----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:27:04]------------------------- 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: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.621826799999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.631053509999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.085118970000000 Atomic positions (fractional): *1 Na 0.61590177989507 0.85213495238121 0.95926932912116 22.990 *2 Na 0.20391964015781 0.38468181020448 0.24279645454195 22.990 3 Na 0.38409822010493 0.35213495238121 0.54073067087884 22.990 4 Na 0.29608035984219 0.61531818979552 0.74279645454195 22.990 5 Na 0.29608035984219 0.88468181020448 0.24279645454195 22.990 *6 Na 0.54899962029031 0.39545444850349 0.87629129875032 22.990 7 Na 0.88409822010493 0.14786504761879 0.45926932912116 22.990 8 Na 0.45100037970969 0.60454555149651 0.12370870124968 22.990 9 Na 0.95100037970969 0.60454555149651 0.37629129875032 22.990 10 Na 0.20391964015781 0.11531818979552 0.74279645454195 22.990 11 Na 0.70391964015781 0.11531818979552 0.75720354545805 22.990 12 Na 0.11590177989507 0.64786504761879 0.04073067087884 22.990 13 Na 0.61590177989507 0.64786504761879 0.45926932912116 22.990 14 Na 0.79608035984219 0.88468181020448 0.25720354545805 22.990 15 Na 0.95100037970969 0.89545444850349 0.87629129875032 22.990 16 Na 0.88409822010493 0.35213495238121 0.95926932912116 22.990 17 Na 0.11590177989507 0.85213495238121 0.54073067087884 22.990 18 Na 0.54899962029031 0.10454555149651 0.37629129875032 22.990 19 Na 0.04899962029031 0.39545444850349 0.62370870124968 22.990 20 Na 0.79608035984219 0.61531818979552 0.75720354545805 22.990 21 Na 0.70391964015781 0.38468181020448 0.25720354545805 22.990 22 Na 0.04899962029031 0.10454555149651 0.12370870124968 22.990 23 Na 0.45100037970969 0.89545444850349 0.62370870124968 22.990 24 Na 0.38409822010493 0.14786504761879 0.04073067087884 22.990 *25 N 0.71239102764147 0.12111241892660 0.09838558376771 14.007 26 N 0.78760897235853 0.62111241892660 0.09838558376771 14.007 27 N 0.71239102764147 0.37888758107340 0.59838558376771 14.007 28 N 0.21239102764147 0.37888758107340 0.90161441623229 14.007 29 N 0.78760897235853 0.87888758107340 0.59838558376771 14.007 30 N 0.28760897235853 0.62111241892660 0.40161441623229 14.007 31 N 0.28760897235853 0.87888758107340 0.90161441623229 14.007 32 N 0.21239102764147 0.12111241892660 0.40161441623229 14.007 *33 O 0.60560791988657 0.02172898959318 0.14071598658256 15.999 *34 O 0.19862758932043 0.65818690963373 0.27997230787467 15.999 35 O 0.89439208011343 0.97827101040682 0.64071598658256 15.999 *36 O 0.19070491053094 0.56900059830159 0.50984104498515 15.999 37 O 0.19862758932043 0.84181309036627 0.77997230787467 15.999 38 O 0.30929508946906 0.43099940169841 0.00984104498515 15.999 *39 O 0.63703930793559 0.26156889419433 0.54599212253737 15.999 40 O 0.10560791988656 0.47827101040682 0.85928401341744 15.999 41 O 0.69862758932043 0.65818690963373 0.22002769212533 15.999 42 O 0.39439208011344 0.52172898959318 0.35928401341744 15.999 43 O 0.13703930793559 0.26156889419433 0.95400787746263 15.999 44 O 0.80137241067957 0.34181309036627 0.72002769212533 15.999 45 O 0.30137241067957 0.34181309036627 0.77997230787467 15.999 46 O 0.13703930793559 0.23843110580567 0.45400787746262 15.999 47 O 0.39439208011344 0.97827101040682 0.85928401341744 15.999 48 O 0.80929508946906 0.06900059830159 0.99015895501485 15.999 49 O 0.19070491053094 0.93099940169841 0.00984104498515 15.999 50 O 0.36296069206441 0.76156889419433 0.95400787746263 15.999 51 O 0.36296069206441 0.73843110580567 0.45400787746262 15.999 52 O 0.86296069206441 0.76156889419433 0.54599212253737 15.999 53 O 0.80137241067957 0.15818690963373 0.22002769212533 15.999 54 O 0.60560791988657 0.47827101040682 0.64071598658256 15.999 55 O 0.10560791988656 0.02172898959318 0.35928401341744 15.999 56 O 0.80929508946906 0.43099940169841 0.49015895501485 15.999 57 O 0.30137241067957 0.15818690963373 0.27997230787467 15.999 58 O 0.89439208011343 0.52172898959318 0.14071598658256 15.999 59 O 0.86296069206441 0.73843110580567 0.04599212253738 15.999 60 O 0.69862758932043 0.84181309036627 0.72002769212533 15.999 61 O 0.63703930793559 0.23843110580567 0.04599212253738 15.999 62 O 0.30929508946906 0.06900059830159 0.50984104498515 15.999 63 O 0.69070491053094 0.56900059830159 0.99015895501485 15.999 64 O 0.69070491053094 0.93099940169841 0.49015895501485 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.621826799999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.631053509999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.085118970000000 Atomic positions (fractional): *1 Na 0.61590177989507 0.85213495238121 0.95926932912116 22.990 > 1 *2 Na 0.20391964015781 0.38468181020448 0.24279645454195 22.990 > 2 3 Na 0.38409822010493 0.35213495238121 0.54073067087884 22.990 > 3 4 Na 0.29608035984219 0.61531818979552 0.74279645454195 22.990 > 4 5 Na 0.29608035984219 0.88468181020448 0.24279645454195 22.990 > 5 *6 Na 0.54899962029031 0.39545444850349 0.87629129875032 22.990 > 6 7 Na 0.88409822010493 0.14786504761879 0.45926932912116 22.990 > 7 8 Na 0.45100037970969 0.60454555149651 0.12370870124968 22.990 > 8 9 Na 0.95100037970969 0.60454555149651 0.37629129875032 22.990 > 9 10 Na 0.20391964015781 0.11531818979552 0.74279645454195 22.990 > 10 11 Na 0.70391964015781 0.11531818979552 0.75720354545805 22.990 > 11 12 Na 0.11590177989507 0.64786504761879 0.04073067087884 22.990 > 12 13 Na 0.61590177989507 0.64786504761879 0.45926932912116 22.990 > 13 14 Na 0.79608035984219 0.88468181020448 0.25720354545805 22.990 > 14 15 Na 0.95100037970969 0.89545444850349 0.87629129875032 22.990 > 15 16 Na 0.88409822010493 0.35213495238121 0.95926932912116 22.990 > 16 17 Na 0.11590177989507 0.85213495238121 0.54073067087884 22.990 > 17 18 Na 0.54899962029031 0.10454555149651 0.37629129875032 22.990 > 18 19 Na 0.04899962029031 0.39545444850349 0.62370870124968 22.990 > 19 20 Na 0.79608035984219 0.61531818979552 0.75720354545805 22.990 > 20 21 Na 0.70391964015781 0.38468181020448 0.25720354545805 22.990 > 21 22 Na 0.04899962029031 0.10454555149651 0.12370870124968 22.990 > 22 23 Na 0.45100037970969 0.89545444850349 0.62370870124968 22.990 > 23 24 Na 0.38409822010493 0.14786504761879 0.04073067087884 22.990 > 24 *25 N 0.71239102764147 0.12111241892660 0.09838558376771 14.007 > 25 26 N 0.78760897235853 0.62111241892660 0.09838558376771 14.007 > 26 27 N 0.71239102764147 0.37888758107340 0.59838558376771 14.007 > 27 28 N 0.21239102764147 0.37888758107340 0.90161441623229 14.007 > 28 29 N 0.78760897235853 0.87888758107340 0.59838558376771 14.007 > 29 30 N 0.28760897235853 0.62111241892660 0.40161441623229 14.007 > 30 31 N 0.28760897235853 0.87888758107340 0.90161441623229 14.007 > 31 32 N 0.21239102764147 0.12111241892660 0.40161441623229 14.007 > 32 *33 O 0.60560791988657 0.02172898959318 0.14071598658256 15.999 > 33 *34 O 0.19862758932043 0.65818690963373 0.27997230787467 15.999 > 34 35 O 0.89439208011343 0.97827101040682 0.64071598658256 15.999 > 35 *36 O 0.19070491053094 0.56900059830159 0.50984104498515 15.999 > 36 37 O 0.19862758932043 0.84181309036627 0.77997230787467 15.999 > 37 38 O 0.30929508946906 0.43099940169841 0.00984104498515 15.999 > 38 *39 O 0.63703930793559 0.26156889419433 0.54599212253737 15.999 > 39 40 O 0.10560791988656 0.47827101040682 0.85928401341744 15.999 > 40 41 O 0.69862758932043 0.65818690963373 0.22002769212533 15.999 > 41 42 O 0.39439208011344 0.52172898959318 0.35928401341744 15.999 > 42 43 O 0.13703930793559 0.26156889419433 0.95400787746263 15.999 > 43 44 O 0.80137241067957 0.34181309036627 0.72002769212533 15.999 > 44 45 O 0.30137241067957 0.34181309036627 0.77997230787467 15.999 > 45 46 O 0.13703930793559 0.23843110580567 0.45400787746262 15.999 > 46 47 O 0.39439208011344 0.97827101040682 0.85928401341744 15.999 > 47 48 O 0.80929508946906 0.06900059830159 0.99015895501485 15.999 > 48 49 O 0.19070491053094 0.93099940169841 0.00984104498515 15.999 > 49 50 O 0.36296069206441 0.76156889419433 0.95400787746263 15.999 > 50 51 O 0.36296069206441 0.73843110580567 0.45400787746262 15.999 > 51 52 O 0.86296069206441 0.76156889419433 0.54599212253737 15.999 > 52 53 O 0.80137241067957 0.15818690963373 0.22002769212533 15.999 > 53 54 O 0.60560791988657 0.47827101040682 0.64071598658256 15.999 > 54 55 O 0.10560791988656 0.02172898959318 0.35928401341744 15.999 > 55 56 O 0.80929508946906 0.43099940169841 0.49015895501485 15.999 > 56 57 O 0.30137241067957 0.15818690963373 0.27997230787467 15.999 > 57 58 O 0.89439208011343 0.52172898959318 0.14071598658256 15.999 > 58 59 O 0.86296069206441 0.73843110580567 0.04599212253738 15.999 > 59 60 O 0.69862758932043 0.84181309036627 0.72002769212533 15.999 > 60 61 O 0.63703930793559 0.23843110580567 0.04599212253738 15.999 > 61 62 O 0.30929508946906 0.06900059830159 0.50984104498515 15.999 > 62 63 O 0.69070491053094 0.56900059830159 0.99015895501485 15.999 > 63 64 O 0.69070491053094 0.93099940169841 0.49015895501485 15.999 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.243653599999995 0.000000000000000 0.000000000000000 b 0.000000000000000 9.631053509999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.085118970000000 Atomic positions (fractional): *1 Na 0.30795088994753 0.85213495238121 0.95926932912116 22.990 > 1 2 Na 0.80795088994753 0.85213495238121 0.95926932912116 22.990 > 1 *3 Na 0.10195982007891 0.38468181020448 0.24279645454195 22.990 > 2 4 Na 0.60195982007891 0.38468181020448 0.24279645454195 22.990 > 2 5 Na 0.19204911005247 0.35213495238121 0.54073067087884 22.990 > 3 6 Na 0.69204911005247 0.35213495238121 0.54073067087884 22.990 > 3 7 Na 0.14804017992109 0.61531818979552 0.74279645454195 22.990 > 4 8 Na 0.64804017992109 0.61531818979552 0.74279645454195 22.990 > 4 9 Na 0.14804017992109 0.88468181020448 0.24279645454195 22.990 > 5 10 Na 0.64804017992109 0.88468181020448 0.24279645454195 22.990 > 5 *11 Na 0.27449981014516 0.39545444850349 0.87629129875032 22.990 > 6 12 Na 0.77449981014516 0.39545444850349 0.87629129875032 22.990 > 6 13 Na 0.44204911005247 0.14786504761879 0.45926932912116 22.990 > 7 14 Na 0.94204911005247 0.14786504761879 0.45926932912116 22.990 > 7 15 Na 0.22550018985484 0.60454555149651 0.12370870124968 22.990 > 8 16 Na 0.72550018985484 0.60454555149651 0.12370870124968 22.990 > 8 17 Na 0.47550018985484 0.60454555149651 0.37629129875032 22.990 > 9 18 Na 0.97550018985484 0.60454555149651 0.37629129875032 22.990 > 9 19 Na 0.10195982007891 0.11531818979552 0.74279645454195 22.990 > 10 20 Na 0.60195982007891 0.11531818979552 0.74279645454195 22.990 > 10 21 Na 0.35195982007891 0.11531818979552 0.75720354545805 22.990 > 11 22 Na 0.85195982007891 0.11531818979552 0.75720354545805 22.990 > 11 23 Na 0.05795088994753 0.64786504761879 0.04073067087884 22.990 > 12 24 Na 0.55795088994753 0.64786504761879 0.04073067087884 22.990 > 12 25 Na 0.30795088994753 0.64786504761879 0.45926932912116 22.990 > 13 26 Na 0.80795088994753 0.64786504761879 0.45926932912116 22.990 > 13 27 Na 0.39804017992109 0.88468181020448 0.25720354545805 22.990 > 14 28 Na 0.89804017992109 0.88468181020448 0.25720354545805 22.990 > 14 29 Na 0.47550018985484 0.89545444850349 0.87629129875032 22.990 > 15 30 Na 0.97550018985484 0.89545444850349 0.87629129875032 22.990 > 15 31 Na 0.44204911005247 0.35213495238121 0.95926932912116 22.990 > 16 32 Na 0.94204911005247 0.35213495238121 0.95926932912116 22.990 > 16 33 Na 0.05795088994753 0.85213495238121 0.54073067087884 22.990 > 17 34 Na 0.55795088994753 0.85213495238121 0.54073067087884 22.990 > 17 35 Na 0.27449981014516 0.10454555149651 0.37629129875032 22.990 > 18 36 Na 0.77449981014516 0.10454555149651 0.37629129875032 22.990 > 18 37 Na 0.02449981014516 0.39545444850349 0.62370870124968 22.990 > 19 38 Na 0.52449981014516 0.39545444850349 0.62370870124968 22.990 > 19 39 Na 0.39804017992109 0.61531818979552 0.75720354545805 22.990 > 20 40 Na 0.89804017992109 0.61531818979552 0.75720354545805 22.990 > 20 41 Na 0.35195982007891 0.38468181020448 0.25720354545805 22.990 > 21 42 Na 0.85195982007891 0.38468181020448 0.25720354545805 22.990 > 21 43 Na 0.02449981014516 0.10454555149651 0.12370870124968 22.990 > 22 44 Na 0.52449981014516 0.10454555149651 0.12370870124968 22.990 > 22 45 Na 0.22550018985484 0.89545444850349 0.62370870124968 22.990 > 23 46 Na 0.72550018985484 0.89545444850349 0.62370870124968 22.990 > 23 47 Na 0.19204911005247 0.14786504761879 0.04073067087884 22.990 > 24 48 Na 0.69204911005247 0.14786504761879 0.04073067087884 22.990 > 24 *49 N 0.35619551382073 0.12111241892660 0.09838558376771 14.007 > 25 50 N 0.85619551382073 0.12111241892660 0.09838558376771 14.007 > 25 51 N 0.39380448617927 0.62111241892660 0.09838558376771 14.007 > 26 52 N 0.89380448617927 0.62111241892660 0.09838558376771 14.007 > 26 53 N 0.35619551382073 0.37888758107340 0.59838558376771 14.007 > 27 54 N 0.85619551382073 0.37888758107340 0.59838558376771 14.007 > 27 55 N 0.10619551382073 0.37888758107340 0.90161441623229 14.007 > 28 56 N 0.60619551382073 0.37888758107340 0.90161441623229 14.007 > 28 57 N 0.39380448617927 0.87888758107340 0.59838558376771 14.007 > 29 58 N 0.89380448617927 0.87888758107340 0.59838558376771 14.007 > 29 59 N 0.14380448617927 0.62111241892660 0.40161441623229 14.007 > 30 60 N 0.64380448617927 0.62111241892660 0.40161441623229 14.007 > 30 61 N 0.14380448617927 0.87888758107340 0.90161441623229 14.007 > 31 62 N 0.64380448617927 0.87888758107340 0.90161441623229 14.007 > 31 63 N 0.10619551382073 0.12111241892660 0.40161441623229 14.007 > 32 64 N 0.60619551382073 0.12111241892660 0.40161441623229 14.007 > 32 *65 O 0.30280395994328 0.02172898959318 0.14071598658256 15.999 > 33 66 O 0.80280395994328 0.02172898959318 0.14071598658256 15.999 > 33 *67 O 0.09931379466021 0.65818690963373 0.27997230787467 15.999 > 34 68 O 0.59931379466021 0.65818690963373 0.27997230787467 15.999 > 34 69 O 0.44719604005672 0.97827101040682 0.64071598658256 15.999 > 35 70 O 0.94719604005672 0.97827101040682 0.64071598658256 15.999 > 35 *71 O 0.09535245526547 0.56900059830159 0.50984104498515 15.999 > 36 72 O 0.59535245526547 0.56900059830159 0.50984104498515 15.999 > 36 73 O 0.09931379466021 0.84181309036627 0.77997230787467 15.999 > 37 74 O 0.59931379466021 0.84181309036627 0.77997230787467 15.999 > 37 75 O 0.15464754473453 0.43099940169841 0.00984104498515 15.999 > 38 76 O 0.65464754473453 0.43099940169841 0.00984104498515 15.999 > 38 *77 O 0.31851965396780 0.26156889419433 0.54599212253737 15.999 > 39 78 O 0.81851965396780 0.26156889419433 0.54599212253737 15.999 > 39 79 O 0.05280395994328 0.47827101040682 0.85928401341744 15.999 > 40 80 O 0.55280395994328 0.47827101040682 0.85928401341744 15.999 > 40 81 O 0.34931379466021 0.65818690963373 0.22002769212533 15.999 > 41 82 O 0.84931379466021 0.65818690963373 0.22002769212533 15.999 > 41 83 O 0.19719604005672 0.52172898959318 0.35928401341744 15.999 > 42 84 O 0.69719604005672 0.52172898959318 0.35928401341744 15.999 > 42 85 O 0.06851965396780 0.26156889419433 0.95400787746263 15.999 > 43 86 O 0.56851965396780 0.26156889419433 0.95400787746263 15.999 > 43 87 O 0.40068620533979 0.34181309036627 0.72002769212533 15.999 > 44 88 O 0.90068620533979 0.34181309036627 0.72002769212533 15.999 > 44 89 O 0.15068620533979 0.34181309036627 0.77997230787467 15.999 > 45 90 O 0.65068620533979 0.34181309036627 0.77997230787467 15.999 > 45 91 O 0.06851965396780 0.23843110580567 0.45400787746262 15.999 > 46 92 O 0.56851965396780 0.23843110580567 0.45400787746262 15.999 > 46 93 O 0.19719604005672 0.97827101040682 0.85928401341744 15.999 > 47 94 O 0.69719604005672 0.97827101040682 0.85928401341744 15.999 > 47 95 O 0.40464754473453 0.06900059830159 0.99015895501485 15.999 > 48 96 O 0.90464754473453 0.06900059830159 0.99015895501485 15.999 > 48 97 O 0.09535245526547 0.93099940169841 0.00984104498515 15.999 > 49 98 O 0.59535245526547 0.93099940169841 0.00984104498515 15.999 > 49 99 O 0.18148034603220 0.76156889419433 0.95400787746263 15.999 > 50 100 O 0.68148034603220 0.76156889419433 0.95400787746263 15.999 > 50 101 O 0.18148034603220 0.73843110580567 0.45400787746262 15.999 > 51 102 O 0.68148034603220 0.73843110580567 0.45400787746262 15.999 > 51 103 O 0.43148034603220 0.76156889419433 0.54599212253737 15.999 > 52 104 O 0.93148034603220 0.76156889419433 0.54599212253737 15.999 > 52 105 O 0.40068620533979 0.15818690963373 0.22002769212533 15.999 > 53 106 O 0.90068620533979 0.15818690963373 0.22002769212533 15.999 > 53 107 O 0.30280395994328 0.47827101040682 0.64071598658256 15.999 > 54 108 O 0.80280395994328 0.47827101040682 0.64071598658256 15.999 > 54 109 O 0.05280395994328 0.02172898959318 0.35928401341744 15.999 > 55 110 O 0.55280395994328 0.02172898959318 0.35928401341744 15.999 > 55 111 O 0.40464754473453 0.43099940169841 0.49015895501485 15.999 > 56 112 O 0.90464754473453 0.43099940169841 0.49015895501485 15.999 > 56 113 O 0.15068620533979 0.15818690963373 0.27997230787467 15.999 > 57 114 O 0.65068620533979 0.15818690963373 0.27997230787467 15.999 > 57 115 O 0.44719604005672 0.52172898959318 0.14071598658256 15.999 > 58 116 O 0.94719604005672 0.52172898959318 0.14071598658256 15.999 > 58 117 O 0.43148034603220 0.73843110580567 0.04599212253738 15.999 > 59 118 O 0.93148034603220 0.73843110580567 0.04599212253738 15.999 > 59 119 O 0.34931379466021 0.84181309036627 0.72002769212533 15.999 > 60 120 O 0.84931379466021 0.84181309036627 0.72002769212533 15.999 > 60 121 O 0.31851965396780 0.23843110580567 0.04599212253738 15.999 > 61 122 O 0.81851965396780 0.23843110580567 0.04599212253738 15.999 > 61 123 O 0.15464754473453 0.06900059830159 0.50984104498515 15.999 > 62 124 O 0.65464754473453 0.06900059830159 0.50984104498515 15.999 > 62 125 O 0.34535245526547 0.56900059830159 0.99015895501485 15.999 > 63 126 O 0.84535245526547 0.56900059830159 0.99015895501485 15.999 > 63 127 O 0.34535245526547 0.93099940169841 0.49015895501485 15.999 > 64 128 O 0.84535245526547 0.93099940169841 0.49015895501485 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4162421 0.0000000 0.0000000 0.0000000 2.4285485 0.0000000 0.0000000 0.0000000 2.4269167 -------------------------- Born effective charges -------------------------- 1 Na 1.0607024 -0.0708219 0.0422701 -0.0563925 1.0300654 -0.0029887 0.0670372 0.0067624 0.9999513 