O -2.1651307 0.0806994 0.1024028 -0.1285885 -2.2764490 0.1156235 -0.3268651 0.3037417 -2.1284068 15 O -1.7028451 -0.0043970 -0.1438546 -0.0502321 -2.0964568 -0.0470495 0.1421539 0.1872096 -1.9323380 16 O -1.7028451 0.0043970 0.1438546 0.0502321 -2.0964568 -0.0470495 -0.1421539 0.1872096 -1.9323380 17 Ag 1.3210736 0.1212735 0.5997090 0.1552260 0.3137666 0.2692638 0.7978390 0.1315325 0.9025904 18 Ag 0.1151778 -0.0886520 -0.2597902 0.1402279 1.2620210 0.7627544 -0.0896847 0.8194397 0.6299990 19 Ag 0.1151778 0.0886520 -0.2597902 -0.1402279 1.2620210 -0.7627544 -0.0896847 -0.8194397 0.6299990 20 Ag 0.1151778 0.0886520 0.2597902 -0.1402279 1.2620210 0.7627544 0.0896847 0.8194397 0.6299990 21 Ag 0.1151778 0.0886520 0.2597902 -0.1402279 1.2620210 0.7627544 0.0896847 0.8194397 0.6299990 22 Ag 0.1151778 -0.0886520 -0.2597902 0.1402279 1.2620210 0.7627544 -0.0896847 0.8194397 0.6299990 23 Ag 0.1151778 0.0886520 -0.2597902 -0.1402279 1.2620210 -0.7627544 -0.0896847 -0.8194397 0.6299990 24 Ag 0.1151778 -0.0886520 0.2597902 0.1402279 1.2620210 -0.7627544 0.0896847 -0.8194397 0.6299990 25 Ag 1.5340420 0.0000000 -0.0000000 0.0000000 1.0606951 0.1212042 0.0000000 0.0338012 1.1622332 26 Ag 1.5340420 0.0000000 -0.0000000 0.0000000 1.0606951 -0.1212042 0.0000000 -0.0338012 1.1622332 27 Ag 1.5340420 0.0000000 -0.0000000 0.0000000 1.0606951 0.1212042 0.0000000 0.0338012 1.1622332 28 Ag 1.5340420 0.0000000 -0.0000000 0.0000000 1.0606951 -0.1212042 0.0000000 -0.0338012 1.1622332 29 Ag 1.3210736 0.1212735 -0.5997090 0.1552260 0.3137666 -0.2692638 -0.7978390 -0.1315325 0.9025904 30 Ag 1.3210736 -0.1212735 0.5997090 -0.1552260 0.3137666 -0.2692638 0.7978390 -0.1315325 0.9025904 31 Ag 1.3210736 0.1212735 0.5997090 0.1552260 0.3137666 0.2692638 0.7978390 0.1315325 0.9025904 32 Ag 1.3210736 -0.1212735 -0.5997090 -0.1552260 0.3137666 0.2692638 -0.7978390 0.1315325 0.9025904 33 Ag 1.3210736 0.1212735 -0.5997090 0.1552260 0.3137666 -0.2692638 -0.7978390 -0.1315325 0.9025904 34 Ag 1.3210736 -0.1212735 0.5997090 -0.1552260 0.3137666 -0.2692638 0.7978390 -0.1315325 0.9025904 35 Ag 0.3898551 0.0092297 -0.1958400 -0.2203156 0.9598892 1.0388625 -0.3258044 0.6610866 0.7459960 36 Ag 0.3898551 -0.0092297 0.1958400 0.2203156 0.9598892 1.0388625 0.3258044 0.6610866 0.7459960 37 Ag 0.3898551 0.0092297 0.1958400 -0.2203156 0.9598892 -1.0388625 0.3258044 -0.6610866 0.7459960 38 Ag 0.3898551 -0.0092297 -0.1958400 0.2203156 0.9598892 -1.0388625 -0.3258044 -0.6610866 0.7459960 39 Ag 0.1151778 -0.0886520 0.2597902 0.1402279 1.2620210 -0.7627544 0.0896847 -0.8194397 0.6299990 40 Ag 1.3210736 -0.1212735 -0.5997090 -0.1552260 0.3137666 0.2692638 -0.7978390 0.1315325 0.9025904 41 Ba 2.9395516 0.2346460 -0.0000000 -0.1107804 3.5736523 -0.0000000 0.0000000 0.0000000 3.1480816 42 Ba 2.9395516 -0.2346460 -0.0000000 0.1107804 3.5736523 -0.0000000 0.0000000 0.0000000 3.1480816 43 Ba 2.9395516 0.2346460 -0.0000000 -0.1107804 3.5736523 -0.0000000 0.0000000 0.0000000 3.1480816 44 Ba 2.9395516 -0.2346460 -0.0000000 0.1107804 3.5736523 -0.0000000 0.0000000 0.0000000 3.1480816 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xzx) 0.00000001 (xzx) 0.00000001 (xxz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 4 6 ] 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: 0.46, Number of G-points: 291, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 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 0.587 ( 0.000 0.000 0.000) 0.000 0.820 ( 0.000 0.000 0.000) 0.000 0.873 ( 0.000 0.000 0.000) 0.000 0.891 ( 0.000 0.000 0.000) 0.000 0.903 ( 0.000 0.000 0.000) 0.000 1.047 ( 0.000 0.000 0.000) 0.000 1.175 ( 0.000 0.000 0.000) 0.000 1.192 ( 0.000 0.000 0.000) 0.000 1.274 ( 0.000 0.000 0.000) 0.000 1.282 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.410 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.473 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.829 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.188 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.503 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 7.062 ( 0.000 0.000 0.000) 0.000 7.221 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.533 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 10.252 ( 0.000 0.000 0.000) 0.000 10.639 ( 0.000 0.000 0.000) 0.000 10.836 ( 0.000 0.000 0.000) 0.000 10.863 ( 0.000 0.000 0.000) 0.000 11.020 ( 0.000 0.000 0.000) 0.000 11.254 ( 0.000 0.000 0.000) 0.000 11.519 ( 0.000 0.000 0.000) 0.000 11.886 ( 0.000 0.000 0.000) 0.000 11.988 ( 0.000 0.000 0.000) 0.000 12.130 ( 0.000 0.000 0.000) 0.000 12.317 ( 0.000 0.000 0.000) 0.000 12.561 ( 0.000 0.000 0.000) 0.000 12.818 ( 0.000 0.000 0.000) 0.000 12.833 ( 0.000 0.000 0.000) 0.000 13.019 ( 0.000 0.000 0.000) 0.000 13.118 ( 0.000 0.000 0.000) 0.000 13.132 ( 0.000 0.000 0.000) 0.000 13.484 ( 0.000 0.000 0.000) 0.000 13.542 ( 0.000 0.000 0.000) 0.000 13.704 ( 0.000 0.000 0.000) 0.000 13.734 ( 0.000 0.000 0.000) 0.000 13.849 ( 0.000 0.000 0.000) 0.000 13.895 ( 0.000 0.000 0.000) 0.000 13.984 ( 0.000 0.000 0.000) 0.000 14.040 ( 0.000 0.000 0.000) 0.000 14.171 ( 0.000 0.000 0.000) 0.000 14.180 ( 0.000 0.000 0.000) 0.000 14.242 ( 0.000 0.000 0.000) 0.000 14.271 ( 0.000 0.000 0.000) 0.000 14.287 ( 0.000 0.000 0.000) 0.000 14.334 ( 0.000 0.000 0.000) 0.000 14.629 ( 0.000 0.000 0.000) 0.000 15.126 ( 0.000 0.000 0.000) 0.000 15.160 ( 0.000 0.000 0.000) 0.000 15.344 ( 0.000 0.000 0.000) 0.000 15.386 ( 0.000 0.000 0.000) 0.000 15.412 ( 0.000 0.000 0.000) 0.000 15.466 ( 0.000 0.000 0.000) 0.000 16.011 ( 0.000 0.000 0.000) 0.000 16.278 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.236 ( 12.159 0.000 0.000) 12.159 0.248 ( 12.683 0.000 0.000) 12.683 0.584 ( 27.476 0.000 0.000) 27.476 0.670 ( 7.963 0.000 0.000) 7.963 0.849 ( 2.599 0.000 0.000) 2.599 0.889 ( -1.164 0.000 0.000) 1.164 0.895 ( 2.366 0.000 0.000) 2.366 1.022 ( 1.740 0.000 0.000) 1.740 1.029 ( -1.777 0.000 0.000) 1.777 1.160 ( -2.215 0.000 0.000) 2.215 1.191 ( 1.734 0.000 0.000) 1.734 1.232 ( -1.013 0.000 0.000) 1.013 1.353 ( -1.638 0.000 0.000) 1.638 1.360 ( 1.155 0.000 0.000) 1.155 1.370 ( 4.488 0.000 0.000) 4.488 1.398 ( -1.862 0.000 0.000) 1.862 1.438 ( 1.346 0.000 0.000) 1.346 1.455 ( -2.167 0.000 0.000) 2.167 1.494 ( 3.542 0.000 0.000) 3.542 1.506 ( -4.480 0.000 0.000) 4.480 1.530 ( 3.107 0.000 0.000) 3.107 1.594 ( 0.185 0.000 0.000) 0.185 1.626 ( 3.373 0.000 0.000) 3.373 1.649 ( 0.213 0.000 0.000) 0.213 1.680 ( -4.792 0.000 0.000) 4.792 1.757 ( -0.210 0.000 0.000) 0.210 1.802 ( 0.069 0.000 0.000) 0.069 1.807 ( -2.345 0.000 0.000) 2.345 1.840 ( -2.838 0.000 0.000) 2.838 1.849 ( 1.938 0.000 0.000) 1.938 1.889 ( -2.850 0.000 0.000) 2.850 1.920 ( -1.156 0.000 0.000) 1.156 1.932 ( 0.832 0.000 0.000) 0.832 1.971 ( 1.633 0.000 0.000) 1.633 1.985 ( -0.862 0.000 0.000) 0.862 2.013 ( -1.905 0.000 0.000) 1.905 2.020 ( 2.094 0.000 0.000) 2.094 2.070 ( 0.001 0.000 0.000) 0.001 2.080 ( -0.065 0.000 0.000) 0.065 2.090 ( 5.033 0.000 0.000) 5.033 2.091 ( 0.359 0.000 0.000) 0.359 2.132 ( -0.328 0.000 0.000) 0.328 2.146 ( -5.434 0.000 0.000) 5.434 2.168 ( -1.098 0.000 0.000) 1.098 2.183 ( -0.183 0.000 0.000) 0.183 2.246 ( -1.049 0.000 0.000) 1.049 2.328 ( -0.334 0.000 0.000) 0.334 2.361 ( 2.667 0.000 0.000) 2.667 2.366 ( -1.373 0.000 0.000) 1.373 2.378 ( 0.661 0.000 0.000) 0.661 2.509 ( -1.009 0.000 0.000) 1.009 2.592 ( -2.271 0.000 0.000) 2.271 2.603 ( -3.308 0.000 0.000) 3.308 2.620 ( -2.360 0.000 0.000) 2.360 2.661 ( -3.063 0.000 0.000) 3.063 2.688 ( -3.056 0.000 0.000) 3.056 2.695 ( 0.719 0.000 0.000) 0.719 2.815 ( -0.241 0.000 0.000) 0.241 2.816 ( -3.430 0.000 0.000) 3.430 2.824 ( 2.959 0.000 0.000) 2.959 2.879 ( -1.608 0.000 0.000) 1.608 2.991 ( -7.871 0.000 0.000) 7.871 3.064 ( 0.369 0.000 0.000) 0.369 3.133 ( 4.417 0.000 0.000) 4.417 3.200 ( 1.934 0.000 0.000) 1.934 3.359 ( 10.611 0.000 0.000) 10.611 3.414 ( -2.920 0.000 0.000) 2.920 3.436 ( -1.017 0.000 0.000) 1.017 3.486 ( -2.787 0.000 0.000) 2.787 3.537 ( 0.145 0.000 0.000) 0.145 3.653 ( 4.533 0.000 0.000) 4.533 3.653 ( -1.382 0.000 0.000) 1.382 3.662 ( -0.478 0.000 0.000) 0.478 3.932 ( 1.989 0.000 0.000) 1.989 4.072 ( -1.827 0.000 0.000) 1.827 4.173 ( 2.566 0.000 0.000) 2.566 4.192 ( -2.566 0.000 0.000) 2.566 4.211 ( -1.802 0.000 0.000) 1.802 4.367 ( 5.009 0.000 0.000) 5.009 4.481 ( -0.087 0.000 0.000) 0.087 4.506 ( -1.249 0.000 0.000) 1.249 4.507 ( -2.996 0.000 0.000) 2.996 4.631 ( -1.583 0.000 0.000) 1.583 4.896 ( -1.251 0.000 0.000) 1.251 7.093 ( 2.999 0.000 0.000) 2.999 7.236 ( -0.413 0.000 0.000) 0.413 7.301 ( 1.448 0.000 0.000) 1.448 7.415 ( -1.715 0.000 0.000) 1.715 7.446 ( 0.473 0.000 0.000) 0.473 7.551 ( 1.684 0.000 0.000) 1.684 7.562 ( 2.258 0.000 0.000) 2.258 7.812 ( -2.559 0.000 0.000) 2.559 10.260 ( 0.953 0.000 0.000) 0.953 10.642 ( 0.297 0.000 0.000) 0.297 10.781 ( -4.016 0.000 0.000) 4.016 10.785 ( -6.845 0.000 0.000) 6.845 11.128 ( 7.276 0.000 0.000) 7.276 11.288 ( 2.035 0.000 0.000) 2.035 11.460 ( -5.626 0.000 0.000) 5.626 11.909 ( 2.229 0.000 0.000) 2.229 11.920 ( -5.884 0.000 0.000) 5.884 12.155 ( 1.935 0.000 0.000) 1.935 12.316 ( -0.065 0.000 0.000) 0.065 12.472 ( -5.853 0.000 0.000) 5.853 12.865 ( 0.297 0.000 0.000) 0.297 12.881 ( 5.750 0.000 0.000) 5.750 13.036 ( 1.559 0.000 0.000) 1.559 13.144 ( 1.449 0.000 0.000) 1.449 13.202 ( 8.409 0.000 0.000) 8.409 13.511 ( -2.840 0.000 0.000) 2.840 13.576 ( -5.677 0.000 0.000) 5.677 13.730 ( 2.730 0.000 0.000) 2.730 13.845 ( -0.354 0.000 0.000) 0.354 13.904 ( 1.120 0.000 0.000) 1.120 13.933 ( -7.479 0.000 0.000) 7.479 14.011 ( 2.253 0.000 0.000) 2.253 14.171 ( 0.065 0.000 0.000) 0.065 14.177 ( -0.258 0.000 0.000) 0.258 14.206 ( -2.977 0.000 0.000) 2.977 14.214 ( -3.518 0.000 0.000) 3.518 14.275 ( -0.139 0.000 0.000) 0.139 14.316 ( -1.704 0.000 0.000) 1.704 14.346 ( 3.177 0.000 0.000) 3.177 14.701 ( -3.774 0.000 0.000) 3.774 15.152 ( 2.714 0.000 0.000) 2.714 15.173 ( 1.324 0.000 0.000) 1.324 15.341 ( -0.310 0.000 0.000) 0.310 15.417 ( 0.472 0.000 0.000) 0.472 15.419 ( 2.060 0.000 0.000) 2.060 15.472 ( 0.654 0.000 0.000) 0.654 15.990 ( -2.240 0.000 0.000) 2.240 16.225 ( -5.406 0.000 0.000) 5.406 ======================= Grid point 2 (3/60) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.464 ( 11.578 0.000 0.000) 11.578 0.479 ( 11.343 0.000 0.000) 11.343 0.849 ( 8.942 0.000 0.000) 8.942 0.876 ( 0.221 0.000 0.000) 0.221 0.891 ( 1.390 0.000 0.000) 1.390 0.913 ( 5.622 0.000 0.000) 5.622 0.969 ( 5.179 0.000 0.000) 5.179 0.996 ( -0.453 0.000 0.000) 0.453 1.044 ( -1.067 0.000 0.000) 1.067 1.198 ( 4.184 0.000 0.000) 4.184 1.241 ( 3.104 0.000 0.000) 3.104 1.320 ( -5.987 0.000 0.000) 5.987 1.327 ( -4.855 0.000 0.000) 4.855 1.330 ( -0.345 0.000 0.000) 0.345 1.331 ( 15.861 0.000 0.000) 15.861 1.424 ( -1.359 0.000 0.000) 1.359 1.435 ( -0.779 0.000 0.000) 0.779 1.453 ( 3.973 0.000 0.000) 3.973 1.512 ( 4.197 0.000 0.000) 4.197 1.557 ( 2.457 0.000 0.000) 2.457 1.580 ( 1.893 0.000 0.000) 1.893 1.604 ( -2.614 0.000 0.000) 2.614 1.610 ( 1.572 0.000 0.000) 1.572 1.662 ( 1.176 0.000 0.000) 1.176 1.664 ( -0.017 0.000 0.000) 0.017 1.742 ( -3.579 0.000 0.000) 3.579 1.749 ( -0.379 0.000 0.000) 0.379 1.779 ( -3.165 0.000 0.000) 3.165 1.791 ( -4.645 0.000 0.000) 4.645 1.839 ( -2.943 0.000 0.000) 2.943 1.843 ( 1.440 0.000 0.000) 1.440 1.878 ( -7.675 0.000 0.000) 7.675 1.918 ( -0.979 0.000 0.000) 0.979 1.945 ( 0.057 0.000 0.000) 0.057 1.978 ( -0.229 0.000 0.000) 0.229 1.993 ( -1.007 0.000 0.000) 1.007 2.050 ( -3.096 0.000 0.000) 3.096 2.063 ( -1.221 0.000 0.000) 1.221 2.078 ( 0.376 0.000 0.000) 0.376 2.093 ( 0.095 0.000 0.000) 0.095 2.104 ( 5.681 0.000 0.000) 5.681 2.128 ( -2.820 0.000 0.000) 2.820 2.157 ( 1.770 0.000 0.000) 1.770 2.195 ( 1.594 0.000 0.000) 1.594 2.198 ( 4.780 0.000 0.000) 4.780 2.228 ( -0.604 0.000 0.000) 0.604 2.322 ( 0.009 0.000 0.000) 0.009 2.351 ( 0.381 0.000 0.000) 0.381 2.371 ( -1.998 0.000 0.000) 1.998 2.396 ( 1.215 0.000 0.000) 1.215 2.483 ( -1.468 0.000 0.000) 1.468 2.525 ( -3.946 0.000 0.000) 3.946 2.536 ( -3.370 0.000 0.000) 3.370 2.565 ( -3.247 0.000 0.000) 3.247 2.584 ( -4.561 0.000 0.000) 4.561 2.638 ( -2.452 0.000 0.000) 2.452 2.718 ( 1.049 0.000 0.000) 1.049 2.751 ( -3.123 0.000 0.000) 3.123 2.826 ( 2.275 0.000 0.000) 2.275 2.833 ( -3.845 0.000 0.000) 3.845 2.842 ( -2.037 0.000 0.000) 2.037 2.899 ( 0.407 0.000 0.000) 0.407 3.073 ( 0.605 0.000 0.000) 0.605 3.193 ( -3.708 0.000 0.000) 3.708 3.228 ( 5.196 0.000 0.000) 5.196 3.417 ( -4.303 0.000 0.000) 4.303 3.423 ( 4.866 0.000 0.000) 4.866 3.435 ( 0.889 0.000 0.000) 0.889 3.529 ( -0.936 0.000 0.000) 0.936 3.559 ( 9.933 0.000 0.000) 9.933 3.604 ( -5.890 0.000 0.000) 5.890 3.615 ( -2.511 0.000 0.000) 2.511 3.744 ( 4.770 0.000 0.000) 4.770 3.986 ( 3.467 0.000 0.000) 3.467 4.018 ( -3.872 0.000 0.000) 3.872 4.164 ( -2.961 0.000 0.000) 2.961 4.175 ( 0.850 0.000 0.000) 0.850 4.220 ( 1.805 0.000 0.000) 1.805 4.435 ( -4.186 0.000 0.000) 4.186 4.464 ( -3.225 0.000 0.000) 3.225 4.469 ( 5.541 0.000 0.000) 5.541 4.483 ( 0.443 0.000 0.000) 0.443 4.594 ( -1.968 0.000 0.000) 1.968 4.856 ( -2.967 0.000 0.000) 2.967 7.166 ( 4.389 0.000 0.000) 4.389 7.234 ( 0.323 0.000 0.000) 0.323 7.331 ( 1.348 0.000 0.000) 1.348 7.378 ( -2.097 0.000 0.000) 2.097 7.464 ( 1.433 0.000 0.000) 1.433 7.588 ( 1.958 0.000 0.000) 1.958 7.606 ( 2.043 0.000 0.000) 2.043 7.744 ( -4.376 0.000 0.000) 4.376 10.290 ( 2.156 0.000 0.000) 2.156 10.643 ( -7.371 0.000 0.000) 7.371 10.648 ( 0.386 0.000 0.000) 0.386 10.715 ( -2.709 0.000 0.000) 2.709 11.279 ( 8.111 0.000 0.000) 8.111 11.291 ( -1.860 0.000 0.000) 1.860 11.334 ( -6.771 0.000 0.000) 6.771 11.796 ( -6.603 0.000 0.000) 6.603 11.968 ( 4.019 0.000 0.000) 4.019 12.196 ( 2.433 0.000 0.000) 2.433 12.315 ( 0.043 0.000 0.000) 0.043 12.390 ( -3.236 0.000 0.000) 3.236 12.850 ( -0.350 0.000 0.000) 0.350 12.987 ( 3.958 0.000 0.000) 3.958 13.066 ( 1.162 0.000 0.000) 1.162 13.206 ( 5.693 0.000 0.000) 5.693 13.372 ( 7.426 0.000 0.000) 7.426 13.406 ( -11.079 0.000 0.000) 11.079 13.450 ( -3.052 0.000 0.000) 3.052 13.807 ( 5.265 0.000 0.000) 5.265 13.817 ( -5.083 0.000 0.000) 5.083 13.842 ( 0.251 0.000 0.000) 0.251 13.943 ( 2.950 0.000 0.000) 2.950 14.038 ( -0.263 0.000 0.000) 0.263 14.131 ( -4.559 0.000 0.000) 4.559 14.152 ( -2.083 0.000 0.000) 2.083 14.177 ( 0.452 0.000 0.000) 0.452 14.177 ( 0.845 0.000 0.000) 0.845 14.264 ( -0.917 0.000 0.000) 0.917 14.278 ( -1.981 0.000 0.000) 1.981 14.356 ( -2.409 0.000 0.000) 2.409 14.601 ( -6.407 0.000 0.000) 6.407 15.207 ( 2.027 0.000 0.000) 2.027 15.228 ( 5.089 0.000 0.000) 5.089 15.331 ( -0.724 0.000 0.000) 0.724 15.426 ( 0.316 0.000 0.000) 0.316 15.482 ( 4.523 0.000 0.000) 4.523 15.494 ( 1.810 0.000 0.000) 1.810 15.927 ( -4.243 0.000 0.000) 4.243 16.082 ( -9.151 0.000 0.000) 9.151 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.673 ( 9.941 0.000 0.000) 9.941 0.673 ( 8.720 0.000 0.000) 8.720 0.895 ( -2.474 0.000 0.000) 2.474 0.897 ( -1.043 0.000 0.000) 1.043 0.901 ( 2.116 0.000 0.000) 2.116 0.948 ( 0.155 0.000 0.000) 0.155 1.033 ( 0.427 0.000 0.000) 0.427 1.075 ( 5.493 0.000 0.000) 5.493 1.100 ( 8.588 0.000 0.000) 8.588 1.182 ( -7.231 0.000 0.000) 7.231 1.238 ( -3.917 0.000 0.000) 3.917 1.261 ( -1.398 0.000 0.000) 1.398 1.285 ( 5.749 0.000 0.000) 5.749 1.380 ( 5.519 0.000 0.000) 5.519 1.414 ( -0.732 0.000 0.000) 0.732 1.425 ( 0.837 0.000 0.000) 0.837 1.503 ( 0.699 0.000 0.000) 0.699 1.561 ( -0.637 0.000 0.000) 0.637 1.579 ( -0.788 0.000 0.000) 0.788 1.579 ( 3.069 0.000 0.000) 3.069 1.597 ( 2.206 0.000 0.000) 2.206 1.608 ( -2.541 0.000 0.000) 2.541 1.624 ( -3.600 0.000 0.000) 3.600 1.638 ( -7.060 0.000 0.000) 7.060 1.649 ( 5.660 0.000 0.000) 5.660 1.656 ( -4.110 0.000 0.000) 4.110 1.726 ( -2.776 0.000 0.000) 2.776 1.755 ( 2.645 0.000 0.000) 2.645 1.760 ( -4.888 0.000 0.000) 4.888 1.766 ( 1.270 0.000 0.000) 1.270 1.789 ( 6.798 0.000 0.000) 6.798 1.906 ( 4.303 0.000 0.000) 4.303 1.920 ( -5.420 0.000 0.000) 5.420 1.921 ( 0.764 0.000 0.000) 0.764 1.933 ( 0.013 0.000 0.000) 0.013 1.977 ( 0.338 0.000 0.000) 0.338 2.019 ( -1.236 0.000 0.000) 1.236 2.026 ( -2.537 0.000 0.000) 2.537 2.070 ( -3.230 0.000 0.000) 3.230 2.093 ( 1.125 0.000 0.000) 1.125 2.098 ( -0.174 0.000 0.000) 0.174 2.185 ( 1.024 0.000 0.000) 1.024 2.193 ( 1.700 0.000 0.000) 1.700 2.237 ( 2.363 0.000 0.000) 2.363 2.247 ( 4.265 0.000 0.000) 4.265 2.249 ( -1.676 0.000 0.000) 1.676 2.293 ( -3.655 0.000 0.000) 3.655 2.341 ( 2.198 0.000 0.000) 2.198 2.384 ( 2.699 0.000 0.000) 2.699 2.423 ( 1.425 0.000 0.000) 1.425 2.461 ( -4.660 0.000 0.000) 4.660 2.466 ( -0.085 0.000 0.000) 0.085 2.466 ( -2.782 0.000 0.000) 2.782 2.508 ( -2.324 0.000 0.000) 2.324 2.511 ( -2.382 0.000 0.000) 2.382 2.579 ( -3.947 0.000 0.000) 3.947 2.704 ( -1.545 0.000 0.000) 1.545 2.717 ( -0.932 0.000 0.000) 0.932 2.771 ( -1.486 0.000 0.000) 1.486 2.805 ( -1.868 0.000 0.000) 1.868 2.924 ( 7.565 0.000 0.000) 7.565 2.933 ( 2.383 0.000 0.000) 2.383 3.090 ( 1.010 0.000 0.000) 1.010 3.092 ( -5.829 0.000 0.000) 5.829 3.320 ( 3.708 0.000 0.000) 3.708 3.330 ( -4.291 0.000 0.000) 4.291 3.441 ( -5.136 0.000 0.000) 5.136 3.479 ( -0.920 0.000 0.000) 0.920 3.497 ( -2.535 0.000 0.000) 2.535 3.563 ( -2.759 0.000 0.000) 2.759 3.564 ( 8.845 0.000 0.000) 8.845 3.722 ( 6.434 0.000 0.000) 6.434 3.826 ( 3.474 0.000 0.000) 3.474 3.924 ( -5.625 0.000 0.000) 5.625 4.047 ( 2.271 0.000 0.000) 2.271 4.106 ( -2.783 0.000 0.000) 2.783 4.215 ( 2.999 0.000 0.000) 2.999 4.243 ( 1.298 0.000 0.000) 1.298 4.355 ( -4.080 0.000 0.000) 4.080 4.385 ( -4.775 0.000 0.000) 4.775 4.501 ( 1.362 0.000 0.000) 1.362 4.560 ( -1.642 0.000 0.000) 1.642 4.577 ( 5.756 0.000 0.000) 5.756 4.783 ( -4.550 0.000 0.000) 4.550 7.249 ( 4.047 0.000 0.000) 4.047 7.252 ( 1.535 0.000 0.000) 1.535 7.335 ( -2.376 0.000 0.000) 2.376 7.342 ( -0.353 0.000 0.000) 0.353 7.504 ( 2.749 0.000 0.000) 2.749 7.620 ( 1.347 0.000 0.000) 1.347 7.634 ( 0.825 0.000 0.000) 0.825 7.654 ( -4.809 0.000 0.000) 4.809 10.343 ( 3.357 0.000 0.000) 3.357 10.515 ( -5.885 0.000 0.000) 5.885 10.655 ( 0.334 0.000 0.000) 0.334 10.678 ( -1.257 0.000 0.000) 1.257 11.227 ( -3.884 0.000 0.000) 3.884 11.235 ( -3.209 0.000 0.000) 3.209 11.428 ( 7.275 0.000 0.000) 7.275 11.674 ( -6.151 0.000 0.000) 6.151 12.063 ( 5.803 0.000 0.000) 5.803 12.247 ( 2.805 0.000 0.000) 2.805 12.310 ( -5.584 0.000 0.000) 5.584 12.314 ( -0.353 0.000 0.000) 0.353 12.890 ( 4.494 0.000 0.000) 4.494 13.027 ( 1.234 0.000 0.000) 1.234 13.063 ( -1.860 0.000 0.000) 1.860 13.201 ( -9.292 0.000 0.000) 9.292 13.358 ( 9.339 0.000 0.000) 9.339 13.412 ( -0.582 0.000 0.000) 0.582 13.448 ( 0.635 0.000 0.000) 0.635 13.704 ( -7.301 0.000 0.000) 7.301 13.865 ( 2.274 0.000 0.000) 2.274 13.925 ( 6.607 0.000 0.000) 6.607 13.996 ( -3.578 0.000 0.000) 3.578 14.010 ( 3.897 0.000 0.000) 3.897 14.060 ( -2.611 0.000 0.000) 2.611 14.144 ( 1.412 0.000 0.000) 1.412 14.194 ( 1.139 0.000 0.000) 1.139 14.217 ( 3.702 0.000 0.000) 3.702 14.241 ( -2.049 0.000 0.000) 2.049 14.243 ( -1.221 0.000 0.000) 1.221 14.261 ( -6.985 0.000 0.000) 6.985 14.466 ( -7.533 0.000 0.000) 7.533 15.247 ( 2.080 0.000 0.000) 2.080 15.312 ( -1.239 0.000 0.000) 1.239 15.332 ( 5.029 0.000 0.000) 5.029 15.425 ( -0.521 0.000 0.000) 0.521 15.553 ( 4.956 0.000 0.000) 4.956 15.587 ( 6.221 0.000 0.000) 6.221 15.831 ( -5.772 0.000 0.000) 5.772 15.889 ( -10.610 0.000 0.000) 10.610 ======================= Grid point 4 (5/60) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.799 ( -2.088 0.000 0.000) 2.088 0.799 ( 2.088 0.000 0.000) 2.088 0.846 ( -2.308 0.000 0.000) 2.308 0.846 ( 2.308 0.000 0.000) 2.308 0.939 ( -1.346 0.000 0.000) 1.346 0.939 ( 1.346 0.000 0.000) 1.346 1.070 ( -3.959 0.000 0.000) 3.959 1.070 ( 3.959 0.000 0.000) 3.959 1.165 ( -3.389 0.000 0.000) 3.389 1.165 ( 3.389 0.000 0.000) 3.389 1.219 ( -2.636 0.000 0.000) 2.636 1.219 ( 2.636 0.000 0.000) 2.636 1.408 ( -5.394 0.000 0.000) 5.394 1.408 ( 5.394 0.000 0.000) 5.394 1.465 ( -5.849 0.000 0.000) 5.849 1.465 ( 5.849 0.000 0.000) 5.849 1.495 ( -0.745 0.000 0.000) 0.745 1.495 ( 0.745 0.000 0.000) 0.745 1.505 ( -5.296 0.000 0.000) 5.296 1.505 ( 5.296 0.000 0.000) 5.296 1.596 ( -0.299 0.000 0.000) 0.299 1.596 ( 0.299 0.000 0.000) 0.299 1.611 ( -1.199 0.000 0.000) 1.199 1.611 ( 1.199 0.000 0.000) 1.199 1.666 ( -4.473 0.000 0.000) 4.473 1.666 ( 4.473 0.000 0.000) 4.473 1.692 ( -1.217 0.000 0.000) 1.217 1.692 ( 1.217 0.000 0.000) 1.217 1.825 ( -4.300 0.000 0.000) 4.300 1.825 ( 4.300 0.000 0.000) 4.300 1.827 ( -2.737 0.000 0.000) 2.737 1.827 ( 2.737 0.000 0.000) 2.737 1.953 ( -2.387 0.000 0.000) 2.387 1.953 ( 2.387 0.000 0.000) 2.387 1.985 ( -2.720 0.000 0.000) 2.720 1.985 ( 2.720 0.000 0.000) 2.720 2.002 ( -3.116 0.000 0.000) 3.116 2.002 ( 3.116 0.000 0.000) 3.116 2.059 ( -5.784 0.000 0.000) 5.784 2.059 ( 5.784 0.000 0.000) 5.784 2.134 ( -4.829 0.000 0.000) 4.829 2.134 ( 4.829 0.000 0.000) 4.829 2.198 ( -0.352 0.000 0.000) 0.352 2.198 ( 0.352 0.000 0.000) 0.352 2.272 ( -1.182 0.000 0.000) 1.182 2.272 ( 1.182 0.000 0.000) 1.182 2.353 ( -5.623 0.000 0.000) 5.623 2.353 ( 5.623 0.000 0.000) 5.623 2.402 ( -3.701 0.000 0.000) 3.701 2.402 ( 3.701 0.000 0.000) 3.701 2.437 ( -0.652 0.000 0.000) 0.652 2.437 ( 0.652 0.000 0.000) 0.652 2.478 ( -1.148 0.000 0.000) 1.148 2.478 ( 1.148 0.000 0.000) 1.148 2.505 ( -2.476 0.000 0.000) 2.476 2.505 ( 2.476 0.000 0.000) 2.476 2.697 ( -0.695 0.000 0.000) 0.695 2.697 ( 0.695 0.000 0.000) 0.695 2.773 ( -1.244 0.000 0.000) 1.244 2.773 ( 1.244 0.000 0.000) 1.244 2.994 ( -4.184 0.000 0.000) 4.184 2.994 ( 4.184 0.000 0.000) 4.184 3.068 ( -5.210 0.000 0.000) 5.210 3.068 ( 5.210 0.000 0.000) 5.210 3.289 ( -1.714 0.000 0.000) 1.714 3.289 ( 1.714 0.000 0.000) 1.714 3.434 ( -3.743 0.000 0.000) 3.743 3.434 ( 3.743 0.000 0.000) 3.743 3.514 ( -2.359 0.000 0.000) 2.359 3.514 ( 2.359 0.000 0.000) 2.359 3.726 ( -6.765 0.000 0.000) 6.765 3.726 ( 6.765 0.000 0.000) 6.765 3.862 ( -0.407 0.000 0.000) 0.407 3.862 ( 0.407 0.000 0.000) 0.407 4.069 ( -0.935 0.000 0.000) 0.935 4.069 ( 0.935 0.000 0.000) 0.935 4.280 ( -3.693 0.000 0.000) 3.693 4.280 ( 3.693 0.000 0.000) 3.693 4.295 ( -4.177 0.000 0.000) 4.177 4.295 ( 4.177 0.000 0.000) 4.177 4.530 ( -1.560 0.000 0.000) 1.560 4.530 ( 1.560 0.000 0.000) 1.560 4.686 ( -5.489 0.000 0.000) 5.489 4.686 ( 5.489 0.000 0.000) 5.489 7.290 ( -2.307 0.000 0.000) 2.307 7.290 ( 2.307 0.000 0.000) 2.307 7.314 ( -2.561 0.000 0.000) 2.561 7.314 ( 2.561 0.000 0.000) 2.561 7.568 ( -3.986 0.000 0.000) 3.986 7.568 ( 3.986 0.000 0.000) 3.986 7.637 ( -0.414 0.000 0.000) 0.414 7.637 ( 0.414 0.000 0.000) 0.414 10.417 ( -4.435 0.000 0.000) 4.435 10.417 ( 4.435 0.000 0.000) 4.435 10.663 ( -0.493 0.000 0.000) 0.493 10.663 ( 0.493 0.000 0.000) 0.493 11.195 ( -0.502 0.000 0.000) 0.502 11.195 ( 0.502 0.000 0.000) 0.502 11.557 ( -6.297 0.000 0.000) 6.297 11.557 ( 6.297 0.000 0.000) 6.297 12.186 ( -6.859 0.000 0.000) 6.859 12.186 ( 6.859 0.000 0.000) 6.859 12.294 ( -1.841 0.000 0.000) 1.841 12.294 ( 1.841 0.000 0.000) 1.841 12.992 ( -5.217 0.000 0.000) 5.217 12.992 ( 5.217 0.000 0.000) 5.217 13.072 ( -4.173 0.000 0.000) 4.173 13.072 ( 4.173 0.000 0.000) 4.173 13.428 ( -1.751 0.000 0.000) 1.751 13.428 ( 1.751 0.000 0.000) 1.751 13.541 ( -9.411 0.000 0.000) 9.411 13.541 ( 9.411 0.000 0.000) 9.411 13.923 ( -3.614 0.000 0.000) 3.614 13.923 ( 3.614 0.000 0.000) 3.614 14.019 ( -2.578 0.000 0.000) 2.578 14.019 ( 2.578 0.000 0.000) 2.578 14.114 ( -7.478 0.000 0.000) 7.478 14.114 ( 7.478 0.000 0.000) 7.478 14.191 ( -2.741 0.000 0.000) 2.741 14.191 ( 2.741 0.000 0.000) 2.741 14.220 ( -1.078 0.000 0.000) 1.078 14.220 ( 1.078 0.000 0.000) 1.078 14.323 ( -7.018 0.000 0.000) 7.018 14.323 ( 7.018 0.000 0.000) 7.018 15.284 ( -1.745 0.000 0.000) 1.745 15.284 ( 1.745 0.000 0.000) 1.745 15.401 ( -2.200 0.000 0.000) 2.200 15.401 ( 2.200 0.000 0.000) 2.200 15.693 ( -9.351 0.000 0.000) 9.351 15.693 ( 9.351 0.000 0.000) 9.351 15.711 ( -6.552 0.000 0.000) 6.552 15.711 ( 6.552 0.000 0.000) 6.552 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.25 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( 0.000 11.075 0.000) 11.075 0.279 ( 0.000 13.901 0.000) 13.901 0.585 ( 0.000 6.008 0.000) 6.008 0.638 ( 0.000 14.219 0.000) 14.219 0.743 ( 0.000 -7.880 0.000) 7.880 0.870 ( 0.000 0.056 0.000) 0.056 0.892 ( 0.000 -0.396 0.000) 0.396 0.935 ( 0.000 4.190 0.000) 4.190 1.080 ( 0.000 1.593 0.000) 1.593 1.175 ( 0.000 0.308 0.000) 0.308 1.234 ( 0.000 -3.504 0.000) 3.504 1.258 ( 0.000 -0.851 0.000) 0.851 1.324 ( 0.000 -6.387 0.000) 6.387 1.336 ( 0.000 9.376 0.000) 9.376 1.361 ( 0.000 -6.990 0.000) 6.990 1.375 ( 0.000 3.418 0.000) 3.418 1.436 ( 0.000 0.919 0.000) 0.919 1.453 ( 0.000 0.234 0.000) 0.234 1.455 ( 0.000 -0.314 0.000) 0.314 1.472 ( 0.000 -3.632 0.000) 3.632 1.532 ( 0.000 1.735 0.000) 1.735 1.556 ( 0.000 -4.150 0.000) 4.150 1.584 ( 0.000 0.267 0.000) 0.267 1.667 ( 0.000 2.215 0.000) 2.215 1.734 ( 0.000 -6.216 0.000) 6.216 1.767 ( 0.000 1.796 0.000) 1.796 1.769 ( 0.000 1.430 0.000) 1.430 1.825 ( 0.000 -5.386 0.000) 5.386 1.832 ( 0.000 0.964 0.000) 0.964 1.839 ( 0.000 2.462 0.000) 2.462 1.899 ( 0.000 -0.525 0.000) 0.525 1.925 ( 0.000 1.577 0.000) 1.577 1.968 ( 0.000 0.149 0.000) 0.149 1.970 ( 0.000 -0.196 0.000) 0.196 2.012 ( 0.000 -2.161 0.000) 2.161 2.016 ( 0.000 6.478 0.000) 6.478 2.023 ( 0.000 -3.477 0.000) 3.477 2.056 ( 0.000 3.210 0.000) 3.210 2.079 ( 0.000 0.804 0.000) 0.804 2.124 ( 0.000 0.663 0.000) 0.663 2.132 ( 0.000 -0.568 0.000) 0.568 2.138 ( 0.000 7.552 0.000) 7.552 2.181 ( 0.000 0.388 0.000) 0.388 2.203 ( 0.000 1.319 0.000) 1.319 2.237 ( 0.000 -0.639 0.000) 0.639 2.279 ( 0.000 -5.263 0.000) 5.263 2.289 ( 0.000 2.988 0.000) 2.988 2.310 ( 0.000 1.423 0.000) 1.423 2.369 ( 0.000 -0.142 0.000) 0.142 2.397 ( 0.000 0.702 0.000) 0.702 2.464 ( 0.000 -2.732 0.000) 2.732 2.551 ( 0.000 -6.701 0.000) 6.701 2.584 ( 0.000 -1.292 0.000) 1.292 2.638 ( 0.000 -0.509 0.000) 0.509 2.682 ( 0.000 -2.853 0.000) 2.853 2.715 ( 0.000 -3.162 0.000) 3.162 2.718 ( 0.000 1.864 0.000) 1.864 2.784 ( 0.000 -1.381 0.000) 1.381 2.816 ( 0.000 3.680 0.000) 3.680 2.870 ( 0.000 1.173 0.000) 1.173 2.961 ( 0.000 4.159 0.000) 4.159 2.999 ( 0.000 -4.108 0.000) 4.108 3.040 ( 0.000 -5.456 0.000) 5.456 3.092 ( 0.000 -4.994 0.000) 4.994 3.141 ( 0.000 1.035 0.000) 1.035 3.186 ( 0.000 1.432 0.000) 1.432 3.452 ( 0.000 -0.617 0.000) 0.617 3.469 ( 0.000 -2.003 0.000) 2.003 3.536 ( 0.000 1.187 0.000) 1.187 3.597 ( 0.000 11.290 0.000) 11.290 3.612 ( 0.000 -1.856 0.000) 1.856 3.684 ( 0.000 4.950 0.000) 4.950 3.717 ( 0.000 5.937 0.000) 5.937 3.870 ( 0.000 -4.046 0.000) 4.046 4.062 ( 0.000 -4.188 0.000) 4.188 4.135 ( 0.000 -12.140 0.000) 12.140 4.197 ( 0.000 -2.451 0.000) 2.451 4.218 ( 0.000 -1.056 0.000) 1.056 4.267 ( 0.000 10.436 0.000) 10.436 4.539 ( 0.000 -0.638 0.000) 0.638 4.606 ( 0.000 5.242 0.000) 5.242 4.668 ( 0.000 1.400 0.000) 1.400 4.808 ( 0.000 -2.313 0.000) 2.313 4.813 ( 0.000 -1.656 0.000) 1.656 7.106 ( 0.000 4.277 0.000) 4.277 7.220 ( 0.000 0.072 0.000) 0.072 7.260 ( 0.000 -1.875 0.000) 1.875 7.350 ( 0.000 -5.973 0.000) 5.973 7.423 ( 0.000 2.800 0.000) 2.800 7.481 ( 0.000 1.548 0.000) 1.548 7.519 ( 0.000 -1.422 0.000) 1.422 7.528 ( 0.000 -0.756 0.000) 0.756 10.296 ( 0.000 4.423 0.000) 4.423 10.563 ( 0.000 -6.717 0.000) 6.717 10.837 ( 0.000 0.059 0.000) 0.059 10.852 ( 0.000 -0.765 0.000) 0.765 11.060 ( 0.000 3.687 0.000) 3.687 11.233 ( 0.000 -3.466 0.000) 3.466 11.596 ( 0.000 6.913 0.000) 6.913 11.866 ( 0.000 -3.544 0.000) 3.544 12.011 ( 0.000 3.372 0.000) 3.372 12.128 ( 0.000 -0.504 0.000) 0.504 12.352 ( 0.000 3.373 0.000) 3.373 12.523 ( 0.000 -3.590 0.000) 3.590 12.824 ( 0.000 0.872 0.000) 0.872 12.921 ( 0.000 1.352 0.000) 1.352 12.957 ( 0.000 -4.911 0.000) 4.911 13.052 ( 0.000 -4.944 0.000) 4.944 13.194 ( 0.000 5.401 0.000) 5.401 13.471 ( 0.000 -6.201 0.000) 6.201 13.597 ( 0.000 9.119 0.000) 9.119 13.746 ( 0.000 3.328 0.000) 3.328 13.772 ( 0.000 3.945 0.000) 3.945 13.869 ( 0.000 -2.266 0.000) 2.266 13.870 ( 0.000 -4.551 0.000) 4.551 14.025 ( 0.000 -3.332 0.000) 3.332 14.028 ( 0.000 3.838 0.000) 3.838 14.158 ( 0.000 -2.084 0.000) 2.084 14.167 ( 0.000 -0.048 0.000) 0.048 14.237 ( 0.000 -0.463 0.000) 0.463 14.241 ( 0.000 -2.439 0.000) 2.439 14.273 ( 0.000 -4.919 0.000) 4.919 14.461 ( 0.000 4.072 0.000) 4.072 14.607 ( 0.000 -2.207 0.000) 2.207 15.167 ( 0.000 3.807 0.000) 3.807 15.195 ( 0.000 3.286 0.000) 3.286 15.334 ( 0.000 -2.354 0.000) 2.354 15.353 ( 0.000 -3.169 0.000) 3.169 15.555 ( 0.000 9.122 0.000) 9.122 15.944 ( 0.000 -6.631 0.000) 6.631 16.284 ( 0.000 0.520 0.000) 0.520 16.304 ( 0.000 -0.330 0.000) 0.330 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.25 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 8.963 8.350 0.000) 12.250 0.369 ( 8.110 10.054 0.000) 12.917 0.638 ( 5.631 -4.220 0.000) 7.037 0.762 ( 1.771 -7.367 0.000) 7.577 0.778 ( 12.206 13.752 0.000) 18.388 0.888 ( 1.732 -0.350 0.000) 1.767 0.902 ( 1.148 0.269 0.000) 1.179 0.971 ( 1.834 0.149 0.000) 1.840 1.085 ( 0.898 3.617 0.000) 3.727 1.192 ( 1.818 0.225 0.000) 1.832 1.204 ( 0.258 -0.364 0.000) 0.446 1.293 ( -0.751 8.193 0.000) 8.227 1.302 ( -1.526 -4.442 0.000) 4.697 1.324 ( 2.163 -4.558 0.000) 5.045 1.383 ( -0.085 -2.901 0.000) 2.903 1.398 ( 0.552 1.837 0.000) 1.918 1.416 ( -0.674 -0.864 0.000) 1.096 1.427 ( -0.336 0.345 0.000) 0.482 1.449 ( 0.017 -0.772 0.000) 0.772 1.526 ( 3.539 0.085 0.000) 3.540 1.545 ( 0.664 -0.476 0.000) 0.817 1.575 ( 2.551 -0.595 0.000) 2.619 1.620 ( 2.742 -0.992 0.000) 2.916 1.651 ( -1.408 2.156 0.000) 2.575 1.726 ( -2.517 3.890 0.000) 4.634 1.734 ( -0.120 -4.937 0.000) 4.938 1.787 ( 0.396 2.360 0.000) 2.393 1.798 ( -1.842 -2.842 0.000) 3.387 1.840 ( 0.391 -0.558 0.000) 0.682 1.860 ( -0.435 1.066 0.000) 1.152 1.893 ( 0.802 -0.269 0.000) 0.846 1.917 ( -0.845 -1.148 0.000) 1.425 1.939 ( -2.813 1.916 0.000) 3.403 1.970 ( -0.349 -0.466 0.000) 0.582 1.981 ( -1.605 -2.614 0.000) 3.067 1.993 ( -1.594 3.020 0.000) 3.414 2.049 ( 0.738 -1.968 0.000) 2.102 2.050 ( -1.390 1.446 0.000) 2.006 2.077 ( -0.444 0.204 0.000) 0.488 2.110 ( -1.348 -1.065 0.000) 1.718 2.121 ( -0.918 -0.337 0.000) 0.977 2.148 ( -0.284 3.815 0.000) 3.826 2.157 ( -1.970 -1.161 0.000) 2.287 2.202 ( 0.500 1.812 0.000) 1.880 2.206 ( 0.322 4.632 0.000) 4.643 2.272 ( -0.916 3.204 0.000) 3.332 2.302 ( 1.782 -2.015 0.000) 2.689 2.362 ( 2.512 0.106 0.000) 2.514 2.372 ( 0.502 -0.501 0.000) 0.709 2.389 ( -0.336 1.823 0.000) 1.854 2.484 ( 1.035 -1.250 0.000) 1.623 2.519 ( -3.010 -6.337 0.000) 7.016 2.557 ( -2.004 -2.508 0.000) 3.210 2.619 ( -1.904 0.212 0.000) 1.916 2.655 ( -2.335 -3.270 0.000) 4.018 2.704 ( -1.208 -1.191 0.000) 1.696 2.705 ( -1.695 2.089 0.000) 2.690 2.788 ( 0.252 -1.745 0.000) 1.764 2.811 ( -1.366 1.668 0.000) 2.156 2.853 ( -0.648 1.839 0.000) 1.950 2.934 ( -2.173 4.645 0.000) 5.128 2.955 ( -5.148 -2.809 0.000) 5.864 3.008 ( -0.982 -5.641 0.000) 5.726 3.138 ( 4.264 -5.518 0.000) 6.973 3.160 ( 3.382 2.635 0.000) 4.287 3.268 ( 5.174 -3.075 0.000) 6.018 3.370 ( -5.642 0.009 0.000) 5.642 3.480 ( -1.267 -1.608 0.000) 2.047 3.548 ( 0.869 0.583 0.000) 1.046 3.613 ( -0.443 -2.465 0.000) 2.504 3.631 ( 3.587 11.933 0.000) 12.460 3.709 ( -1.423 4.987 0.000) 5.186 3.712 ( 2.777 4.313 0.000) 5.129 3.886 ( 1.735 -4.085 0.000) 4.438 4.025 ( -2.594 -5.570 0.000) 6.145 4.141 ( 0.047 -3.743 0.000) 3.743 4.197 ( -1.420 -1.920 0.000) 2.388 4.246 ( 4.038 -7.139 0.000) 8.202 4.291 ( 1.928 9.253 0.000) 9.451 4.514 ( -2.165 0.148 0.000) 2.170 4.589 ( -1.797 4.947 0.000) 5.263 4.624 ( -7.357 7.677 0.000) 10.633 4.656 ( -1.208 1.473 0.000) 1.905 4.855 ( -1.092 -4.027 0.000) 4.172 7.131 ( 2.480 3.782 0.000) 4.523 7.226 ( 0.255 -0.058 0.000) 0.261 7.308 ( 1.979 -1.306 0.000) 2.371 7.348 ( -0.195 -5.273 0.000) 5.277 7.478 ( -0.055 1.920 0.000) 1.921 7.519 ( 2.956 -2.400 0.000) 3.808 7.549 ( 1.888 -1.249 0.000) 2.264 7.611 ( 7.864 -7.872 0.000) 11.127 10.303 ( 0.776 4.260 0.000) 4.330 10.565 ( 0.199 -6.749 0.000) 6.752 10.784 ( -4.178 0.289 0.000) 4.188 10.796 ( -5.769 0.227 0.000) 5.774 11.133 ( 6.506 1.742 0.000) 6.736 11.261 ( 2.247 -2.730 0.000) 3.536 11.540 ( -5.299 7.154 0.000) 8.903 11.826 ( -4.212 -5.312 0.000) 6.779 12.006 ( 0.360 5.195 0.000) 5.207 12.146 ( 1.535 -1.082 0.000) 1.878 12.331 ( -1.174 1.932 0.000) 2.261 12.446 ( -5.162 -2.480 0.000) 5.727 12.882 ( 5.305 0.403 0.000) 5.320 12.928 ( -0.847 4.199 0.000) 4.283 12.983 ( 2.477 -4.074 0.000) 4.768 13.123 ( 5.865 -6.052 0.000) 8.427 13.203 ( 1.035 5.073 0.000) 5.178 13.455 ( -1.499 -5.273 0.000) 5.482 13.649 ( -0.683 6.172 0.000) 6.210 13.770 ( 2.498 3.395 0.000) 4.215 13.799 ( 1.842 -1.493 0.000) 2.371 13.861 ( -1.559 -4.407 0.000) 4.675 13.886 ( 1.598 -1.728 0.000) 2.354 14.035 ( 0.528 2.220 0.000) 2.282 14.045 ( 3.817 -7.241 0.000) 8.185 14.155 ( -0.213 -2.309 0.000) 2.319 14.171 ( 0.380 0.229 0.000) 0.443 14.196 ( -3.280 -0.642 0.000) 3.342 14.223 ( -2.482 -1.506 0.000) 2.904 14.261 ( -1.120 -4.233 0.000) 4.378 14.416 ( -2.967 4.599 0.000) 5.473 14.602 ( -1.842 -3.932 0.000) 4.342 15.188 ( 2.209 3.362 0.000) 4.023 15.209 ( 1.374 3.392 0.000) 3.660 15.334 ( 0.014 -1.925 0.000) 1.925 15.380 ( 2.461 -3.486 0.000) 4.267 15.555 ( 0.087 8.534 0.000) 8.535 15.926 ( -1.951 -6.358 0.000) 6.650 15.958 ( -20.416 21.182 0.000) 29.419 16.220 ( -6.307 -0.740 0.000) 6.350 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.25 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 9.561 5.899 0.000) 11.234 0.546 ( 9.642 6.064 0.000) 11.390 0.776 ( 6.959 -5.658 0.000) 8.969 0.803 ( 2.468 -4.935 0.000) 5.518 0.913 ( 0.870 0.078 0.000) 0.873 0.928 ( 3.703 1.827 0.000) 4.130 0.953 ( 3.885 -1.465 0.000) 4.153 1.005 ( 1.919 0.831 0.000) 2.091 1.107 ( 0.336 3.750 0.000) 3.765 1.208 ( 0.717 0.888 0.000) 1.141 1.243 ( 2.795 0.134 0.000) 2.799 1.280 ( -0.619 -3.096 0.000) 3.157 1.306 ( -4.043 -2.642 0.000) 4.830 1.342 ( -4.604 2.094 0.000) 5.058 1.359 ( 0.044 -5.222 0.000) 5.223 1.427 ( 0.197 -0.351 0.000) 0.403 1.429 ( 13.120 7.096 0.000) 14.916 1.460 ( 3.278 2.240 0.000) 3.970 1.504 ( 4.390 -0.277 0.000) 4.399 1.553 ( 0.237 -2.764 0.000) 2.774 1.585 ( 2.403 1.173 0.000) 2.674 1.608 ( -0.511 0.462 0.000) 0.689 1.651 ( -0.027 1.087 0.000) 1.087 1.652 ( 1.972 1.086 0.000) 2.252 1.693 ( -0.473 4.219 0.000) 4.245 1.708 ( -2.702 -2.391 0.000) 3.607 1.778 ( -1.144 2.362 0.000) 2.625 1.782 ( 0.449 -1.726 0.000) 1.784 1.812 ( -3.954 1.872 0.000) 4.375 1.820 ( -2.693 -1.392 0.000) 3.032 1.867 ( -4.150 3.625 0.000) 5.510 1.896 ( -5.055 -0.438 0.000) 5.074 1.906 ( -0.271 -3.476 0.000) 3.486 1.926 ( 0.860 1.273 0.000) 1.536 1.974 ( 0.700 -2.339 0.000) 2.441 1.985 ( -0.102 0.773 0.000) 0.779 2.013 ( -4.579 -2.631 0.000) 5.282 2.040 ( -2.394 -0.919 0.000) 2.564 2.048 ( 2.362 -1.725 0.000) 2.925 2.097 ( 0.040 0.518 0.000) 0.520 2.107 ( -0.634 -1.834 0.000) 1.940 2.148 ( 0.771 -0.752 0.000) 1.077 2.160 ( 1.852 3.289 0.000) 3.775 2.216 ( 0.946 2.068 0.000) 2.274 2.239 ( 1.457 1.201 0.000) 1.888 2.253 ( -0.550 3.607 0.000) 3.649 2.331 ( 0.928 -1.185 0.000) 1.505 2.362 ( -1.725 0.121 0.000) 1.730 2.394 ( 1.237 3.684 0.000) 3.886 2.405 ( 1.408 0.023 0.000) 1.408 2.451 ( -3.721 1.026 0.000) 3.860 2.452 ( -3.462 -5.819 0.000) 6.771 2.551 ( -0.372 -1.500 0.000) 1.546 2.577 ( -2.053 1.841 0.000) 2.757 2.614 ( -1.365 -0.154 0.000) 1.374 2.664 ( -1.554 -1.707 0.000) 2.308 2.673 ( -1.779 0.858 0.000) 1.975 2.759 ( -3.863 1.766 0.000) 4.248 2.789 ( -0.184 -2.966 0.000) 2.971 2.834 ( -2.556 0.279 0.000) 2.571 2.877 ( -1.030 -1.774 0.000) 2.051 2.902 ( -0.702 5.411 0.000) 5.456 3.007 ( 0.787 -6.184 0.000) 6.234 3.237 ( 5.205 -8.010 0.000) 9.553 3.242 ( 4.698 1.718 0.000) 5.003 3.252 ( -6.260 2.422 0.000) 6.712 3.357 ( 4.106 -3.724 0.000) 5.543 3.441 ( -1.999 -1.130 0.000) 2.297 3.551 ( -0.574 -0.287 0.000) 0.642 3.590 ( -1.798 -1.873 0.000) 2.596 3.642 ( -5.629 4.185 0.000) 7.014 3.720 ( 4.739 9.375 0.000) 10.505 3.781 ( 4.183 3.247 0.000) 5.296 3.935 ( 3.246 -4.177 0.000) 5.290 3.977 ( -2.495 -2.960 0.000) 3.871 4.145 ( 0.610 -1.809 0.000) 1.909 4.157 ( -2.352 -0.433 0.000) 2.392 4.320 ( 0.713 7.857 0.000) 7.889 4.341 ( 5.372 -9.005 0.000) 10.486 4.482 ( -1.010 1.480 0.000) 1.792 4.525 ( -3.943 5.783 0.000) 6.999 4.539 ( -3.236 4.750 0.000) 5.748 4.629 ( -1.379 1.292 0.000) 1.890 4.809 ( -3.375 -4.673 0.000) 5.764 7.191 ( 3.498 2.492 0.000) 4.295 7.234 ( 0.728 0.785 0.000) 1.070 7.339 ( 1.298 -0.768 0.000) 1.508 7.343 ( -0.363 -3.496 0.000) 3.515 7.485 ( 0.818 2.165 0.000) 2.315 7.564 ( 1.807 -1.133 0.000) 2.133 7.588 ( 1.935 -1.797 0.000) 2.640 7.677 ( -0.040 -4.946 0.000) 4.946 10.328 ( 1.859 3.809 0.000) 4.238 10.572 ( 0.491 -6.627 0.000) 6.645 10.664 ( -7.031 1.713 0.000) 7.237 10.711 ( -3.437 -0.458 0.000) 3.468 11.270 ( 6.824 -0.506 0.000) 6.843 11.284 ( 0.249 -0.686 0.000) 0.730 11.421 ( -6.516 7.584 0.000) 9.999 11.723 ( -5.919 -5.980 0.000) 8.413 12.037 ( 2.707 5.146 0.000) 5.815 12.183 ( 2.312 -1.506 0.000) 2.759 12.318 ( -0.309 0.463 0.000) 0.557 12.375 ( -2.627 -1.484 0.000) 3.017 12.896 ( -1.303 4.523 0.000) 4.707 12.981 ( 3.802 -0.271 0.000) 3.812 13.034 ( 2.247 -2.565 0.000) 3.410 13.186 ( -1.048 -9.528 0.000) 9.585 13.249 ( 4.410 3.957 0.000) 5.925 13.427 ( -0.980 -2.683 0.000) 2.856 13.593 ( -2.992 9.376 0.000) 9.842 13.794 ( -2.516 -2.466 0.000) 3.523 13.837 ( 4.224 2.789 0.000) 5.062 13.841 ( 0.507 1.067 0.000) 1.182 13.926 ( 2.600 -1.408 0.000) 2.957 14.035 ( -0.892 0.118 0.000) 0.900 14.102 ( -1.721 -8.105 0.000) 8.286 14.142 ( 0.064 -2.028 0.000) 2.029 14.155 ( 0.369 -3.124 0.000) 3.146 14.166 ( -2.498 -0.322 0.000) 2.519 14.186 ( 1.318 0.901 0.000) 1.597 14.238 ( -0.956 -2.444 0.000) 2.624 14.367 ( -2.523 1.645 0.000) 3.012 14.527 ( -5.604 -4.449 0.000) 7.155 15.243 ( 2.125 3.626 0.000) 4.203 15.250 ( 4.241 2.104 0.000) 4.734 15.333 ( -0.091 -0.636 0.000) 0.642 15.433 ( 2.652 -3.820 0.000) 4.650 15.562 ( 0.787 6.840 0.000) 6.885 15.700 ( -7.582 17.837 0.000) 19.381 15.872 ( -3.600 -5.477 0.000) 6.554 16.063 ( -9.508 -2.306 0.000) 9.784 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.25 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 8.532 3.353 0.000) 9.167 0.718 ( 7.878 4.034 0.000) 8.851 0.853 ( 2.227 -2.349 0.000) 3.237 0.857 ( 1.544 -3.162 0.000) 3.519 0.924 ( 0.417 0.770 0.000) 0.876 0.966 ( 0.359 2.250 0.000) 2.279 1.036 ( 4.547 -3.904 0.000) 5.993 1.053 ( 1.948 1.090 0.000) 2.232 1.118 ( 2.347 1.251 0.000) 2.660 1.211 ( -5.961 2.350 0.000) 6.408 1.216 ( -2.881 -2.439 0.000) 3.775 1.240 ( -2.345 -0.724 0.000) 2.454 1.280 ( 4.459 -0.480 0.000) 4.485 1.360 ( 1.118 -3.859 0.000) 4.017 1.361 ( 5.038 -0.508 0.000) 5.063 1.437 ( 0.978 -1.167 0.000) 1.522 1.489 ( 0.162 0.815 0.000) 0.831 1.541 ( -1.910 -1.570 0.000) 2.472 1.576 ( -0.144 -1.710 0.000) 1.716 1.589 ( -1.475 -1.627 0.000) 2.196 1.595 ( -1.187 -0.863 0.000) 1.468 1.618 ( 1.617 2.301 0.000) 2.812 1.620 ( -2.229 -0.912 0.000) 2.408 1.654 ( 0.205 5.301 0.000) 5.305 1.675 ( -1.267 1.862 0.000) 2.252 1.689 ( -0.913 1.401 0.000) 1.672 1.734 ( -1.849 -0.444 0.000) 1.902 1.755 ( -2.132 0.491 0.000) 2.188 1.773 ( -2.215 3.669 0.000) 4.286 1.808 ( 0.964 2.041 0.000) 2.257 1.814 ( 4.061 1.259 0.000) 4.252 1.887 ( 2.735 -0.773 0.000) 2.842 1.896 ( -5.153 -1.163 0.000) 5.283 1.906 ( 2.266 -2.333 0.000) 3.252 1.941 ( 0.684 -0.148 0.000) 0.700 1.991 ( -2.570 -1.663 0.000) 3.061 1.998 ( 1.635 2.394 0.000) 2.899 2.017 ( 1.650 -0.869 0.000) 1.865 2.067 ( -2.783 -0.961 0.000) 2.944 2.088 ( 0.952 -1.013 0.000) 1.390 2.113 ( 0.905 1.658 0.000) 1.889 2.172 ( 1.326 -0.735 0.000) 1.516 2.202 ( 0.963 1.806 0.000) 2.047 2.233 ( 0.289 -0.343 0.000) 0.449 2.244 ( 2.044 0.299 0.000) 2.066 2.274 ( -1.231 -1.727 0.000) 2.121 2.294 ( -2.032 2.534 0.000) 3.248 2.336 ( -0.147 -2.104 0.000) 2.109 2.384 ( -2.563 0.526 0.000) 2.617 2.393 ( -1.503 -2.365 0.000) 2.802 2.416 ( -1.672 -3.471 0.000) 3.853 2.432 ( 1.146 1.735 0.000) 2.079 2.510 ( -1.796 1.936 0.000) 2.641 2.560 ( 0.317 3.940 0.000) 3.953 2.586 ( -1.384 5.311 0.000) 5.488 2.634 ( -3.275 4.431 0.000) 5.510 2.675 ( 1.145 -3.844 0.000) 4.011 2.682 ( -2.441 -1.692 0.000) 2.970 2.787 ( 0.122 -3.574 0.000) 3.576 2.801 ( -0.787 2.152 0.000) 2.291 2.881 ( 0.934 -3.829 0.000) 3.942 2.911 ( 1.210 2.680 0.000) 2.940 3.035 ( 2.028 -5.452 0.000) 5.817 3.137 ( -4.829 0.185 0.000) 4.833 3.300 ( 0.781 -0.871 0.000) 1.169 3.332 ( 4.538 1.054 0.000) 4.658 3.425 ( 2.638 -2.605 0.000) 3.708 3.443 ( 1.388 -2.358 0.000) 2.736 3.505 ( -7.679 5.328 0.000) 9.346 3.532 ( -1.402 -2.154 0.000) 2.571 3.565 ( 0.908 -2.088 0.000) 2.277 3.762 ( -1.766 -1.488 0.000) 2.309 3.861 ( 3.950 3.036 0.000) 4.982 3.940 ( -0.848 4.308 0.000) 4.390 4.001 ( 3.410 -3.763 0.000) 5.079 4.105 ( -2.603 -0.924 0.000) 2.762 4.181 ( 2.803 -0.012 0.000) 2.803 4.311 ( -1.870 6.569 0.000) 6.830 4.437 ( 3.994 -6.321 0.000) 7.477 4.444 ( -2.529 7.063 0.000) 7.502 4.476 ( -2.733 4.282 0.000) 5.079 4.492 ( 0.256 -1.127 0.000) 1.156 4.613 ( 0.043 0.033 0.000) 0.054 4.732 ( -4.521 -5.040 0.000) 6.770 7.253 ( 2.622 0.833 0.000) 2.751 7.254 ( 1.239 0.945 0.000) 1.558 7.334 ( -0.376 -1.094 0.000) 1.157 7.352 ( -0.000 -0.529 0.000) 0.529 7.511 ( 1.869 1.499 0.000) 2.396 7.581 ( -0.292 -1.321 0.000) 1.352 7.617 ( 1.100 -1.781 0.000) 2.093 7.652 ( -1.666 -1.346 0.000) 2.142 10.375 ( 3.082 3.239 0.000) 4.471 10.541 ( -5.725 2.404 0.000) 6.209 10.586 ( 1.056 -5.893 0.000) 5.987 10.655 ( -2.525 -2.251 0.000) 3.383 11.265 ( -1.098 2.847 0.000) 3.051 11.313 ( -4.356 7.488 0.000) 8.663 11.401 ( 6.241 -2.585 0.000) 6.755 11.613 ( -5.491 -5.609 0.000) 7.849 12.107 ( 4.576 3.796 0.000) 5.946 12.234 ( 2.976 -1.501 0.000) 3.333 12.302 ( -3.074 -0.044 0.000) 3.075 12.322 ( -2.027 0.015 0.000) 2.027 12.911 ( 2.959 2.275 0.000) 3.732 13.017 ( 0.530 -0.648 0.000) 0.837 13.046 ( -1.197 -1.478 0.000) 1.902 13.109 ( -5.072 -6.821 0.000) 8.500 13.373 ( 7.492 1.904 0.000) 7.730 13.435 ( 2.441 1.032 0.000) 2.651 13.540 ( -3.241 6.628 0.000) 7.378 13.710 ( -6.353 -0.459 0.000) 6.370 13.868 ( 1.904 1.409 0.000) 2.369 13.914 ( 2.902 -0.445 0.000) 2.936 13.973 ( 0.957 -2.415 0.000) 2.597 14.020 ( 1.525 1.597 0.000) 2.209 14.042 ( -2.691 -2.819 0.000) 3.898 14.143 ( -0.200 -1.994 0.000) 2.004 14.150 ( -0.454 -2.434 0.000) 2.476 14.170 ( 0.877 -3.615 0.000) 3.720 14.222 ( 2.276 0.583 0.000) 2.350 14.229 ( 0.354 -0.061 0.000) 0.359 14.306 ( -3.799 1.192 0.000) 3.982 14.409 ( -6.215 -3.996 0.000) 7.389 15.283 ( 1.916 3.703 0.000) 4.170 15.328 ( -0.395 1.293 0.000) 1.352 15.341 ( 4.783 0.728 0.000) 4.838 15.458 ( -0.561 -1.236 0.000) 1.357 15.596 ( 3.224 4.095 0.000) 5.212 15.639 ( 0.843 7.297 0.000) 7.346 15.792 ( -4.586 -3.750 0.000) 5.924 15.874 ( -9.824 -1.915 0.000) 10.008 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.25 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -0.034 1.699 0.000) 1.700 0.819 ( 0.034 1.699 0.000) 1.700 0.854 ( -0.078 0.524 0.000) 0.530 0.854 ( 0.078 0.524 0.000) 0.530 0.949 ( -0.240 1.552 0.000) 1.570 0.949 ( 0.240 1.552 0.000) 1.570 1.091 ( -1.923 1.495 0.000) 2.436 1.091 ( 1.923 1.495 0.000) 2.436 1.139 ( -0.289 -3.965 0.000) 3.975 1.139 ( 0.289 -3.965 0.000) 3.975 1.185 ( -0.400 -0.830 0.000) 0.921 1.185 ( 0.400 -0.830 0.000) 0.921 1.397 ( -3.453 -1.990 0.000) 3.985 1.397 ( 3.453 -1.990 0.000) 3.985 1.437 ( -4.082 -3.168 0.000) 5.167 1.437 ( 4.082 -3.168 0.000) 5.167 1.461 ( -0.050 1.798 0.000) 1.799 1.461 ( 0.050 1.798 0.000) 1.799 1.532 ( -2.683 -0.454 0.000) 2.722 1.532 ( 2.683 -0.454 0.000) 2.722 1.611 ( -0.088 0.094 0.000) 0.129 1.611 ( 0.088 0.094 0.000) 0.129 1.633 ( -1.680 1.291 0.000) 2.119 1.633 ( 1.680 1.291 0.000) 2.119 1.679 ( -0.123 1.990 0.000) 1.993 1.679 ( 0.123 1.990 0.000) 1.993 1.728 ( -0.023 3.400 0.000) 3.400 1.728 ( 0.023 3.400 0.000) 3.400 1.785 ( -1.926 -2.428 0.000) 3.099 1.785 ( 1.926 -2.428 0.000) 3.099 1.840 ( -0.882 0.884 0.000) 1.249 1.840 ( 0.882 0.884 0.000) 1.249 1.935 ( -0.389 -0.936 0.000) 1.014 1.935 ( 0.389 -0.936 0.000) 1.014 1.981 ( -0.731 -2.295 0.000) 2.408 1.981 ( 0.731 -2.295 0.000) 2.408 2.028 ( -0.029 2.096 0.000) 2.096 2.028 ( 0.029 2.096 0.000) 2.096 2.063 ( -3.135 0.263 0.000) 3.146 2.063 ( 3.135 0.263 0.000) 3.146 2.152 ( -4.278 1.645 0.000) 4.583 2.152 ( 4.278 1.645 0.000) 4.583 2.192 ( -0.327 0.772 0.000) 0.838 2.192 ( 0.327 0.772 0.000) 0.838 2.272 ( -0.000 -2.065 0.000) 2.065 2.272 ( 0.000 -2.065 0.000) 2.065 2.327 ( -0.506 -0.209 0.000) 0.548 2.327 ( 0.506 -0.209 0.000) 0.548 2.369 ( -0.127 -2.535 0.000) 2.538 2.369 ( 0.127 -2.535 0.000) 2.538 2.398 ( -1.389 -1.598 0.000) 2.118 2.398 ( 1.389 -1.598 0.000) 2.118 2.550 ( -2.290 4.518 0.000) 5.066 2.550 ( 2.290 4.518 0.000) 5.066 2.570 ( -0.023 4.815 0.000) 4.815 2.570 ( 0.023 4.815 0.000) 4.815 2.677 ( -0.047 -1.550 0.000) 1.551 2.677 ( 0.047 -1.550 0.000) 1.551 2.792 ( -0.051 -0.116 0.000) 0.127 2.792 ( 0.051 -0.116 0.000) 0.127 2.909 ( -0.946 -2.979 0.000) 3.125 2.909 ( 0.946 -2.979 0.000) 3.125 3.077 ( -0.531 -3.074 0.000) 3.119 3.077 ( 0.531 -3.074 0.000) 3.119 3.346 ( -4.615 5.760 0.000) 7.380 3.346 ( 4.615 5.760 0.000) 7.380 3.415 ( -2.427 -0.559 0.000) 2.491 3.415 ( 2.427 -0.559 0.000) 2.491 3.491 ( -0.884 -1.712 0.000) 1.927 3.491 ( 0.884 -1.712 0.000) 1.927 3.664 ( -4.875 -6.030 0.000) 7.754 3.664 ( 4.875 -6.030 0.000) 7.754 3.921 ( -1.075 4.364 0.000) 4.494 3.921 ( 1.075 4.364 0.000) 4.494 4.058 ( -1.101 -2.060 0.000) 2.336 4.058 ( 1.101 -2.060 0.000) 2.336 4.249 ( -3.715 3.509 0.000) 5.110 4.249 ( 3.715 3.509 0.000) 5.110 4.428 ( -0.145 7.241 0.000) 7.243 4.428 ( 0.145 7.241 0.000) 7.243 4.493 ( -0.191 -3.869 0.000) 3.873 4.493 ( 0.191 -3.869 0.000) 3.873 4.648 ( -3.295 -3.575 0.000) 4.862 4.648 ( 3.295 -3.575 0.000) 4.862 7.274 ( -0.086 0.187 0.000) 0.206 7.274 ( 0.086 0.187 0.000) 0.206 7.340 ( -0.651 0.145 0.000) 0.667 7.340 ( 0.651 0.145 0.000) 0.667 7.552 ( -2.255 -0.052 0.000) 2.255 7.552 ( 2.255 -0.052 0.000) 2.255 7.632 ( -0.035 -1.147 0.000) 1.147 7.632 ( 0.035 -1.147 0.000) 1.147 10.445 ( -3.689 2.788 0.000) 4.624 10.445 ( 3.689 2.788 0.000) 4.624 10.613 ( -0.792 -4.327 0.000) 4.399 10.613 ( 0.792 -4.327 0.000) 4.399 11.261 ( -0.560 5.968 0.000) 5.994 11.261 ( 0.560 5.968 0.000) 5.994 11.511 ( -5.183 -4.449 0.000) 6.830 11.511 ( 5.183 -4.449 0.000) 6.830 12.207 ( -5.592 1.996 0.000) 5.937 12.207 ( 5.592 1.996 0.000) 5.937 12.288 ( -1.933 -0.869 0.000) 2.119 12.288 ( 1.933 -0.869 0.000) 2.119 12.987 ( -1.614 -0.274 0.000) 1.637 12.987 ( 1.614 -0.274 0.000) 1.637 13.038 ( -0.279 -2.603 0.000) 2.618 13.038 ( 0.279 -2.603 0.000) 2.618 13.469 ( -1.468 3.596 0.000) 3.884 13.469 ( 1.468 3.596 0.000) 3.884 13.560 ( -7.313 1.012 0.000) 7.383 13.560 ( 7.313 1.012 0.000) 7.383 13.908 ( -1.449 -0.487 0.000) 1.529 13.908 ( 1.449 -0.487 0.000) 1.529 14.001 ( -0.278 -2.298 0.000) 2.315 14.001 ( 0.278 -2.298 0.000) 2.315 14.091 ( -3.964 -0.776 0.000) 4.040 14.091 ( 3.964 -0.776 0.000) 4.040 14.169 ( -0.342 -2.306 0.000) 2.331 14.169 ( 0.342 -2.306 0.000) 2.331 14.244 ( -1.089 1.594 0.000) 1.930 14.244 ( 1.089 1.594 0.000) 1.930 14.299 ( -4.953 -1.750 0.000) 5.253 14.299 ( 4.953 -1.750 0.000) 5.253 15.313 ( -0.137 3.020 0.000) 3.023 15.313 ( 0.137 3.020 0.000) 3.023 15.419 ( -0.652 0.526 0.000) 0.837 15.419 ( 0.652 0.526 0.000) 0.837 15.685 ( -0.341 0.037 0.000) 0.343 15.685 ( 0.341 0.037 0.000) 0.343 15.717 ( -0.216 0.026 0.000) 0.217 15.717 ( 0.216 0.026 0.000) 0.217 ======================= Grid point 18 (11/60) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 0.000 -9.385 0.000) 9.385 0.433 ( 0.000 9.385 0.000) 9.385 0.539 ( 0.000 -12.222 0.000) 12.222 0.539 ( 0.000 12.222 0.000) 12.222 0.882 ( 0.000 -0.843 0.000) 0.843 0.882 ( 0.000 0.843 0.000) 0.843 0.982 ( 0.000 -4.864 0.000) 4.864 0.982 ( 0.000 4.864 0.000) 4.864 1.163 ( 0.000 -7.251 0.000) 7.251 1.163 ( 0.000 7.251 0.000) 7.251 1.209 ( 0.000 -3.801 0.000) 3.801 1.209 ( 0.000 3.801 0.000) 3.801 1.210 ( 0.000 -0.592 0.000) 0.592 1.210 ( 0.000 0.592 0.000) 0.592 1.430 ( 0.000 -1.823 0.000) 1.823 1.430 ( 0.000 1.823 0.000) 1.823 1.443 ( 0.000 -1.235 0.000) 1.235 1.443 ( 0.000 1.235 0.000) 1.235 1.469 ( 0.000 -3.183 0.000) 3.183 1.469 ( 0.000 3.183 0.000) 3.183 1.544 ( 0.000 -5.635 0.000) 5.635 1.544 ( 0.000 5.635 0.000) 5.635 1.617 ( 0.000 -5.510 0.000) 5.510 1.617 ( 0.000 5.510 0.000) 5.510 1.727 ( 0.000 -4.078 0.000) 4.078 1.727 ( 0.000 4.078 0.000) 4.078 1.812 ( 0.000 -2.429 0.000) 2.429 1.812 ( 0.000 2.429 0.000) 2.429 1.866 ( 0.000 -8.419 0.000) 8.419 1.866 ( 0.000 8.419 0.000) 8.419 1.880 ( 0.000 -1.558 0.000) 1.558 1.880 ( 0.000 1.558 0.000) 1.558 1.970 ( 0.000 -0.014 0.000) 0.014 1.970 ( 0.000 0.014 0.000) 0.014 1.979 ( 0.000 -1.397 0.000) 1.397 1.979 ( 0.000 1.397 0.000) 1.397 2.088 ( 0.000 -0.506 0.000) 0.506 2.088 ( 0.000 0.506 0.000) 0.506 2.100 ( 0.000 -1.345 0.000) 1.345 2.100 ( 0.000 1.345 0.000) 1.345 2.157 ( 0.000 -2.470 0.000) 2.470 2.157 ( 0.000 2.470 0.000) 2.470 2.215 ( 0.000 -0.088 0.000) 0.088 2.215 ( 0.000 0.088 0.000) 0.088 2.225 ( 0.000 -1.053 0.000) 1.053 2.225 ( 0.000 1.053 0.000) 1.053 2.351 ( 0.000 -2.016 0.000) 2.016 2.351 ( 0.000 2.016 0.000) 2.016 2.402 ( 0.000 -7.542 0.000) 7.542 2.402 ( 0.000 7.542 0.000) 7.542 2.421 ( 0.000 -1.670 0.000) 1.670 2.421 ( 0.000 1.670 0.000) 1.670 2.604 ( 0.000 -3.281 0.000) 3.281 2.604 ( 0.000 3.281 0.000) 3.281 2.651 ( 0.000 -2.345 0.000) 2.345 2.651 ( 0.000 2.345 0.000) 2.345 2.756 ( 0.000 -1.814 0.000) 1.814 2.756 ( 0.000 1.814 0.000) 1.814 2.879 ( 0.000 -1.846 0.000) 1.846 2.879 ( 0.000 1.846 0.000) 1.846 2.954 ( 0.000 -1.541 0.000) 1.541 2.954 ( 0.000 1.541 0.000) 1.541 3.030 ( 0.000 -2.537 0.000) 2.537 3.030 ( 0.000 2.537 0.000) 2.537 3.180 ( 0.000 -1.791 0.000) 1.791 3.180 ( 0.000 1.791 0.000) 1.791 3.446 ( 0.000 -0.361 0.000) 0.361 3.446 ( 0.000 0.361 0.000) 0.361 3.570 ( 0.000 -2.130 0.000) 2.130 3.570 ( 0.000 2.130 0.000) 2.130 3.778 ( 0.000 -4.832 0.000) 4.832 3.778 ( 0.000 4.832 0.000) 4.832 3.811 ( 0.000 -5.154 0.000) 5.154 3.811 ( 0.000 5.154 0.000) 5.154 3.944 ( 0.000 -1.177 0.000) 1.177 3.944 ( 0.000 1.177 0.000) 1.177 4.193 ( 0.000 -1.151 0.000) 1.151 4.193 ( 0.000 1.151 0.000) 1.151 4.463 ( 0.000 -7.716 0.000) 7.716 4.463 ( 0.000 7.716 0.000) 7.716 4.673 ( 0.000 -1.407 0.000) 1.407 4.673 ( 0.000 1.407 0.000) 1.407 4.785 ( 0.000 -0.537 0.000) 0.537 4.785 ( 0.000 0.537 0.000) 0.537 7.219 ( 0.000 -6.763 0.000) 6.763 7.219 ( 0.000 6.763 0.000) 6.763 7.230 ( 0.000 -1.003 0.000) 1.003 7.230 ( 0.000 1.003 0.000) 1.003 7.478 ( 0.000 -2.589 0.000) 2.589 7.478 ( 0.000 2.589 0.000) 2.589 7.508 ( 0.000 -1.211 0.000) 1.211 7.508 ( 0.000 1.211 0.000) 1.211 10.416 ( 0.000 -7.393 0.000) 7.393 10.416 ( 0.000 7.393 0.000) 7.393 10.841 ( 0.000 -0.385 0.000) 0.385 10.841 ( 0.000 0.385 0.000) 0.385 11.148 ( 0.000 -4.807 0.000) 4.807 11.148 ( 0.000 4.807 0.000) 4.807 11.748 ( 0.000 -7.656 0.000) 7.656 11.748 ( 0.000 7.656 0.000) 7.656 12.091 ( 0.000 -3.496 0.000) 3.496 12.091 ( 0.000 3.496 0.000) 3.496 12.436 ( 0.000 -4.787 0.000) 4.787 12.436 ( 0.000 4.787 0.000) 4.787 12.866 ( 0.000 -3.605 0.000) 3.605 12.866 ( 0.000 3.605 0.000) 3.605 12.967 ( 0.000 -3.388 0.000) 3.388 12.967 ( 0.000 3.388 0.000) 3.388 13.327 ( 0.000 -7.711 0.000) 7.711 13.327 ( 0.000 7.711 0.000) 7.711 13.762 ( 0.000 -6.692 0.000) 6.692 13.762 ( 0.000 6.692 0.000) 6.692 13.813 ( 0.000 -3.271 0.000) 3.271 13.813 ( 0.000 3.271 0.000) 3.271 13.895 ( 0.000 -8.186 0.000) 8.186 13.895 ( 0.000 8.186 0.000) 8.186 14.105 ( 0.000 -3.378 0.000) 3.378 14.105 ( 0.000 3.378 0.000) 3.378 14.189 ( 0.000 -2.791 0.000) 2.791 14.189 ( 0.000 2.791 0.000) 2.791 14.227 ( 0.000 -0.394 0.000) 0.394 14.227 ( 0.000 0.394 0.000) 0.394 14.544 ( 0.000 -3.989 0.000) 3.989 14.544 ( 0.000 3.989 0.000) 3.989 15.257 ( 0.000 -4.822 0.000) 4.822 15.257 ( 0.000 4.822 0.000) 4.822 15.275 ( 0.000 -4.425 0.000) 4.425 15.275 ( 0.000 4.425 0.000) 4.425 15.766 ( 0.000 -10.886 0.000) 10.886 15.766 ( 0.000 10.886 0.000) 10.886 16.295 ( 0.000 -0.581 0.000) 0.581 16.295 ( 0.000 0.581 0.000) 0.581 ======================= Grid point 20 (12/60) ======================= q-point: ( 0.12 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.512 ( 7.027 -7.598 0.000) 10.349 0.512 ( 7.027 7.598 0.000) 10.349 0.581 ( 4.128 -10.597 0.000) 11.373 0.581 ( 4.128 10.597 0.000) 11.373 0.895 ( 1.225 -0.831 0.000) 1.481 0.895 ( 1.225 0.831 0.000) 1.481 0.963 ( -0.563 -4.270 0.000) 4.307 0.963 ( -0.563 4.270 0.000) 4.307 1.177 ( 1.082 -6.757 0.000) 6.843 1.177 ( 1.082 6.757 0.000) 6.843 1.217 ( 0.887 -2.854 0.000) 2.989 1.217 ( 0.887 2.854 0.000) 2.989 1.274 ( 3.478 -5.939 0.000) 6.883 1.274 ( 3.478 5.939 0.000) 6.883 1.423 ( 1.264 -0.595 0.000) 1.397 1.423 ( 1.264 0.595 0.000) 1.397 1.435 ( -1.401 -0.898 0.000) 1.664 1.435 ( -1.401 0.898 0.000) 1.664 1.471 ( 1.079 -3.906 0.000) 4.053 1.471 ( 1.079 3.906 0.000) 4.053 1.572 ( 2.552 -4.075 0.000) 4.809 1.572 ( 2.552 4.075 0.000) 4.809 1.635 ( 1.132 -4.096 0.000) 4.250 1.635 ( 1.132 4.096 0.000) 4.250 1.720 ( -0.388 -3.909 0.000) 3.928 1.720 ( -0.388 3.909 0.000) 3.928 1.802 ( -0.852 -3.379 0.000) 3.485 1.802 ( -0.852 3.379 0.000) 3.485 1.874 ( -0.253 -5.899 0.000) 5.905 1.874 ( -0.253 5.899 0.000) 5.905 1.883 ( 0.169 -0.956 0.000) 0.971 1.883 ( 0.169 0.956 0.000) 0.971 1.959 ( -1.188 -0.701 0.000) 1.379 1.959 ( -1.188 0.701 0.000) 1.379 1.961 ( -1.113 -3.531 0.000) 3.702 1.961 ( -1.113 3.531 0.000) 3.702 2.050 ( -3.242 -1.561 0.000) 3.598 2.050 ( -3.242 1.561 0.000) 3.598 2.085 ( -1.768 -0.734 0.000) 1.914 2.085 ( -1.768 0.734 0.000) 1.914 2.133 ( -1.004 -1.094 0.000) 1.484 2.133 ( -1.004 1.094 0.000) 1.484 2.224 ( -0.008 -2.611 0.000) 2.611 2.224 ( -0.008 2.611 0.000) 2.611 2.249 ( 2.039 -2.943 0.000) 3.580 2.249 ( 2.039 2.943 0.000) 3.580 2.359 ( 0.082 -1.459 0.000) 1.461 2.359 ( 0.082 1.459 0.000) 1.461 2.391 ( -0.598 -5.582 0.000) 5.614 2.391 ( -0.598 5.582 0.000) 5.614 2.438 ( 1.898 -3.002 0.000) 3.552 2.438 ( 1.898 3.002 0.000) 3.552 2.572 ( -2.867 -3.659 0.000) 4.648 2.572 ( -2.867 3.659 0.000) 4.648 2.648 ( -0.434 -2.958 0.000) 2.989 2.648 ( -0.434 2.958 0.000) 2.989 2.750 ( -0.857 -2.250 0.000) 2.408 2.750 ( -0.857 2.250 0.000) 2.408 2.875 ( -0.189 -2.718 0.000) 2.725 2.875 ( -0.189 2.718 0.000) 2.725 2.911 ( -3.943 -1.114 0.000) 4.098 2.911 ( -3.943 1.114 0.000) 4.098 3.034 ( 0.440 -5.161 0.000) 5.180 3.034 ( 0.440 5.161 0.000) 5.180 3.217 ( 3.398 -2.748 0.000) 4.370 3.217 ( 3.398 2.748 0.000) 4.370 3.419 ( -2.553 -3.873 0.000) 4.639 3.419 ( -2.553 3.873 0.000) 4.639 3.571 ( -0.183 -1.768 0.000) 1.777 3.571 ( -0.183 1.768 0.000) 1.777 3.797 ( -0.106 -3.984 0.000) 3.985 3.797 ( 0.588 -3.745 0.000) 3.790 3.797 ( -0.545 3.460 0.000) 3.502 3.797 ( 1.159 4.269 0.000) 4.423 3.980 ( 3.394 -7.843 0.000) 8.546 3.980 ( 3.394 7.843 0.000) 8.546 4.187 ( -0.469 -1.284 0.000) 1.366 4.187 ( -0.469 1.284 0.000) 1.366 4.458 ( -0.444 -6.278 0.000) 6.293 4.458 ( -0.444 6.278 0.000) 6.293 4.657 ( -1.605 -1.698 0.000) 2.336 4.657 ( -1.605 1.698 0.000) 2.336 4.751 ( -3.133 -6.013 0.000) 6.780 4.751 ( -3.133 6.013 0.000) 6.780 7.231 ( 1.219 -6.022 0.000) 6.144 7.231 ( 1.219 6.022 0.000) 6.144 7.252 ( 1.659 -2.713 0.000) 3.180 7.252 ( 1.659 2.713 0.000) 3.180 7.517 ( 0.891 -1.926 0.000) 2.122 7.517 ( 0.891 1.926 0.000) 2.122 7.527 ( 4.074 -2.622 0.000) 4.845 7.527 ( 4.074 2.622 0.000) 4.845 10.420 ( 0.391 -7.222 0.000) 7.233 10.420 ( 0.391 7.222 0.000) 7.233 10.792 ( -4.428 -0.456 0.000) 4.451 10.792 ( -4.428 0.456 0.000) 4.451 11.193 ( 3.910 -3.764 0.000) 5.427 11.193 ( 3.910 3.764 0.000) 5.427 11.696 ( -4.992 -7.776 0.000) 9.240 11.696 ( -4.992 7.776 0.000) 9.240 12.100 ( 0.979 -3.769 0.000) 3.894 12.100 ( 0.979 3.769 0.000) 3.894 12.386 ( -3.500 -3.274 0.000) 4.792 12.386 ( -3.500 3.274 0.000) 4.792 12.911 ( 4.109 -2.733 0.000) 4.935 12.911 ( 4.109 2.733 0.000) 4.935 13.013 ( 2.580 -4.815 0.000) 5.463 13.013 ( 2.580 4.815 0.000) 5.463 13.327 ( 0.093 -7.076 0.000) 7.077 13.327 ( 0.093 7.076 0.000) 7.077 13.756 ( -0.614 -4.319 0.000) 4.362 13.756 ( -0.614 4.319 0.000) 4.362 13.838 ( 2.435 -3.116 0.000) 3.955 13.838 ( 2.435 3.116 0.000) 3.955 13.895 ( 0.505 -7.564 0.000) 7.581 13.895 ( 0.505 7.564 0.000) 7.581 14.091 ( -1.265 -3.470 0.000) 3.693 14.091 ( -1.265 3.470 0.000) 3.693 14.195 ( 0.542 -2.269 0.000) 2.332 14.195 ( 0.542 2.269 0.000) 2.332 14.200 ( -2.529 -0.839 0.000) 2.665 14.200 ( -2.529 0.839 0.000) 2.665 14.515 ( -2.990 -5.024 0.000) 5.847 14.515 ( -2.990 5.024 0.000) 5.847 15.268 ( 1.112 -4.247 0.000) 4.390 15.268 ( 1.112 4.247 0.000) 4.390 15.294 ( 1.832 -4.817 0.000) 5.153 15.294 ( 1.832 4.817 0.000) 5.153 15.755 ( -1.120 -10.373 0.000) 10.433 15.755 ( -1.120 10.373 0.000) 10.433 16.175 ( -10.552 -4.689 0.000) 11.547 16.175 ( -10.552 4.689 0.000) 11.547 ======================= Grid point 22 (13/60) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 7.443 -6.319 0.000) 9.763 0.657 ( 7.443 6.319 0.000) 9.763 0.683 ( 6.236 -7.115 0.000) 9.461 0.683 ( 6.236 7.115 0.000) 9.461 0.922 ( 1.485 -1.320 0.000) 1.987 0.922 ( 1.485 1.320 0.000) 1.987 0.985 ( 2.528 -3.026 0.000) 3.943 0.985 ( 2.528 3.026 0.000) 3.943 1.186 ( -0.628 -4.706 0.000) 4.748 1.186 ( -0.628 4.706 0.000) 4.748 1.246 ( 1.906 -0.491 0.000) 1.968 1.246 ( 1.906 0.491 0.000) 1.968 1.277 ( -1.042 -2.486 0.000) 2.696 1.277 ( -1.042 2.486 0.000) 2.696 1.394 ( -2.558 -2.773 0.000) 3.772 1.394 ( -2.558 2.773 0.000) 3.772 1.507 ( 4.654 -1.588 0.000) 4.918 1.507 ( 4.654 1.588 0.000) 4.918 1.509 ( 2.543 -1.099 0.000) 2.770 1.509 ( 2.543 1.099 0.000) 2.770 1.630 ( -1.564 -2.100 0.000) 2.618 1.630 ( -1.564 2.100 0.000) 2.618 1.633 ( 3.546 -3.225 0.000) 4.794 1.633 ( 3.546 3.225 0.000) 4.794 1.729 ( 1.010 -2.982 0.000) 3.149 1.729 ( 1.010 2.982 0.000) 3.149 1.788 ( -1.025 -3.880 0.000) 4.013 1.788 ( -1.025 3.880 0.000) 4.013 1.833 ( -1.984 -3.140 0.000) 3.715 1.833 ( -1.984 3.140 0.000) 3.715 1.859 ( -3.542 -2.442 0.000) 4.302 1.859 ( -3.542 2.442 0.000) 4.302 1.926 ( -1.438 -1.549 0.000) 2.113 1.926 ( -1.438 1.549 0.000) 2.113 1.950 ( -1.327 -1.974 0.000) 2.378 1.950 ( -1.327 1.974 0.000) 2.378 2.016 ( 0.647 -1.897 0.000) 2.004 2.016 ( 0.647 1.897 0.000) 2.004 2.051 ( -1.006 -1.831 0.000) 2.089 2.051 ( -1.006 1.831 0.000) 2.089 2.127 ( 0.274 -1.295 0.000) 1.324 2.127 ( 0.274 1.295 0.000) 1.324 2.228 ( 0.432 -2.660 0.000) 2.695 2.228 ( 0.432 2.660 0.000) 2.695 2.272 ( 0.414 -3.545 0.000) 3.569 2.272 ( 0.414 3.545 0.000) 3.569 2.330 ( -2.591 -4.710 0.000) 5.376 2.330 ( -2.591 4.710 0.000) 5.376 2.392 ( -0.115 -1.791 0.000) 1.795 2.392 ( -0.115 1.791 0.000) 1.795 2.475 ( -0.289 -3.226 0.000) 3.239 2.475 ( -0.289 3.226 0.000) 3.239 2.529 ( 0.657 -2.976 0.000) 3.048 2.529 ( 0.657 2.976 0.000) 3.048 2.636 ( -0.617 -3.538 0.000) 3.591 2.636 ( -0.617 3.538 0.000) 3.591 2.719 ( -2.113 -3.786 0.000) 4.336 2.719 ( -2.113 3.786 0.000) 4.336 2.823 ( -4.585 -2.789 0.000) 5.367 2.823 ( -4.585 2.789 0.000) 5.367 2.883 ( 0.936 -4.528 0.000) 4.624 2.883 ( 0.936 4.528 0.000) 4.624 3.046 ( 0.480 -8.790 0.000) 8.803 3.046 ( 0.480 8.790 0.000) 8.803 3.292 ( 4.164 -3.082 0.000) 5.181 3.292 ( 4.164 3.082 0.000) 5.181 3.367 ( -2.135 -5.955 0.000) 6.326 3.367 ( -2.135 5.955 0.000) 6.326 3.556 ( -1.427 -1.311 0.000) 1.938 3.556 ( -1.427 1.311 0.000) 1.938 3.748 ( -3.885 -5.357 0.000) 6.618 3.748 ( -3.885 5.357 0.000) 6.618 3.853 ( 3.603 -3.933 0.000) 5.334 3.853 ( 3.603 3.933 0.000) 5.334 4.047 ( 2.401 -8.324 0.000) 8.664 4.047 ( 2.401 8.324 0.000) 8.664 4.193 ( 1.880 -4.239 0.000) 4.637 4.193 ( 1.880 4.239 0.000) 4.637 4.450 ( -0.423 -4.429 0.000) 4.449 4.450 ( -0.423 4.429 0.000) 4.449 4.617 ( -2.392 -2.551 0.000) 3.497 4.617 ( -2.392 2.551 0.000) 3.497 4.679 ( -4.214 -8.167 0.000) 9.190 4.679 ( -4.214 8.167 0.000) 9.190 7.260 ( 1.660 -4.291 0.000) 4.601 7.260 ( 1.660 4.291 0.000) 4.601 7.281 ( 1.330 -3.722 0.000) 3.953 7.281 ( 1.330 3.722 0.000) 3.953 7.539 ( 1.342 -2.956 0.000) 3.246 7.539 ( 1.342 2.956 0.000) 3.246 7.591 ( 2.045 -3.496 0.000) 4.050 7.591 ( 2.045 3.496 0.000) 4.050 10.433 ( 1.129 -6.654 0.000) 6.750 10.433 ( 1.129 6.654 0.000) 6.750 10.695 ( -5.297 -1.241 0.000) 5.441 10.695 ( -5.297 1.241 0.000) 5.441 11.270 ( 3.798 -0.534 0.000) 3.835 11.270 ( 3.798 0.534 0.000) 3.835 11.583 ( -6.208 -8.110 0.000) 10.213 11.583 ( -6.208 8.110 0.000) 10.213 12.130 ( 2.182 -3.893 0.000) 4.463 12.130 ( 2.182 3.893 0.000) 4.463 12.340 ( -1.395 -1.745 0.000) 2.234 12.340 ( -1.395 1.745 0.000) 2.234 12.991 ( 3.323 -1.421 0.000) 3.615 12.991 ( 3.323 1.421 0.000) 3.615 13.017 ( -1.765 -7.525 0.000) 7.729 13.017 ( -1.765 7.525 0.000) 7.729 13.345 ( 2.253 -5.209 0.000) 5.675 13.345 ( 2.253 5.209 0.000) 5.675 13.730 ( -2.488 -4.353 0.000) 5.014 13.730 ( -2.488 4.353 0.000) 5.014 13.893 ( 2.717 -2.221 0.000) 3.509 13.893 ( 2.717 2.221 0.000) 3.509 13.923 ( 1.962 -7.543 0.000) 7.794 13.923 ( 1.962 7.543 0.000) 7.794 14.069 ( -0.602 -3.858 0.000) 3.905 14.069 ( -0.602 3.858 0.000) 3.905 14.149 ( -2.271 -1.070 0.000) 2.511 14.149 ( -2.271 1.070 0.000) 2.511 14.208 ( 0.901 -1.185 0.000) 1.489 14.208 ( 0.901 1.185 0.000) 1.489 14.437 ( -4.937 -4.688 0.000) 6.808 14.437 ( -4.937 4.688 0.000) 6.808 15.299 ( 2.176 -2.498 0.000) 3.313 15.299 ( 2.176 2.498 0.000) 3.313 15.337 ( 2.456 -5.368 0.000) 5.904 15.337 ( 2.456 5.368 0.000) 5.904 15.726 ( -1.747 -8.734 0.000) 8.907 15.726 ( -1.747 8.734 0.000) 8.907 15.965 ( -10.419 -8.588 0.000) 13.503 15.965 ( -10.419 8.588 0.000) 13.503 ======================= Grid point 24 (14/60) ======================= q-point: ( 0.38 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.785 ( 5.657 -3.974 0.000) 6.913 0.785 ( 5.657 3.974 0.000) 6.913 0.800 ( 5.236 -3.507 0.000) 6.302 0.800 ( 5.236 3.507 0.000) 6.302 0.955 ( 2.358 -3.079 0.000) 3.879 0.955 ( 2.358 3.079 0.000) 3.879 1.033 ( 1.770 -3.469 0.000) 3.895 1.033 ( 1.770 3.469 0.000) 3.895 1.151 ( -2.258 -2.871 0.000) 3.653 1.151 ( -2.258 2.871 0.000) 3.653 1.241 ( -3.603 -0.166 0.000) 3.607 1.241 ( -3.603 0.166 0.000) 3.607 1.296 ( 3.396 -2.305 0.000) 4.104 1.296 ( 3.396 2.305 0.000) 4.104 1.380 ( 2.042 -2.837 0.000) 3.495 1.380 ( 2.042 2.837 0.000) 3.495 1.541 ( -0.770 -3.265 0.000) 3.355 1.541 ( -0.770 3.265 0.000) 3.355 1.542 ( -0.936 -1.341 0.000) 1.635 1.542 ( -0.936 1.341 0.000) 1.635 1.599 ( -0.617 -0.875 0.000) 1.071 1.599 ( -0.617 0.875 0.000) 1.071 1.665 ( -1.273 -2.333 0.000) 2.658 1.665 ( -1.273 2.333 0.000) 2.658 1.713 ( -1.817 -1.603 0.000) 2.423 1.713 ( -1.817 1.603 0.000) 2.423 1.747 ( -1.086 -2.946 0.000) 3.140 1.747 ( -1.086 2.946 0.000) 3.140 1.827 ( 1.081 -0.738 0.000) 1.309 1.827 ( 1.081 0.738 0.000) 1.309 1.843 ( -0.878 -3.194 0.000) 3.313 1.843 ( -0.878 3.194 0.000) 3.313 1.904 ( -0.699 -2.776 0.000) 2.863 1.904 ( -0.699 2.776 0.000) 2.863 1.933 ( 1.883 -3.304 0.000) 3.803 1.933 ( 1.883 3.304 0.000) 3.803 2.035 ( -0.839 -1.898 0.000) 2.076 2.035 ( -0.839 1.898 0.000) 2.076 2.053 ( 2.044 -2.600 0.000) 3.307 2.053 ( 2.044 2.600 0.000) 3.307 2.146 ( 1.583 -1.617 0.000) 2.263 2.146 ( 1.583 1.617 0.000) 2.263 2.237 ( -0.411 -1.072 0.000) 1.148 2.237 ( -0.411 1.072 0.000) 1.148 2.275 ( 0.172 -2.699 0.000) 2.705 2.275 ( 0.172 2.699 0.000) 2.705 2.277 ( -1.875 -4.241 0.000) 4.637 2.277 ( -1.875 4.241 0.000) 4.637 2.374 ( -1.379 -1.770 0.000) 2.243 2.374 ( -1.379 1.770 0.000) 2.243 2.427 ( -3.271 -1.818 0.000) 3.742 2.427 ( -3.271 1.818 0.000) 3.742 2.581 ( 2.628 -4.636 0.000) 5.329 2.581 ( 2.628 4.636 0.000) 5.329 2.629 ( -0.295 -2.961 0.000) 2.975 2.629 ( -0.295 2.961 0.000) 2.975 2.691 ( -0.268 -5.157 0.000) 5.164 2.691 ( -0.268 5.157 0.000) 5.164 2.748 ( -3.014 -5.896 0.000) 6.622 2.748 ( -3.014 5.896 0.000) 6.622 2.913 ( 2.178 -5.774 0.000) 6.172 2.913 ( 2.178 5.774 0.000) 6.172 3.030 ( -2.400 -7.820 0.000) 8.180 3.030 ( -2.400 7.820 0.000) 8.180 3.369 ( 3.793 -2.664 0.000) 4.635 3.369 ( 3.793 2.664 0.000) 4.635 3.372 ( 3.039 -5.484 0.000) 6.270 3.372 ( 3.039 5.484 0.000) 6.270 3.519 ( -2.143 -1.516 0.000) 2.626 3.519 ( -2.143 1.516 0.000) 2.626 3.647 ( -6.537 -7.890 0.000) 10.246 3.647 ( -6.537 7.890 0.000) 10.246 3.928 ( 3.998 -3.573 0.000) 5.362 3.928 ( 3.998 3.573 0.000) 5.362 4.049 ( -1.684 -4.521 0.000) 4.824 4.049 ( -1.684 4.521 0.000) 4.824 4.271 ( 5.621 -8.114 0.000) 9.871 4.271 ( 5.621 8.114 0.000) 9.871 4.436 ( -1.436 -4.835 0.000) 5.043 4.436 ( -1.436 4.835 0.000) 5.043 4.574 ( -1.852 -3.837 0.000) 4.261 4.574 ( -1.852 3.837 0.000) 4.261 4.598 ( -3.773 -7.961 0.000) 8.810 4.598 ( -3.773 7.961 0.000) 8.810 7.290 ( 1.284 -2.670 0.000) 2.963 7.290 ( 1.284 2.670 0.000) 2.963 7.301 ( 0.726 -3.514 0.000) 3.588 7.301 ( 0.726 3.514 0.000) 3.588 7.565 ( 1.308 -3.291 0.000) 3.541 7.565 ( 1.308 3.291 0.000) 3.541 7.605 ( -0.358 -2.834 0.000) 2.856 7.605 ( -0.358 2.834 0.000) 2.856 10.465 ( 2.256 -5.719 0.000) 6.148 10.465 ( 2.256 5.719 0.000) 6.148 10.599 ( -4.635 -3.184 0.000) 5.623 10.599 ( -4.635 3.184 0.000) 5.623 11.335 ( 3.065 -3.844 0.000) 4.916 11.335 ( 3.065 3.844 0.000) 4.916 11.474 ( -4.947 -8.132 0.000) 9.518 11.474 ( -4.947 8.132 0.000) 9.518 12.184 ( 3.394 -3.535 0.000) 4.900 12.184 ( 3.394 3.535 0.000) 4.900 12.312 ( -2.098 -0.861 0.000) 2.268 12.312 ( -2.098 0.861 0.000) 2.268 12.985 ( -0.756 -5.249 0.000) 5.303 12.985 ( -0.756 5.249 0.000) 5.303 13.019 ( -0.322 -0.967 0.000) 1.019 13.019 ( -0.322 0.967 0.000) 1.019 13.421 ( 5.587 -2.279 0.000) 6.034 13.421 ( 5.587 2.279 0.000) 6.034 13.656 ( -5.148 -4.712 0.000) 6.979 13.656 ( -5.148 4.712 0.000) 6.979 13.926 ( 0.806 -1.743 0.000) 1.920 13.926 ( 0.806 1.743 0.000) 1.920 13.945 ( 0.092 -5.626 0.000) 5.627 13.945 ( 0.092 5.626 0.000) 5.627 14.080 ( 1.587 -4.413 0.000) 4.689 14.080 ( 1.587 4.413 0.000) 4.689 14.125 ( -0.430 -1.009 0.000) 1.097 14.125 ( -0.430 1.009 0.000) 1.097 14.231 ( 1.557 -0.131 0.000) 1.562 14.231 ( 1.557 0.131 0.000) 1.562 14.342 ( -4.591 -2.768 0.000) 5.361 14.342 ( -4.591 2.768 0.000) 5.361 15.347 ( 2.634 -0.354 0.000) 2.658 15.347 ( 2.634 0.354 0.000) 2.658 15.378 ( 1.601 -5.320 0.000) 5.555 15.378 ( 1.601 5.320 0.000) 5.555 15.696 ( -1.066 -5.515 0.000) 5.617 15.696 ( -1.066 5.515 0.000) 5.617 15.795 ( -7.069 -6.447 0.000) 9.568 15.795 ( -7.069 6.447 0.000) 9.568 ======================= Grid point 26 (15/60) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -0.082 -1.098 0.000) 1.102 0.849 ( -0.082 1.098 0.000) 1.102 0.849 ( 0.082 -1.098 0.000) 1.102 0.849 ( 0.082 1.098 0.000) 1.102 1.019 ( -0.531 -5.330 0.000) 5.356 1.019 ( -0.531 5.330 0.000) 5.356 1.019 ( 0.531 -5.330 0.000) 5.356 1.019 ( 0.531 5.330 0.000) 5.356 1.155 ( -2.827 -2.658 0.000) 3.881 1.155 ( 2.827 -2.658 0.000) 3.881 1.155 ( -2.827 2.658 0.000) 3.881 1.155 ( 2.827 2.658 0.000) 3.881 1.386 ( -3.501 -1.377 0.000) 3.762 1.386 ( -3.501 1.377 0.000) 3.762 1.386 ( 3.501 -1.377 0.000) 3.762 1.386 ( 3.501 1.377 0.000) 3.762 1.506 ( -0.283 -2.034 0.000) 2.054 1.506 ( -0.283 2.034 0.000) 2.054 1.506 ( 0.283 -2.034 0.000) 2.054 1.506 ( 0.283 2.034 0.000) 2.054 1.622 ( -0.696 -1.122 0.000) 1.320 1.622 ( -0.696 1.122 0.000) 1.320 1.622 ( 0.696 -1.122 0.000) 1.320 1.622 ( 0.696 1.122 0.000) 1.320 1.723 ( -0.305 -2.135 0.000) 2.157 1.723 ( -0.305 2.135 0.000) 2.157 1.723 ( 0.305 -2.135 0.000) 2.157 1.723 ( 0.305 2.135 0.000) 2.157 1.830 ( -0.031 -3.215 0.000) 3.215 1.830 ( -0.031 3.215 0.000) 3.215 1.830 ( 0.031 -3.215 0.000) 3.215 1.830 ( 0.031 3.215 0.000) 3.215 1.930 ( -1.098 -1.329 0.000) 1.724 1.930 ( -1.098 1.329 0.000) 1.724 1.930 ( 1.098 -1.329 0.000) 1.724 1.930 ( 1.098 1.329 0.000) 1.724 2.058 ( -0.375 -1.026 0.000) 1.093 2.058 ( -0.375 1.026 0.000) 1.093 2.058 ( 0.375 -1.026 0.000) 1.093 2.058 ( 0.375 1.026 0.000) 1.093 2.187 ( -1.563 -1.694 0.000) 2.305 2.187 ( -1.563 1.694 0.000) 2.305 2.187 ( 1.563 -1.694 0.000) 2.305 2.187 ( 1.563 1.694 0.000) 2.305 2.280 ( -0.001 -3.170 0.000) 3.170 2.280 ( -0.001 3.170 0.000) 3.170 2.280 ( 0.001 -3.170 0.000) 3.170 2.280 ( 0.001 3.170 0.000) 3.170 2.371 ( -0.571 -1.327 0.000) 1.444 2.371 ( -0.571 1.327 0.000) 1.444 2.371 ( 0.571 -1.327 0.000) 1.444 2.371 ( 0.571 1.327 0.000) 1.444 2.615 ( -0.927 -2.127 0.000) 2.320 2.615 ( 0.927 -2.127 0.000) 2.320 2.615 ( -0.927 2.127 0.000) 2.320 2.615 ( 0.927 2.127 0.000) 2.320 2.708 ( -0.432 -5.820 0.000) 5.836 2.708 ( 0.432 -5.820 0.000) 5.836 2.708 ( -0.432 5.820 0.000) 5.836 2.708 ( 0.432 5.820 0.000) 5.836 2.968 ( -2.568 -6.278 0.000) 6.783 2.968 ( 2.568 -6.278 0.000) 6.783 2.968 ( -2.568 6.278 0.000) 6.783 2.968 ( 2.568 6.278 0.000) 6.783 3.425 ( -0.554 -0.844 0.000) 1.010 3.425 ( 0.554 -0.844 0.000) 1.010 3.425 ( -0.554 0.844 0.000) 1.010 3.425 ( 0.554 0.844 0.000) 1.010 3.521 ( -2.082 -7.091 0.000) 7.391 3.521 ( 2.082 -7.091 0.000) 7.391 3.521 ( -2.082 7.091 0.000) 7.391 3.521 ( 2.082 7.091 0.000) 7.391 3.999 ( -1.471 -3.501 0.000) 3.798 3.999 ( -1.471 3.501 0.000) 3.798 3.999 ( 1.471 -3.501 0.000) 3.798 3.999 ( 1.471 3.501 0.000) 3.798 4.377 ( -3.266 -7.434 0.000) 8.120 4.377 ( 3.266 -7.434 0.000) 8.120 4.377 ( -3.266 7.434 0.000) 8.120 4.377 ( 3.266 7.434 0.000) 8.120 4.556 ( -0.045 -5.635 0.000) 5.636 4.556 ( 0.045 -5.635 0.000) 5.636 4.556 ( -0.045 5.635 0.000) 5.636 4.556 ( 0.045 5.635 0.000) 5.636 7.305 ( -0.027 -2.585 0.000) 2.585 7.305 ( 0.027 -2.585 0.000) 2.585 7.305 ( -0.027 2.585 0.000) 2.585 7.305 ( 0.027 2.585 0.000) 2.585 7.588 ( -0.150 -2.871 0.000) 2.874 7.588 ( -0.150 2.871 0.000) 2.874 7.588 ( 0.150 -2.871 0.000) 2.874 7.588 ( 0.150 2.871 0.000) 2.874 10.520 ( -2.274 -4.603 0.000) 5.134 10.520 ( 2.274 -4.603 0.000) 5.134 10.520 ( -2.274 4.603 0.000) 5.134 10.520 ( 2.274 4.603 0.000) 5.134 11.395 ( -3.096 -6.909 0.000) 7.571 11.395 ( 3.096 -6.909 0.000) 7.571 11.395 ( -3.096 6.909 0.000) 7.571 11.395 ( 3.096 6.909 0.000) 7.571 12.254 ( -3.341 -2.440 0.000) 4.137 12.254 ( 3.341 -2.440 0.000) 4.137 12.254 ( -3.341 2.440 0.000) 4.137 12.254 ( 3.341 2.440 0.000) 4.137 12.996 ( -0.141 -1.392 0.000) 1.399 12.996 ( -0.141 1.392 0.000) 1.399 12.996 ( 0.141 -1.392 0.000) 1.399 12.996 ( 0.141 1.392 0.000) 1.399 13.541 ( -3.027 -2.980 0.000) 4.248 13.541 ( -3.027 2.980 0.000) 4.248 13.541 ( 3.027 -2.980 0.000) 4.248 13.541 ( 3.027 2.980 0.000) 4.248 13.937 ( -0.061 -3.275 0.000) 3.275 13.937 ( 0.061 -3.275 0.000) 3.275 13.937 ( -0.061 3.275 0.000) 3.275 13.937 ( 0.061 3.275 0.000) 3.275 14.112 ( -0.817 -2.679 0.000) 2.801 14.112 ( 0.817 -2.679 0.000) 2.801 14.112 ( -0.817 2.679 0.000) 2.801 14.112 ( 0.817 2.679 0.000) 2.801 14.271 ( -2.764 -1.219 0.000) 3.021 14.271 ( -2.764 1.219 0.000) 3.021 14.271 ( 2.764 -1.219 0.000) 3.021 14.271 ( 2.764 1.219 0.000) 3.021 15.386 ( -0.063 -3.566 0.000) 3.567 15.386 ( -0.063 3.566 0.000) 3.567 15.386 ( 0.063 -3.566 0.000) 3.567 15.386 ( 0.063 3.566 0.000) 3.567 15.704 ( -0.378 -1.320 0.000) 1.373 15.704 ( -0.378 1.320 0.000) 1.373 15.704 ( 0.378 -1.320 0.000) 1.373 15.704 ( 0.378 1.320 0.000) 1.373 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.242 ( 0.000 0.000 13.565) 13.565 0.243 ( 0.000 0.000 12.454) 12.454 0.527 ( 0.000 0.000 23.628) 23.628 0.644 ( 0.000 0.000 5.707) 5.707 0.770 ( 0.000 0.000 -1.630) 1.630 0.863 ( 0.000 0.000 1.129) 1.129 0.923 ( 0.000 0.000 2.103) 2.103 0.962 ( 0.000 0.000 3.347) 3.347 1.009 ( 0.000 0.000 -3.309) 3.309 1.117 ( 0.000 0.000 -0.511) 0.511 1.192 ( 0.000 0.000 -6.443) 6.443 1.214 ( 0.000 0.000 2.067) 2.067 1.298 ( 0.000 0.000 -9.456) 9.456 1.313 ( 0.000 0.000 -3.936) 3.936 1.396 ( 0.000 0.000 0.952) 0.952 1.421 ( 0.000 0.000 9.569) 9.569 1.423 ( 0.000 0.000 -1.276) 1.276 1.491 ( 0.000 0.000 -0.490) 0.490 1.514 ( 0.000 0.000 5.075) 5.075 1.518 ( 0.000 0.000 2.334) 2.334 1.532 ( 0.000 0.000 -2.334) 2.334 1.594 ( 0.000 0.000 1.090) 1.090 1.613 ( 0.000 0.000 2.802) 2.802 1.664 ( 0.000 0.000 1.055) 1.055 1.718 ( 0.000 0.000 -4.223) 4.223 1.725 ( 0.000 0.000 -3.125) 3.125 1.763 ( 0.000 0.000 0.689) 0.689 1.786 ( 0.000 0.000 -1.386) 1.386 1.822 ( 0.000 0.000 -1.071) 1.071 1.861 ( 0.000 0.000 -5.514) 5.514 1.921 ( 0.000 0.000 -4.493) 4.493 1.934 ( 0.000 0.000 -2.661) 2.661 1.939 ( 0.000 0.000 3.070) 3.070 1.948 ( 0.000 0.000 -0.698) 0.698 1.956 ( 0.000 0.000 3.783) 3.783 1.970 ( 0.000 0.000 -0.370) 0.370 2.022 ( 0.000 0.000 -0.380) 0.380 2.058 ( 0.000 0.000 -0.240) 0.240 2.064 ( 0.000 0.000 0.162) 0.162 2.088 ( 0.000 0.000 2.118) 2.118 2.153 ( 0.000 0.000 1.953) 1.953 2.160 ( 0.000 0.000 4.539) 4.539 2.187 ( 0.000 0.000 -4.394) 4.394 2.211 ( 0.000 0.000 2.336) 2.336 2.226 ( 0.000 0.000 3.414) 3.414 2.268 ( 0.000 0.000 1.116) 1.116 2.322 ( 0.000 0.000 -1.542) 1.542 2.329 ( 0.000 0.000 2.307) 2.307 2.411 ( 0.000 0.000 3.509) 3.509 2.420 ( 0.000 0.000 1.186) 1.186 2.477 ( 0.000 0.000 -1.675) 1.675 2.553 ( 0.000 0.000 -5.672) 5.672 2.554 ( 0.000 0.000 -2.651) 2.651 2.659 ( 0.000 0.000 2.534) 2.534 2.659 ( 0.000 0.000 -1.710) 1.710 2.704 ( 0.000 0.000 -4.461) 4.461 2.762 ( 0.000 0.000 1.388) 1.388 2.784 ( 0.000 0.000 -4.472) 4.472 2.819 ( 0.000 0.000 4.287) 4.287 2.852 ( 0.000 0.000 2.867) 2.867 2.916 ( 0.000 0.000 -4.018) 4.018 3.023 ( 0.000 0.000 -6.692) 6.692 3.091 ( 0.000 0.000 5.774) 5.774 3.112 ( 0.000 0.000 -1.247) 1.247 3.206 ( 0.000 0.000 2.934) 2.934 3.278 ( 0.000 0.000 -4.087) 4.087 3.423 ( 0.000 0.000 -5.662) 5.662 3.501 ( 0.000 0.000 -2.542) 2.542 3.508 ( 0.000 0.000 3.886) 3.886 3.527 ( 0.000 0.000 0.914) 0.914 3.613 ( 0.000 0.000 -2.001) 2.001 3.654 ( 0.000 0.000 -0.351) 0.351 3.690 ( 0.000 0.000 9.595) 9.595 3.847 ( 0.000 0.000 -5.267) 5.267 4.063 ( 0.000 0.000 -2.802) 2.802 4.162 ( 0.000 0.000 1.925) 1.925 4.213 ( 0.000 0.000 -2.476) 2.476 4.287 ( 0.000 0.000 4.228) 4.228 4.321 ( 0.000 0.000 1.979) 1.979 4.494 ( 0.000 0.000 -4.073) 4.073 4.549 ( 0.000 0.000 6.628) 6.628 4.588 ( 0.000 0.000 -0.574) 0.574 4.591 ( 0.000 0.000 -4.955) 4.955 4.857 ( 0.000 0.000 1.675) 1.675 7.062 ( 0.000 0.000 0.110) 0.110 7.198 ( 0.000 0.000 -2.272) 2.272 7.258 ( 0.000 0.000 1.644) 1.644 7.299 ( 0.000 0.000 1.412) 1.412 7.425 ( 0.000 0.000 -1.133) 1.133 7.442 ( 0.000 0.000 -0.469) 0.469 7.550 ( 0.000 0.000 2.195) 2.195 7.885 ( 0.000 0.000 -2.929) 2.929 10.266 ( 0.000 0.000 1.602) 1.602 10.597 ( 0.000 0.000 -4.213) 4.213 10.875 ( 0.000 0.000 3.909) 3.909 10.885 ( 0.000 0.000 2.338) 2.338 11.076 ( 0.000 0.000 5.708) 5.708 11.279 ( 0.000 0.000 2.295) 2.295 11.511 ( 0.000 0.000 -1.921) 1.921 11.877 ( 0.000 0.000 -0.838) 0.838 11.909 ( 0.000 0.000 -7.842) 7.842 12.094 ( 0.000 0.000 -3.794) 3.794 12.366 ( 0.000 0.000 4.959) 4.959 12.591 ( 0.000 0.000 2.524) 2.524 12.820 ( 0.000 0.000 0.417) 0.417 12.864 ( 0.000 0.000 3.316) 3.316 12.993 ( 0.000 0.000 -2.593) 2.593 13.134 ( 0.000 0.000 3.193) 3.193 13.204 ( 0.000 0.000 5.924) 5.924 13.430 ( 0.000 0.000 -5.825) 5.825 13.528 ( 0.000 0.000 -1.568) 1.568 13.730 ( 0.000 0.000 2.672) 2.672 13.774 ( 0.000 0.000 4.378) 4.378 13.898 ( 0.000 0.000 4.975) 4.975 13.908 ( 0.000 0.000 -0.338) 0.338 13.909 ( 0.000 0.000 -10.694) 10.694 13.980 ( 0.000 0.000 -0.577) 0.577 14.058 ( 0.000 0.000 -3.790) 3.790 14.142 ( 0.000 0.000 -10.172) 10.172 14.250 ( 0.000 0.000 -2.249) 2.249 14.311 ( 0.000 0.000 3.627) 3.627 14.381 ( 0.000 0.000 8.425) 8.425 14.573 ( 0.000 0.000 -5.770) 5.770 14.593 ( 0.000 0.000 2.350) 2.350 15.138 ( 0.000 0.000 1.168) 1.168 15.234 ( 0.000 0.000 7.860) 7.860 15.312 ( 0.000 0.000 -2.687) 2.687 15.395 ( 0.000 0.000 0.872) 0.872 15.429 ( 0.000 0.000 1.175) 1.175 15.994 ( 0.000 0.000 -2.371) 2.371 16.132 ( 0.000 0.000 -0.115) 0.115 16.229 ( 0.000 0.000 -4.638) 4.638 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.12 0.00 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.267 ( 7.486 0.000 6.166) 9.699 0.325 ( 7.512 0.000 8.043) 11.006 0.698 ( 4.727 0.000 3.108) 5.657 0.742 ( 10.645 0.000 3.661) 11.257 0.822 ( 5.501 0.000 1.280) 5.648 0.897 ( 4.734 0.000 5.731) 7.434 0.908 ( -0.564 0.000 1.774) 1.862 0.986 ( -2.343 0.000 -4.013) 4.647 1.005 ( 3.596 0.000 0.422) 3.621 1.134 ( 2.335 0.000 0.014) 2.335 1.177 ( -2.489 0.000 0.807) 2.616 1.222 ( 3.023 0.000 -5.196) 6.011 1.305 ( 1.642 0.000 -7.029) 7.218 1.356 ( 2.301 0.000 -3.230) 3.965 1.378 ( -2.394 0.000 5.793) 6.268 1.420 ( 0.357 0.000 -2.277) 2.305 1.436 ( -3.920 0.000 -0.502) 3.952 1.441 ( 1.865 0.000 4.474) 4.847 1.506 ( 2.054 0.000 0.660) 2.157 1.516 ( -3.795 0.000 -1.713) 4.163 1.591 ( 0.267 0.000 -0.860) 0.901 1.593 ( 4.047 0.000 4.261) 5.876 1.606 ( -0.723 0.000 2.004) 2.130 1.648 ( -2.658 0.000 -1.510) 3.058 1.684 ( -1.167 0.000 0.814) 1.423 1.705 ( -0.840 0.000 -3.686) 3.780 1.789 ( -1.212 0.000 -2.003) 2.341 1.798 ( 0.957 0.000 -2.113) 2.319 1.827 ( 1.195 0.000 1.024) 1.574 1.861 ( -4.608 0.000 -2.652) 5.317 1.881 ( 1.867 0.000 -2.607) 3.207 1.902 ( -3.416 0.000 1.173) 3.611 1.908 ( -1.128 0.000 -4.004) 4.160 1.959 ( 0.677 0.000 3.172) 3.243 1.994 ( 0.749 0.000 0.242) 0.787 2.003 ( 2.976 0.000 0.136) 2.979 2.004 ( -1.530 0.000 0.578) 1.635 2.036 ( -1.640 0.000 -4.686) 4.964 2.080 ( -1.741 0.000 -0.439) 1.796 2.085 ( -0.271 0.000 -1.281) 1.309 2.087 ( -0.109 0.000 1.872) 1.875 2.160 ( -0.051 0.000 4.293) 4.293 2.188 ( -1.232 0.000 1.505) 1.945 2.211 ( 0.277 0.000 2.894) 2.907 2.268 ( -0.115 0.000 2.073) 2.077 2.269 ( 3.575 0.000 5.928) 6.923 2.321 ( 0.035 0.000 -1.025) 1.025 2.341 ( -0.202 0.000 -1.426) 1.440 2.399 ( -1.224 0.000 1.960) 2.311 2.406 ( 0.164 0.000 3.056) 3.060 2.500 ( 0.857 0.000 0.152) 0.870 2.505 ( -4.070 0.000 -5.430) 6.786 2.543 ( -1.102 0.000 -3.202) 3.386 2.649 ( -0.417 0.000 -2.682) 2.714 2.658 ( -0.489 0.000 3.771) 3.803 2.703 ( -0.049 0.000 -2.197) 2.198 2.727 ( -2.676 0.000 1.103) 2.894 2.782 ( -2.813 0.000 1.751) 3.314 2.790 ( -0.630 0.000 -0.840) 1.050 2.887 ( 2.325 0.000 2.959) 3.763 2.910 ( -0.557 0.000 -2.511) 2.572 3.021 ( -8.628 0.000 2.085) 8.876 3.029 ( -1.165 0.000 -2.079) 2.384 3.093 ( 2.082 0.000 -2.249) 3.065 3.133 ( 2.027 0.000 -2.438) 3.170 3.382 ( -2.662 0.000 -3.477) 4.379 3.391 ( 6.983 0.000 0.965) 7.049 3.471 ( -2.471 0.000 -1.969) 3.160 3.520 ( 0.336 0.000 4.685) 4.697 3.535 ( 0.250 0.000 0.208) 0.325 3.636 ( 0.269 0.000 -1.763) 1.784 3.657 ( 0.272 0.000 0.643) 0.698 3.722 ( 2.517 0.000 6.637) 7.098 3.875 ( 2.884 0.000 -4.712) 5.525 4.049 ( -1.529 0.000 -2.612) 3.027 4.178 ( 1.387 0.000 1.477) 2.026 4.194 ( -1.749 0.000 -1.948) 2.618 4.238 ( -2.316 0.000 3.402) 4.115 4.384 ( 4.044 0.000 1.837) 4.442 4.476 ( -3.294 0.000 -3.087) 4.515 4.491 ( -2.921 0.000 -2.275) 3.702 4.545 ( -0.378 0.000 6.110) 6.122 4.612 ( -0.625 0.000 -1.674) 1.787 4.876 ( -0.359 0.000 -1.181) 1.235 7.091 ( 2.831 0.000 0.012) 2.831 7.254 ( -0.215 0.000 1.813) 1.825 7.290 ( 2.138 0.000 -2.826) 3.544 7.364 ( 4.238 0.000 -4.014) 5.837 7.442 ( 3.368 0.000 -3.429) 4.807 7.446 ( 0.443 0.000 -0.378) 0.582 7.569 ( 1.904 0.000 2.269) 2.962 7.842 ( -3.234 0.000 -0.327) 3.250 10.276 ( 0.891 0.000 1.563) 1.799 10.593 ( -0.453 0.000 -4.504) 4.527 10.816 ( -4.663 0.000 3.447) 5.798 10.817 ( -5.994 0.000 2.835) 6.631 11.164 ( 6.610 0.000 3.980) 7.716 11.305 ( 1.382 0.000 1.561) 2.085 11.449 ( -4.887 0.000 -0.757) 4.945 11.856 ( -4.526 0.000 -6.426) 7.860 11.904 ( 2.511 0.000 -0.545) 2.569 12.109 ( 1.494 0.000 -4.208) 4.465 12.353 ( -0.822 0.000 4.132) 4.213 12.520 ( -5.174 0.000 3.892) 6.475 12.882 ( 5.528 0.000 0.189) 5.531 12.894 ( 0.872 0.000 3.114) 3.234 13.013 ( 1.772 0.000 -2.309) 2.911 13.168 ( 2.263 0.000 2.699) 3.522 13.239 ( 5.184 0.000 3.944) 6.514 13.497 ( -2.945 0.000 -1.935) 3.524 13.517 ( -1.258 0.000 -7.518) 7.623 13.761 ( 3.132 0.000 3.186) 4.467 13.839 ( 1.876 0.000 -2.378) 3.029 13.894 ( -0.365 0.000 4.979) 4.992 13.912 ( 4.548 0.000 -11.923) 12.761 13.922 ( 1.637 0.000 0.075) 1.639 13.998 ( 0.462 0.000 -2.613) 2.654 14.041 ( -1.667 0.000 -4.362) 4.670 14.155 ( 1.975 0.000 -9.702) 9.901 14.243 ( -0.652 0.000 -2.250) 2.343 14.302 ( -0.752 0.000 3.152) 3.241 14.360 ( -1.887 0.000 7.874) 8.097 14.470 ( -7.225 0.000 4.645) 8.589 14.591 ( -2.130 0.000 -6.923) 7.243 15.162 ( 2.568 0.000 1.055) 2.776 15.240 ( 0.569 0.000 7.109) 7.131 15.314 ( 0.135 0.000 -2.330) 2.333 15.417 ( 2.333 0.000 0.685) 2.431 15.433 ( 0.410 0.000 1.204) 1.272 15.851 ( -15.575 0.000 17.176) 23.186 15.968 ( -2.616 0.000 -2.786) 3.821 16.182 ( -4.791 0.000 -4.013) 6.250 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.25 0.00 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.460 ( 10.649 0.000 -0.706) 10.673 0.495 ( 9.735 0.000 3.238) 10.259 0.763 ( 1.225 0.000 -4.392) 4.559 0.828 ( 2.650 0.000 -8.074) 8.498 0.888 ( 1.518 0.000 -0.649) 1.651 0.930 ( -1.815 0.000 -3.302) 3.768 0.964 ( 5.723 0.000 1.849) 6.015 1.005 ( 2.897 0.000 3.370) 4.444 1.066 ( 1.443 0.000 3.101) 3.420 1.151 ( 0.052 0.000 -2.926) 2.926 1.223 ( 3.986 0.000 -1.789) 4.369 1.311 ( -3.908 0.000 -0.534) 3.945 1.315 ( 3.181 0.000 -1.332) 3.448 1.358 ( -1.618 0.000 0.979) 1.891 1.369 ( -1.980 0.000 -5.301) 5.659 1.423 ( 12.406 0.000 5.965) 13.765 1.423 ( -3.653 0.000 -0.627) 3.707 1.453 ( -0.951 0.000 0.965) 1.356 1.478 ( 4.391 0.000 -5.952) 7.397 1.554 ( 2.390 0.000 -1.666) 2.914 1.558 ( -3.312 0.000 -3.324) 4.693 1.601 ( 0.655 0.000 1.896) 2.005 1.604 ( -1.099 0.000 -2.769) 2.979 1.649 ( 1.236 0.000 2.260) 2.576 1.672 ( -1.231 0.000 -0.156) 1.241 1.693 ( -1.198 0.000 -1.157) 1.666 1.744 ( -1.656 0.000 -0.404) 1.704 1.764 ( -4.422 0.000 -2.144) 4.914 1.798 ( -1.451 0.000 -3.377) 3.675 1.812 ( -4.241 0.000 0.245) 4.248 1.867 ( 0.143 0.000 -1.483) 1.490 1.877 ( -3.667 0.000 -1.090) 3.826 1.900 ( -5.968 0.000 1.890) 6.260 1.905 ( 2.189 0.000 1.708) 2.777 1.971 ( 0.398 0.000 2.049) 2.087 2.011 ( 1.898 0.000 -1.109) 2.198 2.047 ( 1.045 0.000 -1.420) 1.763 2.057 ( -0.335 0.000 -0.666) 0.746 2.070 ( 3.692 0.000 -2.130) 4.263 2.086 ( 0.074 0.000 1.162) 1.165 2.105 ( 0.209 0.000 -1.374) 1.389 2.158 ( -0.047 0.000 4.091) 4.091 2.179 ( 0.491 0.000 1.545) 1.621 2.228 ( 1.322 0.000 4.331) 4.529 2.262 ( -0.512 0.000 1.704) 1.779 2.266 ( -3.098 0.000 2.558) 4.017 2.336 ( 1.862 0.000 1.545) 2.420 2.341 ( -1.159 0.000 -0.951) 1.499 2.390 ( 0.502 0.000 2.138) 2.196 2.419 ( 1.182 0.000 3.015) 3.238 2.436 ( -2.096 0.000 -5.280) 5.681 2.490 ( -1.376 0.000 1.460) 2.006 2.525 ( -0.290 0.000 1.112) 1.149 2.631 ( -2.513 0.000 5.178) 5.755 2.642 ( -1.014 0.000 -1.240) 1.601 2.665 ( -3.739 0.000 4.619) 5.943 2.724 ( 1.222 0.000 0.162) 1.233 2.740 ( 0.198 0.000 -1.201) 1.217 2.757 ( -2.483 0.000 0.538) 2.540 2.888 ( -2.064 0.000 2.270) 3.068 2.892 ( -3.175 0.000 0.164) 3.179 2.942 ( 1.385 0.000 4.403) 4.615 2.987 ( -2.105 0.000 -5.879) 6.244 3.154 ( 1.766 0.000 -4.139) 4.500 3.189 ( 4.692 0.000 -3.407) 5.799 3.361 ( 1.006 0.000 -2.832) 3.006 3.406 ( -3.895 0.000 -1.411) 4.143 3.520 ( 2.677 0.000 -1.307) 2.979 3.531 ( 0.813 0.000 4.322) 4.398 3.536 ( 1.199 0.000 -1.442) 1.875 3.623 ( -3.769 0.000 2.869) 4.737 3.633 ( 1.262 0.000 1.122) 1.689 3.783 ( 3.628 0.000 3.775) 5.236 3.945 ( 3.907 0.000 -3.783) 5.439 4.004 ( -3.165 0.000 -1.706) 3.595 4.150 ( -2.839 0.000 -1.525) 3.223 4.198 ( 0.766 0.000 2.510) 2.624 4.225 ( 0.770 0.000 0.508) 0.922 4.383 ( -4.982 0.000 -4.026) 6.406 4.464 ( -0.904 0.000 -0.921) 1.290 4.464 ( 3.599 0.000 0.361) 3.617 4.539 ( -0.128 0.000 4.524) 4.526 4.584 ( -1.995 0.000 -1.119) 2.288 4.840 ( -3.137 0.000 -1.658) 3.548 7.159 ( 3.839 0.000 -0.425) 3.862 7.257 ( 0.662 0.000 2.106) 2.207 7.319 ( 1.061 0.000 -1.796) 2.087 7.373 ( -1.166 0.000 -0.286) 1.200 7.461 ( 1.210 0.000 -0.349) 1.260 7.524 ( 3.198 0.000 -5.676) 6.515 7.614 ( 2.536 0.000 2.770) 3.756 7.782 ( -2.858 0.000 1.936) 3.452 10.301 ( 1.811 0.000 1.220) 2.183 10.571 ( -2.317 0.000 -4.496) 5.058 10.702 ( -4.939 0.000 2.612) 5.587 10.731 ( -3.829 0.000 1.631) 4.162 11.238 ( -1.250 0.000 -2.561) 2.850 11.292 ( -2.867 0.000 -0.189) 2.873 11.405 ( 2.874 0.000 5.858) 6.525 11.770 ( -4.074 0.000 -2.477) 4.768 11.969 ( 4.331 0.000 0.102) 4.332 12.152 ( 3.049 0.000 -3.874) 4.929 12.339 ( -0.707 0.000 2.549) 2.645 12.430 ( -4.404 0.000 3.244) 5.469 12.888 ( -0.185 0.000 3.918) 3.922 12.987 ( 4.018 0.000 -0.068) 4.019 13.046 ( 1.340 0.000 -1.863) 2.295 13.218 ( 4.300 0.000 1.661) 4.610 13.372 ( -9.991 0.000 -3.915) 10.730 13.381 ( 7.587 0.000 1.044) 7.658 13.450 ( -2.793 0.000 -0.514) 2.840 13.811 ( -3.160 0.000 0.147) 3.163 13.829 ( 2.566 0.000 3.342) 4.213 13.893 ( 1.338 0.000 4.082) 4.296 13.972 ( -2.276 0.000 -5.979) 6.397 13.976 ( 4.018 0.000 1.940) 4.462 14.008 ( -1.174 0.000 -6.057) 6.170 14.018 ( 3.947 0.000 -9.439) 10.231 14.181 ( -0.976 0.000 -3.926) 4.045 14.228 ( -0.890 0.000 -2.289) 2.456 14.287 ( -1.224 0.000 1.243) 1.745 14.323 ( -1.627 0.000 6.561) 6.759 14.349 ( -4.563 0.000 2.237) 5.082 14.521 ( -4.768 0.000 -6.866) 8.359 15.236 ( 4.974 0.000 0.662) 5.018 15.255 ( 1.067 0.000 5.320) 5.426 15.315 ( -0.104 0.000 -1.408) 1.412 15.442 ( 0.485 0.000 1.451) 1.530 15.483 ( 4.437 0.000 0.362) 4.452 15.665 ( -5.150 0.000 13.047) 14.027 15.896 ( -4.867 0.000 -3.757) 6.148 16.056 ( -7.990 0.000 -2.317) 8.319 ======================= Grid point 48 (19/60) ======================= q-point: ( 0.38 0.00 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.637 ( 7.373 0.000 -3.007) 7.963 0.679 ( 8.811 0.000 0.432) 8.821 0.769 ( -0.334 0.000 -7.188) 7.195 0.859 ( -0.387 0.000 -4.530) 4.547 0.911 ( 1.118 0.000 -4.923) 5.049 0.923 ( 3.281 0.000 -3.945) 5.131 1.038 ( 1.898 0.000 1.516) 2.429 1.088 ( 0.056 0.000 0.772) 0.774 1.093 ( 4.715 0.000 0.500) 4.741 1.159 ( 0.781 0.000 -4.480) 4.548 1.207 ( -6.020 0.000 1.523) 6.209 1.251 ( -5.711 0.000 1.061) 5.809 1.272 ( 1.799 0.000 -5.336) 5.631 1.327 ( -2.648 0.000 -7.609) 8.057 1.383 ( 4.653 0.000 -1.084) 4.777 1.426 ( -0.077 0.000 -3.692) 3.692 1.438 ( 2.369 0.000 -1.170) 2.642 1.502 ( -2.088 0.000 -3.038) 3.687 1.539 ( 0.216 0.000 -8.849) 8.852 1.561 ( -1.773 0.000 -0.138) 1.779 1.578 ( -2.114 0.000 -2.356) 3.165 1.596 ( -0.005 0.000 -1.041) 1.041 1.627 ( 0.040 0.000 0.873) 0.874 1.640 ( -1.358 0.000 0.879) 1.618 1.663 ( -1.256 0.000 0.731) 1.453 1.678 ( -0.786 0.000 3.158) 3.254 1.696 ( -2.205 0.000 -1.817) 2.857 1.748 ( 8.379 0.000 -0.376) 8.387 1.750 ( -4.721 0.000 0.129) 4.723 1.784 ( 1.250 0.000 -1.524) 1.971 1.789 ( -0.644 0.000 0.960) 1.156 1.837 ( -2.283 0.000 -0.958) 2.476 1.873 ( 1.419 0.000 -1.736) 2.242 1.940 ( -1.202 0.000 1.766) 2.136 2.008 ( -2.421 0.000 0.286) 2.438 2.012 ( 5.705 0.000 5.528) 7.944 2.052 ( -2.942 0.000 -0.337) 2.961 2.068 ( 0.473 0.000 2.414) 2.460 2.080 ( 0.281 0.000 -1.269) 1.300 2.090 ( 0.299 0.000 0.365) 0.472 2.121 ( 0.416 0.000 2.200) 2.239 2.164 ( 1.346 0.000 -1.779) 2.231 2.190 ( -0.093 0.000 0.223) 0.242 2.229 ( -1.421 0.000 -1.398) 1.993 2.243 ( 0.599 0.000 2.868) 2.929 2.278 ( 2.536 0.000 1.827) 3.126 2.288 ( -2.220 0.000 -0.183) 2.228 2.375 ( -1.784 0.000 -4.568) 4.904 2.394 ( 3.880 0.000 3.559) 5.265 2.432 ( 0.152 0.000 2.400) 2.404 2.452 ( 2.094 0.000 4.479) 4.944 2.466 ( -0.877 0.000 0.576) 1.050 2.534 ( -0.711 0.000 5.375) 5.422 2.570 ( -1.924 0.000 6.327) 6.613 2.593 ( -3.797 0.000 7.105) 8.056 2.611 ( -1.848 0.000 2.360) 2.997 2.712 ( -1.728 0.000 -0.225) 1.742 2.715 ( -0.250 0.000 -0.595) 0.645 2.776 ( 0.076 0.000 3.005) 3.006 2.836 ( -2.939 0.000 3.357) 4.462 2.874 ( 1.946 0.000 -2.960) 3.542 2.952 ( -1.859 0.000 -8.237) 8.444 3.003 ( 5.580 0.000 3.695) 6.693 3.164 ( 0.183 0.000 1.446) 1.458 3.290 ( 4.807 0.000 -2.920) 5.624 3.328 ( -3.914 0.000 -0.816) 3.998 3.411 ( 3.170 0.000 -4.508) 5.511 3.457 ( -7.532 0.000 1.094) 7.611 3.494 ( -2.998 0.000 0.067) 2.999 3.528 ( -2.315 0.000 -3.308) 4.038 3.632 ( 5.051 0.000 5.146) 7.210 3.723 ( 5.261 0.000 -0.201) 5.265 3.846 ( 2.566 0.000 1.802) 3.135 3.928 ( -4.509 0.000 0.199) 4.513 4.010 ( 2.617 0.000 -3.520) 4.387 4.092 ( -2.886 0.000 -1.560) 3.281 4.213 ( 0.562 0.000 -0.153) 0.583 4.257 ( 2.902 0.000 1.567) 3.298 4.295 ( -3.986 0.000 -3.894) 5.572 4.412 ( -3.798 0.000 0.729) 3.868 4.530 ( 0.862 0.000 2.781) 2.911 4.551 ( -1.148 0.000 -0.871) 1.441 4.566 ( 4.526 0.000 -1.149) 4.670 4.764 ( -4.674 0.000 -1.963) 5.069 7.228 ( 3.323 0.000 -0.774) 3.412 7.281 ( 1.704 0.000 1.605) 2.341 7.326 ( -0.625 0.000 -1.175) 1.331 7.342 ( -1.834 0.000 -0.149) 1.840 7.493 ( 2.026 0.000 -0.675) 2.136 7.553 ( -0.014 0.000 -3.910) 3.910 7.660 ( 2.244 0.000 3.697) 4.325 7.735 ( -2.092 0.000 4.097) 4.600 10.346 ( 2.928 0.000 0.439) 2.961 10.498 ( -4.690 0.000 -1.816) 5.030 10.649 ( -1.016 0.000 -0.538) 1.149 10.674 ( -2.187 0.000 -0.448) 2.232 11.179 ( -2.681 0.000 -3.468) 4.383 11.218 ( -3.999 0.000 -1.777) 4.376 11.508 ( 6.031 0.000 6.868) 9.140 11.696 ( -3.933 0.000 2.113) 4.464 12.069 ( 5.996 0.000 0.670) 6.034 12.217 ( 3.162 0.000 -2.680) 4.145 12.324 ( -1.026 0.000 1.055) 1.471 12.335 ( -5.559 0.000 2.019) 5.915 12.914 ( 2.925 0.000 2.471) 3.830 13.031 ( 1.495 0.000 0.290) 1.523 13.046 ( -1.801 0.000 -1.644) 2.439 13.188 ( -8.034 0.000 -1.450) 8.164 13.337 ( 7.053 0.000 -1.145) 7.146 13.416 ( -0.560 0.000 0.218) 0.601 13.485 ( 3.228 0.000 2.826) 4.290 13.713 ( -6.965 0.000 0.611) 6.991 13.846 ( 1.126 0.000 -0.518) 1.239 13.933 ( -1.854 0.000 -4.471) 4.840 13.960 ( 3.845 0.000 1.694) 4.202 14.007 ( 1.776 0.000 -2.046) 2.710 14.052 ( -0.680 0.000 -4.677) 4.727 14.080 ( 6.145 0.000 -0.266) 6.151 14.127 ( -3.108 0.000 -3.071) 4.369 14.213 ( -0.536 0.000 -2.228) 2.292 14.252 ( -2.188 0.000 -0.311) 2.210 14.278 ( -3.830 0.000 2.048) 4.343 14.310 ( 0.438 0.000 4.955) 4.974 14.425 ( -4.926 0.000 -3.837) 6.245 15.275 ( 1.102 0.000 3.183) 3.368 15.309 ( -0.549 0.000 -0.158) 0.571 15.347 ( 5.902 0.000 0.838) 5.962 15.448 ( -0.052 0.000 2.145) 2.145 15.577 ( 4.553 0.000 0.474) 4.578 15.628 ( 1.780 0.000 5.701) 5.972 15.785 ( -6.564 0.000 -4.444) 7.927 15.892 ( -8.773 0.000 -0.101) 8.774 ======================= Grid point 49 (20/60) ======================= q-point: (-0.50 0.00 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -2.669 0.000 -6.113) 6.670 0.735 ( 2.669 0.000 -6.113) 6.670 0.811 ( -4.438 0.000 -1.649) 4.734 0.811 ( 4.438 0.000 -1.649) 4.734 0.971 ( -0.649 0.000 -0.636) 0.908 0.971 ( 0.649 0.000 -0.636) 0.908 1.071 ( -2.313 0.000 -7.979) 8.308 1.071 ( 2.313 0.000 -7.979) 8.308 1.101 ( -4.204 0.000 1.401) 4.432 1.101 ( 4.204 0.000 1.401) 4.432 1.196 ( -0.735 0.000 -0.746) 1.048 1.196 ( 0.735 0.000 -0.746) 1.048 1.300 ( -0.129 0.000 -7.506) 7.507 1.300 ( 0.129 0.000 -7.506) 7.507 1.454 ( -2.601 0.000 -6.480) 6.983 1.454 ( 2.601 0.000 -6.480) 6.983 1.485 ( -1.864 0.000 -0.529) 1.938 1.485 ( 1.864 0.000 -0.529) 1.938 1.495 ( -4.362 0.000 -0.728) 4.422 1.495 ( 4.362 0.000 -0.728) 4.422 1.561 ( -1.499 0.000 -1.965) 2.472 1.561 ( 1.499 0.000 -1.965) 2.472 1.625 ( -0.120 0.000 0.959) 0.966 1.625 ( 0.120 0.000 0.959) 0.966 1.660 ( -1.959 0.000 1.008) 2.204 1.660 ( 1.959 0.000 1.008) 2.204 1.691 ( -1.084 0.000 2.209) 2.461 1.691 ( 1.084 0.000 2.209) 2.461 1.789 ( -0.261 0.000 -0.796) 0.838 1.789 ( 0.261 0.000 -0.796) 0.838 1.844 ( -1.782 0.000 -2.923) 3.424 1.844 ( 1.782 0.000 -2.923) 3.424 1.932 ( -5.496 0.000 -0.392) 5.510 1.932 ( 5.496 0.000 -0.392) 5.510 1.962 ( -4.271 0.000 0.152) 4.274 1.962 ( 4.271 0.000 0.152) 4.274 2.079 ( -0.019 0.000 4.522) 4.522 2.079 ( 0.019 0.000 4.522) 4.522 2.091 ( -0.031 0.000 0.018) 0.036 2.091 ( 0.031 0.000 0.018) 0.036 2.157 ( -4.749 0.000 2.664) 5.445 2.157 ( 4.749 0.000 2.664) 5.445 2.185 ( -0.059 0.000 -2.912) 2.912 2.185 ( 0.059 0.000 -2.912) 2.912 2.268 ( -0.156 0.000 0.983) 0.995 2.268 ( 0.156 0.000 0.983) 0.995 2.334 ( -1.664 0.000 -0.665) 1.792 2.334 ( 1.664 0.000 -0.665) 1.792 2.440 ( -0.236 0.000 0.832) 0.864 2.440 ( 0.236 0.000 0.832) 0.864 2.469 ( -3.476 0.000 3.715) 5.087 2.469 ( 3.476 0.000 3.715) 5.087 2.516 ( -2.696 0.000 6.384) 6.930 2.516 ( 2.696 0.000 6.384) 6.930 2.583 ( -0.299 0.000 7.065) 7.072 2.583 ( 0.299 0.000 7.065) 7.072 2.704 ( -0.134 0.000 -0.103) 0.169 2.704 ( 0.134 0.000 -0.103) 0.169 2.787 ( -1.583 0.000 2.157) 2.676 2.787 ( 1.583 0.000 2.157) 2.676 2.915 ( -1.942 0.000 -5.577) 5.905 2.915 ( 1.942 0.000 -5.577) 5.905 3.137 ( -2.868 0.000 4.449) 5.293 3.137 ( 2.868 0.000 4.449) 5.293 3.288 ( -0.645 0.000 -0.982) 1.175 3.288 ( 0.645 0.000 -0.982) 1.175 3.419 ( -3.682 0.000 -1.179) 3.866 3.419 ( 3.682 0.000 -1.179) 3.866 3.477 ( -1.920 0.000 -3.122) 3.665 3.477 ( 1.920 0.000 -3.122) 3.665 3.740 ( -2.543 0.000 1.116) 2.778 3.740 ( 2.543 0.000 1.116) 2.778 3.872 ( -0.332 0.000 0.927) 0.985 3.872 ( 0.332 0.000 0.927) 0.985 4.047 ( -1.090 0.000 -2.369) 2.607 4.047 ( 1.090 0.000 -2.369) 2.607 4.235 ( -0.451 0.000 -2.335) 2.378 4.235 ( 0.451 0.000 -2.335) 2.378 4.330 ( -1.703 0.000 1.562) 2.311 4.330 ( 1.703 0.000 1.562) 2.311 4.538 ( -0.093 0.000 0.725) 0.731 4.538 ( 0.093 0.000 0.725) 0.731 4.666 ( -5.308 0.000 -1.950) 5.655 4.666 ( 5.308 0.000 -1.950) 5.655 7.287 ( -1.652 0.000 -0.222) 1.667 7.287 ( 1.652 0.000 -0.222) 1.667 7.314 ( -0.854 0.000 -0.218) 0.881 7.314 ( 0.854 0.000 -0.218) 0.881 7.532 ( -1.808 0.000 -1.864) 2.596 7.532 ( 1.808 0.000 -1.864) 2.596 7.699 ( -0.555 0.000 4.495) 4.529 7.699 ( 0.555 0.000 4.495) 4.529 10.413 ( -3.754 0.000 -0.442) 3.780 10.413 ( 3.754 0.000 -0.442) 3.780 10.647 ( -0.143 0.000 -1.532) 1.538 10.647 ( 0.143 0.000 -1.532) 1.538 11.164 ( -0.684 0.000 -2.618) 2.706 11.164 ( 0.684 0.000 -2.618) 2.706 11.613 ( -4.835 0.000 5.154) 7.067 11.613 ( 4.835 0.000 5.154) 7.067 12.191 ( -6.259 0.000 0.477) 6.277 12.191 ( 6.259 0.000 0.477) 6.277 12.294 ( -1.396 0.000 0.095) 1.399 12.294 ( 1.396 0.000 0.095) 1.399 12.983 ( -2.198 0.000 -0.766) 2.328 12.983 ( 2.198 0.000 -0.766) 2.328 13.078 ( -1.410 0.000 0.597) 1.531 13.078 ( 1.410 0.000 0.597) 1.531 13.417 ( -0.036 0.000 -0.907) 0.907 13.417 ( 0.036 0.000 -0.907) 0.907 13.569 ( -6.548 0.000 2.465) 6.996 13.569 ( 6.548 0.000 2.465) 6.996 13.889 ( -2.479 0.000 -2.878) 3.799 13.889 ( 2.479 0.000 -2.878) 3.799 14.013 ( -0.670 0.000 -1.736) 1.861 14.013 ( 0.670 0.000 -1.736) 1.861 14.070 ( -3.540 0.000 -3.205) 4.775 14.070 ( 3.540 0.000 -3.205) 4.775 14.193 ( -4.333 0.000 1.041) 4.456 14.193 ( 4.333 0.000 1.041) 4.456 14.215 ( -0.461 0.000 -0.795) 0.919 14.215 ( 0.461 0.000 -0.795) 0.919 14.344 ( -3.150 0.000 1.468) 3.476 14.344 ( 3.150 0.000 1.468) 3.476 15.294 ( -0.137 0.000 1.362) 1.369 15.294 ( 0.137 0.000 1.362) 1.369 15.430 ( -0.508 0.000 2.418) 2.471 15.430 ( 0.508 0.000 2.418) 2.471 15.660 ( -4.376 0.000 -2.193) 4.895 15.660 ( 4.376 0.000 -2.193) 4.895 15.734 ( -5.426 0.000 1.209) 5.559 15.734 ( 5.426 0.000 1.209) 5.559 ======================= Grid point 54 (21/60) ======================= q-point: ( 0.00 0.25 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.322 ( 0.000 10.448 5.430) 11.774 0.336 ( 0.000 7.663 9.640) 12.314 0.621 ( 0.000 -3.460 3.976) 5.271 0.714 ( 0.000 7.000 1.062) 7.080 0.773 ( 0.000 -1.754 0.583) 1.849 0.808 ( 0.000 -7.390 -1.387) 7.519 0.911 ( 0.000 8.688 9.778) 13.080 1.011 ( 0.000 3.010 1.675) 3.444 1.033 ( 0.000 2.650 -3.452) 4.352 1.126 ( 0.000 -0.505 -0.442) 0.671 1.158 ( 0.000 -3.258 -6.152) 6.961 1.235 ( 0.000 -3.723 -4.859) 6.122 1.278 ( 0.000 5.900 -0.481) 5.920 1.327 ( 0.000 -0.105 -4.269) 4.271 1.404 ( 0.000 -0.310 4.627) 4.637 1.408 ( 0.000 -2.881 0.734) 2.973 1.467 ( 0.000 -0.367 1.531) 1.574 1.480 ( 0.000 2.208 4.669) 5.165 1.482 ( 0.000 -0.246 1.892) 1.908 1.501 ( 0.000 -1.378 -1.542) 2.068 1.544 ( 0.000 0.353 5.158) 5.170 1.561 ( 0.000 -1.166 1.104) 1.605 1.587 ( 0.000 -0.102 -0.304) 0.321 1.694 ( 0.000 1.733 2.155) 2.765 1.695 ( 0.000 -1.971 -1.716) 2.614 1.760 ( 0.000 1.007 -5.959) 6.043 1.777 ( 0.000 0.974 -0.059) 0.976 1.796 ( 0.000 1.040 -3.060) 3.232 1.804 ( 0.000 -0.752 0.239) 0.789 1.829 ( 0.000 -2.387 -1.273) 2.706 1.881 ( 0.000 -2.458 -1.475) 2.867 1.909 ( 0.000 -0.436 -3.454) 3.482 1.915 ( 0.000 -1.091 -0.537) 1.216 1.954 ( 0.000 -0.024 0.298) 0.299 2.005 ( 0.000 2.439 0.091) 2.441 2.008 ( 0.000 -0.292 -0.705) 0.763 2.034 ( 0.000 0.749 -0.290) 0.804 2.056 ( 0.000 -1.080 1.250) 1.652 2.072 ( 0.000 1.601 -3.950) 4.262 2.097 ( 0.000 0.540 0.521) 0.750 2.151 ( 0.000 1.307 2.034) 2.417 2.203 ( 0.000 1.521 -1.664) 2.255 2.206 ( 0.000 2.621 3.771) 4.592 2.232 ( 0.000 0.680 3.065) 3.140 2.234 ( 0.000 2.048 2.682) 3.375 2.270 ( 0.000 -3.303 -0.381) 3.325 2.305 ( 0.000 1.864 0.744) 2.007 2.332 ( 0.000 -0.406 1.645) 1.694 2.401 ( 0.000 -0.525 3.201) 3.244 2.417 ( 0.000 0.508 -0.509) 0.719 2.422 ( 0.000 -4.179 -1.754) 4.532 2.523 ( 0.000 -2.856 -3.744) 4.709 2.572 ( 0.000 1.983 1.628) 2.565 2.654 ( 0.000 -0.015 3.702) 3.702 2.676 ( 0.000 1.473 -2.592) 2.981 2.714 ( 0.000 -0.283 -3.889) 3.900 2.759 ( 0.000 -0.634 -0.272) 0.690 2.772 ( 0.000 -2.186 1.302) 2.545 2.824 ( 0.000 1.277 -2.018) 2.388 2.833 ( 0.000 -1.225 2.406) 2.700 2.906 ( 0.000 -1.189 -2.774) 3.019 2.986 ( 0.000 -4.850 -2.419) 5.420 3.084 ( 0.000 -0.783 -0.075) 0.786 3.112 ( 0.000 -0.161 6.962) 6.964 3.172 ( 0.000 -1.266 -1.538) 1.992 3.195 ( 0.000 1.472 2.482) 2.886 3.441 ( 0.000 -3.580 -2.188) 4.195 3.482 ( 0.000 -2.206 -0.767) 2.336 3.536 ( 0.000 1.383 2.538) 2.890 3.548 ( 0.000 6.359 -3.637) 7.326 3.611 ( 0.000 1.474 -1.632) 2.199 3.709 ( 0.000 4.577 -1.960) 4.979 3.753 ( 0.000 3.821 7.089) 8.053 3.828 ( 0.000 -1.973 -3.463) 3.985 4.041 ( 0.000 -2.658 -2.548) 3.682 4.172 ( 0.000 -12.784 1.922) 12.928 4.203 ( 0.000 -0.874 -1.611) 1.833 4.223 ( 0.000 -3.673 2.150) 4.256 4.273 ( 0.000 8.509 1.325) 8.612 4.495 ( 0.000 -1.118 -1.968) 2.263 4.601 ( 0.000 8.408 -1.368) 8.518 4.629 ( 0.000 2.897 -3.529) 4.566 4.713 ( 0.000 2.128 -3.520) 4.113 4.830 ( 0.000 -2.786 1.049) 2.977 7.108 ( 0.000 4.261 -0.228) 4.267 7.199 ( 0.000 0.090 -2.143) 2.145 7.231 ( 0.000 -1.373 -0.843) 1.611 7.341 ( 0.000 -5.569 -1.158) 5.688 7.370 ( 0.000 4.548 0.705) 4.602 7.489 ( 0.000 0.910 1.205) 1.510 7.533 ( 0.000 -0.365 1.188) 1.242 7.707 ( 0.000 -9.574 5.922) 11.258 10.305 ( 0.000 3.912 1.052) 4.051 10.536 ( 0.000 -5.577 -2.844) 6.261 10.875 ( 0.000 -0.039 3.852) 3.852 10.881 ( 0.000 -0.365 2.834) 2.857 11.108 ( 0.000 3.020 4.903) 5.758 11.255 ( 0.000 -2.813 2.170) 3.553 11.571 ( 0.000 5.883 -2.385) 6.348 11.824 ( 0.000 -4.570 -4.800) 6.628 11.972 ( 0.000 5.058 -3.256) 6.016 12.109 ( 0.000 -0.098 -2.937) 2.939 12.396 ( 0.000 2.908 4.333) 5.218 12.553 ( 0.000 -3.529 2.566) 4.363 12.833 ( 0.000 1.307 1.205) 1.778 12.919 ( 0.000 3.558 1.156) 3.741 12.952 ( 0.000 -3.558 -0.146) 3.561 13.100 ( 0.000 -5.354 4.176) 6.790 13.195 ( 0.000 3.550 0.625) 3.605 13.455 ( 0.000 -6.454 -1.754) 6.688 13.544 ( 0.000 8.799 -5.051) 10.146 13.768 ( 0.000 2.789 1.912) 3.381 13.812 ( 0.000 3.524 4.017) 5.344 13.837 ( 0.000 -4.317 -4.790) 6.449 13.889 ( 0.000 -1.749 0.742) 1.900 13.946 ( 0.000 0.348 -2.170) 2.198 14.014 ( 0.000 2.396 -1.578) 2.869 14.072 ( 0.000 2.201 -3.056) 3.766 14.101 ( 0.000 -2.940 -6.488) 7.123 14.257 ( 0.000 -3.002 -1.060) 3.184 14.292 ( 0.000 0.486 2.763) 2.806 14.363 ( 0.000 -1.647 7.414) 7.595 14.530 ( 0.000 -2.351 4.133) 4.755 14.560 ( 0.000 -1.329 -4.704) 4.888 15.174 ( 0.000 3.305 0.757) 3.391 15.214 ( 0.000 0.247 1.484) 1.505 15.359 ( 0.000 0.232 3.082) 3.091 15.368 ( 0.000 -2.352 1.593) 2.841 15.543 ( 0.000 9.990 -0.838) 10.025 15.932 ( 0.000 -6.223 -1.671) 6.444 16.189 ( 0.000 2.839 -6.605) 7.189 16.227 ( 0.000 -0.195 -5.458) 5.461 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.12 0.25 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 6.041 8.678 2.355) 10.833 0.420 ( 6.121 7.906 5.494) 11.408 0.657 ( 3.295 -4.282 2.547) 5.973 0.776 ( 3.894 1.563 -4.400) 6.080 0.800 ( 2.055 -5.442 2.421) 6.301 0.845 ( 4.038 -3.281 -1.822) 5.512 0.947 ( 2.706 3.963 6.688) 8.231 0.993 ( -2.065 1.498 -1.421) 2.920 1.049 ( 3.007 4.214 -0.477) 5.199 1.140 ( 1.606 -0.350 -1.523) 2.241 1.189 ( 2.388 -0.910 -3.191) 4.088 1.237 ( 1.826 1.756 -2.194) 3.351 1.279 ( -0.381 1.901 -2.290) 3.001 1.340 ( 0.068 -2.387 -2.433) 3.409 1.392 ( 0.159 -2.690 0.400) 2.724 1.412 ( -1.071 -0.274 2.516) 2.748 1.436 ( 0.206 1.715 3.648) 4.037 1.477 ( -1.537 1.055 -0.462) 1.920 1.489 ( -0.764 1.095 2.060) 2.455 1.536 ( 2.617 1.498 0.993) 3.175 1.553 ( 2.168 -0.642 1.249) 2.583 1.571 ( 1.370 -1.238 2.805) 3.358 1.610 ( 0.845 0.301 0.140) 0.907 1.638 ( -2.234 -0.092 -1.632) 2.768 1.699 ( -0.753 -0.919 -3.636) 3.825 1.745 ( -1.976 3.634 0.235) 4.143 1.756 ( -2.303 -2.976 -3.596) 5.205 1.807 ( 0.956 0.348 0.640) 1.202 1.823 ( 1.836 0.284 -0.446) 1.911 1.860 ( 0.208 -1.712 -0.244) 1.742 1.874 ( -0.046 -0.065 -2.419) 2.420 1.885 ( -0.772 -0.802 -4.641) 4.772 1.908 ( -1.391 -0.489 -1.219) 1.913 1.945 ( -3.242 0.480 -0.724) 3.356 1.967 ( 0.424 -0.412 -0.018) 0.592 1.987 ( -2.301 -2.257 0.521) 3.265 2.018 ( -2.573 0.173 0.032) 2.579 2.054 ( -0.179 -1.140 -0.017) 1.154 2.089 ( 1.579 1.327 -1.282) 2.428 2.102 ( 0.616 1.871 -1.208) 2.311 2.137 ( -1.340 3.631 2.671) 4.703 2.174 ( -0.645 -0.072 2.884) 2.956 2.200 ( -0.822 1.747 0.943) 2.149 2.213 ( -1.065 -0.272 3.278) 3.457 2.260 ( 0.425 0.004 1.797) 1.847 2.280 ( 0.766 -0.548 1.039) 1.403 2.326 ( 1.995 1.321 1.731) 2.953 2.361 ( 1.748 0.458 -0.183) 1.816 2.386 ( -0.609 1.780 -0.165) 1.889 2.393 ( -0.944 -1.774 1.027) 2.257 2.451 ( 0.196 -2.989 -0.659) 3.067 2.524 ( 0.475 -2.002 -0.773) 2.198 2.537 ( -2.171 1.720 0.422) 2.802 2.629 ( -1.636 -0.634 1.728) 2.463 2.679 ( -1.440 0.960 -1.388) 2.219 2.705 ( -0.494 0.104 -0.162) 0.530 2.743 ( -1.260 0.569 2.163) 2.567 2.766 ( -0.552 -0.545 -0.283) 0.826 2.803 ( -1.908 0.808 -2.123) 2.966 2.852 ( 1.063 -2.346 2.788) 3.795 2.907 ( 0.647 -1.285 -2.131) 2.571 2.958 ( -3.744 -4.698 -0.959) 6.084 3.052 ( -3.337 2.101 4.366) 5.883 3.112 ( 2.525 -0.979 -2.162) 3.465 3.146 ( 1.040 4.296 -1.026) 4.537 3.286 ( 4.489 -4.939 0.968) 6.744 3.384 ( -4.225 -2.256 0.481) 4.814 3.461 ( -1.799 -1.241 -2.198) 3.100 3.537 ( 0.157 1.734 -1.470) 2.279 3.579 ( 0.824 0.309 -1.274) 1.549 3.638 ( 2.714 3.194 -0.596) 4.233 3.709 ( -0.268 5.936 -0.133) 5.943 3.774 ( 1.917 3.524 5.737) 7.000 3.836 ( 1.202 -3.596 -3.932) 5.462 4.022 ( -1.435 -3.042 -1.249) 3.588 4.161 ( -0.576 -5.292 1.562) 5.547 4.185 ( -1.617 -0.829 -1.361) 2.271 4.263 ( 3.031 -6.992 1.810) 7.833 4.293 ( 1.841 6.788 -0.034) 7.033 4.474 ( -1.993 -0.116 -2.524) 3.218 4.583 ( -1.933 7.597 -1.537) 7.988 4.607 ( -2.532 3.520 -1.076) 4.468 4.658 ( -2.290 1.979 0.725) 3.112 4.840 ( -0.688 -3.602 -0.978) 3.795 7.128 ( 2.178 3.525 -0.300) 4.155 7.232 ( 0.680 -0.815 0.684) 1.263 7.272 ( 3.274 -2.343 -3.916) 5.616 7.348 ( 0.683 -3.976 -0.408) 4.055 7.414 ( 4.028 2.025 -2.495) 5.153 7.502 ( 1.364 1.993 0.756) 2.531 7.543 ( 1.194 -1.269 1.178) 2.104 7.722 ( 1.057 -7.891 3.848) 8.842 10.313 ( 0.746 3.713 1.038) 3.926 10.534 ( -0.139 -5.369 -2.998) 6.151 10.817 ( -4.750 0.100 3.236) 5.748 10.820 ( -5.804 0.076 2.495) 6.318 11.178 ( 5.935 1.712 4.411) 7.590 11.281 ( 1.864 -2.232 1.863) 3.453 11.518 ( -4.835 6.144 -1.991) 8.068 11.780 ( -4.172 -5.411 -4.898) 8.407 11.984 ( 1.486 5.317 -1.987) 5.867 12.114 ( 0.861 -0.235 -3.186) 3.309 12.375 ( -1.542 2.141 4.242) 4.996 12.493 ( -4.344 -2.551 3.942) 6.396 12.888 ( 4.886 0.664 0.660) 4.975 12.926 ( -0.173 1.835 0.421) 1.891 12.999 ( 3.312 -0.827 1.247) 3.635 13.147 ( 3.072 -6.632 2.274) 7.654 13.206 ( 1.797 4.038 0.707) 4.476 13.445 ( -0.874 -5.199 -1.069) 5.379 13.588 ( 1.054 5.657 -6.453) 8.646 13.774 ( 1.092 -0.218 0.266) 1.145 13.822 ( 0.297 -1.872 -1.123) 2.203 13.850 ( 2.535 1.952 2.614) 4.131 13.904 ( 1.453 -1.602 0.466) 2.212 13.957 ( 1.403 0.387 -3.128) 3.450 14.013 ( -0.481 0.783 -2.420) 2.589 14.044 ( -2.656 0.372 -5.204) 5.854 14.119 ( 1.853 -1.129 -3.468) 4.091 14.256 ( -0.340 -4.061 0.382) 4.093 14.271 ( -1.660 0.973 1.001) 2.169 14.342 ( -2.130 -1.753 7.181) 7.693 14.461 ( -5.029 0.458 3.672) 6.243 14.552 ( -2.151 -2.680 -4.823) 5.923 15.191 ( 1.694 2.384 0.491) 2.966 15.222 ( 0.793 0.465 0.720) 1.167 15.349 ( -0.107 -0.258 2.626) 2.641 15.401 ( 2.347 -1.419 1.936) 3.357 15.540 ( -0.193 9.268 -1.004) 9.324 15.910 ( -2.301 -5.919 -2.044) 6.671 15.998 ( -13.886 9.764 2.842) 17.212 16.173 ( -5.343 -1.011 -4.455) 7.030 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.25 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 8.488 4.605 -1.581) 9.785 0.556 ( 7.958 5.431 1.432) 9.741 0.712 ( 2.168 -3.737 -3.312) 5.444 0.840 ( 2.251 -1.922 -3.647) 4.697 0.861 ( 4.291 -1.242 -0.235) 4.474 0.898 ( 1.353 -1.544 -2.975) 3.615 0.971 ( 0.809 0.841 -1.279) 1.731 1.001 ( 2.888 -0.112 1.244) 3.147 1.112 ( 2.594 1.750 0.499) 3.168 1.159 ( -0.619 0.506 -3.218) 3.316 1.206 ( 1.920 -0.377 -2.278) 3.003 1.270 ( 0.574 -1.895 -0.221) 1.992 1.314 ( -2.078 -4.027 -0.468) 4.556 1.344 ( -3.825 -0.697 0.019) 3.888 1.371 ( 0.193 -0.722 0.317) 0.812 1.380 ( 1.676 3.191 -1.707) 3.988 1.444 ( 2.453 0.202 -1.760) 3.026 1.483 ( -0.496 1.976 1.602) 2.592 1.512 ( 3.145 -1.286 -3.782) 5.084 1.572 ( 1.245 3.501 -1.905) 4.176 1.579 ( 1.084 2.893 -1.485) 3.428 1.592 ( 1.652 -0.784 1.617) 2.441 1.622 ( -1.165 0.388 -2.974) 3.217 1.635 ( 1.984 0.097 3.143) 3.718 1.691 ( 0.159 -1.669 0.292) 1.702 1.698 ( -2.091 1.391 -3.045) 3.947 1.712 ( -2.024 0.530 -1.395) 2.515 1.800 ( -4.050 -0.310 -0.867) 4.154 1.809 ( -0.982 0.756 -1.674) 2.083 1.818 ( -3.369 1.724 -0.907) 3.892 1.851 ( -2.856 -0.381 -2.628) 3.900 1.873 ( -2.625 -0.762 -0.718) 2.827 1.878 ( -1.071 0.169 0.611) 1.245 1.918 ( 1.953 -1.659 -2.441) 3.539 1.943 ( -0.969 -0.053 1.854) 2.092 1.989 ( 1.247 -3.135 -0.625) 3.431 2.009 ( 2.265 -1.030 2.794) 3.741 2.054 ( 0.347 -0.778 0.863) 1.213 2.100 ( -1.353 0.798 -0.045) 1.572 2.110 ( 1.020 1.263 0.494) 1.697 2.117 ( -0.851 1.354 1.431) 2.147 2.160 ( -0.625 -0.397 2.676) 2.776 2.198 ( 0.697 2.373 0.897) 2.631 2.219 ( 0.391 -0.335 2.858) 2.904 2.257 ( -0.965 1.115 0.504) 1.559 2.289 ( 1.752 -0.739 3.443) 3.933 2.314 ( -2.307 0.405 -2.592) 3.493 2.361 ( -1.586 -3.244 -0.948) 3.733 2.387 ( 0.225 1.375 -0.561) 1.502 2.424 ( 1.540 1.331 2.075) 2.907 2.447 ( 1.416 1.181 4.397) 4.768 2.486 ( -1.289 0.567 1.509) 2.064 2.556 ( 0.230 3.242 -0.578) 3.301 2.616 ( -3.972 -1.581 -0.020) 4.275 2.617 ( 0.406 -2.550 3.828) 4.617 2.695 ( -0.831 0.622 1.619) 1.923 2.723 ( -0.874 2.418 4.414) 5.109 2.745 ( -1.640 -0.153 1.483) 2.216 2.771 ( -0.889 0.609 -2.571) 2.788 2.857 ( -0.589 -3.137 1.616) 3.578 2.874 ( -3.587 -2.287 0.643) 4.302 2.942 ( 2.290 0.130 0.364) 2.322 2.989 ( -3.180 1.861 1.491) 3.975 3.166 ( 2.696 1.144 -5.852) 6.544 3.204 ( 4.272 1.529 -3.135) 5.515 3.308 ( -3.211 -6.398 3.977) 8.189 3.360 ( 2.829 -2.961 -1.193) 4.266 3.431 ( -0.504 -1.925 -0.858) 2.167 3.530 ( -1.063 -0.141 -2.585) 2.799 3.572 ( -1.084 -1.213 -0.930) 1.874 3.629 ( -4.647 2.447 -1.146) 5.376 3.740 ( 3.584 6.863 1.853) 7.961 3.822 ( 2.906 2.900 3.895) 5.659 3.873 ( 2.371 -4.898 -4.717) 7.202 3.998 ( -1.008 -0.571 0.434) 1.237 4.141 ( -2.450 -1.539 -1.396) 3.213 4.163 ( 0.710 -1.362 1.624) 2.235 4.305 ( 0.880 5.041 -0.917) 5.198 4.351 ( 4.324 -6.630 0.505) 7.931 4.429 ( -2.435 2.786 -4.307) 5.679 4.531 ( -3.038 4.888 0.022) 5.755 4.560 ( -2.083 2.326 2.046) 3.733 4.628 ( -1.361 2.140 0.030) 2.537 4.798 ( -3.386 -4.073 -1.148) 5.420 7.181 ( 2.975 2.147 -0.692) 3.734 7.250 ( 1.241 0.180 1.153) 1.704 7.305 ( 0.763 -2.225 -2.288) 3.282 7.359 ( 0.211 -1.613 0.183) 1.637 7.474 ( 2.135 0.799 -1.788) 2.898 7.541 ( 2.247 2.128 -0.906) 3.224 7.576 ( 1.988 -2.453 1.209) 3.381 7.731 ( -0.215 -4.437 2.915) 5.313 10.335 ( 1.577 3.349 0.752) 3.777 10.531 ( -0.246 -4.296 -3.396) 5.482 10.691 ( -6.821 -0.000 2.084) 7.132 10.725 ( -4.485 -0.676 1.532) 4.787 11.277 ( 1.551 2.215 -0.504) 2.751 11.300 ( 0.976 0.689 2.069) 2.389 11.430 ( -2.559 3.546 1.482) 4.617 11.693 ( -4.314 -6.413 -2.890) 8.251 12.032 ( 3.549 4.715 -0.394) 5.914 12.149 ( 2.772 -0.630 -2.861) 4.033 12.349 ( -1.090 1.170 3.183) 3.562 12.420 ( -3.521 -1.190 3.659) 5.216 12.908 ( -0.936 1.868 1.131) 2.376 12.973 ( 2.586 -1.132 -0.843) 2.946 13.046 ( 1.444 -0.173 1.386) 2.009 13.173 ( 0.072 -5.825 -0.849) 5.887 13.268 ( 3.704 1.143 1.592) 4.190 13.427 ( -0.802 -2.665 -0.159) 2.787 13.569 ( -0.736 8.852 -2.568) 9.247 13.795 ( -1.514 -3.295 -0.231) 3.634 13.824 ( 0.999 1.261 1.460) 2.172 13.906 ( 3.097 1.855 3.604) 5.101 13.950 ( 2.809 -1.721 1.296) 3.540 13.980 ( -1.412 -0.501 -5.188) 5.400 13.994 ( -1.399 -0.657 -5.869) 6.069 14.009 ( 2.307 -0.418 -5.910) 6.358 14.150 ( 0.380 -1.235 -0.317) 1.330 14.226 ( -2.028 -3.724 1.205) 4.408 14.251 ( -1.145 -0.475 -0.042) 1.241 14.302 ( -1.238 -1.298 5.730) 6.004 14.376 ( -3.514 1.735 2.008) 4.403 14.479 ( -5.046 -3.109 -4.641) 7.528 15.230 ( 1.535 -0.243 -0.690) 1.700 15.249 ( 2.692 0.908 -0.794) 2.950 15.355 ( 0.661 1.275 3.161) 3.472 15.444 ( 1.808 -0.479 0.968) 2.105 15.547 ( 1.322 5.933 -0.642) 6.112 15.786 ( -7.803 9.508 6.062) 13.713 15.850 ( -3.938 -4.024 -2.057) 5.994 16.040 ( -7.988 -1.839 -2.079) 8.456 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.38 0.25 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 6.475 2.005 -4.976) 8.409 0.711 ( 7.767 2.462 -0.623) 8.172 0.752 ( 1.974 -0.600 -5.975) 6.322 0.864 ( 0.691 -2.294 -5.943) 6.408 0.887 ( -0.703 0.256 -0.575) 0.943 0.960 ( 3.565 3.601 -5.151) 7.226 1.012 ( 3.599 -4.668 0.941) 5.969 1.053 ( 2.338 1.250 0.280) 2.666 1.121 ( -3.019 0.428 -2.057) 3.678 1.171 ( 3.686 1.323 -2.087) 4.438 1.221 ( -5.095 -1.149 0.032) 5.223 1.234 ( -5.456 0.703 1.539) 5.712 1.276 ( 3.797 -1.128 -3.281) 5.143 1.307 ( -1.111 -1.795 -3.933) 4.464 1.342 ( 2.727 -1.176 -2.548) 3.913 1.422 ( -0.182 -0.880 -4.304) 4.396 1.451 ( -1.345 0.208 -0.392) 1.416 1.497 ( 1.165 -0.397 -4.218) 4.394 1.518 ( -1.331 -0.440 -3.589) 3.853 1.562 ( -3.067 -0.249 -2.579) 4.015 1.572 ( -2.433 0.005 -3.090) 3.933 1.599 ( 0.515 -0.812 -1.941) 2.166 1.622 ( -0.033 0.648 0.246) 0.694 1.647 ( -1.279 0.127 0.356) 1.333 1.668 ( -1.811 -0.208 -1.291) 2.234 1.698 ( -2.193 -0.198 -0.646) 2.295 1.708 ( 0.532 1.357 1.153) 1.859 1.757 ( -1.957 1.809 0.458) 2.704 1.767 ( 1.326 0.823 -0.689) 1.706 1.799 ( 0.387 2.761 -1.607) 3.218 1.805 ( 2.555 0.825 -0.468) 2.725 1.826 ( -2.206 0.144 -0.481) 2.263 1.870 ( 0.657 -0.464 -2.952) 3.059 1.940 ( 0.058 -0.709 0.643) 0.959 1.981 ( -0.428 -2.739 0.605) 2.837 2.007 ( 3.520 -0.955 4.876) 6.089 2.052 ( 0.878 0.758 0.437) 1.239 2.063 ( -0.120 0.154 0.547) 0.581 2.075 ( -0.500 0.666 3.407) 3.507 2.106 ( 1.340 -0.163 1.259) 1.846 2.143 ( -1.010 0.638 1.591) 1.989 2.145 ( 2.520 0.520 -0.316) 2.592 2.195 ( -0.956 -0.255 -0.221) 1.013 2.208 ( -0.517 0.957 -0.678) 1.282 2.244 ( -4.022 -0.878 -2.832) 4.996 2.277 ( 1.481 -0.599 2.523) 2.987 2.332 ( 1.128 -1.446 0.864) 2.028 2.354 ( 1.044 1.161 3.030) 3.409 2.383 ( 0.427 0.688 3.399) 3.494 2.418 ( -0.926 -0.979 1.867) 2.302 2.470 ( -0.965 0.514 4.726) 4.850 2.491 ( 0.600 1.532 3.450) 3.823 2.536 ( -1.956 1.302 1.457) 2.765 2.571 ( 0.763 1.910 2.708) 3.400 2.613 ( -1.100 1.166 4.223) 4.517 2.668 ( -2.025 2.468 1.794) 3.661 2.697 ( -1.263 0.565 4.120) 4.346 2.744 ( 1.024 -2.624 3.462) 4.463 2.760 ( -0.370 1.146 -2.774) 3.024 2.815 ( -1.727 -3.743 2.496) 4.819 2.860 ( 0.200 -0.703 -1.020) 1.255 2.916 ( -2.931 3.375 -0.969) 4.574 3.022 ( 4.870 -1.857 0.643) 5.252 3.186 ( -0.818 1.589 1.487) 2.325 3.271 ( 0.229 -5.328 -1.902) 5.662 3.294 ( 4.436 -0.133 -3.241) 5.496 3.393 ( 1.752 -0.688 -2.417) 3.063 3.445 ( -0.858 -2.348 -0.815) 2.629 3.489 ( -6.394 1.486 -1.828) 6.815 3.517 ( -2.248 0.357 -1.034) 2.500 3.568 ( 1.851 -3.152 0.491) 3.688 3.770 ( -1.592 -2.086 0.805) 2.745 3.876 ( 2.749 2.066 1.426) 3.723 3.925 ( 2.543 1.914 -2.310) 3.933 3.987 ( 0.099 -0.357 -0.687) 0.781 4.092 ( -2.456 -0.582 -1.494) 2.933 4.198 ( 2.687 0.046 1.601) 3.128 4.302 ( -1.269 5.544 -0.881) 5.756 4.377 ( -1.774 3.111 -4.359) 5.641 4.449 ( 4.244 -4.963 -0.289) 6.537 4.473 ( -2.655 4.430 0.304) 5.174 4.533 ( -0.683 0.637 2.766) 2.919 4.608 ( -0.440 0.772 -0.513) 1.026 4.720 ( -4.613 -4.259 -1.244) 6.401 7.233 ( 2.344 0.778 -0.847) 2.611 7.276 ( 1.323 0.427 1.095) 1.770 7.313 ( 0.223 -1.683 -1.783) 2.462 7.351 ( -0.995 -0.081 -0.443) 1.092 7.510 ( 1.755 1.073 -0.979) 2.278 7.568 ( 0.442 2.396 -0.216) 2.446 7.610 ( 1.358 -3.529 1.853) 4.211 7.721 ( -0.552 -2.103 4.120) 4.659 10.375 ( 2.627 2.845 0.026) 3.873 10.512 ( -2.616 0.447 -2.595) 3.712 10.590 ( -2.712 -3.646 0.147) 4.547 10.653 ( -2.973 -2.341 -0.110) 3.785 11.251 ( -1.996 5.232 -2.213) 6.021 11.278 ( -2.497 6.601 -1.360) 7.188 11.468 ( 4.403 -3.801 5.177) 7.787 11.619 ( -3.583 -6.911 0.593) 7.807 12.116 ( 5.089 3.757 0.913) 6.391 12.213 ( 3.584 -0.591 -1.683) 4.003 12.323 ( -2.588 0.483 1.884) 3.238 12.347 ( -3.587 0.472 2.361) 4.320 12.909 ( 0.916 -0.352 -0.405) 1.061 12.977 ( -1.019 -3.990 -2.807) 4.984 13.051 ( -0.850 0.793 0.769) 1.393 13.146 ( -2.155 -2.963 2.514) 4.443 13.359 ( 5.040 1.722 -1.178) 5.454 13.442 ( 3.214 0.620 0.738) 3.356 13.561 ( -1.077 6.667 1.825) 6.996 13.718 ( -6.038 -0.330 0.528) 6.070 13.846 ( 1.634 1.045 -0.737) 2.075 13.930 ( -1.761 -0.191 -3.474) 3.899 13.941 ( -0.516 -1.661 -0.268) 1.760 14.003 ( 2.735 0.772 -1.716) 3.320 14.040 ( 4.382 -3.497 -1.005) 5.695 14.052 ( 1.802 -0.610 -3.496) 3.980 14.121 ( -2.178 0.057 -0.709) 2.291 14.197 ( -1.337 -3.378 0.330) 3.648 14.239 ( -0.041 0.741 0.084) 0.747 14.295 ( 0.207 -0.651 4.066) 4.123 14.316 ( -3.134 1.469 1.433) 3.746 14.383 ( -4.344 -3.270 -2.457) 5.967 15.247 ( 0.510 -0.450 -2.391) 2.486 15.314 ( 3.247 -2.128 -1.963) 4.350 15.368 ( 0.524 3.829 3.316) 5.092 15.472 ( 1.655 0.830 0.805) 2.019 15.598 ( 3.631 0.199 0.180) 3.641 15.681 ( -3.651 5.223 2.281) 6.768 15.771 ( -3.957 -0.614 -0.703) 4.066 15.887 ( -7.527 -0.824 0.880) 7.623 ======================= Grid point 58 (25/60) ======================= q-point: (-0.50 0.25 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.731 ( 0.000 0.678 -8.004) 8.033 0.772 ( 0.000 2.705 -5.029) 5.710 0.820 ( 0.000 0.695 -1.059) 1.266 0.846 ( -0.000 3.128 -0.804) 3.229 0.881 ( 0.000 -5.312 -8.147) 9.726 1.026 ( 0.000 -4.504 -3.542) 5.729 1.039 ( -0.000 3.205 2.055) 3.807 1.080 ( 0.000 0.844 -2.573) 2.708 1.104 ( 0.000 0.854 -0.559) 1.021 1.138 ( 0.000 -0.618 -3.272) 3.330 1.143 ( 0.000 2.796 1.549) 3.196 1.233 ( 0.000 0.540 0.310) 0.622 1.277 ( 0.000 0.041 -8.708) 8.708 1.356 ( 0.000 0.995 -5.681) 5.768 1.380 ( -0.000 -4.608 -6.385) 7.875 1.395 ( -0.000 -3.310 -4.520) 5.602 1.444 ( 0.000 -1.776 1.774) 2.510 1.502 ( 0.000 -0.041 -1.930) 1.931 1.510 ( -0.000 -0.496 -1.420) 1.505 1.515 ( 0.000 -0.997 -0.888) 1.335 1.534 ( 0.000 1.885 -2.452) 3.093 1.593 ( 0.000 -0.242 -2.708) 2.719 1.621 ( -0.000 -1.929 0.357) 1.962 1.621 ( 0.000 0.398 -0.804) 0.897 1.651 ( 0.000 0.805 1.505) 1.707 1.676 ( 0.000 3.188 -1.099) 3.372 1.708 ( 0.000 -0.812 -1.294) 1.528 1.741 ( 0.000 3.081 2.801) 4.164 1.782 ( 0.000 -1.292 -0.666) 1.454 1.787 ( -0.000 2.238 0.948) 2.431 1.835 ( -0.000 1.237 -4.894) 5.048 1.843 ( 0.000 -1.598 -0.845) 1.808 1.901 ( 0.000 -2.000 -2.663) 3.330 1.941 ( 0.000 1.666 3.111) 3.529 1.953 ( 0.000 -1.712 -1.986) 2.622 2.002 ( 0.000 1.130 0.396) 1.197 2.058 ( 0.000 -0.514 2.510) 2.562 2.071 ( 0.000 0.577 1.489) 1.596 2.117 ( 0.000 1.263 1.604) 2.041 2.131 ( 0.000 0.046 0.239) 0.243 2.148 ( 0.000 1.464 3.174) 3.496 2.160 ( 0.000 -0.306 -1.034) 1.079 2.178 ( 0.000 -0.091 0.548) 0.556 2.186 ( 0.000 -1.036 2.669) 2.863 2.206 ( 0.000 -0.363 -3.227) 3.248 2.289 ( 0.000 -2.160 -1.242) 2.492 2.340 ( 0.000 1.629 2.054) 2.622 2.368 ( 0.000 2.257 5.812) 6.235 2.390 ( 0.000 -1.716 3.947) 4.304 2.426 ( 0.000 -2.258 3.133) 3.862 2.436 ( 0.000 -1.103 4.850) 4.974 2.480 ( 0.000 0.104 3.607) 3.609 2.532 ( 0.000 2.094 3.073) 3.719 2.586 ( 0.000 3.226 2.797) 4.270 2.599 ( 0.000 3.210 4.133) 5.233 2.643 ( 0.000 2.834 3.380) 4.411 2.682 ( 0.000 -0.342 3.452) 3.469 2.753 ( 0.000 0.161 -1.131) 1.142 2.767 ( 0.000 -1.931 4.056) 4.493 2.795 ( 0.000 -1.203 0.564) 1.328 2.858 ( 0.000 -0.747 -3.442) 3.522 2.888 ( 0.000 1.348 -2.438) 2.786 3.097 ( 0.000 -2.414 3.867) 4.559 3.156 ( 0.000 -5.412 3.547) 6.470 3.329 ( 0.000 6.324 -0.483) 6.342 3.337 ( -0.000 2.320 -2.916) 3.726 3.365 ( 0.000 -1.377 -4.356) 4.568 3.407 ( 0.000 -0.762 -1.351) 1.551 3.426 ( 0.000 -2.619 -3.296) 4.210 3.497 ( 0.000 1.209 -1.145) 1.665 3.631 ( 0.000 -7.309 -1.341) 7.431 3.717 ( -0.000 -5.205 3.159) 6.088 3.911 ( 0.000 2.649 -0.171) 2.654 3.943 ( 0.000 5.088 0.974) 5.181 4.001 ( 0.000 -2.944 -4.120) 5.064 4.061 ( 0.000 -0.046 -1.177) 1.178 4.249 ( 0.000 6.278 0.488) 6.297 4.263 ( -0.000 0.007 0.662) 0.662 4.360 ( 0.000 4.462 -4.351) 6.233 4.438 ( 0.000 4.354 -0.077) 4.354 4.502 ( 0.000 -1.564 1.251) 2.003 4.531 ( 0.000 -1.184 2.038) 2.357 4.627 ( -0.000 -3.203 -1.313) 3.461 4.642 ( 0.000 -2.721 -1.251) 2.994 7.260 ( 0.000 -0.252 -0.598) 0.649 7.289 ( 0.000 0.199 0.741) 0.767 7.318 ( 0.000 -1.330 -1.800) 2.238 7.334 ( 0.000 1.137 -0.804) 1.392 7.532 ( 0.000 0.128 -1.999) 2.003 7.567 ( 0.000 3.624 1.680) 3.994 7.623 ( 0.000 -4.057 2.240) 4.634 7.715 ( 0.000 -1.341 4.726) 4.912 10.424 ( -0.000 1.940 -1.325) 2.349 10.453 ( 0.000 3.231 0.022) 3.231 10.576 ( 0.000 -4.774 -2.564) 5.419 10.621 ( 0.000 -3.675 -0.284) 3.686 11.229 ( 0.000 6.821 -2.423) 7.239 11.251 ( 0.000 7.004 -1.211) 7.108 11.545 ( 0.000 -6.216 3.621) 7.193 11.553 ( -0.000 -5.894 3.203) 6.708 12.215 ( -0.000 2.022 0.771) 2.164 12.224 ( 0.000 2.922 1.811) 3.438 12.281 ( 0.000 -0.698 -0.268) 0.748 12.306 ( 0.000 -0.042 1.420) 1.420 12.917 ( 0.000 -2.992 -3.962) 4.964 12.974 ( 0.000 -4.814 -2.672) 5.506 13.034 ( 0.000 2.428 2.151) 3.244 13.121 ( 0.000 -0.609 4.131) 4.176 13.410 ( 0.000 1.923 -3.246) 3.773 13.525 ( -0.000 6.816 3.158) 7.512 13.542 ( 0.000 -2.094 -0.427) 2.137 13.611 ( 0.000 2.584 3.434) 4.297 13.882 ( 0.000 0.848 -1.781) 1.972 13.896 ( -0.000 -0.016 -2.720) 2.720 13.932 ( 0.000 -3.361 -2.256) 4.048 14.037 ( 0.000 -0.877 -4.700) 4.781 14.074 ( -0.000 0.666 -1.096) 1.283 14.076 ( 0.000 -0.185 1.770) 1.779 14.123 ( 0.000 -4.159 -1.931) 4.586 14.170 ( 0.000 -2.501 0.237) 2.512 14.240 ( 0.000 2.058 -0.100) 2.060 14.269 ( 0.000 2.533 0.823) 2.663 14.319 ( -0.000 -1.891 0.891) 2.090 14.323 ( 0.000 -1.942 2.611) 3.254 15.252 ( 0.000 -0.586 -2.935) 2.993 15.349 ( 0.000 -3.324 -2.796) 4.344 15.372 ( 0.000 4.670 3.205) 5.664 15.503 ( 0.000 0.883 3.373) 3.486 15.623 ( 0.000 -0.986 -4.187) 4.302 15.669 ( 0.000 -2.786 -1.231) 3.046 15.725 ( 0.000 4.149 2.583) 4.888 15.793 ( 0.000 1.910 3.509) 3.996 ======================= Grid point 63 (26/60) ======================= q-point: ( 0.00 -0.50 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 0.000 -7.836 6.297) 10.053 0.494 ( 0.000 7.836 6.297) 10.053 0.570 ( 0.000 -12.966 2.221) 13.155 0.570 ( 0.000 12.966 2.221) 13.155 0.775 ( 0.000 -1.340 -6.396) 6.535 0.775 ( 0.000 1.340 -6.396) 6.535 1.067 ( 0.000 -0.174 2.213) 2.220 1.067 ( 0.000 0.174 2.213) 2.220 1.093 ( 0.000 -2.021 -6.253) 6.572 1.093 ( 0.000 2.021 -6.253) 6.572 1.147 ( 0.000 -6.312 1.688) 6.534 1.147 ( 0.000 6.312 1.688) 6.534 1.310 ( 0.000 -2.896 3.443) 4.499 1.310 ( 0.000 2.896 3.443) 4.499 1.407 ( 0.000 -4.981 0.197) 4.985 1.407 ( 0.000 4.981 0.197) 4.985 1.442 ( 0.000 -2.696 -0.454) 2.734 1.442 ( 0.000 2.696 -0.454) 2.734 1.529 ( 0.000 -1.767 2.263) 2.871 1.529 ( 0.000 1.767 2.263) 2.871 1.542 ( 0.000 -2.444 2.727) 3.662 1.542 ( 0.000 2.444 2.727) 3.662 1.634 ( 0.000 -3.656 -0.595) 3.704 1.634 ( 0.000 3.656 -0.595) 3.704 1.729 ( 0.000 -2.318 1.103) 2.567 1.729 ( 0.000 2.318 1.103) 2.567 1.791 ( 0.000 -0.978 -5.367) 5.456 1.791 ( 0.000 0.978 -5.367) 5.456 1.837 ( 0.000 -2.280 -0.629) 2.365 1.837 ( 0.000 2.280 -0.629) 2.365 1.865 ( 0.000 -4.502 -1.543) 4.759 1.865 ( 0.000 4.502 -1.543) 4.759 1.923 ( 0.000 -2.087 -0.188) 2.096 1.923 ( 0.000 2.087 -0.188) 2.096 2.001 ( 0.000 -0.931 1.163) 1.490 2.001 ( 0.000 0.931 1.163) 1.490 2.052 ( 0.000 -0.190 -1.523) 1.534 2.052 ( 0.000 0.190 -1.523) 1.534 2.091 ( 0.000 -0.902 -2.620) 2.771 2.091 ( 0.000 0.902 -2.620) 2.771 2.179 ( 0.000 -2.333 0.718) 2.441 2.179 ( 0.000 2.333 0.718) 2.441 2.244 ( 0.000 -0.435 1.773) 1.825 2.244 ( 0.000 0.435 1.773) 1.825 2.252 ( 0.000 -0.470 3.052) 3.088 2.252 ( 0.000 0.470 3.052) 3.088 2.342 ( 0.000 -2.358 -1.419) 2.752 2.342 ( 0.000 2.358 -1.419) 2.752 2.368 ( 0.000 -2.080 0.956) 2.289 2.368 ( 0.000 2.080 0.956) 2.289 2.466 ( 0.000 -2.985 0.403) 3.012 2.466 ( 0.000 2.985 0.403) 3.012 2.628 ( 0.000 -3.064 3.255) 4.470 2.628 ( 0.000 3.064 3.255) 4.470 2.703 ( 0.000 -0.364 1.664) 1.703 2.703 ( 0.000 0.364 1.664) 1.703 2.737 ( 0.000 -0.317 -1.011) 1.060 2.737 ( 0.000 0.317 -1.011) 1.060 2.831 ( 0.000 -0.755 -4.519) 4.582 2.831 ( 0.000 0.755 -4.519) 4.582 2.908 ( 0.000 -2.321 1.234) 2.629 2.908 ( 0.000 2.321 1.234) 2.629 3.081 ( 0.000 -1.101 -0.125) 1.109 3.081 ( 0.000 1.101 -0.125) 1.109 3.219 ( 0.000 -1.835 5.380) 5.684 3.219 ( 0.000 1.835 5.380) 5.684 3.419 ( 0.000 -2.603 -3.627) 4.465 3.419 ( 0.000 2.603 -3.627) 4.465 3.563 ( 0.000 -1.337 -0.671) 1.495 3.563 ( 0.000 1.337 -0.671) 1.495 3.734 ( 0.000 -5.106 -3.388) 6.128 3.734 ( 0.000 5.106 -3.388) 6.128 3.818 ( 0.000 -0.732 0.178) 0.753 3.818 ( 0.000 0.732 0.178) 0.753 3.981 ( 0.000 -1.776 2.833) 3.344 3.981 ( 0.000 1.776 2.833) 3.344 4.189 ( 0.000 -0.208 -0.441) 0.487 4.189 ( 0.000 0.208 -0.441) 0.487 4.432 ( 0.000 -5.978 -1.867) 6.262 4.432 ( 0.000 5.978 -1.867) 6.262 4.683 ( 0.000 -2.252 -0.447) 2.296 4.683 ( 0.000 2.252 -0.447) 2.296 4.750 ( 0.000 -5.119 -2.033) 5.508 4.750 ( 0.000 5.119 -2.033) 5.508 7.200 ( 0.000 -1.250 -2.575) 2.862 7.200 ( 0.000 1.250 -2.575) 2.862 7.225 ( 0.000 -4.343 0.379) 4.359 7.225 ( 0.000 4.343 0.379) 4.359 7.449 ( 0.000 -3.443 0.542) 3.486 7.449 ( 0.000 3.443 0.542) 3.486 7.580 ( 0.000 -4.174 3.288) 5.314 7.580 ( 0.000 4.174 3.288) 5.314 10.411 ( 0.000 -6.426 -0.543) 6.449 10.411 ( 0.000 6.426 -0.543) 6.449 10.875 ( 0.000 -0.130 3.510) 3.512 10.875 ( 0.000 0.130 3.510) 3.512 11.182 ( 0.000 -4.113 3.412) 5.344 11.182 ( 0.000 4.113 3.412) 5.344 11.706 ( 0.000 -6.988 -4.123) 8.113 11.706 ( 0.000 6.988 -4.123) 8.113 12.070 ( 0.000 -3.940 -2.413) 4.621 12.070 ( 0.000 3.940 -2.413) 4.621 12.470 ( 0.000 -4.372 3.176) 5.404 12.470 ( 0.000 4.372 3.176) 5.404 12.879 ( 0.000 -3.368 1.623) 3.739 12.879 ( 0.000 3.368 1.623) 3.739 12.996 ( 0.000 -4.578 2.749) 5.340 12.996 ( 0.000 4.578 2.749) 5.340 13.310 ( 0.000 -7.370 -1.621) 7.546 13.310 ( 0.000 7.370 -1.621) 7.546 13.712 ( 0.000 -7.467 -5.307) 9.160 13.712 ( 0.000 7.467 -5.307) 9.160 13.835 ( 0.000 -2.693 1.588) 3.126 13.835 ( 0.000 2.693 1.588) 3.126 13.903 ( 0.000 -4.025 1.487) 4.291 13.903 ( 0.000 4.025 1.487) 4.291 14.050 ( 0.000 -1.929 -3.947) 4.393 14.050 ( 0.000 1.929 -3.947) 4.393 14.157 ( 0.000 -5.597 -0.207) 5.601 14.157 ( 0.000 5.597 -0.207) 5.601 14.324 ( 0.000 -2.100 4.705) 5.152 14.324 ( 0.000 2.100 4.705) 5.152 14.529 ( 0.000 -1.414 -1.153) 1.825 14.529 ( 0.000 1.414 -1.153) 1.825 15.228 ( 0.000 -0.605 -1.298) 1.433 15.228 ( 0.000 0.605 -1.298) 1.433 15.335 ( 0.000 -0.373 4.486) 4.502 15.335 ( 0.000 0.373 4.486) 4.502 15.760 ( 0.000 -10.744 -0.810) 10.775 15.760 ( 0.000 10.744 -0.810) 10.775 16.220 ( 0.000 -0.661 -6.704) 6.736 16.220 ( 0.000 0.661 -6.704) 6.736 ======================= Grid point 65 (27/60) ======================= q-point: ( 0.12 -0.50 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.530 ( 3.130 -6.775 2.492) 7.868 0.530 ( 3.130 6.775 2.492) 7.868 0.618 ( 4.680 -10.173 2.693) 11.517 0.618 ( 4.680 10.173 2.693) 11.517 0.806 ( 3.133 -1.498 -5.580) 6.573 0.806 ( 3.133 1.498 -5.580) 6.573 1.007 ( -2.699 -1.574 0.385) 3.148 1.007 ( -2.699 1.574 0.385) 3.148 1.109 ( 0.999 -2.891 -3.305) 4.503 1.109 ( 0.999 2.891 -3.305) 4.503 1.222 ( 4.205 -1.976 -0.594) 4.684 1.222 ( 4.205 1.976 -0.594) 4.684 1.299 ( -1.632 -2.945 1.775) 3.806 1.299 ( -1.632 2.945 1.775) 3.806 1.402 ( 1.429 -2.582 0.785) 3.054 1.402 ( 1.429 2.582 0.785) 3.054 1.458 ( 0.063 -1.877 -1.829) 2.621 1.458 ( 0.063 1.877 -1.829) 2.621 1.522 ( -0.185 -2.091 4.062) 4.573 1.522 ( -0.185 2.091 4.062) 4.573 1.579 ( 3.423 -1.273 2.128) 4.227 1.579 ( 3.423 1.273 2.128) 4.227 1.633 ( -0.383 -2.116 -0.968) 2.358 1.633 ( -0.383 2.116 -0.968) 2.358 1.697 ( -1.974 -2.810 -2.677) 4.354 1.697 ( -1.974 2.810 -2.677) 4.354 1.807 ( 0.395 -1.914 -1.195) 2.291 1.807 ( 0.395 1.914 -1.195) 2.291 1.827 ( -0.702 -0.922 -1.022) 1.545 1.827 ( -0.702 0.922 -1.022) 1.545 1.872 ( -0.019 -1.289 -2.682) 2.976 1.872 ( -0.019 1.289 -2.682) 2.976 1.927 ( 0.347 -2.234 -1.425) 2.673 1.927 ( 0.347 2.234 -1.425) 2.673 1.962 ( -3.156 -0.763 0.109) 3.249 1.962 ( -3.156 0.763 0.109) 3.249 2.019 ( -2.121 -0.701 0.652) 2.327 2.019 ( -2.121 0.701 0.652) 2.327 2.110 ( 0.767 -0.594 -0.674) 1.182 2.110 ( 0.767 0.594 -0.674) 1.182 2.169 ( -0.991 -0.716 2.240) 2.552 2.169 ( -0.991 0.716 2.240) 2.552 2.234 ( 0.539 -2.498 1.272) 2.854 2.234 ( 0.539 2.498 1.272) 2.854 2.251 ( -0.593 -0.735 0.819) 1.250 2.251 ( -0.593 0.735 0.819) 1.250 2.359 ( -0.580 -1.352 -0.412) 1.528 2.359 ( -0.580 1.352 -0.412) 1.528 2.388 ( 2.251 -2.133 0.497) 3.141 2.388 ( 2.251 2.133 0.497) 3.141 2.458 ( 0.567 -3.931 1.430) 4.221 2.458 ( 0.567 3.931 1.430) 4.221 2.594 ( -2.558 -3.158 2.821) 4.947 2.594 ( -2.558 3.158 2.821) 4.947 2.708 ( -0.512 -2.779 -1.411) 3.159 2.708 ( -0.512 2.779 -1.411) 3.159 2.740 ( 0.061 -2.516 2.999) 3.915 2.740 ( 0.061 2.516 2.999) 3.915 2.827 ( -0.568 -0.756 -2.603) 2.769 2.827 ( -0.568 0.756 -2.603) 2.769 2.890 ( -1.332 -1.177 0.386) 1.819 2.890 ( -1.332 1.177 0.386) 1.819 3.092 ( 1.066 -1.466 1.320) 2.242 3.092 ( 1.066 1.466 1.320) 2.242 3.218 ( -0.025 -2.898 2.383) 3.752 3.218 ( -0.025 2.898 2.383) 3.752 3.399 ( -1.742 -3.757 -2.775) 4.984 3.399 ( -1.742 3.757 -2.775) 4.984 3.560 ( -0.522 -1.235 -1.171) 1.780 3.560 ( -0.522 1.235 -1.171) 1.780 3.741 ( 0.200 -5.750 -4.144) 7.091 3.741 ( 0.200 5.750 -4.144) 7.091 3.817 ( 0.631 -1.564 1.105) 2.016 3.817 ( 0.631 1.564 1.105) 2.016 4.015 ( 2.900 -6.411 2.685) 7.531 4.015 ( 2.900 6.411 2.685) 7.531 4.183 ( -0.387 -1.190 -0.380) 1.308 4.183 ( -0.387 1.190 -0.380) 1.308 4.432 ( -0.113 -4.962 -2.022) 5.360 4.432 ( -0.113 4.962 -2.022) 5.360 4.652 ( -2.717 -1.723 -1.011) 3.372 4.652 ( -2.717 1.723 -1.011) 3.372 4.739 ( -1.432 -6.514 -0.647) 6.701 4.739 ( -1.432 6.514 -0.647) 6.701 7.208 ( 1.003 -3.516 -1.936) 4.137 7.208 ( 1.003 3.516 -1.936) 4.137 7.259 ( 2.498 -3.334 0.130) 4.168 7.259 ( 2.498 3.334 0.130) 4.168 7.469 ( 1.855 -2.967 -0.402) 3.523 7.469 ( 1.855 2.967 -0.402) 3.523 7.598 ( 1.761 -4.904 2.896) 5.961 7.598 ( 1.761 4.904 2.896) 5.961 10.414 ( 0.336 -6.175 -0.570) 6.211 10.414 ( 0.336 6.175 -0.570) 6.211 10.819 ( -5.109 -0.115 2.768) 5.812 10.819 ( -5.109 0.115 2.768) 5.812 11.227 ( 3.844 -2.958 3.373) 5.908 11.227 ( 3.844 2.958 3.373) 5.908 11.655 ( -4.820 -7.096 -4.003) 9.466 11.655 ( -4.820 7.096 -4.003) 9.466 12.078 ( 1.019 -3.630 -2.208) 4.369 12.078 ( 1.019 3.630 -2.208) 4.369 12.431 ( -2.939 -3.353 4.083) 6.045 12.431 ( -2.939 3.353 4.083) 6.045 12.915 ( 2.954 -1.947 0.572) 3.584 12.915 ( 2.954 1.947 0.572) 3.584 13.035 ( 2.610 -4.298 2.156) 5.471 13.035 ( 2.610 4.298 2.156) 5.471 13.319 ( 0.834 -6.856 -0.770) 6.949 13.319 ( 0.834 6.856 -0.770) 6.949 13.701 ( -0.409 -5.363 -5.280) 7.537 13.701 ( -0.409 5.363 -5.280) 7.537 13.856 ( 1.636 -2.745 1.286) 3.445 13.856 ( 1.636 2.745 1.286) 3.445 13.917 ( 1.711 -3.640 2.309) 4.638 13.917 ( 1.711 3.640 2.309) 4.638 14.032 ( -1.735 -1.285 -4.172) 4.698 14.032 ( -1.735 1.285 -4.172) 4.698 14.158 ( -0.135 -4.544 0.089) 4.547 14.158 ( -0.135 4.544 0.089) 4.547 14.303 ( -1.902 -1.979 4.163) 4.986 14.303 ( -1.902 1.979 4.163) 4.986 14.497 ( -3.143 -2.742 -1.274) 4.361 14.497 ( -3.143 2.742 -1.274) 4.361 15.232 ( 0.472 -1.133 -1.884) 2.248 15.232 ( 0.472 1.133 -1.884) 2.248 15.353 ( 1.707 -2.176 4.339) 5.146 15.353 ( 1.707 2.176 4.339) 5.146 15.745 ( -1.450 -10.254 -1.135) 10.418 15.745 ( -1.450 10.254 -1.135) 10.418 16.130 ( -8.053 -3.817 -4.051) 9.789 16.130 ( -8.053 3.817 -4.051) 9.789 ======================= Grid point 67 (28/60) ======================= q-point: ( 0.25 -0.50 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.603 ( 4.576 -3.575 -3.377) 6.717 0.603 ( 4.576 3.575 -3.377) 6.717 0.718 ( 5.148 -6.615 1.254) 8.476 0.718 ( 5.148 6.615 1.254) 8.476 0.879 ( 3.649 -0.905 -3.171) 4.919 0.879 ( 3.649 0.905 -3.171) 4.919 0.993 ( 1.434 -1.488 -0.271) 2.085 0.993 ( 1.434 1.488 -0.271) 2.085 1.134 ( 1.674 -1.818 -4.072) 4.763 1.134 ( 1.674 1.818 -4.072) 4.763 1.240 ( -2.813 -2.472 -0.042) 3.745 1.240 ( -2.813 2.472 -0.042) 3.745 1.276 ( 0.823 -2.409 0.716) 2.644 1.276 ( 0.823 2.409 0.716) 2.644 1.421 ( -2.964 -2.028 -0.105) 3.593 1.421 ( -2.964 2.028 -0.105) 3.593 1.466 ( 3.278 -2.683 -2.205) 4.776 1.466 ( 3.278 2.683 -2.205) 4.776 1.526 ( 0.081 -3.213 -0.515) 3.255 1.526 ( 0.081 3.213 -0.515) 3.255 1.616 ( -0.418 -0.231 -1.378) 1.459 1.616 ( -0.418 0.231 -1.378) 1.459 1.653 ( 0.746 -2.659 -1.943) 3.376 1.653 ( 0.746 2.659 -1.943) 3.376 1.671 ( 0.809 -1.637 -0.512) 1.896 1.671 ( 0.809 1.637 -0.512) 1.896 1.770 ( -2.522 -1.899 -2.374) 3.950 1.770 ( -2.522 1.899 -2.374) 3.950 1.831 ( -1.067 -1.591 -1.790) 2.622 1.831 ( -1.067 1.591 -1.790) 2.622 1.858 ( -2.924 -1.509 -1.041) 3.451 1.858 ( -2.924 1.509 -1.041) 3.451 1.892 ( 1.264 -3.545 1.035) 3.903 1.892 ( 1.264 3.545 1.035) 3.903 1.941 ( -1.265 -0.183 -0.676) 1.446 1.941 ( -1.265 0.183 -0.676) 1.446 2.016 ( 2.346 -1.789 2.800) 4.068 2.016 ( 2.346 1.789 2.800) 4.068 2.115 ( -0.212 -0.764 1.601) 1.787 2.115 ( -0.212 0.764 1.601) 1.787 2.148 ( -0.849 -1.173 2.164) 2.604 2.148 ( -0.849 1.173 2.164) 2.604 2.233 ( -0.948 -1.320 -0.497) 1.700 2.233 ( -0.948 1.320 -0.497) 1.700 2.267 ( 1.712 -0.845 2.140) 2.868 2.267 ( 1.712 0.845 2.140) 2.868 2.312 ( -2.973 -2.090 -1.730) 4.025 2.312 ( -2.973 2.090 -1.730) 4.025 2.414 ( 0.610 -1.043 1.891) 2.244 2.414 ( 0.610 1.043 1.891) 2.244 2.511 ( 2.811 -4.397 2.857) 5.949 2.511 ( 2.811 4.397 2.857) 5.949 2.553 ( -0.898 -3.627 2.751) 4.640 2.553 ( -0.898 3.627 2.751) 4.640 2.680 ( -1.902 -5.101 -2.808) 6.125 2.680 ( -1.902 5.101 -2.808) 6.125 2.726 ( -1.403 -0.880 5.757) 5.991 2.726 ( -1.403 0.880 5.757) 5.991 2.795 ( -2.430 -2.632 -0.471) 3.613 2.795 ( -2.430 2.632 -0.471) 3.613 2.891 ( 1.406 -3.135 0.925) 3.558 2.891 ( 1.406 3.135 0.925) 3.558 3.106 ( -0.272 -7.613 3.623) 8.436 3.106 ( -0.272 7.613 3.623) 8.436 3.226 ( 1.259 -0.267 -4.300) 4.488 3.226 ( 1.259 0.267 -4.300) 4.488 3.374 ( -0.240 -3.345 -0.608) 3.408 3.374 ( -0.240 3.345 -0.608) 3.408 3.538 ( -1.819 -1.427 -1.928) 3.011 3.538 ( -1.819 1.427 -1.928) 3.011 3.720 ( -2.541 -5.896 -2.903) 7.046 3.720 ( -2.541 5.896 -2.903) 7.046 3.857 ( 3.095 -1.824 0.801) 3.681 3.857 ( 3.095 1.824 0.801) 3.681 4.059 ( 0.883 -6.292 0.849) 6.410 4.059 ( 0.883 6.292 0.849) 6.410 4.196 ( 2.489 -4.617 0.501) 5.269 4.196 ( 2.489 4.617 0.501) 5.269 4.427 ( -0.390 -3.447 -2.515) 4.285 4.427 ( -0.390 3.447 -2.515) 4.285 4.596 ( -2.822 -0.456 -0.935) 3.007 4.596 ( -2.822 0.456 -0.935) 3.007 4.693 ( -3.253 -5.729 0.648) 6.620 4.693 ( -3.253 5.729 0.648) 6.620 7.235 ( 1.625 -2.999 -1.684) 3.804 7.235 ( 1.625 2.999 -1.684) 3.804 7.298 ( 1.478 -3.269 0.642) 3.645 7.298 ( 1.478 3.269 0.642) 3.645 7.509 ( 2.083 -2.643 -0.984) 3.506 7.509 ( 2.083 2.643 -0.984) 3.506 7.633 ( 1.527 -5.084 2.490) 5.863 7.633 ( 1.527 5.084 2.490) 5.863 10.425 ( 0.963 -5.578 -0.748) 5.709 10.425 ( 0.963 5.578 -0.748) 5.709 10.707 ( -6.168 -1.121 1.203) 6.384 10.707 ( -6.168 1.121 1.203) 6.384 11.301 ( 3.467 -0.627 2.972) 4.609 11.301 ( 3.467 0.627 2.972) 4.609 11.550 ( -5.476 -7.573 -3.152) 9.862 11.550 ( -5.476 7.573 -3.152) 9.862 12.114 ( 2.816 -3.127 -1.352) 4.420 12.114 ( 2.816 3.127 -1.352) 4.420 12.384 ( -2.016 -2.142 3.957) 4.930 12.384 ( -2.016 2.142 3.957) 4.930 12.946 ( -0.482 -1.671 -2.543) 3.081 12.946 ( -0.482 1.671 -2.543) 3.081 13.072 ( 1.500 -3.530 3.596) 5.258 13.072 ( 1.500 3.530 3.596) 5.258 13.344 ( 2.196 -5.105 0.010) 5.558 13.344 ( 2.196 5.105 0.010) 5.558 13.704 ( 0.009 -5.308 -2.920) 6.059 13.704 ( 0.009 5.308 -2.920) 6.059 13.885 ( 1.622 -3.608 0.209) 3.961 13.885 ( 1.622 3.608 0.209) 3.961 13.957 ( 0.854 -1.760 2.956) 3.545 13.957 ( 0.854 1.760 2.956) 3.545 14.003 ( 0.081 -0.870 -4.976) 5.052 14.003 ( 0.081 0.870 -4.976) 5.052 14.146 ( -1.077 -2.097 0.686) 2.455 14.146 ( -1.077 2.097 0.686) 2.455 14.271 ( -0.934 -1.693 2.670) 3.297 14.271 ( -0.934 1.693 2.670) 3.297 14.420 ( -4.580 -2.811 -0.915) 5.451 14.420 ( -4.580 2.811 -0.915) 5.451 15.247 ( 1.079 -1.209 -3.299) 3.676 15.247 ( 1.079 1.209 -3.299) 3.676 15.394 ( 2.410 -3.111 3.933) 5.564 15.394 ( 2.410 3.111 3.933) 5.564 15.707 ( -2.456 -8.555 -1.966) 9.116 15.707 ( -2.456 8.555 -1.966) 9.116 15.966 ( -8.162 -6.234 0.135) 10.271 15.966 ( -8.162 6.234 0.135) 10.271 ======================= Grid point 69 (29/60) ======================= q-point: ( 0.38 -0.50 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.702 ( 5.474 -2.073 -7.695) 9.668 0.702 ( 5.474 2.073 -7.695) 9.668 0.801 ( 2.984 -3.701 -1.400) 4.956 0.801 ( 2.984 3.701 -1.400) 4.956 0.923 ( 0.983 -3.515 -0.624) 3.703 0.923 ( 0.983 3.515 -0.624) 3.703 1.044 ( 3.026 -3.210 -2.273) 4.962 1.044 ( 3.026 3.210 -2.273) 4.962 1.153 ( -1.334 -3.401 -0.282) 3.664 1.153 ( -1.334 3.401 -0.282) 3.664 1.213 ( 1.624 -1.970 -1.315) 2.871 1.213 ( 1.624 1.970 -1.315) 2.871 1.276 ( -1.168 -1.116 -2.145) 2.686 1.276 ( -1.168 1.116 -2.145) 2.686 1.368 ( -1.408 -3.058 -2.243) 4.046 1.368 ( -1.408 3.058 -2.243) 4.046 1.493 ( -0.892 -2.114 -3.150) 3.897 1.493 ( -0.892 2.114 -3.150) 3.897 1.520 ( -0.756 -2.142 -2.199) 3.162 1.520 ( -0.756 2.142 -2.199) 3.162 1.587 ( -2.170 -1.225 -1.935) 3.155 1.587 ( -2.170 1.225 -1.935) 3.155 1.639 ( -0.646 -1.707 -1.953) 2.673 1.639 ( -0.646 1.707 -1.953) 2.673 1.668 ( -1.563 -1.113 -1.373) 2.360 1.668 ( -1.563 1.113 -1.373) 2.360 1.763 ( -0.074 -2.192 -0.964) 2.395 1.763 ( -0.074 2.192 -0.964) 2.395 1.789 ( -0.529 -0.979 0.067) 1.115 1.789 ( -0.529 0.979 0.067) 1.115 1.838 ( 0.137 -0.517 -2.302) 2.363 1.838 ( 0.137 0.517 -2.302) 2.363 1.894 ( -0.175 -3.493 -1.337) 3.744 1.894 ( -0.175 3.493 -1.337) 3.744 1.971 ( 2.223 -2.037 2.925) 4.201 1.971 ( 2.223 2.037 2.925) 4.201 2.065 ( 2.041 -0.337 2.271) 3.072 2.065 ( 2.041 0.337 2.271) 3.072 2.098 ( -0.592 -1.133 3.051) 3.308 2.098 ( -0.592 1.133 3.051) 3.308 2.154 ( 1.375 -0.985 0.178) 1.701 2.154 ( 1.375 0.985 0.178) 1.701 2.205 ( -2.384 -1.445 -2.051) 3.461 2.205 ( -2.384 1.445 -2.051) 3.461 2.243 ( -1.245 -1.875 1.018) 2.470 2.243 ( -1.245 1.875 1.018) 2.470 2.332 ( 2.912 -1.641 3.849) 5.098 2.332 ( 2.912 1.641 3.849) 5.098 2.410 ( -0.981 -1.041 3.264) 3.564 2.410 ( -0.981 1.041 3.264) 3.564 2.490 ( -2.756 -1.442 4.936) 5.834 2.490 ( -2.756 1.442 4.936) 5.834 2.589 ( 1.866 -3.081 0.393) 3.623 2.589 ( 1.866 3.081 0.393) 3.623 2.650 ( -1.127 -4.472 -1.052) 4.731 2.650 ( -1.127 4.472 -1.052) 4.731 2.705 ( -0.074 -0.887 4.767) 4.849 2.705 ( -0.074 0.887 4.767) 4.849 2.754 ( -1.677 -3.295 1.169) 3.878 2.754 ( -1.677 3.295 1.169) 3.878 2.929 ( 2.413 -5.528 1.849) 6.309 2.929 ( 2.413 5.528 1.849) 6.309 3.067 ( -3.552 -9.490 2.053) 10.339 3.067 ( -3.552 9.490 2.053) 10.339 3.283 ( 4.585 -2.253 -5.384) 7.422 3.283 ( 4.585 2.253 -5.384) 7.422 3.396 ( 2.007 -1.963 -0.380) 2.833 3.396 ( 2.007 1.963 -0.380) 2.833 3.494 ( -2.445 -1.513 -2.300) 3.682 3.494 ( -2.445 1.513 -2.300) 3.682 3.648 ( -4.716 -7.630 -0.021) 8.970 3.648 ( -4.716 7.630 -0.021) 8.970 3.918 ( 3.010 -1.971 -0.775) 3.680 3.918 ( 3.010 1.971 -0.775) 3.680 4.048 ( -1.409 -3.757 -0.276) 4.022 4.048 ( -1.409 3.757 -0.276) 4.022 4.272 ( 4.539 -6.917 -0.104) 8.274 4.272 ( 4.539 6.917 -0.104) 8.274 4.416 ( -0.859 -3.793 -2.059) 4.401 4.416 ( -0.859 3.793 -2.059) 4.401 4.553 ( -1.389 -1.391 -0.435) 2.013 4.553 ( -1.389 1.391 -0.435) 2.013 4.623 ( -3.784 -3.526 1.033) 5.274 4.623 ( -3.784 3.526 1.033) 5.274 7.265 ( 1.332 -2.277 -1.544) 3.057 7.265 ( 1.332 2.277 -1.544) 3.057 7.316 ( 0.395 -2.738 0.413) 2.797 7.316 ( 0.395 2.738 0.413) 2.797 7.543 ( 1.359 -2.622 -0.652) 3.025 7.543 ( 1.359 2.622 -0.652) 3.025 7.651 ( 0.410 -4.572 3.219) 5.607 7.651 ( 0.410 4.572 3.219) 5.607 10.452 ( 1.860 -4.722 -1.250) 5.227 10.452 ( 1.860 4.722 -1.250) 5.227 10.597 ( -5.023 -2.819 -0.132) 5.761 10.597 ( -5.023 2.819 -0.132) 5.761 11.355 ( 2.320 -4.725 1.943) 5.611 11.355 ( 2.320 4.725 1.943) 5.611 11.460 ( -3.867 -8.138 -1.429) 9.123 11.460 ( -3.867 8.138 -1.429) 9.123 12.183 ( 4.212 -2.623 0.025) 4.962 12.183 ( 4.212 2.623 0.025) 4.962 12.341 ( -2.845 -0.997 2.790) 4.107 12.341 ( -2.845 0.997 2.790) 4.107 12.918 ( -1.492 -1.673 -4.031) 4.613 12.918 ( -1.492 1.673 -4.031) 4.613 13.087 ( -0.023 -2.752 4.150) 4.980 13.087 ( -0.023 2.752 4.150) 4.980 13.413 ( 4.610 -3.056 -0.782) 5.586 13.413 ( 4.610 3.056 -0.782) 5.586 13.673 ( -3.176 -4.065 1.395) 5.343 13.673 ( -3.176 4.065 1.395) 5.343 13.908 ( -0.295 -2.857 -1.942) 3.467 13.908 ( -0.295 2.857 -1.942) 3.467 13.947 ( 0.370 -3.367 -0.007) 3.387 13.947 ( 0.370 3.367 -0.007) 3.387 14.043 ( 2.470 -1.169 -2.357) 3.609 14.043 ( 2.470 1.169 -2.357) 3.609 14.125 ( -0.981 -2.207 0.409) 2.450 14.125 ( -0.981 2.207 0.409) 2.450 14.269 ( 0.473 -1.769 1.626) 2.449 14.269 ( 0.473 1.769 1.626) 2.449 14.338 ( -3.541 -1.196 0.456) 3.765 14.338 ( -3.541 1.196 0.456) 3.765 15.270 ( 1.128 -2.235 -4.958) 5.554 15.270 ( 1.128 2.235 -4.958) 5.554 15.439 ( 2.143 -3.254 3.483) 5.226 15.439 ( 2.143 3.254 3.483) 5.226 15.657 ( -2.518 -4.557 -2.884) 5.951 15.657 ( -2.518 4.557 -2.884) 5.951 15.840 ( -4.721 -4.258 3.318) 7.171 15.840 ( -4.721 4.258 3.318) 7.171 ======================= Grid point 71 (30/60) ======================= q-point: (-0.50 -0.50 0.17) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 -4.184 -11.021) 11.789 0.777 ( 0.000 4.184 -11.021) 11.789 0.818 ( 0.000 -1.285 -2.238) 2.581 0.818 ( 0.000 1.285 -2.238) 2.581 0.929 ( 0.000 -4.790 0.656) 4.835 0.929 ( 0.000 4.790 0.656) 4.835 1.085 ( 0.000 -1.244 0.179) 1.257 1.085 ( 0.000 1.244 0.179) 1.257 1.128 ( 0.000 -1.142 -3.664) 3.837 1.128 ( 0.000 1.142 -3.664) 3.837 1.209 ( 0.000 -3.560 3.742) 5.165 1.209 ( 0.000 3.560 3.742) 5.165 1.305 ( 0.000 -2.786 -7.742) 8.228 1.305 ( 0.000 2.786 -7.742) 8.228 1.342 ( -0.000 -1.116 -4.386) 4.526 1.342 ( -0.000 1.116 -4.386) 4.526 1.474 ( 0.000 -2.626 -0.879) 2.770 1.474 ( 0.000 2.626 -0.879) 2.770 1.503 ( -0.000 -0.217 -2.731) 2.740 1.503 ( 0.000 0.217 -2.731) 2.740 1.575 ( 0.000 -2.334 0.171) 2.340 1.575 ( 0.000 2.334 0.171) 2.340 1.604 ( 0.000 -1.524 -2.987) 3.353 1.604 ( 0.000 1.524 -2.987) 3.353 1.677 ( 0.000 -1.571 -0.475) 1.641 1.677 ( 0.000 1.571 -0.475) 1.641 1.741 ( 0.000 -2.809 -1.666) 3.266 1.741 ( 0.000 2.809 -1.666) 3.266 1.800 ( 0.000 -2.666 1.660) 3.141 1.800 ( 0.000 2.666 1.660) 3.141 1.848 ( 0.000 -2.917 -2.043) 3.562 1.848 ( 0.000 2.917 -2.043) 3.562 1.896 ( 0.000 -3.608 -3.025) 4.709 1.896 ( 0.000 3.608 -3.025) 4.709 1.983 ( 0.000 -2.302 1.935) 3.007 1.983 ( 0.000 2.302 1.935) 3.007 2.071 ( 0.000 -1.013 2.511) 2.708 2.071 ( 0.000 1.013 2.511) 2.708 2.126 ( 0.000 -0.480 -1.349) 1.432 2.126 ( 0.000 0.480 -1.349) 1.432 2.161 ( 0.000 -0.826 -0.299) 0.879 2.161 ( 0.000 0.826 -0.299) 0.879 2.176 ( 0.000 -1.540 1.890) 2.438 2.176 ( 0.000 1.540 1.890) 2.438 2.237 ( 0.000 -3.321 2.144) 3.953 2.237 ( 0.000 3.321 2.144) 3.953 2.379 ( 0.000 -1.484 6.368) 6.539 2.379 ( 0.000 1.484 6.368) 6.539 2.389 ( -0.000 -1.336 2.979) 3.265 2.389 ( -0.000 1.336 2.979) 3.265 2.448 ( 0.000 -2.213 5.056) 5.519 2.448 ( 0.000 2.213 5.056) 5.519 2.605 ( 0.000 -4.270 -2.241) 4.823 2.605 ( 0.000 4.270 -2.241) 4.823 2.636 ( 0.000 -1.985 2.313) 3.048 2.636 ( 0.000 1.985 2.313) 3.048 2.721 ( 0.000 -1.949 4.279) 4.702 2.721 ( 0.000 1.949 4.279) 4.702 2.730 ( 0.000 -3.872 0.843) 3.963 2.730 ( 0.000 3.872 0.843) 3.963 2.975 ( 0.000 -8.443 1.465) 8.569 2.975 ( 0.000 8.443 1.465) 8.569 3.004 ( -0.000 -8.385 1.931) 8.604 3.004 ( -0.000 8.385 1.931) 8.604 3.359 ( 0.000 -2.119 -6.461) 6.800 3.359 ( 0.000 2.119 -6.461) 6.800 3.403 ( 0.000 -0.599 -2.089) 2.173 3.403 ( 0.000 0.599 -2.089) 2.173 3.477 ( 0.000 -7.472 -1.174) 7.563 3.477 ( 0.000 7.472 -1.174) 7.563 3.580 ( -0.000 -7.263 2.657) 7.734 3.580 ( -0.000 7.263 2.657) 7.734 3.954 ( 0.000 -2.009 -2.461) 3.177 3.954 ( 0.000 2.009 -2.461) 3.177 4.028 ( 0.000 -3.188 0.632) 3.250 4.028 ( 0.000 3.188 0.632) 3.250 4.330 ( 0.000 -5.166 -3.299) 6.130 4.330 ( 0.000 5.166 -3.299) 6.130 4.399 ( 0.000 -6.980 0.917) 7.040 4.399 ( 0.000 6.980 0.917) 7.040 4.548 ( 0.000 -4.539 0.334) 4.551 4.548 ( 0.000 4.539 0.334) 4.551 4.572 ( 0.000 -4.114 0.356) 4.130 4.572 ( 0.000 4.114 0.356) 4.130 7.279 ( 0.000 -1.940 -1.484) 2.443 7.279 ( 0.000 1.940 -1.484) 2.443 7.318 ( 0.000 -2.149 0.115) 2.152 7.318 ( 0.000 2.149 0.115) 2.152 7.557 ( 0.000 -2.542 -0.478) 2.586 7.557 ( 0.000 2.542 -0.478) 2.586 7.654 ( 0.000 -4.440 3.842) 5.871 7.654 ( 0.000 4.440 3.842) 5.871 10.485 ( -0.000 -4.095 -2.253) 4.674 10.485 ( 0.000 4.095 -2.253) 4.674 10.533 ( 0.000 -4.646 0.064) 4.646 10.533 ( 0.000 4.646 0.064) 4.646 11.392 ( 0.000 -8.777 0.232) 8.780 11.392 ( 0.000 8.777 0.232) 8.780 11.407 ( 0.000 -8.262 0.607) 8.284 11.407 ( 0.000 8.262 0.607) 8.284 12.256 ( -0.000 -1.885 0.570) 1.970 12.256 ( 0.000 1.885 0.570) 1.970 12.282 ( 0.000 -2.404 2.420) 3.411 12.282 ( 0.000 2.404 2.420) 3.411 12.903 ( 0.000 -1.836 -4.684) 5.030 12.903 ( 0.000 1.836 -4.684) 5.030 13.083 ( 0.000 -2.566 4.349) 5.049 13.083 ( 0.000 2.566 4.349) 5.049 13.476 ( 0.000 -4.124 -2.876) 5.027 13.476 ( 0.000 4.124 -2.876) 5.027 13.623 ( 0.000 -2.305 4.507) 5.062 13.623 ( 0.000 2.305 4.507) 5.062 13.896 ( 0.000 -0.491 -2.651) 2.696 13.896 ( 0.000 0.491 -2.651) 2.696 13.959 ( 0.000 -6.427 0.182) 6.429 13.959 ( 0.000 6.427 0.182) 6.429 14.073 ( 0.000 -2.148 -3.071) 3.747 14.073 ( 0.000 2.148 -3.071) 3.747 14.111 ( 0.000 -2.939 0.388) 2.964 14.111 ( 0.000 2.939 0.388) 2.964 14.280 ( -0.000 -1.995 0.351) 2.026 14.280 ( -0.000 1.995 0.351) 2.026 14.297 ( 0.000 -0.749 2.406) 2.520 14.297 ( 0.000 0.749 2.406) 2.520 15.282 ( 0.000 -3.179 -5.823) 6.634 15.282 ( 0.000 3.179 -5.823) 6.634 15.464 ( 0.000 -4.080 3.350) 5.279 15.464 ( 0.000 4.080 3.350) 5.279 15.628 ( 0.000 -1.354 -3.242) 3.513 15.628 ( 0.000 1.354 -3.242) 3.513 15.794 ( 0.000 -2.009 4.562) 4.985 15.794 ( 0.000 2.009 4.562) 4.985 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.451 ( 0.000 0.000 10.043) 10.043 0.489 ( 0.000 0.000 12.330) 12.330 0.730 ( 0.000 0.000 4.809) 4.809 0.751 ( 0.000 0.000 -2.141) 2.141 0.754 ( 0.000 0.000 4.234) 4.234 0.957 ( 0.000 0.000 -1.797) 1.797 0.965 ( 0.000 0.000 0.706) 0.706 0.978 ( 0.000 0.000 -1.195) 1.195 1.048 ( 0.000 0.000 8.291) 8.291 1.118 ( 0.000 0.000 -8.061) 8.061 1.137 ( 0.000 0.000 2.458) 2.458 1.183 ( 0.000 0.000 9.162) 9.162 1.212 ( 0.000 0.000 -4.459) 4.459 1.307 ( 0.000 0.000 9.147) 9.147 1.375 ( 0.000 0.000 -3.931) 3.931 1.382 ( 0.000 0.000 -2.852) 2.852 1.465 ( 0.000 0.000 -3.517) 3.517 1.481 ( 0.000 0.000 -3.408) 3.408 1.533 ( 0.000 0.000 0.590) 0.590 1.536 ( 0.000 0.000 -3.804) 3.804 1.570 ( 0.000 0.000 6.453) 6.453 1.596 ( 0.000 0.000 -0.422) 0.422 1.680 ( 0.000 0.000 -7.433) 7.433 1.683 ( 0.000 0.000 0.768) 0.768 1.697 ( 0.000 0.000 3.785) 3.785 1.705 ( 0.000 0.000 5.834) 5.834 1.735 ( 0.000 0.000 -1.242) 1.242 1.765 ( 0.000 0.000 -1.068) 1.068 1.771 ( 0.000 0.000 