2 Na 0.8646337 0.0099772 0.0503359 -0.0029286 1.1451153 -0.0138687 0.0431667 0.0052626 1.1287146 3 Na 1.0607024 0.0708219 0.0422701 0.0563925 1.0300654 0.0029887 0.0670372 -0.0067624 0.9999513 4 Na 0.8646337 0.0099772 -0.0503359 -0.0029286 1.1451153 0.0138687 -0.0431667 -0.0052626 1.1287146 5 Na 0.8646337 -0.0099772 -0.0503359 0.0029286 1.1451153 -0.0138687 -0.0431667 0.0052626 1.1287146 6 Na 1.1491206 0.0490538 -0.0057142 0.0123338 0.9611448 -0.0361471 -0.0136112 0.0128116 1.0485999 7 Na 1.0607024 -0.0708219 -0.0422701 -0.0563925 1.0300654 0.0029887 -0.0670372 -0.0067624 0.9999513 8 Na 1.1491206 0.0490538 -0.0057142 0.0123338 0.9611448 -0.0361471 -0.0136112 0.0128116 1.0485999 9 Na 1.1491206 0.0490538 0.0057142 0.0123338 0.9611448 0.0361471 0.0136112 -0.0128116 1.0485999 10 Na 0.8646337 -0.0099772 0.0503359 0.0029286 1.1451153 0.0138687 0.0431667 -0.0052626 1.1287146 11 Na 0.8646337 -0.0099772 -0.0503359 0.0029286 1.1451153 -0.0138687 -0.0431667 0.0052626 1.1287146 12 Na 1.0607024 0.0708219 -0.0422701 0.0563925 1.0300654 -0.0029887 -0.0670372 0.0067624 0.9999513 13 Na 1.0607024 0.0708219 0.0422701 0.0563925 1.0300654 0.0029887 0.0670372 -0.0067624 0.9999513 14 Na 0.8646337 -0.0099772 0.0503359 0.0029286 1.1451153 0.0138687 0.0431667 -0.0052626 1.1287146 15 Na 1.1491206 -0.0490538 0.0057142 -0.0123338 0.9611448 -0.0361471 0.0136112 0.0128116 1.0485999 16 Na 1.0607024 0.0708219 -0.0422701 0.0563925 1.0300654 -0.0029887 -0.0670372 0.0067624 0.9999513 17 Na 1.0607024 -0.0708219 -0.0422701 -0.0563925 1.0300654 0.0029887 -0.0670372 -0.0067624 0.9999513 18 Na 1.1491206 -0.0490538 -0.0057142 -0.0123338 0.9611448 0.0361471 -0.0136112 -0.0128116 1.0485999 19 Na 1.1491206 0.0490538 0.0057142 0.0123338 0.9611448 0.0361471 0.0136112 -0.0128116 1.0485999 20 Na 0.8646337 0.0099772 0.0503359 -0.0029286 1.1451153 -0.0138687 0.0431667 0.0052626 1.1287146 21 Na 0.8646337 0.0099772 -0.0503359 -0.0029286 1.1451153 0.0138687 -0.0431667 -0.0052626 1.1287146 22 Na 1.1491206 -0.0490538 0.0057142 -0.0123338 0.9611448 -0.0361471 0.0136112 0.0128116 1.0485999 23 Na 1.1491206 -0.0490538 -0.0057142 -0.0123338 0.9611448 0.0361471 -0.0136112 -0.0128116 1.0485999 24 Na 1.0607024 -0.0708219 0.0422701 -0.0563925 1.0300654 -0.0029887 0.0670372 0.0067624 0.9999513 25 N 2.1051893 -0.0357753 0.0189676 0.0230614 2.1740424 0.0220482 -0.0345188 -0.0588477 2.1560667 26 N 2.1051893 0.0357753 -0.0189676 -0.0230614 2.1740424 0.0220482 0.0345188 -0.0588477 2.1560667 27 N 2.1051893 0.0357753 0.0189676 -0.0230614 2.1740424 -0.0220482 -0.0345188 0.0588477 2.1560667 28 N 2.1051893 0.0357753 -0.0189676 -0.0230614 2.1740424 0.0220482 0.0345188 -0.0588477 2.1560667 29 N 2.1051893 -0.0357753 -0.0189676 0.0230614 2.1740424 -0.0220482 0.0345188 0.0588477 2.1560667 30 N 2.1051893 0.0357753 0.0189676 -0.0230614 2.1740424 -0.0220482 -0.0345188 0.0588477 2.1560667 31 N 2.1051893 -0.0357753 0.0189676 0.0230614 2.1740424 0.0220482 -0.0345188 -0.0588477 2.1560667 32 N 2.1051893 -0.0357753 -0.0189676 0.0230614 2.1740424 -0.0220482 0.0345188 0.0588477 2.1560667 33 O -1.4193048 -0.4775929 0.1682946 -0.5033922 -1.4212303 0.1834579 0.2119022 0.1993105 -1.0044344 34 O -1.2560547 0.1069821 -0.4939631 0.1555487 -1.0288133 0.2241427 -0.4296094 0.1515991 -1.7071211 35 O -1.4193048 -0.4775929 -0.1682946 -0.5033922 -1.4212303 -0.1834579 -0.2119022 -0.1993105 -1.0044344 36 O -1.3364040 -0.2679103 0.4517467 -0.2451781 -1.1813748 0.2999515 0.4583761 0.3162575 -1.4940589 37 O -1.2560547 -0.1069821 -0.4939631 -0.1555487 -1.0288133 -0.2241427 -0.4296094 -0.1515991 -1.7071211 38 O -1.3364040 -0.2679103 -0.4517467 -0.2451781 -1.1813748 -0.2999515 -0.4583761 -0.3162575 -1.4940589 39 O -1.1678825 -0.4180644 -0.2192947 -0.3741360 -1.6789496 -0.3434874 -0.1673756 -0.3316480 -1.1277182 40 O -1.4193048 0.4775929 -0.1682946 0.5033922 -1.4212303 0.1834579 -0.2119022 0.1993105 -1.0044344 41 O -1.2560547 0.1069821 0.4939631 0.1555487 -1.0288133 -0.2241427 0.4296094 -0.1515991 -1.7071211 42 O -1.4193048 0.4775929 0.1682946 0.5033922 -1.4212303 -0.1834579 0.2119022 -0.1993105 -1.0044344 43 O -1.1678825 -0.4180644 0.2192947 -0.3741360 -1.6789496 0.3434874 0.1673756 0.3316480 -1.1277182 44 O -1.2560547 0.1069821 -0.4939631 0.1555487 -1.0288133 0.2241427 -0.4296094 0.1515991 -1.7071211 45 O -1.2560547 0.1069821 0.4939631 0.1555487 -1.0288133 -0.2241427 0.4296094 -0.1515991 -1.7071211 46 O -1.1678825 0.4180644 0.2192947 0.3741360 -1.6789496 -0.3434874 0.1673756 -0.3316480 -1.1277182 47 O -1.4193048 -0.4775929 0.1682946 -0.5033922 -1.4212303 0.1834579 0.2119022 0.1993105 -1.0044344 48 O -1.3364040 0.2679103 0.4517467 0.2451781 -1.1813748 -0.2999515 0.4583761 -0.3162575 -1.4940589 49 O -1.3364040 0.2679103 0.4517467 0.2451781 -1.1813748 -0.2999515 0.4583761 -0.3162575 -1.4940589 50 O -1.1678825 0.4180644 -0.2192947 0.3741360 -1.6789496 0.3434874 -0.1673756 0.3316480 -1.1277182 51 O -1.1678825 -0.4180644 -0.2192947 -0.3741360 -1.6789496 -0.3434874 -0.1673756 -0.3316480 -1.1277182 52 O -1.1678825 0.4180644 0.2192947 0.3741360 -1.6789496 -0.3434874 0.1673756 -0.3316480 -1.1277182 53 O -1.2560547 -0.1069821 -0.4939631 -0.1555487 -1.0288133 -0.2241427 -0.4296094 -0.1515991 -1.7071211 54 O -1.4193048 0.4775929 0.1682946 0.5033922 -1.4212303 -0.1834579 0.2119022 -0.1993105 -1.0044344 55 O -1.4193048 -0.4775929 -0.1682946 -0.5033922 -1.4212303 -0.1834579 -0.2119022 -0.1993105 -1.0044344 56 O -1.3364040 -0.2679103 0.4517467 -0.2451781 -1.1813748 0.2999515 0.4583761 0.3162575 -1.4940589 57 O -1.2560547 -0.1069821 0.4939631 -0.1555487 -1.0288133 0.2241427 0.4296094 0.1515991 -1.7071211 58 O -1.4193048 0.4775929 -0.1682946 0.5033922 -1.4212303 0.1834579 -0.2119022 0.1993105 -1.0044344 59 O -1.1678825 -0.4180644 0.2192947 -0.3741360 -1.6789496 0.3434874 0.1673756 0.3316480 -1.1277182 60 O -1.2560547 -0.1069821 0.4939631 -0.1555487 -1.0288133 0.2241427 0.4296094 0.1515991 -1.7071211 61 O -1.1678825 0.4180644 -0.2192947 0.3741360 -1.6789496 0.3434874 -0.1673756 0.3316480 -1.1277182 62 O -1.3364040 0.2679103 -0.4517467 0.2451781 -1.1813748 0.2999515 -0.4583761 0.3162575 -1.4940589 63 O -1.3364040 -0.2679103 -0.4517467 -0.2451781 -1.1813748 -0.2999515 -0.4583761 -0.3162575 -1.4940589 64 O -1.3364040 0.2679103 -0.4517467 0.2451781 -1.1813748 0.2999515 -0.4583761 0.3162575 -1.4940589 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4680), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 16), data: (524, 32) @ (32, 16) |-- (274, 258), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 16), data: (524, 32) @ (32, 16) |-- (274, 258), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 2.880 Solver_block: 200 / 960 - Time: 2.925 Solver_block: 300 / 960 - Time: 3.271 Solver_block: 400 / 960 - Time: 3.274 Solver_block: 500 / 960 - Time: 2.665 Solver_block: 600 / 960 - Time: 2.670 Solver_block: 700 / 960 - Time: 2.596 Solver_block: 800 / 960 - Time: 3.099 Solver_block: 900 / 960 - Time: 2.710 Solver_block: 960 / 960 - Time: 1.729 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 28.549 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zx) 0.00000000 (zx) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4680), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 16), data: (524, 32) @ (32, 16) |-- (274, 258), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 16), data: (524, 32) @ (32, 16) |-- (274, 258), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) 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 15:28:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:28:45]------------------------- 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: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.621826799999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.631053509999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.085118970000000 Atomic positions (fractional): 1 Na 0.61590177989507 0.85213495238121 0.95926932912116 22.990 2 Na 0.20391964015781 0.38468181020448 0.24279645454195 22.990 3 Na 0.38409822010493 0.35213495238121 0.54073067087884 22.990 4 Na 0.29608035984219 0.61531818979552 0.74279645454195 22.990 5 Na 0.29608035984219 0.88468181020448 0.24279645454195 22.990 6 Na 0.54899962029031 0.39545444850349 0.87629129875032 22.990 7 Na 0.88409822010493 0.14786504761879 0.45926932912116 22.990 8 Na 0.45100037970969 0.60454555149651 0.12370870124968 22.990 9 Na 0.95100037970969 0.60454555149651 0.37629129875032 22.990 10 Na 0.20391964015781 0.11531818979552 0.74279645454195 22.990 11 Na 0.70391964015781 0.11531818979552 0.75720354545805 22.990 12 Na 0.11590177989507 0.64786504761879 0.04073067087884 22.990 13 Na 0.61590177989507 0.64786504761879 0.45926932912116 22.990 14 Na 0.79608035984219 0.88468181020448 0.25720354545805 22.990 15 Na 0.95100037970969 0.89545444850349 0.87629129875032 22.990 16 Na 0.88409822010493 0.35213495238121 0.95926932912116 22.990 17 Na 0.11590177989507 0.85213495238121 0.54073067087884 22.990 18 Na 0.54899962029031 0.10454555149651 0.37629129875032 22.990 19 Na 0.04899962029031 0.39545444850349 0.62370870124968 22.990 20 Na 0.79608035984219 0.61531818979552 0.75720354545805 22.990 21 Na 0.70391964015781 0.38468181020448 0.25720354545805 22.990 22 Na 0.04899962029031 0.10454555149651 0.12370870124968 22.990 23 Na 0.45100037970969 0.89545444850349 0.62370870124968 22.990 24 Na 0.38409822010493 0.14786504761879 0.04073067087884 22.990 25 N 0.71239102764147 0.12111241892660 0.09838558376771 14.007 26 N 0.78760897235853 0.62111241892660 0.09838558376771 14.007 27 N 0.71239102764147 0.37888758107340 0.59838558376771 14.007 28 N 0.21239102764147 0.37888758107340 0.90161441623229 14.007 29 N 0.78760897235853 0.87888758107340 0.59838558376771 14.007 30 N 0.28760897235853 0.62111241892660 0.40161441623229 14.007 31 N 0.28760897235853 0.87888758107340 0.90161441623229 14.007 32 N 0.21239102764147 0.12111241892660 0.40161441623229 14.007 33 O 0.60560791988657 0.02172898959318 0.14071598658256 15.999 34 O 0.19862758932043 0.65818690963373 0.27997230787467 15.999 35 O 0.89439208011343 0.97827101040682 0.64071598658256 15.999 36 O 0.19070491053094 0.56900059830159 0.50984104498515 15.999 37 O 0.19862758932043 0.84181309036627 0.77997230787467 15.999 38 O 0.30929508946906 0.43099940169841 0.00984104498515 15.999 39 O 0.63703930793559 0.26156889419433 0.54599212253737 15.999 40 O 0.10560791988656 0.47827101040682 0.85928401341744 15.999 41 O 0.69862758932043 0.65818690963373 0.22002769212533 15.999 42 O 0.39439208011344 0.52172898959318 0.35928401341744 15.999 43 O 0.13703930793559 0.26156889419433 0.95400787746263 15.999 44 O 0.80137241067957 0.34181309036627 0.72002769212533 15.999 45 O 0.30137241067957 0.34181309036627 0.77997230787467 15.999 46 O 0.13703930793559 0.23843110580567 0.45400787746262 15.999 47 O 0.39439208011344 0.97827101040682 0.85928401341744 15.999 48 O 0.80929508946906 0.06900059830159 0.99015895501485 15.999 49 O 0.19070491053094 0.93099940169841 0.00984104498515 15.999 50 O 0.36296069206441 0.76156889419433 0.95400787746263 15.999 51 O 0.36296069206441 0.73843110580567 0.45400787746262 15.999 52 O 0.86296069206441 0.76156889419433 0.54599212253737 15.999 53 O 0.80137241067957 0.15818690963373 0.22002769212533 15.999 54 O 0.60560791988657 0.47827101040682 0.64071598658256 15.999 55 O 0.10560791988656 0.02172898959318 0.35928401341744 15.999 56 O 0.80929508946906 0.43099940169841 0.49015895501485 15.999 57 O 0.30137241067957 0.15818690963373 0.27997230787467 15.999 58 O 0.89439208011343 0.52172898959318 0.14071598658256 15.999 59 O 0.86296069206441 0.73843110580567 0.04599212253738 15.999 60 O 0.69862758932043 0.84181309036627 0.72002769212533 15.999 61 O 0.63703930793559 0.23843110580567 0.04599212253738 15.999 62 O 0.30929508946906 0.06900059830159 0.50984104498515 15.999 63 O 0.69070491053094 0.56900059830159 0.99015895501485 15.999 64 O 0.69070491053094 0.93099940169841 0.49015895501485 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.243653599999995 0.000000000000000 0.000000000000000 b 0.000000000000000 9.631053509999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.085118970000000 Atomic positions (fractional): 1 Na 0.30795088994753 0.85213495238121 0.95926932912116 22.990 > 1 2 Na 0.80795088994753 0.85213495238121 0.95926932912116 22.990 > 1 3 Na 0.10195982007891 0.38468181020448 0.24279645454195 22.990 > 3 4 Na 0.60195982007891 0.38468181020448 0.24279645454195 22.990 > 3 5 Na 0.19204911005247 0.35213495238121 0.54073067087884 22.990 > 5 6 Na 0.69204911005247 0.35213495238121 0.54073067087884 22.990 > 5 7 Na 0.14804017992109 0.61531818979552 0.74279645454195 22.990 > 7 8 Na 0.64804017992109 0.61531818979552 0.74279645454195 22.990 > 7 9 Na 0.14804017992109 0.88468181020448 0.24279645454195 22.990 > 9 10 Na 0.64804017992109 0.88468181020448 0.24279645454195 22.990 > 9 11 Na 0.27449981014516 0.39545444850349 0.87629129875032 22.990 > 11 12 Na 0.77449981014516 0.39545444850349 0.87629129875032 22.990 > 11 13 Na 0.44204911005247 0.14786504761879 0.45926932912116 22.990 > 13 14 Na 0.94204911005247 0.14786504761879 0.45926932912116 22.990 > 13 15 Na 0.22550018985484 0.60454555149651 0.12370870124968 22.990 > 15 16 Na 0.72550018985484 0.60454555149651 0.12370870124968 22.990 > 15 17 Na 0.47550018985484 0.60454555149651 0.37629129875032 22.990 > 17 18 Na 0.97550018985484 0.60454555149651 0.37629129875032 22.990 > 17 19 Na 0.10195982007891 0.11531818979552 0.74279645454195 22.990 > 19 20 Na 0.60195982007891 0.11531818979552 0.74279645454195 22.990 > 19 21 Na 0.35195982007891 0.11531818979552 0.75720354545805 22.990 > 21 22 Na 0.85195982007891 0.11531818979552 0.75720354545805 22.990 > 21 23 Na 0.05795088994753 0.64786504761879 0.04073067087884 22.990 > 23 24 Na 0.55795088994753 0.64786504761879 0.04073067087884 22.990 > 23 25 Na 0.30795088994753 0.64786504761879 0.45926932912116 22.990 > 25 26 Na 0.80795088994753 0.64786504761879 0.45926932912116 22.990 > 25 27 Na 0.39804017992109 0.88468181020448 0.25720354545805 22.990 > 27 28 Na 0.89804017992109 0.88468181020448 0.25720354545805 22.990 > 27 29 Na 0.47550018985484 0.89545444850349 0.87629129875032 22.990 > 29 30 Na 0.97550018985484 0.89545444850349 0.87629129875032 22.990 > 29 31 Na 0.44204911005247 0.35213495238121 0.95926932912116 22.990 > 31 32 Na 0.94204911005247 0.35213495238121 0.95926932912116 22.990 > 31 33 Na 0.05795088994753 0.85213495238121 0.54073067087884 22.990 > 33 34 Na 0.55795088994753 0.85213495238121 0.54073067087884 22.990 > 33 35 Na 0.27449981014516 0.10454555149651 0.37629129875032 22.990 > 35 36 Na 0.77449981014516 0.10454555149651 0.37629129875032 22.990 > 35 37 Na 0.02449981014516 0.39545444850349 0.62370870124968 22.990 > 37 38 Na 0.52449981014516 0.39545444850349 0.62370870124968 22.990 > 37 39 Na 0.39804017992109 0.61531818979552 0.75720354545805 22.990 > 39 40 Na 0.89804017992109 0.61531818979552 0.75720354545805 22.990 > 39 41 Na 0.35195982007891 0.38468181020448 0.25720354545805 22.990 > 41 42 Na 0.85195982007891 0.38468181020448 0.25720354545805 22.990 > 41 43 Na 0.02449981014516 0.10454555149651 0.12370870124968 22.990 > 43 44 Na 0.52449981014516 0.10454555149651 0.12370870124968 22.990 > 43 45 Na 0.22550018985484 0.89545444850349 0.62370870124968 22.990 > 45 46 Na 0.72550018985484 0.89545444850349 0.62370870124968 22.990 > 45 47 Na 0.19204911005247 0.14786504761879 0.04073067087884 22.990 > 47 48 Na 0.69204911005247 0.14786504761879 0.04073067087884 22.990 > 47 49 N 0.35619551382073 0.12111241892660 0.09838558376771 14.007 > 49 50 N 0.85619551382073 0.12111241892660 0.09838558376771 14.007 > 49 51 N 0.39380448617927 0.62111241892660 0.09838558376771 14.007 > 51 52 N 0.89380448617927 0.62111241892660 0.09838558376771 14.007 > 51 53 N 0.35619551382073 0.37888758107340 0.59838558376771 14.007 > 53 54 N 0.85619551382073 0.37888758107340 0.59838558376771 14.007 > 53 55 N 0.10619551382073 0.37888758107340 0.90161441623229 14.007 > 55 56 N 0.60619551382073 0.37888758107340 0.90161441623229 14.007 > 55 57 N 0.39380448617927 0.87888758107340 0.59838558376771 14.007 > 57 58 N 0.89380448617927 0.87888758107340 0.59838558376771 14.007 > 57 59 N 0.14380448617927 0.62111241892660 0.40161441623229 14.007 > 59 60 N 0.64380448617927 0.62111241892660 0.40161441623229 14.007 > 59 61 N 0.14380448617927 0.87888758107340 0.90161441623229 14.007 > 61 62 N 0.64380448617927 0.87888758107340 0.90161441623229 14.007 > 61 63 N 0.10619551382073 0.12111241892660 0.40161441623229 14.007 > 63 64 N 0.60619551382073 0.12111241892660 0.40161441623229 14.007 > 63 65 O 0.30280395994328 0.02172898959318 0.14071598658256 15.999 > 65 66 O 0.80280395994328 0.02172898959318 0.14071598658256 15.999 > 65 67 O 0.09931379466021 0.65818690963373 0.27997230787467 15.999 > 67 68 O 0.59931379466021 0.65818690963373 0.27997230787467 15.999 > 67 69 O 0.44719604005672 0.97827101040682 0.64071598658256 15.999 > 69 70 O 0.94719604005672 0.97827101040682 0.64071598658256 15.999 > 69 71 O 0.09535245526547 0.56900059830159 0.50984104498515 15.999 > 71 72 O 0.59535245526547 0.56900059830159 0.50984104498515 15.999 > 71 73 O 0.09931379466021 0.84181309036627 0.77997230787467 15.999 > 73 74 O 0.59931379466021 0.84181309036627 0.77997230787467 15.999 > 73 75 O 0.15464754473453 0.43099940169841 0.00984104498515 15.999 > 75 76 O 0.65464754473453 0.43099940169841 0.00984104498515 15.999 > 75 77 O 0.31851965396780 0.26156889419433 0.54599212253737 15.999 > 77 78 O 0.81851965396780 0.26156889419433 0.54599212253737 15.999 > 77 79 O 0.05280395994328 0.47827101040682 0.85928401341744 15.999 > 79 80 O 0.55280395994328 0.47827101040682 0.85928401341744 15.999 > 79 81 O 0.34931379466021 0.65818690963373 0.22002769212533 15.999 > 81 82 O 0.84931379466021 0.65818690963373 0.22002769212533 15.999 > 81 83 O 0.19719604005672 0.52172898959318 0.35928401341744 15.999 > 83 84 O 0.69719604005672 0.52172898959318 0.35928401341744 15.999 > 83 85 O 0.06851965396780 0.26156889419433 0.95400787746263 15.999 > 85 86 O 0.56851965396780 0.26156889419433 0.95400787746263 15.999 > 85 87 O 0.40068620533979 0.34181309036627 0.72002769212533 15.999 > 87 88 O 0.90068620533979 0.34181309036627 0.72002769212533 15.999 > 87 89 O 0.15068620533979 0.34181309036627 0.77997230787467 15.999 > 89 90 O 0.65068620533979 0.34181309036627 0.77997230787467 15.999 > 89 91 O 0.06851965396780 0.23843110580567 0.45400787746262 15.999 > 91 92 O 0.56851965396780 0.23843110580567 0.45400787746262 15.999 > 91 93 O 0.19719604005672 0.97827101040682 0.85928401341744 15.999 > 93 94 O 0.69719604005672 0.97827101040682 0.85928401341744 15.999 > 93 95 O 0.40464754473453 0.06900059830159 0.99015895501485 15.999 > 95 96 O 0.90464754473453 0.06900059830159 0.99015895501485 15.999 > 95 97 O 0.09535245526547 0.93099940169841 0.00984104498515 15.999 > 97 98 O 0.59535245526547 0.93099940169841 0.00984104498515 15.999 > 97 99 O 0.18148034603220 0.76156889419433 0.95400787746263 15.999 > 99 100 O 0.68148034603220 0.76156889419433 0.95400787746263 15.999 > 99 101 O 0.18148034603220 0.73843110580567 0.45400787746262 15.999 > 101 102 O 0.68148034603220 0.73843110580567 0.45400787746262 15.999 > 101 103 O 0.43148034603220 0.76156889419433 0.54599212253737 15.999 > 103 104 O 0.93148034603220 0.76156889419433 0.54599212253737 15.999 > 103 105 O 0.40068620533979 0.15818690963373 0.22002769212533 15.999 > 105 106 O 0.90068620533979 0.15818690963373 0.22002769212533 15.999 > 105 107 O 0.30280395994328 0.47827101040682 0.64071598658256 15.999 > 107 108 O 0.80280395994328 0.47827101040682 0.64071598658256 15.999 > 107 109 O 0.05280395994328 0.02172898959318 0.35928401341744 15.999 > 109 110 O 0.55280395994328 0.02172898959318 0.35928401341744 15.999 > 109 111 O 0.40464754473453 0.43099940169841 0.49015895501485 15.999 > 111 112 O 0.90464754473453 0.43099940169841 0.49015895501485 15.999 > 111 113 O 0.15068620533979 0.15818690963373 0.27997230787467 15.999 > 113 114 O 0.65068620533979 0.15818690963373 0.27997230787467 15.999 > 113 115 O 0.44719604005672 0.52172898959318 0.14071598658256 15.999 > 115 116 O 0.94719604005672 0.52172898959318 0.14071598658256 15.999 > 115 117 O 0.43148034603220 0.73843110580567 0.04599212253738 15.999 > 117 118 O 0.93148034603220 0.73843110580567 0.04599212253738 15.999 > 117 119 O 0.34931379466021 0.84181309036627 0.72002769212533 15.999 > 119 120 O 0.84931379466021 0.84181309036627 0.72002769212533 15.999 > 119 121 O 0.31851965396780 0.23843110580567 0.04599212253738 15.999 > 121 122 O 0.81851965396780 0.23843110580567 0.04599212253738 15.999 > 121 123 O 0.15464754473453 0.06900059830159 0.50984104498515 15.999 > 123 124 O 0.65464754473453 0.06900059830159 0.50984104498515 15.999 > 123 125 O 0.34535245526547 0.56900059830159 0.99015895501485 15.999 > 125 126 O 0.84535245526547 0.56900059830159 0.99015895501485 15.999 > 125 127 O 0.34535245526547 0.93099940169841 0.49015895501485 15.999 > 127 128 O 0.84535245526547 0.93099940169841 0.49015895501485 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4162421 0.0000000 0.0000000 0.0000000 2.4285485 0.0000000 0.0000000 0.0000000 2.4269167 -------------------------- Born effective charges -------------------------- 1 Na 1.0607024 -0.0708219 0.0422701 -0.0563925 1.0300654 -0.0029887 0.0670372 0.0067624 0.9999513 2 Na 0.8646337 0.0099772 0.0503359 -0.0029286 1.1451153 -0.0138687 0.0431667 0.0052626 1.1287146 3 Na 1.0607024 0.0708219 0.0422701 0.0563925 1.0300654 0.0029887 0.0670372 -0.0067624 0.9999513 4 Na 0.8646337 0.0099772 -0.0503359 -0.0029286 1.1451153 0.0138687 -0.0431667 -0.0052626 1.1287146 5 Na 0.8646337 -0.0099772 -0.0503359 0.0029286 1.1451153 -0.0138687 -0.0431667 0.0052626 1.1287146 6 Na 1.1491206 0.0490538 -0.0057142 0.0123338 0.9611448 -0.0361471 -0.0136112 0.0128116 1.0485999 7 Na 1.0607024 -0.0708219 -0.0422701 -0.0563925 1.0300654 0.0029887 -0.0670372 -0.0067624 0.9999513 8 Na 1.1491206 0.0490538 -0.0057142 0.0123338 0.9611448 -0.0361471 -0.0136112 0.0128116 1.0485999 9 Na 1.1491206 0.0490538 0.0057142 0.0123338 0.9611448 0.0361471 0.0136112 -0.0128116 1.0485999 10 Na 0.8646337 -0.0099772 0.0503359 0.0029286 1.1451153 0.0138687 0.0431667 -0.0052626 1.1287146 11 Na 0.8646337 -0.0099772 -0.0503359 0.0029286 1.1451153 -0.0138687 -0.0431667 0.0052626 1.1287146 12 Na 1.0607024 0.0708219 -0.0422701 0.0563925 1.0300654 -0.0029887 -0.0670372 0.0067624 0.9999513 13 Na 1.0607024 0.0708219 0.0422701 0.0563925 1.0300654 0.0029887 0.0670372 -0.0067624 0.9999513 14 Na 0.8646337 -0.0099772 0.0503359 0.0029286 1.1451153 0.0138687 0.0431667 -0.0052626 1.1287146 15 Na 1.1491206 -0.0490538 0.0057142 -0.0123338 0.9611448 -0.0361471 0.0136112 0.0128116 1.0485999 16 Na 1.0607024 0.0708219 -0.0422701 0.0563925 1.0300654 -0.0029887 -0.0670372 0.0067624 0.9999513 17 Na 1.0607024 -0.0708219 -0.0422701 -0.0563925 1.0300654 0.0029887 -0.0670372 -0.0067624 0.9999513 18 Na 1.1491206 -0.0490538 -0.0057142 -0.0123338 0.9611448 0.0361471 -0.0136112 -0.0128116 1.0485999 19 Na 1.1491206 0.0490538 0.0057142 0.0123338 0.9611448 0.0361471 0.0136112 -0.0128116 1.0485999 20 Na 0.8646337 0.0099772 0.0503359 -0.0029286 1.1451153 -0.0138687 0.0431667 0.0052626 1.1287146 21 Na 0.8646337 0.0099772 -0.0503359 -0.0029286 1.1451153 0.0138687 -0.0431667 -0.0052626 1.1287146 22 Na 1.1491206 -0.0490538 0.0057142 -0.0123338 0.9611448 -0.0361471 0.0136112 0.0128116 1.0485999 23 Na 1.1491206 -0.0490538 -0.0057142 -0.0123338 0.9611448 0.0361471 -0.0136112 -0.0128116 1.0485999 24 Na 1.0607024 -0.0708219 0.0422701 -0.0563925 1.0300654 -0.0029887 0.0670372 0.0067624 0.9999513 25 N 2.1051893 -0.0357753 0.0189676 0.0230614 2.1740424 0.0220482 -0.0345188 -0.0588477 2.1560667 26 N 2.1051893 0.0357753 -0.0189676 -0.0230614 2.1740424 0.0220482 0.0345188 -0.0588477 2.1560667 27 N 2.1051893 0.0357753 0.0189676 -0.0230614 2.1740424 -0.0220482 -0.0345188 0.0588477 2.1560667 28 N 2.1051893 0.0357753 -0.0189676 -0.0230614 2.1740424 0.0220482 0.0345188 -0.0588477 2.1560667 29 N 2.1051893 -0.0357753 -0.0189676 0.0230614 2.1740424 -0.0220482 0.0345188 0.0588477 2.1560667 30 N 2.1051893 0.0357753 0.0189676 -0.0230614 2.1740424 -0.0220482 -0.0345188 0.0588477 2.1560667 31 N 2.1051893 -0.0357753 0.0189676 0.0230614 2.1740424 0.0220482 -0.0345188 -0.0588477 2.1560667 32 N 2.1051893 -0.0357753 -0.0189676 0.0230614 2.1740424 -0.0220482 0.0345188 0.0588477 2.1560667 33 O -1.4193048 -0.4775929 0.1682946 -0.5033922 -1.4212303 0.1834579 0.2119022 0.1993105 -1.0044344 34 O -1.2560547 0.1069821 -0.4939631 0.1555487 -1.0288133 0.2241427 -0.4296094 0.1515991 -1.7071211 35 O -1.4193048 -0.4775929 -0.1682946 -0.5033922 -1.4212303 -0.1834579 -0.2119022 -0.1993105 -1.0044344 36 O -1.3364040 -0.2679103 0.4517467 -0.2451781 -1.1813748 0.2999515 0.4583761 0.3162575 -1.4940589 37 O -1.2560547 -0.1069821 -0.4939631 -0.1555487 -1.0288133 -0.2241427 -0.4296094 -0.1515991 -1.7071211 38 O -1.3364040 -0.2679103 -0.4517467 -0.2451781 -1.1813748 -0.2999515 -0.4583761 -0.3162575 -1.4940589 39 O -1.1678825 -0.4180644 -0.2192947 -0.3741360 -1.6789496 -0.3434874 -0.1673756 -0.3316480 -1.1277182 40 O -1.4193048 0.4775929 -0.1682946 0.5033922 -1.4212303 0.1834579 -0.2119022 0.1993105 -1.0044344 41 O -1.2560547 0.1069821 0.4939631 0.1555487 -1.0288133 -0.2241427 0.4296094 -0.1515991 -1.7071211 42 O -1.4193048 0.4775929 0.1682946 0.5033922 -1.4212303 -0.1834579 0.2119022 -0.1993105 -1.0044344 43 O -1.1678825 -0.4180644 0.2192947 -0.3741360 -1.6789496 0.3434874 0.1673756 0.3316480 -1.1277182 44 O -1.2560547 0.1069821 -0.4939631 0.1555487 -1.0288133 0.2241427 -0.4296094 0.1515991 -1.7071211 45 O -1.2560547 0.1069821 0.4939631 0.1555487 -1.0288133 -0.2241427 0.4296094 -0.1515991 -1.7071211 46 O -1.1678825 0.4180644 0.2192947 0.3741360 -1.6789496 -0.3434874 0.1673756 -0.3316480 -1.1277182 47 O -1.4193048 -0.4775929 0.1682946 -0.5033922 -1.4212303 0.1834579 0.2119022 0.1993105 -1.0044344 48 O -1.3364040 0.2679103 0.4517467 0.2451781 -1.1813748 -0.2999515 0.4583761 -0.3162575 -1.4940589 49 O -1.3364040 0.2679103 0.4517467 0.2451781 -1.1813748 -0.2999515 0.4583761 -0.3162575 -1.4940589 50 O -1.1678825 0.4180644 -0.2192947 0.3741360 -1.6789496 0.3434874 -0.1673756 0.3316480 -1.1277182 51 O -1.1678825 -0.4180644 -0.2192947 -0.3741360 -1.6789496 -0.3434874 -0.1673756 -0.3316480 -1.1277182 52 O -1.1678825 0.4180644 0.2192947 0.3741360 -1.6789496 -0.3434874 0.1673756 -0.3316480 -1.1277182 53 O -1.2560547 -0.1069821 -0.4939631 -0.1555487 -1.0288133 -0.2241427 -0.4296094 -0.1515991 -1.7071211 54 O -1.4193048 0.4775929 0.1682946 0.5033922 -1.4212303 -0.1834579 0.2119022 -0.1993105 -1.0044344 55 O -1.4193048 -0.4775929 -0.1682946 -0.5033922 -1.4212303 -0.1834579 -0.2119022 -0.1993105 -1.0044344 56 O -1.3364040 -0.2679103 0.4517467 -0.2451781 -1.1813748 0.2999515 0.4583761 0.3162575 -1.4940589 57 O -1.2560547 -0.1069821 0.4939631 -0.1555487 -1.0288133 0.2241427 0.4296094 0.1515991 -1.7071211 58 O -1.4193048 0.4775929 -0.1682946 0.5033922 -1.4212303 0.1834579 -0.2119022 0.1993105 -1.0044344 59 O -1.1678825 -0.4180644 0.2192947 -0.3741360 -1.6789496 0.3434874 0.1673756 0.3316480 -1.1277182 60 O -1.2560547 -0.1069821 0.4939631 -0.1555487 -1.0288133 0.2241427 0.4296094 0.1515991 -1.7071211 61 O -1.1678825 0.4180644 -0.2192947 0.3741360 -1.6789496 0.3434874 -0.1673756 0.3316480 -1.1277182 62 O -1.3364040 0.2679103 -0.4517467 0.2451781 -1.1813748 0.2999515 -0.4583761 0.3162575 -1.4940589 63 O -1.3364040 -0.2679103 -0.4517467 -0.2451781 -1.1813748 -0.2999515 -0.4583761 -0.3162575 -1.4940589 64 O -1.3364040 0.2679103 -0.4517467 0.2451781 -1.1813748 0.2999515 -0.4583761 0.3162575 -1.4940589 ---------------------------------------------------------------------------- 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[ 3, 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[ 11, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, 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[ 71, 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[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 15:29:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:29:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.621826799999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.631053509999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.085118970000000 Atomic positions (fractional): 1 Na 0.61590177989507 0.85213495238121 0.95926932912116 22.990 2 Na 0.20391964015781 0.38468181020448 0.24279645454195 22.990 3 Na 0.38409822010493 0.35213495238121 0.54073067087884 22.990 4 Na 0.29608035984219 0.61531818979552 0.74279645454195 22.990 5 Na 0.29608035984219 0.88468181020448 0.24279645454195 22.990 6 Na 0.54899962029031 0.39545444850349 0.87629129875032 22.990 7 Na 0.88409822010493 0.14786504761879 0.45926932912116 22.990 8 Na 0.45100037970969 0.60454555149651 0.12370870124968 22.990 9 Na 0.95100037970969 0.60454555149651 0.37629129875032 22.990 10 Na 0.20391964015781 0.11531818979552 0.74279645454195 22.990 11 Na 0.70391964015781 0.11531818979552 0.75720354545805 22.990 12 Na 0.11590177989507 0.64786504761879 0.04073067087884 22.990 13 Na 0.61590177989507 0.64786504761879 0.45926932912116 22.990 14 Na 0.79608035984219 0.88468181020448 0.25720354545805 22.990 15 Na 0.95100037970969 0.89545444850349 0.87629129875032 22.990 16 Na 0.88409822010493 0.35213495238121 0.95926932912116 22.990 17 Na 0.11590177989507 0.85213495238121 0.54073067087884 22.990 18 Na 0.54899962029031 0.10454555149651 0.37629129875032 22.990 19 Na 0.04899962029031 0.39545444850349 0.62370870124968 22.990 20 Na 0.79608035984219 0.61531818979552 0.75720354545805 22.990 21 Na 0.70391964015781 0.38468181020448 0.25720354545805 22.990 22 Na 0.04899962029031 0.10454555149651 0.12370870124968 22.990 23 Na 0.45100037970969 0.89545444850349 0.62370870124968 22.990 24 Na 0.38409822010493 0.14786504761879 0.04073067087884 22.990 25 N 0.71239102764147 0.12111241892660 0.09838558376771 14.007 26 N 0.78760897235853 0.62111241892660 0.09838558376771 14.007 27 N 0.71239102764147 0.37888758107340 0.59838558376771 14.007 28 N 0.21239102764147 0.37888758107340 0.90161441623229 14.007 29 N 0.78760897235853 0.87888758107340 0.59838558376771 14.007 30 N 0.28760897235853 0.62111241892660 0.40161441623229 14.007 31 N 0.28760897235853 0.87888758107340 0.90161441623229 14.007 32 N 0.21239102764147 0.12111241892660 0.40161441623229 14.007 33 O 0.60560791988657 0.02172898959318 0.14071598658256 15.999 34 O 0.19862758932043 0.65818690963373 0.27997230787467 15.999 35 O 0.89439208011343 0.97827101040682 0.64071598658256 15.999 36 O 0.19070491053094 0.56900059830159 0.50984104498515 15.999 37 O 0.19862758932043 0.84181309036627 0.77997230787467 15.999 38 O 0.30929508946906 0.43099940169841 0.00984104498515 15.999 39 O 0.63703930793559 0.26156889419433 0.54599212253737 15.999 40 O 0.10560791988656 0.47827101040682 0.85928401341744 15.999 41 O 0.69862758932043 0.65818690963373 0.22002769212533 15.999 42 O 0.39439208011344 0.52172898959318 0.35928401341744 15.999 43 O 0.13703930793559 0.26156889419433 0.95400787746263 15.999 44 O 0.80137241067957 0.34181309036627 0.72002769212533 15.999 45 O 0.30137241067957 0.34181309036627 0.77997230787467 15.999 46 O 0.13703930793559 0.23843110580567 0.45400787746262 15.999 47 O 0.39439208011344 0.97827101040682 0.85928401341744 15.999 48 O 0.80929508946906 0.06900059830159 0.99015895501485 15.999 49 O 0.19070491053094 0.93099940169841 0.00984104498515 15.999 50 O 0.36296069206441 0.76156889419433 0.95400787746263 15.999 51 O 0.36296069206441 0.73843110580567 0.45400787746262 15.999 52 O 0.86296069206441 0.76156889419433 0.54599212253737 15.999 53 O 0.80137241067957 0.15818690963373 0.22002769212533 15.999 54 O 0.60560791988657 0.47827101040682 0.64071598658256 15.999 55 O 0.10560791988656 0.02172898959318 0.35928401341744 15.999 56 O 0.80929508946906 0.43099940169841 0.49015895501485 15.999 57 O 0.30137241067957 0.15818690963373 0.27997230787467 15.999 58 O 0.89439208011343 0.52172898959318 0.14071598658256 15.999 59 O 0.86296069206441 0.73843110580567 0.04599212253738 15.999 60 O 0.69862758932043 0.84181309036627 0.72002769212533 15.999 61 O 0.63703930793559 0.23843110580567 0.04599212253738 15.999 62 O 0.30929508946906 0.06900059830159 0.50984104498515 15.999 63 O 0.69070491053094 0.56900059830159 0.99015895501485 15.999 64 O 0.69070491053094 0.93099940169841 0.49015895501485 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.243653599999995 0.000000000000000 0.000000000000000 b 0.000000000000000 9.631053509999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.085118970000000 Atomic positions (fractional): 1 Na 0.30795088994753 0.85213495238121 0.95926932912116 22.990 > 1 2 Na 0.80795088994753 0.85213495238121 0.95926932912116 22.990 > 1 3 Na 0.10195982007891 0.38468181020448 0.24279645454195 22.990 > 3 4 Na 0.60195982007891 0.38468181020448 0.24279645454195 22.990 > 3 5 Na 0.19204911005247 0.35213495238121 0.54073067087884 22.990 > 5 6 Na 0.69204911005247 0.35213495238121 0.54073067087884 22.990 > 5 7 Na 0.14804017992109 0.61531818979552 0.74279645454195 22.990 > 7 8 Na 0.64804017992109 0.61531818979552 0.74279645454195 22.990 > 7 9 Na 0.14804017992109 0.88468181020448 0.24279645454195 22.990 > 9 10 Na 0.64804017992109 0.88468181020448 0.24279645454195 22.990 > 9 11 Na 0.27449981014516 0.39545444850349 0.87629129875032 22.990 > 11 12 Na 0.77449981014516 0.39545444850349 0.87629129875032 22.990 > 11 13 Na 0.44204911005247 0.14786504761879 0.45926932912116 22.990 > 13 14 Na 0.94204911005247 0.14786504761879 0.45926932912116 22.990 > 13 15 Na 0.22550018985484 0.60454555149651 0.12370870124968 22.990 > 15 16 Na 0.72550018985484 0.60454555149651 0.12370870124968 22.990 > 15 17 Na 0.47550018985484 0.60454555149651 0.37629129875032 22.990 > 17 18 Na 0.97550018985484 0.60454555149651 0.37629129875032 22.990 > 17 19 Na 0.10195982007891 0.11531818979552 0.74279645454195 22.990 > 19 20 Na 0.60195982007891 0.11531818979552 0.74279645454195 22.990 > 19 21 Na 0.35195982007891 0.11531818979552 0.75720354545805 22.990 > 21 22 Na 0.85195982007891 0.11531818979552 0.75720354545805 22.990 > 21 23 Na 0.05795088994753 0.64786504761879 0.04073067087884 22.990 > 23 24 Na 0.55795088994753 0.64786504761879 0.04073067087884 22.990 > 23 25 Na 0.30795088994753 0.64786504761879 0.45926932912116 22.990 > 25 26 Na 0.80795088994753 0.64786504761879 0.45926932912116 22.990 > 25 27 Na 0.39804017992109 0.88468181020448 0.25720354545805 22.990 > 27 28 Na 0.89804017992109 0.88468181020448 0.25720354545805 22.990 > 27 29 Na 0.47550018985484 0.89545444850349 0.87629129875032 22.990 > 29 30 Na 0.97550018985484 0.89545444850349 0.87629129875032 22.990 > 29 31 Na 0.44204911005247 0.35213495238121 0.95926932912116 22.990 > 31 32 Na 0.94204911005247 0.35213495238121 0.95926932912116 22.990 > 31 33 Na 0.05795088994753 0.85213495238121 0.54073067087884 22.990 > 33 34 Na 0.55795088994753 0.85213495238121 0.54073067087884 22.990 > 33 35 Na 0.27449981014516 0.10454555149651 0.37629129875032 22.990 > 35 36 Na 0.77449981014516 0.10454555149651 0.37629129875032 22.990 > 35 37 Na 0.02449981014516 0.39545444850349 0.62370870124968 22.990 > 37 38 Na 0.52449981014516 0.39545444850349 0.62370870124968 22.990 > 37 39 Na 0.39804017992109 0.61531818979552 0.75720354545805 22.990 > 39 40 Na 0.89804017992109 0.61531818979552 0.75720354545805 22.990 > 39 41 Na 0.35195982007891 0.38468181020448 0.25720354545805 22.990 > 41 42 Na 0.85195982007891 0.38468181020448 0.25720354545805 22.990 > 41 43 Na 0.02449981014516 0.10454555149651 0.12370870124968 22.990 > 43 44 Na 0.52449981014516 0.10454555149651 0.12370870124968 22.990 > 43 45 Na 0.22550018985484 0.89545444850349 0.62370870124968 22.990 > 45 46 Na 0.72550018985484 0.89545444850349 0.62370870124968 22.990 > 45 47 Na 0.19204911005247 0.14786504761879 0.04073067087884 22.990 > 47 48 Na 0.69204911005247 0.14786504761879 0.04073067087884 22.990 > 47 49 N 0.35619551382073 0.12111241892660 0.09838558376771 14.007 > 49 50 N 0.85619551382073 0.12111241892660 0.09838558376771 14.007 > 49 51 N 0.39380448617927 0.62111241892660 0.09838558376771 14.007 > 51 52 N 0.89380448617927 0.62111241892660 0.09838558376771 14.007 > 51 53 N 0.35619551382073 0.37888758107340 0.59838558376771 14.007 > 53 54 N 0.85619551382073 0.37888758107340 0.59838558376771 14.007 > 53 55 N 0.10619551382073 0.37888758107340 0.90161441623229 14.007 > 55 56 N 0.60619551382073 0.37888758107340 0.90161441623229 14.007 > 55 57 N 0.39380448617927 0.87888758107340 0.59838558376771 14.007 > 57 58 N 0.89380448617927 0.87888758107340 0.59838558376771 14.007 > 57 59 N 0.14380448617927 0.62111241892660 0.40161441623229 14.007 > 59 60 N 0.64380448617927 0.62111241892660 0.40161441623229 14.007 > 59 61 N 0.14380448617927 0.87888758107340 0.90161441623229 