0.095) 0.095 1.793 ( 0.000 0.000 -1.801) 1.801 1.882 ( 0.000 0.000 0.439) 0.439 1.885 ( 0.000 0.000 -2.513) 2.513 1.910 ( 0.000 0.000 -3.474) 3.474 1.973 ( 0.000 0.000 1.013) 1.013 1.988 ( 0.000 0.000 1.592) 1.592 2.006 ( 0.000 0.000 -0.521) 0.521 2.031 ( 0.000 0.000 -4.646) 4.646 2.044 ( 0.000 0.000 5.612) 5.612 2.083 ( 0.000 0.000 2.718) 2.718 2.089 ( 0.000 0.000 -4.459) 4.459 2.159 ( 0.000 0.000 5.013) 5.013 2.198 ( 0.000 0.000 2.107) 2.107 2.219 ( 0.000 0.000 2.230) 2.230 2.256 ( 0.000 0.000 -5.032) 5.032 2.266 ( 0.000 0.000 3.413) 3.413 2.291 ( 0.000 0.000 1.816) 1.816 2.298 ( 0.000 0.000 -6.658) 6.658 2.305 ( 0.000 0.000 3.104) 3.104 2.410 ( 0.000 0.000 1.501) 1.501 2.431 ( 0.000 0.000 -7.526) 7.526 2.479 ( 0.000 0.000 1.565) 1.565 2.501 ( 0.000 0.000 5.357) 5.357 2.568 ( 0.000 0.000 -1.550) 1.550 2.628 ( 0.000 0.000 -2.972) 2.972 2.657 ( 0.000 0.000 1.953) 1.953 2.688 ( 0.000 0.000 -4.572) 4.572 2.699 ( 0.000 0.000 -3.873) 3.873 2.734 ( 0.000 0.000 1.483) 1.483 2.833 ( 0.000 0.000 -1.960) 1.960 2.886 ( 0.000 0.000 0.419) 0.419 2.899 ( 0.000 0.000 4.044) 4.044 2.913 ( 0.000 0.000 -3.012) 3.012 3.179 ( 0.000 0.000 -5.938) 5.938 3.179 ( 0.000 0.000 6.642) 6.642 3.212 ( 0.000 0.000 5.945) 5.945 3.264 ( 0.000 0.000 2.844) 2.844 3.272 ( 0.000 0.000 -9.326) 9.326 3.430 ( 0.000 0.000 -5.112) 5.112 3.545 ( 0.000 0.000 0.322) 0.322 3.551 ( 0.000 0.000 0.190) 0.190 3.573 ( 0.000 0.000 -1.349) 1.349 3.631 ( 0.000 0.000 -2.555) 2.555 3.802 ( 0.000 0.000 1.818) 1.818 3.881 ( 0.000 0.000 10.016) 10.016 3.988 ( 0.000 0.000 -5.164) 5.164 4.147 ( 0.000 0.000 -4.603) 4.603 4.214 ( 0.000 0.000 3.685) 3.685 4.359 ( 0.000 0.000 2.337) 2.337 4.383 ( 0.000 0.000 5.752) 5.752 4.402 ( 0.000 0.000 -5.646) 5.646 4.495 ( 0.000 0.000 -5.017) 5.017 4.557 ( 0.000 0.000 -2.834) 2.834 4.689 ( 0.000 0.000 7.634) 7.634 4.865 ( 0.000 0.000 -1.193) 1.193 7.071 ( 0.000 0.000 0.936) 0.936 7.148 ( 0.000 0.000 -2.917) 2.917 7.298 ( 0.000 0.000 2.569) 2.569 7.334 ( 0.000 0.000 2.220) 2.220 7.394 ( 0.000 0.000 -2.176) 2.176 7.418 ( 0.000 0.000 -1.936) 1.936 7.616 ( 0.000 0.000 4.758) 4.758 7.811 ( 0.000 0.000 -4.859) 4.859 10.313 ( 0.000 0.000 3.554) 3.554 10.500 ( 0.000 0.000 -5.810) 5.810 10.940 ( 0.000 0.000 3.254) 3.254 10.956 ( 0.000 0.000 3.853) 3.853 11.204 ( 0.000 0.000 7.160) 7.160 11.318 ( 0.000 0.000 1.343) 1.343 11.490 ( 0.000 0.000 0.577) 0.577 11.733 ( 0.000 0.000 -10.317) 10.317 11.867 ( 0.000 0.000 0.199) 0.199 11.999 ( 0.000 0.000 -5.938) 5.938 12.479 ( 0.000 0.000 6.629) 6.629 12.623 ( 0.000 0.000 0.238) 0.238 12.839 ( 0.000 0.000 1.634) 1.634 12.936 ( 0.000 0.000 -3.256) 3.256 12.957 ( 0.000 0.000 6.777) 6.777 13.235 ( 0.000 0.000 7.348) 7.348 13.284 ( 0.000 0.000 -9.321) 9.321 13.334 ( 0.000 0.000 7.985) 7.985 13.481 ( 0.000 0.000 -3.742) 3.742 13.698 ( 0.000 0.000 -11.579) 11.579 13.795 ( 0.000 0.000 4.151) 4.151 13.845 ( 0.000 0.000 -3.913) 3.913 13.873 ( 0.000 0.000 4.829) 4.829 13.947 ( 0.000 0.000 -9.592) 9.592 13.963 ( 0.000 0.000 -0.505) 0.505 14.010 ( 0.000 0.000 5.910) 5.910 14.106 ( 0.000 0.000 6.535) 6.535 14.200 ( 0.000 0.000 -2.082) 2.082 14.329 ( 0.000 0.000 -2.294) 2.294 14.431 ( 0.000 0.000 -9.114) 9.114 14.515 ( 0.000 0.000 5.829) 5.829 14.612 ( 0.000 0.000 -0.044) 0.044 15.167 ( 0.000 0.000 1.936) 1.936 15.259 ( 0.000 0.000 -2.931) 2.931 15.416 ( 0.000 0.000 1.277) 1.277 15.431 ( 0.000 0.000 12.759) 12.759 15.443 ( 0.000 0.000 0.214) 0.214 15.893 ( 0.000 0.000 -9.077) 9.077 16.129 ( 0.000 0.000 -0.167) 0.167 16.152 ( 0.000 0.000 -2.694) 2.694 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.12 0.00 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.461 ( -0.556 0.000 12.838) 12.850 0.485 ( 3.358 0.000 8.505) 9.144 0.701 ( -0.545 0.000 -1.671) 1.758 0.775 ( 0.564 0.000 3.966) 4.006 0.822 ( 2.866 0.000 -1.818) 3.394 0.902 ( -2.837 0.000 -4.381) 5.219 0.934 ( -2.720 0.000 0.418) 2.752 1.017 ( 3.301 0.000 0.641) 3.363 1.075 ( 1.580 0.000 1.551) 2.214 1.149 ( 2.805 0.000 -9.174) 9.593 1.152 ( 1.713 0.000 3.498) 3.895 1.200 ( -0.190 0.000 3.852) 3.856 1.271 ( 4.446 0.000 -3.448) 5.626 1.281 ( 1.773 0.000 11.425) 11.562 1.373 ( -0.696 0.000 -1.891) 2.015 1.425 ( 0.044 0.000 -4.050) 4.050 1.435 ( -2.874 0.000 -1.126) 3.086 1.444 ( -1.818 0.000 1.342) 2.260 1.460 ( -2.300 0.000 -3.701) 4.358 1.576 ( 1.138 0.000 -0.153) 1.148 1.581 ( 0.057 0.000 2.752) 2.752 1.585 ( -0.753 0.000 -1.063) 1.303 1.608 ( -5.884 0.000 -4.261) 7.265 1.673 ( -0.302 0.000 3.152) 3.166 1.680 ( -0.632 0.000 -0.687) 0.933 1.739 ( 0.959 0.000 2.826) 2.984 1.747 ( -1.316 0.000 1.824) 2.249 1.750 ( 0.843 0.000 -2.016) 2.186 1.801 ( -4.249 0.000 -3.068) 5.241 1.813 ( 3.110 0.000 -4.206) 5.231 1.821 ( 1.896 0.000 -0.898) 2.098 1.882 ( -1.115 0.000 0.523) 1.232 1.942 ( -0.643 0.000 3.293) 3.355 1.944 ( -3.023 0.000 -3.266) 4.450 1.990 ( 1.059 0.000 -0.529) 1.184 2.010 ( 1.219 0.000 0.460) 1.303 2.035 ( -0.805 0.000 4.796) 4.863 2.042 ( 1.475 0.000 -3.374) 3.682 2.068 ( -1.607 0.000 -1.458) 2.170 2.076 ( -0.592 0.000 4.331) 4.371 2.142 ( -1.479 0.000 3.449) 3.753 2.203 ( 0.229 0.000 0.656) 0.694 2.212 ( -0.446 0.000 1.749) 1.805 2.260 ( 1.082 0.000 -0.753) 1.318 2.269 ( -2.689 0.000 -6.844) 7.354 2.296 ( 1.313 0.000 2.451) 2.781 2.315 ( 1.428 0.000 -0.938) 1.708 2.326 ( 2.543 0.000 3.568) 4.382 2.410 ( 1.678 0.000 1.133) 2.025 2.459 ( -0.637 0.000 -2.931) 3.000 2.476 ( 0.481 0.000 3.810) 3.840 2.522 ( -1.877 0.000 0.679) 1.996 2.549 ( 3.598 0.000 4.325) 5.626 2.593 ( -2.728 0.000 -2.153) 3.475 2.675 ( 1.664 0.000 0.299) 1.690 2.677 ( -0.782 0.000 -3.677) 3.760 2.717 ( 1.349 0.000 -3.933) 4.158 2.754 ( 1.480 0.000 -0.135) 1.486 2.831 ( -4.304 0.000 2.239) 4.852 2.832 ( -0.284 0.000 -2.196) 2.215 2.924 ( 0.581 0.000 1.137) 1.277 2.941 ( 2.837 0.000 -3.854) 4.785 3.042 ( -6.088 0.000 0.011) 6.088 3.114 ( -5.999 0.000 -0.207) 6.002 3.177 ( -0.854 0.000 5.467) 5.534 3.309 ( 1.353 0.000 -1.642) 2.128 3.380 ( 5.756 0.000 -1.590) 5.972 3.407 ( -2.227 0.000 -4.854) 5.341 3.552 ( 0.628 0.000 1.565) 1.686 3.570 ( 1.045 0.000 0.756) 1.290 3.597 ( 1.840 0.000 -2.020) 2.733 3.659 ( 2.807 0.000 -1.987) 3.439 3.796 ( -0.336 0.000 1.481) 1.518 3.899 ( 1.716 0.000 8.242) 8.419 3.976 ( -1.153 0.000 -5.038) 5.168 4.138 ( -0.965 0.000 -4.094) 4.206 4.227 ( 1.265 0.000 3.655) 3.867 4.298 ( -3.536 0.000 3.046) 4.667 4.401 ( -1.294 0.000 -4.824) 4.994 4.428 ( -3.813 0.000 -4.065) 5.573 4.437 ( 2.877 0.000 3.730) 4.710 4.573 ( 0.171 0.000 -2.729) 2.734 4.672 ( -1.631 0.000 6.999) 7.187 4.850 ( -1.792 0.000 -2.182) 2.824 7.100 ( 2.737 0.000 1.036) 2.926 7.201 ( 4.026 0.000 -4.650) 6.151 7.297 ( 0.010 0.000 2.681) 2.681 7.359 ( 2.233 0.000 1.444) 2.659 7.397 ( 0.686 0.000 -2.317) 2.416 7.427 ( 0.855 0.000 -1.582) 1.798 7.634 ( 1.815 0.000 4.491) 4.844 7.801 ( -0.739 0.000 -3.538) 3.614 10.320 ( 0.658 0.000 3.317) 3.382 10.497 ( -0.377 0.000 -5.586) 5.599 10.874 ( -6.063 0.000 3.024) 6.775 10.887 ( -5.985 0.000 3.376) 6.871 11.246 ( 1.698 0.000 3.971) 4.318 11.327 ( -0.402 0.000 0.310) 0.507 11.464 ( -0.484 0.000 3.337) 3.372 11.712 ( -1.129 0.000 -8.397) 8.473 11.897 ( 2.976 0.000 0.249) 2.986 12.017 ( 1.891 0.000 -5.399) 5.721 12.452 ( -2.342 0.000 5.892) 6.340 12.571 ( -4.443 0.000 0.981) 4.551 12.892 ( 4.568 0.000 0.900) 4.656 12.963 ( 2.400 0.000 -2.781) 3.673 12.983 ( 1.589 0.000 6.671) 6.858 13.248 ( 1.259 0.000 5.875) 6.008 13.327 ( 1.239 0.000 -10.854) 10.924 13.344 ( 1.790 0.000 7.256) 7.473 13.455 ( -2.090 0.000 -3.440) 4.026 13.701 ( 1.496 0.000 -11.226) 11.326 13.826 ( 2.357 0.000 0.950) 2.542 13.861 ( 2.309 0.000 -0.811) 2.447 13.880 ( -0.613 0.000 -0.577) 0.842 13.918 ( -0.632 0.000 -0.567) 0.849 14.013 ( -0.046 0.000 6.696) 6.696 14.024 ( 4.583 0.000 -4.442) 6.382 14.090 ( -1.338 0.000 6.490) 6.626 14.187 ( -1.321 0.000 -2.923) 3.208 14.309 ( -1.642 0.000 -2.594) 3.071 14.422 ( -1.332 0.000 -9.233) 9.329 14.483 ( -2.967 0.000 5.110) 5.909 14.541 ( -6.614 0.000 1.323) 6.745 15.188 ( 2.214 0.000 1.703) 2.793 15.268 ( 0.865 0.000 -2.524) 2.668 15.418 ( -0.950 0.000 10.387) 10.430 15.436 ( 1.852 0.000 2.473) 3.089 15.449 ( 0.700 0.000 0.450) 0.833 15.861 ( -3.202 0.000 -9.091) 9.639 16.027 ( -8.666 0.000 4.625) 9.823 16.114 ( -3.797 0.000 -2.609) 4.607 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.25 0.00 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 5.126 0.000 6.734) 8.463 0.572 ( 5.493 0.000 4.597) 7.163 0.698 ( 0.148 0.000 -4.725) 4.728 0.722 ( -4.366 0.000 0.022) 4.366 0.844 ( -3.523 0.000 -3.440) 4.924 0.853 ( 0.669 0.000 -3.238) 3.306 0.965 ( 4.812 0.000 -4.792) 6.791 1.058 ( -1.517 0.000 -0.697) 1.669 1.087 ( 1.699 0.000 -1.950) 2.587 1.142 ( -0.779 0.000 3.338) 3.428 1.197 ( 1.596 0.000 -6.879) 7.061 1.211 ( -0.134 0.000 2.353) 2.357 1.308 ( -2.333 0.000 -5.129) 5.635 1.318 ( -0.492 0.000 0.885) 1.013 1.366 ( -3.861 0.000 -0.623) 3.911 1.382 ( 1.810 0.000 0.477) 1.872 1.417 ( 1.167 0.000 -1.512) 1.909 1.420 ( -1.592 0.000 -0.189) 1.604 1.460 ( 2.340 0.000 -0.620) 2.420 1.483 ( -5.069 0.000 -6.554) 8.286 1.574 ( -0.719 0.000 -0.400) 0.822 1.604 ( 1.422 0.000 3.548) 3.822 1.608 ( 3.312 0.000 -0.578) 3.362 1.662 ( -1.298 0.000 -0.773) 1.511 1.678 ( -0.233 0.000 0.999) 1.026 1.699 ( -1.040 0.000 0.113) 1.046 1.702 ( -4.051 0.000 -3.661) 5.460 1.755 ( -0.282 0.000 1.865) 1.886 1.767 ( -0.425 0.000 0.140) 0.447 1.814 ( -4.509 0.000 0.992) 4.617 1.854 ( -3.697 0.000 -3.040) 4.786 1.859 ( 1.625 0.000 3.164) 3.557 1.881 ( 1.540 0.000 -2.863) 3.251 1.988 ( 3.766 0.000 2.946) 4.782 1.999 ( -0.374 0.000 -1.615) 1.658 2.015 ( -0.534 0.000 3.582) 3.621 2.016 ( -2.108 0.000 0.854) 2.275 2.040 ( 1.553 0.000 -0.404) 1.605 2.072 ( 1.127 0.000 -1.335) 1.747 2.091 ( 0.316 0.000 1.470) 1.503 2.116 ( -0.831 0.000 1.683) 1.877 2.202 ( 0.057 0.000 0.413) 0.417 2.211 ( 0.471 0.000 1.808) 1.868 2.216 ( -2.109 0.000 -4.746) 5.194 2.264 ( -1.422 0.000 -0.560) 1.528 2.319 ( -1.884 0.000 -3.989) 4.412 2.323 ( 1.645 0.000 4.628) 4.912 2.378 ( -3.625 0.000 2.287) 4.286 2.387 ( 3.610 0.000 4.449) 5.729 2.456 ( 1.480 0.000 1.769) 2.306 2.496 ( 1.390 0.000 4.785) 4.983 2.540 ( -1.815 0.000 0.561) 1.900 2.563 ( 4.185 0.000 1.606) 4.483 2.615 ( 2.364 0.000 3.079) 3.882 2.657 ( -1.319 0.000 -1.990) 2.388 2.734 ( 0.139 0.000 0.981) 0.990 2.737 ( 4.620 0.000 0.005) 4.620 2.755 ( -2.179 0.000 1.570) 2.686 2.779 ( 0.344 0.000 -0.810) 0.880 2.817 ( -0.844 0.000 -3.622) 3.719 2.903 ( -2.270 0.000 1.651) 2.807 2.958 ( -3.720 0.000 -0.919) 3.832 2.994 ( 0.066 0.000 1.150) 1.152 3.076 ( 4.715 0.000 -4.226) 6.331 3.166 ( -0.043 0.000 2.298) 2.299 3.325 ( 0.838 0.000 0.122) 0.847 3.352 ( -3.484 0.000 -4.485) 5.679 3.455 ( 1.706 0.000 -4.494) 4.807 3.561 ( -0.266 0.000 2.947) 2.958 3.569 ( -1.685 0.000 0.869) 1.895 3.636 ( 3.003 0.000 -0.473) 3.040 3.701 ( 0.873 0.000 3.314) 3.427 3.810 ( 2.223 0.000 -1.751) 2.829 3.936 ( 1.846 0.000 4.688) 5.038 3.948 ( -1.733 0.000 -4.363) 4.695 4.108 ( -2.286 0.000 -3.011) 3.780 4.237 ( -1.838 0.000 1.005) 2.095 4.262 ( 1.482 0.000 4.071) 4.332 4.313 ( -4.906 0.000 -3.260) 5.890 4.419 ( 0.118 0.000 -3.555) 3.557 4.486 ( 2.471 0.000 1.590) 2.939 4.556 ( -1.642 0.000 -1.843) 2.468 4.633 ( -2.255 0.000 5.409) 5.860 4.797 ( -3.606 0.000 -3.018) 4.702 7.162 ( 3.436 0.000 0.931) 3.560 7.261 ( 2.135 0.000 -3.911) 4.455 7.301 ( 0.346 0.000 2.474) 2.498 7.369 ( -1.014 0.000 -0.539) 1.149 7.451 ( 3.837 0.000 -2.028) 4.340 7.451 ( 1.675 0.000 -0.687) 1.810 7.680 ( 2.800 0.000 4.075) 4.945 7.791 ( -0.279 0.000 -0.975) 1.014 10.337 ( 1.086 0.000 2.711) 2.921 10.484 ( -1.040 0.000 -4.777) 4.888 10.745 ( -6.669 0.000 1.994) 6.961 10.764 ( -6.265 0.000 1.431) 6.427 11.206 ( -4.427 0.000 -0.511) 4.457 11.272 ( -4.906 0.000 -2.117) 5.343 11.529 ( 5.838 0.000 7.070) 9.169 11.717 ( 1.326 0.000 -3.138) 3.407 11.975 ( 5.070 0.000 0.694) 5.117 12.074 ( 4.003 0.000 -4.361) 5.919 12.403 ( -2.668 0.000 3.944) 4.762 12.476 ( -5.356 0.000 1.182) 5.485 12.976 ( 3.261 0.000 2.005) 3.828 12.993 ( -0.100 0.000 4.198) 4.199 13.009 ( 1.871 0.000 -1.929) 2.688 13.263 ( -6.472 0.000 -7.355) 9.797 13.275 ( 2.002 0.000 4.362) 4.799 13.424 ( -1.216 0.000 -2.331) 2.629 13.424 ( 5.947 0.000 4.148) 7.250 13.741 ( 0.137 0.000 -10.552) 10.553 13.854 ( 0.523 0.000 -4.609) 4.639 13.856 ( -0.105 0.000 -5.285) 5.286 13.931 ( 1.348 0.000 3.598) 3.842 13.938 ( 4.667 0.000 4.691) 6.617 13.986 ( -2.580 0.000 6.795) 7.268 14.087 ( 1.723 0.000 6.437) 6.664 14.105 ( 2.796 0.000 -4.085) 4.950 14.158 ( -1.299 0.000 -4.743) 4.917 14.269 ( -3.258 0.000 -3.493) 4.777 14.368 ( -3.484 0.000 -8.368) 9.064 14.417 ( -4.996 0.000 2.794) 5.724 14.420 ( -3.084 0.000 3.624) 4.759 15.250 ( 4.172 0.000 0.859) 4.260 15.289 ( 1.223 0.000 -1.336) 1.811 15.394 ( -1.403 0.000 9.088) 9.195 15.468 ( 1.194 0.000 1.166) 1.669 15.492 ( 3.844 0.000 0.737) 3.915 15.780 ( -5.092 0.000 -8.653) 10.040 15.863 ( -7.673 0.000 7.817) 10.954 16.014 ( -6.454 0.000 -2.221) 6.826 ======================= Grid point 93 (34/60) ======================= q-point: ( 0.38 0.00 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.606 ( 3.381 0.000 0.605) 3.434 0.651 ( -1.039 0.000 -3.268) 3.429 0.695 ( 5.315 0.000 -0.337) 5.326 0.724 ( 3.127 0.000 -7.401) 8.035 0.792 ( -1.391 0.000 -6.012) 6.171 0.852 ( -0.270 0.000 -4.525) 4.533 0.983 ( -5.155 0.000 -7.074) 8.753 1.024 ( -0.495 0.000 -8.937) 8.950 1.120 ( 1.342 0.000 4.196) 4.405 1.165 ( 2.065 0.000 1.827) 2.757 1.179 ( -1.027 0.000 -2.549) 2.748 1.191 ( -2.909 0.000 -2.831) 4.059 1.240 ( -2.453 0.000 0.961) 2.635 1.265 ( -5.028 0.000 -1.599) 5.276 1.325 ( 0.261 0.000 -2.247) 2.262 1.376 ( -1.388 0.000 -4.116) 4.344 1.407 ( 1.530 0.000 0.275) 1.554 1.430 ( 1.364 0.000 -2.473) 2.824 1.461 ( 1.553 0.000 -1.711) 2.311 1.531 ( 0.754 0.000 -3.671) 3.748 1.550 ( -2.405 0.000 0.128) 2.408 1.592 ( -2.397 0.000 0.261) 2.411 1.625 ( -0.347 0.000 -1.623) 1.660 1.646 ( 0.390 0.000 -1.162) 1.226 1.652 ( -1.099 0.000 -1.447) 1.817 1.666 ( -0.094 0.000 1.326) 1.329 1.735 ( -0.945 0.000 2.440) 2.617 1.749 ( -1.000 0.000 0.730) 1.238 1.753 ( 0.568 0.000 -0.483) 0.745 1.791 ( 6.100 0.000 2.862) 6.738 1.800 ( -0.937 0.000 -0.044) 0.938 1.864 ( -3.481 0.000 1.584) 3.824 1.873 ( -0.231 0.000 2.007) 2.020 1.974 ( -1.874 0.000 -3.242) 3.745 1.976 ( -2.342 0.000 1.477) 2.768 2.027 ( 1.747 0.000 -3.273) 3.710 2.045 ( -3.297 0.000 -0.103) 3.299 2.050 ( 1.802 0.000 -1.802) 2.548 2.095 ( 2.872 0.000 0.500) 2.915 2.103 ( 1.552 0.000 1.098) 1.901 2.120 ( 1.539 0.000 2.050) 2.564 2.187 ( -1.473 0.000 -1.827) 2.347 2.202 ( -2.589 0.000 1.090) 2.809 2.205 ( -1.312 0.000 -0.112) 1.317 2.248 ( 1.609 0.000 -0.032) 1.609 2.276 ( 0.168 0.000 -1.989) 1.996 2.335 ( -2.019 0.000 1.019) 2.262 2.345 ( 0.189 0.000 2.812) 2.819 2.461 ( 3.295 0.000 3.926) 5.125 2.467 ( -0.049 0.000 1.636) 1.637 2.494 ( -0.339 0.000 3.101) 3.119 2.559 ( 3.200 0.000 4.187) 5.270 2.620 ( -1.817 0.000 -1.433) 2.314 2.645 ( 1.882 0.000 4.943) 5.289 2.652 ( 1.898 0.000 4.885) 5.240 2.729 ( -0.477 0.000 6.299) 6.317 2.738 ( 0.888 0.000 0.971) 1.315 2.743 ( -1.902 0.000 1.232) 2.266 2.819 ( -0.299 0.000 -3.993) 4.004 2.820 ( 1.069 0.000 -2.452) 2.674 2.863 ( -1.345 0.000 5.837) 5.990 2.879 ( -3.354 0.000 0.671) 3.421 3.049 ( 6.919 0.000 1.653) 7.113 3.159 ( 1.816 0.000 -0.614) 1.917 3.226 ( 6.997 0.000 -4.319) 8.223 3.280 ( -3.758 0.000 -4.194) 5.631 3.352 ( 1.895 0.000 -1.128) 2.205 3.446 ( -2.229 0.000 -4.468) 4.993 3.479 ( -7.208 0.000 1.684) 7.402 3.524 ( -3.558 0.000 1.788) 3.982 3.714 ( 4.174 0.000 -0.226) 4.180 3.727 ( 2.258 0.000 4.367) 4.916 3.858 ( 2.109 0.000 -1.528) 2.604 3.915 ( -1.578 0.000 -1.973) 2.527 3.965 ( 1.258 0.000 0.338) 1.303 4.051 ( -3.441 0.000 -2.612) 4.320 4.211 ( -0.796 0.000 -0.034) 0.797 4.239 ( -2.704 0.000 -2.054) 3.396 4.299 ( 2.270 0.000 2.896) 3.679 4.402 ( -2.125 0.000 -1.684) 2.711 4.533 ( -0.186 0.000 -0.961) 0.979 4.539 ( 3.077 0.000 -1.311) 3.344 4.593 ( -1.640 0.000 3.666) 4.016 4.717 ( -4.543 0.000 -2.890) 5.385 7.225 ( 3.156 0.000 0.495) 3.195 7.290 ( 1.076 0.000 -2.466) 2.690 7.307 ( 0.146 0.000 1.149) 1.159 7.336 ( -2.356 0.000 -0.492) 2.407 7.488 ( 1.991 0.000 0.135) 1.995 7.507 ( 1.755 0.000 -1.248) 2.154 7.733 ( 2.535 0.000 3.744) 4.521 7.787 ( -0.329 0.000 1.422) 1.459 10.363 ( 1.720 0.000 1.470) 2.263 10.453 ( -2.250 0.000 -2.863) 3.641 10.643 ( -3.521 0.000 -0.015) 3.521 10.663 ( -4.052 0.000 -0.744) 4.120 11.133 ( -2.511 0.000 -1.207) 2.786 11.176 ( -4.382 0.000 -2.547) 5.068 11.636 ( 4.875 0.000 6.338) 7.996 11.733 ( -0.130 0.000 1.277) 1.284 12.087 ( 6.406 0.000 1.250) 6.526 12.163 ( 4.803 0.000 -2.938) 5.630 12.351 ( -2.831 0.000 1.685) 3.294 12.368 ( -5.764 0.000 1.305) 5.910 12.971 ( -0.893 0.000 3.042) 3.171 13.014 ( -1.669 0.000 -1.533) 2.267 13.037 ( 2.543 0.000 0.680) 2.632 13.148 ( -4.502 0.000 -2.954) 5.385 13.338 ( 4.139 0.000 1.337) 4.349 13.411 ( -0.128 0.000 -0.980) 0.988 13.533 ( 4.820 0.000 2.608) 5.480 13.687 ( -4.337 0.000 -4.093) 5.964 13.838 ( -1.515 0.000 -1.738) 2.305 13.864 ( -0.311 0.000 -4.031) 4.043 13.952 ( -0.321 0.000 1.021) 1.070 13.960 ( 1.186 0.000 -0.414) 1.257 14.013 ( 2.454 0.000 2.935) 3.826 14.090 ( -3.866 0.000 -2.483) 4.595 14.142 ( 2.037 0.000 0.443) 2.085 14.157 ( 2.926 0.000 0.566) 2.980 14.205 ( -2.003 0.000 -4.414) 4.847 14.333 ( -4.364 0.000 1.928) 4.771 14.345 ( 0.347 0.000 -3.451) 3.469 14.376 ( -1.557 0.000 1.953) 2.498 15.313 ( 1.263 0.000 0.599) 1.398 15.339 ( 3.833 0.000 0.628) 3.884 15.373 ( 0.446 0.000 5.030) 5.050 15.488 ( 0.469 0.000 1.797) 1.857 15.578 ( 4.797 0.000 -0.185) 4.801 15.680 ( -4.686 0.000 -6.497) 8.011 15.746 ( -4.212 0.000 6.048) 7.370 15.879 ( -7.371 0.000 -1.427) 7.507 ======================= Grid point 94 (35/60) ======================= q-point: (-0.50 0.00 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.636 ( -0.332 0.000 -3.772) 3.787 0.636 ( 0.332 0.000 -3.772) 3.787 0.758 ( -0.095 0.000 -4.319) 4.321 0.758 ( 0.095 0.000 -4.319) 4.321 0.836 ( -1.186 0.000 -10.489) 10.556 0.836 ( 1.186 0.000 -10.489) 10.556 0.944 ( -2.505 0.000 -4.430) 5.089 0.944 ( 2.505 0.000 -4.430) 5.089 1.139 ( -0.317 0.000 -0.386) 0.499 1.139 ( 0.317 0.000 -0.386) 0.499 1.192 ( -1.264 0.000 0.961) 1.588 1.192 ( 1.264 0.000 0.961) 1.588 1.213 ( -0.382 0.000 -0.872) 0.952 1.213 ( 0.382 0.000 -0.872) 0.952 1.342 ( -1.031 0.000 -4.470) 4.588 1.342 ( 1.031 0.000 -4.470) 4.588 1.467 ( -3.253 0.000 -1.769) 3.703 1.467 ( 3.253 0.000 -1.769) 3.703 1.481 ( -3.626 0.000 -0.807) 3.715 1.481 ( 3.626 0.000 -0.807) 3.715 1.529 ( -2.293 0.000 0.008) 2.293 1.529 ( 2.293 0.000 0.008) 2.293 1.636 ( -0.194 0.000 0.303) 0.360 1.636 ( 0.194 0.000 0.303) 0.360 1.666 ( -0.285 0.000 -0.945) 0.987 1.666 ( 0.285 0.000 -0.945) 0.987 1.736 ( -0.284 0.000 1.100) 1.136 1.736 ( 0.284 0.000 1.100) 1.136 1.789 ( -3.191 0.000 1.636) 3.586 1.789 ( 3.191 0.000 1.636) 3.586 1.826 ( -1.260 0.000 0.065) 1.262 1.826 ( 1.260 0.000 0.065) 1.262 1.917 ( -3.532 0.000 -0.878) 3.639 1.917 ( 3.532 0.000 -0.878) 3.639 1.970 ( -0.808 0.000 1.091) 1.358 1.970 ( 0.808 0.000 1.091) 1.358 2.061 ( -0.099 0.000 -2.928) 2.929 2.061 ( 0.099 0.000 -2.928) 2.929 2.130 ( -0.044 0.000 0.971) 0.972 2.130 ( 0.044 0.000 0.971) 0.972 2.150 ( -0.050 0.000 0.308) 0.312 2.150 ( 0.050 0.000 0.308) 0.312 2.174 ( -0.717 0.000 -0.660) 0.974 2.174 ( 0.717 0.000 -0.660) 0.974 2.290 ( -0.802 0.000 0.693) 1.061 2.290 ( 0.802 0.000 0.693) 1.061 2.319 ( -0.579 0.000 -0.917) 1.085 2.319 ( 0.579 0.000 -0.917) 1.085 2.465 ( -0.011 0.000 1.864) 1.864 2.465 ( 0.011 0.000 1.864) 1.864 2.558 ( -4.163 0.000 4.246) 5.946 2.558 ( 4.163 0.000 4.246) 5.946 2.623 ( -3.059 0.000 3.278) 4.483 2.623 ( 3.059 0.000 3.278) 4.483 2.692 ( -1.554 0.000 5.074) 5.307 2.692 ( 1.554 0.000 5.074) 5.307 2.765 ( -0.012 0.000 3.670) 3.670 2.765 ( 0.012 0.000 3.670) 3.670 2.799 ( -0.230 0.000 1.441) 1.459 2.799 ( 0.230 0.000 1.441) 1.459 2.849 ( -0.000 0.000 -1.257) 1.257 2.849 ( 0.000 0.000 -1.257) 1.257 3.194 ( -0.009 0.000 0.418) 0.418 3.194 ( 0.009 0.000 0.418) 0.418 3.249 ( -5.179 0.000 -1.101) 5.295 3.249 ( 5.179 0.000 -1.101) 5.295 3.383 ( -2.620 0.000 -3.300) 4.213 3.383 ( 2.620 0.000 -3.300) 4.213 3.440 ( -3.834 0.000 -0.365) 3.851 3.440 ( 3.834 0.000 -0.365) 3.851 3.760 ( -0.000 0.000 0.908) 0.908 3.760 ( 0.000 0.000 0.908) 0.908 3.887 ( -0.669 0.000 0.504) 0.837 3.887 ( 0.669 0.000 0.504) 0.837 3.994 ( -0.703 0.000 -2.789) 2.876 3.994 ( 0.703 0.000 -2.789) 2.876 4.208 ( -0.066 0.000 -0.711) 0.714 4.208 ( 0.066 0.000 -0.711) 0.714 4.349 ( -0.873 0.000 0.633) 1.079 4.349 ( 0.873 0.000 0.633) 1.079 4.548 ( -0.550 0.000 0.126) 0.564 4.548 ( 0.550 0.000 0.126) 0.564 4.629 ( -4.462 0.000 -1.592) 4.738 4.629 ( 4.462 0.000 -1.592) 4.738 7.283 ( -1.749 0.000 -0.133) 1.754 7.283 ( 1.749 0.000 -0.133) 1.754 7.304 ( -0.301 0.000 -0.639) 0.707 7.304 ( 0.301 0.000 -0.639) 0.707 7.516 ( -0.095 0.000 -0.095) 0.134 7.516 ( 0.095 0.000 -0.095) 0.134 7.772 ( -0.276 0.000 3.012) 3.025 7.772 ( 0.276 0.000 3.012) 3.025 10.404 ( -1.801 0.000 -0.401) 1.845 10.404 ( 1.801 0.000 -0.401) 1.845 10.616 ( -0.076 0.000 -1.490) 1.492 10.616 ( 0.076 0.000 -1.490) 1.492 11.120 ( -0.395 0.000 -1.798) 1.841 11.120 ( 0.395 0.000 -1.798) 1.841 11.708 ( -2.274 0.000 4.244) 4.815 11.708 ( 2.274 0.000 4.244) 4.815 12.200 ( -3.259 0.000 0.377) 3.281 12.200 ( 3.259 0.000 0.377) 3.281 12.299 ( -0.367 0.000 0.403) 0.545 12.299 ( 0.367 0.000 0.403) 0.545 12.973 ( -0.184 0.000 -0.174) 0.253 12.973 ( 0.184 0.000 -0.174) 0.253 13.086 ( -0.471 0.000 0.034) 0.472 13.086 ( 0.471 0.000 0.034) 0.472 13.401 ( -0.233 0.000 -0.720) 0.757 13.401 ( 0.233 0.000 -0.720) 0.757 13.607 ( -1.696 0.000 1.293) 2.133 13.607 ( 1.696 0.000 1.293) 2.133 13.839 ( -1.596 0.000 -2.187) 2.707 13.839 ( 1.596 0.000 -2.187) 2.707 13.959 ( -0.185 0.000 -2.812) 2.818 13.959 ( 0.185 0.000 -2.812) 2.818 14.040 ( -0.331 0.000 0.169) 0.372 14.040 ( 0.331 0.000 0.169) 0.372 14.171 ( -1.217 0.000 -3.305) 3.522 14.171 ( 1.217 0.000 -3.305) 3.522 14.245 ( -4.439 0.000 3.430) 5.610 14.245 ( 4.439 0.000 3.430) 5.610 14.356 ( -0.145 0.000 -0.375) 0.402 14.356 ( 0.145 0.000 -0.375) 0.402 15.336 ( -0.141 0.000 3.055) 3.058 15.336 ( 0.141 0.000 3.055) 3.058 15.454 ( -1.323 0.000 -0.465) 1.402 15.454 ( 1.323 0.000 -0.465) 1.402 15.631 ( -0.030 0.000 -0.555) 0.555 15.631 ( 0.030 0.000 -0.555) 0.555 15.750 ( -2.226 0.000 0.482) 2.277 15.750 ( 2.226 0.000 0.482) 2.277 ======================= Grid point 99 (36/60) ======================= q-point: ( 0.00 0.25 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.455 ( 0.000 2.157 8.281) 8.557 0.538 ( 0.000 4.563 11.048) 11.954 0.694 ( 0.000 -1.866 0.206) 1.877 0.723 ( 0.000 -3.093 -3.088) 4.370 0.730 ( 0.000 -2.903 6.353) 6.985 0.848 ( 0.000 -10.582 0.018) 10.582 0.960 ( 0.000 -0.313 -5.042) 5.052 0.978 ( 0.000 1.332 -2.058) 2.451 1.041 ( 0.000 -0.352 -2.313) 2.340 1.087 ( 0.000 -1.565 -2.283) 2.768 1.179 ( 0.000 2.506 0.871) 2.653 1.220 ( 0.000 1.136 6.690) 6.786 1.269 ( 0.000 3.781 4.297) 5.723 1.299 ( 0.000 3.189 2.505) 4.056 1.388 ( 0.000 -0.269 -2.707) 2.721 1.432 ( 0.000 3.054 -2.746) 4.107 1.462 ( 0.000 -0.168 1.704) 1.712 1.478 ( 0.000 1.383 -1.508) 2.046 1.537 ( 0.000 -2.576 0.731) 2.678 1.566 ( 0.000 0.494 -0.207) 0.536 1.571 ( 0.000 1.190 0.372) 1.247 1.583 ( 0.000 1.365 -2.755) 3.074 1.599 ( 0.000 -4.890 1.554) 5.131 1.644 ( 0.000 -3.689 0.163) 3.693 1.685 ( 0.000 0.084 -3.478) 3.479 1.704 ( 0.000 -1.807 -1.170) 2.153 1.749 ( 0.000 0.335 -0.692) 0.769 1.752 ( 0.000 0.482 1.147) 1.244 1.812 ( 0.000 2.374 2.169) 3.216 1.817 ( 0.000 2.516 0.744) 2.624 1.877 ( 0.000 -0.579 0.921) 1.088 1.902 ( 0.000 -0.531 0.693) 0.873 1.903 ( 0.000 0.769 -1.049) 1.301 1.966 ( 0.000 -2.741 -0.854) 2.871 1.977 ( 0.000 1.484 -2.167) 2.627 2.006 ( 0.000 0.707 0.049) 0.709 2.018 ( 0.000 0.408 -1.043) 1.121 2.061 ( 0.000 -1.408 -2.835) 3.166 2.062 ( 0.000 -1.114 2.933) 3.138 2.095 ( 0.000 -0.574 2.676) 2.736 2.193 ( 0.000 -0.374 2.042) 2.076 2.198 ( 0.000 4.014 2.052) 4.508 2.240 ( 0.000 -1.166 -2.457) 2.719 2.259 ( 0.000 2.729 1.537) 3.132 2.275 ( 0.000 -1.452 -0.654) 1.593 2.280 ( 0.000 1.072 2.271) 2.511 2.313 ( 0.000 1.123 -4.364) 4.507 2.323 ( 0.000 1.279 1.593) 2.043 2.391 ( 0.000 -2.441 1.038) 2.653 2.431 ( 0.000 -3.199 0.820) 3.302 2.454 ( 0.000 1.779 -1.508) 2.333 2.487 ( 0.000 0.730 4.619) 4.676 2.597 ( 0.000 1.489 -2.034) 2.521 2.624 ( 0.000 -1.915 -4.085) 4.512 2.628 ( 0.000 -0.120 -4.056) 4.058 2.670 ( 0.000 -2.491 -6.864) 7.302 2.738 ( 0.000 1.445 4.130) 4.376 2.748 ( 0.000 3.880 2.033) 4.380 2.834 ( 0.000 -0.903 -0.589) 1.078 2.892 ( 0.000 -0.044 1.615) 1.615 2.915 ( 0.000 2.125 4.762) 5.215 2.964 ( 0.000 2.017 -0.095) 2.019 3.102 ( 0.000 -4.682 -4.278) 6.342 3.124 ( 0.000 -4.735 2.223) 5.231 3.181 ( 0.000 1.552 -1.722) 2.318 3.252 ( 0.000 3.474 6.479) 7.351 3.407 ( 0.000 -2.695 -5.984) 6.563 3.417 ( 0.000 4.344 -1.279) 4.529 3.501 ( 0.000 -2.826 0.098) 2.827 3.575 ( 0.000 2.154 -1.545) 2.651 3.581 ( 0.000 -1.711 -0.303) 1.738 3.662 ( 0.000 6.324 -3.046) 7.019 3.778 ( 0.000 -2.859 0.144) 2.863 3.894 ( 0.000 -0.804 6.021) 6.075 3.975 ( 0.000 0.308 -3.062) 3.077 4.144 ( 0.000 -0.945 -3.963) 4.074 4.201 ( 0.000 -8.664 1.034) 8.725 4.237 ( 0.000 -2.205 -0.285) 2.224 4.344 ( 0.000 2.436 5.601) 6.108 4.499 ( 0.000 -2.521 1.015) 2.718 4.546 ( 0.000 7.087 -4.070) 8.172 4.564 ( 0.000 4.337 -3.056) 5.306 4.721 ( 0.000 0.917 3.133) 3.265 4.832 ( 0.000 -3.284 -1.037) 3.444 7.103 ( 0.000 2.952 0.040) 2.952 7.153 ( 0.000 0.471 -2.467) 2.512 7.241 ( 0.000 -2.566 1.438) 2.941 7.310 ( 0.000 -4.728 -1.980) 5.126 7.408 ( 0.000 4.416 2.819) 5.239 7.497 ( 0.000 4.234 -0.985) 4.347 7.578 ( 0.000 -3.281 3.982) 5.159 7.727 ( 0.000 -6.775 -2.195) 7.121 10.337 ( 0.000 2.383 2.457) 3.422 10.469 ( 0.000 -2.922 -4.101) 5.036 10.944 ( 0.000 0.388 3.652) 3.672 10.957 ( 0.000 -0.010 4.127) 4.127 11.217 ( 0.000 1.301 5.961) 6.101 11.295 ( 0.000 -2.048 1.542) 2.564 11.535 ( 0.000 3.983 -0.675) 4.040 11.698 ( 0.000 -3.068 -7.900) 8.475 11.925 ( 0.000 4.816 -1.322) 4.994 12.024 ( 0.000 1.267 -5.505) 5.649 12.489 ( 0.000 1.146 5.161) 5.287 12.589 ( 0.000 -3.000 0.707) 3.082 12.867 ( 0.000 2.620 2.242) 3.448 12.944 ( 0.000 0.284 -1.148) 1.183 12.983 ( 0.000 2.502 5.605) 6.138 13.165 ( 0.000 -5.564 1.346) 5.724 13.235 ( 0.000 -1.017 3.695) 3.832 13.407 ( 0.000 -6.388 -3.469) 7.269 13.457 ( 0.000 7.689 -2.424) 8.062 13.671 ( 0.000 -2.703 -10.100) 10.455 13.816 ( 0.000 1.506 2.255) 2.711 13.842 ( 0.000 -0.089 -2.997) 2.999 13.901 ( 0.000 2.473 3.816) 4.547 13.970 ( 0.000 2.138 -5.669) 6.059 14.005 ( 0.000 -1.074 4.852) 4.969 14.024 ( 0.000 5.363 0.753) 5.415 14.080 ( 0.000 -2.180 4.280) 4.803 14.211 ( 0.000 -0.334 -3.099) 3.117 14.313 ( 0.000 -0.346 -0.983) 1.043 14.408 ( 0.000 -2.343 -5.557) 6.031 14.515 ( 0.000 0.257 3.245) 3.255 14.576 ( 0.000 -2.771 1.090) 2.978 15.191 ( 0.000 1.847 0.991) 2.095 15.225 ( 0.000 -1.718 -0.361) 1.755 15.408 ( 0.000 -0.321 2.486) 2.507 15.445 ( 0.000 0.062 4.170) 4.171 15.547 ( 0.000 8.967 3.083) 9.483 15.859 ( 0.000 -3.886 -6.882) 7.903 16.115 ( 0.000 -0.994 -2.103) 2.326 16.129 ( 0.000 -1.756 -3.809) 4.194 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.12 0.25 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 1.000 2.034 7.423) 7.761 0.548 ( 1.525 4.510 7.542) 8.919 0.679 ( -1.215 -2.088 -1.878) 3.060 0.749 ( 3.350 -1.728 3.311) 5.017 0.799 ( 3.592 -2.013 -0.148) 4.121 0.830 ( -2.236 -9.319 -3.862) 10.333 0.938 ( -0.442 2.428 -1.827) 3.070 0.982 ( 0.979 -0.632 -2.584) 2.834 1.061 ( 2.737 -2.068 -0.907) 3.548 1.120 ( -0.479 -1.630 0.570) 1.792 1.188 ( 3.650 1.247 -1.673) 4.204 1.250 ( 2.089 1.430 2.768) 3.751 1.272 ( -1.306 -0.113 5.025) 5.194 1.293 ( 0.492 5.237 -0.294) 5.269 1.372 ( -1.306 -1.895 -3.410) 4.114 1.397 ( -2.760 0.646 -1.817) 3.367 1.443 ( -2.487 2.206 -2.149) 3.959 1.492 ( -0.200 -0.183 -0.388) 0.473 1.510 ( -1.499 0.520 -0.189) 1.598 1.544 ( -2.171 -0.380 -1.379) 2.600 1.564 ( -0.289 -1.187 0.200) 1.238 1.576 ( -0.515 0.745 -1.453) 1.712 1.624 ( 1.571 -1.114 -2.105) 2.853 1.633 ( 0.650 0.582 1.545) 1.775 1.668 ( -1.409 -1.966 -0.950) 2.598 1.708 ( 0.996 -2.329 1.903) 3.168 1.745 ( -1.967 1.049 -0.288) 2.248 1.791 ( 2.432 0.102 -1.268) 2.744 1.804 ( -0.486 2.931 2.160) 3.673 1.828 ( -1.057 0.593 -2.620) 2.886 1.851 ( 0.275 1.007 0.320) 1.091 1.862 ( -2.459 -0.244 0.048) 2.471 1.914 ( -0.827 -1.322 0.284) 1.585 1.944 ( -0.804 -0.161 1.919) 2.087 1.973 ( -0.572 -0.578 0.412) 0.911 2.009 ( -1.419 -1.582 1.001) 2.349 2.046 ( 0.591 0.126 -1.559) 1.672 2.051 ( 0.591 0.701 0.571) 1.080 2.070 ( 0.499 -0.402 2.204) 2.296 2.078 ( 0.843 0.256 -0.869) 1.238 2.193 ( -0.731 3.877 2.218) 4.526 2.197 ( -0.334 -0.197 1.100) 1.166 2.217 ( -1.523 0.313 -0.448) 1.618 2.258 ( 0.052 -2.038 -0.185) 2.047 2.262 ( -1.137 -0.099 -2.137) 2.423 2.290 ( -0.756 1.071 -0.437) 1.382 2.315 ( 2.099 1.119 0.913) 2.548 2.363 ( 2.521 0.720 2.079) 3.346 2.410 ( 2.813 -0.904 2.261) 3.720 2.430 ( -1.160 -0.746 0.876) 1.634 2.462 ( 1.205 0.642 2.486) 2.836 2.527 ( 2.707 -0.602 1.130) 2.995 2.574 ( -1.129 2.230 1.057) 2.714 2.596 ( -1.363 0.169 -3.178) 3.462 2.641 ( 0.558 -1.672 -2.841) 3.343 2.694 ( 1.414 -0.150 -4.717) 4.926 2.709 ( -0.531 -0.696 -1.346) 1.606 2.782 ( 0.488 1.798 5.096) 5.426 2.819 ( -0.423 0.404 -0.296) 0.656 2.855 ( -1.956 1.384 -1.156) 2.660 2.925 ( -1.100 0.365 1.572) 1.953 2.957 ( -0.735 -1.196 1.115) 1.793 3.058 ( -0.324 4.123 -1.992) 4.591 3.107 ( -2.833 -2.864 1.546) 4.315 3.188 ( -2.118 2.201 2.596) 4.008 3.259 ( 3.044 -0.970 -0.090) 3.196 3.383 ( -2.396 -3.080 -4.676) 6.090 3.416 ( 0.039 1.489 -0.191) 1.501 3.502 ( -0.325 -2.814 -0.440) 2.867 3.565 ( 0.119 0.441 -0.938) 1.043 3.621 ( 1.694 -2.892 -2.241) 4.032 3.700 ( 3.424 7.290 -0.863) 8.100 3.770 ( -0.258 -3.009 -0.523) 3.065 3.899 ( 0.334 -1.175 4.831) 4.983 3.980 ( 0.563 1.586 -1.543) 2.283 4.135 ( -0.986 -0.701 -3.544) 3.745 4.195 ( -0.220 -5.349 1.509) 5.562 4.275 ( 3.270 -4.172 -0.534) 5.328 4.325 ( -1.679 2.408 3.282) 4.403 4.441 ( -4.404 -0.408 -1.461) 4.658 4.542 ( -0.614 6.329 -2.578) 6.862 4.591 ( 1.323 2.646 -0.544) 3.008 4.697 ( -2.253 0.954 3.379) 4.171 4.818 ( -1.689 -3.191 -1.824) 4.045 7.126 ( 2.198 2.380 0.253) 3.249 7.194 ( 3.084 -0.709 -3.591) 4.787 7.255 ( 1.447 -1.894 1.435) 2.782 7.324 ( 1.224 -3.980 -1.866) 4.563 7.421 ( 1.310 3.799 1.965) 4.473 7.507 ( 1.140 4.950 -0.713) 5.130 7.587 ( 0.966 -4.055 3.528) 5.461 7.737 ( 0.936 -5.527 -1.491) 5.801 10.343 ( 0.566 2.273 2.301) 3.283 10.468 ( -0.117 -2.723 -3.936) 4.788 10.871 ( -6.689 0.109 2.790) 7.249 10.890 ( -5.983 -0.128 3.730) 7.051 11.262 ( 2.494 1.487 3.242) 4.352 11.319 ( 2.106 -0.830 2.376) 3.282 11.495 ( -3.129 3.044 0.226) 4.371 11.666 ( -2.408 -3.982 -6.491) 7.987 11.951 ( 2.671 4.449 -1.086) 5.301 12.039 ( 1.688 1.197 -4.583) 5.029 12.465 ( -2.134 1.326 4.935) 5.538 12.550 ( -3.413 -2.035 1.493) 4.245 12.898 ( 2.170 0.960 0.348) 2.398 12.958 ( 1.537 -0.388 2.236) 2.741 13.028 ( 3.331 3.256 2.639) 5.353 13.180 ( -0.522 -6.885 0.163) 6.907 13.244 ( 2.479 0.426 3.454) 4.273 13.411 ( 0.222 -4.047 -2.862) 4.962 13.480 ( 2.033 6.067 -2.939) 7.041 13.666 ( 0.642 -3.035 -9.144) 9.656 13.838 ( 1.625 0.964 -1.396) 2.349 13.861 ( 2.112 0.310 0.702) 2.247 13.914 ( 0.180 2.794 0.211) 2.808 13.954 ( -0.492 2.621 -0.666) 2.749 13.998 ( -0.382 -0.088 5.176) 5.191 14.061 ( 1.019 -0.545 4.232) 4.387 14.071 ( 1.060 1.163 -0.524) 1.659 14.209 ( -0.293 1.021 -3.583) 3.737 14.276 ( -3.112 -2.006 -1.601) 4.033 14.386 ( -2.601 -3.260 -5.557) 6.949 14.488 ( -2.607 0.431 2.398) 3.568 14.525 ( -4.597 -1.147 2.012) 5.147 15.202 ( 1.155 0.835 0.641) 1.563 15.224 ( -0.091 -2.312 -0.362) 2.342 15.414 ( 0.663 -0.316 2.706) 2.804 15.461 ( 1.422 0.483 4.285) 4.540 15.537 ( -0.805 8.277 1.979) 8.548 15.830 ( -2.916 -3.589 -6.948) 8.347 16.036 ( -6.866 0.902 1.277) 7.042 16.094 ( -3.565 -1.698 -3.122) 5.034 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.25 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 3.547 -0.382 1.071) 3.725 0.588 ( 1.964 -0.681 1.354) 2.480 0.665 ( 0.314 0.874 -1.321) 1.615 0.773 ( -2.209 -3.544 -5.236) 6.697 0.804 ( 0.958 4.747 -1.181) 4.985 0.847 ( 1.934 -0.954 -1.201) 2.468 0.966 ( 3.313 0.488 -2.147) 3.978 1.022 ( 2.397 -2.823 0.266) 3.712 1.087 ( -1.303 0.169 -1.087) 1.705 1.125 ( 1.651 -3.535 -0.665) 3.958 1.220 ( -0.764 2.579 2.462) 3.646 1.260 ( 0.918 -0.830 -1.609) 2.030 1.275 ( -1.978 1.444 -3.734) 4.465 1.292 ( -1.710 -3.711 -5.000) 6.457 1.333 ( -4.991 -0.804 -2.131) 5.486 1.370 ( 1.235 -1.761 -0.055) 2.151 1.374 ( 0.021 1.855 -2.052) 2.766 1.470 ( -2.076 2.540 -2.638) 4.210 1.502 ( -0.657 1.691 -2.288) 2.920 1.512 ( 0.606 0.130 2.147) 2.235 1.559 ( -0.120 0.515 -3.379) 3.420 1.576 ( -0.014 -1.392 -0.733) 1.573 1.629 ( -1.124 -0.116 1.860) 2.177 1.658 ( 0.514 -0.766 0.088) 0.926 1.671 ( 2.998 -0.286 -1.093) 3.204 1.688 ( -2.894 0.646 -0.104) 2.967 1.725 ( 0.023 -2.011 0.978) 2.236 1.759 ( -4.018 2.209 -1.606) 4.858 1.778 ( -1.988 -2.182 -3.341) 4.458 1.812 ( -3.508 -0.963 -0.410) 3.661 1.815 ( -0.911 2.779 0.928) 3.068 1.879 ( 1.176 0.938 -0.930) 1.769 1.897 ( 0.085 2.381 3.690) 4.392 1.931 ( -2.551 -3.897 3.227) 5.666 1.961 ( -0.513 -2.484 -1.207) 2.809 2.000 ( 3.383 -0.064 2.571) 4.250 2.036 ( 0.154 0.247 -0.472) 0.555 2.087 ( 0.833 1.295 -1.306) 2.019 2.089 ( 0.454 1.046 0.063) 1.143 2.104 ( 1.163 0.407 2.558) 2.839 2.159 ( -1.827 2.401 2.191) 3.728 2.183 ( -0.689 -1.254 -1.183) 1.857 2.216 ( 0.476 0.740 0.933) 1.282 2.219 ( -1.251 1.077 -2.098) 2.670 2.252 ( -1.002 -0.557 -2.491) 2.742 2.284 ( -1.761 -0.671 0.065) 1.885 2.357 ( 2.871 0.438 5.612) 6.319 2.398 ( 1.090 1.262 3.339) 3.732 2.420 ( 0.986 1.981 3.818) 4.413 2.457 ( 0.854 0.143 1.571) 1.794 2.511 ( 3.987 -0.274 2.069) 4.501 2.537 ( 0.083 2.858 2.110) 3.553 2.554 ( -0.468 0.303 1.215) 1.337 2.624 ( 1.082 -0.741 2.141) 2.511 2.652 ( 0.130 -2.303 -1.756) 2.899 2.692 ( 1.686 1.135 -0.470) 2.086 2.736 ( 0.635 -2.377 0.005) 2.460 2.760 ( -0.134 -0.030 -0.067) 0.153 2.814 ( -1.584 1.238 0.678) 2.122 2.867 ( 2.116 4.924 -1.642) 5.605 2.879 ( -2.330 -0.926 1.845) 3.113 2.940 ( -0.477 -1.165 -0.742) 1.461 3.023 ( -4.645 2.275 1.902) 5.511 3.100 ( 3.359 1.669 -1.213) 3.942 3.170 ( 0.505 0.994 0.770) 1.355 3.314 ( 0.835 -2.025 -2.950) 3.674 3.329 ( -1.492 -2.448 -1.158) 3.092 3.421 ( 0.552 -2.132 -1.615) 2.731 3.481 ( -1.843 -3.502 -0.863) 4.051 3.569 ( 0.222 -0.475 0.279) 0.594 3.611 ( -3.203 -3.042 -0.812) 4.491 3.758 ( 2.399 -0.749 -1.773) 3.075 3.801 ( 3.391 2.838 -0.246) 4.429 3.901 ( -0.140 -0.628 2.755) 2.830 3.991 ( 0.261 2.611 0.007) 2.624 4.104 ( -2.300 -0.643 -2.686) 3.594 4.199 ( 0.862 -2.642 1.876) 3.353 4.296 ( -0.944 3.551 -0.008) 3.674 4.347 ( 2.272 -0.501 -1.966) 3.046 4.364 ( -1.412 -3.440 -1.128) 3.886 4.516 ( -2.091 4.781 -1.197) 5.353 4.601 ( -0.197 2.414 1.056) 2.642 4.645 ( -2.959 0.803 2.603) 4.022 4.767 ( -3.497 -2.933 -2.320) 5.120 7.176 ( 2.769 1.300 0.308) 3.075 7.242 ( 1.944 -1.594 -2.640) 3.646 7.285 ( 1.263 -0.678 1.023) 1.761 7.344 ( 0.458 -2.244 -1.617) 2.804 7.453 ( 1.891 2.264 -0.011) 2.950 7.543 ( 2.402 5.826 0.132) 6.303 7.616 ( 1.954 -5.240 2.705) 6.213 7.759 ( 1.277 -3.438 0.313) 3.681 10.358 ( 0.964 2.074 1.823) 2.925 10.465 ( -0.189 -1.981 -3.597) 4.111 10.725 ( -7.943 -0.657 1.418) 8.096 10.762 ( -6.736 -0.994 1.973) 7.089 11.255 ( -2.404 4.566 -1.391) 5.345 11.326 ( -2.865 4.929 0.333) 5.711 11.486 ( 3.209 -3.701 4.153) 6.422 11.638 ( -0.559 -6.826 -2.624) 7.335 12.026 ( 5.054 3.897 -0.163) 6.384 12.093 ( 3.947 1.195 -2.977) 5.086 12.419 ( -2.565 1.567 3.817) 4.858 12.475 ( -4.217 -0.310 1.825) 4.606 12.921 ( 0.149 -2.447 -0.136) 2.456 12.966 ( -1.576 -2.961 0.362) 3.374 13.081 ( 1.691 3.938 2.319) 4.873 13.161 ( -0.137 -2.846 -0.526) 2.897 13.303 ( 2.619 0.188 1.983) 3.290 13.412 ( 0.415 -1.565 -1.273) 2.059 13.531 ( 3.570 6.568 -0.494) 7.492 13.706 ( 2.092 -3.196 -8.375) 9.204 13.860 ( 0.372 0.642 -4.769) 4.826 13.884 ( -1.658 2.878 -1.819) 3.787 13.903 ( 0.900 -0.597 2.816) 3.016 13.976 ( -0.679 0.022 4.475) 4.526 13.989 ( 2.322 2.545 4.672) 5.805 14.056 ( 0.761 -2.555 4.316) 5.073 14.129 ( 2.273 1.175 -1.586) 3.011 14.180 ( -2.933 1.320 -5.024) 5.966 14.232 ( -1.304 -2.719 -1.934) 3.582 14.319 ( -2.885 -3.624 -5.804) 7.425 14.423 ( -4.125 0.597 1.578) 4.457 14.439 ( -3.797 0.671 2.937) 4.847 15.222 ( 0.032 -3.662 -0.145) 3.665 15.235 ( 2.051 -1.801 -0.615) 2.798 15.433 ( 1.198 0.150 3.304) 3.518 15.475 ( -0.467 3.823 3.722) 5.356 15.543 ( 2.140 3.236 0.174) 3.884 15.753 ( -4.959 -2.675 -6.317) 8.465 15.904 ( -6.094 3.372 4.344) 8.208 16.003 ( -5.591 -1.042 -1.739) 5.947 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.38 0.25 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 2.578 -3.950 -4.685) 6.648 0.615 ( 1.439 -5.647 -7.468) 9.472 0.690 ( 0.867 3.052 -3.604) 4.802 0.752 ( 0.896 1.211 -3.015) 3.371 0.821 ( 0.591 7.096 -5.914) 9.256 0.875 ( 1.711 1.073 -1.457) 2.490 1.002 ( -1.413 -0.521 -2.753) 3.138 1.056 ( 1.697 1.977 -4.135) 4.888 1.086 ( 0.966 -3.261 -1.314) 3.646 1.115 ( -1.716 -0.571 -0.322) 1.837 1.196 ( -5.553 -0.170 -2.857) 6.247 1.207 ( -1.828 -1.383 -3.943) 4.561 1.232 ( -0.107 -1.052 -0.823) 1.340 1.274 ( -1.788 -0.789 0.570) 2.036 1.277 ( 0.664 -0.366 -2.525) 2.637 1.349 ( -1.581 -1.092 -2.300) 2.997 1.434 ( 1.223 0.528 0.109) 1.337 1.448 ( 1.983 1.833 -2.109) 3.427 1.493 ( 0.220 3.343 0.070) 3.351 1.532 ( -0.751 -0.884 -0.159) 1.171 1.552 ( -1.464 0.610 0.301) 1.614 1.587 ( 1.553 -2.644 -0.677) 3.140 1.609 ( -1.170 1.170 -0.857) 1.864 1.641 ( -0.920 -0.559 -0.225) 1.099 1.653 ( -1.393 -0.310 -0.552) 1.530 1.691 ( -1.107 -0.324 -0.194) 1.170 1.722 ( 0.997 -2.941 -1.370) 3.394 1.730 ( -1.806 0.601 -1.735) 2.575 1.747 ( -0.280 0.483 0.592) 0.814 1.765 ( 1.345 -2.154 -2.919) 3.869 1.814 ( 1.225 2.032 0.571) 2.441 1.839 ( -3.630 -1.393 1.992) 4.369 1.878 ( -1.140 0.026 3.032) 3.239 1.930 ( -0.101 -2.254 -1.814) 2.896 1.955 ( -0.637 -0.579 -2.394) 2.544 2.035 ( -2.348 -2.487 -2.830) 4.439 2.046 ( -0.858 1.224 -1.459) 2.089 2.075 ( 2.331 0.079 1.181) 2.614 2.087 ( 0.248 1.789 1.410) 2.292 2.125 ( 1.290 2.151 1.395) 2.870 2.135 ( -1.116 -0.882 0.033) 1.423 2.198 ( -1.608 -0.048 -1.340) 2.094 2.206 ( 2.322 1.673 2.018) 3.501 2.218 ( -1.757 0.492 1.062) 2.111 2.238 ( 1.440 1.189 1.758) 2.565 2.263 ( 0.573 0.373 -1.198) 1.380 2.395 ( -0.770 4.888 3.326) 5.962 2.427 ( 2.480 2.956 5.485) 6.706 2.449 ( 1.116 -1.124 2.481) 2.943 2.465 ( 1.531 1.448 2.811) 3.513 2.519 ( -0.862 2.028 2.497) 3.330 2.577 ( 2.146 2.146 3.110) 4.345 2.603 ( 3.862 -2.463 3.909) 6.021 2.611 ( -1.911 -1.691 3.808) 4.584 2.637 ( -0.233 -1.685 -1.486) 2.259 2.730 ( -1.279 -0.759 3.476) 3.781 2.750 ( 2.250 -0.359 1.710) 2.849 2.769 ( 0.449 0.233 1.775) 1.845 2.793 ( 0.106 -0.560 -2.972) 3.026 2.821 ( -2.579 -0.174 2.715) 3.749 2.860 ( -2.172 5.369 1.226) 5.920 2.940 ( -4.124 2.446 3.248) 5.792 3.023 ( 7.671 -1.401 -0.886) 7.848 3.160 ( 3.182 0.007 -1.814) 3.663 3.221 ( 4.171 -2.462 -3.505) 5.979 3.253 ( -3.764 -3.494 -3.050) 5.973 3.354 ( 0.521 0.601 -1.107) 1.363 3.430 ( -1.811 -3.825 -0.808) 4.308 3.441 ( -0.808 -1.121 -1.962) 2.400 3.513 ( -5.711 1.607 0.594) 5.963 3.581 ( 1.227 -5.148 0.461) 5.313 3.787 ( 0.131 -4.750 0.595) 4.789 3.870 ( 3.512 2.528 -2.062) 4.794 3.900 ( 0.262 0.832 0.435) 0.975 3.983 ( -1.239 1.871 0.066) 2.246 4.054 ( -2.435 -0.030 -2.318) 3.362 4.229 ( 1.995 0.991 1.503) 2.687 4.285 ( -0.524 2.956 -0.714) 3.086 4.306 ( -1.670 2.121 -2.899) 3.962 4.443 ( 3.799 -4.352 -0.304) 5.785 4.473 ( -1.180 5.027 -0.225) 5.168 4.589 ( -1.467 -0.318 3.102) 3.446 4.595 ( -1.282 1.761 -0.735) 2.298 4.689 ( -4.457 -2.742 -2.032) 5.614 7.226 ( 2.333 0.239 0.106) 2.348 7.272 ( 1.194 -1.564 -1.919) 2.748 7.299 ( 0.280 -0.154 0.777) 0.840 7.335 ( -1.146 -0.372 -1.126) 1.649 7.489 ( 1.645 1.490 -0.678) 2.320 7.585 ( 1.688 5.731 1.129) 6.080 7.653 ( 1.661 -5.883 2.295) 6.530 7.781 ( 0.873 -2.113 2.199) 3.172 10.381 ( 1.425 1.780 0.719) 2.391 10.459 ( -0.446 0.035 -2.764) 2.800 10.589 ( -5.675 -2.438 -0.172) 6.179 10.653 ( -4.247 -2.335 0.062) 4.847 11.208 ( -1.930 7.447 -1.766) 7.893 11.259 ( -2.991 7.336 -1.007) 7.986 11.560 ( 3.482 -7.043 4.401) 9.005 11.630 ( -0.552 -8.908 0.328) 8.931 12.136 ( 6.137 3.481 1.141) 7.147 12.183 ( 5.071 1.320 -1.551) 5.464 12.363 ( -3.716 1.550 2.143) 4.561 12.391 ( -4.305 1.320 1.946) 4.906 12.893 ( -2.997 -4.428 -1.161) 5.472 12.936 ( -0.357 -6.021 -1.608) 6.242 13.082 ( -0.864 3.878 2.505) 4.697 13.174 ( 0.535 0.950 0.378) 1.154 13.339 ( 1.506 1.173 -0.948) 2.131 13.459 ( 4.422 -0.336 1.075) 4.563 13.594 ( 1.919 6.711 1.693) 7.183 13.699 ( -2.440 0.650 -3.023) 3.939 13.844 ( -1.364 0.193 -2.026) 2.450 13.865 ( -0.587 1.324 -2.533) 2.917 13.909 ( -0.202 -2.280 0.470) 2.336 13.954 ( -0.619 -0.048 -0.113) 0.631 14.045 ( 1.123 1.488 2.329) 2.983 14.078 ( -0.211 -2.698 -0.668) 2.788 14.108 ( 0.207 -0.762 0.381) 0.877 14.168 ( 0.833 -0.041 -2.412) 2.552 14.223 ( 0.522 1.023 -1.509) 1.897 14.306 ( 0.252 -2.766 -3.371) 4.367 14.341 ( -4.038 1.028 1.771) 4.527 14.385 ( -1.759 0.129 2.497) 3.057 15.223 ( 0.067 -4.829 -0.051) 4.830 15.278 ( 2.145 -5.530 -2.016) 6.265 15.441 ( -0.683 3.844 4.319) 5.822 15.482 ( 2.100 1.738 0.325) 2.745 15.602 ( 3.208 -1.440 0.177) 3.521 15.650 ( -5.243 -0.761 -4.005) 6.642 15.814 ( -3.449 4.879 3.428) 6.888 15.896 ( -5.008 1.103 0.109) 5.129 ======================= Grid point 103 (40/60) ======================= q-point: (-0.50 0.25 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.595 ( 0.000 -4.081 -5.821) 7.109 0.641 ( 0.000 -8.666 -14.281) 16.704 0.683 ( 0.000 4.534 -4.057) 6.084 0.789 ( 0.000 0.749 -2.053) 2.185 0.805 ( -0.000 5.874 -4.781) 7.574 0.923 ( 0.000 2.163 -7.839) 8.132 0.973 ( 0.000 5.172 -5.326) 7.424 1.042 ( 0.000 4.419 -2.441) 5.048 1.088 ( 0.000 -3.463 -1.503) 3.775 1.096 ( 0.000 -5.774 0.851) 5.837 1.162 ( 0.000 -1.622 -3.049) 3.454 1.184 ( 0.000 1.902 1.366) 2.342 1.242 ( 0.000 1.561 -1.278) 2.018 1.253 ( 0.000 -5.736 -6.099) 8.372 1.275 ( 0.000 1.805 0.846) 1.993 1.329 ( 0.000 0.066 -1.959) 1.960 1.470 ( 0.000 0.589 -0.061) 0.592 1.484 ( 0.000 -0.229 1.282) 1.302 1.488 ( -0.000 1.232 -2.552) 2.834 1.508 ( 0.000 -0.927 0.250) 0.960 1.535 ( 0.000 3.938 1.416) 4.185 1.553 ( -0.000 -0.672 0.062) 0.675 1.600 ( 0.000 -2.631 -0.778) 2.744 1.652 ( 0.000 -1.385 0.961) 1.685 1.667 ( 0.000 2.445 0.026) 2.445 1.668 ( -0.000 0.107 -1.152) 1.157 1.706 ( 0.000 -2.545 1.519) 2.964 1.745 ( -0.000 0.507 -1.198) 1.301 1.749 ( 0.000 -1.861 -3.274) 3.766 1.791 ( -0.000 -0.762 -1.984) 2.125 1.792 ( 0.000 0.053 1.262) 1.263 1.849 ( -0.000 -1.321 1.038) 1.680 1.854 ( 0.000 -1.429 -0.849) 1.662 1.921 ( 0.000 -2.523 -1.503) 2.937 1.933 ( 0.000 1.278 -2.521) 2.826 2.000 ( 0.000 -3.066 -3.554) 4.693 2.046 ( 0.000 1.113 -0.942) 1.458 2.091 ( 0.000 1.390 0.531) 1.488 2.108 ( 0.000 -0.190 0.620) 0.648 2.108 ( -0.000 -0.453 0.542) 0.707 2.152 ( 0.000 -0.132 -0.004) 0.132 2.174 ( 0.000 1.947 0.190) 1.956 2.194 ( -0.000 0.795 1.038) 1.307 2.237 ( 0.000 1.305 2.029) 2.412 2.258 ( 0.000 2.040 1.223) 2.379 2.276 ( 0.000 0.773 0.864) 1.159 2.375 ( 0.000 5.471 2.501) 6.016 2.451 ( 0.000 0.148 3.116) 3.120 2.452 ( -0.000 5.710 1.725) 5.965 2.497 ( 0.000 2.209 1.366) 2.598 2.537 ( -0.000 -2.350 7.403) 7.767 2.546 ( 0.000 -0.909 4.257) 4.353 2.613 ( 0.000 -0.975 0.177) 0.991 2.631 ( 0.000 1.192 1.438) 1.867 2.669 ( 0.000 -4.248 5.513) 6.960 2.697 ( 0.000 0.584 3.931) 3.974 2.754 ( 0.000 -2.372 1.007) 2.577 2.779 ( 0.000 1.821 -1.031) 2.093 2.800 ( 0.000 2.598 6.671) 7.159 2.802 ( -0.000 -2.773 -0.801) 2.886 2.853 ( -0.000 6.251 0.722) 6.292 2.875 ( 0.000 1.026 3.182) 3.343 3.152 ( 0.000 -1.279 0.588) 1.408 3.163 ( -0.000 -5.474 -2.295) 5.936 3.236 ( 0.000 -1.146 -6.685) 6.783 3.280 ( 0.000 -7.797 -4.054) 8.788 3.330 ( 0.000 3.228 0.067) 3.228 3.392 ( 0.000 -1.231 -0.015) 1.231 3.409 ( 0.000 -0.020 1.747) 1.747 3.472 ( 0.000 5.463 -1.018) 5.557 3.603 ( 0.000 -7.666 -2.014) 7.927 3.777 ( 0.000 -5.376 3.276) 6.295 3.906 ( 0.000 1.009 -0.731) 1.246 3.924 ( 0.000 -2.055 -3.618) 4.161 3.949 ( 0.000 4.345 -0.254) 4.352 4.029 ( 0.000 0.783 -1.796) 1.959 4.261 ( 0.000 7.523 0.635) 7.550 4.267 ( -0.000 -0.756 -0.303) 0.814 4.294 ( 0.000 0.797 -2.281) 2.417 4.438 ( 0.000 3.347 0.107) 3.349 4.521 ( 0.000 0.072 0.653) 0.657 4.558 ( 0.000 -0.532 1.046) 1.173 4.610 ( 0.000 -1.741 -1.991) 2.644 4.612 ( -0.000 -1.738 -0.237) 1.754 7.254 ( 0.000 -0.792 -0.078) 0.796 7.284 ( 0.000 -1.614 -1.622) 2.288 7.300 ( 0.000 0.035 0.419) 0.420 7.317 ( 0.000 0.991 -0.829) 1.292 7.506 ( 0.000 1.246 -0.716) 1.437 7.602 ( 0.000 5.700 1.693) 5.946 7.670 ( 0.000 -6.101 2.220) 6.492 7.790 ( 0.000 -1.679 3.004) 3.442 10.402 ( 0.000 1.100 -0.941) 1.447 10.450 ( 0.000 3.303 -0.255) 3.313 10.530 ( 0.000 -4.887 -2.062) 5.304 10.610 ( 0.000 -3.104 -0.613) 3.164 11.190 ( 0.000 8.301 -1.584) 8.451 11.229 ( 0.000 8.217 -0.987) 8.276 11.604 ( 0.000 -8.555 1.987) 8.783 11.615 ( 0.000 -9.029 3.273) 9.604 12.228 ( -0.000 2.728 0.564) 2.785 12.265 ( 0.000 4.383 2.196) 4.903 12.278 ( 0.000 -0.366 -0.097) 0.379 12.336 ( 0.000 1.338 1.624) 2.104 12.857 ( 0.000 -4.800 -2.295) 5.321 12.935 ( 0.000 -7.127 -1.530) 7.289 13.071 ( 0.000 4.551 1.913) 4.937 13.176 ( 0.000 1.352 1.645) 2.129 13.357 ( 0.000 1.579 -2.219) 2.723 13.537 ( -0.000 -4.141 -0.240) 4.148 13.583 ( 0.000 10.187 2.767) 10.556 13.669 ( 0.000 2.501 2.294) 3.393 13.833 ( 0.000 -0.411 -3.122) 3.149 13.854 ( 0.000 2.169 -0.832) 2.323 13.900 ( 0.000 -3.347 -1.556) 3.691 13.952 ( 0.000 -1.065 -3.530) 3.687 14.030 ( 0.000 -0.462 -3.578) 3.608 14.083 ( 0.000 2.602 2.230) 3.427 14.133 ( 0.000 -3.689 -0.165) 3.692 14.184 ( 0.000 -0.660 -0.123) 0.671 14.234 ( 0.000 0.711 0.572) 0.912 14.280 ( 0.000 2.633 0.814) 2.756 14.316 ( 0.000 -2.278 -1.264) 2.605 14.369 ( 0.000 -0.287 1.956) 1.977 15.224 ( 0.000 -5.285 0.071) 5.285 15.301 ( 0.000 -7.765 -2.651) 8.205 15.431 ( 0.000 4.628 3.100) 5.570 15.532 ( 0.000 1.172 0.035) 1.172 15.562 ( 0.000 -0.754 -2.140) 2.269 15.652 ( 0.000 -4.275 -0.708) 4.333 15.773 ( 0.000 6.760 2.246) 7.124 15.842 ( 0.000 3.343 1.788) 3.791 ======================= Grid point 108 (41/60) ======================= q-point: ( 0.00 -0.50 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 -9.995 -0.146) 9.996 0.584 ( 0.000 9.995 -0.146) 9.996 0.643 ( 0.000 -5.223 8.677) 10.128 0.643 ( 0.000 5.223 8.677) 10.128 0.700 ( 0.000 -2.628 -1.781) 3.174 0.700 ( 0.000 2.628 -1.781) 3.174 0.976 ( 0.000 -1.444 -5.904) 6.078 0.976 ( 0.000 1.444 -5.904) 6.078 1.053 ( 0.000 -1.696 -3.268) 3.682 1.053 ( 0.000 1.696 -3.268) 3.682 1.213 ( 0.000 -0.907 4.772) 4.857 1.213 ( 0.000 0.907 4.772) 4.857 1.340 ( 0.000 -3.885 0.474) 3.914 1.340 ( 0.000 3.885 0.474) 3.914 1.431 ( 0.000 -6.702 1.409) 6.848 1.431 ( 0.000 6.702 1.409) 6.848 1.457 ( 0.000 -0.071 1.971) 1.973 1.457 ( 0.000 0.071 1.971) 1.973 1.553 ( 0.000 -4.158 -0.981) 4.272 1.553 ( 0.000 4.158 -0.981) 4.272 1.570 ( 0.000 -1.069 -2.010) 2.277 1.570 ( 0.000 1.069 -2.010) 2.277 1.591 ( 0.000 -1.352 -1.573) 2.074 1.591 ( 0.000 1.352 -1.573) 2.074 1.680 ( 0.000 -0.032 -3.257) 3.257 1.680 ( 0.000 0.032 -3.257) 3.257 1.760 ( 0.000 -0.223 1.691) 1.705 1.760 ( 0.000 0.223 1.691) 1.705 1.853 ( 0.000 -1.574 1.658) 2.286 1.853 ( 0.000 1.574 1.658) 2.286 1.880 ( 0.000 -3.132 2.535) 4.029 1.880 ( 0.000 3.132 2.535) 4.029 1.916 ( 0.000 -1.818 -0.747) 1.966 1.916 ( 0.000 1.818 -0.747) 1.966 2.015 ( 0.000 -0.693 -0.581) 0.904 2.015 ( 0.000 0.693 -0.581) 0.904 2.025 ( 0.000 -1.390 -3.276) 3.559 2.025 ( 0.000 1.390 -3.276) 3.559 2.065 ( 0.000 -1.500 3.175) 3.511 2.065 ( 0.000 1.500 3.175) 3.511 2.195 ( 0.000 -1.316 1.078) 1.701 2.195 ( 0.000 1.316 1.078) 1.701 2.274 ( 0.000 -1.543 0.746) 1.714 2.274 ( 0.000 1.543 0.746) 1.714 2.283 ( 0.000 -1.745 -0.169) 1.753 2.283 ( 0.000 1.745 -0.169) 1.753 2.335 ( 0.000 -0.104 -0.283) 0.302 2.335 ( 0.000 0.104 -0.283) 0.302 2.364 ( 0.000 -2.241 0.453) 2.286 2.364 ( 0.000 2.241 0.453) 2.286 2.499 ( 0.000 -1.270 3.411) 3.640 2.499 ( 0.000 1.270 3.411) 3.640 2.609 ( 0.000 -1.674 -7.309) 7.498 2.609 ( 0.000 1.674 -7.309) 7.498 2.625 ( 0.000 -1.015 -3.546) 3.688 2.625 ( 0.000 1.015 -3.546) 3.688 2.786 ( 0.000 -2.630 4.401) 5.127 2.786 ( 0.000 2.630 4.401) 5.127 2.845 ( 0.000 -4.452 2.052) 4.902 2.845 ( 0.000 4.452 2.052) 4.902 2.959 ( 0.000 -1.321 3.696) 3.925 2.959 ( 0.000 1.321 3.696) 3.925 3.057 ( 0.000 -0.967 -0.502) 1.090 3.057 ( 0.000 0.967 -0.502) 1.090 3.303 ( 0.000 -7.346 -4.774) 8.761 3.303 ( 0.000 7.346 -4.774) 8.761 3.350 ( 0.000 -5.638 4.389) 7.145 3.350 ( 0.000 5.638 4.389) 7.145 3.533 ( 0.000 -2.369 -2.839) 3.698 3.533 ( 0.000 2.369 -2.839) 3.698 3.675 ( 0.000 -6.743 -2.942) 7.357 3.675 ( 0.000 6.743 -2.942) 7.357 3.808 ( 0.000 -6.920 -0.850) 6.972 3.808 ( 0.000 6.920 -0.850) 6.972 4.034 ( 0.000 -5.367 2.909) 6.105 4.034 ( 0.000 5.367 2.909) 6.105 4.173 ( 0.000 -2.101 -1.460) 2.558 4.173 ( 0.000 2.101 -1.460) 2.558 4.435 ( 0.000 -4.204 2.091) 4.696 4.435 ( 0.000 4.204 2.091) 4.696 4.629 ( 0.000 -1.069 -3.917) 4.060 4.629 ( 0.000 1.069 -3.917) 4.060 4.749 ( 0.000 -4.030 0.756) 4.100 4.749 ( 0.000 4.030 0.756) 4.100 7.155 ( 0.000 -1.042 -1.903) 2.169 7.155 ( 0.000 1.042 -1.903) 2.169 7.231 ( 0.000 -2.369 0.179) 2.376 7.231 ( 0.000 2.369 0.179) 2.376 7.492 ( 0.000 -4.051 3.355) 5.260 7.492 ( 0.000 4.051 3.355) 5.260 7.601 ( 0.000 -5.474 -0.833) 5.537 7.601 ( 0.000 5.474 -0.833) 5.537 10.400 ( 0.000 -3.703 -0.516) 3.738 10.400 ( 0.000 3.703 -0.516) 3.738 10.953 ( 0.000 -0.382 4.237) 4.254 10.953 ( 0.000 0.382 4.237) 4.254 11.252 ( 0.000 -2.108 3.340) 3.950 11.252 ( 0.000 2.108 3.340) 3.950 11.622 ( 0.000 -4.468 -4.122) 6.079 11.622 ( 0.000 4.468 -4.122) 6.079 12.010 ( 0.000 -2.935 -3.404) 4.495 12.010 ( 0.000 2.935 -3.404) 4.495 12.527 ( 0.000 -2.765 2.470) 3.708 12.527 ( 0.000 2.765 2.470) 3.708 12.923 ( 0.000 -2.463 2.675) 3.636 12.923 ( 0.000 2.463 2.675) 3.636 13.055 ( 0.000 -4.903 3.388) 5.960 13.055 ( 0.000 4.903 3.388) 5.960 13.279 ( 0.000 -5.351 -1.414) 5.535 13.279 ( 0.000 5.351 -1.414) 5.535 13.591 ( 0.000 -5.540 -6.738) 8.723 13.591 ( 0.000 5.540 -6.738) 8.723 13.838 ( 0.000 -0.552 -1.096) 1.227 13.838 ( 0.000 0.552 -1.096) 1.227 13.959 ( 0.000 -3.086 4.139) 5.162 13.959 ( 0.000 3.086 4.139) 5.162 14.023 ( 0.000 -2.858 0.603) 2.921 14.023 ( 0.000 2.858 0.603) 2.921 14.145 ( 0.000 -5.551 -1.246) 5.689 14.145 ( 0.000 5.551 -1.246) 5.689 14.349 ( 0.000 -3.166 -1.651) 3.571 14.349 ( 0.000 3.166 -1.651) 3.571 14.532 ( 0.000 -1.535 1.434) 2.100 14.532 ( 0.000 1.535 1.434) 2.100 15.211 ( 0.000 -0.201 -0.556) 0.591 15.211 ( 0.000 0.201 -0.556) 0.591 15.423 ( 0.000 -1.729 4.542) 4.860 15.423 ( 0.000 1.729 4.542) 4.860 15.732 ( 0.000 -8.723 -2.147) 8.983 15.732 ( 0.000 8.723 -2.147) 8.983 16.106 ( 0.000 -0.328 -4.625) 4.637 16.106 ( 0.000 0.328 -4.625) 4.637 ======================= Grid point 110 (42/60) ======================= q-point: ( 0.12 -0.50 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.561 ( -2.113 -6.756 -0.579) 7.102 0.561 ( -2.113 6.756 -0.579) 7.102 0.668 ( 2.578 -5.076 2.633) 6.272 0.668 ( 2.578 5.076 2.633) 6.272 0.753 ( 4.819 -2.176 1.357) 5.459 0.753 ( 4.819 2.176 1.357) 5.459 0.974 ( 0.448 -0.669 -2.774) 2.888 0.974 ( 0.448 0.669 -2.774) 2.888 1.062 ( 0.163 -2.975 -3.444) 4.554 1.062 ( 0.163 2.975 -3.444) 4.554 1.220 ( 0.812 -2.241 1.469) 2.800 1.220 ( 0.812 2.241 1.469) 2.800 1.321 ( -1.710 -2.969 0.886) 3.539 1.321 ( -1.710 2.969 0.886) 3.539 1.423 ( -2.953 -1.242 -0.171) 3.208 1.423 ( -2.953 1.242 -0.171) 3.208 1.437 ( 0.559 -3.982 0.784) 4.097 1.437 ( 0.559 3.982 0.784) 4.097 1.523 ( -2.115 -2.788 -5.367) 6.407 1.523 ( -2.115 2.788 -5.367) 6.407 1.574 ( -0.212 -1.202 -1.473) 1.912 1.574 ( -0.212 1.202 -1.473) 1.912 1.624 ( 1.693 -1.003 -0.576) 2.050 1.624 ( 1.693 1.003 -0.576) 2.050 1.669 ( 0.494 -1.543 1.066) 1.939 1.669 ( 0.494 1.543 1.066) 1.939 1.778 ( -1.360 -1.543 -0.217) 2.068 1.778 ( -1.360 1.543 -0.217) 2.068 1.830 ( -0.518 -0.614 0.281) 0.851 1.830 ( -0.518 0.614 0.281) 0.851 1.874 ( -0.630 -1.815 1.416) 2.387 1.874 ( -0.630 1.815 1.416) 2.387 1.919 ( 0.814 -2.143 1.503) 2.741 1.919 ( 0.814 2.143 1.503) 2.741 1.976 ( -2.479 -0.930 1.015) 2.836 1.976 ( -2.479 0.930 1.015) 2.836 2.051 ( -0.629 -1.102 2.155) 2.500 2.051 ( -0.629 1.102 2.155) 2.500 2.069 ( 2.331 -0.805 -2.559) 3.554 2.069 ( 2.331 0.805 -2.559) 3.554 2.194 ( -0.488 -1.158 0.504) 1.354 2.194 ( -0.488 1.158 0.504) 1.354 2.243 ( -1.525 -1.349 -1.621) 2.602 2.243 ( -1.525 1.349 -1.621) 2.602 2.286 ( 0.581 -1.974 2.255) 3.053 2.286 ( 0.581 1.974 2.255) 3.053 2.355 ( -0.639 -2.508 1.437) 2.960 2.355 ( -0.639 2.508 1.437) 2.960 2.397 ( 3.882 -0.629 0.864) 4.027 2.397 ( 3.882 0.629 0.864) 4.027 2.509 ( 1.378 -1.512 3.261) 3.849 2.509 ( 1.378 1.512 3.261) 3.849 2.607 ( -0.922 -1.925 -3.487) 4.088 2.607 ( -0.922 1.925 -3.487) 4.088 2.631 ( 1.119 -3.118 -3.647) 4.927 2.631 ( 1.119 3.118 -3.647) 4.927 2.755 ( -1.628 -2.770 1.810) 3.688 2.755 ( -1.628 2.770 1.810) 3.688 2.866 ( 0.265 -1.436 -0.867) 1.698 2.866 ( 0.265 1.436 -0.867) 1.698 2.932 ( -1.248 -2.540 6.312) 6.918 2.932 ( -1.248 2.540 6.312) 6.918 3.074 ( 1.110 -1.054 -1.194) 1.941 3.074 ( 1.110 1.054 -1.194) 1.941 3.276 ( -2.771 -5.959 -1.270) 6.694 3.276 ( -2.771 5.959 -1.270) 6.694 3.350 ( 0.250 -6.440 1.791) 6.689 3.350 ( 0.250 6.440 1.791) 6.689 3.520 ( -1.335 -2.926 -3.277) 4.592 3.520 ( -1.335 2.926 -3.277) 4.592 3.663 ( -0.525 -5.644 -3.826) 6.839 3.663 ( -0.525 5.644 -3.826) 6.839 3.839 ( 2.406 -4.971 1.079) 5.627 3.839 ( 2.406 4.971 1.079) 5.627 4.055 ( 1.580 -5.621 1.549) 6.040 4.055 ( 1.580 5.621 1.549) 6.040 4.176 ( 0.685 -2.776 -0.341) 2.879 4.176 ( 0.685 2.776 -0.341) 2.879 4.409 ( -2.276 -3.159 -0.330) 3.907 4.409 ( -2.276 3.159 -0.330) 3.907 4.624 ( -0.683 -1.587 -1.428) 2.241 4.624 ( -0.683 1.587 -1.428) 2.241 4.735 ( -1.503 -4.326 -0.001) 4.580 4.735 ( -1.503 4.326 -0.001) 4.580 7.172 ( 1.559 -1.741 -1.664) 2.869 7.172 ( 1.559 1.741 -1.664) 2.869 7.257 ( 2.303 -2.275 -0.177) 3.242 7.257 ( 2.303 2.275 -0.177) 3.242 7.497 ( 0.598 -4.052 2.558) 4.829 7.497 ( 0.598 4.052 2.558) 4.829 7.620 ( 1.867 -5.873 -0.321) 6.171 7.620 ( 1.867 5.873 -0.321) 6.171 10.403 ( 0.297 -3.512 -0.506) 3.561 10.403 ( 0.297 3.512 -0.506) 3.561 10.880 ( -6.631 -0.673 3.286) 7.431 10.880 ( -6.631 0.673 3.286) 7.431 11.295 ( 3.529 -1.609 3.191) 5.023 11.295 ( 3.529 1.609 3.191) 5.023 11.576 ( -4.225 -4.794 -3.700) 7.384 11.576 ( -4.225 4.794 -3.700) 7.384 12.029 ( 1.997 -2.556 -2.718) 4.232 12.029 ( 1.997 2.556 -2.718) 4.232 12.503 ( -2.210 -2.393 3.037) 4.454 12.503 ( -2.210 2.393 3.037) 4.454 12.932 ( 0.224 -2.167 1.103) 2.442 12.932 ( 0.224 2.167 1.103) 2.442 13.085 ( 2.559 -2.987 2.978) 4.934 13.085 ( 2.559 2.987 2.978) 4.934 13.304 ( 2.258 -5.404 -0.667) 5.895 13.304 ( 2.258 5.404 -0.667) 5.895 13.589 ( 0.534 -4.794 -5.948) 7.658 13.589 ( 0.534 4.794 -5.948) 7.658 13.857 ( 1.748 -0.826 -1.190) 2.270 13.857 ( 1.748 0.826 -1.190) 2.270 13.970 ( 0.537 -2.313 3.159) 3.952 13.970 ( 0.537 2.313 3.159) 3.952 14.011 ( -0.640 -2.633 1.770) 3.237 14.011 ( -0.640 2.633 1.770) 3.237 14.153 ( 0.622 -5.065 -0.842) 5.172 14.153 ( 0.622 5.065 -0.842) 5.172 14.310 ( -3.669 -3.927 -2.753) 6.038 14.310 ( -3.669 3.927 -2.753) 6.038 14.503 ( -2.763 -1.043 1.693) 3.404 14.503 ( -2.763 1.043 1.693) 3.404 15.206 ( -0.503 -0.283 -0.959) 1.119 15.206 ( -0.503 0.283 -0.959) 1.119 15.437 ( 1.294 -2.140 4.317) 4.989 15.437 ( 1.294 2.140 4.317) 4.989 15.711 ( -2.063 -8.234 -2.464) 8.839 15.711 ( -2.063 8.234 -2.464) 8.839 16.061 ( -4.220 -1.548 -2.825) 5.309 16.061 ( -4.220 1.548 -2.825) 5.309 ======================= Grid point 112 (43/60) ======================= q-point: ( 0.25 -0.50 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -0.974 -3.276 -5.198) 6.221 0.527 ( -0.974 3.276 -5.198) 6.221 0.721 ( 2.645 -2.844 -0.443) 3.909 0.721 ( 2.645 2.844 -0.443) 3.909 0.847 ( 4.161 -1.034 1.294) 4.478 0.847 ( 4.161 1.034 1.294) 4.478 0.999 ( 1.195 -2.298 1.042) 2.791 0.999 ( 1.195 2.298 1.042) 2.791 1.061 ( 1.000 -1.422 -4.445) 4.773 1.061 ( 1.000 1.422 -4.445) 4.773 1.236 ( 0.414 -0.726 -1.481) 1.701 1.236 ( 0.414 0.726 -1.481) 1.701 1.274 ( -3.881 -1.866 -1.952) 4.728 1.274 ( -3.881 1.866 -1.952) 4.728 1.352 ( -3.393 -1.200 -2.635) 4.460 1.352 ( -3.393 1.200 -2.635) 4.460 1.450 ( 0.601 -4.849 -0.533) 4.915 1.450 ( 0.601 4.849 -0.533) 4.915 1.511 ( 1.187 -1.659 -2.337) 3.102 1.511 ( 1.187 1.659 -2.337) 3.102 1.569 ( -0.527 -1.466 -1.768) 2.357 1.569 ( -0.527 1.466 -1.768) 2.357 1.622 ( -0.764 -0.814 0.630) 1.282 1.622 ( -0.764 0.814 0.630) 1.282 1.692 ( 0.506 -1.095 0.549) 1.326 1.692 ( 0.506 1.095 0.549) 1.326 1.721 ( -2.901 -2.466 -1.891) 4.251 1.721 ( -2.901 2.466 -1.891) 4.251 1.798 ( -2.869 -0.892 -1.142) 3.215 1.798 ( -2.869 0.892 -1.142) 3.215 1.864 ( -0.790 -2.169 0.974) 2.506 1.864 ( -0.790 2.169 0.974) 2.506 1.913 ( -2.417 -1.710 -0.067) 2.962 1.913 ( -2.417 1.710 -0.067) 2.962 1.970 ( 2.295 -3.364 3.322) 5.255 1.970 ( 2.295 3.364 3.322) 5.255 2.054 ( 0.686 -2.030 0.636) 2.235 2.054 ( 0.686 2.030 0.636) 2.235 2.107 ( 1.703 -0.597 -0.608) 1.905 2.107 ( 1.703 0.597 -0.608) 1.905 2.176 ( -0.791 -0.401 -0.236) 0.918 2.176 ( -0.791 0.401 -0.236) 0.918 2.234 ( -0.400 -1.333 0.256) 1.415 2.234 ( -0.400 1.333 0.256) 1.415 2.268 ( -1.807 -1.707 -0.329) 2.508 2.268 ( -1.807 1.707 -0.329) 2.508 2.373 ( 2.670 -1.948 6.284) 7.100 2.373 ( 2.670 1.948 6.284) 7.100 2.452 ( 1.933 -1.455 2.482) 3.466 2.452 ( 1.933 1.455 2.482) 3.466 2.549 ( 1.775 -1.957 0.826) 2.769 2.549 ( 1.775 1.957 0.826) 2.769 2.597 ( 0.255 -1.896 0.636) 2.016 2.597 ( 0.255 1.896 0.636) 2.016 2.645 ( 0.323 -4.146 0.462) 4.184 2.645 ( 0.323 4.146 0.462) 4.184 2.743 ( 0.111 -1.835 -0.610) 1.937 2.743 ( 0.111 1.835 -0.610) 1.937 2.841 ( -1.481 -1.888 -1.109) 2.643 2.841 ( -1.481 1.888 -1.109) 2.643 2.940 ( 1.149 -2.592 5.539) 6.223 2.940 ( 1.149 2.592 5.539) 6.223 3.084 ( -0.314 -5.009 -3.428) 6.077 3.084 ( -0.314 5.009 -3.428) 6.077 3.216 ( -2.650 -4.860 0.703) 5.580 3.216 ( -2.650 4.860 0.703) 5.580 3.362 ( 0.924 -4.309 0.460) 4.431 3.362 ( 0.924 4.309 0.460) 4.431 3.486 ( -2.075 -3.599 -3.467) 5.411 3.486 ( -2.075 3.599 -3.467) 5.411 3.661 ( -0.050 -5.357 -2.780) 6.036 3.661 ( -0.050 5.357 -2.780) 6.036 3.881 ( 1.769 -2.289 1.470) 3.245 3.881 ( 1.769 2.289 1.470) 3.245 4.063 ( -1.010 -3.761 -0.508) 3.927 4.063 ( -1.010 3.761 -0.508) 3.927 4.215 ( 3.148 -4.780 1.413) 5.896 4.215 ( 3.148 4.780 1.413) 5.896 4.370 ( -1.224 -1.435 -3.031) 3.570 4.370 ( -1.224 1.435 -3.031) 3.570 4.599 ( -1.904 -2.724 0.972) 3.463 4.599 ( -1.904 2.724 0.972) 3.463 4.692 ( -2.873 -4.018 -0.589) 4.975 4.692 ( -2.873 4.018 -0.589) 4.975 7.207 ( 1.941 -1.775 -1.215) 2.898 7.207 ( 1.941 1.775 -1.215) 2.898 7.298 ( 1.629 -1.941 -0.348) 2.558 7.298 ( 1.629 1.941 -0.348) 2.558 7.517 ( 1.469 -4.196 1.245) 4.617 7.517 ( 1.469 4.196 1.245) 4.617 7.663 ( 2.368 -5.902 0.798) 6.409 7.663 ( 2.368 5.902 0.798) 6.409 10.411 ( 0.636 -3.097 -0.638) 3.225 10.411 ( 0.636 3.097 -0.638) 3.225 10.734 ( -8.011 -1.351 1.467) 8.255 10.734 ( -8.011 1.351 1.467) 8.255 11.356 ( 2.530 -4.588 2.281) 5.715 11.356 ( 2.530 4.588 2.281) 5.715 11.491 ( -3.971 -6.813 -2.427) 8.251 11.491 ( -3.971 6.813 -2.427) 8.251 12.089 ( 4.300 -1.929 -1.205) 4.864 12.089 ( 4.300 1.929 -1.205) 4.864 12.455 ( -2.707 -1.735 3.115) 4.477 12.455 ( -2.707 1.735 3.115) 4.477 12.909 ( -2.551 -1.533 -1.358) 3.272 12.909 ( -2.551 1.533 -1.358) 3.272 13.135 ( 2.120 -1.607 2.959) 3.979 13.135 ( 2.120 1.607 2.959) 3.979 13.347 ( 2.209 -4.151 0.238) 4.708 13.347 ( 2.209 4.151 0.238) 4.708 13.633 ( 3.588 -4.175 -4.132) 6.883 13.633 ( 3.588 4.175 -4.132) 6.883 13.882 ( -0.033 -1.498 -1.608) 2.198 13.882 ( -0.033 1.498 -1.608) 2.198 13.955 ( -0.870 -3.517 1.226) 3.825 13.955 ( -0.870 3.517 1.226) 3.825 14.028 ( 1.455 -0.546 4.010) 4.301 14.028 ( 1.455 0.546 4.010) 4.301 14.150 ( -1.593 -2.420 -0.426) 2.929 14.150 ( -1.593 2.420 -0.426) 2.929 14.247 ( -1.376 -3.385 -4.237) 5.595 14.247 ( -1.376 3.385 -4.237) 5.595 14.438 ( -3.768 -0.662 2.067) 4.348 14.438 ( -3.768 0.662 2.067) 4.348 15.196 ( -0.438 -1.074 -2.037) 2.344 15.196 ( -0.438 1.074 -2.037) 2.344 15.466 ( 1.680 -2.477 3.698) 4.757 15.466 ( 1.680 2.477 3.698) 4.757 15.661 ( -2.911 -6.504 -2.770) 7.645 15.661 ( -2.911 6.504 -2.770) 7.645 15.969 ( -4.870 -2.661 0.127) 5.551 15.969 ( -4.870 2.661 0.127) 5.551 ======================= Grid point 114 (44/60) ======================= q-point: ( 0.38 -0.50 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.529 ( 0.934 -1.444 -9.992) 10.139 0.529 ( 0.934 1.444 -9.992) 10.139 0.760 ( 1.245 -2.152 -2.280) 3.373 0.760 ( 1.245 2.152 -2.280) 3.373 0.912 ( 3.015 -3.228 -1.481) 4.659 0.912 ( 3.015 3.228 -1.481) 4.659 0.992 ( -0.671 -5.117 -0.733) 5.213 0.992 ( -0.671 5.117 -0.733) 5.213 1.120 ( 3.652 -3.495 -5.002) 7.111 1.120 ( 3.652 3.495 -5.002) 7.111 1.158 ( -6.550 -2.078 -4.157) 8.032 1.158 ( -6.550 2.078 -4.157) 8.032 1.240 ( -0.678 -1.304 -1.416) 2.041 1.240 ( -0.678 1.304 -1.416) 2.041 1.321 ( -0.332 -2.316 0.528) 2.399 1.321 ( -0.332 2.316 0.528) 2.399 1.461 ( 0.726 -1.992 -0.936) 2.318 1.461 ( 0.726 1.992 -0.936) 2.318 1.525 ( -1.516 -1.324 0.587) 2.097 1.525 ( -1.516 1.324 0.587) 2.097 1.551 ( 0.552 -0.526 1.333) 1.536 1.551 ( 0.552 0.526 1.333) 1.536 1.633 ( -3.016 -0.917 -2.049) 3.760 1.633 ( -3.016 0.917 -2.049) 3.760 1.652 ( 1.493 -1.652 0.653) 2.320 1.652 ( 1.493 1.652 0.653) 2.320 1.712 ( 1.141 -2.410 -4.025) 4.828 1.712 ( 1.141 2.410 -4.025) 4.828 1.761 ( -1.342 -0.351 -1.303) 1.903 1.761 ( -1.342 0.351 -1.303) 1.903 1.826 ( -2.033 -0.591 0.236) 2.130 1.826 ( -2.033 0.591 0.236) 2.130 1.892 ( -0.638 -1.935 0.129) 2.042 1.892 ( -0.638 1.935 0.129) 2.042 1.978 ( -1.602 -2.366 -1.797) 3.375 1.978 ( -1.602 2.366 -1.797) 3.375 2.072 ( 1.067 -0.960 -0.336) 1.475 2.072 ( 1.067 0.960 -0.336) 1.475 2.112 ( -0.978 -1.004 -0.393) 1.456 2.112 ( -0.978 1.004 -0.393) 1.456 2.185 ( 0.353 -2.764 2.127) 3.506 2.185 ( 0.353 2.764 2.127) 3.506 2.207 ( -0.110 -0.901 0.801) 1.211 2.207 ( -0.110 0.901 0.801) 1.211 2.276 ( 1.539 -0.375 1.577) 2.235 2.276 ( 1.539 0.375 1.577) 2.235 2.431 ( 3.077 -0.329 5.253) 6.097 2.431 ( 3.077 0.329 5.253) 6.097 2.483 ( 1.327 -2.712 5.200) 6.013 2.483 ( 1.327 2.712 5.200) 6.013 2.563 ( -0.291 -1.530 1.592) 2.227 2.563 ( -0.291 1.530 1.592) 2.227 2.587 ( -1.275 -0.964 1.421) 2.138 2.587 ( -1.275 0.964 1.421) 2.138 2.659 ( 0.883 -5.123 1.427) 5.390 2.659 ( 0.883 5.123 1.427) 5.390 2.748 ( 0.429 -0.730 0.607) 1.042 2.748 ( 0.429 0.730 0.607) 1.042 2.827 ( -0.402 -0.690 3.792) 3.875 2.827 ( -0.402 0.690 3.792) 3.875 2.966 ( 1.632 -4.034 1.234) 4.523 2.966 ( 1.632 4.034 1.234) 4.523 3.052 ( -2.694 -10.092 -2.389) 10.715 3.052 ( -2.694 10.092 -2.389) 10.715 3.204 ( 1.174 -2.610 -3.390) 4.437 3.204 ( 1.174 2.610 -3.390) 4.437 3.376 ( -0.000 -1.857 -1.336) 2.288 3.376 ( -0.000 1.857 -1.336) 2.288 3.457 ( -0.251 -3.241 -1.104) 3.433 3.457 ( -0.251 3.241 -1.104) 3.433 3.648 ( -1.432 -7.302 0.183) 7.444 3.648 ( -1.432 7.302 0.183) 7.444 3.905 ( 0.725 -0.490 -0.643) 1.086 3.905 ( 0.725 0.490 -0.643) 1.086 4.034 ( -1.431 -2.264 -1.172) 2.924 4.034 ( -1.431 2.264 -1.172) 2.924 4.264 ( 1.397 -3.593 -0.587) 3.899 4.264 ( 1.397 3.593 -0.587) 3.899 4.380 ( 2.245 -3.720 -1.302) 4.536 4.380 ( 2.245 3.720 -1.302) 4.536 4.562 ( -1.468 -3.085 0.970) 3.552 4.562 ( -1.468 3.085 0.970) 3.552 4.629 ( -3.650 -2.424 -0.203) 4.386 4.629 ( -3.650 2.424 -0.203) 4.386 7.241 ( 1.443 -1.328 -0.967) 2.186 7.241 ( 1.443 1.328 -0.967) 2.186 7.314 ( 0.185 -1.449 -0.323) 1.496 7.314 ( 0.185 1.449 -0.323) 1.496 7.547 ( 1.423 -4.354 0.684) 4.631 7.547 ( 1.423 4.354 0.684) 4.631 7.702 ( 1.476 -5.514 2.016) 6.054 7.702 ( 1.476 5.514 2.016) 6.054 10.428 ( 1.143 -2.721 -1.119) 3.156 10.428 ( 1.143 2.721 -1.119) 3.156 10.595 ( -5.965 -2.589 -0.038) 6.503 10.595 ( -5.965 2.589 -0.038) 6.503 11.388 ( 0.968 -9.625 1.029) 9.728 11.388 ( 0.968 9.625 1.029) 9.728 11.435 ( -1.947 -9.890 -0.700) 10.105 11.435 ( -1.947 9.890 -0.700) 10.105 12.186 ( 5.513 -1.274 0.249) 5.664 12.186 ( 5.513 1.274 0.249) 5.664 12.395 ( -3.647 -1.057 2.593) 4.598 12.395 ( -3.647 1.057 2.593) 4.598 12.856 ( -2.380 -1.346 -2.438) 3.663 12.856 ( -2.380 1.346 -2.438) 3.663 13.154 ( 0.040 -2.918 2.909) 4.120 13.154 ( 0.040 2.918 2.909) 4.120 13.399 ( 3.101 -4.377 -0.531) 5.390 13.399 ( 3.101 4.377 -0.531) 5.390 13.687 ( 1.388 -2.319 -0.117) 2.705 13.687 ( 1.388 2.319 -0.117) 2.705 13.861 ( -1.251 -1.650 -2.705) 3.406 13.861 ( -1.251 1.650 -2.705) 3.406 13.947 ( -0.867 -3.917 0.927) 4.118 13.947 ( -0.867 3.917 0.927) 4.118 14.033 ( -0.374 -2.228 -0.011) 2.259 14.033 ( -0.374 2.228 -0.011) 2.259 14.131 ( 0.449 -2.644 0.670) 2.765 14.131 ( 0.449 2.644 0.670) 2.765 14.256 ( 1.200 -2.196 -2.041) 3.230 14.256 ( 1.200 2.196 -2.041) 3.230 14.371 ( -2.894 -1.549 2.031) 3.860 14.371 ( -2.894 1.549 2.031) 3.860 15.190 ( -0.157 -2.027 -3.252) 3.835 15.190 ( -0.157 2.027 -3.252) 3.835 15.496 ( 1.313 -1.808 2.634) 3.454 15.496 ( 1.313 1.808 2.634) 3.454 15.609 ( -2.276 -2.888 -2.260) 4.316 15.609 ( -2.276 2.888 -2.260) 4.316 15.890 ( -3.019 -2.192 1.955) 4.212 15.890 ( -3.019 2.192 1.955) 4.212 ======================= Grid point 116 (45/60) ======================= q-point: (-0.50 -0.50 0.33) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 -0.741 -12.496) 12.518 0.543 ( 0.000 0.741 -12.496) 12.518 0.769 ( 0.000 -3.033 -2.640) 4.021 0.769 ( 0.000 3.033 -2.640) 4.021 0.946 ( 0.000 -7.374 -3.187) 8.034 0.946 ( 0.000 7.374 -3.187) 8.034 1.011 ( 0.000 -4.740 -3.801) 6.076 1.011 ( 0.000 4.740 -3.801) 6.076 1.057 ( 0.000 -2.972 -2.687) 4.007 1.057 ( -0.000 2.972 -2.687) 4.007 1.168 ( 0.000 -2.434 -5.622) 6.126 1.168 ( 0.000 2.434 -5.622) 6.126 1.224 ( 0.000 -2.053 -1.416) 2.493 1.224 ( 0.000 2.053 -1.416) 2.493 1.321 ( 0.000 -2.213 2.437) 3.292 1.321 ( 0.000 2.213 2.437) 3.292 1.487 ( 0.000 -1.101 0.939) 1.447 1.487 ( 0.000 1.101 0.939) 1.447 1.492 ( -0.000 -1.642 2.628) 3.099 1.492 ( -0.000 1.642 2.628) 3.099 1.542 ( 0.000 -2.609 -3.324) 4.226 1.542 ( 0.000 2.609 -3.324) 4.226 1.606 ( 0.000 -3.072 2.368) 3.879 1.606 ( 0.000 3.072 2.368) 3.879 1.677 ( 0.000 -0.683 -0.077) 0.687 1.677 ( 0.000 0.683 -0.077) 0.687 1.727 ( 0.000 -2.762 -0.490) 2.805 1.727 ( 0.000 2.762 -0.490) 2.805 1.753 ( 0.000 -2.307 -6.289) 6.699 1.753 ( 0.000 2.307 -6.289) 6.699 1.809 ( 0.000 -2.041 -0.288) 2.061 1.809 ( 0.000 2.041 -0.288) 2.061 1.875 ( 0.000 -2.181 -0.081) 2.182 1.875 ( 0.000 2.181 -0.081) 2.182 1.952 ( 0.000 -1.056 -4.018) 4.155 1.952 ( 0.000 1.056 -4.018) 4.155 2.082 ( 0.000 -2.122 -0.505) 2.181 2.082 ( 0.000 2.122 -0.505) 2.181 2.102 ( 0.000 -0.556 0.652) 0.857 2.102 ( 0.000 0.556 0.652) 0.857 2.180 ( 0.000 -1.953 1.369) 2.385 2.180 ( 0.000 1.953 1.369) 2.385 2.218 ( 0.000 -1.756 1.117) 2.081 2.218 ( 0.000 1.756 1.117) 2.081 2.296 ( 0.000 -0.438 2.246) 2.288 2.296 ( 0.000 0.438 2.246) 2.288 2.483 ( -0.000 -3.698 2.888) 4.693 2.483 ( -0.000 3.698 2.888) 4.693 2.485 ( 0.000 -2.781 6.961) 7.496 2.485 ( 0.000 2.781 6.961) 7.496 2.541 ( 0.000 -1.074 4.833) 4.951 2.541 ( 0.000 1.074 4.833) 4.951 2.582 ( 0.000 -1.263 0.953) 1.582 2.582 ( 0.000 1.263 0.953) 1.582 2.668 ( 0.000 -2.585 0.769) 2.697 2.668 ( 0.000 2.585 0.769) 2.697 2.754 ( 0.000 -1.792 1.527) 2.354 2.754 ( 0.000 1.792 1.527) 2.354 2.821 ( 0.000 -2.093 5.529) 5.912 2.821 ( 0.000 2.093 5.529) 5.912 2.997 ( 0.000 -11.179 0.333) 11.184 2.997 ( 0.000 11.179 0.333) 11.184 3.009 ( -0.000 -8.933 -1.495) 9.057 3.009 ( -0.000 8.933 -1.495) 9.057 3.224 ( 0.000 -1.392 -7.312) 7.443 3.224 ( 0.000 1.392 -7.312) 7.443 3.367 ( 0.000 -1.350 -1.529) 2.040 3.367 ( 0.000 1.350 -1.529) 2.040 3.467 ( 0.000 -5.642 0.122) 5.643 3.467 ( 0.000 5.642 0.122) 5.643 3.625 ( 0.000 -8.694 2.337) 9.003 3.625 ( 0.000 8.694 2.337) 9.003 3.911 ( 0.000 -0.251 -2.121) 2.136 3.911 ( 0.000 0.251 -2.121) 2.136 4.019 ( 0.000 -2.113 -1.306) 2.484 4.019 ( 0.000 2.113 -1.306) 2.484 4.274 ( 0.000 -1.958 -2.184) 2.934 4.274 ( 0.000 1.958 -2.184) 2.934 4.414 ( 0.000 -6.086 0.685) 6.124 4.414 ( 0.000 6.086 0.685) 6.124 4.563 ( 0.000 -3.052 0.900) 3.182 4.563 ( 0.000 3.052 0.900) 3.182 4.569 ( -0.000 -2.074 -0.418) 2.115 4.569 ( -0.000 2.074 -0.418) 2.115 7.256 ( 0.000 -0.961 -0.919) 1.330 7.256 ( 0.000 0.961 -0.919) 1.330 7.314 ( 0.000 -1.011 -0.349) 1.069 7.314 ( 0.000 1.011 -0.349) 1.069 7.562 ( 0.000 -4.388 0.646) 4.435 7.562 ( 0.000 4.388 0.646) 4.435 7.716 ( 0.000 -5.337 2.568) 5.923 7.716 ( 0.000 5.337 2.568) 5.923 10.447 ( 0.000 -3.376 -1.673) 3.768 10.447 ( 0.000 3.376 -1.673) 3.768 10.529 ( 0.000 -4.495 -0.352) 4.509 10.529 ( 0.000 4.495 -0.352) 4.509 11.400 ( 0.000 -11.860 0.478) 11.870 11.400 ( 0.000 11.860 0.478) 11.870 11.414 ( 0.000 -10.064 0.120) 10.065 11.414 ( 0.000 10.064 0.120) 10.065 12.269 ( 0.000 -1.101 0.627) 1.267 12.269 ( 0.000 1.101 0.627) 1.267 12.333 ( 0.000 -1.963 2.599) 3.257 12.333 ( 0.000 1.963 2.599) 3.257 12.832 ( 0.000 -2.534 -2.830) 3.799 12.832 ( 0.000 2.534 -2.830) 3.799 13.151 ( 0.000 -3.253 2.854) 4.327 13.151 ( 0.000 3.253 2.854) 4.327 13.436 ( 0.000 -5.504 -1.433) 5.687 13.436 ( 0.000 5.504 -1.433) 5.687 13.694 ( 0.000 -0.977 2.786) 2.952 13.694 ( 0.000 0.977 2.786) 2.952 13.845 ( 0.000 -1.925 -2.478) 3.138 13.845 ( 0.000 1.925 -2.478) 3.138 13.934 ( 0.000 -3.477 -2.186) 4.107 13.934 ( 0.000 3.477 -2.186) 4.107 14.033 ( 0.000 -3.832 -1.031) 3.968 14.033 ( 0.000 3.832 -1.031) 3.968 14.140 ( 0.000 -2.987 2.477) 3.881 14.140 ( 0.000 2.987 2.477) 3.881 14.271 ( 0.000 -2.316 -1.342) 2.677 14.271 ( 0.000 2.316 -1.342) 2.677 14.340 ( 0.000 -2.774 1.816) 3.316 14.340 ( 0.000 2.774 1.816) 3.316 15.189 ( 0.000 -2.499 -3.805) 4.553 15.189 ( 0.000 2.499 -3.805) 4.553 15.511 ( 0.000 -3.012 1.742) 3.480 15.511 ( 0.000 3.012 1.742) 3.480 15.584 ( 0.000 -2.524 -1.521) 2.947 15.584 ( 0.000 2.524 -1.521) 2.947 15.861 ( 0.000 -1.750 2.532) 3.078 15.861 ( 0.000 1.750 2.532) 3.078 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 0.000 -4.399) 4.399 0.601 ( 0.000 0.000 4.399) 4.399 0.737 ( 0.000 0.000 -4.430) 4.430 0.737 ( 0.000 0.000 4.430) 4.430 0.859 ( 0.000 0.000 -8.857) 8.857 0.859 ( 0.000 0.000 8.857) 8.857 0.949 ( 0.000 0.000 -1.035) 1.035 0.949 ( 0.000 0.000 1.035) 1.035 1.087 ( 0.000 0.000 -1.018) 1.018 1.087 ( 0.000 0.000 1.018) 1.018 1.212 ( 0.000 0.000 -1.304) 1.304 1.212 ( 0.000 0.000 1.304) 1.304 1.322 ( 0.000 0.000 -4.643) 4.643 1.322 ( 0.000 0.000 4.643) 4.643 1.339 ( 0.000 0.000 -6.432) 6.432 1.339 ( 0.000 0.000 6.432) 6.432 1.422 ( 0.000 0.000 -1.757) 1.757 1.422 ( 0.000 0.000 1.757) 1.757 1.561 ( 0.000 0.000 -4.945) 4.945 1.561 ( 0.000 0.000 4.945) 4.945 1.565 ( 0.000 0.000 -3.297) 3.297 1.565 ( 0.000 0.000 3.297) 3.297 1.667 ( 0.000 0.000 -3.610) 3.610 1.667 ( 0.000 0.000 3.610) 3.610 1.737 ( 0.000 0.000 -0.608) 0.608 1.737 ( 0.000 0.000 0.608) 0.608 1.747 ( 0.000 0.000 -0.476) 0.476 1.747 ( 0.000 0.000 0.476) 0.476 1.823 ( 0.000 0.000 -4.745) 4.745 1.823 ( 0.000 0.000 4.745) 4.745 1.831 ( 0.000 0.000 -4.950) 4.950 1.831 ( 0.000 0.000 4.950) 4.950 1.925 ( 0.000 0.000 -4.493) 4.493 1.925 ( 0.000 0.000 4.493) 4.493 2.002 ( 0.000 0.000 -0.180) 0.180 2.002 ( 0.000 0.000 0.180) 0.180 2.017 ( 0.000 0.000 -3.624) 3.624 2.017 ( 0.000 0.000 3.624) 3.624 2.146 ( 0.000 0.000 -0.320) 0.320 2.146 ( 0.000 0.000 0.320) 0.320 2.172 ( 0.000 0.000 -2.367) 2.367 