14.007 > 61 62 N 0.64380448617927 0.87888758107340 0.90161441623229 14.007 > 61 63 N 0.10619551382073 0.12111241892660 0.40161441623229 14.007 > 63 64 N 0.60619551382073 0.12111241892660 0.40161441623229 14.007 > 63 65 O 0.30280395994328 0.02172898959318 0.14071598658256 15.999 > 65 66 O 0.80280395994328 0.02172898959318 0.14071598658256 15.999 > 65 67 O 0.09931379466021 0.65818690963373 0.27997230787467 15.999 > 67 68 O 0.59931379466021 0.65818690963373 0.27997230787467 15.999 > 67 69 O 0.44719604005672 0.97827101040682 0.64071598658256 15.999 > 69 70 O 0.94719604005672 0.97827101040682 0.64071598658256 15.999 > 69 71 O 0.09535245526547 0.56900059830159 0.50984104498515 15.999 > 71 72 O 0.59535245526547 0.56900059830159 0.50984104498515 15.999 > 71 73 O 0.09931379466021 0.84181309036627 0.77997230787467 15.999 > 73 74 O 0.59931379466021 0.84181309036627 0.77997230787467 15.999 > 73 75 O 0.15464754473453 0.43099940169841 0.00984104498515 15.999 > 75 76 O 0.65464754473453 0.43099940169841 0.00984104498515 15.999 > 75 77 O 0.31851965396780 0.26156889419433 0.54599212253737 15.999 > 77 78 O 0.81851965396780 0.26156889419433 0.54599212253737 15.999 > 77 79 O 0.05280395994328 0.47827101040682 0.85928401341744 15.999 > 79 80 O 0.55280395994328 0.47827101040682 0.85928401341744 15.999 > 79 81 O 0.34931379466021 0.65818690963373 0.22002769212533 15.999 > 81 82 O 0.84931379466021 0.65818690963373 0.22002769212533 15.999 > 81 83 O 0.19719604005672 0.52172898959318 0.35928401341744 15.999 > 83 84 O 0.69719604005672 0.52172898959318 0.35928401341744 15.999 > 83 85 O 0.06851965396780 0.26156889419433 0.95400787746263 15.999 > 85 86 O 0.56851965396780 0.26156889419433 0.95400787746263 15.999 > 85 87 O 0.40068620533979 0.34181309036627 0.72002769212533 15.999 > 87 88 O 0.90068620533979 0.34181309036627 0.72002769212533 15.999 > 87 89 O 0.15068620533979 0.34181309036627 0.77997230787467 15.999 > 89 90 O 0.65068620533979 0.34181309036627 0.77997230787467 15.999 > 89 91 O 0.06851965396780 0.23843110580567 0.45400787746262 15.999 > 91 92 O 0.56851965396780 0.23843110580567 0.45400787746262 15.999 > 91 93 O 0.19719604005672 0.97827101040682 0.85928401341744 15.999 > 93 94 O 0.69719604005672 0.97827101040682 0.85928401341744 15.999 > 93 95 O 0.40464754473453 0.06900059830159 0.99015895501485 15.999 > 95 96 O 0.90464754473453 0.06900059830159 0.99015895501485 15.999 > 95 97 O 0.09535245526547 0.93099940169841 0.00984104498515 15.999 > 97 98 O 0.59535245526547 0.93099940169841 0.00984104498515 15.999 > 97 99 O 0.18148034603220 0.76156889419433 0.95400787746263 15.999 > 99 100 O 0.68148034603220 0.76156889419433 0.95400787746263 15.999 > 99 101 O 0.18148034603220 0.73843110580567 0.45400787746262 15.999 > 101 102 O 0.68148034603220 0.73843110580567 0.45400787746262 15.999 > 101 103 O 0.43148034603220 0.76156889419433 0.54599212253737 15.999 > 103 104 O 0.93148034603220 0.76156889419433 0.54599212253737 15.999 > 103 105 O 0.40068620533979 0.15818690963373 0.22002769212533 15.999 > 105 106 O 0.90068620533979 0.15818690963373 0.22002769212533 15.999 > 105 107 O 0.30280395994328 0.47827101040682 0.64071598658256 15.999 > 107 108 O 0.80280395994328 0.47827101040682 0.64071598658256 15.999 > 107 109 O 0.05280395994328 0.02172898959318 0.35928401341744 15.999 > 109 110 O 0.55280395994328 0.02172898959318 0.35928401341744 15.999 > 109 111 O 0.40464754473453 0.43099940169841 0.49015895501485 15.999 > 111 112 O 0.90464754473453 0.43099940169841 0.49015895501485 15.999 > 111 113 O 0.15068620533979 0.15818690963373 0.27997230787467 15.999 > 113 114 O 0.65068620533979 0.15818690963373 0.27997230787467 15.999 > 113 115 O 0.44719604005672 0.52172898959318 0.14071598658256 15.999 > 115 116 O 0.94719604005672 0.52172898959318 0.14071598658256 15.999 > 115 117 O 0.43148034603220 0.73843110580567 0.04599212253738 15.999 > 117 118 O 0.93148034603220 0.73843110580567 0.04599212253738 15.999 > 117 119 O 0.34931379466021 0.84181309036627 0.72002769212533 15.999 > 119 120 O 0.84931379466021 0.84181309036627 0.72002769212533 15.999 > 119 121 O 0.31851965396780 0.23843110580567 0.04599212253738 15.999 > 121 122 O 0.81851965396780 0.23843110580567 0.04599212253738 15.999 > 121 123 O 0.15464754473453 0.06900059830159 0.50984104498515 15.999 > 123 124 O 0.65464754473453 0.06900059830159 0.50984104498515 15.999 > 123 125 O 0.34535245526547 0.56900059830159 0.99015895501485 15.999 > 125 126 O 0.84535245526547 0.56900059830159 0.99015895501485 15.999 > 125 127 O 0.34535245526547 0.93099940169841 0.49015895501485 15.999 > 127 128 O 0.84535245526547 0.93099940169841 0.49015895501485 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4162421 0.0000000 0.0000000 0.0000000 2.4285485 0.0000000 0.0000000 0.0000000 2.4269167 -------------------------- Born effective charges -------------------------- 1 Na 1.0607024 -0.0708219 0.0422701 -0.0563925 1.0300654 -0.0029887 0.0670372 0.0067624 0.9999513 2 Na 0.8646337 0.0099772 0.0503359 -0.0029286 1.1451153 -0.0138687 0.0431667 0.0052626 1.1287146 3 Na 1.0607024 0.0708219 0.0422701 0.0563925 1.0300654 0.0029887 0.0670372 -0.0067624 0.9999513 4 Na 0.8646337 0.0099772 -0.0503359 -0.0029286 1.1451153 0.0138687 -0.0431667 -0.0052626 1.1287146 5 Na 0.8646337 -0.0099772 -0.0503359 0.0029286 1.1451153 -0.0138687 -0.0431667 0.0052626 1.1287146 6 Na 1.1491206 0.0490538 -0.0057142 0.0123338 0.9611448 -0.0361471 -0.0136112 0.0128116 1.0485999 7 Na 1.0607024 -0.0708219 -0.0422701 -0.0563925 1.0300654 0.0029887 -0.0670372 -0.0067624 0.9999513 8 Na 1.1491206 0.0490538 -0.0057142 0.0123338 0.9611448 -0.0361471 -0.0136112 0.0128116 1.0485999 9 Na 1.1491206 0.0490538 0.0057142 0.0123338 0.9611448 0.0361471 0.0136112 -0.0128116 1.0485999 10 Na 0.8646337 -0.0099772 0.0503359 0.0029286 1.1451153 0.0138687 0.0431667 -0.0052626 1.1287146 11 Na 0.8646337 -0.0099772 -0.0503359 0.0029286 1.1451153 -0.0138687 -0.0431667 0.0052626 1.1287146 12 Na 1.0607024 0.0708219 -0.0422701 0.0563925 1.0300654 -0.0029887 -0.0670372 0.0067624 0.9999513 13 Na 1.0607024 0.0708219 0.0422701 0.0563925 1.0300654 0.0029887 0.0670372 -0.0067624 0.9999513 14 Na 0.8646337 -0.0099772 0.0503359 0.0029286 1.1451153 0.0138687 0.0431667 -0.0052626 1.1287146 15 Na 1.1491206 -0.0490538 0.0057142 -0.0123338 0.9611448 -0.0361471 0.0136112 0.0128116 1.0485999 16 Na 1.0607024 0.0708219 -0.0422701 0.0563925 1.0300654 -0.0029887 -0.0670372 0.0067624 0.9999513 17 Na 1.0607024 -0.0708219 -0.0422701 -0.0563925 1.0300654 0.0029887 -0.0670372 -0.0067624 0.9999513 18 Na 1.1491206 -0.0490538 -0.0057142 -0.0123338 0.9611448 0.0361471 -0.0136112 -0.0128116 1.0485999 19 Na 1.1491206 0.0490538 0.0057142 0.0123338 0.9611448 0.0361471 0.0136112 -0.0128116 1.0485999 20 Na 0.8646337 0.0099772 0.0503359 -0.0029286 1.1451153 -0.0138687 0.0431667 0.0052626 1.1287146 21 Na 0.8646337 0.0099772 -0.0503359 -0.0029286 1.1451153 0.0138687 -0.0431667 -0.0052626 1.1287146 22 Na 1.1491206 -0.0490538 0.0057142 -0.0123338 0.9611448 -0.0361471 0.0136112 0.0128116 1.0485999 23 Na 1.1491206 -0.0490538 -0.0057142 -0.0123338 0.9611448 0.0361471 -0.0136112 -0.0128116 1.0485999 24 Na 1.0607024 -0.0708219 0.0422701 -0.0563925 1.0300654 -0.0029887 0.0670372 0.0067624 0.9999513 25 N 2.1051893 -0.0357753 0.0189676 0.0230614 2.1740424 0.0220482 -0.0345188 -0.0588477 2.1560667 26 N 2.1051893 0.0357753 -0.0189676 -0.0230614 2.1740424 0.0220482 0.0345188 -0.0588477 2.1560667 27 N 2.1051893 0.0357753 0.0189676 -0.0230614 2.1740424 -0.0220482 -0.0345188 0.0588477 2.1560667 28 N 2.1051893 0.0357753 -0.0189676 -0.0230614 2.1740424 0.0220482 0.0345188 -0.0588477 2.1560667 29 N 2.1051893 -0.0357753 -0.0189676 0.0230614 2.1740424 -0.0220482 0.0345188 0.0588477 2.1560667 30 N 2.1051893 0.0357753 0.0189676 -0.0230614 2.1740424 -0.0220482 -0.0345188 0.0588477 2.1560667 31 N 2.1051893 -0.0357753 0.0189676 0.0230614 2.1740424 0.0220482 -0.0345188 -0.0588477 2.1560667 32 N 2.1051893 -0.0357753 -0.0189676 0.0230614 2.1740424 -0.0220482 0.0345188 0.0588477 2.1560667 33 O -1.4193048 -0.4775929 0.1682946 -0.5033922 -1.4212303 0.1834579 0.2119022 0.1993105 -1.0044344 34 O -1.2560547 0.1069821 -0.4939631 0.1555487 -1.0288133 0.2241427 -0.4296094 0.1515991 -1.7071211 35 O -1.4193048 -0.4775929 -0.1682946 -0.5033922 -1.4212303 -0.1834579 -0.2119022 -0.1993105 -1.0044344 36 O -1.3364040 -0.2679103 0.4517467 -0.2451781 -1.1813748 0.2999515 0.4583761 0.3162575 -1.4940589 37 O -1.2560547 -0.1069821 -0.4939631 -0.1555487 -1.0288133 -0.2241427 -0.4296094 -0.1515991 -1.7071211 38 O -1.3364040 -0.2679103 -0.4517467 -0.2451781 -1.1813748 -0.2999515 -0.4583761 -0.3162575 -1.4940589 39 O -1.1678825 -0.4180644 -0.2192947 -0.3741360 -1.6789496 -0.3434874 -0.1673756 -0.3316480 -1.1277182 40 O -1.4193048 0.4775929 -0.1682946 0.5033922 -1.4212303 0.1834579 -0.2119022 0.1993105 -1.0044344 41 O -1.2560547 0.1069821 0.4939631 0.1555487 -1.0288133 -0.2241427 0.4296094 -0.1515991 -1.7071211 42 O -1.4193048 0.4775929 0.1682946 0.5033922 -1.4212303 -0.1834579 0.2119022 -0.1993105 -1.0044344 43 O -1.1678825 -0.4180644 0.2192947 -0.3741360 -1.6789496 0.3434874 0.1673756 0.3316480 -1.1277182 44 O -1.2560547 0.1069821 -0.4939631 0.1555487 -1.0288133 0.2241427 -0.4296094 0.1515991 -1.7071211 45 O -1.2560547 0.1069821 0.4939631 0.1555487 -1.0288133 -0.2241427 0.4296094 -0.1515991 -1.7071211 46 O -1.1678825 0.4180644 0.2192947 0.3741360 -1.6789496 -0.3434874 0.1673756 -0.3316480 -1.1277182 47 O -1.4193048 -0.4775929 0.1682946 -0.5033922 -1.4212303 0.1834579 0.2119022 0.1993105 -1.0044344 48 O -1.3364040 0.2679103 0.4517467 0.2451781 -1.1813748 -0.2999515 0.4583761 -0.3162575 -1.4940589 49 O -1.3364040 0.2679103 0.4517467 0.2451781 -1.1813748 -0.2999515 0.4583761 -0.3162575 -1.4940589 50 O -1.1678825 0.4180644 -0.2192947 0.3741360 -1.6789496 0.3434874 -0.1673756 0.3316480 -1.1277182 51 O -1.1678825 -0.4180644 -0.2192947 -0.3741360 -1.6789496 -0.3434874 -0.1673756 -0.3316480 -1.1277182 52 O -1.1678825 0.4180644 0.2192947 0.3741360 -1.6789496 -0.3434874 0.1673756 -0.3316480 -1.1277182 53 O -1.2560547 -0.1069821 -0.4939631 -0.1555487 -1.0288133 -0.2241427 -0.4296094 -0.1515991 -1.7071211 54 O -1.4193048 0.4775929 0.1682946 0.5033922 -1.4212303 -0.1834579 0.2119022 -0.1993105 -1.0044344 55 O -1.4193048 -0.4775929 -0.1682946 -0.5033922 -1.4212303 -0.1834579 -0.2119022 -0.1993105 -1.0044344 56 O -1.3364040 -0.2679103 0.4517467 -0.2451781 -1.1813748 0.2999515 0.4583761 0.3162575 -1.4940589 57 O -1.2560547 -0.1069821 0.4939631 -0.1555487 -1.0288133 0.2241427 0.4296094 0.1515991 -1.7071211 58 O -1.4193048 0.4775929 -0.1682946 0.5033922 -1.4212303 0.1834579 -0.2119022 0.1993105 -1.0044344 59 O -1.1678825 -0.4180644 0.2192947 -0.3741360 -1.6789496 0.3434874 0.1673756 0.3316480 -1.1277182 60 O -1.2560547 -0.1069821 0.4939631 -0.1555487 -1.0288133 0.2241427 0.4296094 0.1515991 -1.7071211 61 O -1.1678825 0.4180644 -0.2192947 0.3741360 -1.6789496 0.3434874 -0.1673756 0.3316480 -1.1277182 62 O -1.3364040 0.2679103 -0.4517467 0.2451781 -1.1813748 0.2999515 -0.4583761 0.3162575 -1.4940589 63 O -1.3364040 -0.2679103 -0.4517467 -0.2451781 -1.1813748 -0.2999515 -0.4583761 -0.3162575 -1.4940589 64 O -1.3364040 0.2679103 -0.4517467 0.2451781 -1.1813748 0.2999515 -0.4583761 0.3162575 -1.4940589 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 5 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: 299, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 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 0.670 ( 0.000 0.000 0.000) 0.000 1.427 ( 0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.783 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.519 ( 0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 5.924 ( 0.000 0.000 0.000) 0.000 5.995 ( 0.000 0.000 0.000) 0.000 6.055 ( 0.000 0.000 0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.360 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 6.596 ( 0.000 0.000 0.000) 0.000 6.640 ( 0.000 0.000 0.000) 0.000 6.704 ( 0.000 0.000 0.000) 0.000 6.710 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.748 ( 0.000 0.000 0.000) 0.000 6.751 ( 0.000 0.000 0.000) 0.000 6.758 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 6.967 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.053 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.362 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 7.392 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 0.000 0.000) 0.000 7.564 ( 0.000 0.000 0.000) 0.000 7.632 ( 0.000 0.000 0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 7.672 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.092 ( 0.000 0.000 0.000) 0.000 8.146 ( 0.000 0.000 0.000) 0.000 8.209 ( 0.000 0.000 0.000) 0.000 8.256 ( 0.000 0.000 0.000) 0.000 8.425 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.560 ( 0.000 0.000 0.000) 0.000 8.610 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 15.024 ( 0.000 0.000 0.000) 0.000 15.033 ( 0.000 0.000 0.000) 0.000 15.052 ( 0.000 0.000 0.000) 0.000 15.063 ( 0.000 0.000 0.000) 0.000 15.084 ( 0.000 0.000 0.000) 0.000 15.105 ( 0.000 0.000 0.000) 0.000 15.149 ( 0.000 0.000 0.000) 0.000 15.199 ( 0.000 0.000 0.000) 0.000 15.228 ( 0.000 0.000 0.000) 0.000 15.270 ( 0.000 0.000 0.000) 0.000 15.281 ( 0.000 0.000 0.000) 0.000 15.320 ( 0.000 0.000 0.000) 0.000 15.336 ( 0.000 0.000 0.000) 0.000 15.351 ( 0.000 0.000 0.000) 0.000 15.357 ( 0.000 0.000 0.000) 0.000 15.536 ( 0.000 0.000 0.000) 0.000 18.711 ( 0.000 0.000 0.000) 0.000 18.744 ( 0.000 0.000 0.000) 0.000 18.798 ( 0.000 0.000 0.000) 0.000 18.819 ( 0.000 0.000 0.000) 0.000 18.844 ( 0.000 0.000 0.000) 0.000 18.845 ( 0.000 0.000 0.000) 0.000 18.908 ( 0.000 0.000 0.000) 0.000 19.007 ( 0.000 0.000 0.000) 0.000 19.070 ( 0.000 0.000 0.000) 0.000 19.098 ( 0.000 0.000 0.000) 0.000 19.173 ( 0.000 0.000 0.000) 0.000 19.211 ( 0.000 0.000 0.000) 0.000 19.234 ( 0.000 0.000 0.000) 0.000 19.248 ( 0.000 0.000 0.000) 0.000 19.278 ( 0.000 0.000 0.000) 0.000 19.282 ( 0.000 0.000 0.000) 0.000 19.295 ( 0.000 0.000 0.000) 0.000 19.350 ( 0.000 0.000 0.000) 0.000 19.357 ( 0.000 0.000 0.000) 0.000 19.381 ( 0.000 0.000 0.000) 0.000 19.386 ( 0.000 0.000 0.000) 0.000 19.447 ( 0.000 0.000 0.000) 0.000 19.559 ( 0.000 0.000 0.000) 0.000 19.632 ( 0.000 0.000 0.000) 0.000 25.495 ( 0.000 0.000 0.000) 0.000 25.497 ( 0.000 0.000 0.000) 0.000 25.501 ( 0.000 0.000 0.000) 0.000 25.503 ( 0.000 0.000 0.000) 0.000 25.511 ( 0.000 0.000 0.000) 0.000 25.513 ( 0.000 0.000 0.000) 0.000 25.514 ( 0.000 0.000 0.000) 0.000 25.528 ( 0.000 0.000 0.000) 0.000 26.613 ( 0.000 0.000 0.000) 0.000 26.871 ( 0.000 0.000 0.000) 0.000 26.871 ( 0.000 0.000 0.000) 0.000 26.872 ( 0.000 0.000 0.000) 0.000 27.044 ( 0.000 0.000 0.000) 0.000 27.117 ( 0.000 0.000 0.000) 0.000 27.148 ( 0.000 0.000 0.000) 0.000 27.239 ( 0.000 0.000 0.000) 0.000 27.309 ( 0.000 0.000 0.000) 0.000 27.341 ( 0.000 0.000 0.000) 0.000 27.498 ( 0.000 0.000 0.000) 0.000 27.576 ( 0.000 0.000 0.000) 0.000 27.702 ( 0.000 0.000 0.000) 0.000 27.877 ( 0.000 0.000 0.000) 0.000 27.946 ( 0.000 0.000 0.000) 0.000 28.023 ( 0.000 0.000 0.000) 0.000 28.134 ( 0.000 0.000 0.000) 0.000 28.246 ( 0.000 0.000 0.000) 0.000 28.495 ( 0.000 0.000 0.000) 0.000 28.516 ( 0.000 0.000 0.000) 0.000 28.857 ( 0.000 0.000 0.000) 0.000 29.004 ( 0.000 0.000 0.000) 0.000 29.050 ( 0.000 0.000 0.000) 0.000 29.440 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 21.985 0.000 0.000) 21.985 0.564 ( 29.048 0.000 0.000) 29.048 0.775 ( 10.001 0.000 0.000) 10.001 1.027 ( 50.168 0.000 0.000) 50.168 1.336 ( -7.211 0.000 0.000) 7.211 1.812 ( 10.380 0.000 0.000) 10.380 1.958 ( -10.392 0.000 0.000) 10.392 2.039 ( 16.453 0.000 0.000) 16.453 2.223 ( 8.131 0.000 0.000) 8.131 2.400 ( 4.612 0.000 0.000) 4.612 2.468 ( -2.363 0.000 0.000) 2.363 2.583 ( 0.492 0.000 0.000) 0.492 2.607 ( -14.216 0.000 0.000) 14.216 2.630 ( -1.684 0.000 0.000) 1.684 2.713 ( 4.235 0.000 0.000) 4.235 2.887 ( -0.598 0.000 0.000) 0.598 2.962 ( -2.981 0.000 0.000) 2.981 3.039 ( 6.293 0.000 0.000) 6.293 3.081 ( 0.601 0.000 0.000) 0.601 3.112 ( -7.642 0.000 0.000) 7.642 3.138 ( -7.142 0.000 0.000) 7.142 3.242 ( 3.018 0.000 0.000) 3.018 3.317 ( -6.397 0.000 0.000) 6.397 3.378 ( 1.642 0.000 0.000) 1.642 3.568 ( -10.540 0.000 0.000) 10.540 3.589 ( -2.336 0.000 0.000) 2.336 3.626 ( 7.099 0.000 0.000) 7.099 3.636 ( 1.047 0.000 0.000) 1.047 3.663 ( 2.811 0.000 0.000) 2.811 3.725 ( -5.855 0.000 0.000) 5.855 3.726 ( 0.465 0.000 0.000) 0.465 3.925 ( 6.392 0.000 0.000) 6.392 3.934 ( 1.455 0.000 0.000) 1.455 3.988 ( -9.106 0.000 0.000) 9.106 4.014 ( 4.514 0.000 0.000) 4.514 4.106 ( -3.670 0.000 0.000) 3.670 4.116 ( -2.693 0.000 0.000) 2.693 4.190 ( 8.397 0.000 0.000) 8.397 4.290 ( -5.930 0.000 0.000) 5.930 4.305 ( 7.678 0.000 0.000) 7.678 4.346 ( 6.290 0.000 0.000) 6.290 4.431 ( 5.387 0.000 0.000) 5.387 4.437 ( 4.190 0.000 0.000) 4.190 4.552 ( 2.718 0.000 0.000) 2.718 4.554 ( 8.239 0.000 0.000) 8.239 4.625 ( 0.721 0.000 0.000) 0.721 4.725 ( -8.152 0.000 0.000) 8.152 4.888 ( -2.712 0.000 0.000) 2.712 4.903 ( -3.340 0.000 0.000) 3.340 4.998 ( 6.165 0.000 0.000) 6.165 5.022 ( 3.154 0.000 0.000) 3.154 5.030 ( -0.076 0.000 0.000) 0.076 5.169 ( 3.141 0.000 0.000) 3.141 5.176 ( -4.953 0.000 0.000) 4.953 5.195 ( 2.475 0.000 0.000) 2.475 5.377 ( -6.891 0.000 0.000) 6.891 5.452 ( 6.148 0.000 0.000) 6.148 5.507 ( -1.175 0.000 0.000) 1.175 5.546 ( 9.318 0.000 0.000) 9.318 5.581 ( -0.140 0.000 0.000) 0.140 5.605 ( 4.435 0.000 0.000) 4.435 5.721 ( -1.976 0.000 0.000) 1.976 5.848 ( 0.541 0.000 0.000) 0.541 5.880 ( -3.872 0.000 0.000) 3.872 5.896 ( -2.925 0.000 0.000) 2.925 5.908 ( -2.590 0.000 0.000) 2.590 5.971 ( -13.022 0.000 0.000) 13.022 6.033 ( -7.678 0.000 0.000) 7.678 6.033 ( 2.300 0.000 0.000) 2.300 6.077 ( 2.009 0.000 0.000) 2.009 6.122 ( -3.100 0.000 0.000) 3.100 6.149 ( -7.624 0.000 0.000) 7.624 6.165 ( -15.062 0.000 0.000) 15.062 6.304 ( 3.361 0.000 0.000) 3.361 6.493 ( -0.120 0.000 0.000) 0.120 6.527 ( -10.932 0.000 0.000) 10.932 6.556 ( 0.469 0.000 0.000) 0.469 6.592 ( -1.440 0.000 0.000) 1.440 6.608 ( 4.043 0.000 0.000) 4.043 6.642 ( -9.537 0.000 0.000) 9.537 6.647 ( 1.996 0.000 0.000) 1.996 6.682 ( -1.026 0.000 0.000) 1.026 6.759 ( 2.374 0.000 0.000) 2.374 6.763 ( -0.354 0.000 0.000) 0.354 6.793 ( -4.102 0.000 0.000) 4.102 6.812 ( -1.264 0.000 0.000) 1.264 6.879 ( -9.562 0.000 0.000) 9.562 6.927 ( 0.035 0.000 0.000) 0.035 6.943 ( -4.043 0.000 0.000) 4.043 6.985 ( 4.178 0.000 0.000) 4.178 7.031 ( -1.842 0.000 0.000) 1.842 7.044 ( -2.338 0.000 0.000) 2.338 7.117 ( -10.227 0.000 0.000) 10.227 7.165 ( -3.733 0.000 0.000) 3.733 7.197 ( -0.886 0.000 0.000) 0.886 7.274 ( -8.810 0.000 0.000) 8.810 7.295 ( -1.087 0.000 0.000) 1.087 7.329 ( 0.992 0.000 0.000) 0.992 7.334 ( 5.067 0.000 0.000) 5.067 7.463 ( 2.293 0.000 0.000) 2.293 7.535 ( 3.534 0.000 0.000) 3.534 7.676 ( 2.675 0.000 0.000) 2.675 7.696 ( 4.336 0.000 0.000) 4.336 7.701 ( 12.450 0.000 0.000) 12.450 7.726 ( 7.234 0.000 0.000) 7.234 7.805 ( 6.776 0.000 0.000) 6.776 7.911 ( 2.721 0.000 0.000) 2.721 7.934 ( 5.739 0.000 0.000) 5.739 7.987 ( 2.188 0.000 0.000) 2.188 8.085 ( 7.268 0.000 0.000) 7.268 8.095 ( -0.056 0.000 0.000) 0.056 8.142 ( -0.372 0.000 0.000) 0.372 8.147 ( -8.561 0.000 0.000) 8.561 8.252 ( 3.589 0.000 0.000) 3.589 8.447 ( -4.175 0.000 0.000) 4.175 8.488 ( 4.198 0.000 0.000) 4.198 8.556 ( -5.008 0.000 0.000) 5.008 8.606 ( 14.775 0.000 0.000) 14.775 8.634 ( -1.618 0.000 0.000) 1.618 9.731 ( -5.050 0.000 0.000) 5.050 15.028 ( 0.333 0.000 0.000) 0.333 15.035 ( 0.248 0.000 0.000) 0.248 15.052 ( 0.101 0.000 0.000) 0.101 15.057 ( -0.521 0.000 0.000) 0.521 15.086 ( 0.045 0.000 0.000) 0.045 15.096 ( -0.762 0.000 0.000) 0.762 15.158 ( 0.801 0.000 0.000) 0.801 15.202 ( 0.269 0.000 0.000) 0.269 15.229 ( 0.190 0.000 0.000) 0.190 15.265 ( -0.499 0.000 0.000) 0.499 15.278 ( -0.149 0.000 0.000) 0.149 15.328 ( -0.716 0.000 0.000) 0.716 15.334 ( 1.412 0.000 0.000) 1.412 15.345 ( -0.571 0.000 0.000) 0.571 15.348 ( -0.882 0.000 0.000) 0.882 15.520 ( -1.583 0.000 0.000) 1.583 18.720 ( 0.928 0.000 0.000) 0.928 18.757 ( 1.244 0.000 0.000) 1.244 18.812 ( 1.384 0.000 0.000) 1.384 18.818 ( -0.101 0.000 0.000) 0.101 18.835 ( -0.991 0.000 0.000) 0.991 18.907 ( -0.150 0.000 0.000) 0.150 18.910 ( 0.600 0.000 0.000) 0.600 19.001 ( -0.637 0.000 0.000) 0.637 19.099 ( 0.098 0.000 0.000) 0.098 19.128 ( -0.255 0.000 0.000) 0.255 19.186 ( 1.222 0.000 0.000) 1.222 19.202 ( -0.624 0.000 0.000) 0.624 19.241 ( -0.485 0.000 0.000) 0.485 19.244 ( 1.014 0.000 0.000) 1.014 19.282 ( 0.267 0.000 0.000) 0.267 19.289 ( -0.588 0.000 0.000) 0.588 19.296 ( 1.171 0.000 0.000) 1.171 19.364 ( 0.518 0.000 0.000) 0.518 19.370 ( -1.036 0.000 0.000) 1.036 19.378 ( -0.743 0.000 0.000) 0.743 19.454 ( 0.815 0.000 0.000) 0.815 19.496 ( 0.723 0.000 0.000) 0.723 19.557 ( -0.222 0.000 0.000) 0.222 19.618 ( -1.409 0.000 0.000) 1.409 25.495 ( -0.022 0.000 0.000) 0.022 25.498 ( 0.096 0.000 0.000) 0.096 25.502 ( 0.108 0.000 0.000) 0.108 25.506 ( -0.093 0.000 0.000) 0.093 25.510 ( -0.091 0.000 0.000) 0.091 25.513 ( -0.110 0.000 0.000) 0.110 25.516 ( 0.230 0.000 0.000) 0.230 25.529 ( 0.107 0.000 0.000) 0.107 26.673 ( 5.962 0.000 0.000) 5.962 26.857 ( -1.103 0.000 0.000) 1.103 26.882 ( 1.153 0.000 0.000) 1.153 26.910 ( 3.898 0.000 0.000) 3.898 27.110 ( -0.125 0.000 0.000) 0.125 27.141 ( -7.849 0.000 0.000) 7.849 27.183 ( 2.840 0.000 0.000) 2.840 27.288 ( -2.270 0.000 0.000) 2.270 27.410 ( 6.252 0.000 0.000) 6.252 27.416 ( -11.228 0.000 0.000) 11.228 27.560 ( 4.340 0.000 0.000) 4.340 27.612 ( -8.314 0.000 0.000) 8.314 27.807 ( 3.076 0.000 0.000) 3.076 27.811 ( -11.545 0.000 0.000) 11.545 27.849 ( -2.840 0.000 0.000) 2.840 27.988 ( -8.397 0.000 0.000) 8.397 28.405 ( 9.118 0.000 0.000) 9.118 28.522 ( 2.740 0.000 0.000) 2.740 28.537 ( 3.623 0.000 0.000) 3.623 28.831 ( -8.927 0.000 0.000) 8.927 28.943 ( 7.588 0.000 0.000) 7.588 29.198 ( 6.503 0.000 0.000) 6.503 29.451 ( 1.139 0.000 0.000) 1.139 29.594 ( -1.078 0.000 0.000) 1.078 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 17.003 0.000 0.000) 17.003 1.023 ( 15.413 0.000 0.000) 15.413 1.121 ( 28.454 0.000 0.000) 28.454 1.206 ( -6.071 0.000 0.000) 6.071 1.695 ( -16.103 0.000 0.000) 16.103 1.845 ( 28.109 0.000 0.000) 28.109 2.077 ( 15.917 0.000 0.000) 15.917 2.224 ( -12.765 0.000 0.000) 12.765 2.342 ( 4.403 0.000 0.000) 4.403 2.414 ( 10.973 0.000 0.000) 10.973 2.434 ( -0.995 0.000 0.000) 0.995 2.496 ( 2.844 0.000 0.000) 2.844 2.564 ( -4.435 0.000 0.000) 4.435 2.583 ( -1.136 0.000 0.000) 1.136 2.820 ( 5.897 0.000 0.000) 5.897 2.849 ( -3.388 0.000 0.000) 3.388 2.861 ( -8.674 0.000 0.000) 8.674 2.971 ( -4.861 0.000 0.000) 4.861 3.095 ( 5.543 0.000 0.000) 5.543 3.103 ( 1.801 0.000 0.000) 1.801 3.194 ( 7.795 0.000 0.000) 7.795 3.214 ( -3.773 0.000 0.000) 3.773 3.296 ( 2.431 0.000 0.000) 2.431 3.384 ( -0.494 0.000 0.000) 0.494 3.404 ( -5.768 0.000 0.000) 5.768 3.552 ( -0.574 0.000 0.000) 0.574 3.562 ( -10.054 0.000 0.000) 10.054 3.668 ( 2.095 0.000 0.000) 2.095 3.740 ( 0.956 0.000 0.000) 0.956 3.747 ( 5.756 0.000 0.000) 5.756 3.783 ( 8.604 0.000 0.000) 8.604 3.826 ( -7.016 0.000 0.000) 7.016 3.991 ( -1.526 0.000 0.000) 1.526 3.994 ( -7.834 0.000 0.000) 7.834 4.024 ( 0.758 0.000 0.000) 0.758 4.025 ( -3.588 0.000 0.000) 3.588 4.091 ( 9.947 0.000 0.000) 9.947 4.154 ( -7.747 0.000 0.000) 7.747 4.384 ( 9.666 0.000 0.000) 9.666 4.395 ( -0.781 0.000 0.000) 0.781 4.408 ( -9.421 0.000 0.000) 9.421 4.451 ( 7.040 0.000 0.000) 7.040 4.527 ( 3.715 0.000 0.000) 3.715 4.548 ( -0.292 0.000 0.000) 0.292 4.648 ( -1.438 0.000 0.000) 1.438 4.706 ( 3.205 0.000 0.000) 3.205 4.775 ( 13.771 0.000 0.000) 13.771 4.843 ( -0.516 0.000 0.000) 0.516 4.867 ( 2.509 0.000 0.000) 2.509 4.990 ( -4.015 0.000 0.000) 4.015 5.132 ( 7.508 0.000 0.000) 7.508 5.137 ( 1.675 0.000 0.000) 1.675 5.145 ( 5.841 0.000 0.000) 5.841 5.216 ( -6.885 0.000 0.000) 6.885 5.248 ( 5.196 0.000 0.000) 5.196 5.287 ( 5.927 0.000 0.000) 5.927 5.428 ( -16.577 0.000 0.000) 16.577 5.452 ( -4.412 0.000 0.000) 4.412 5.537 ( 0.893 0.000 0.000) 0.893 5.584 ( -0.738 0.000 0.000) 0.738 5.639 ( -4.130 0.000 0.000) 4.130 5.765 ( -8.118 0.000 0.000) 8.118 5.787 ( 4.834 0.000 0.000) 4.834 5.819 ( -4.106 0.000 0.000) 4.106 5.848 ( -3.443 0.000 0.000) 3.443 5.848 ( -1.023 0.000 0.000) 1.023 5.854 ( -8.194 0.000 0.000) 8.194 5.882 ( 2.692 0.000 0.000) 2.692 5.928 ( -8.970 0.000 0.000) 8.970 5.931 ( -5.114 0.000 0.000) 5.114 6.067 ( -1.596 0.000 0.000) 1.596 6.125 ( 2.642 0.000 0.000) 2.642 6.163 ( 6.422 0.000 0.000) 6.422 6.344 ( -3.414 0.000 0.000) 3.414 6.391 ( 5.166 0.000 0.000) 5.166 6.420 ( -7.400 0.000 0.000) 7.400 6.431 ( -6.804 0.000 0.000) 6.804 6.498 ( -6.051 0.000 0.000) 6.051 6.601 ( 1.234 0.000 0.000) 1.234 6.656 ( -2.297 0.000 0.000) 2.297 6.659 ( -3.186 0.000 0.000) 3.186 6.676 ( -1.400 0.000 0.000) 1.400 6.699 ( -1.248 0.000 0.000) 1.248 6.702 ( -5.262 0.000 0.000) 5.262 6.756 ( -0.606 0.000 0.000) 0.606 6.793 ( 0.774 0.000 0.000) 0.774 6.841 ( 3.195 0.000 0.000) 3.195 6.857 ( -3.156 0.000 0.000) 3.156 6.872 ( -9.210 0.000 0.000) 9.210 6.880 ( -3.815 0.000 0.000) 3.815 7.018 ( -0.956 0.000 0.000) 0.956 7.052 ( -1.514 0.000 0.000) 1.514 7.068 ( 0.325 0.000 0.000) 0.325 7.125 ( -3.631 0.000 0.000) 3.631 7.146 ( 3.968 0.000 0.000) 3.968 7.231 ( 3.041 0.000 0.000) 3.041 7.275 ( -0.613 0.000 0.000) 0.613 7.418 ( -2.682 0.000 0.000) 2.682 7.419 ( 4.126 0.000 0.000) 4.126 7.457 ( 5.992 0.000 0.000) 5.992 7.531 ( -1.911 0.000 0.000) 1.911 7.747 ( 3.916 0.000 0.000) 3.916 7.769 ( 2.551 0.000 0.000) 2.551 7.852 ( -3.439 0.000 0.000) 3.439 7.901 ( 7.970 0.000 0.000) 7.970 7.963 ( -1.641 0.000 0.000) 1.641 7.969 ( 3.422 0.000 0.000) 3.422 7.990 ( 9.673 0.000 0.000) 9.673 8.041 ( 3.073 0.000 0.000) 3.073 8.080 ( 5.223 0.000 0.000) 5.223 8.117 ( 3.228 0.000 0.000) 3.228 8.130 ( -0.768 0.000 0.000) 0.768 8.157 ( 2.122 0.000 0.000) 2.122 8.282 ( -0.703 0.000 0.000) 0.703 8.342 ( -5.975 0.000 0.000) 5.975 8.432 ( -7.518 0.000 0.000) 7.518 8.552 ( 2.184 0.000 0.000) 2.184 8.597 ( -1.741 0.000 0.000) 1.741 8.974 ( 20.177 0.000 0.000) 20.177 9.583 ( -10.377 0.000 0.000) 10.377 15.034 ( 0.249 0.000 0.000) 0.249 15.046 ( 0.841 0.000 0.000) 0.841 15.047 ( -0.471 0.000 0.000) 0.471 15.056 ( 0.305 0.000 0.000) 0.305 15.080 ( -0.869 0.000 0.000) 0.869 15.081 ( -0.609 0.000 0.000) 0.609 15.177 ( 1.070 0.000 0.000) 1.070 15.205 ( -0.118 0.000 0.000) 0.118 15.236 ( 0.430 0.000 0.000) 0.430 15.253 ( -0.585 0.000 0.000) 0.585 15.281 ( 0.526 0.000 0.000) 0.526 15.315 ( -0.493 0.000 0.000) 0.493 15.325 ( -1.383 0.000 0.000) 1.383 15.331 ( -0.897 0.000 0.000) 0.897 15.372 ( 2.396 0.000 0.000) 2.396 15.478 ( -2.632 0.000 0.000) 2.632 18.745 ( 1.501 0.000 0.000) 1.501 18.785 ( 1.480 0.000 0.000) 1.480 18.809 ( -1.602 0.000 0.000) 1.602 18.816 ( -0.215 0.000 0.000) 0.215 18.845 ( 1.850 0.000 0.000) 1.850 18.899 ( -0.706 0.000 0.000) 0.706 18.928 ( 1.225 0.000 0.000) 1.225 18.982 ( -1.225 0.000 0.000) 1.225 19.104 ( 0.387 0.000 0.000) 0.387 19.122 ( -0.418 0.000 0.000) 0.418 19.198 ( 0.394 0.000 0.000) 0.394 19.215 ( 1.697 0.000 0.000) 1.697 19.232 ( -0.555 0.000 0.000) 0.555 19.271 ( 1.535 0.000 0.000) 1.535 19.273 ( -0.970 0.000 0.000) 0.970 19.288 ( 0.515 0.000 0.000) 0.515 19.314 ( 0.361 0.000 0.000) 0.361 19.343 ( -1.742 0.000 0.000) 1.742 19.362 ( -0.683 0.000 0.000) 0.683 19.368 ( -0.199 0.000 0.000) 0.199 19.482 ( 2.080 0.000 0.000) 2.080 19.514 ( 1.043 0.000 0.000) 1.043 19.549 ( -0.587 0.000 0.000) 0.587 19.580 ( -2.413 0.000 0.000) 2.413 25.495 ( 0.076 0.000 0.000) 0.076 25.500 ( 0.058 0.000 0.000) 0.058 25.504 ( -0.082 0.000 0.000) 0.082 25.505 ( 0.147 0.000 0.000) 0.147 25.508 ( -0.145 0.000 0.000) 0.145 25.510 ( -0.138 0.000 0.000) 0.138 25.522 ( 0.354 0.000 0.000) 0.354 25.531 ( -0.021 0.000 0.000) 0.021 26.828 ( 9.225 0.000 0.000) 9.225 26.846 ( 0.273 0.000 0.000) 0.273 26.921 ( 3.184 0.000 0.000) 3.184 26.996 ( -5.918 0.000 0.000) 5.918 27.017 ( 6.991 0.000 0.000) 6.991 27.126 ( 1.765 0.000 0.000) 1.765 27.175 ( -9.338 0.000 0.000) 9.338 27.203 ( -2.749 0.000 0.000) 2.749 27.264 ( -3.651 0.000 0.000) 3.651 27.409 ( -10.402 0.000 0.000) 10.402 27.563 ( 7.687 0.000 0.000) 7.687 27.610 ( -6.691 0.000 0.000) 6.691 27.615 ( 0.561 0.000 0.000) 0.561 27.783 ( -2.846 0.000 0.000) 2.846 27.807 ( -2.923 0.000 0.000) 2.923 27.849 ( -5.633 0.000 0.000) 5.633 28.548 ( 5.580 0.000 0.000) 5.580 28.583 ( 3.000 0.000 0.000) 3.000 28.602 ( 2.464 0.000 0.000) 2.464 28.699 ( -4.715 0.000 0.000) 4.715 29.101 ( 7.927 0.000 0.000) 7.927 29.268 ( 0.629 0.000 0.000) 0.629 29.482 ( 1.970 0.000 0.000) 1.970 29.564 ( -1.892 0.000 0.000) 1.892 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -8.941 0.000 0.000) 8.941 1.071 ( 8.941 0.000 0.000) 8.941 1.358 ( -18.206 0.000 0.000) 18.206 1.358 ( 18.206 0.000 0.000) 18.206 1.655 ( -26.151 0.000 0.000) 26.151 1.655 ( 26.151 0.000 0.000) 26.151 2.334 ( -2.983 0.000 0.000) 2.983 2.334 ( 2.983 0.000 0.000) 2.983 2.413 ( -2.485 0.000 0.000) 2.485 2.413 ( 2.485 0.000 0.000) 2.485 2.502 ( -0.506 0.000 0.000) 0.506 2.502 ( 0.506 0.000 0.000) 0.506 2.503 ( -4.596 0.000 0.000) 4.596 2.503 ( 4.596 0.000 0.000) 4.596 2.777 ( -2.075 0.000 0.000) 2.075 2.777 ( 2.075 0.000 0.000) 2.075 2.913 ( -3.227 0.000 0.000) 3.227 2.913 ( 3.227 0.000 0.000) 3.227 3.154 ( -3.162 0.000 0.000) 3.162 3.154 ( 3.162 0.000 0.000) 3.162 3.240 ( -4.109 0.000 0.000) 4.109 3.240 ( 4.109 0.000 0.000) 4.109 3.357 ( -2.946 0.000 0.000) 2.946 3.357 ( 2.946 0.000 0.000) 2.946 3.393 ( -5.425 0.000 0.000) 5.425 3.393 ( 5.425 0.000 0.000) 5.425 3.627 ( -7.908 0.000 0.000) 7.908 3.627 ( 7.908 0.000 0.000) 7.908 3.760 ( -0.467 0.000 0.000) 0.467 3.760 ( 0.467 0.000 0.000) 0.467 3.868 ( -4.820 0.000 0.000) 4.820 3.868 ( 4.820 0.000 0.000) 4.820 3.888 ( -1.378 0.000 0.000) 1.378 3.888 ( 1.378 0.000 0.000) 1.378 3.995 ( -6.575 0.000 0.000) 6.575 3.995 ( 6.575 0.000 0.000) 6.575 4.184 ( -11.235 0.000 0.000) 11.235 4.184 ( 11.235 0.000 0.000) 11.235 4.289 ( -8.966 0.000 0.000) 8.966 4.289 ( 8.966 0.000 0.000) 8.966 4.553 ( -5.625 0.000 0.000) 5.625 4.553 ( 5.625 0.000 0.000) 5.625 4.561 ( -1.945 0.000 0.000) 1.945 4.561 ( 1.945 0.000 0.000) 1.945 4.617 ( -8.649 0.000 0.000) 8.649 4.617 ( 8.649 0.000 0.000) 8.649 4.892 ( -4.980 0.000 0.000) 4.980 4.892 ( 4.980 0.000 0.000) 4.980 5.014 ( -9.069 0.000 0.000) 9.069 5.014 ( 9.069 0.000 0.000) 9.069 5.088 ( -17.323 0.000 0.000) 17.323 5.088 ( 17.323 0.000 0.000) 17.323 5.228 ( -4.326 0.000 0.000) 4.326 5.228 ( 4.326 0.000 0.000) 4.326 5.274 ( -6.716 0.000 0.000) 6.716 5.274 ( 6.716 0.000 0.000) 6.716 5.373 ( -6.006 0.000 0.000) 6.006 5.373 ( 6.006 0.000 0.000) 6.006 5.550 ( -0.600 0.000 0.000) 0.600 5.550 ( 0.600 0.000 0.000) 0.600 5.585 ( -8.240 0.000 0.000) 8.240 5.585 ( 8.240 0.000 0.000) 8.240 5.793 ( -1.328 0.000 0.000) 1.328 5.793 ( 1.328 0.000 0.000) 1.328 5.808 ( -3.092 0.000 0.000) 3.092 5.808 ( 3.092 0.000 0.000) 3.092 5.833 ( -1.405 0.000 0.000) 1.405 5.833 ( 1.405 0.000 0.000) 1.405 5.913 ( -0.530 0.000 0.000) 0.530 5.913 ( 0.530 0.000 0.000) 0.530 6.124 ( -4.758 0.000 0.000) 4.758 6.124 ( 4.758 0.000 0.000) 4.758 6.297 ( -5.995 0.000 0.000) 5.995 6.297 ( 5.995 0.000 0.000) 5.995 6.329 ( -0.519 0.000 0.000) 0.519 6.329 ( 0.519 0.000 0.000) 0.519 6.452 ( -0.975 0.000 0.000) 0.975 6.452 ( 0.975 0.000 0.000) 0.975 6.610 ( -1.592 0.000 0.000) 1.592 6.610 ( 1.592 0.000 0.000) 1.592 6.619 ( -0.383 0.000 0.000) 0.383 6.619 ( 0.383 0.000 0.000) 0.383 6.676 ( -2.060 0.000 0.000) 2.060 6.676 ( 2.060 0.000 0.000) 2.060 6.757 ( -1.274 0.000 0.000) 1.274 6.757 ( 1.274 0.000 0.000) 1.274 6.828 ( -1.432 0.000 0.000) 1.432 6.828 ( 1.432 0.000 0.000) 1.432 6.856 ( -1.377 0.000 0.000) 1.377 6.856 ( 1.377 0.000 0.000) 1.377 7.014 ( -1.053 0.000 0.000) 1.053 7.014 ( 1.053 0.000 0.000) 1.053 7.084 ( -1.318 0.000 0.000) 1.318 7.084 ( 1.318 0.000 0.000) 1.318 7.220 ( -2.817 0.000 0.000) 2.817 7.220 ( 2.817 0.000 0.000) 2.817 7.331 ( -4.640 0.000 0.000) 4.640 7.331 ( 4.640 0.000 0.000) 4.640 7.484 ( -2.821 0.000 0.000) 2.821 7.484 ( 2.821 0.000 0.000) 2.821 7.647 ( -11.900 0.000 0.000) 11.900 7.647 ( 11.900 0.000 0.000) 11.900 7.792 ( -0.379 0.000 0.000) 0.379 7.792 ( 0.379 0.000 0.000) 0.379 7.984 ( -0.681 0.000 0.000) 0.681 7.984 ( 0.681 0.000 0.000) 0.681 8.045 ( -3.500 0.000 0.000) 3.500 8.045 ( 3.500 0.000 0.000) 3.500 8.090 ( -1.500 0.000 0.000) 1.500 8.090 ( 1.500 0.000 0.000) 1.500 8.169 ( -2.734 0.000 0.000) 2.734 8.169 ( 2.734 0.000 0.000) 2.734 8.259 ( -0.985 0.000 0.000) 0.985 8.259 ( 0.985 0.000 0.000) 0.985 8.272 ( -8.907 0.000 0.000) 8.907 8.272 ( 8.907 0.000 0.000) 8.907 8.576 ( -0.701 0.000 0.000) 0.701 8.576 ( 0.701 0.000 0.000) 0.701 9.328 ( -15.929 0.000 0.000) 15.929 9.328 ( 15.929 0.000 0.000) 15.929 15.039 ( -0.332 0.000 0.000) 0.332 15.039 ( 0.332 0.000 0.000) 0.332 15.064 ( -1.009 0.000 0.000) 1.009 15.064 ( 1.009 0.000 0.000) 1.009 15.065 ( -0.618 0.000 0.000) 0.618 15.065 ( 0.618 0.000 0.000) 0.618 15.196 ( -0.806 0.000 0.000) 0.806 15.196 ( 0.806 0.000 0.000) 0.806 15.244 ( -0.420 0.000 0.000) 0.420 15.244 ( 0.420 0.000 0.000) 0.420 15.298 ( -1.251 0.000 0.000) 1.251 15.298 ( 1.251 0.000 0.000) 1.251 15.315 ( -0.550 0.000 0.000) 0.550 15.315 ( 0.550 0.000 0.000) 0.550 15.424 ( -2.883 0.000 0.000) 2.883 15.424 ( 2.883 0.000 0.000) 2.883 18.776 ( -1.727 0.000 0.000) 1.727 18.776 ( 1.727 0.000 0.000) 1.727 18.807 ( -0.750 0.000 0.000) 0.750 18.807 ( 0.750 0.000 0.000) 0.750 18.878 ( -1.461 0.000 0.000) 1.461 18.878 ( 1.461 0.000 0.000) 1.461 18.955 ( -1.492 0.000 0.000) 1.492 18.955 ( 1.492 0.000 0.000) 1.492 19.113 ( -0.508 0.000 0.000) 0.508 19.113 ( 0.508 0.000 0.000) 0.508 19.215 ( -1.119 0.000 0.000) 1.119 19.215 ( 1.119 0.000 0.000) 1.119 19.247 ( -1.534 0.000 0.000) 1.534 19.247 ( 1.534 0.000 0.000) 1.534 19.304 ( -1.053 0.000 0.000) 1.053 19.304 ( 1.053 0.000 0.000) 1.053 19.306 ( -1.946 0.000 0.000) 1.946 19.306 ( 1.946 0.000 0.000) 1.946 19.360 ( -0.391 0.000 0.000) 0.391 19.360 ( 0.391 0.000 0.000) 0.391 19.529 ( -2.689 0.000 0.000) 2.689 19.529 ( 2.689 0.000 0.000) 2.689 19.534 ( -0.945 0.000 0.000) 0.945 19.534 ( 0.945 0.000 0.000) 0.945 25.498 ( -0.167 0.000 0.000) 0.167 25.498 ( 0.167 0.000 0.000) 0.167 25.505 ( -0.147 0.000 0.000) 0.147 25.505 ( 0.147 0.000 0.000) 0.147 25.508 ( -0.135 0.000 0.000) 0.135 25.508 ( 0.135 0.000 0.000) 0.135 25.528 ( -0.254 0.000 0.000) 0.254 25.528 ( 0.254 0.000 0.000) 0.254 26.876 ( -2.758 0.000 0.000) 2.758 26.876 ( 2.758 0.000 0.000) 2.758 27.013 ( -6.499 0.000 0.000) 6.499 27.013 ( 6.499 0.000 0.000) 6.499 27.059 ( -10.143 0.000 0.000) 10.143 27.059 ( 10.143 0.000 0.000) 10.143 27.149 ( -2.557 0.000 0.000) 2.557 27.149 ( 2.557 0.000 0.000) 2.557 27.235 ( -4.088 0.000 0.000) 4.088 27.235 ( 4.088 0.000 0.000) 4.088 27.583 ( -2.261 0.000 0.000) 2.261 27.583 ( 2.261 0.000 0.000) 2.261 27.709 ( -6.751 0.000 0.000) 6.751 27.709 ( 6.751 0.000 0.000) 6.751 27.776 ( -1.922 0.000 0.000) 1.922 27.776 ( 1.922 0.000 0.000) 1.922 28.621 ( -0.594 0.000 0.000) 0.594 28.621 ( 0.594 0.000 0.000) 0.594 28.629 ( -3.289 0.000 0.000) 3.289 28.629 ( 3.289 0.000 0.000) 3.289 29.227 ( -4.641 0.000 0.000) 4.641 29.227 ( 4.641 0.000 0.000) 4.641 29.524 ( -2.237 0.000 0.000) 2.237 29.524 ( 2.237 0.000 0.000) 2.237 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 0.000 22.793 0.000) 22.793 0.741 ( 0.000 35.874 0.000) 35.874 0.883 ( 0.000 31.419 0.000) 31.419 1.418 ( 0.000 2.669 0.000) 2.669 1.471 ( 0.000 9.788 0.000) 9.788 1.767 ( 0.000 5.598 0.000) 5.598 2.084 ( 0.000 -11.154 0.000) 11.154 2.090 ( 0.000 15.386 0.000) 15.386 2.207 ( 0.000 1.018 0.000) 1.018 2.334 ( 0.000 20.017 0.000) 20.017 2.378 ( 0.000 -10.168 0.000) 10.168 2.573 ( 0.000 -8.039 0.000) 8.039 2.635 ( 0.000 -2.510 0.000) 2.510 2.637 ( 0.000 -6.991 0.000) 6.991 2.838 ( 0.000 -23.130 0.000) 23.130 2.865 ( 0.000 -4.818 0.000) 4.818 2.882 ( 0.000 -8.262 0.000) 8.262 3.047 ( 0.000 13.683 0.000) 13.683 3.064 ( 0.000 4.655 0.000) 4.655 3.091 ( 0.000 -4.575 0.000) 4.575 3.255 ( 0.000 0.113 0.000) 0.113 3.262 ( 0.000 1.340 0.000) 1.340 3.370 ( 0.000 -2.274 0.000) 2.274 3.408 ( 0.000 5.539 0.000) 5.539 3.545 ( 0.000 1.093 0.000) 1.093 3.580 ( 0.000 -3.059 0.000) 3.059 3.596 ( 0.000 5.185 0.000) 5.185 3.665 ( 0.000 3.175 0.000) 3.175 3.764 ( 0.000 4.442 0.000) 4.442 3.775 ( 0.000 -0.135 0.000) 0.135 3.788 ( 0.000 8.165 0.000) 8.165 3.869 ( 0.000 0.691 0.000) 0.691 3.891 ( 0.000 -0.574 0.000) 0.574 3.926 ( 0.000 -0.407 0.000) 0.407 3.983 ( 0.000 -4.827 0.000) 4.827 4.063 ( 0.000 0.877 0.000) 0.877 4.127 ( 0.000 -10.518 0.000) 10.518 4.207 ( 0.000 -2.193 0.000) 2.193 4.215 ( 0.000 7.143 0.000) 7.143 4.239 ( 0.000 5.023 0.000) 5.023 4.428 ( 0.000 -1.074 0.000) 1.074 4.465 ( 0.000 10.294 0.000) 10.294 4.509 ( 0.000 4.879 0.000) 4.879 4.527 ( 0.000 4.991 0.000) 4.991 4.658 ( 0.000 0.263 0.000) 0.263 4.667 ( 0.000 3.091 0.000) 3.091 4.739 ( 0.000 -7.378 0.000) 7.378 4.774 ( 0.000 -6.240 0.000) 6.240 4.845 ( 0.000 0.477 0.000) 0.477 4.897 ( 0.000 -10.453 0.000) 10.453 5.060 ( 0.000 -6.321 0.000) 6.321 5.115 ( 0.000 9.176 0.000) 9.176 5.157 ( 0.000 -2.832 0.000) 2.832 5.248 ( 0.000 9.929 0.000) 9.929 5.281 ( 0.000 -5.380 0.000) 5.380 5.331 ( 0.000 -2.896 0.000) 2.896 5.334 ( 0.000 5.027 0.000) 5.027 5.487 ( 0.000 -1.993 0.000) 1.993 5.503 ( 0.000 -4.890 0.000) 4.890 5.605 ( 0.000 -1.303 0.000) 1.303 5.698 ( 0.000 8.833 0.000) 8.833 5.728 ( 0.000 0.892 0.000) 0.892 5.795 ( 0.000 -6.027 0.000) 6.027 5.834 ( 0.000 -3.425 0.000) 3.425 5.934 ( 0.000 -1.927 0.000) 1.927 5.974 ( 0.000 2.534 0.000) 2.534 5.994 ( 0.000 0.001 0.000) 0.001 6.013 ( 0.000 -3.636 0.000) 3.636 6.039 ( 0.000 -0.443 0.000) 0.443 6.122 ( 0.000 -0.713 0.000) 0.713 6.213 ( 0.000 -2.905 0.000) 2.905 6.227 ( 0.000 -0.292 0.000) 0.292 6.324 ( 0.000 0.114 0.000) 0.114 6.331 ( 0.000 -7.200 0.000) 7.200 6.402 ( 0.000 -1.092 0.000) 1.092 6.521 ( 0.000 -3.855 0.000) 3.855 6.565 ( 0.000 -1.260 0.000) 1.260 6.601 ( 0.000 -1.139 0.000) 1.139 6.645 ( 0.000 0.241 0.000) 0.241 6.676 ( 0.000 1.558 0.000) 1.558 6.712 ( 0.000 3.499 0.000) 3.499 6.732 ( 0.000 -1.940 0.000) 1.940 6.758 ( 0.000 0.350 0.000) 0.350 6.821 ( 0.000 4.171 0.000) 4.171 6.856 ( 0.000 6.452 0.000) 6.452 6.886 ( 0.000 1.515 0.000) 1.515 6.920 ( 0.000 0.446 0.000) 0.446 6.942 ( 0.000 -2.172 0.000) 2.172 6.950 ( 0.000 0.702 0.000) 0.702 7.042 ( 0.000 -1.074 0.000) 1.074 7.058 ( 0.000 2.568 0.000) 2.568 7.126 ( 0.000 -1.008 0.000) 1.008 7.159 ( 0.000 -2.095 0.000) 2.095 7.179 ( 0.000 -3.118 0.000) 3.118 7.247 ( 0.000 1.145 0.000) 1.145 7.274 ( 0.000 -4.604 0.000) 4.604 7.319 ( 0.000 0.733 0.000) 0.733 7.335 ( 0.000 2.192 0.000) 2.192 7.382 ( 0.000 0.140 0.000) 0.140 7.386 ( 0.000 3.294 0.000) 3.294 7.455 ( 0.000 -3.004 0.000) 3.004 7.540 ( 0.000 -3.512 0.000) 3.512 7.581 ( 0.000 -7.153 0.000) 7.153 7.604 ( 0.000 1.508 0.000) 1.508 7.652 ( 0.000 -1.445 0.000) 1.445 7.669 ( 0.000 2.201 0.000) 2.201 7.872 ( 0.000 -1.596 0.000) 1.596 7.880 ( 0.000 0.030 0.000) 0.030 7.901 ( 0.000 2.633 0.000) 2.633 7.910 ( 0.000 6.517 0.000) 6.517 8.137 ( 0.000 -3.228 0.000) 3.228 8.149 ( 0.000 0.111 0.000) 0.111 8.167 ( 0.000 4.976 0.000) 4.976 8.329 ( 0.000 4.369 0.000) 4.369 8.406 ( 0.000 -6.138 0.000) 6.138 8.428 ( 0.000 -0.021 0.000) 0.021 8.471 ( 0.000 -0.545 0.000) 0.545 8.527 ( 0.000 -4.703 0.000) 4.703 8.883 ( 0.000 13.783 0.000) 13.783 9.586 ( 0.000 -5.857 0.000) 5.857 15.032 ( 0.000 0.570 0.000) 0.570 15.034 ( 0.000 0.123 0.000) 0.123 15.056 ( 0.000 0.520 0.000) 0.520 15.061 ( 0.000 -0.172 0.000) 0.172 15.071 ( 0.000 -0.735 0.000) 0.735 15.128 ( 0.000 1.268 0.000) 1.268 15.152 ( 0.000 0.267 0.000) 0.267 15.180 ( 0.000 -1.757 0.000) 1.757 15.237 ( 0.000 0.886 0.000) 0.886 15.272 ( 0.000 0.255 0.000) 0.255 15.285 ( 0.000 0.376 0.000) 0.376 15.315 ( 0.000 -0.490 0.000) 0.490 15.325 ( 0.000 -0.984 0.000) 0.984 15.341 ( 0.000 -1.136 0.000) 1.136 15.364 ( 0.000 0.757 0.000) 0.757 15.506 ( 0.000 -2.630 0.000) 2.630 18.713 ( 0.000 0.178 0.000) 0.178 18.737 ( 0.000 -0.517 0.000) 0.517 18.823 ( 0.000 0.423 0.000) 0.423 18.843 ( 0.000 -0.070 0.000) 0.070 18.859 ( 0.000 1.231 0.000) 1.231 18.880 ( 0.000 -0.912 0.000) 0.912 18.899 ( 0.000 -0.861 0.000) 0.861 18.987 ( 0.000 -1.812 0.000) 1.812 19.074 ( 0.000 0.373 0.000) 0.373 19.107 ( 0.000 0.767 0.000) 0.767 19.141 ( 0.000 -2.179 0.000) 2.179 19.196 ( 0.000 -1.881 0.000) 1.881 19.218 ( 0.000 0.766 0.000) 0.766 19.265 ( 0.000 -1.791 0.000) 1.791 19.271 ( 0.000 -0.599 0.000) 0.599 19.287 ( 0.000 1.743 0.000) 1.743 19.321 ( 0.000 2.027 0.000) 2.027 19.350 ( 0.000 -0.621 0.000) 0.621 19.351 ( 0.000 -2.347 0.000) 2.347 19.357 ( 0.000 0.600 0.000) 0.600 19.481 ( 0.000 2.536 0.000) 2.536 19.550 ( 0.000 1.657 0.000) 1.657 19.560 ( 0.000 0.049 0.000) 0.049 19.627 ( 0.000 -0.439 0.000) 0.439 25.495 ( 0.000 -0.056 0.000) 0.056 25.495 ( 0.000 -0.227 0.000) 0.227 25.500 ( 0.000 0.234 0.000) 0.234 25.506 ( 0.000 -0.351 0.000) 0.351 25.510 ( 0.000 0.329 0.000) 0.329 25.512 ( 0.000 -0.150 0.000) 0.150 25.512 ( 0.000 -0.149 0.000) 0.149 25.526 ( 0.000 -0.641 0.000) 0.641 26.821 ( 0.000 -0.485 0.000) 0.485 26.837 ( 0.000 -0.706 0.000) 0.706 26.964 ( 0.000 -6.217 0.000) 6.217 27.008 ( 0.000 -3.125 0.000) 3.125 27.051 ( 0.000 12.290 0.000) 12.290 27.117 ( 0.000 8.913 0.000) 8.913 27.356 ( 0.000 10.911 0.000) 10.911 27.412 ( 0.000 6.634 0.000) 6.634 27.413 ( 0.000 10.048 0.000) 10.048 27.495 ( 0.000 -0.803 0.000) 0.803 27.585 ( 0.000 0.848 0.000) 0.848 27.690 ( 0.000 -0.776 0.000) 0.776 27.799 ( 0.000 -5.474 0.000) 5.474 27.890 ( 0.000 -5.403 0.000) 5.403 28.042 ( 0.000 -8.410 0.000) 8.410 28.129 ( 0.000 7.724 0.000) 7.724 28.367 ( 0.000 10.449 0.000) 10.449 28.398 ( 0.000 -9.876 0.000) 9.876 28.484 ( 0.000 -0.707 0.000) 0.707 28.799 ( 0.000 -4.984 0.000) 4.984 28.878 ( 0.000 -7.259 0.000) 7.259 29.090 ( 0.000 3.131 0.000) 3.131 29.281 ( 0.000 -2.379 0.000) 2.379 29.334 ( 0.000 -9.818 0.000) 9.818 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 16.831 27.807 0.000) 32.504 1.008 ( 19.145 29.347 0.000) 35.040 1.129 ( 32.313 12.594 0.000) 34.681 1.353 ( -3.593 24.242 0.000) 24.507 1.374 ( -3.667 4.817 0.000) 6.054 1.813 ( 4.665 4.359 0.000) 6.384 2.094 ( -0.612 -11.058 0.000) 11.075 2.151 ( 10.232 8.687 0.000) 13.423 2.247 ( -4.504 14.612 0.000) 15.291 2.319 ( 8.288 1.483 0.000) 8.420 2.343 ( -3.694 -9.183 0.000) 9.898 2.573 ( -4.768 -5.956 0.000) 7.629 2.610 ( 2.907 -3.633 0.000) 4.653 2.625 ( -2.560 -0.487 0.000) 2.606 2.761 ( -4.347 4.211 0.000) 6.052 2.844 ( 0.897 -17.959 0.000) 17.981 2.868 ( -9.614 -3.082 0.000) 10.096 2.957 ( 6.182 -8.849 0.000) 10.795 3.037 ( -0.885 9.814 0.000) 9.854 3.104 ( -3.850 -2.588 0.000) 4.638 3.184 ( -6.432 -0.283 0.000) 6.438 3.249 ( -0.284 6.656 0.000) 6.662 3.344 ( -2.035 1.146 0.000) 2.336 3.442 ( 1.509 4.130 0.000) 4.397 3.602 ( 2.138 -3.542 0.000) 4.137 3.613 ( -1.368 1.598 0.000) 2.104 3.636 ( -0.277 1.132 0.000) 1.166 3.666 ( 3.682 0.238 0.000) 3.689 3.695 ( -4.443 7.363 0.000) 8.600 3.714 ( -4.961 0.034 0.000) 4.961 3.769 ( 0.406 7.928 0.000) 7.939 3.862 ( 2.085 -2.249 0.000) 3.067 3.900 ( 2.904 -2.174 0.000) 3.628 3.951 ( 3.705 -0.747 0.000) 3.779 4.060 ( -1.356 -3.002 0.000) 3.295 4.066 ( -5.678 -9.308 0.000) 10.903 4.154 ( -3.360 5.735 0.000) 6.647 4.163 ( 8.083 0.451 0.000) 8.096 4.256 ( 0.223 4.406 0.000) 4.411 4.309 ( 2.036 -0.349 0.000) 2.065 4.330 ( 3.239 -0.280 0.000) 3.251 4.535 ( 2.457 -2.279 0.000) 3.351 4.543 ( 0.817 6.402 0.000) 6.454 4.608 ( -3.701 5.617 0.000) 6.727 4.632 ( 4.227 2.887 0.000) 5.118 4.639 ( 7.480 6.543 0.000) 9.938 4.663 ( -5.010 -3.575 0.000) 6.154 4.796 ( -0.403 -5.334 0.000) 5.349 4.911 ( 6.062 0.314 0.000) 6.070 4.917 ( 3.254 -9.324 0.000) 9.876 5.056 ( -3.912 7.325 0.000) 8.304 5.077 ( 1.068 -5.794 0.000) 5.891 5.165 ( 1.725 -1.805 0.000) 2.497 5.241 ( -1.607 7.296 0.000) 7.471 5.306 ( 0.638 -2.370 0.000) 2.455 5.318 ( -3.399 9.170 0.000) 9.779 5.384 ( 4.775 -3.110 0.000) 5.698 5.511 ( -0.113 -2.835 0.000) 2.837 5.535 ( 1.107 -4.078 0.000) 4.226 5.568 ( 0.260 1.072 0.000) 1.103 5.626 ( -1.939 2.289 0.000) 3.000 5.675 ( 1.257 -0.926 0.000) 1.561 5.833 ( -3.848 -5.314 0.000) 6.561 5.859 ( 0.411 1.940 0.000) 1.983 5.874 ( -3.107 -7.079 0.000) 7.731 5.927 ( -5.645 0.112 0.000) 5.646 5.956 ( -5.945 1.040 0.000) 6.035 5.983 ( -1.618 0.802 0.000) 1.806 6.050 ( 0.773 -2.525 0.000) 2.641 6.092 ( -2.974 0.139 0.000) 2.977 6.115 ( -3.854 1.774 0.000) 4.242 6.148 ( -8.973 0.477 0.000) 8.986 6.182 ( -9.904 -0.493 0.000) 9.917 6.283 ( 2.088 -0.301 0.000) 2.110 6.423 ( -1.538 -5.544 0.000) 5.753 6.497 ( -8.934 -3.813 0.000) 9.714 6.539 ( -2.963 -2.378 0.000) 3.800 6.551 ( -2.961 -0.485 0.000) 3.000 6.580 ( -3.120 -2.230 0.000) 3.835 6.618 ( -9.358 -3.472 0.000) 9.981 6.668 ( -0.364 2.065 0.000) 2.097 6.764 ( -0.240 0.219 0.000) 0.325 6.767 ( 5.807 4.317 0.000) 7.236 6.799 ( -2.019 4.151 0.000) 4.616 6.832 ( -3.566 3.080 0.000) 4.712 6.833 ( -6.681 0.707 0.000) 6.718 6.877 ( -8.109 0.009 0.000) 8.109 6.913 ( -4.280 -2.357 0.000) 4.886 6.942 ( 0.313 0.309 0.000) 0.439 6.959 ( 0.820 -1.500 0.000) 1.709 7.018 ( -2.621 -0.474 0.000) 2.664 7.052 ( -5.153 -2.603 0.000) 5.773 7.096 ( 4.221 4.381 0.000) 6.084 7.158 ( -2.551 -1.649 0.000) 3.037 7.205 ( -3.971 0.969 0.000) 4.088 7.216 ( -3.592 -2.986 0.000) 4.671 7.330 ( 0.531 -2.414 0.000) 2.471 7.376 ( 3.704 4.434 0.000) 5.778 7.388 ( 2.052 0.610 0.000) 2.141 7.432 ( -1.320 7.201 0.000) 7.321 7.577 ( 6.731 -0.650 0.000) 6.763 7.632 ( 4.786 -2.661 0.000) 5.476 7.672 ( 8.146 -3.887 0.000) 9.026 7.702 ( 8.656 0.366 0.000) 8.664 7.722 ( 6.846 0.159 0.000) 6.848 7.821 ( 9.773 -3.613 0.000) 10.419 7.917 ( 3.982 0.182 0.000) 3.986 7.929 ( 4.956 0.416 0.000) 4.973 7.933 ( 3.263 2.459 0.000) 4.086 8.017 ( 3.434 -2.635 0.000) 4.328 8.126 ( -1.855 -1.202 0.000) 2.210 8.150 ( 0.158 0.042 0.000) 0.164 8.209 ( -2.355 5.535 0.000) 6.015 8.284 ( 1.778 2.522 0.000) 3.086 8.362 ( -3.840 -4.635 0.000) 6.019 8.493 ( 5.531 0.644 0.000) 5.569 8.494 ( -3.589 -5.059 0.000) 6.203 8.598 ( 13.710 -0.789 0.000) 13.732 8.836 ( -3.908 13.896 0.000) 14.435 9.585 ( -2.055 -9.509 0.000) 9.728 15.032 ( 0.085 0.300 0.000) 0.312 15.036 ( 0.201 0.141 0.000) 0.245 15.054 ( -0.564 -0.171 0.000) 0.589 15.058 ( 0.283 0.677 0.000) 0.734 15.070 ( -0.069 -0.656 0.000) 0.660 15.117 ( -0.881 1.139 0.000) 1.440 15.160 ( 0.546 0.072 0.000) 0.550 15.183 ( 0.295 -1.769 0.000) 1.793 15.237 ( 0.063 0.811 0.000) 0.813 15.267 ( -0.539 0.209 0.000) 0.578 15.281 ( -0.208 0.284 0.000) 0.352 15.311 ( 0.399 -1.093 0.000) 1.164 15.319 ( -0.584 -0.862 0.000) 1.041 15.337 ( -0.337 -0.959 0.000) 1.017 15.355 ( -0.933 0.697 0.000) 1.164 15.490 ( -1.598 -2.624 0.000) 3.072 18.722 ( 0.942 0.223 0.000) 0.968 18.751 ( 1.294 -0.503 0.000) 1.389 18.818 ( -0.430 0.251 0.000) 0.497 18.834 ( 0.445 1.088 0.000) 1.176 18.849 ( -0.891 1.046 0.000) 1.374 18.898 ( 1.018 -1.083 0.000) 1.487 18.901 ( 0.067 -0.533 0.000) 0.537 18.984 ( -0.339 -1.535 0.000) 1.572 19.097 ( 1.238 -1.129 0.000) 1.676 19.108 ( 0.106 0.790 0.000) 0.797 19.149 ( 0.691 -2.316 0.000) 2.417 19.200 ( 0.416 -1.889 0.000) 1.934 19.220 ( -0.058 0.886 0.000) 0.888 19.258 ( -0.747 -1.842 0.000) 1.988 19.265 ( -0.426 -0.354 0.000) 0.554 19.297 ( 0.860 1.492 0.000) 1.723 19.322 ( -0.231 0.104 0.000) 0.253 19.341 ( 0.209 0.106 0.000) 0.234 19.361 ( 0.999 -0.489 0.000) 1.112 19.381 ( 0.713 0.133 0.000) 0.725 19.483 ( 0.244 2.291 0.000) 2.304 19.540 ( -0.557 2.201 0.000) 2.271 19.559 ( -0.170 0.073 0.000) 0.185 19.615 ( -1.329 -0.360 0.000) 1.377 25.494 ( 0.001 -0.030 0.000) 0.030 25.496 ( 0.085 -0.264 0.000) 0.277 25.500 ( 0.062 0.198 0.000) 0.207 25.505 ( -0.040 -0.332 0.000) 0.334 25.511 ( -0.097 -0.162 0.000) 0.189 25.511 ( 0.010 0.269 0.000) 0.269 25.514 ( 0.123 -0.202 0.000) 0.236 25.525 ( -0.058 -0.507 0.000) 0.510 26.837 ( -0.783 5.952 0.000) 6.003 26.841 ( 1.944 0.118 0.000) 1.948 26.900 ( 0.802 2.451 0.000) 2.579 26.941 ( -1.474 -0.628 0.000) 1.602 27.095 ( 3.459 7.060 0.000) 7.862 27.151 ( -1.984 1.310 0.000) 2.377 27.322 ( -1.653 9.004 0.000) 9.155 27.357 ( -3.140 5.777 0.000) 6.575 27.484 ( 4.750 5.955 0.000) 7.618 27.487 ( -8.074 0.933 0.000) 8.128 27.573 ( 0.459 2.338 0.000) 2.383 27.610 ( -7.096 0.257 0.000) 7.100 27.791 ( -0.606 -1.535 0.000) 1.650 27.792 ( -8.439 -2.840 0.000) 8.904 27.942 ( -7.457 -4.980 0.000) 8.967 28.026 ( -4.282 14.413 0.000) 15.035 28.407 ( 2.812 -10.143 0.000) 10.525 28.448 ( 5.681 4.412 0.000) 7.193 28.531 ( 4.231 0.348 0.000) 4.245 28.800 ( -6.125 -4.327 0.000) 7.499 28.881 ( 7.308 -5.327 0.000) 9.043 29.166 ( 4.755 -1.709 0.000) 5.053 29.343 ( 0.960 -9.907 0.000) 9.953 29.389 ( 4.753 -10.812 0.000) 11.811 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 2.166 20.437 0.000) 20.551 1.292 ( 6.978 9.899 0.000) 12.112 1.323 ( 13.051 29.412 0.000) 32.178 1.338 ( 13.317 16.079 0.000) 20.878 1.831 ( -7.555 11.265 0.000) 13.564 1.869 ( 22.641 1.180 0.000) 22.672 2.061 ( 2.073 -6.856 0.000) 7.162 2.270 ( 7.012 0.124 0.000) 7.013 2.294 ( -5.055 3.215 0.000) 5.991 2.311 ( -3.658 -2.107 0.000) 4.222 2.462 ( 4.449 0.410 0.000) 4.467 2.483 ( 10.856 -2.014 0.000) 11.041 2.556 ( -2.967 1.516 0.000) 3.332 2.682 ( 4.463 -0.709 0.000) 4.519 2.716 ( -2.239 -6.869 0.000) 7.224 2.805 ( -0.226 -2.990 0.000) 2.998 2.831 ( -4.815 -3.997 0.000) 6.258 2.944 ( -5.697 2.679 0.000) 6.296 3.042 ( 1.183 -2.681 0.000) 2.930 3.065 ( -2.391 -7.115 0.000) 7.506 3.156 ( 10.150 -7.011 0.000) 12.336 3.248 ( 0.539 7.509 0.000) 7.528 3.333 ( 0.967 6.597 0.000) 6.667 3.449 ( -0.342 3.511 0.000) 3.527 3.516 ( -6.195 3.576 0.000) 7.154 3.544 ( -7.293 -0.347 0.000) 7.302 3.591 ( -4.087 -0.012 0.000) 4.087 3.653 ( -0.736 2.383 0.000) 2.494 3.703 ( 5.183 -1.285 0.000) 5.340 3.754 ( 4.116 2.549 0.000) 4.841 3.825 ( 2.450 3.240 0.000) 4.061 3.917 ( 1.115 1.400 0.000) 1.790 3.936 ( -3.786 -5.211 0.000) 6.441 3.954 ( -8.178 -3.057 0.000) 8.730 3.974 ( 2.861 -5.108 0.000) 5.855 4.042 ( -3.438 6.872 0.000) 7.684 4.077 ( 8.254 -3.438 0.000) 8.942 4.222 ( -3.413 8.237 0.000) 8.916 4.316 ( 6.603 -1.301 0.000) 6.730 4.335 ( -1.643 -1.485 0.000) 2.215 4.363 ( -3.931 -3.128 0.000) 5.024 4.438 ( -7.554 -0.640 0.000) 7.581 4.578 ( 1.752 5.073 0.000) 5.367 4.627 ( 0.194 -0.401 0.000) 0.445 4.668 ( 8.152 0.036 0.000) 8.152 4.759 ( 5.371 0.121 0.000) 5.372 4.804 ( 9.719 4.348 0.000) 10.647 4.820 ( 4.846 -1.850 0.000) 5.187 4.945 ( -0.383 3.664 0.000) 3.684 5.001 ( 0.099 3.003 0.000) 3.005 5.059 ( 4.823 -8.324 0.000) 9.620 5.131 ( 4.547 -0.959 0.000) 4.647 5.183 ( -1.714 -2.532 0.000) 3.058 5.243 ( -1.347 6.222 0.000) 6.366 5.275 ( 0.109 4.926 0.000) 4.928 5.287 ( 3.041 0.291 0.000) 3.055 5.404 ( -3.917 -3.978 0.000) 5.582 5.419 ( -12.150 -0.065 0.000) 12.150 5.507 ( -2.079 -1.995 0.000) 2.881 5.524 ( 0.323 -2.750 0.000) 2.769 5.649 ( -4.988 -0.376 0.000) 5.002 5.678 ( -8.836 -6.411 0.000) 10.917 5.741 ( 1.143 -5.356 0.000) 5.477 5.806 ( 6.261 0.044 0.000) 6.261 5.830 ( -4.146 0.836 0.000) 4.230 5.866 ( -0.558 1.273 0.000) 1.390 5.907 ( -3.122 1.213 0.000) 3.349 5.933 ( -5.044 5.626 0.000) 7.556 5.949 ( -5.118 1.251 0.000) 5.269 5.981 ( -3.849 4.071 0.000) 5.602 6.057 ( -2.849 -2.006 0.000) 3.485 6.094 ( 0.423 -1.876 0.000) 1.924 6.149 ( 4.878 -2.171 0.000) 5.339 6.290 ( -10.142 -9.058 0.000) 13.598 6.315 ( -0.829 -1.291 0.000) 1.534 6.342 ( -2.620 -1.810 0.000) 3.184 6.420 ( -5.159 -2.585 0.000) 5.770 6.455 ( -4.462 -2.554 0.000) 5.141 6.543 ( -2.564 -8.038 0.000) 8.437 6.577 ( 0.867 -1.407 0.000) 1.653 6.621 ( -4.157 -2.029 0.000) 4.626 6.680 ( -5.956 -1.446 0.000) 6.129 6.707 ( -3.436 -0.616 0.000) 3.491 6.739 ( -3.913 0.047 0.000) 3.913 6.795 ( 0.054 3.445 0.000) 3.445 6.810 ( -0.159 1.391 0.000) 1.400 6.856 ( -1.392 -0.414 0.000) 1.452 6.866 ( 2.904 1.905 0.000) 3.473 6.891 ( -3.728 1.898 0.000) 4.183 6.925 ( -2.278 3.406 0.000) 4.097 7.013 ( 1.029 -0.354 0.000) 1.088 7.052 ( 1.844 -1.465 0.000) 2.355 7.106 ( -3.586 3.235 0.000) 4.830 7.113 ( -1.758 -0.535 0.000) 1.837 7.200 ( 1.327 -3.341 0.000) 3.594 7.229 ( 5.606 6.775 0.000) 8.793 7.304 ( -3.488 -5.167 0.000) 6.233 7.357 ( -2.356 7.448 0.000) 7.812 7.455 ( 6.632 0.786 0.000) 6.678 7.509 ( 4.740 6.432 0.000) 7.990 7.623 ( -0.454 3.178 0.000) 3.210 7.693 ( 1.609 -3.266 0.000) 3.641 7.818 ( 3.314 4.120 0.000) 5.288 7.868 ( 4.784 -1.299 0.000) 4.957 7.881 ( 8.270 -2.544 0.000) 8.652 7.954 ( 7.981 -2.463 0.000) 8.352 7.969 ( -3.921 2.344 0.000) 4.568 7.991 ( 1.164 1.147 0.000) 1.634 8.009 ( 3.176 -1.104 0.000) 3.363 8.058 ( 5.514 -1.450 0.000) 5.701 8.095 ( 2.394 -0.887 0.000) 2.553 8.147 ( -0.915 0.271 0.000) 0.955 8.179 ( 0.225 0.756 0.000) 0.789 8.276 ( -3.016 -0.804 0.000) 3.122 8.279 ( -4.230 -2.900 0.000) 5.129 8.393 ( -6.545 -4.123 0.000) 7.735 8.611 ( 5.562 5.212 0.000) 7.622 8.759 ( -3.674 12.300 0.000) 12.837 8.939 ( 18.732 -3.160 0.000) 18.997 9.483 ( -8.357 -8.444 0.000) 11.880 15.035 ( 0.163 0.094 0.000) 0.188 15.042 ( 0.410 -0.190 0.000) 0.452 15.045 ( -0.365 -0.140 0.000) 0.391 15.064 ( -0.527 -0.669 0.000) 0.852 15.067 ( 0.626 0.944 0.000) 1.132 15.099 ( -0.909 1.009 0.000) 1.358 15.171 ( 0.581 -0.606 0.000) 0.840 15.188 ( 0.019 -1.685 0.000) 1.685 15.240 ( 0.244 0.576 0.000) 0.625 15.255 ( -0.540 0.221 0.000) 0.584 15.283 ( 0.532 0.234 0.000) 0.581 15.308 ( -0.437 -0.652 0.000) 0.785 15.319 ( -0.374 -1.098 0.000) 1.160 15.331 ( -1.420 0.569 0.000) 1.530 15.346 ( 1.829 -1.773 0.000) 2.547 15.448 ( -2.647 -2.588 0.000) 3.702 18.747 ( 1.493 0.267 0.000) 1.517 18.781 ( 1.622 -0.408 0.000) 1.673 18.804 ( -1.097 0.045 0.000) 1.098 18.829 ( -1.031 0.675 0.000) 1.232 18.858 ( 1.596 0.947 0.000) 1.856 18.899 ( -0.349 0.040 0.000) 0.351 18.920 ( 1.294 -0.792 0.000) 1.517 18.972 ( -0.982 -1.018 0.000) 1.414 19.112 ( 0.306 0.749 0.000) 0.809 19.113 ( 0.506 -0.585 0.000) 0.774 19.166 ( 1.095 -2.307 0.000) 2.553 19.208 ( 0.152 -1.789 0.000) 1.795 19.220 ( 0.265 0.513 0.000) 0.577 19.239 ( -0.941 -1.751 0.000) 1.988 19.259 ( -0.014 -0.975 0.000) 0.975 19.303 ( -1.486 -1.822 0.000) 2.351 19.318 ( 1.303 1.760 0.000) 2.190 19.355 ( 0.597 2.044 0.000) 2.130 19.378 ( 0.554 0.318 0.000) 0.639 19.380 ( -0.507 1.020 0.000) 1.139 19.496 ( 1.206 1.347 0.000) 1.808 19.536 ( 0.105 1.458 0.000) 1.462 19.553 ( -0.355 0.257 0.000) 0.438 19.579 ( -2.208 -0.081 0.000) 2.210 25.495 ( 0.046 -0.029 0.000) 0.054 25.497 ( -0.005 -0.259 0.000) 0.259 25.501 ( 0.040 0.114 0.000) 0.121 25.504 ( -0.107 -0.256 0.000) 0.277 25.510 ( -0.007 -0.096 0.000) 0.096 25.511 ( -0.024 0.207 0.000) 0.208 25.517 ( 0.231 -0.357 0.000) 0.425 25.524 ( -0.054 -0.524 0.000) 0.527 26.888 ( 5.015 4.288 0.000) 6.599 26.891 ( 2.549 2.429 0.000) 3.521 26.930 ( 1.179 0.772 0.000) 1.409 26.953 ( 2.670 0.516 0.000) 2.720 27.103 ( -1.216 2.508 0.000) 2.788 27.160 ( 2.831 5.313 0.000) 6.020 27.266 ( -5.730 4.761 0.000) 7.450 27.271 ( -7.179 8.058 0.000) 10.792 27.323 ( -4.073 4.276 0.000) 5.905 27.464 ( -6.861 4.961 0.000) 8.467 27.532 ( -1.054 -0.908 0.000) 1.391 27.573 ( -0.449 -3.064 0.000) 3.096 27.670 ( -1.756 1.887 0.000) 2.578 27.746 ( -4.027 1.540 0.000) 4.311 27.840 ( -1.457 -0.583 0.000) 1.569 27.966 ( -3.350 9.379 0.000) 9.960 28.480 ( 3.887 -7.162 0.000) 8.149 28.528 ( 2.221 -1.012 0.000) 2.441 28.618 ( 4.032 1.712 0.000) 4.380 28.712 ( -2.728 -1.013 0.000) 2.910 29.035 ( 7.772 -5.772 0.000) 9.681 29.213 ( -0.190 -4.453 0.000) 4.458 29.369 ( 1.634 -10.134 0.000) 10.265 29.424 ( -0.247 -10.984 0.000) 10.986 