2.172 ( 0.000 0.000 2.367) 2.367 2.218 ( 0.000 0.000 -0.647) 0.647 2.218 ( 0.000 0.000 0.647) 0.647 2.266 ( 0.000 0.000 -3.252) 3.252 2.266 ( 0.000 0.000 3.252) 3.252 2.329 ( 0.000 0.000 -3.402) 3.402 2.329 ( 0.000 0.000 3.402) 3.402 2.399 ( 0.000 0.000 -5.260) 5.260 2.399 ( 0.000 0.000 5.260) 5.260 2.498 ( 0.000 0.000 -1.294) 1.294 2.498 ( 0.000 0.000 1.294) 1.294 2.588 ( 0.000 0.000 -4.644) 4.644 2.588 ( 0.000 0.000 4.644) 4.644 2.632 ( 0.000 0.000 -3.247) 3.247 2.632 ( 0.000 0.000 3.247) 3.247 2.723 ( 0.000 0.000 -3.672) 3.672 2.723 ( 0.000 0.000 3.672) 3.672 2.862 ( 0.000 0.000 -2.802) 2.802 2.862 ( 0.000 0.000 2.802) 2.802 2.930 ( 0.000 0.000 -2.083) 2.083 2.930 ( 0.000 0.000 2.083) 2.083 3.130 ( 0.000 0.000 -3.365) 3.365 3.130 ( 0.000 0.000 3.365) 3.365 3.284 ( 0.000 0.000 -1.361) 1.361 3.284 ( 0.000 0.000 1.361) 1.361 3.316 ( 0.000 0.000 -7.103) 7.103 3.316 ( 0.000 0.000 7.103) 7.103 3.536 ( 0.000 0.000 -0.488) 0.488 3.536 ( 0.000 0.000 0.488) 0.488 3.588 ( 0.000 0.000 -1.765) 1.765 3.588 ( 0.000 0.000 1.765) 1.765 3.883 ( 0.000 0.000 -5.762) 5.762 3.883 ( 0.000 0.000 5.762) 5.762 4.040 ( 0.000 0.000 -7.159) 7.159 4.040 ( 0.000 0.000 7.159) 7.159 4.298 ( 0.000 0.000 -5.308) 5.308 4.298 ( 0.000 0.000 5.308) 5.308 4.414 ( 0.000 0.000 -3.670) 3.670 4.414 ( 0.000 0.000 3.670) 3.670 4.484 ( 0.000 0.000 -4.954) 4.954 4.484 ( 0.000 0.000 4.954) 4.954 4.808 ( 0.000 0.000 -4.953) 4.953 4.808 ( 0.000 0.000 4.953) 4.953 7.099 ( 0.000 0.000 -2.148) 2.148 7.099 ( 0.000 0.000 2.148) 2.148 7.348 ( 0.000 0.000 -2.728) 2.728 7.348 ( 0.000 0.000 2.728) 2.728 7.377 ( 0.000 0.000 -2.387) 2.387 7.377 ( 0.000 0.000 2.387) 2.387 7.713 ( 0.000 0.000 -5.498) 5.498 7.713 ( 0.000 0.000 5.498) 5.498 10.395 ( 0.000 0.000 -5.260) 5.260 10.395 ( 0.000 0.000 5.260) 5.260 10.985 ( 0.000 0.000 -0.909) 0.909 10.985 ( 0.000 0.000 0.909) 0.909 11.306 ( 0.000 0.000 -3.185) 3.185 11.306 ( 0.000 0.000 3.185) 3.185 11.562 ( 0.000 0.000 -7.269) 7.269 11.562 ( 0.000 0.000 7.269) 7.269 11.902 ( 0.000 0.000 -3.885) 3.885 11.902 ( 0.000 0.000 3.885) 3.885 12.585 ( 0.000 0.000 -4.292) 4.292 12.585 ( 0.000 0.000 4.292) 4.292 12.880 ( 0.000 0.000 -2.740) 2.740 12.880 ( 0.000 0.000 2.740) 2.740 13.108 ( 0.000 0.000 -9.274) 9.274 13.108 ( 0.000 0.000 9.274) 9.274 13.379 ( 0.000 0.000 -7.307) 7.307 13.379 ( 0.000 0.000 7.307) 7.307 13.498 ( 0.000 0.000 -9.907) 9.907 13.498 ( 0.000 0.000 9.907) 9.907 13.827 ( 0.000 0.000 -2.738) 2.738 13.827 ( 0.000 0.000 2.738) 2.738 13.870 ( 0.000 0.000 -3.499) 3.499 13.870 ( 0.000 0.000 3.499) 3.499 14.021 ( 0.000 0.000 -4.400) 4.400 14.021 ( 0.000 0.000 4.400) 4.400 14.238 ( 0.000 0.000 -6.862) 6.862 14.238 ( 0.000 0.000 6.862) 6.862 14.261 ( 0.000 0.000 -8.328) 8.328 14.261 ( 0.000 0.000 8.328) 8.328 14.591 ( 0.000 0.000 -2.494) 2.494 14.591 ( 0.000 0.000 2.494) 2.494 15.208 ( 0.000 0.000 -2.534) 2.534 15.208 ( 0.000 0.000 2.534) 2.534 15.436 ( 0.000 0.000 -0.834) 0.834 15.436 ( 0.000 0.000 0.834) 0.834 15.678 ( 0.000 0.000 -13.328) 13.328 15.678 ( 0.000 0.000 13.328) 13.328 16.129 ( 0.000 0.000 -0.307) 0.307 16.129 ( 0.000 0.000 0.307) 0.307 ======================= Grid point 137 (47/60) ======================= q-point: ( 0.12 0.00 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.611 ( 1.009 0.000 -3.115) 3.274 0.611 ( 1.009 0.000 3.115) 3.274 0.728 ( -1.755 0.000 -7.970) 8.161 0.728 ( -1.755 0.000 7.970) 8.161 0.824 ( -0.722 0.000 -3.159) 3.241 0.824 ( -0.722 0.000 3.159) 3.241 0.996 ( -2.693 0.000 -4.123) 4.925 0.996 ( -2.693 0.000 4.123) 4.925 1.042 ( 2.404 0.000 -0.560) 2.468 1.042 ( 2.404 0.000 0.560) 2.468 1.223 ( -0.098 0.000 -2.385) 2.387 1.223 ( -0.098 0.000 2.385) 2.387 1.326 ( 1.297 0.000 -8.416) 8.515 1.326 ( 1.297 0.000 8.416) 8.515 1.386 ( -0.074 0.000 -1.816) 1.818 1.386 ( -0.074 0.000 1.816) 1.818 1.398 ( 0.568 0.000 -1.585) 1.683 1.398 ( 0.568 0.000 1.585) 1.683 1.506 ( -4.037 0.000 -4.419) 5.985 1.506 ( -4.037 0.000 4.419) 5.985 1.566 ( -1.084 0.000 -2.455) 2.684 1.566 ( -1.084 0.000 2.455) 2.684 1.675 ( 0.866 0.000 -3.025) 3.147 1.675 ( 0.866 0.000 3.025) 3.147 1.703 ( -2.394 0.000 -0.046) 2.395 1.703 ( -2.394 0.000 0.046) 2.395 1.730 ( -1.748 0.000 -3.134) 3.589 1.730 ( -1.748 0.000 3.134) 3.589 1.792 ( 0.462 0.000 -0.199) 0.503 1.792 ( 0.462 0.000 0.199) 0.503 1.892 ( -2.788 0.000 -3.589) 4.545 1.892 ( -2.788 0.000 3.589) 4.545 1.923 ( 4.050 0.000 -6.136) 7.352 1.923 ( 4.050 0.000 6.136) 7.352 1.998 ( 0.166 0.000 -1.507) 1.516 1.998 ( 0.166 0.000 1.507) 1.516 2.026 ( 0.945 0.000 -2.210) 2.403 2.026 ( 0.945 0.000 2.210) 2.403 2.137 ( -2.562 0.000 -5.783) 6.325 2.137 ( -2.562 0.000 5.783) 6.325 2.154 ( -1.012 0.000 -1.841) 2.101 2.154 ( -1.012 0.000 1.841) 2.101 2.213 ( 0.473 0.000 -0.216) 0.521 2.213 ( 0.473 0.000 0.216) 0.521 2.272 ( 0.643 0.000 -2.444) 2.527 2.272 ( 0.643 0.000 2.444) 2.527 2.369 ( 2.531 0.000 -3.807) 4.572 2.369 ( 2.531 0.000 3.807) 4.572 2.415 ( 2.038 0.000 -4.167) 4.638 2.415 ( 2.038 0.000 4.167) 4.638 2.508 ( 0.876 0.000 -0.049) 0.877 2.508 ( 0.876 0.000 0.049) 0.877 2.594 ( -0.350 0.000 -4.530) 4.544 2.594 ( -0.350 0.000 4.530) 4.544 2.637 ( 1.979 0.000 -3.109) 3.686 2.637 ( 1.979 0.000 3.109) 3.686 2.721 ( -0.003 0.000 -3.136) 3.136 2.721 ( -0.003 0.000 3.136) 3.136 2.839 ( -2.363 0.000 -0.827) 2.504 2.839 ( -2.363 0.000 0.827) 2.504 2.932 ( 0.350 0.000 -0.429) 0.554 2.932 ( 0.350 0.000 0.429) 0.554 3.053 ( -4.600 0.000 -1.799) 4.940 3.053 ( -4.600 0.000 1.799) 4.940 3.298 ( -1.789 0.000 -6.766) 6.999 3.298 ( -1.789 0.000 6.766) 6.999 3.339 ( 2.939 0.000 -2.115) 3.621 3.339 ( 2.939 0.000 2.115) 3.621 3.570 ( 2.739 0.000 -0.003) 2.739 3.570 ( 2.739 0.000 0.003) 2.739 3.600 ( 1.574 0.000 -2.636) 3.070 3.600 ( 1.574 0.000 2.636) 3.070 3.874 ( -0.903 0.000 -5.443) 5.517 3.874 ( -0.903 0.000 5.443) 5.517 4.041 ( 0.021 0.000 -6.550) 6.550 4.041 ( 0.021 0.000 6.550) 6.550 4.308 ( 0.675 0.000 -4.928) 4.974 4.308 ( 0.675 0.000 4.928) 4.974 4.357 ( -4.040 0.000 -2.578) 4.793 4.357 ( -4.040 0.000 2.578) 4.793 4.510 ( 1.266 0.000 -3.303) 3.537 4.510 ( 1.266 0.000 3.303) 3.537 4.785 ( -2.334 0.000 -4.909) 5.436 4.785 ( -2.334 0.000 4.909) 5.436 7.134 ( 3.091 0.000 -2.712) 4.113 7.134 ( 3.091 0.000 2.712) 4.113 7.348 ( 0.017 0.000 -2.696) 2.696 7.348 ( 0.017 0.000 2.696) 2.696 7.394 ( 1.670 0.000 -1.810) 2.463 7.394 ( 1.670 0.000 1.810) 2.463 7.723 ( 0.991 0.000 -4.595) 4.700 7.723 ( 0.991 0.000 4.595) 4.700 10.397 ( 0.168 0.000 -4.953) 4.956 10.397 ( 0.168 0.000 4.953) 4.956 10.913 ( -6.550 0.000 -0.503) 6.569 10.913 ( -6.550 0.000 0.503) 6.569 11.305 ( -1.799 0.000 -2.145) 2.800 11.305 ( -1.799 0.000 2.145) 2.800 11.567 ( 1.986 0.000 -6.860) 7.141 11.567 ( 1.986 0.000 6.860) 7.141 11.929 ( 2.764 0.000 -3.421) 4.398 11.929 ( 2.764 0.000 3.421) 4.398 12.546 ( -3.605 0.000 -3.626) 5.113 12.546 ( -3.605 0.000 3.626) 5.113 12.918 ( 3.369 0.000 -1.580) 3.721 12.918 ( 3.369 0.000 1.580) 3.721 13.136 ( 1.505 0.000 -9.591) 9.708 13.136 ( 1.505 0.000 9.591) 9.708 13.366 ( -0.868 0.000 -5.880) 5.944 13.366 ( -0.868 0.000 5.880) 5.944 13.503 ( 1.010 0.000 -9.855) 9.907 13.503 ( 1.010 0.000 9.855) 9.907 13.809 ( -0.886 0.000 -1.205) 1.495 13.809 ( -0.886 0.000 1.205) 1.495 13.929 ( 4.867 0.000 -3.986) 6.291 13.929 ( 4.867 0.000 3.986) 6.291 14.028 ( 0.639 0.000 -4.684) 4.727 14.028 ( 0.639 0.000 4.684) 4.727 14.219 ( -1.608 0.000 -6.608) 6.801 14.219 ( -1.608 0.000 6.608) 6.801 14.243 ( -2.106 0.000 -8.965) 9.209 14.243 ( -2.106 0.000 8.965) 9.209 14.543 ( -4.440 0.000 -1.374) 4.648 14.543 ( -4.440 0.000 1.374) 4.648 15.224 ( 1.621 0.000 -2.170) 2.709 15.224 ( 1.621 0.000 2.170) 2.709 15.448 ( 1.244 0.000 -0.201) 1.260 15.448 ( 1.244 0.000 0.201) 1.260 15.653 ( -2.420 0.000 -12.607) 12.837 15.653 ( -2.420 0.000 12.607) 12.837 16.079 ( -4.807 0.000 -1.729) 5.108 16.079 ( -4.807 0.000 1.729) 5.108 ======================= Grid point 139 (48/60) ======================= q-point: ( 0.25 0.00 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.635 ( 1.130 0.000 -0.626) 1.291 0.635 ( 1.130 0.000 0.626) 1.291 0.684 ( -1.776 0.000 -6.155) 6.406 0.684 ( -1.776 0.000 6.155) 6.406 0.812 ( -2.539 0.000 -0.322) 2.559 0.812 ( -2.539 0.000 0.322) 2.559 0.918 ( -1.976 0.000 -5.641) 5.977 0.918 ( -1.976 0.000 5.641) 5.977 1.130 ( 4.174 0.000 -1.159) 4.332 1.130 ( 4.174 0.000 1.159) 4.332 1.210 ( -0.793 0.000 -4.393) 4.464 1.210 ( -0.793 0.000 4.393) 4.464 1.307 ( -5.492 0.000 -5.985) 8.123 1.307 ( -5.492 0.000 5.985) 8.123 1.354 ( -0.218 0.000 -4.177) 4.183 1.354 ( -0.218 0.000 4.177) 4.183 1.416 ( 0.187 0.000 -1.266) 1.280 1.416 ( 0.187 0.000 1.266) 1.280 1.443 ( -1.746 0.000 -0.413) 1.795 1.443 ( -1.746 0.000 0.413) 1.795 1.565 ( 1.508 0.000 -0.000) 1.508 1.565 ( 1.508 0.000 0.000) 1.508 1.647 ( -3.124 0.000 -0.217) 3.131 1.647 ( -3.124 0.000 0.217) 3.131 1.679 ( -0.629 0.000 -0.009) 0.629 1.679 ( -0.629 0.000 0.009) 0.629 1.753 ( 3.483 0.000 -3.859) 5.198 1.753 ( 3.483 0.000 3.859) 5.198 1.783 ( -1.095 0.000 -1.651) 1.981 1.783 ( -1.095 0.000 1.651) 1.981 1.834 ( -2.965 0.000 -1.734) 3.435 1.834 ( -2.965 0.000 1.734) 3.435 1.959 ( -0.243 0.000 -4.164) 4.171 1.959 ( -0.243 0.000 4.164) 4.171 2.007 ( -0.242 0.000 -1.476) 1.495 2.007 ( -0.242 0.000 1.476) 1.495 2.047 ( 0.712 0.000 -0.299) 0.772 2.047 ( 0.712 0.000 0.299) 0.772 2.096 ( -0.878 0.000 -3.361) 3.473 2.096 ( -0.878 0.000 3.361) 3.473 2.134 ( -0.181 0.000 -0.940) 0.957 2.134 ( -0.181 0.000 0.940) 0.957 2.222 ( 0.424 0.000 -0.624) 0.754 2.222 ( 0.424 0.000 0.624) 0.754 2.269 ( -1.711 0.000 -1.513) 2.284 2.269 ( -1.711 0.000 1.513) 2.284 2.384 ( -0.319 0.000 -1.018) 1.067 2.384 ( -0.319 0.000 1.018) 1.067 2.471 ( 2.070 0.000 -1.159) 2.372 2.471 ( 2.070 0.000 1.159) 2.372 2.537 ( 2.827 0.000 -3.015) 4.133 2.537 ( 2.827 0.000 3.015) 4.133 2.591 ( 0.701 0.000 -5.061) 5.109 2.591 ( 0.701 0.000 5.061) 5.109 2.706 ( 4.183 0.000 -1.016) 4.304 2.706 ( 4.183 0.000 1.016) 4.304 2.730 ( 0.905 0.000 -1.526) 1.774 2.730 ( 0.905 0.000 1.526) 1.774 2.788 ( -2.296 0.000 -2.451) 3.359 2.788 ( -2.296 0.000 2.451) 3.359 2.949 ( 0.640 0.000 -0.525) 0.828 2.949 ( 0.640 0.000 0.525) 0.828 3.002 ( 0.463 0.000 -0.873) 0.988 3.002 ( 0.463 0.000 0.873) 0.988 3.252 ( -2.823 0.000 -5.817) 6.466 3.252 ( -2.823 0.000 5.817) 6.466 3.372 ( 0.691 0.000 -4.125) 4.183 3.372 ( 0.691 0.000 4.125) 4.183 3.585 ( -1.113 0.000 -0.179) 1.128 3.585 ( -1.113 0.000 0.179) 1.128 3.668 ( 4.385 0.000 -2.971) 5.297 3.668 ( 4.385 0.000 2.971) 5.297 3.855 ( -0.759 0.000 -4.721) 4.782 3.855 ( -0.759 0.000 4.721) 4.782 4.035 ( -0.868 0.000 -4.945) 5.020 4.035 ( -0.868 0.000 4.945) 5.020 4.264 ( -3.571 0.000 -1.600) 3.913 4.264 ( -3.571 0.000 1.600) 3.913 4.342 ( 1.157 0.000 -3.496) 3.682 4.342 ( 1.157 0.000 3.496) 3.682 4.519 ( -0.093 0.000 -1.037) 1.041 4.519 ( -0.093 0.000 1.037) 1.041 4.727 ( -3.480 0.000 -4.515) 5.701 4.727 ( -3.480 0.000 4.515) 5.701 7.196 ( 3.066 0.000 -2.782) 4.140 7.196 ( 3.066 0.000 2.782) 4.140 7.344 ( -0.610 0.000 -2.055) 2.144 7.344 ( -0.610 0.000 2.055) 2.144 7.440 ( 2.982 0.000 -0.068) 2.983 7.440 ( 2.982 0.000 0.068) 2.983 7.751 ( 1.838 0.000 -2.690) 3.257 7.751 ( 1.838 0.000 2.690) 3.257 10.400 ( 0.112 0.000 -4.105) 4.107 10.400 ( 0.112 0.000 4.105) 4.107 10.771 ( -7.518 0.000 -0.338) 7.526 10.771 ( -7.518 0.000 0.338) 7.526 11.225 ( -5.373 0.000 -1.853) 5.683 11.225 ( -5.373 0.000 1.853) 5.683 11.645 ( 4.978 0.000 -4.935) 7.009 11.645 ( 4.978 0.000 4.935) 7.009 12.005 ( 5.047 0.000 -2.627) 5.690 12.005 ( 5.047 0.000 2.627) 5.690 12.465 ( -4.576 0.000 -2.262) 5.104 12.465 ( -4.576 0.000 2.262) 5.104 12.983 ( 2.845 0.000 -0.240) 2.855 12.983 ( 2.845 0.000 0.240) 2.855 13.121 ( -2.755 0.000 -7.558) 8.044 13.121 ( -2.755 0.000 7.558) 8.044 13.361 ( 0.357 0.000 -3.741) 3.758 13.361 ( 0.357 0.000 3.741) 3.758 13.546 ( 3.077 0.000 -9.091) 9.597 13.546 ( 3.077 0.000 9.091) 9.597 13.803 ( 0.254 0.000 -0.001) 0.254 13.803 ( 0.254 0.000 0.001) 0.254 14.025 ( 4.289 0.000 -3.556) 5.571 14.025 ( 4.289 0.000 3.556) 5.571 14.038 ( 0.132 0.000 -4.993) 4.995 14.038 ( 0.132 0.000 4.993) 4.995 14.153 ( -5.395 0.000 -8.374) 9.961 14.153 ( -5.395 0.000 8.374) 9.961 14.218 ( 0.414 0.000 -7.115) 7.127 14.218 ( 0.414 0.000 7.115) 7.127 14.452 ( -4.502 0.000 -0.092) 4.503 14.452 ( -4.502 0.000 0.092) 4.503 15.267 ( 2.786 0.000 -1.026) 2.969 15.267 ( 2.786 0.000 1.026) 2.969 15.481 ( 1.832 0.000 -0.000) 1.832 15.481 ( 1.832 0.000 0.000) 1.832 15.597 ( -2.947 0.000 -10.190) 10.608 15.597 ( -2.947 0.000 10.190) 10.608 15.964 ( -6.764 0.000 -3.541) 7.635 15.964 ( -6.764 0.000 3.541) 7.635 ======================= Grid point 141 (49/60) ======================= q-point: ( 0.38 0.00 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.628 ( -1.514 0.000 -0.065) 1.516 0.628 ( -1.514 0.000 0.065) 1.516 0.683 ( 0.984 0.000 -2.634) 2.812 0.683 ( 0.984 0.000 2.634) 2.812 0.747 ( -2.642 0.000 -2.372) 3.550 0.747 ( -2.642 0.000 2.372) 3.550 0.908 ( -0.363 0.000 -0.794) 0.873 0.908 ( -0.363 0.000 0.794) 0.873 1.161 ( -2.115 0.000 -1.107) 2.387 1.161 ( -2.115 0.000 1.107) 2.387 1.206 ( -2.155 0.000 -3.240) 3.891 1.206 ( -2.155 0.000 3.240) 3.891 1.215 ( 1.040 0.000 -3.006) 3.181 1.215 ( 1.040 0.000 3.006) 3.181 1.321 ( -2.262 0.000 -1.510) 2.720 1.321 ( -2.262 0.000 1.510) 2.720 1.430 ( 0.757 0.000 -1.110) 1.344 1.430 ( 0.757 0.000 1.110) 1.344 1.454 ( 2.107 0.000 -3.738) 4.291 1.454 ( 2.107 0.000 3.738) 4.291 1.577 ( -2.592 0.000 -1.642) 3.068 1.577 ( -2.592 0.000 1.642) 3.068 1.608 ( 1.151 0.000 -0.265) 1.181 1.608 ( 1.151 0.000 0.265) 1.181 1.665 ( -0.643 0.000 -0.818) 1.041 1.665 ( -0.643 0.000 0.818) 1.041 1.755 ( -0.837 0.000 -0.131) 0.847 1.755 ( -0.837 0.000 0.131) 0.847 1.787 ( -0.788 0.000 -1.608) 1.791 1.787 ( -0.788 0.000 1.608) 1.791 1.843 ( 3.533 0.000 -3.707) 5.121 1.843 ( 3.533 0.000 3.707) 5.121 1.917 ( -3.388 0.000 -1.445) 3.684 1.917 ( -3.388 0.000 1.445) 3.684 1.991 ( -1.078 0.000 -0.757) 1.317 1.991 ( -1.078 0.000 0.757) 1.317 2.043 ( -0.281 0.000 -0.203) 0.346 2.043 ( -0.281 0.000 0.203) 0.346 2.108 ( 1.458 0.000 -0.123) 1.464 2.108 ( 1.458 0.000 0.123) 1.464 2.145 ( 0.791 0.000 -1.061) 1.323 2.145 ( 0.791 0.000 1.061) 1.323 2.209 ( -2.861 0.000 -0.029) 2.861 2.209 ( -2.861 0.000 0.029) 2.861 2.251 ( 1.661 0.000 -0.076) 1.663 2.251 ( 1.661 0.000 0.076) 1.663 2.361 ( -2.335 0.000 -0.369) 2.364 2.361 ( -2.335 0.000 0.369) 2.364 2.487 ( 0.317 0.000 -0.040) 0.319 2.487 ( 0.317 0.000 0.041) 0.319 2.573 ( 0.328 0.000 -2.914) 2.933 2.573 ( 0.328 0.000 2.914) 2.933 2.640 ( 3.704 0.000 -5.612) 6.724 2.640 ( 3.704 0.000 5.612) 6.724 2.738 ( -0.500 0.000 -0.002) 0.500 2.738 ( -0.500 0.000 0.002) 0.500 2.754 ( 1.463 0.000 -1.732) 2.267 2.754 ( 1.463 0.000 1.732) 2.267 2.793 ( 2.480 0.000 -1.314) 2.806 2.793 ( 2.480 0.000 1.314) 2.806 2.913 ( -3.206 0.000 -1.302) 3.461 2.913 ( -3.206 0.000 1.302) 3.461 3.113 ( 9.210 0.000 -4.950) 10.456 3.113 ( 9.210 0.000 4.950) 10.456 3.199 ( -2.466 0.000 -3.664) 4.417 3.199 ( -2.466 0.000 3.664) 4.417 3.373 ( -0.654 0.000 -2.693) 2.771 3.373 ( -0.654 0.000 2.693) 2.771 3.522 ( -5.434 0.000 -1.496) 5.636 3.522 ( -5.434 0.000 1.496) 5.636 3.740 ( 2.858 0.000 -0.990) 3.024 3.740 ( 2.858 0.000 0.990) 3.024 3.862 ( 1.574 0.000 -2.836) 3.244 3.862 ( 1.574 0.000 2.836) 3.244 4.003 ( -2.433 0.000 -2.477) 3.472 4.003 ( -2.433 0.000 2.477) 3.472 4.216 ( -1.487 0.000 -0.240) 1.507 4.216 ( -1.487 0.000 0.240) 1.507 4.356 ( 0.146 0.000 -1.987) 1.992 4.356 ( 0.146 0.000 1.987) 1.992 4.524 ( 0.990 0.000 -0.013) 0.990 4.524 ( 0.990 0.000 0.013) 0.990 4.659 ( -3.415 0.000 -3.407) 4.824 4.659 ( -3.415 0.000 3.407) 4.824 7.247 ( 2.344 0.000 -1.878) 3.004 7.247 ( 2.344 0.000 1.878) 3.004 7.324 ( -1.419 0.000 -0.734) 1.597 7.324 ( -1.419 0.000 0.734) 1.597 7.494 ( 2.299 0.000 -0.085) 2.301 7.494 ( 2.299 0.000 0.085) 2.301 7.785 ( 1.511 0.000 -0.898) 1.758 7.785 ( 1.511 0.000 0.898) 1.758 10.401 ( -0.047 0.000 -2.493) 2.493 10.401 ( -0.047 0.000 2.493) 2.493 10.649 ( -4.804 0.000 -0.209) 4.809 10.649 ( -4.804 0.000 0.209) 4.809 11.136 ( -3.393 0.000 -0.975) 3.530 11.136 ( -3.393 0.000 0.975) 3.530 11.723 ( 2.797 0.000 -2.686) 3.878 11.723 ( 2.797 0.000 2.686) 3.878 12.116 ( 6.217 0.000 -2.017) 6.536 12.116 ( 6.217 0.000 2.017) 6.536 12.375 ( -4.790 0.000 -0.433) 4.809 12.375 ( -4.790 0.000 0.433) 4.809 12.997 ( -1.539 0.000 -0.060) 1.541 12.997 ( -1.539 0.000 0.060) 1.541 13.082 ( -0.355 0.000 -3.058) 3.078 13.082 ( -0.355 0.000 3.058) 3.078 13.378 ( 1.252 0.000 -1.222) 1.750 13.378 ( 1.252 0.000 1.222) 1.750 13.597 ( 1.976 0.000 -4.313) 4.744 13.597 ( 1.976 0.000 4.313) 4.744 13.812 ( 0.464 0.000 -0.276) 0.540 13.812 ( 0.464 0.000 0.276) 0.540 13.994 ( -5.140 0.000 -0.530) 5.167 13.994 ( -5.140 0.000 0.530) 5.167 14.057 ( 0.163 0.000 -0.538) 0.562 14.057 ( 0.163 0.000 0.538) 0.562 14.108 ( 1.109 0.000 -4.632) 4.763 14.108 ( 1.109 0.000 4.632) 4.763 14.251 ( 2.672 0.000 -5.266) 5.905 14.251 ( 2.672 0.000 5.266) 5.905 14.380 ( -3.026 0.000 -1.039) 3.200 14.380 ( -3.026 0.000 1.039) 3.200 15.328 ( 3.534 0.000 -0.913) 3.650 15.328 ( 3.534 0.000 0.913) 3.650 15.480 ( -2.624 0.000 -4.170) 4.927 15.480 ( -2.624 0.000 4.170) 4.927 15.584 ( 2.381 0.000 -1.888) 3.039 15.584 ( 2.381 0.000 1.888) 3.039 15.835 ( -6.382 0.000 -3.192) 7.136 15.835 ( -6.382 0.000 3.192) 7.136 ======================= Grid point 143 (50/60) ======================= q-point: (-0.50 0.00 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 0.000 -0.000) 0.000 0.607 ( 0.000 0.000 -0.000) 0.000 0.696 ( 0.000 0.000 0.000) 0.000 0.696 ( 0.000 0.000 0.000) 0.000 0.724 ( 0.000 0.000 0.000) 0.000 0.724 ( 0.000 0.000 0.000) 0.000 0.900 ( 0.000 0.000 0.000) 0.000 0.900 ( 0.000 0.000 0.000) 0.000 1.123 ( 0.000 0.000 0.000) 0.000 1.123 ( 0.000 0.000 0.000) 0.000 1.196 ( 0.000 0.000 0.000) 0.000 1.196 ( 0.000 0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.294 ( 0.000 0.000 0.000) 0.000 1.294 ( 0.000 0.000 0.000) 0.000 1.451 ( 0.000 0.000 0.000) 0.000 1.451 ( 0.000 0.000 0.000) 0.000 1.471 ( 0.000 0.000 0.000) 0.000 1.471 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.643 ( -0.000 0.000 0.000) 0.000 1.643 ( -0.000 0.000 0.000) 0.000 1.644 ( 0.000 0.000 -0.000) 0.000 1.644 ( 0.000 0.000 -0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 1.822 ( -0.000 0.000 0.000) 0.000 1.822 ( -0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 -0.000) 0.000 1.977 ( 0.000 0.000 -0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 -0.000) 0.000 2.158 ( 0.000 0.000 -0.000) 0.000 2.160 ( -0.000 0.000 0.000) 0.000 2.160 ( -0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.442 ( -0.000 0.000 0.000) 0.000 3.442 ( -0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.298 ( -0.000 0.000 0.000) 0.000 7.298 ( -0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000 10.400 ( 0.000 0.000 0.000) 0.000 10.400 ( 0.000 0.000 0.000) 0.000 10.601 ( 0.000 0.000 0.000) 0.000 10.601 ( 0.000 0.000 0.000) 0.000 11.103 ( 0.000 0.000 0.000) 0.000 11.103 ( 0.000 0.000 0.000) 0.000 11.749 ( 0.000 0.000 0.000) 0.000 11.749 ( 0.000 0.000 0.000) 0.000 12.203 ( 0.000 0.000 0.000) 0.000 12.203 ( 0.000 0.000 0.000) 0.000 12.304 ( 0.000 0.000 0.000) 0.000 12.304 ( 0.000 0.000 0.000) 0.000 12.974 ( 0.000 0.000 -0.000) 0.000 12.974 ( 0.000 0.000 -0.000) 0.000 13.083 ( 0.000 0.000 0.000) 0.000 13.083 ( 0.000 0.000 0.000) 0.000 13.394 ( 0.000 0.000 0.000) 0.000 13.394 ( 0.000 0.000 0.000) 0.000 13.617 ( 0.000 0.000 0.000) 0.000 13.617 ( 0.000 0.000 0.000) 0.000 13.818 ( 0.000 0.000 0.000) 0.000 13.818 ( 0.000 0.000 0.000) 0.000 13.931 ( 0.000 0.000 0.000) 0.000 13.931 ( 0.000 0.000 0.000) 0.000 14.061 ( 0.000 0.000 -0.000) 0.000 14.061 ( 0.000 0.000 -0.000) 0.000 14.120 ( 0.000 0.000 0.000) 0.000 14.120 ( 0.000 0.000 0.000) 0.000 14.291 ( 0.000 0.000 0.000) 0.000 14.291 ( 0.000 0.000 0.000) 0.000 14.341 ( 0.000 0.000 -0.000) 0.000 14.341 ( 0.000 0.000 -0.000) 0.000 15.384 ( 0.000 0.000 0.000) 0.000 15.384 ( 0.000 0.000 0.000) 0.000 15.428 ( -0.000 0.000 0.000) 0.000 15.428 ( -0.000 0.000 0.000) 0.000 15.631 ( 0.000 0.000 0.000) 0.000 15.631 ( 0.000 0.000 0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 153 (51/60) ======================= q-point: ( 0.00 0.25 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 -0.352 -6.104) 6.114 0.601 ( 0.000 -0.352 6.104) 6.114 0.729 ( 0.000 -2.091 -0.257) 2.106 0.729 ( 0.000 -2.091 0.257) 2.106 0.782 ( 0.000 -3.950 -1.141) 4.111 0.782 ( 0.000 -3.950 1.141) 4.111 0.940 ( 0.000 -3.469 -2.126) 4.068 0.940 ( 0.000 -3.469 2.126) 4.068 1.012 ( 0.000 -1.670 -3.403) 3.791 1.012 ( 0.000 -1.670 3.403) 3.791 1.264 ( 0.000 2.733 -1.693) 3.215 1.264 ( 0.000 2.733 1.693) 3.215 1.330 ( 0.000 0.275 -0.999) 1.036 1.330 ( 0.000 0.275 0.999) 1.036 1.392 ( 0.000 3.751 -3.710) 5.276 1.392 ( 0.000 3.751 3.710) 5.276 1.441 ( 0.000 2.259 -1.189) 2.553 1.441 ( 0.000 2.259 1.189) 2.553 1.521 ( 0.000 -1.821 -1.021) 2.088 1.521 ( 0.000 -1.821 1.021) 2.088 1.579 ( 0.000 -0.477 -1.367) 1.448 1.579 ( 0.000 -0.477 1.367) 1.448 1.618 ( 0.000 -4.053 -0.080) 4.054 1.618 ( 0.000 -4.053 0.080) 4.054 1.690 ( 0.000 -1.764 -0.079) 1.766 1.690 ( 0.000 -1.764 0.079) 1.766 1.768 ( 0.000 0.682 -0.442) 0.813 1.768 ( 0.000 0.682 0.442) 0.813 1.852 ( 0.000 2.110 -0.028) 2.111 1.852 ( 0.000 2.110 0.028) 2.111 1.882 ( 0.000 3.114 -0.056) 3.114 1.882 ( 0.000 3.114 0.056) 3.114 1.914 ( 0.000 -0.732 -2.941) 3.031 1.914 ( 0.000 -0.732 2.941) 3.031 1.992 ( 0.000 -1.043 -3.300) 3.461 1.992 ( 0.000 -1.043 3.300) 3.461 2.011 ( 0.000 0.108 -0.187) 0.216 2.011 ( 0.000 0.108 0.187) 0.216 2.133 ( 0.000 -1.300 -3.100) 3.361 2.133 ( 0.000 -1.300 3.100) 3.361 2.195 ( 0.000 1.258 -2.235) 2.565 2.195 ( 0.000 1.258 2.235) 2.565 2.239 ( 0.000 2.183 -0.170) 2.190 2.239 ( 0.000 2.183 0.170) 2.190 2.263 ( 0.000 -0.341 -0.770) 0.842 2.263 ( 0.000 -0.341 0.770) 0.842 2.334 ( 0.000 0.358 -0.862) 0.934 2.334 ( 0.000 0.358 0.862) 0.934 2.410 ( 0.000 0.167 -0.833) 0.850 2.410 ( 0.000 0.167 0.833) 0.850 2.498 ( 0.000 0.356 -3.465) 3.484 2.498 ( 0.000 0.356 3.465) 3.484 2.568 ( 0.000 -1.154 -2.547) 2.796 2.568 ( 0.000 -1.154 2.547) 2.796 2.594 ( 0.000 -2.207 -0.254) 2.221 2.594 ( 0.000 -2.207 0.254) 2.221 2.768 ( 0.000 3.035 -0.231) 3.044 2.768 ( 0.000 3.035 0.231) 3.044 2.878 ( 0.000 1.344 -3.098) 3.377 2.878 ( 0.000 1.344 3.098) 3.377 2.992 ( 0.000 5.163 -0.713) 5.212 2.992 ( 0.000 5.163 0.713) 5.212 3.046 ( 0.000 -4.992 -2.821) 5.734 3.046 ( 0.000 -4.992 2.821) 5.734 3.279 ( 0.000 -3.630 -7.476) 8.311 3.279 ( 0.000 -3.630 7.476) 8.311 3.357 ( 0.000 4.934 -4.590) 6.738 3.357 ( 0.000 4.934 4.590) 6.738 3.547 ( 0.000 -3.088 -2.623) 4.052 3.547 ( 0.000 -3.088 2.623) 4.052 3.584 ( 0.000 3.459 -3.337) 4.806 3.584 ( 0.000 3.459 3.337) 4.806 3.849 ( 0.000 -3.129 -5.528) 6.352 3.849 ( 0.000 -3.129 5.528) 6.352 4.050 ( 0.000 1.035 -6.106) 6.193 4.050 ( 0.000 1.035 6.106) 6.193 4.223 ( 0.000 -5.552 -1.071) 5.654 4.223 ( 0.000 -5.552 1.071) 5.654 4.451 ( 0.000 2.029 -5.416) 5.784 4.451 ( 0.000 2.029 5.416) 5.784 4.524 ( 0.000 3.741 -0.923) 3.853 4.524 ( 0.000 3.741 0.923) 3.853 4.789 ( 0.000 -1.910 -3.460) 3.952 4.789 ( 0.000 -1.910 3.460) 3.952 7.116 ( 0.000 1.455 -1.415) 2.029 7.116 ( 0.000 1.455 1.415) 2.029 7.273 ( 0.000 -3.635 -1.922) 4.112 7.273 ( 0.000 -3.635 1.922) 4.112 7.461 ( 0.000 4.759 -2.636) 5.441 7.461 ( 0.000 4.759 2.636) 5.441 7.661 ( 0.000 -4.684 -4.433) 6.449 7.661 ( 0.000 -4.684 4.433) 6.449 10.395 ( 0.000 -0.030 -3.716) 3.716 10.395 ( 0.000 -0.030 3.716) 3.716 10.992 ( 0.000 0.567 -0.689) 0.892 10.992 ( 0.000 0.567 0.689) 0.892 11.295 ( 0.000 -0.875 -1.875) 2.069 11.295 ( 0.000 -0.875 1.875) 2.069 11.572 ( 0.000 0.781 -4.846) 4.909 11.572 ( 0.000 0.781 4.846) 4.909 11.938 ( 0.000 2.831 -2.995) 4.121 11.938 ( 0.000 2.831 2.995) 4.121 12.567 ( 0.000 -1.356 -2.965) 3.261 12.567 ( 0.000 -1.356 2.965) 3.261 12.910 ( 0.000 2.764 -2.191) 3.526 12.910 ( 0.000 2.764 2.191) 3.526 13.105 ( 0.000 -0.407 -6.577) 6.590 13.105 ( 0.000 -0.407 6.577) 6.590 13.325 ( 0.000 -4.506 -5.231) 6.905 13.325 ( 0.000 -4.506 5.231) 6.905 13.505 ( 0.000 0.772 -6.948) 6.991 13.505 ( 0.000 0.772 6.948) 6.991 13.822 ( 0.000 -0.024 -0.747) 0.747 13.822 ( 0.000 -0.024 0.747) 0.747 13.926 ( 0.000 4.491 -0.350) 4.505 13.926 ( 0.000 4.491 0.350) 4.505 14.052 ( 0.000 2.056 -1.361) 2.465 14.052 ( 0.000 2.056 1.361) 2.465 14.165 ( 0.000 -4.309 -2.949) 5.221 14.165 ( 0.000 -4.309 2.949) 5.221 14.303 ( 0.000 1.762 -2.749) 3.266 14.303 ( 0.000 1.762 2.749) 3.266 14.571 ( 0.000 -1.640 -1.760) 2.405 14.571 ( 0.000 -1.640 1.760) 2.405 15.210 ( 0.000 -0.086 -1.036) 1.039 15.210 ( 0.000 -0.086 1.036) 1.039 15.451 ( 0.000 1.510 -1.830) 2.373 15.451 ( 0.000 1.510 1.830) 2.373 15.691 ( 0.000 0.997 -10.114) 10.164 15.691 ( 0.000 0.997 10.114) 10.164 16.097 ( 0.000 -2.599 -0.076) 2.600 16.097 ( 0.000 -2.599 0.076) 2.600 ======================= Grid point 155 (52/60) ======================= q-point: ( 0.12 0.25 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -1.250 -3.488 0.000) 3.705 0.601 ( -0.548 -1.155 0.000) 1.278 0.697 ( 0.012 -1.494 0.000) 1.495 0.706 ( -4.084 -3.259 -0.000) 5.225 0.818 ( 4.539 0.348 0.000) 4.552 0.819 ( 2.154 -1.485 -0.000) 2.616 0.875 ( -3.550 0.104 0.000) 3.552 0.943 ( 1.806 -1.700 0.000) 2.480 1.081 ( 4.265 -5.542 0.000) 6.993 1.106 ( 6.127 -2.881 0.000) 6.771 1.212 ( -4.472 4.342 0.000) 6.233 1.238 ( -2.659 1.299 0.000) 2.960 1.288 ( -1.213 0.220 0.000) 1.233 1.331 ( -0.203 3.073 0.000) 3.080 1.380 ( -2.876 2.902 0.000) 4.085 1.400 ( -2.493 -2.450 0.000) 3.495 1.411 ( -2.054 -0.263 -0.000) 2.071 1.444 ( 1.606 -1.067 0.000) 1.928 1.457 ( -4.577 0.680 0.000) 4.627 1.544 ( -0.574 -2.784 0.000) 2.843 1.552 ( -0.222 0.218 0.000) 0.311 1.565 ( -0.542 2.180 0.000) 2.246 1.615 ( 1.421 -4.223 0.000) 4.455 1.647 ( 0.993 -0.553 0.000) 1.137 1.673 ( -0.656 -0.641 0.000) 0.917 1.713 ( 0.697 -1.852 0.000) 1.979 1.761 ( -1.954 2.458 0.000) 3.140 1.761 ( -2.529 2.047 -0.000) 3.253 1.800 ( 0.887 1.167 0.000) 1.466 1.850 ( -1.665 2.553 0.000) 3.048 1.862 ( -2.128 -1.454 0.000) 2.577 1.874 ( -3.170 0.440 0.000) 3.201 1.938 ( 2.050 0.841 0.000) 2.216 1.957 ( 4.302 1.324 -0.000) 4.501 1.994 ( 0.284 0.065 0.000) 0.292 2.002 ( -0.032 -0.085 0.000) 0.091 2.018 ( 0.003 -0.904 0.000) 0.904 2.019 ( 1.294 -0.637 -0.000) 1.442 2.108 ( -0.630 -1.135 0.000) 1.298 2.140 ( 0.563 -1.319 0.000) 1.435 2.153 ( -2.603 0.702 0.000) 2.696 2.190 ( -0.932 1.663 0.000) 1.907 2.214 ( -1.918 -0.867 0.000) 2.104 2.237 ( -2.481 3.617 0.000) 4.386 2.265 ( -0.335 -3.378 0.000) 3.395 2.279 ( 2.203 2.651 -0.000) 3.446 2.342 ( 3.765 0.941 0.000) 3.881 2.415 ( 1.177 1.439 -0.000) 1.859 2.421 ( 4.701 0.271 0.000) 4.709 2.435 ( 1.826 0.431 0.000) 1.876 2.510 ( 0.924 1.433 -0.000) 1.705 2.516 ( 1.625 0.221 0.000) 1.640 2.568 ( -0.684 -1.884 0.000) 2.004 2.572 ( 1.140 -0.879 -0.000) 1.439 2.605 ( 1.137 -2.120 0.000) 2.405 2.623 ( 3.603 -1.643 0.000) 3.960 2.732 ( -1.938 2.399 0.000) 3.083 2.787 ( 0.433 2.494 0.000) 2.532 2.850 ( -2.768 1.587 -0.000) 3.191 2.851 ( -2.547 0.168 0.000) 2.553 2.935 ( -2.502 -0.661 0.000) 2.588 2.965 ( -3.113 1.979 0.000) 3.689 3.034 ( 2.218 6.735 0.000) 7.090 3.103 ( -0.264 -2.623 0.000) 2.637 3.266 ( -0.715 -3.304 0.000) 3.381 3.275 ( -1.103 -2.222 -0.000) 2.480 3.293 ( -1.204 2.286 0.000) 2.583 3.396 ( 0.341 2.228 0.000) 2.254 3.524 ( -1.635 -4.610 0.000) 4.892 3.556 ( 0.484 1.743 0.000) 1.809 3.581 ( 2.155 -4.159 0.000) 4.684 3.673 ( 4.351 3.603 0.000) 5.649 3.804 ( -1.312 -2.853 0.000) 3.140 3.889 ( 1.362 -0.522 0.000) 1.459 4.050 ( -0.116 1.102 -0.000) 1.108 4.052 ( 0.026 0.908 0.000) 0.909 4.212 ( 0.045 -5.359 0.000) 5.360 4.268 ( 3.233 -4.585 0.000) 5.611 4.366 ( -4.638 2.659 0.000) 5.346 4.423 ( -4.710 -0.313 0.000) 4.720 4.510 ( 0.883 5.384 0.000) 5.456 4.586 ( 2.262 3.560 0.000) 4.217 4.760 ( -2.579 -2.147 0.000) 3.356 4.773 ( -1.927 -1.561 -0.000) 2.480 7.144 ( 2.530 0.871 -1.824) 3.239 7.144 ( 2.531 0.871 1.824) 3.239 7.279 ( 1.214 -3.047 0.000) 3.280 7.295 ( 1.399 -3.057 -0.000) 3.362 7.450 ( -0.177 3.692 0.000) 3.696 7.490 ( 2.190 5.948 0.000) 6.338 7.638 ( -0.380 -5.676 0.000) 5.689 7.705 ( 2.645 -3.522 0.000) 4.405 10.395 ( 0.088 0.014 0.000) 0.089 10.400 ( 0.376 0.015 -0.000) 0.376 10.902 ( -7.530 0.107 0.000) 7.530 10.928 ( -6.526 0.085 0.000) 6.527 11.284 ( -0.934 0.622 0.000) 1.122 11.351 ( 2.652 1.146 0.000) 2.889 11.517 ( -2.783 -1.383 0.000) 3.107 11.585 ( 0.671 -0.937 0.000) 1.152 11.951 ( 2.247 2.813 -0.000) 3.600 11.978 ( 3.229 2.742 0.000) 4.236 12.533 ( -2.920 -0.522 0.000) 2.966 12.544 ( -2.525 -0.582 0.000) 2.591 12.902 ( 0.714 0.681 0.000) 0.987 12.975 ( 3.513 2.119 0.000) 4.102 13.100 ( -0.651 -1.780 0.000) 1.895 13.137 ( 1.973 -0.270 0.000) 1.991 13.298 ( 0.434 -2.578 0.000) 2.614 13.369 ( 1.856 -2.652 0.000) 3.237 13.503 ( 0.763 0.965 0.000) 1.230 13.527 ( 2.050 0.586 -0.000) 2.132 13.805 ( -0.153 1.065 0.000) 1.076 13.859 ( 0.596 1.990 0.000) 2.077 13.921 ( 2.280 1.310 0.000) 2.630 13.975 ( 3.302 3.116 0.000) 4.540 14.055 ( 0.805 1.619 0.000) 1.808 14.066 ( 0.532 2.844 0.000) 2.893 14.145 ( -1.784 -4.393 -0.000) 4.742 14.170 ( 0.444 -3.140 0.000) 3.171 14.250 ( -3.528 0.261 0.000) 3.537 14.280 ( -3.880 0.965 0.000) 3.998 14.525 ( -3.781 -0.894 0.000) 3.885 14.543 ( -3.199 -0.691 0.000) 3.273 15.213 ( 0.346 -1.187 -0.000) 1.236 15.215 ( 0.453 -1.081 0.000) 1.172 15.441 ( 0.080 1.587 0.000) 1.589 15.485 ( 2.354 1.447 0.000) 2.763 15.647 ( -3.362 1.026 0.000) 3.515 15.688 ( -1.372 1.021 -0.000) 1.710 16.050 ( -4.174 -1.751 0.000) 4.526 16.064 ( -3.540 -1.764 0.000) 3.955 ======================= Grid point 157 (53/60) ======================= q-point: ( 0.25 0.25 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -3.200 -9.332 0.000) 9.865 0.570 ( -1.980 -6.137 0.000) 6.449 0.664 ( -0.752 2.002 0.000) 2.139 0.714 ( 1.463 1.237 0.000) 1.916 0.815 ( -2.963 6.521 0.000) 7.163 0.868 ( 0.859 3.178 0.000) 3.292 0.883 ( 4.092 1.163 -0.000) 4.254 1.014 ( 4.202 -4.963 0.000) 6.503 1.087 ( -4.329 6.416 0.000) 7.740 1.154 ( -0.776 -4.248 -0.000) 4.318 1.168 ( -0.524 -8.947 0.000) 8.963 1.215 ( 0.063 1.002 0.000) 1.004 1.280 ( 0.551 0.816 0.000) 0.984 1.293 ( -4.763 0.822 0.000) 4.833 1.305 ( -5.298 -3.668 -0.000) 6.444 1.351 ( 1.259 -0.682 0.000) 1.432 1.394 ( 0.335 1.623 0.000) 1.657 1.399 ( -0.951 3.659 -0.000) 3.781 1.480 ( 2.296 -2.485 0.000) 3.383 1.512 ( -0.912 0.618 0.000) 1.101 1.562 ( 0.253 3.774 0.000) 3.782 1.569 ( 0.144 -1.403 0.000) 1.410 1.645 ( -0.176 -0.836 0.000) 0.855 1.646 ( -0.870 -0.150 0.000) 0.883 1.671 ( 0.905 -2.557 0.000) 2.713 1.704 ( -2.710 1.964 0.000) 3.347 1.714 ( -2.125 2.258 -0.000) 3.101 1.724 ( 0.332 -2.807 0.000) 2.827 1.768 ( -4.298 -2.115 0.000) 4.790 1.812 ( -2.250 -1.490 0.000) 2.699 1.822 ( -0.376 2.564 0.000) 2.591 1.856 ( -0.633 2.194 0.000) 2.283 1.940 ( -0.922 -1.041 0.000) 1.391 1.960 ( -3.029 -3.096 0.000) 4.331 2.003 ( 0.452 0.073 -0.000) 0.458 2.015 ( -0.952 0.582 -0.000) 1.116 2.037 ( 0.168 1.444 0.000) 1.454 2.042 ( 2.131 -1.202 -0.000) 2.447 2.101 ( 0.495 0.402 0.000) 0.637 2.128 ( -1.028 1.530 0.000) 1.843 2.152 ( 2.214 0.450 0.000) 2.260 2.178 ( -2.076 0.843 0.000) 2.240 2.201 ( 1.017 0.927 0.000) 1.376 2.207 ( 0.051 1.205 0.000) 1.206 2.245 ( -0.557 -1.424 0.000) 1.529 2.281 ( -2.072 0.853 0.000) 2.240 2.413 ( 2.508 4.726 0.000) 5.350 2.449 ( 2.610 -0.544 0.000) 2.666 2.457 ( 0.975 -0.804 -0.000) 1.264 2.499 ( 0.287 4.334 0.000) 4.344 2.537 ( 4.599 -0.776 0.000) 4.664 2.548 ( 1.501 0.609 0.000) 1.619 2.580 ( 0.979 0.820 0.000) 1.277 2.595 ( 1.584 -0.367 0.000) 1.626 2.663 ( 4.318 -2.650 0.000) 5.066 2.702 ( 4.007 -2.274 0.000) 4.607 2.712 ( 0.005 1.963 0.000) 1.963 2.766 ( -2.070 -0.222 0.000) 2.082 2.796 ( -2.490 -0.266 0.000) 2.504 2.836 ( 1.393 2.044 0.000) 2.473 2.906 ( -2.273 0.211 0.000) 2.283 2.924 ( 1.148 1.984 0.000) 2.292 3.054 ( -3.371 2.959 0.000) 4.485 3.087 ( 2.998 3.898 0.000) 4.918 3.227 ( -2.611 -1.836 0.000) 3.192 3.239 ( -2.573 -1.329 -0.000) 2.896 3.334 ( 3.698 -2.560 0.000) 4.498 3.381 ( -1.616 0.438 -0.000) 1.674 3.487 ( -2.204 -5.812 0.000) 6.216 3.574 ( 0.864 0.003 0.000) 0.864 3.600 ( -1.327 -5.233 0.000) 5.398 3.725 ( 2.293 -3.249 0.000) 3.977 3.824 ( 2.761 3.931 0.000) 4.804 3.900 ( -0.131 1.155 0.000) 1.163 4.036 ( -1.630 0.737 -0.000) 1.789 4.046 ( -0.712 0.645 0.000) 0.961 4.219 ( 0.776 -2.605 0.000) 2.718 4.299 ( -2.064 1.797 0.000) 2.736 4.320 ( -1.293 2.412 0.000) 2.736 4.360 ( 1.976 -6.018 0.000) 6.334 4.503 ( -1.540 5.287 0.000) 5.506 4.605 ( -0.232 3.764 0.000) 3.771 4.699 ( -3.437 -2.441 0.000) 4.216 4.721 ( -3.331 -1.098 -0.000) 3.508 7.193 ( 2.450 -0.038 0.000) 2.451 7.199 ( 2.774 -0.042 -0.000) 2.774 7.308 ( 1.318 -1.958 0.000) 2.361 7.315 ( 0.525 -1.644 -0.000) 1.725 7.457 ( 0.971 2.884 0.000) 3.043 7.543 ( 3.076 6.464 0.000) 7.159 7.648 ( 1.282 -6.382 0.000) 6.510 7.757 ( 2.674 -2.499 0.000) 3.660 10.397 ( 0.053 0.180 0.000) 0.188 10.409 ( 0.574 0.204 -0.000) 0.609 10.739 ( -8.789 -0.788 0.000) 8.824 10.782 ( -7.892 -1.006 0.000) 7.956 11.241 ( -3.001 4.399 0.000) 5.326 11.324 ( -4.372 6.705 0.000) 8.004 11.540 ( 4.226 -7.622 0.000) 8.715 11.607 ( 1.225 -5.287 0.000) 5.427 12.028 ( 5.645 2.903 -0.000) 6.348 12.058 ( 4.986 2.783 0.000) 5.710 12.467 ( -3.839 0.847 0.000) 3.931 12.483 ( -3.644 0.782 0.000) 3.727 12.916 ( 0.520 -2.908 0.000) 2.955 12.972 ( -4.195 -4.891 0.000) 6.443 13.114 ( 3.019 3.266 0.000) 4.448 13.151 ( -0.824 1.300 0.000) 1.539 13.320 ( 0.768 -0.245 0.000) 0.806 13.406 ( 2.527 -0.865 0.000) 2.671 13.556 ( 4.594 1.261 0.000) 4.764 13.584 ( 3.318 2.154 -0.000) 3.956 13.808 ( 0.206 1.530 0.000) 1.544 13.845 ( -1.047 3.057 0.000) 3.231 14.000 ( 4.459 -2.631 0.000) 5.177 14.033 ( 1.137 -0.041 0.000) 1.137 14.039 ( -2.940 1.345 -0.000) 3.233 14.078 ( 1.247 1.871 0.000) 2.249 14.109 ( -1.548 -1.334 0.000) 2.043 14.159 ( -6.523 -0.097 0.000) 6.524 14.193 ( 0.731 -1.320 -0.000) 1.509 14.212 ( 0.530 -1.197 0.000) 1.309 14.444 ( -4.400 0.134 0.000) 4.402 14.470 ( -3.840 0.488 0.000) 3.870 15.223 ( 0.659 -3.834 0.000) 3.891 15.227 ( 0.831 -3.574 -0.000) 3.669 15.453 ( 1.180 1.623 0.000) 2.007 15.537 ( 2.753 0.809 0.000) 2.870 15.575 ( -3.617 1.403 0.000) 3.879 15.647 ( -2.684 1.019 -0.000) 2.871 15.953 ( -5.543 0.304 0.000) 5.551 15.979 ( -4.927 0.183 0.000) 4.930 ======================= Grid point 159 (54/60) ======================= q-point: ( 0.38 0.25 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -2.368 -10.982 0.000) 11.235 0.551 ( -0.029 -8.011 0.000) 8.011 0.651 ( -0.720 4.179 0.000) 4.240 0.735 ( 0.019 4.862 0.000) 4.862 0.767 ( -1.232 5.219 0.000) 5.363 0.862 ( -1.076 2.353 0.000) 2.587 0.957 ( 3.566 2.758 -0.000) 4.508 0.975 ( -4.971 5.485 0.000) 7.402 1.099 ( 2.795 -4.574 0.000) 5.361 1.135 ( -3.711 -3.844 0.000) 5.343 1.138 ( -0.095 -4.480 -0.000) 4.481 1.176 ( -1.696 -3.909 0.000) 4.261 1.234 ( -2.390 0.827 -0.000) 2.529 1.239 ( -1.863 -0.826 0.000) 2.038 1.297 ( 1.150 1.654 0.000) 2.015 1.334 ( -1.656 2.347 0.000) 2.872 1.414 ( 1.679 2.053 0.000) 2.652 1.431 ( 2.690 0.851 0.000) 2.821 1.519 ( -0.431 0.148 0.000) 0.455 1.528 ( 1.887 3.966 -0.000) 4.392 1.550 ( -1.791 -1.058 0.000) 2.080 1.578 ( 2.121 0.982 0.000) 2.337 1.619 ( -2.027 1.284 0.000) 2.399 1.636 ( -0.226 0.900 0.000) 0.928 1.651 ( -1.373 -0.572 0.000) 1.487 1.660 ( -1.032 -2.121 -0.000) 2.359 1.716 ( 1.119 -1.722 0.000) 2.053 1.724 ( 0.202 -3.809 0.000) 3.814 1.727 ( 0.213 -4.341 0.000) 4.346 1.761 ( -3.077 -0.678 0.000) 3.151 1.828 ( 1.275 -0.299 -0.000) 1.310 1.845 ( -1.034 1.147 0.000) 1.544 1.899 ( -2.249 -3.140 0.000) 3.862 1.926 ( -1.234 0.112 0.000) 1.239 1.950 ( -4.128 -2.258 -0.000) 4.705 1.973 ( -3.377 -0.999 0.000) 3.522 2.033 ( 0.390 1.510 0.000) 1.559 2.084 ( 1.687 -0.954 0.000) 1.938 2.121 ( -0.343 0.642 -0.000) 0.728 2.127 ( 1.203 -0.662 0.000) 1.374 2.144 ( -0.580 3.372 0.000) 3.422 2.189 ( -1.335 1.126 -0.000) 1.747 2.198 ( 2.525 1.020 0.000) 2.723 2.231 ( -2.093 0.176 0.000) 2.100 2.245 ( 2.559 3.898 0.000) 4.662 2.268 ( 1.733 0.580 0.000) 1.828 2.433 ( 0.141 6.789 0.000) 6.790 2.459 ( -1.112 1.000 0.000) 1.496 2.492 ( -0.344 5.505 -0.000) 5.516 2.498 ( 1.752 0.008 0.000) 1.752 2.575 ( -0.768 0.560 -0.000) 0.950 2.577 ( 1.640 -0.326 0.000) 1.672 2.624 ( 0.859 0.112 0.000) 0.867 2.642 ( 5.324 -1.472 0.000) 5.523 2.695 ( -1.365 -1.275 0.000) 1.868 2.735 ( -0.521 0.262 0.000) 0.583 2.745 ( 3.208 -1.231 0.000) 3.436 2.758 ( 0.683 -3.671 -0.000) 3.734 2.803 ( 3.360 1.359 0.000) 3.624 2.818 ( -2.119 3.546 -0.000) 4.131 2.896 ( 0.268 1.064 0.000) 1.098 2.975 ( -4.563 2.670 0.000) 5.287 3.022 ( 7.971 -2.207 0.000) 8.271 3.163 ( 3.169 -2.654 0.000) 4.133 3.178 ( -0.992 -0.958 -0.000) 1.379 3.186 ( -2.542 -1.815 0.000) 3.123 3.347 ( -1.652 -0.356 0.000) 1.690 3.406 ( 2.787 -0.889 0.000) 2.925 3.442 ( -1.633 -2.632 0.000) 3.098 3.528 ( -5.331 -2.885 0.000) 6.062 3.579 ( -0.437 -2.826 -0.000) 2.860 3.783 ( 3.209 -5.252 0.000) 6.154 3.872 ( 2.038 2.694 -0.000) 3.378 3.888 ( -0.977 0.986 0.000) 1.388 3.989 ( -2.974 0.833 0.000) 3.088 4.025 ( -1.311 0.575 0.000) 1.432 4.245 ( 1.753 3.223 0.000) 3.669 4.275 ( -1.733 1.463 0.000) 2.268 4.281 ( -0.245 -0.246 0.000) 0.347 4.440 ( 3.438 -3.837 0.000) 5.151 4.470 ( -0.285 5.767 0.000) 5.774 4.586 ( -1.267 2.278 0.000) 2.606 4.640 ( -2.554 -1.960 0.000) 3.220 4.650 ( -4.131 -1.006 -0.000) 4.251 7.235 ( 1.856 -0.575 0.000) 1.943 7.244 ( 1.905 -0.723 -0.000) 2.037 7.314 ( -0.540 -0.294 -0.000) 0.615 7.317 ( -0.371 -0.749 0.000) 0.836 7.484 ( 1.533 1.976 0.000) 2.501 7.596 ( 2.205 6.357 0.000) 6.728 7.677 ( 1.452 -6.639 0.000) 6.796 7.801 ( 1.728 -1.953 0.000) 2.608 10.396 ( -0.167 0.517 0.000) 0.543 10.425 ( 1.158 0.882 0.000) 1.456 10.587 ( -6.622 -2.179 0.000) 6.971 10.653 ( -5.020 -2.250 0.000) 5.502 11.192 ( -1.811 7.640 0.000) 7.852 11.248 ( -2.932 8.134 0.000) 8.646 11.617 ( 3.122 -9.650 -0.000) 10.142 11.621 ( 0.258 -8.580 0.000) 8.584 12.153 ( 7.033 2.631 -0.000) 7.509 12.161 ( 5.504 3.030 0.000) 6.283 12.386 ( -4.697 1.928 0.000) 5.077 12.409 ( -3.977 1.806 0.000) 4.367 12.880 ( -4.222 -5.671 -0.000) 7.070 12.920 ( 0.009 -6.457 0.000) 6.457 13.117 ( -2.100 3.986 0.000) 4.505 13.170 ( 2.058 3.235 0.000) 3.834 13.328 ( 0.478 0.970 0.000) 1.081 13.473 ( 4.251 -1.031 0.000) 4.374 13.625 ( 0.433 6.219 0.000) 6.234 13.644 ( 3.908 2.073 0.000) 4.424 13.805 ( -0.392 0.294 0.000) 0.490 13.837 ( 0.296 1.509 0.000) 1.538 13.968 ( -3.874 -1.027 0.000) 4.008 13.978 ( -7.102 -1.674 0.000) 7.297 14.005 ( -1.931 -2.193 -0.000) 2.922 14.092 ( 2.624 -0.814 0.000) 2.748 14.123 ( 1.659 1.217 0.000) 2.058 14.124 ( 1.595 2.447 -0.000) 2.921 14.229 ( 2.412 -1.155 -0.000) 2.674 14.248 ( 2.248 -0.768 0.000) 2.375 14.360 ( -4.272 -0.094 0.000) 4.273 14.411 ( -2.235 0.811 0.000) 2.377 15.236 ( 0.649 -6.661 0.000) 6.693 15.246 ( 1.029 -6.784 -0.000) 6.862 15.485 ( 2.097 1.420 0.000) 2.532 15.500 ( -3.003 2.559 0.000) 3.946 15.591 ( -2.985 0.726 0.000) 3.072 15.604 ( 3.231 -1.365 0.000) 3.508 15.851 ( -4.777 3.537 0.000) 5.944 15.894 ( -3.499 2.554 0.000) 4.332 ======================= Grid point 161 (55/60) ======================= q-point: (-0.50 0.25 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.000 -10.647 0.000) 10.647 0.554 ( 0.000 -8.550 0.000) 8.550 0.642 ( 0.000 4.958 0.000) 4.958 0.725 ( 0.000 8.257 0.000) 8.257 0.764 ( 0.000 1.231 0.000) 1.231 0.848 ( 0.000 0.200 0.000) 0.200 0.919 ( 0.000 7.051 0.000) 7.051 1.011 ( 0.000 4.674 0.000) 4.674 1.067 ( 0.000 -2.241 0.000) 2.241 1.124 ( 0.000 -5.646 0.000) 5.646 1.148 ( 0.000 -3.590 0.000) 3.590 1.174 ( 0.000 -7.147 0.000) 7.147 1.205 ( 0.000 0.205 0.000) 0.205 1.208 ( 0.000 2.020 -0.000) 2.020 1.315 ( 0.000 2.721 0.000) 2.721 1.316 ( 0.000 3.111 0.000) 3.111 1.445 ( 0.000 1.200 0.000) 1.200 1.483 ( 0.000 1.549 0.000) 1.549 1.484 ( -0.000 2.267 0.000) 2.267 1.506 ( 0.000 -0.324 -0.000) 0.324 1.561 ( 0.000 -1.722 0.000) 1.722 1.563 ( 0.000 5.627 0.000) 5.627 1.624 ( -0.000 -3.162 0.000) 3.162 1.637 ( 0.000 0.203 0.000) 0.203 1.641 ( 0.000 0.359 -0.000) 0.359 1.674 ( -0.000 1.796 0.000) 1.796 1.717 ( 0.000 -2.224 0.000) 2.224 1.734 ( 0.000 -3.611 -0.000) 3.611 1.735 ( 0.000 -6.045 0.000) 6.045 1.738 ( -0.000 -0.786 0.000) 0.786 1.812 ( 0.000 -0.507 0.000) 0.507 1.854 ( 0.000 -1.322 0.000) 1.322 1.870 ( -0.000 0.110 0.000) 0.110 1.897 ( 0.000 -3.102 -0.000) 3.102 1.920 ( 0.000 -1.302 0.000) 1.302 1.930 ( 0.000 -2.664 -0.000) 2.664 2.038 ( 0.000 1.151 0.000) 1.151 2.102 ( 0.000 -0.400 0.000) 0.400 2.111 ( 0.000 -0.133 0.000) 0.133 2.139 ( 0.000 -1.522 0.000) 1.522 2.151 ( 0.000 0.607 0.000) 0.607 2.168 ( 0.000 5.199 -0.000) 5.199 2.206 ( -0.000 0.896 0.000) 0.896 2.231 ( 0.000 -0.044 0.000) 0.044 2.278 ( 0.000 5.436 0.000) 5.436 2.288 ( 0.000 0.441 0.000) 0.441 2.431 ( 0.000 7.747 -0.000) 7.747 2.433 ( 0.000 6.564 0.000) 6.564 2.490 ( 0.000 1.723 0.000) 1.723 2.513 ( 0.000 1.658 0.000) 1.658 2.567 ( 0.000 0.564 0.000) 0.564 2.603 ( 0.000 1.081 0.000) 1.081 2.620 ( -0.000 -2.629 0.000) 2.629 2.682 ( 0.000 -1.827 0.000) 1.827 2.724 ( 0.000 -3.566 0.000) 3.566 2.730 ( -0.000 -0.867 -0.000) 0.867 2.737 ( 0.000 -0.764 0.000) 0.764 2.782 ( 0.000 -1.105 0.000) 1.105 2.794 ( 0.000 2.034 0.000) 2.034 2.882 ( 0.000 2.532 0.000) 2.532 2.887 ( 0.000 2.312 0.000) 2.312 2.902 ( 0.000 3.322 0.000) 3.322 3.129 ( 0.000 -5.397 0.000) 5.397 3.145 ( 0.000 -1.972 -0.000) 1.972 3.157 ( -0.000 -3.439 0.000) 3.439 3.229 ( 0.000 -8.986 0.000) 8.986 3.327 ( 0.000 0.263 0.000) 0.263 3.393 ( 0.000 -1.421 0.000) 1.421 3.455 ( -0.000 0.255 0.000) 0.255 3.466 ( 0.000 8.882 0.000) 8.882 3.567 ( 0.000 -8.030 -0.000) 8.030 3.820 ( 0.000 -6.936 -0.000) 6.936 3.875 ( 0.000 0.067 0.000) 0.067 3.900 ( 0.000 -0.016 0.000) 0.016 3.946 ( 0.000 3.348 0.000) 3.348 4.010 ( 0.000 0.887 0.000) 0.887 4.259 ( 0.000 1.378 0.000) 1.378 4.268 ( 0.000 7.930 0.000) 7.930 4.278 ( 0.000 -2.810 0.000) 2.810 4.440 ( 0.000 3.189 0.000) 3.189 4.527 ( 0.000 0.885 0.000) 0.885 4.573 ( 0.000 0.460 -0.000) 0.460 4.583 ( 0.000 -2.306 0.000) 2.306 4.612 ( 0.000 -1.115 0.000) 1.115 7.256 ( 0.000 -1.030 0.000) 1.030 7.266 ( 0.000 -1.547 -0.000) 1.547 7.305 ( 0.000 0.775 -0.000) 0.775 7.308 ( 0.000 0.030 0.000) 0.030 7.501 ( 0.000 1.622 0.000) 1.622 7.618 ( 0.000 6.271 0.000) 6.271 7.692 ( 0.000 -6.686 0.000) 6.686 7.818 ( 0.000 -1.812 0.000) 1.812 10.393 ( 0.000 0.752 0.000) 0.752 10.447 ( 0.000 3.286 0.000) 3.286 10.510 ( 0.000 -4.877 0.000) 4.877 10.604 ( 0.000 -2.864 0.000) 2.864 11.175 ( 0.000 8.923 0.000) 8.923 11.219 ( 0.000 8.634 0.000) 8.634 11.622 ( 0.000 -9.719 0.000) 9.719 11.648 ( 0.000 -10.340 0.000) 10.340 12.234 ( 0.000 3.306 -0.000) 3.306 12.277 ( 0.000 -0.374 0.000) 0.374 12.288 ( -0.000 5.076 0.000) 5.076 12.354 ( 0.000 1.996 0.000) 1.996 12.836 ( 0.000 -5.527 0.000) 5.527 12.920 ( 0.000 -8.033 0.000) 8.033 13.093 ( 0.000 5.311 0.000) 5.311 13.188 ( 0.000 2.540 0.000) 2.540 13.336 ( 0.000 1.701 0.000) 1.701 13.534 ( 0.000 -4.637 0.000) 4.637 13.612 ( 0.000 11.537 0.000) 11.537 13.688 ( 0.000 2.146 0.000) 2.146 13.801 ( 0.000 -0.548 0.000) 0.548 13.852 ( 0.000 3.376 0.000) 3.376 13.883 ( 0.000 -3.357 0.000) 3.357 13.921 ( 0.000 -1.436 0.000) 1.436 13.991 ( 0.000 -2.228 -0.000) 2.228 14.121 ( 0.000 -1.151 0.000) 1.151 14.140 ( 0.000 1.749 -0.000) 1.749 14.142 ( 0.000 3.540 0.000) 3.540 14.274 ( 0.000 -1.285 0.000) 1.285 14.278 ( 0.000 -2.970 -0.000) 2.970 14.292 ( 0.000 0.831 0.000) 0.831 14.388 ( 0.000 1.023 0.000) 1.023 15.243 ( 0.000 -7.949 0.000) 7.949 15.258 ( 0.000 -8.807 0.000) 8.807 15.469 ( 0.000 3.750 0.000) 3.750 15.524 ( 0.000 2.384 0.000) 2.384 15.544 ( 0.000 -0.723 0.000) 0.723 15.645 ( 0.000 -4.706 0.000) 4.706 15.795 ( 0.000 7.221 0.000) 7.221 15.858 ( 0.000 3.861 0.000) 3.861 ======================= Grid point 171 (56/60) ======================= q-point: ( 0.00 -0.50 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 -0.000 0.000) 0.000 0.584 ( 0.000 -0.000 0.000) 0.000 0.682 ( 0.000 0.000 0.000) 0.000 0.682 ( 0.000 0.000 0.000) 0.000 0.764 ( 0.000 -0.000 0.000) 0.000 0.764 ( 0.000 0.000 0.000) 0.000 0.895 ( 0.000 -0.000 0.000) 0.000 0.895 ( 0.000 0.000 0.000) 0.000 1.001 ( 0.000 0.000 0.000) 0.000 1.001 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 -0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 -0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 -0.000 -0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 -0.000 -0.000) 0.000 1.528 ( 0.000 -0.000 -0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 -0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.778 ( 0.000 0.000 0.000) 0.000 1.778 ( 0.000 0.000 0.000) 0.000 1.883 ( 0.000 0.000 0.000) 0.000 1.883 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 -0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 -0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 -0.000 -0.000) 0.000 2.227 ( 0.000 0.000 -0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 -0.000) 0.000 2.321 ( 0.000 0.000 -0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 -0.000 0.000) 0.000 2.510 ( 0.000 -0.000 0.000) 0.000 2.556 ( 0.000 0.000 -0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 -0.000 -0.000) 0.000 2.572 ( 0.000 -0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.904 ( 0.000 0.000 -0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 -0.000 0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 -0.000) 0.000 3.205 ( 0.000 -0.000 0.000) 0.000 3.452 ( 0.000 -0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 -0.000 -0.000) 0.000 3.462 ( 0.000 0.000 -0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 -0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 7.137 ( 0.000 0.000 0.000) 0.000 7.137 ( 0.000 0.000 0.000) 0.000 7.232 ( 0.000 0.000 0.000) 0.000 7.232 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 -0.000 -0.000) 0.000 7.545 ( 0.000 0.000 -0.000) 0.000 7.571 ( 0.000 -0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.581 ( 0.000 0.000 0.000) 0.000 11.581 ( 0.000 0.000 0.000) 0.000 11.973 ( 0.000 0.000 0.000) 0.000 11.973 ( 0.000 0.000 0.000) 0.000 12.551 ( 0.000 0.000 0.000) 0.000 12.551 ( 0.000 0.000 0.000) 0.000 12.952 ( 0.000 0.000 0.000) 0.000 12.952 ( 0.000 0.000 0.000) 0.000 13.095 ( 0.000 0.000 0.000) 0.000 13.095 ( 0.000 0.000 0.000) 0.000 13.266 ( 0.000 0.000 0.000) 0.000 13.266 ( 0.000 0.000 0.000) 0.000 13.515 ( 0.000 0.000 0.000) 0.000 13.515 ( 0.000 0.000 0.000) 0.000 13.824 ( 0.000 0.000 0.000) 0.000 13.824 ( 0.000 0.000 0.000) 0.000 14.017 ( 0.000 -0.000 0.000) 0.000 14.017 ( 0.000 0.000 0.000) 0.000 14.028 ( 0.000 -0.000 -0.000) 0.000 14.028 ( 0.000 0.000 -0.000) 0.000 14.127 ( 0.000 0.000 -0.000) 0.000 14.127 ( 0.000 0.000 0.000) 0.000 14.321 ( 0.000 0.000 0.000) 0.000 14.321 ( 0.000 0.000 0.000) 0.000 14.550 ( 0.000 0.000 0.000) 0.000 14.550 ( 0.000 0.000 0.000) 0.000 15.206 ( 0.000 -0.000 0.000) 0.000 15.206 ( 0.000 -0.000 0.000) 0.000 15.474 ( 0.000 -0.000 0.000) 0.000 15.474 ( 0.000 0.000 0.000) 0.000 15.703 ( 0.000 -0.000 0.000) 0.000 15.703 ( 0.000 0.000 0.000) 0.000 16.063 ( 0.000 0.000 0.000) 0.000 16.063 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 175 (57/60) ======================= q-point: ( 0.12 -0.50 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.548 ( -4.054 -1.561 0.000) 4.344 0.548 ( -4.054 1.561 0.000) 4.344 0.681 ( 0.978 -0.510 0.000) 1.103 0.681 ( 0.978 0.510 0.000) 1.103 0.815 ( 5.092 -0.722 0.000) 5.143 0.815 ( 5.092 0.722 0.000) 5.143 0.941 ( 3.634 -4.299 0.000) 5.629 0.941 ( 3.634 4.299 0.000) 5.629 0.994 ( -0.667 -3.908 0.000) 3.964 0.994 ( -0.667 3.908 0.000) 3.964 1.270 ( -2.806 -0.824 0.000) 2.925 1.270 ( -2.806 0.824 0.000) 2.925 1.329 ( -1.416 -3.980 0.000) 4.224 1.329 ( -1.416 3.980 0.000) 4.224 1.401 ( -3.389 -0.803 -0.000) 3.483 1.401 ( -3.389 0.803 0.000) 3.483 1.433 ( -2.301 -4.132 0.000) 4.729 1.433 ( -2.301 4.132 0.000) 4.729 1.474 ( -1.712 -0.395 0.000) 1.757 1.474 ( -1.712 0.395 0.000) 1.757 1.539 ( 0.823 -0.598 0.000) 1.017 1.539 ( 0.823 0.598 0.000) 1.017 1.636 ( 2.701 -2.064 0.000) 3.399 1.636 ( 2.701 2.064 0.000) 3.399 1.673 ( -0.036 -1.258 -0.000) 1.258 1.673 ( -0.036 1.258 0.000) 1.258 1.786 ( -1.656 -0.230 0.000) 1.672 1.786 ( -1.656 0.230 0.000) 1.672 1.830 ( -1.221 -1.690 0.000) 2.085 1.830 ( -1.221 1.690 0.000) 2.085 1.882 ( -1.719 -0.431 0.000) 1.772 1.882 ( -1.719 0.431 0.000) 1.772 1.959 ( -0.005 -1.052 0.000) 1.052 1.959 ( -0.005 1.052 0.000) 1.052 1.996 ( 1.334 -0.233 0.000) 1.354 1.996 ( 1.334 0.233 0.000) 1.354 2.010 ( 1.072 -0.251 0.000) 1.101 2.010 ( 1.072 0.251 -0.000) 1.101 2.112 ( 0.705 -1.172 0.000) 1.368 2.112 ( 0.705 1.172 0.000) 1.368 2.172 ( -3.544 -2.164 0.000) 4.152 2.172 ( -3.544 2.164 0.000) 4.152 2.218 ( -0.151 -0.665 0.000) 0.682 2.218 ( -0.151 0.665 0.000) 0.682 2.311 ( -0.361 -0.376 0.000) 0.521 2.311 ( -0.361 0.376 0.000) 0.521 2.375 ( 3.793 -3.673 0.000) 5.280 2.375 ( 3.793 3.673 0.000) 5.280 2.433 ( 3.250 -0.277 0.000) 3.262 2.433 ( 3.250 0.277 0.000) 3.262 2.532 ( 1.658 -1.246 0.000) 2.074 2.532 ( 1.658 1.246 0.000) 2.074 2.554 ( 1.071 -1.807 0.000) 2.100 2.554 ( 1.071 1.807 0.000) 2.100 2.591 ( 1.455 -1.228 0.000) 1.904 2.591 ( 1.455 1.228 0.000) 1.904 2.787 ( -1.746 -2.616 0.000) 3.145 2.787 ( -1.746 2.616 0.000) 3.145 2.847 ( -3.898 -0.160 0.000) 3.901 2.847 ( -3.898 0.160 0.000) 3.901 2.992 ( 2.011 -6.075 0.000) 6.399 2.992 ( 2.011 6.075 0.000) 6.399 3.081 ( -2.122 -5.239 0.000) 5.653 3.081 ( -2.122 5.239 0.000) 5.653 3.224 ( 1.073 -1.940 0.000) 2.217 3.224 ( 1.073 1.940 -0.000) 2.217 3.429 ( -2.725 -7.022 0.000) 7.532 3.429 ( -2.725 7.022 0.000) 7.532 3.449 ( -0.604 -0.451 -0.000) 0.754 3.449 ( -0.604 0.451 0.000) 0.754 3.624 ( -0.525 -4.589 0.000) 4.619 3.624 ( -0.525 4.589 0.000) 4.619 3.850 ( 3.520 -3.628 0.000) 5.055 3.850 ( 3.520 3.628 0.000) 5.055 4.070 ( -0.271 -0.240 0.000) 0.362 4.070 ( -0.271 0.240 0.000) 0.362 4.172 ( 2.399 -2.660 0.000) 3.582 4.172 ( 2.399 2.660 0.000) 3.582 4.409 ( -4.644 -1.299 0.000) 4.822 4.409 ( -4.644 1.299 0.000) 4.822 4.610 ( 1.536 -2.818 0.000) 3.210 4.610 ( 1.536 2.818 0.000) 3.210 4.735 ( -2.184 -1.159 0.000) 2.473 4.735 ( -2.184 1.159 0.000) 2.473 7.156 ( 1.750 -0.058 0.000) 1.751 7.156 ( 1.750 0.058 0.000) 1.751 7.255 ( 2.064 -0.667 0.000) 2.169 7.255 ( 2.064 0.667 0.000) 2.169 7.530 ( -0.594 -4.642 0.000) 4.680 7.530 ( -0.594 4.642 0.000) 4.680 7.608 ( 2.919 -5.691 0.000) 6.396 7.608 ( 2.919 5.691 0.000) 6.396 10.398 ( 0.294 -0.205 0.000) 0.358 10.398 ( 0.294 0.205 0.000) 0.358 10.916 ( -7.570 -1.041 0.000) 7.641 10.916 ( -7.570 1.041 0.000) 7.641 11.325 ( 3.145 -2.850 0.000) 4.244 11.325 ( 3.145 2.850 0.000) 4.244 11.541 ( -3.603 -2.851 0.000) 4.595 11.541 ( -3.603 2.851 0.000) 4.595 11.999 ( 2.734 -1.033 0.000) 2.923 11.999 ( 2.734 1.033 0.000) 2.923 12.532 ( -1.884 -0.430 0.000) 1.933 12.532 ( -1.884 0.430 0.000) 1.933 12.944 ( -1.285 -3.332 0.000) 3.571 12.944 ( -1.285 3.332 0.000) 3.571 13.121 ( 2.336 -1.903 0.000) 3.013 13.121 ( 2.336 1.903 0.000) 3.013 13.298 ( 2.900 -2.855 0.000) 4.069 13.298 ( 2.900 2.855 0.000) 4.069 13.524 ( 1.347 -0.799 0.000) 1.566 13.524 ( 1.347 0.799 0.000) 1.566 13.842 ( 1.663 -2.283 0.000) 2.824 13.842 ( 1.663 2.283 0.000) 2.824 14.007 ( -1.306 -5.109 0.000) 5.273 14.007 ( -1.306 5.109 0.000) 5.273 14.043 ( 1.560 -2.202 0.000) 2.699 14.043 ( 1.560 2.202 -0.000) 2.699 14.139 ( 1.359 -0.715 0.000) 1.536 14.139 ( 1.359 0.715 0.000) 1.536 14.269 ( -5.109 -1.662 0.000) 5.373 14.269 ( -5.109 1.662 0.000) 5.373 14.524 ( -2.604 -0.837 0.000) 2.736 14.524 ( -2.604 0.837 0.000) 2.736 15.197 ( -0.902 -0.138 0.000) 0.913 15.197 ( -0.902 0.138 0.000) 0.913 15.486 ( 1.099 -1.747 0.000) 2.064 15.486 ( 1.099 1.747 0.000) 2.064 15.679 ( -2.318 -1.683 0.000) 2.864 15.679 ( -2.318 1.683 0.000) 2.864 16.035 ( -2.763 -0.574 0.000) 2.822 16.035 ( -2.763 0.574 0.000) 2.822 ======================= Grid point 179 (58/60) ======================= q-point: ( 0.25 -0.50 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.462 ( -4.018 -2.198 0.000) 4.580 0.462 ( -4.018 2.198 0.000) 4.580 0.713 ( 1.829 -1.758 0.000) 2.537 0.713 ( 1.829 1.758 0.000) 2.537 0.920 ( 4.780 -2.328 0.000) 5.317 0.920 ( 4.780 2.328 0.000) 5.317 0.965 ( -2.229 -1.103 -0.000) 2.487 0.965 ( -2.229 1.103 -0.000) 2.487 1.011 ( 2.735 -1.371 0.000) 3.060 1.011 ( 2.735 1.371 0.000) 3.060 1.202 ( -4.040 -2.693 0.000) 4.855 1.202 ( -4.040 2.693 0.000) 4.855 1.260 ( -3.611 -0.514 0.000) 3.647 1.260 ( -3.611 0.514 0.000) 3.647 1.337 ( -1.424 -1.929 0.000) 2.398 1.337 ( -1.424 1.929 0.000) 2.398 1.450 ( -0.610 -0.149 0.000) 0.628 1.450 ( -0.610 0.149 0.000) 0.628 1.477 ( 3.963 -1.398 0.000) 4.203 1.477 ( 3.963 1.398 0.000) 4.203 1.543 ( -0.125 -0.738 0.000) 0.748 1.543 ( -0.125 0.738 0.000) 0.748 1.657 ( -0.556 -0.648 0.000) 0.854 1.657 ( -0.556 0.648 0.000) 0.854 1.672 ( -0.110 -2.530 0.000) 2.533 1.672 ( -0.110 2.530 -0.000) 2.533 1.731 ( -3.344 -0.937 0.000) 3.472 1.731 ( -3.344 0.937 0.000) 3.472 1.773 ( -4.005 -2.621 0.000) 4.786 1.773 ( -4.005 2.621 0.000) 4.786 1.873 ( -0.078 -1.955 0.000) 1.956 1.873 ( -0.078 1.955 0.000) 1.956 1.913 ( -3.255 -0.601 0.000) 3.310 1.913 ( -3.255 0.601 0.000) 3.310 2.013 ( -0.672 -0.759 0.000) 1.014 2.013 ( -0.672 0.759 0.000) 1.014 2.043 ( 1.414 -1.130 0.000) 1.810 2.043 ( 1.414 1.130 0.000) 1.810 2.119 ( -1.351 -1.538 0.000) 2.048 2.119 ( -1.351 1.538 0.000) 2.048 2.155 ( 3.142 -0.950 -0.000) 3.283 2.155 ( 3.142 0.950 0.000) 3.283 2.233 ( 1.256 -0.799 0.000) 1.488 2.233 ( 1.256 0.799 0.000) 1.488 2.276 ( -2.367 -2.149 0.000) 3.197 2.276 ( -2.367 2.149 0.000) 3.197 2.434 ( 2.180 -0.657 0.000) 2.276 2.434 ( 2.180 0.657 0.000) 2.276 2.504 ( 3.748 -2.175 0.000) 4.333 2.504 ( 3.748 2.175 0.000) 4.333 2.553 ( 1.155 -0.300 0.000) 1.193 2.553 ( 1.155 0.300 0.000) 1.193 2.606 ( 2.280 -0.947 0.000) 2.469 2.606 ( 2.280 0.947 0.000) 2.469 2.631 ( 3.084 -2.590 0.000) 4.028 2.631 ( 3.084 2.590 0.000) 4.028 2.767 ( -1.323 -1.826 0.000) 2.254 2.767 ( -1.323 1.826 0.000) 2.254 2.787 ( -0.251 -0.871 0.000) 0.907 2.787 ( -0.251 0.871 0.000) 0.907 3.004 ( -1.779 -5.599 0.000) 5.875 3.004 ( -1.779 5.599 0.000) 5.875 3.053 ( 0.261 -8.050 0.000) 8.054 3.053 ( 0.261 8.050 0.000) 8.054 3.214 ( -2.427 -0.689 0.000) 2.523 3.214 ( -2.427 0.689 -0.000) 2.523 3.383 ( -1.578 -2.870 0.000) 3.275 3.383 ( -1.578 2.870 0.000) 3.275 3.438 ( -0.209 -5.372 0.000) 5.377 3.438 ( -0.209 5.372 0.000) 5.377 3.634 ( 1.164 -4.694 0.000) 4.836 3.634 ( 1.164 4.694 0.000) 4.836 3.897 ( 1.161 -1.790 0.000) 2.133 3.897 ( 1.161 1.790 0.000) 2.133 4.054 ( -1.538 -0.277 0.000) 1.562 4.054 ( -1.538 0.277 0.000) 1.562 4.233 ( 3.303 -4.746 0.000) 5.782 4.233 ( 3.303 4.746 0.000) 5.782 4.337 ( -1.879 -0.932 0.000) 2.097 4.337 ( -1.879 0.932 0.000) 2.097 4.613 ( -1.337 -4.751 0.000) 4.935 4.613 ( -1.337 4.751 0.000) 4.935 4.683 ( -2.963 -2.522 0.000) 3.891 4.683 ( -2.963 2.522 0.000) 3.891 7.195 ( 2.150 -0.224 0.000) 2.162 7.195 ( 2.150 0.224 0.000) 2.162 7.294 ( 1.623 -0.378 0.000) 1.667 7.294 ( 1.623 0.378 0.000) 1.667 7.532 ( 0.814 -4.892 0.000) 4.960 7.532 ( 0.814 4.892 0.000) 4.960 7.669 ( 3.177 -5.938 0.000) 6.734 7.669 ( 3.177 5.938 0.000) 6.734 10.405 ( 0.483 -0.501 0.000) 0.696 10.405 ( 0.483 0.501 0.000) 0.696 10.749 ( -9.043 -1.619 0.000) 9.187 10.749 ( -9.043 1.619 0.000) 9.187 11.373 ( 1.645 -8.046 0.000) 8.212 11.373 ( 1.645 8.046 0.000) 8.212 11.473 ( -2.891 -7.448 0.000) 7.989 11.473 ( -2.891 7.448 0.000) 7.989 12.076 ( 5.241 -1.157 0.000) 5.367 12.076 ( 5.241 1.157 0.000) 5.367 12.485 ( -2.872 -0.620 0.000) 2.938 12.485 ( -2.872 0.620 0.000) 2.938 12.896 ( -3.401 -1.479 0.000) 3.708 12.896 ( -3.401 1.479 0.000) 3.708 13.166 ( 1.910 -0.596 0.000) 2.001 13.166 ( 1.910 0.596 0.000) 2.001 13.350 ( 2.250 -3.372 0.000) 4.054 13.350 ( 2.250 3.372 0.000) 4.054 13.587 ( 5.057 -1.437 0.000) 5.258 13.587 ( 5.057 1.437 0.000) 5.258 13.862 ( -0.437 -2.781 0.000) 2.815 13.862 ( -0.437 2.781 0.000) 2.815 13.981 ( -0.488 -2.685 0.000) 2.729 13.981 ( -0.488 2.685 -0.000) 2.729 14.080 ( 1.394 -1.616 0.000) 2.134 14.080 ( 1.394 1.616 0.000) 2.134 14.145 ( -5.431 -2.761 -0.000) 6.093 14.145 ( -5.431 2.761 0.000) 6.093 14.183 ( 1.971 -1.257 0.000) 2.338 14.183 ( 1.971 1.257 -0.000) 2.338 14.460 ( -3.762 -1.236 0.000) 3.960 14.460 ( -3.762 1.236 0.000) 3.960 15.177 ( -1.082 -0.267 0.000) 1.115 15.177 ( -1.082 0.267 0.000) 1.115 15.510 ( 1.267 -3.036 0.000) 3.289 15.510 ( 1.267 3.036 0.000) 3.289 15.626 ( -2.849 -2.734 0.000) 3.949 15.626 ( -2.849 2.734 0.000) 3.949 15.970 ( -3.658 -0.954 0.000) 3.781 15.970 ( -3.658 0.954 0.000) 3.781 ======================= Grid point 183 (59/60) ======================= q-point: ( 0.38 -0.50 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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| 0.411 ( -1.300 -3.712 0.000) 3.933 0.411 ( -1.300 3.712 0.000) 3.933 0.737 ( 0.572 -3.017 0.000) 3.071 0.737 ( 0.572 3.017 0.000) 3.071 0.902 ( -3.444 -2.566 0.000) 4.295 0.902 ( -3.444 2.566 0.000) 4.295 0.988 ( 2.488 -1.633 0.000) 2.976 0.988 ( 2.488 1.633 0.000) 2.976 1.040 ( 0.237 -0.709 -0.000) 0.748 1.040 ( 0.237 0.709 -0.000) 0.748 1.123 ( -2.882 -2.967 0.000) 4.136 1.123 ( -2.882 2.967 0.000) 4.136 1.230 ( -1.254 -0.020 0.000) 1.254 1.230 ( -1.254 0.020 0.000) 1.254 1.341 ( 1.514 -2.413 0.000) 2.848 1.341 ( 1.514 2.413 0.000) 2.848 1.454 ( 1.112 -0.014 0.000) 1.112 1.454 ( 1.112 0.014 0.000) 1.112 1.522 ( -0.255 -1.347 0.000) 1.371 1.522 ( -0.255 1.347 0.000) 1.371 1.576 ( 4.363 -1.551 0.000) 4.631 1.576 ( 4.363 1.551 0.000) 4.631 1.621 ( -4.891 -0.272 0.000) 4.899 1.621 ( -4.891 0.272 0.000) 4.899 1.643 ( -0.589 -0.139 -0.000) 0.606 1.643 ( -0.589 0.139 -0.000) 0.606 1.689 ( -0.282 -0.111 0.000) 0.303 1.689 ( -0.282 0.111 0.000) 0.303 1.734 ( -0.435 -2.270 0.000) 2.311 1.734 ( -0.435 2.270 -0.000) 2.311 1.832 ( -3.056 -1.375 0.000) 3.351 1.832 ( -3.056 1.375 0.000) 3.351 1.889 ( -0.144 -1.640 0.000) 1.646 1.889 ( -0.144 1.640 0.000) 1.646 1.953 ( -4.298 -0.893 0.000) 4.390 1.953 ( -4.298 0.893 0.000) 4.390 2.069 ( 0.905 -1.490 0.000) 1.743 2.069 ( 0.905 1.490 0.000) 1.743 2.111 ( -0.005 -0.185 0.000) 0.185 2.111 ( -0.005 0.185 0.000) 0.185 2.203 ( 0.472 -1.254 0.000) 1.340 2.203 ( 0.472 1.254 0.000) 1.340 2.216 ( -0.303 -1.129 0.000) 1.169 2.216 ( -0.303 1.129 0.000) 1.169 2.290 ( 2.140 -0.526 0.000) 2.204 2.290 ( 2.140 0.526 0.000) 2.204 2.471 ( 1.930 -1.331 0.000) 2.345 2.471 ( 1.930 1.331 0.000) 2.345 2.561 ( 1.786 -3.360 0.000) 3.805 2.561 ( 1.786 3.360 0.000) 3.805 2.574 ( 0.833 -0.501 0.000) 0.972 2.574 ( 0.833 0.501 0.000) 0.972 2.624 ( -0.074 -0.932 0.000) 0.934 2.624 ( -0.074 0.932 0.000) 0.934 2.675 ( 0.410 -2.131 0.000) 2.170 2.675 ( 0.410 2.131 0.000) 2.170 2.743 ( 0.944 -0.003 0.000) 0.944 2.743 ( 0.944 0.003 0.000) 0.944 2.849 ( 4.097 -2.669 0.000) 4.889 2.849 ( 4.097 2.669 0.000) 4.889 2.959 ( -1.530 -6.049 0.000) 6.240 2.959 ( -1.530 6.049 0.000) 6.240 3.055 ( -1.434 -4.363 0.000) 4.593 3.055 ( -1.434 4.363 0.000) 4.593 3.156 ( -2.483 -0.020 0.000) 2.483 3.156 ( -2.483 0.020 -0.000) 2.483 3.361 ( -0.887 -1.747 0.000) 1.959 3.361 ( -0.887 1.747 0.000) 1.959 3.452 ( 1.483 -3.240 0.000) 3.563 3.452 ( 1.483 3.240 0.000) 3.563 3.652 ( 0.428 -6.927 0.000) 6.940 3.652 ( 0.428 6.927 0.000) 6.940 3.898 ( -0.737 -0.092 0.000) 0.742 3.898 ( -0.737 0.092 0.000) 0.742 4.019 ( -1.674 -1.319 0.000) 2.132 4.019 ( -1.674 1.319 0.000) 2.132 4.258 ( -0.180 -1.533 0.000) 1.543 4.258 ( -0.180 1.533 0.000) 1.543 4.369 ( 4.038 -4.331 0.000) 5.922 4.369 ( 4.038 4.331 0.000) 5.922 4.574 ( -1.982 -4.367 0.000) 4.796 4.574 ( -1.982 4.367 0.000) 4.796 4.624 ( -3.240 -1.410 -0.000) 3.534 4.624 ( -3.240 1.410 0.000) 3.534 7.231 ( 1.518 -0.300 0.000) 1.547 7.231 ( 1.518 0.300 0.000) 1.548 7.311 ( 0.187 -0.088 0.000) 0.206 7.311 ( 0.187 0.088 0.000) 0.206 7.555 ( 1.297 -5.120 0.000) 5.282 7.555 ( 1.297 5.120 0.000) 5.282 7.721 ( 2.021 -5.726 0.000) 6.072 7.721 ( 2.021 5.726 0.000) 6.072 10.417 ( 0.812 -1.330 0.000) 1.558 10.417 ( 0.812 1.330 0.000) 1.558 10.595 ( -6.508 -2.627 0.000) 7.018 10.595 ( -6.508 2.627 0.000) 7.018 11.392 ( 0.654 -10.050 0.000) 10.071 11.392 ( 0.654 10.050 0.000) 10.071 11.435 ( -1.402 -8.226 0.000) 8.345 11.435 ( -1.402 8.226 0.000) 8.345 12.189 ( 6.121 -0.492 0.000) 6.141 12.189 ( 6.121 0.492 0.000) 6.141 12.422 ( -3.827 -0.879 0.000) 3.927 12.422 ( -3.827 0.879 0.000) 3.927 12.833 ( -2.738 -1.431 0.000) 3.089 12.833 ( -2.738 1.431 0.000) 3.089 13.183 ( -0.025 -2.015 0.000) 2.015 13.183 ( -0.025 2.015 0.000) 2.015 13.394 ( 2.435 -5.080 0.000) 5.634 13.394 ( 2.435 5.080 0.000) 5.634 13.681 ( 3.871 -1.144 0.000) 4.036 13.681 ( 3.871 1.144 0.000) 4.036 13.833 ( -1.512 -1.852 0.000) 2.391 13.833 ( -1.512 1.852 0.000) 2.391 13.969 ( -3.644 -1.110 0.000) 3.809 13.969 ( -3.644 1.110 0.000) 3.809 14.021 ( -1.265 -5.466 0.000) 5.610 14.021 ( -1.265 5.466 0.000) 5.610 14.148 ( 2.351 -0.631 0.000) 2.434 14.148 ( 2.351 0.631 0.000) 2.434 14.227 ( 2.003 -0.979 0.000) 2.229 14.227 ( 2.003 0.979 0.000) 2.229 14.391 ( -3.115 -2.526 0.000) 4.010 14.391 ( -3.115 2.526 0.000) 4.010 15.159 ( -0.663 -0.337 0.000) 0.744 15.159 ( -0.663 0.337 0.000) 0.744 15.527 ( 0.356 -1.647 0.000) 1.685 15.527 ( 0.356 1.647 0.000) 1.685 15.582 ( -1.473 -0.894 0.000) 1.723 15.582 ( -1.473 0.894 0.000) 1.723 15.909 ( -2.452 -1.323 0.000) 2.786 15.909 ( -2.452 1.323 0.000) 2.786 ======================= Grid point 187 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 0.000 -4.599 0.000) 4.599 0.402 ( 0.000 4.599 0.000) 4.599 0.741 ( 0.000 -3.656 0.000) 3.656 0.741 ( 0.000 3.656 0.000) 3.656 0.865 ( 0.000 -2.533 0.000) 2.533 0.865 ( 0.000 2.533 0.000) 2.533 1.021 ( -0.000 -1.056 0.000) 1.056 1.021 ( 0.000 1.056 0.000) 1.056 1.024 ( 0.000 -3.361 0.000) 3.361 1.024 ( 0.000 3.361 0.000) 3.361 1.107 ( 0.000 -0.275 0.000) 0.275 1.107 ( 0.000 0.275 0.000) 0.275 1.210 ( 0.000 -0.262 0.000) 0.262 1.210 ( 0.000 0.262 0.000) 0.262 1.360 ( 0.000 -0.627 0.000) 0.627 1.360 ( 0.000 0.627 0.000) 0.627 1.491 ( -0.000 -2.954 0.000) 2.954 1.491 ( 0.000 2.954 0.000) 2.954 1.502 ( 0.000 -0.350 0.000) 0.350 1.502 ( 0.000 0.350 0.000) 0.350 1.551 ( -0.000 -2.971 0.000) 2.971 1.551 ( 0.000 2.971 0.000) 2.971 1.639 ( 0.000 -1.191 0.000) 1.191 1.639 ( 0.000 1.191 0.000) 1.191 1.644 ( 0.000 -2.045 0.000) 2.045 1.644 ( 0.000 2.045 0.000) 2.045 1.699 ( 0.000 -0.121 0.000) 0.121 1.699 ( 0.000 0.121 0.000) 0.121 1.716 ( -0.000 -1.929 0.000) 1.929 1.716 ( -0.000 1.929 0.000) 1.929 1.805 ( 0.000 -0.995 0.000) 0.995 1.805 ( 0.000 0.995 0.000) 0.995 1.875 ( 0.000 -0.261 0.000) 0.261 1.875 ( 0.000 0.261 0.000) 0.261 1.906 ( 0.000 -0.374 0.000) 0.374 1.906 ( 0.000 0.374 0.000) 0.374 2.076 ( 0.000 -2.497 0.000) 2.497 2.076 ( 0.000 2.497 0.000) 2.497 2.112 ( -0.000 -1.151 0.000) 1.151 2.112 ( 0.000 1.151 0.000) 1.151 2.193 ( 0.000 -2.083 0.000) 2.083 2.193 ( 0.000 2.083 0.000) 2.083 2.228 ( 0.000 -0.880 0.000) 0.880 2.228 ( 0.000 0.880 0.000) 0.880 2.313 ( 0.000 -1.203 0.000) 1.203 2.313 ( 0.000 1.203 0.000) 1.203 2.498 ( 0.000 -0.405 0.000) 0.405 2.498 ( 0.000 0.405 0.000) 0.405 2.569 ( 0.000 -4.629 0.000) 4.629 2.569 ( -0.000 4.629 0.000) 4.629 2.582 ( 0.000 -0.330 0.000) 0.330 2.582 ( 0.000 0.330 0.000) 0.330 2.618 ( 0.000 -6.516 0.000) 6.516 2.618 ( 0.000 6.516 0.000) 6.516 2.676 ( -0.000 -1.567 0.000) 1.567 2.676 ( 0.000 1.567 0.000) 1.567 2.765 ( 0.000 -0.892 0.000) 0.892 2.765 ( 0.000 0.892 0.000) 0.892 2.883 ( 0.000 -3.927 0.000) 3.927 2.883 ( 0.000 3.927 0.000) 3.927 2.984 ( 0.000 -7.627 0.000) 7.627 2.984 ( 0.000 7.627 0.000) 7.627 2.998 ( -0.000 -8.654 0.000) 8.654 2.998 ( -0.000 8.654 0.000) 8.654 3.136 ( 0.000 -0.837 0.000) 0.837 3.136 ( 0.000 0.837 -0.000) 0.837 3.352 ( 0.000 -1.981 0.000) 1.981 3.352 ( 0.000 1.981 0.000) 1.981 3.472 ( 0.000 -2.199 0.000) 2.199 3.472 ( 0.000 2.199 0.000) 2.199 3.652 ( 0.000 -9.301 0.000) 9.301 3.652 ( 0.000 9.301 0.000) 9.301 3.887 ( 0.000 -0.991 0.000) 0.991 3.887 ( 0.000 0.991 0.000) 0.991 4.002 ( 0.000 -1.813 0.000) 1.813 4.002 ( 0.000 1.813 0.000) 1.813 4.255 ( 0.000 -0.377 0.000) 0.377 4.255 ( 0.000 0.377 0.000) 0.377 4.421 ( 0.000 -5.768 0.000) 5.768 4.421 ( 0.000 5.768 0.000) 5.768 4.564 ( 0.000 -0.848 0.000) 0.848 4.564 ( 0.000 0.848 0.000) 0.848 4.572 ( -0.000 -2.742 0.000) 2.742 4.572 ( -0.000 2.742 0.000) 2.742 7.247 ( 0.000 -0.228 0.000) 0.228 7.247 ( 0.000 0.228 0.000) 0.228 7.310 ( 0.000 -0.103 0.000) 0.103 7.310 ( 0.000 0.103 0.000) 0.103 7.570 ( 0.000 -5.174 0.000) 5.174 7.570 ( 0.000 5.174 0.000) 5.174 7.741 ( 0.000 -5.609 0.000) 5.609 7.741 ( 0.000 5.609 0.000) 5.609 10.430 ( 0.000 -3.032 0.000) 3.032 10.430 ( 0.000 3.032 0.000) 3.032 10.525 ( 0.000 -4.415 0.000) 4.415 10.525 ( 0.000 4.415 0.000) 4.415 11.405 ( 0.000 -13.168 0.000) 13.168 11.405 ( 0.000 13.168 0.000) 13.168 11.415 ( -0.000 -10.736 0.000) 10.736 11.415 ( 0.000 10.736 0.000) 10.736 12.275 ( 0.000 -0.553 0.000) 0.553 12.275 ( 0.000 0.553 0.000) 0.553 12.360 ( 0.000 -1.725 0.000) 1.725 12.360 ( 0.000 1.725 0.000) 1.725 12.805 ( 0.000 -2.703 0.000) 2.703 12.805 ( 0.000 2.703 0.000) 2.703 13.180 ( 0.000 -2.990 0.000) 2.990 13.180 ( 0.000 2.990 0.000) 2.990 13.423 ( 0.000 -6.065 0.000) 6.065 13.423 ( 0.000 6.065 0.000) 6.065 13.719 ( 0.000 -0.635 0.000) 0.635 13.719 ( 0.000 0.635 0.000) 0.635 13.820 ( 0.000 -2.513 0.000) 2.513 13.820 ( 0.000 2.513 0.000) 2.513 13.911 ( 0.000 -1.620 0.000) 1.620 13.911 ( 0.000 1.620 0.000) 1.620 14.025 ( 0.000 -6.826 0.000) 6.826 14.025 ( 0.000 6.826 0.000) 6.826 14.175 ( 0.000 -0.918 0.000) 0.918 14.175 ( 0.000 0.918 0.000) 0.918 14.248 ( 0.000 -0.633 0.000) 0.633 14.248 ( 0.000 0.633 0.000) 0.633 14.357 ( 0.000 -4.091 0.000) 4.091 14.357 ( 0.000 4.091 0.000) 4.091 15.153 ( 0.000 -0.358 0.000) 0.358 15.153 ( 0.000 0.358 0.000) 0.358 15.527 ( 0.000 -1.787 0.000) 1.787 15.527 ( 0.000 1.787 0.000) 1.787 15.571 ( 0.000 -2.821 0.000) 2.821 15.571 ( 0.000 2.821 0.000) 2.821 15.884 ( 0.000 -1.552 0.000) 1.552 15.884 ( 0.000 1.552 0.000) 1.552 =================== 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 12.828 12.910 10.748 0.000 0.000 0.000 3/25344 20.0 3.213 3.269 2.823 0.000 0.000 0.000 3/25344 30.0 1.774 1.819 1.636 0.000 0.000 0.000 3/25344 40.0 1.255 1.309 1.188 0.000 0.000 -0.000 3/25344 50.0 0.985 1.046 0.944 0.000 0.000 -0.000 3/25344 60.0 0.816 0.880 0.787 0.000 0.000 -0.000 3/25344 70.0 0.699 0.763 0.676 0.000 0.000 -0.000 3/25344 80.0 0.613 0.675 0.593 0.000 0.000 -0.000 3/25344 90.0 0.546 0.606 0.528 0.000 0.000 -0.000 3/25344 100.0 0.493 0.550 0.477 0.000 0.000 -0.000 3/25344 110.0 0.450 0.504 0.435 0.000 0.000 -0.000 3/25344 120.0 0.414 0.466 0.400 0.000 0.000 -0.000 3/25344 130.0 0.384 0.433 0.370 0.000 0.000 -0.000 3/25344 140.0 0.358 0.405 0.345 0.000 0.000 -0.000 3/25344 150.0 0.336 0.380 0.323 0.000 0.000 -0.000 3/25344 160.0 0.316 0.359 0.304 0.000 0.000 -0.000 3/25344 170.0 0.299 0.339 0.287 0.000 0.000 -0.000 3/25344 180.0 0.283 0.322 0.272 0.000 0.000 -0.000 3/25344 190.0 0.269 0.307 0.259 0.000 0.000 -0.000 3/25344 200.0 0.256 0.293 0.247 0.000 0.000 -0.000 3/25344 210.0 0.245 0.280 0.236 0.000 0.000 -0.000 3/25344 220.0 0.235 0.268 0.226 0.000 0.000 -0.000 3/25344 230.0 0.225 0.257 0.216 0.000 0.000 -0.000 3/25344 240.0 0.216 0.247 0.208 0.000 0.000 -0.000 3/25344 250.0 0.208 0.238 0.200 0.000 0.000 -0.000 3/25344 260.0 0.200 0.230 0.193 0.000 0.000 -0.000 3/25344 270.0 0.193 0.222 0.186 0.000 0.000 -0.000 3/25344 280.0 0.187 0.214 0.180 0.000 0.000 -0.000 3/25344 290.0 0.181 0.207 0.174 0.000 0.000 -0.000 3/25344 300.0 0.175 0.201 0.168 0.000 0.000 -0.000 3/25344 310.0 0.170 0.195 0.163 0.000 0.000 -0.000 3/25344 320.0 0.165 0.189 0.158 0.000 0.000 -0.000 3/25344 330.0 0.160 0.183 0.154 0.000 0.000 -0.000 3/25344 340.0 0.155 0.178 0.149 0.000 0.000 -0.000 3/25344 350.0 0.151 0.173 0.145 0.000 0.000 -0.000 3/25344 360.0 0.147 0.169 0.141 0.000 0.000 -0.000 3/25344 370.0 0.143 0.164 0.138 0.000 0.000 -0.000 3/25344 380.0 0.140 0.160 0.134 0.000 0.000 -0.000 3/25344 390.0 0.136 0.156 0.131 0.000 0.000 -0.000 3/25344 400.0 0.133 0.153 0.128 0.000 0.000 -0.000 3/25344 410.0 0.130 0.149 0.125 0.000 0.000 -0.000 3/25344 420.0 0.127 0.146 0.122 0.000 0.000 -0.000 3/25344 430.0 0.124 0.142 0.119 0.000 0.000 -0.000 3/25344 440.0 0.121 0.139 0.116 0.000 0.000 -0.000 3/25344 450.0 0.118 0.136 0.114 0.000 0.000 -0.000 3/25344 460.0 0.116 0.133 0.111 0.000 0.000 -0.000 3/25344 470.0 0.114 0.131 0.109 0.000 0.000 -0.000 3/25344 480.0 0.111 0.128 0.107 0.000 0.000 -0.000 3/25344 490.0 0.109 0.125 0.105 0.000 0.000 -0.000 3/25344 500.0 0.107 0.123 0.103 0.000 0.000 -0.000 3/25344 510.0 0.105 0.121 0.101 0.000 0.000 -0.000 3/25344 520.0 0.103 0.118 0.099 0.000 0.000 -0.000 3/25344 530.0 0.101 0.116 0.097 0.000 0.000 -0.000 3/25344 540.0 0.099 0.114 0.095 0.000 0.000 -0.000 3/25344 550.0 0.097 0.112 0.094 0.000 0.000 -0.000 3/25344 560.0 0.096 0.110 0.092 0.000 0.000 -0.000 3/25344 570.0 0.094 0.108 0.090 0.000 0.000 -0.000 3/25344 580.0 0.092 0.106 0.089 0.000 0.000 -0.000 3/25344 590.0 0.091 0.105 0.087 0.000 0.000 -0.000 3/25344 600.0 0.089 0.103 0.086 0.000 0.000 -0.000 3/25344 610.0 0.088 0.101 0.085 0.000 0.000 -0.000 3/25344 620.0 0.087 0.100 0.083 0.000 0.000 -0.000 3/25344 630.0 0.085 0.098 0.082 0.000 0.000 -0.000 3/25344 640.0 0.084 0.097 0.081 0.000 0.000 -0.000 3/25344 650.0 0.083 0.095 0.079 0.000 0.000 -0.000 3/25344 660.0 0.081 0.094 0.078 0.000 0.000 -0.000 3/25344 670.0 0.080 0.092 0.077 0.000 0.000 -0.000 3/25344 680.0 0.079 0.091 0.076 0.000 0.000 -0.000 3/25344 690.0 0.078 0.090 0.075 0.000 0.000 -0.000 3/25344 700.0 0.077 0.088 0.074 0.000 0.000 -0.000 3/25344 710.0 0.076 0.087 0.073 0.000 0.000 -0.000 3/25344 720.0 0.075 0.086 0.072 0.000 0.000 -0.000 3/25344 730.0 0.074 0.085 0.071 0.000 0.000 -0.000 3/25344 740.0 0.073 0.084 0.070 0.000 0.000 -0.000 3/25344 750.0 0.072 0.083 0.069 0.000 0.000 -0.000 3/25344 760.0 0.071 0.082 0.068 0.000 0.000 -0.000 3/25344 770.0 0.070 0.081 0.067 0.000 0.000 -0.000 3/25344 780.0 0.069 0.080 0.066 0.000 0.000 -0.000 3/25344 790.0 0.068 0.079 0.066 0.000 0.000 -0.000 3/25344 800.0 0.067 0.078 0.065 0.000 0.000 -0.000 3/25344 810.0 0.066 0.077 0.064 0.000 0.000 -0.000 3/25344 820.0 0.066 0.076 0.063 0.000 0.000 -0.000 3/25344 830.0 0.065 0.075 0.062 0.000 0.000 -0.000 3/25344 840.0 0.064 0.074 0.062 0.000 0.000 -0.000 3/25344 850.0 0.063 0.073 0.061 0.000 0.000 -0.000 3/25344 860.0 0.063 0.072 0.060 0.000 0.000 -0.000 3/25344 870.0 0.062 0.071 0.060 0.000 0.000 -0.000 3/25344 880.0 0.061 0.071 0.059 0.000 0.000 -0.000 3/25344 890.0 0.061 0.070 0.058 0.000 0.000 -0.000 3/25344 900.0 0.060 0.069 0.058 0.000 0.000 -0.000 3/25344 910.0 0.059 0.068 0.057 0.000 0.000 -0.000 3/25344 920.0 0.059 0.068 0.056 0.000 0.000 -0.000 3/25344 930.0 0.058 0.067 0.056 0.000 0.000 -0.000 3/25344 940.0 0.057 0.066 0.055 0.000 0.000 -0.000 3/25344 950.0 0.057 0.065 0.055 0.000 0.000 -0.000 3/25344 960.0 0.056 0.065 0.054 0.000 0.000 -0.000 3/25344 970.0 0.056 0.064 0.053 0.000 0.000 -0.000 3/25344 980.0 0.055 0.063 0.053 0.000 0.000 -0.000 3/25344 990.0 0.054 0.063 0.052 0.000 0.000 -0.000 3/25344 1000.0 0.054 0.062 0.052 0.000 0.000 -0.000 3/25344 Thermal conductivity related properties were written into "kappa-m846.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:27:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|