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -2.562 12.251 0.000) 12.516 1.263 ( 2.562 12.251 0.000) 12.516 1.587 ( -12.635 21.710 0.000) 25.119 1.587 ( 12.635 21.710 0.000) 25.119 1.776 ( -20.055 9.710 0.000) 22.282 1.776 ( 20.055 9.710 0.000) 22.282 2.132 ( -4.038 -10.418 0.000) 11.173 2.132 ( 4.038 -10.418 0.000) 11.173 2.437 ( -6.464 -2.134 0.000) 6.808 2.437 ( 6.464 -2.134 0.000) 6.808 2.523 ( -1.615 0.999 0.000) 1.899 2.523 ( 1.615 0.999 0.000) 1.899 2.628 ( -10.915 5.752 0.000) 12.338 2.628 ( 10.915 5.752 0.000) 12.338 2.738 ( -3.367 0.318 0.000) 3.382 2.738 ( 3.367 0.318 0.000) 3.382 2.818 ( -3.944 -7.346 0.000) 8.338 2.818 ( 3.944 -7.346 0.000) 8.338 3.085 ( -1.200 -4.719 0.000) 4.869 3.085 ( 1.200 -4.719 0.000) 4.869 3.311 ( -3.982 5.406 0.000) 6.714 3.311 ( 3.982 5.406 0.000) 6.714 3.367 ( -10.003 -2.658 0.000) 10.350 3.367 ( 10.003 -2.658 0.000) 10.350 3.444 ( -0.444 4.117 0.000) 4.141 3.444 ( 0.444 4.117 0.000) 4.141 3.603 ( -5.436 -1.375 0.000) 5.607 3.603 ( 5.436 -1.375 0.000) 5.607 3.776 ( -2.695 -7.113 0.000) 7.606 3.776 ( 2.695 -7.113 0.000) 7.606 3.831 ( -3.771 3.213 0.000) 4.954 3.831 ( 3.771 3.213 0.000) 4.954 3.906 ( -1.985 5.132 0.000) 5.502 3.906 ( 1.985 5.132 0.000) 5.502 4.064 ( -0.158 2.648 0.000) 2.652 4.064 ( 0.158 2.648 0.000) 2.652 4.180 ( -5.041 3.381 0.000) 6.070 4.180 ( 5.041 3.381 0.000) 6.070 4.241 ( -8.013 -5.518 0.000) 9.729 4.241 ( 8.013 -5.518 0.000) 9.729 4.400 ( -1.661 -1.811 0.000) 2.457 4.400 ( 1.661 -1.811 0.000) 2.457 4.600 ( -1.426 3.172 0.000) 3.478 4.600 ( 1.426 3.172 0.000) 3.478 4.789 ( -2.494 1.774 0.000) 3.061 4.789 ( 2.494 1.774 0.000) 3.061 4.912 ( -3.569 1.153 0.000) 3.751 4.912 ( 3.569 1.153 0.000) 3.751 5.033 ( -4.646 -1.015 0.000) 4.755 5.033 ( 4.646 -1.015 0.000) 4.755 5.060 ( -5.951 -0.558 0.000) 5.978 5.060 ( 5.951 -0.558 0.000) 5.978 5.209 ( -4.556 -0.914 0.000) 4.647 5.209 ( 4.556 -0.914 0.000) 4.647 5.276 ( -3.679 0.857 0.000) 3.778 5.276 ( 3.679 0.857 0.000) 3.778 5.367 ( -4.018 0.910 0.000) 4.120 5.367 ( 4.018 0.910 0.000) 4.120 5.473 ( -4.113 -6.174 0.000) 7.419 5.473 ( 4.113 -6.174 0.000) 7.419 5.572 ( -0.104 -1.011 0.000) 1.017 5.572 ( 0.104 -1.011 0.000) 1.017 5.796 ( -3.536 1.332 0.000) 3.779 5.796 ( 3.536 1.332 0.000) 3.779 5.822 ( -3.307 2.058 0.000) 3.895 5.822 ( 3.307 2.058 0.000) 3.895 5.885 ( -0.587 2.459 0.000) 2.528 5.885 ( 0.587 2.459 0.000) 2.528 5.958 ( -1.272 2.908 0.000) 3.175 5.958 ( 1.272 2.908 0.000) 3.175 6.053 ( -4.470 -7.085 0.000) 8.377 6.053 ( 4.470 -7.085 0.000) 8.377 6.207 ( -2.156 -1.772 0.000) 2.791 6.207 ( 2.156 -1.772 0.000) 2.791 6.309 ( -5.611 -3.784 0.000) 6.768 6.309 ( 5.611 -3.784 0.000) 6.768 6.380 ( -1.298 -4.284 0.000) 4.476 6.380 ( 1.298 -4.284 0.000) 4.476 6.545 ( -2.660 -5.425 0.000) 6.042 6.545 ( 2.660 -5.425 0.000) 6.042 6.607 ( -2.248 -1.666 0.000) 2.799 6.607 ( 2.248 -1.666 0.000) 2.799 6.685 ( -1.450 -0.898 0.000) 1.706 6.685 ( 1.450 -0.898 0.000) 1.706 6.795 ( -0.599 3.193 0.000) 3.249 6.795 ( 0.599 3.193 0.000) 3.249 6.864 ( -0.615 1.056 0.000) 1.222 6.864 ( 0.615 1.056 0.000) 1.222 6.890 ( -0.739 3.854 0.000) 3.924 6.890 ( 0.739 3.854 0.000) 3.924 7.043 ( -2.048 1.402 0.000) 2.482 7.043 ( 2.048 1.402 0.000) 2.482 7.088 ( -1.071 0.416 0.000) 1.149 7.088 ( 1.071 0.416 0.000) 1.149 7.238 ( -2.709 -5.130 0.000) 5.801 7.238 ( 2.709 -5.130 0.000) 5.801 7.308 ( -2.898 7.378 0.000) 7.927 7.308 ( 2.898 7.378 0.000) 7.927 7.579 ( -1.519 2.887 0.000) 3.262 7.579 ( 1.519 2.887 0.000) 3.262 7.629 ( -7.162 1.854 0.000) 7.398 7.629 ( 7.162 1.854 0.000) 7.398 7.850 ( -1.591 4.364 0.000) 4.645 7.850 ( 1.591 4.364 0.000) 4.645 7.961 ( -0.099 -1.867 0.000) 1.870 7.961 ( 0.099 -1.867 0.000) 1.870 8.023 ( -0.445 -0.627 0.000) 0.769 8.023 ( 0.445 -0.627 0.000) 0.769 8.108 ( -2.022 -1.612 0.000) 2.586 8.108 ( 2.022 -1.612 0.000) 2.586 8.121 ( -5.546 -2.230 0.000) 5.978 8.121 ( 5.546 -2.230 0.000) 5.978 8.223 ( -1.841 -0.534 0.000) 1.917 8.223 ( 1.841 -0.534 0.000) 1.917 8.257 ( -6.268 -3.145 0.000) 7.013 8.257 ( 6.268 -3.145 0.000) 7.013 8.695 ( -3.348 9.527 0.000) 10.098 8.695 ( 3.348 9.527 0.000) 10.098 9.264 ( -14.297 -5.808 0.000) 15.431 9.264 ( 14.297 -5.808 0.000) 15.431 15.039 ( -0.245 -0.019 0.000) 0.246 15.039 ( 0.245 -0.019 0.000) 0.246 15.052 ( -0.622 -0.509 0.000) 0.804 15.052 ( 0.622 -0.509 0.000) 0.804 15.082 ( -0.872 1.009 0.000) 1.333 15.082 ( 0.872 1.009 0.000) 1.333 15.182 ( -0.528 -1.303 0.000) 1.406 15.182 ( 0.528 -1.303 0.000) 1.406 15.246 ( -0.395 0.351 0.000) 0.529 15.246 ( 0.395 0.351 0.000) 0.529 15.300 ( -0.938 -0.065 0.000) 0.940 15.300 ( 0.938 -0.065 0.000) 0.940 15.310 ( -0.005 -0.218 0.000) 0.218 15.310 ( 0.005 -0.218 0.000) 0.218 15.393 ( -2.829 -2.434 0.000) 3.732 15.393 ( 2.829 -2.434 0.000) 3.732 18.777 ( -1.586 0.206 0.000) 1.600 18.777 ( 1.586 0.206 0.000) 1.600 18.809 ( -1.199 -0.028 0.000) 1.199 18.809 ( 1.199 -0.028 0.000) 1.199 18.885 ( -1.092 0.639 0.000) 1.265 18.885 ( 1.092 0.639 0.000) 1.265 18.947 ( -1.469 -0.762 0.000) 1.655 18.947 ( 1.469 -0.762 0.000) 1.655 19.117 ( -0.116 0.322 0.000) 0.342 19.117 ( 0.116 0.322 0.000) 0.342 19.192 ( -1.489 -2.039 0.000) 2.524 19.192 ( 1.489 -2.039 0.000) 2.524 19.228 ( -0.453 -0.714 0.000) 0.846 19.228 ( 0.453 -0.714 0.000) 0.846 19.273 ( -1.376 -1.671 0.000) 2.165 19.273 ( 1.376 -1.671 0.000) 2.165 19.345 ( -1.331 1.911 0.000) 2.329 19.345 ( 1.331 1.911 0.000) 2.329 19.380 ( -0.285 1.238 0.000) 1.270 19.380 ( 0.285 1.238 0.000) 1.270 19.529 ( -1.842 0.229 0.000) 1.856 19.529 ( 1.842 0.229 0.000) 1.856 19.547 ( -0.002 0.802 0.000) 0.802 19.547 ( 0.002 0.802 0.000) 0.802 25.496 ( -0.069 -0.146 0.000) 0.162 25.496 ( 0.069 -0.146 0.000) 0.162 25.502 ( -0.059 -0.086 0.000) 0.104 25.502 ( 0.059 -0.086 0.000) 0.104 25.510 ( -0.029 0.071 0.000) 0.077 25.510 ( 0.029 0.071 0.000) 0.077 25.522 ( -0.191 -0.489 0.000) 0.525 25.522 ( 0.191 -0.489 0.000) 0.525 26.918 ( -1.055 2.972 0.000) 3.153 26.918 ( 1.055 2.972 0.000) 3.153 26.997 ( -2.868 -0.734 0.000) 2.960 26.997 ( 2.868 -0.734 0.000) 2.960 27.111 ( -5.927 4.157 0.000) 7.239 27.111 ( 5.927 4.157 0.000) 7.239 27.212 ( -0.919 6.330 0.000) 6.396 27.212 ( 0.919 6.330 0.000) 6.396 27.322 ( -5.265 5.913 0.000) 7.917 27.322 ( 5.265 5.913 0.000) 7.917 27.551 ( -1.982 -1.932 0.000) 2.768 27.551 ( 1.982 -1.932 0.000) 2.768 27.675 ( -2.119 -0.347 0.000) 2.147 27.675 ( 2.119 -0.347 0.000) 2.148 27.886 ( -4.481 6.118 0.000) 7.584 27.886 ( 4.481 6.118 0.000) 7.584 28.535 ( -1.413 -3.953 0.000) 4.198 28.535 ( 1.413 -3.953 0.000) 4.198 28.674 ( -1.926 0.992 0.000) 2.167 28.674 ( 1.926 0.992 0.000) 2.167 29.161 ( -4.907 -5.621 0.000) 7.461 29.161 ( 4.907 -5.621 0.000) 7.461 29.402 ( -1.629 -10.462 0.000) 10.588 29.402 ( 1.629 -10.462 0.000) 10.588 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 0.000 16.707 0.000) 16.707 1.119 ( 0.000 -2.087 0.000) 2.087 1.454 ( 0.000 27.586 0.000) 27.586 1.586 ( 0.000 17.318 0.000) 17.318 1.786 ( 0.000 -14.296 0.000) 14.296 1.967 ( 0.000 26.826 0.000) 26.826 1.973 ( 0.000 14.200 0.000) 14.200 2.174 ( 0.000 -25.727 0.000) 25.727 2.185 ( 0.000 -6.310 0.000) 6.310 2.202 ( 0.000 -2.365 0.000) 2.365 2.299 ( 0.000 -11.161 0.000) 11.161 2.423 ( 0.000 -1.803 0.000) 1.803 2.437 ( 0.000 -13.954 0.000) 13.954 2.582 ( 0.000 -6.015 0.000) 6.015 2.734 ( 0.000 10.396 0.000) 10.396 2.819 ( 0.000 11.462 0.000) 11.462 2.925 ( 0.000 -9.329 0.000) 9.329 2.930 ( 0.000 11.078 0.000) 11.078 3.087 ( 0.000 -11.864 0.000) 11.864 3.163 ( 0.000 -9.141 0.000) 9.141 3.208 ( 0.000 10.374 0.000) 10.374 3.362 ( 0.000 13.923 0.000) 13.923 3.471 ( 0.000 -9.890 0.000) 9.890 3.483 ( 0.000 5.006 0.000) 5.006 3.543 ( 0.000 7.781 0.000) 7.781 3.615 ( 0.000 3.607 0.000) 3.607 3.707 ( 0.000 0.799 0.000) 0.799 3.708 ( 0.000 2.741 0.000) 2.741 3.729 ( 0.000 -3.621 0.000) 3.621 3.766 ( 0.000 -2.770 0.000) 2.770 3.835 ( 0.000 -2.846 0.000) 2.846 3.859 ( 0.000 -9.905 0.000) 9.905 3.895 ( 0.000 1.643 0.000) 1.643 3.943 ( 0.000 -1.099 0.000) 1.099 3.982 ( 0.000 4.915 0.000) 4.915 3.996 ( 0.000 8.579 0.000) 8.579 4.081 ( 0.000 -3.226 0.000) 3.226 4.134 ( 0.000 -4.950 0.000) 4.950 4.351 ( 0.000 3.726 0.000) 3.726 4.378 ( 0.000 -1.271 0.000) 1.271 4.382 ( 0.000 8.214 0.000) 8.214 4.518 ( 0.000 -0.741 0.000) 0.741 4.544 ( 0.000 -1.476 0.000) 1.476 4.559 ( 0.000 -5.718 0.000) 5.718 4.632 ( 0.000 -2.513 0.000) 2.513 4.658 ( 0.000 -0.584 0.000) 0.584 4.729 ( 0.000 0.924 0.000) 0.924 4.740 ( 0.000 3.687 0.000) 3.687 4.793 ( 0.000 -0.727 0.000) 0.727 4.869 ( 0.000 -10.394 0.000) 10.394 4.913 ( 0.000 13.730 0.000) 13.730 5.121 ( 0.000 1.071 0.000) 1.071 5.158 ( 0.000 -5.343 0.000) 5.343 5.255 ( 0.000 -10.769 0.000) 10.769 5.330 ( 0.000 1.201 0.000) 1.201 5.347 ( 0.000 10.787 0.000) 10.787 5.397 ( 0.000 -6.359 0.000) 6.359 5.477 ( 0.000 4.812 0.000) 4.812 5.482 ( 0.000 0.339 0.000) 0.339 5.569 ( 0.000 -2.430 0.000) 2.430 5.719 ( 0.000 5.765 0.000) 5.765 5.726 ( 0.000 -0.154 0.000) 0.154 5.763 ( 0.000 -3.307 0.000) 3.307 5.815 ( 0.000 1.281 0.000) 1.281 5.907 ( 0.000 -1.195 0.000) 1.195 5.927 ( 0.000 -4.166 0.000) 4.166 5.996 ( 0.000 0.312 0.000) 0.312 6.009 ( 0.000 -0.024 0.000) 0.024 6.095 ( 0.000 3.622 0.000) 3.622 6.107 ( 0.000 1.625 0.000) 1.625 6.170 ( 0.000 -2.022 0.000) 2.022 6.180 ( 0.000 -5.772 0.000) 5.772 6.245 ( 0.000 0.922 0.000) 0.922 6.273 ( 0.000 -3.213 0.000) 3.213 6.381 ( 0.000 0.128 0.000) 0.128 6.429 ( 0.000 -4.147 0.000) 4.147 6.523 ( 0.000 -1.204 0.000) 1.204 6.546 ( 0.000 -2.988 0.000) 2.988 6.655 ( 0.000 0.917 0.000) 0.917 6.686 ( 0.000 -2.036 0.000) 2.036 6.764 ( 0.000 4.752 0.000) 4.752 6.790 ( 0.000 2.978 0.000) 2.978 6.801 ( 0.000 2.414 0.000) 2.414 6.872 ( 0.000 -4.240 0.000) 4.240 6.888 ( 0.000 3.083 0.000) 3.083 6.928 ( 0.000 0.468 0.000) 0.468 6.928 ( 0.000 1.148 0.000) 1.148 6.951 ( 0.000 -0.272 0.000) 0.272 6.965 ( 0.000 1.872 0.000) 1.872 7.036 ( 0.000 2.830 0.000) 2.830 7.043 ( 0.000 -4.823 0.000) 4.823 7.073 ( 0.000 0.370 0.000) 0.370 7.171 ( 0.000 -0.233 0.000) 0.233 7.181 ( 0.000 -3.453 0.000) 3.453 7.189 ( 0.000 2.461 0.000) 2.461 7.240 ( 0.000 -1.891 0.000) 1.891 7.346 ( 0.000 2.650 0.000) 2.650 7.371 ( 0.000 -0.721 0.000) 0.721 7.386 ( 0.000 2.190 0.000) 2.190 7.405 ( 0.000 -3.349 0.000) 3.349 7.418 ( 0.000 -1.104 0.000) 1.104 7.448 ( 0.000 -4.921 0.000) 4.921 7.512 ( 0.000 3.918 0.000) 3.918 7.600 ( 0.000 -3.564 0.000) 3.564 7.640 ( 0.000 2.324 0.000) 2.324 7.684 ( 0.000 -1.081 0.000) 1.081 7.853 ( 0.000 0.134 0.000) 0.134 7.870 ( 0.000 -0.980 0.000) 0.980 7.966 ( 0.000 3.564 0.000) 3.564 8.049 ( 0.000 -4.309 0.000) 4.309 8.051 ( 0.000 6.233 0.000) 6.233 8.137 ( 0.000 -1.825 0.000) 1.825 8.301 ( 0.000 6.320 0.000) 6.320 8.343 ( 0.000 0.124 0.000) 0.124 8.402 ( 0.000 -3.041 0.000) 3.041 8.409 ( 0.000 -5.582 0.000) 5.582 8.411 ( 0.000 3.153 0.000) 3.153 8.454 ( 0.000 -1.168 0.000) 1.168 9.167 ( 0.000 13.120 0.000) 13.120 9.415 ( 0.000 -10.409 0.000) 10.409 15.037 ( 0.000 0.140 0.000) 0.140 15.039 ( 0.000 0.063 0.000) 0.063 15.058 ( 0.000 -0.080 0.000) 0.080 15.060 ( 0.000 -0.282 0.000) 0.282 15.082 ( 0.000 2.044 0.000) 2.044 15.133 ( 0.000 -2.591 0.000) 2.591 15.150 ( 0.000 0.754 0.000) 0.754 15.157 ( 0.000 0.049 0.000) 0.049 15.263 ( 0.000 1.587 0.000) 1.587 15.282 ( 0.000 0.696 0.000) 0.696 15.296 ( 0.000 0.710 0.000) 0.710 15.298 ( 0.000 -1.600 0.000) 1.600 15.300 ( 0.000 -0.901 0.000) 0.901 15.315 ( 0.000 -1.176 0.000) 1.176 15.391 ( 0.000 1.867 0.000) 1.867 15.443 ( 0.000 -3.056 0.000) 3.056 18.718 ( 0.000 0.299 0.000) 0.299 18.726 ( 0.000 -0.496 0.000) 0.496 18.840 ( 0.000 1.306 0.000) 1.306 18.845 ( 0.000 0.351 0.000) 0.351 18.859 ( 0.000 -0.956 0.000) 0.956 18.873 ( 0.000 -1.605 0.000) 1.605 18.893 ( 0.000 2.041 0.000) 2.041 18.940 ( 0.000 -2.425 0.000) 2.425 19.084 ( 0.000 0.578 0.000) 0.578 19.103 ( 0.000 -1.384 0.000) 1.384 19.128 ( 0.000 1.242 0.000) 1.242 19.159 ( 0.000 -1.691 0.000) 1.691 19.245 ( 0.000 -0.027 0.000) 0.027 19.246 ( 0.000 1.903 0.000) 1.903 19.256 ( 0.000 -0.807 0.000) 0.807 19.294 ( 0.000 -2.632 0.000) 2.632 19.316 ( 0.000 1.066 0.000) 1.066 19.334 ( 0.000 -0.796 0.000) 0.796 19.358 ( 0.000 1.077 0.000) 1.077 19.367 ( 0.000 0.160 0.000) 0.160 19.529 ( 0.000 1.852 0.000) 1.852 19.555 ( 0.000 -0.652 0.000) 0.652 19.585 ( 0.000 1.587 0.000) 1.587 19.613 ( 0.000 -1.012 0.000) 1.012 25.494 ( 0.000 0.206 0.000) 0.206 25.495 ( 0.000 0.094 0.000) 0.094 25.499 ( 0.000 -0.292 0.000) 0.292 25.501 ( 0.000 -0.260 0.000) 0.260 25.509 ( 0.000 -0.108 0.000) 0.108 25.509 ( 0.000 -0.118 0.000) 0.118 25.515 ( 0.000 0.065 0.000) 0.065 25.515 ( 0.000 -0.181 0.000) 0.181 26.830 ( 0.000 1.114 0.000) 1.114 26.860 ( 0.000 2.638 0.000) 2.638 26.870 ( 0.000 -2.998 0.000) 2.998 26.932 ( 0.000 -3.891 0.000) 3.891 27.301 ( 0.000 8.257 0.000) 8.257 27.355 ( 0.000 15.736 0.000) 15.736 27.441 ( 0.000 -4.760 0.000) 4.760 27.538 ( 0.000 4.201 0.000) 4.201 27.595 ( 0.000 10.283 0.000) 10.283 27.615 ( 0.000 2.356 0.000) 2.356 27.674 ( 0.000 -0.984 0.000) 0.984 27.687 ( 0.000 -4.704 0.000) 4.704 27.705 ( 0.000 16.839 0.000) 16.839 27.721 ( 0.000 -9.799 0.000) 9.799 27.824 ( 0.000 -11.312 0.000) 11.312 28.060 ( 0.000 -15.693 0.000) 15.693 28.401 ( 0.000 11.756 0.000) 11.756 28.491 ( 0.000 2.123 0.000) 2.123 28.551 ( 0.000 0.561 0.000) 0.561 28.666 ( 0.000 -12.439 0.000) 12.439 28.766 ( 0.000 8.607 0.000) 8.607 29.062 ( 0.000 -15.410 0.000) 15.410 29.158 ( 0.000 3.256 0.000) 3.256 29.223 ( 0.000 -2.997 0.000) 2.997 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 32.122 9.733 0.000) 33.564 1.389 ( 20.877 4.376 0.000) 21.331 1.489 ( 1.890 17.040 0.000) 17.145 1.597 ( 2.951 21.809 0.000) 22.008 1.797 ( 1.663 -10.640 0.000) 10.769 1.887 ( -4.566 20.687 0.000) 21.185 2.011 ( 3.519 11.046 0.000) 11.593 2.108 ( -3.918 -8.160 0.000) 9.052 2.196 ( 2.539 -20.432 0.000) 20.590 2.264 ( 4.528 1.813 0.000) 4.878 2.312 ( 1.130 -12.408 0.000) 12.459 2.454 ( 1.147 -9.004 0.000) 9.077 2.526 ( 9.937 1.251 0.000) 10.016 2.655 ( 5.100 -1.078 0.000) 5.213 2.677 ( -5.676 7.253 0.000) 9.210 2.802 ( -9.600 -4.011 0.000) 10.404 2.809 ( 0.688 4.116 0.000) 4.173 2.893 ( -4.868 7.719 0.000) 9.126 3.027 ( -6.021 -10.861 0.000) 12.418 3.036 ( -6.420 -4.588 0.000) 7.891 3.317 ( 5.197 4.232 0.000) 6.703 3.330 ( -3.087 13.114 0.000) 13.472 3.463 ( -1.678 3.249 0.000) 3.657 3.465 ( -1.240 -4.519 0.000) 4.686 3.575 ( 1.079 1.916 0.000) 2.199 3.632 ( -0.372 0.466 0.000) 0.596 3.656 ( -4.388 2.460 0.000) 5.030 3.710 ( 0.474 2.163 0.000) 2.214 3.740 ( 0.874 -2.810 0.000) 2.943 3.756 ( 0.503 3.164 0.000) 3.204 3.819 ( 1.770 -5.691 0.000) 5.960 3.846 ( -2.986 5.659 0.000) 6.399 3.866 ( -1.559 -8.320 0.000) 8.465 3.953 ( -2.466 -4.395 0.000) 5.040 3.988 ( 1.073 4.957 0.000) 5.072 4.049 ( 4.823 9.644 0.000) 10.783 4.118 ( 5.010 -5.796 0.000) 7.661 4.203 ( 4.423 -3.931 0.000) 5.918 4.298 ( -5.541 1.858 0.000) 5.845 4.344 ( -0.829 0.003 0.000) 0.829 4.418 ( 2.771 9.218 0.000) 9.625 4.454 ( -0.498 -1.762 0.000) 1.831 4.522 ( -3.233 -5.957 0.000) 6.777 4.604 ( 2.743 -1.709 0.000) 3.231 4.640 ( 1.437 -6.759 0.000) 6.910 4.671 ( 1.516 -2.165 0.000) 2.643 4.745 ( -2.188 7.057 0.000) 7.388 4.752 ( 3.888 2.985 0.000) 4.902 4.827 ( 1.414 2.282 0.000) 2.685 4.902 ( 3.745 -9.586 0.000) 10.291 4.980 ( 7.123 8.017 0.000) 10.724 5.146 ( 0.605 -0.286 0.000) 0.669 5.190 ( 3.410 -3.746 0.000) 5.066 5.278 ( -6.396 11.157 0.000) 12.860 5.295 ( 3.047 -10.491 0.000) 10.924 5.366 ( 2.281 1.204 0.000) 2.579 5.400 ( 3.350 -2.372 0.000) 4.105 5.455 ( -3.387 -4.945 0.000) 5.993 5.514 ( -0.134 7.896 0.000) 7.898 5.589 ( -2.763 0.633 0.000) 2.834 5.678 ( 3.011 0.402 0.000) 3.038 5.685 ( -3.560 4.476 0.000) 5.719 5.723 ( -4.400 -4.047 0.000) 5.978 5.773 ( -5.527 -3.284 0.000) 6.429 5.898 ( 0.631 2.254 0.000) 2.341 5.919 ( -5.140 0.371 0.000) 5.153 5.954 ( -1.256 -2.231 0.000) 2.560 5.968 ( -2.178 -3.548 0.000) 4.163 6.048 ( -3.347 2.545 0.000) 4.205 6.064 ( -3.556 1.711 0.000) 3.946 6.116 ( -5.122 -2.036 0.000) 5.512 6.129 ( -1.775 -4.343 0.000) 4.692 6.225 ( -3.666 4.033 0.000) 5.450 6.274 ( 1.686 -0.832 0.000) 1.880 6.342 ( -5.470 -0.287 0.000) 5.478 6.400 ( -5.121 -4.539 0.000) 6.843 6.515 ( -0.944 -2.604 0.000) 2.770 6.519 ( -3.265 -2.250 0.000) 3.965 6.521 ( -8.577 0.290 0.000) 8.582 6.550 ( -11.157 -2.497 0.000) 11.433 6.723 ( -4.415 3.082 0.000) 5.384 6.783 ( -5.588 -2.277 0.000) 6.034 6.788 ( -1.236 2.177 0.000) 2.503 6.844 ( -3.952 -2.622 0.000) 4.743 6.875 ( -4.041 0.098 0.000) 4.042 6.876 ( -0.128 3.194 0.000) 3.197 6.879 ( -5.397 2.752 0.000) 6.059 6.883 ( -7.962 -0.428 0.000) 7.974 6.953 ( 1.172 1.986 0.000) 2.306 6.959 ( -1.190 0.406 0.000) 1.258 6.995 ( -3.465 -2.865 0.000) 4.496 7.004 ( -0.287 -1.868 0.000) 1.890 7.145 ( -2.526 0.465 0.000) 2.569 7.165 ( 3.227 2.844 0.000) 4.301 7.168 ( -3.816 -1.537 0.000) 4.114 7.219 ( 0.878 -0.474 0.000) 0.998 7.330 ( 1.372 2.929 0.000) 3.234 7.416 ( 1.630 -1.606 0.000) 2.289 7.469 ( 5.973 4.274 0.000) 7.345 7.523 ( 10.828 -0.517 0.000) 10.840 7.538 ( 8.180 -0.650 0.000) 8.206 7.588 ( 4.809 -4.113 0.000) 6.328 7.605 ( -1.472 3.234 0.000) 3.553 7.691 ( 2.535 -3.164 0.000) 4.055 7.709 ( 12.499 0.367 0.000) 12.504 7.734 ( 14.463 -2.572 0.000) 14.689 7.918 ( 5.084 0.394 0.000) 5.099 7.937 ( 4.238 -0.944 0.000) 4.342 8.006 ( 2.663 2.440 0.000) 3.612 8.049 ( -0.235 6.057 0.000) 6.062 8.076 ( 1.608 -3.404 0.000) 3.764 8.135 ( -0.159 -1.973 0.000) 1.979 8.306 ( -5.129 3.105 0.000) 5.995 8.313 ( -2.880 0.193 0.000) 2.886 8.328 ( -2.094 0.958 0.000) 2.303 8.376 ( -3.289 -5.422 0.000) 6.341 8.522 ( 9.679 2.215 0.000) 9.929 8.570 ( 12.156 -1.984 0.000) 12.316 9.122 ( -4.181 13.176 0.000) 13.823 9.375 ( -3.831 -11.037 0.000) 11.683 15.037 ( -0.029 0.143 0.000) 0.146 15.039 ( -0.011 0.005 0.000) 0.012 15.053 ( -0.414 0.137 0.000) 0.436 15.059 ( -0.180 -0.414 0.000) 0.451 15.086 ( 0.388 2.009 0.000) 2.046 15.136 ( 0.300 -2.578 0.000) 2.595 15.140 ( -0.813 1.053 0.000) 1.331 15.157 ( -0.161 -0.469 0.000) 0.495 15.262 ( -0.113 1.492 0.000) 1.497 15.274 ( -0.659 0.530 0.000) 0.846 15.285 ( -0.660 -0.243 0.000) 0.703 15.294 ( -0.327 -1.471 0.000) 1.507 15.298 ( -0.050 0.122 0.000) 0.132 15.314 ( -0.106 -1.115 0.000) 1.120 15.379 ( -1.145 1.722 0.000) 2.068 15.428 ( -1.461 -2.932 0.000) 3.276 18.729 ( 1.087 0.406 0.000) 1.160 18.739 ( 1.262 -0.565 0.000) 1.382 18.833 ( -0.746 1.096 0.000) 1.326 18.852 ( 0.893 0.798 0.000) 1.198 18.857 ( -1.225 -0.813 0.000) 1.470 18.872 ( 1.172 -1.206 0.000) 1.681 18.903 ( 0.614 1.345 0.000) 1.479 18.943 ( 0.195 -2.178 0.000) 2.187 19.091 ( 0.674 0.325 0.000) 0.748 19.109 ( 0.571 -1.419 0.000) 1.530 19.130 ( 0.188 1.313 0.000) 1.326 19.162 ( 0.327 -1.758 0.000) 1.788 19.237 ( -0.725 -0.007 0.000) 0.725 19.244 ( -0.238 1.586 0.000) 1.604 19.249 ( -0.620 -0.883 0.000) 1.079 19.284 ( -0.821 -2.158 0.000) 2.309 19.326 ( 0.983 1.165 0.000) 1.524 19.346 ( 1.134 -0.856 0.000) 1.421 19.372 ( 1.181 1.232 0.000) 1.706 19.384 ( 1.171 -0.046 0.000) 1.172 19.528 ( -0.079 1.803 0.000) 1.804 19.554 ( -0.123 -0.652 0.000) 0.664 19.577 ( -0.757 1.460 0.000) 1.645 19.602 ( -1.085 -0.895 0.000) 1.406 25.495 ( 0.040 0.132 0.000) 0.138 25.495 ( 0.042 0.145 0.000) 0.151 25.499 ( 0.017 -0.264 0.000) 0.265 25.501 ( 0.002 -0.248 0.000) 0.248 25.508 ( -0.091 -0.080 0.000) 0.121 25.509 ( -0.004 -0.199 0.000) 0.199 25.514 ( -0.046 0.059 0.000) 0.075 25.516 ( 0.025 -0.172 0.000) 0.173 26.855 ( 2.457 1.150 0.000) 2.713 26.890 ( 1.894 -2.380 0.000) 3.042 26.892 ( 3.030 2.476 0.000) 3.913 26.939 ( 1.136 -1.159 0.000) 1.623 27.251 ( -4.124 7.712 0.000) 8.745 27.357 ( 0.048 14.923 0.000) 14.923 27.399 ( -3.837 -4.691 0.000) 6.060 27.515 ( -6.844 3.600 0.000) 7.734 27.517 ( -4.576 8.573 0.000) 9.718 27.573 ( -3.693 -2.087 0.000) 4.241 27.577 ( -1.525 -0.111 0.000) 1.529 27.631 ( -4.307 -0.340 0.000) 4.320 27.673 ( -1.752 -5.122 0.000) 5.414 27.786 ( -2.632 -8.711 0.000) 9.100 27.871 ( 5.702 10.011 0.000) 11.521 28.140 ( 2.868 -14.023 0.000) 14.313 28.338 ( -1.933 14.697 0.000) 14.824 28.520 ( 2.445 3.398 0.000) 4.186 28.595 ( 3.524 0.143 0.000) 3.527 28.625 ( -2.722 -12.029 0.000) 12.333 28.820 ( 5.199 5.283 0.000) 7.412 29.075 ( 1.398 -14.699 0.000) 14.765 29.167 ( 0.230 1.727 0.000) 1.742 29.233 ( 0.248 -4.852 0.000) 4.859 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.117 11.070 0.000) 11.070 1.555 ( -1.556 14.048 0.000) 14.134 1.695 ( 4.722 1.851 0.000) 5.072 1.800 ( 5.337 -8.395 0.000) 9.948 1.903 ( 10.694 8.797 0.000) 13.847 1.935 ( 10.987 23.206 0.000) 25.676 2.077 ( 2.408 8.933 0.000) 9.252 2.250 ( 17.383 -5.340 0.000) 18.185 2.274 ( 4.417 -4.627 0.000) 6.397 2.356 ( 4.438 -14.273 0.000) 14.947 2.376 ( 8.186 0.410 0.000) 8.196 2.451 ( -5.147 5.312 0.000) 7.397 2.559 ( -3.541 -4.348 0.000) 5.607 2.599 ( -7.611 -3.754 0.000) 8.487 2.662 ( -1.203 2.341 0.000) 2.632 2.716 ( 2.042 -0.331 0.000) 2.069 2.822 ( -1.407 5.212 0.000) 5.399 2.896 ( 2.616 -4.454 0.000) 5.166 2.947 ( 5.678 -7.067 0.000) 9.065 2.952 ( -0.544 -5.837 0.000) 5.862 3.251 ( -4.264 13.146 0.000) 13.821 3.378 ( 0.358 3.949 0.000) 3.965 3.436 ( -1.055 -3.241 0.000) 3.408 3.440 ( -0.460 -1.632 0.000) 1.695 3.522 ( -7.257 -1.841 0.000) 7.487 3.544 ( -4.732 -0.895 0.000) 4.816 3.549 ( -6.839 4.543 0.000) 8.211 3.717 ( -5.993 -9.001 0.000) 10.813 3.727 ( 0.055 2.911 0.000) 2.911 3.776 ( -4.325 6.123 0.000) 7.496 3.809 ( 1.362 -3.487 0.000) 3.744 3.860 ( -3.406 -1.870 0.000) 3.885 3.876 ( 6.580 0.469 0.000) 6.597 3.921 ( 8.773 1.192 0.000) 8.854 4.041 ( 4.208 5.446 0.000) 6.882 4.132 ( -0.573 8.934 0.000) 8.952 4.157 ( -1.943 3.552 0.000) 4.048 4.256 ( 7.876 -7.838 0.000) 11.112 4.272 ( -3.928 -2.841 0.000) 4.848 4.339 ( 2.896 -1.789 0.000) 3.404 4.447 ( -0.393 11.250 0.000) 11.257 4.479 ( -1.684 3.953 0.000) 4.297 4.554 ( 7.794 -5.217 0.000) 9.379 4.647 ( 2.243 1.367 0.000) 2.627 4.661 ( -3.039 3.944 0.000) 4.979 4.671 ( 1.858 -9.271 0.000) 9.456 4.717 ( 2.503 -5.986 0.000) 6.489 4.821 ( -2.761 -6.335 0.000) 6.910 4.904 ( 10.265 2.934 0.000) 10.676 5.026 ( 8.477 -6.863 0.000) 10.907 5.073 ( -0.418 2.756 0.000) 2.787 5.123 ( 0.098 -2.523 0.000) 2.525 5.133 ( -6.335 9.539 0.000) 11.451 5.286 ( 3.332 1.166 0.000) 3.530 5.328 ( -8.490 -7.644 0.000) 11.424 5.341 ( -0.804 -2.611 0.000) 2.732 5.379 ( -1.969 5.622 0.000) 5.956 5.415 ( -5.503 5.485 0.000) 7.770 5.455 ( -1.252 -2.017 0.000) 2.374 5.527 ( -7.119 -6.049 0.000) 9.342 5.629 ( -2.702 -0.635 0.000) 2.776 5.633 ( -0.425 9.914 0.000) 9.924 5.658 ( 1.367 -3.030 0.000) 3.324 5.796 ( 5.194 -3.094 0.000) 6.046 5.859 ( -2.656 2.120 0.000) 3.398 5.905 ( -1.919 -1.496 0.000) 2.434 5.905 ( 0.716 1.738 0.000) 1.880 5.957 ( -2.278 -4.780 0.000) 5.295 5.974 ( -2.832 1.639 0.000) 3.272 6.008 ( -3.865 -0.623 0.000) 3.915 6.036 ( -2.149 1.252 0.000) 2.487 6.083 ( -5.884 -0.997 0.000) 5.968 6.167 ( -0.994 5.383 0.000) 5.474 6.175 ( -4.514 1.304 0.000) 4.698 6.285 ( -1.408 -5.282 0.000) 5.466 6.293 ( -0.350 -4.697 0.000) 4.710 6.395 ( -4.105 -2.262 0.000) 4.688 6.398 ( -7.427 3.213 0.000) 8.092 6.413 ( -5.888 -2.559 0.000) 6.420 6.504 ( -2.319 -5.697 0.000) 6.151 6.600 ( -5.425 1.070 0.000) 5.530 6.653 ( -4.279 -3.495 0.000) 5.525 6.668 ( -6.938 0.807 0.000) 6.985 6.709 ( -6.014 -2.485 0.000) 6.507 6.841 ( 1.271 0.883 0.000) 1.547 6.850 ( -0.154 -0.061 0.000) 0.166 6.851 ( 0.001 2.094 0.000) 2.094 6.885 ( 0.033 -0.658 0.000) 0.659 6.944 ( 0.817 3.111 0.000) 3.216 6.987 ( 1.163 2.445 0.000) 2.708 7.007 ( 1.724 -2.716 0.000) 3.217 7.016 ( 0.882 0.157 0.000) 0.896 7.109 ( -1.093 0.182 0.000) 1.108 7.134 ( 0.004 -2.523 0.000) 2.523 7.163 ( -2.122 2.548 0.000) 3.316 7.213 ( -2.099 -2.276 0.000) 3.097 7.404 ( 4.058 6.321 0.000) 7.511 7.468 ( 4.222 -0.230 0.000) 4.228 7.500 ( -1.496 5.664 0.000) 5.859 7.586 ( -1.099 -2.027 0.000) 2.305 7.665 ( 5.416 2.341 0.000) 5.900 7.687 ( 6.702 5.043 0.000) 8.387 7.761 ( 10.767 -6.466 0.000) 12.559 7.800 ( 6.380 -4.728 0.000) 7.941 7.896 ( 5.131 1.881 0.000) 5.465 7.924 ( 5.340 -1.070 0.000) 5.446 8.008 ( 3.285 0.732 0.000) 3.366 8.026 ( 1.559 2.062 0.000) 2.585 8.035 ( 2.892 -0.333 0.000) 2.911 8.051 ( 0.806 4.797 0.000) 4.864 8.083 ( -0.409 -1.407 0.000) 1.465 8.133 ( 0.058 -1.897 0.000) 1.898 8.195 ( -4.735 1.845 0.000) 5.082 8.246 ( -5.131 -2.199 0.000) 5.582 8.247 ( -3.623 -0.274 0.000) 3.633 8.291 ( -5.353 -4.583 0.000) 7.047 8.736 ( 10.628 6.175 0.000) 12.292 8.853 ( 15.098 -4.961 0.000) 15.892 9.026 ( -5.418 12.677 0.000) 13.786 9.274 ( -6.617 -11.167 0.000) 12.980 15.037 ( 0.061 0.104 0.000) 0.121 15.039 ( 0.111 -0.110 0.000) 0.157 15.045 ( -0.375 0.204 0.000) 0.427 15.052 ( -0.465 -0.484 0.000) 0.671 15.096 ( 0.593 1.869 0.000) 1.961 15.124 ( -0.843 1.327 0.000) 1.572 15.142 ( 0.292 -2.433 0.000) 2.450 15.151 ( -0.319 -1.230 0.000) 1.271 15.260 ( -0.057 1.271 0.000) 1.272 15.264 ( -0.311 0.649 0.000) 0.720 15.282 ( 0.185 -0.813 0.000) 0.833 15.288 ( -0.272 -1.243 0.000) 1.273 15.302 ( 0.451 0.162 0.000) 0.479 15.316 ( 0.676 -1.056 0.000) 1.254 15.350 ( -1.730 1.340 0.000) 2.188 15.390 ( -2.318 -2.549 0.000) 3.446 18.756 ( 1.582 0.588 0.000) 1.688 18.769 ( 1.712 -0.655 0.000) 1.833 18.814 ( -1.202 0.796 0.000) 1.442 18.831 ( -1.435 -0.595 0.000) 1.554 18.878 ( 1.582 0.967 0.000) 1.854 18.899 ( 1.491 -1.082 0.000) 1.843 18.910 ( 0.063 1.208 0.000) 1.209 18.943 ( -0.391 -1.664 0.000) 1.709 19.108 ( 1.019 0.200 0.000) 1.038 19.125 ( 1.130 -1.466 0.000) 1.851 19.133 ( 0.060 1.338 0.000) 1.339 19.167 ( -0.044 -1.916 0.000) 1.916 19.223 ( -0.489 0.100 0.000) 0.499 19.236 ( -0.549 1.079 0.000) 1.211 19.237 ( -0.453 -1.054 0.000) 1.147 19.265 ( -1.173 -1.652 0.000) 2.026 19.350 ( 1.470 1.327 0.000) 1.980 19.372 ( 1.394 -0.757 0.000) 1.586 19.390 ( 0.339 1.041 0.000) 1.095 19.396 ( 0.080 0.405 0.000) 0.413 19.529 ( 0.253 1.549 0.000) 1.569 19.552 ( -0.042 -0.554 0.000) 0.555 19.561 ( -0.869 0.913 0.000) 1.260 19.575 ( -1.505 -0.414 0.000) 1.561 25.495 ( -0.018 0.124 0.000) 0.126 25.495 ( -0.014 0.101 0.000) 0.102 25.499 ( -0.010 -0.218 0.000) 0.218 25.501 ( -0.050 -0.269 0.000) 0.273 25.508 ( 0.090 -0.039 0.000) 0.098 25.510 ( 0.130 -0.279 0.000) 0.308 25.513 ( -0.097 0.079 0.000) 0.126 25.516 ( -0.065 -0.207 0.000) 0.216 26.918 ( 3.773 0.805 0.000) 3.858 26.933 ( 2.230 -0.550 0.000) 2.297 26.954 ( 2.507 2.210 0.000) 3.342 26.979 ( 2.342 0.202 0.000) 2.350 27.186 ( -1.678 6.223 0.000) 6.445 27.320 ( -2.822 -5.004 0.000) 5.745 27.349 ( -3.486 8.700 0.000) 9.372 27.373 ( -5.237 6.578 0.000) 8.408 27.427 ( -2.844 6.254 0.000) 6.871 27.473 ( -7.469 -1.836 0.000) 7.691 27.518 ( -1.578 -2.706 0.000) 3.133 27.606 ( -3.432 -7.708 0.000) 8.438 27.647 ( 2.721 9.170 0.000) 9.565 27.804 ( 4.551 -4.458 0.000) 6.371 27.873 ( -4.629 9.697 0.000) 10.745 28.057 ( -7.451 -4.512 0.000) 8.710 28.428 ( 7.057 5.839 0.000) 9.160 28.557 ( 0.697 4.472 0.000) 4.526 28.614 ( 1.633 -8.369 0.000) 8.527 28.650 ( 1.663 -1.175 0.000) 2.036 28.942 ( 6.745 0.777 0.000) 6.790 29.114 ( 2.513 -12.721 0.000) 12.967 29.145 ( -2.689 -0.571 0.000) 2.749 29.216 ( -1.936 -7.384 0.000) 7.634 ======================= Grid point 17 (12/48) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -1.603 12.299 0.000) 12.403 1.513 ( 1.603 12.299 0.000) 12.403 1.769 ( -3.413 -11.199 0.000) 11.708 1.769 ( 3.413 -11.199 0.000) 11.708 2.075 ( -2.989 20.435 0.000) 20.653 2.075 ( 2.989 20.435 0.000) 20.653 2.176 ( -15.576 14.747 0.000) 21.450 2.176 ( 15.576 14.747 0.000) 21.450 2.352 ( -4.561 -7.183 0.000) 8.509 2.352 ( 4.561 -7.183 0.000) 8.509 2.483 ( -6.492 -9.221 0.000) 11.277 2.483 ( 6.492 -9.221 0.000) 11.277 2.583 ( -9.891 -1.209 0.000) 9.965 2.583 ( 9.891 -1.209 0.000) 9.965 2.641 ( -2.562 -7.069 0.000) 7.519 2.641 ( 2.562 -7.069 0.000) 7.519 2.912 ( -10.462 8.152 0.000) 13.263 2.912 ( 10.462 8.152 0.000) 13.263 3.001 ( -0.878 -2.819 0.000) 2.953 3.001 ( 0.878 -2.819 0.000) 2.953 3.300 ( -9.366 -0.101 0.000) 9.366 3.300 ( 9.366 -0.101 0.000) 9.366 3.404 ( -3.811 -3.428 0.000) 5.126 3.404 ( 3.811 -3.428 0.000) 5.126 3.453 ( -0.311 2.206 0.000) 2.228 3.453 ( 0.311 2.206 0.000) 2.228 3.546 ( -6.080 -4.482 0.000) 7.554 3.546 ( 6.080 -4.482 0.000) 7.554 3.729 ( -0.822 4.446 0.000) 4.521 3.729 ( 0.822 4.446 0.000) 4.521 3.834 ( -1.066 -3.696 0.000) 3.846 3.834 ( 1.066 -3.696 0.000) 3.846 4.021 ( -7.390 2.674 0.000) 7.858 4.021 ( 7.390 2.674 0.000) 7.858 4.112 ( -5.667 -4.449 0.000) 7.205 4.112 ( 5.667 -4.449 0.000) 7.205 4.155 ( -9.528 11.165 0.000) 14.678 4.155 ( 9.528 11.165 0.000) 14.678 4.368 ( -1.204 -2.773 0.000) 3.023 4.368 ( 1.204 -2.773 0.000) 3.023 4.424 ( -0.887 12.932 0.000) 12.962 4.424 ( 0.887 12.932 0.000) 12.962 4.654 ( -2.449 1.276 0.000) 2.761 4.654 ( 2.449 1.276 0.000) 2.761 4.704 ( -2.153 -5.235 0.000) 5.661 4.704 ( 2.153 -5.235 0.000) 5.661 4.745 ( -3.044 -15.060 0.000) 15.365 4.745 ( 3.044 -15.060 0.000) 15.365 5.054 ( -3.625 3.338 0.000) 4.928 5.054 ( 3.625 3.338 0.000) 4.928 5.083 ( -0.666 1.520 0.000) 1.659 5.083 ( 0.666 1.520 0.000) 1.659 5.190 ( -8.161 -0.158 0.000) 8.162 5.190 ( 8.161 -0.158 0.000) 8.162 5.272 ( -3.823 -6.182 0.000) 7.269 5.272 ( 3.823 -6.182 0.000) 7.269 5.378 ( -1.936 2.250 0.000) 2.969 5.378 ( 1.936 2.250 0.000) 2.969 5.412 ( -2.402 -0.009 0.000) 2.402 5.412 ( 2.402 -0.009 0.000) 2.402 5.624 ( -1.547 7.222 0.000) 7.386 5.624 ( 1.547 7.222 0.000) 7.386 5.787 ( -7.777 -4.835 0.000) 9.158 5.787 ( 7.777 -4.835 0.000) 9.158 5.863 ( -1.470 0.770 0.000) 1.659 5.863 ( 1.470 0.770 0.000) 1.659 5.884 ( -0.582 -3.408 0.000) 3.457 5.884 ( 0.582 -3.408 0.000) 3.457 5.962 ( -0.654 3.788 0.000) 3.844 5.962 ( 0.654 3.788 0.000) 3.844 6.018 ( -1.505 1.276 0.000) 1.973 6.018 ( 1.505 1.276 0.000) 1.973 6.231 ( -3.376 -2.448 0.000) 4.170 6.231 ( 3.376 -2.448 0.000) 4.170 6.235 ( -3.190 0.700 0.000) 3.266 6.235 ( 3.190 0.700 0.000) 3.266 6.313 ( -1.176 0.258 0.000) 1.204 6.313 ( 1.176 0.258 0.000) 1.204 6.411 ( -4.809 -6.745 0.000) 8.284 6.411 ( 4.809 -6.745 0.000) 8.284 6.585 ( -2.179 0.559 0.000) 2.250 6.585 ( 2.179 0.559 0.000) 2.250 6.633 ( -1.794 -3.330 0.000) 3.782 6.633 ( 1.794 -3.330 0.000) 3.782 6.851 ( -0.152 1.779 0.000) 1.785 6.851 ( 0.152 1.779 0.000) 1.785 6.872 ( -1.294 -0.234 0.000) 1.315 6.872 ( 1.294 -0.234 0.000) 1.315 6.972 ( -1.692 3.577 0.000) 3.957 6.972 ( 1.692 3.577 0.000) 3.957 7.031 ( -0.417 -2.073 0.000) 2.114 7.031 ( 0.417 -2.073 0.000) 2.114 7.116 ( -2.064 1.946 0.000) 2.837 7.116 ( 2.064 1.946 0.000) 2.837 7.161 ( -2.537 -2.488 0.000) 3.553 7.161 ( 2.537 -2.488 0.000) 3.553 7.460 ( -2.329 5.989 0.000) 6.426 7.460 ( 2.329 5.989 0.000) 6.426 7.548 ( -3.095 -2.876 0.000) 4.225 7.548 ( 3.095 -2.876 0.000) 4.225 7.751 ( -1.387 6.662 0.000) 6.805 7.751 ( 1.387 6.662 0.000) 6.805 7.878 ( -0.543 -4.618 0.000) 4.650 7.878 ( 0.543 -4.618 0.000) 4.650 7.953 ( -3.439 2.882 0.000) 4.487 7.953 ( 3.439 2.882 0.000) 4.487 8.009 ( -5.000 -2.515 0.000) 5.597 8.009 ( 5.000 -2.515 0.000) 5.597 8.063 ( -0.361 2.791 0.000) 2.814 8.063 ( 0.361 2.791 0.000) 2.814 8.139 ( -0.806 -0.056 0.000) 0.808 8.139 ( 0.806 -0.056 0.000) 0.808 8.169 ( -6.226 -3.069 0.000) 6.942 8.169 ( 6.226 -3.069 0.000) 6.942 8.201 ( -1.091 -2.034 0.000) 2.308 8.201 ( 1.091 -2.034 0.000) 2.308 8.909 ( -7.182 10.281 0.000) 12.541 8.909 ( 7.182 10.281 0.000) 12.541 9.108 ( -10.879 -8.780 0.000) 13.980 9.108 ( 10.879 -8.780 0.000) 13.980 15.039 ( -0.194 0.105 0.000) 0.221 15.039 ( 0.194 0.105 0.000) 0.221 15.044 ( -0.366 -0.311 0.000) 0.480 15.044 ( 0.366 -0.311 0.000) 0.480 15.109 ( -0.713 1.598 0.000) 1.750 15.109 ( 0.713 1.598 0.000) 1.750 15.147 ( -0.188 -1.947 0.000) 1.956 15.147 ( 0.188 -1.947 0.000) 1.956 15.260 ( -0.101 0.998 0.000) 1.003 15.260 ( 0.101 0.998 0.000) 1.003 15.285 ( -0.081 -1.175 0.000) 1.178 15.285 ( 0.081 -1.175 0.000) 1.178 15.318 ( -1.368 0.832 0.000) 1.601 15.318 ( 1.368 0.832 0.000) 1.601 15.345 ( -2.133 -1.859 0.000) 2.829 15.345 ( 2.133 -1.859 0.000) 2.829 18.787 ( -1.541 0.680 0.000) 1.685 18.787 ( 1.541 0.680 0.000) 1.685 18.802 ( -1.593 -0.628 0.000) 1.712 18.802 ( 1.593 -0.628 0.000) 1.712 18.903 ( -0.873 1.045 0.000) 1.361 18.903 ( 0.873 1.045 0.000) 1.361 18.926 ( -1.237 -1.143 0.000) 1.684 18.926 ( 1.237 -1.143 0.000) 1.684 19.126 ( -0.795 0.730 0.000) 1.080 19.126 ( 0.795 0.730 0.000) 1.080 19.151 ( -1.425 -1.655 0.000) 2.184 19.151 ( 1.425 -1.655 0.000) 2.184 19.225 ( -0.521 0.359 0.000) 0.633 19.225 ( 0.521 0.359 0.000) 0.633 19.242 ( -1.011 -1.197 0.000) 1.567 19.242 ( 1.011 -1.197 0.000) 1.567 19.378 ( -1.240 1.243 0.000) 1.755 19.378 ( 1.240 1.243 0.000) 1.755 19.393 ( -0.614 -0.103 0.000) 0.622 19.393 ( 0.614 -0.103 0.000) 0.622 19.542 ( -1.027 0.864 0.000) 1.342 19.542 ( 1.027 0.864 0.000) 1.342 19.555 ( -0.457 -0.193 0.000) 0.496 19.555 ( 0.457 -0.193 0.000) 0.496 25.495 ( -0.006 0.093 0.000) 0.093 25.495 ( 0.006 0.093 0.000) 0.093 25.499 ( -0.058 -0.246 0.000) 0.253 25.499 ( 0.058 -0.246 0.000) 0.253 25.510 ( -0.156 0.034 0.000) 0.159 25.510 ( 0.156 0.034 0.000) 0.159 25.513 ( -0.168 -0.258 0.000) 0.308 25.513 ( 0.168 -0.258 0.000) 0.308 26.966 ( -1.064 1.499 0.000) 1.838 26.966 ( 1.064 1.499 0.000) 1.838 26.985 ( -2.266 -0.586 0.000) 2.341 26.985 ( 2.266 -0.586 0.000) 2.341 27.217 ( -5.224 5.901 0.000) 7.882 27.217 ( 5.224 5.901 0.000) 7.882 27.335 ( -3.798 -4.344 0.000) 5.770 27.335 ( 3.798 -4.344 0.000) 5.770 27.389 ( -0.658 9.040 0.000) 9.064 27.389 ( 0.658 9.040 0.000) 9.064 27.528 ( -2.727 -3.097 0.000) 4.126 27.528 ( 2.727 -3.097 0.000) 4.126 27.752 ( -6.650 8.464 0.000) 10.763 27.752 ( 6.650 8.464 0.000) 10.763 27.918 ( -6.731 -4.520 0.000) 8.108 27.918 ( 6.731 -4.520 0.000) 8.108 28.533 ( -3.349 4.735 0.000) 5.800 28.533 ( 3.349 4.735 0.000) 5.800 28.652 ( -1.374 -3.962 0.000) 4.194 28.652 ( 1.374 -3.962 0.000) 4.194 29.064 ( -5.533 -1.120 0.000) 5.645 29.064 ( 5.533 -1.120 0.000) 5.645 29.167 ( -2.847 -10.039 0.000) 10.434 29.167 ( 2.847 -10.039 0.000) 10.434 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.000 0.000 29.695) 29.695 0.577 ( 0.000 0.000 30.349) 30.349 0.862 ( 0.000 0.000 18.515) 18.515 1.041 ( 0.000 0.000 53.177) 53.177 1.576 ( 0.000 0.000 15.040) 15.040 1.713 ( 0.000 0.000 -0.711) 0.711 1.913 ( 0.000 0.000 4.959) 4.959 2.058 ( 0.000 0.000 -5.864) 5.864 2.103 ( 0.000 0.000 3.809) 3.809 2.318 ( 0.000 0.000 -3.063) 3.063 2.490 ( 0.000 0.000 -1.413) 1.413 2.506 ( 0.000 0.000 -6.198) 6.198 2.692 ( 0.000 0.000 1.608) 1.608 2.698 ( 0.000 0.000 6.464) 6.464 2.721 ( 0.000 0.000 -12.820) 12.820 2.754 ( 0.000 0.000 0.477) 0.477 3.012 ( 0.000 0.000 -5.470) 5.470 3.028 ( 0.000 0.000 -6.263) 6.263 3.053 ( 0.000 0.000 -16.199) 16.199 3.191 ( 0.000 0.000 -1.076) 1.076 3.192 ( 0.000 0.000 -1.834) 1.834 3.228 ( 0.000 0.000 -2.499) 2.499 3.398 ( 0.000 0.000 -2.394) 2.394 3.505 ( 0.000 0.000 -3.312) 3.312 3.521 ( 0.000 0.000 -0.007) 0.007 3.540 ( 0.000 0.000 -3.692) 3.692 3.616 ( 0.000 0.000 0.080) 0.080 3.620 ( 0.000 0.000 0.319) 0.319 3.636 ( 0.000 0.000 -1.150) 1.150 3.753 ( 0.000 0.000 3.756) 3.756 3.774 ( 0.000 0.000 -3.933) 3.933 3.847 ( 0.000 0.000 4.902) 4.902 3.913 ( 0.000 0.000 0.842) 0.842 3.959 ( 0.000 0.000 -1.063) 1.063 4.016 ( 0.000 0.000 -1.589) 1.589 4.133 ( 0.000 0.000 -0.251) 0.251 4.139 ( 0.000 0.000 0.556) 0.556 4.192 ( 0.000 0.000 7.717) 7.717 4.230 ( 0.000 0.000 0.369) 0.369 4.292 ( 0.000 0.000 3.062) 3.062 4.379 ( 0.000 0.000 2.603) 2.603 4.430 ( 0.000 0.000 2.064) 2.064 4.486 ( 0.000 0.000 5.920) 5.920 4.495 ( 0.000 0.000 11.267) 11.267 4.531 ( 0.000 0.000 -0.312) 0.312 4.674 ( 0.000 0.000 -9.603) 9.603 4.772 ( 0.000 0.000 9.323) 9.323 4.801 ( 0.000 0.000 -7.145) 7.145 4.925 ( 0.000 0.000 0.879) 0.879 4.985 ( 0.000 0.000 -4.078) 4.078 5.041 ( 0.000 0.000 8.620) 8.620 5.061 ( 0.000 0.000 4.199) 4.199 5.201 ( 0.000 0.000 -16.344) 16.344 5.238 ( 0.000 0.000 8.800) 8.800 5.265 ( 0.000 0.000 5.695) 5.695 5.273 ( 0.000 0.000 -2.544) 2.544 5.406 ( 0.000 0.000 3.479) 3.479 5.457 ( 0.000 0.000 -1.738) 1.738 5.548 ( 0.000 0.000 0.980) 0.980 5.571 ( 0.000 0.000 2.779) 2.779 5.609 ( 0.000 0.000 2.223) 2.223 5.696 ( 0.000 0.000 -3.464) 3.464 5.698 ( 0.000 0.000 0.603) 0.603 5.865 ( 0.000 0.000 -14.544) 14.544 5.874 ( 0.000 0.000 2.571) 2.571 5.878 ( 0.000 0.000 -4.008) 4.008 5.935 ( 0.000 0.000 -5.622) 5.622 5.951 ( 0.000 0.000 3.926) 3.926 6.140 ( 0.000 0.000 -10.326) 10.326 6.152 ( 0.000 0.000 -0.505) 0.505 6.243 ( 0.000 0.000 2.965) 2.965 6.275 ( 0.000 0.000 -2.681) 2.681 6.288 ( 0.000 0.000 0.351) 0.351 6.300 ( 0.000 0.000 5.942) 5.942 6.384 ( 0.000 0.000 -0.018) 0.018 6.458 ( 0.000 0.000 4.789) 4.789 6.564 ( 0.000 0.000 -0.276) 0.276 6.575 ( 0.000 0.000 -1.516) 1.516 6.642 ( 0.000 0.000 0.084) 0.084 6.667 ( 0.000 0.000 -3.235) 3.235 6.729 ( 0.000 0.000 -0.819) 0.819 6.739 ( 0.000 0.000 3.377) 3.377 6.776 ( 0.000 0.000 2.097) 2.097 6.788 ( 0.000 0.000 0.658) 0.658 6.834 ( 0.000 0.000 1.629) 1.629 6.856 ( 0.000 0.000 -0.566) 0.566 6.951 ( 0.000 0.000 -2.200) 2.200 6.958 ( 0.000 0.000 0.034) 0.034 6.998 ( 0.000 0.000 -1.484) 1.484 7.023 ( 0.000 0.000 -2.031) 2.031 7.123 ( 0.000 0.000 0.754) 0.754 7.134 ( 0.000 0.000 0.616) 0.616 7.188 ( 0.000 0.000 -2.422) 2.422 7.245 ( 0.000 0.000 2.055) 2.055 7.253 ( 0.000 0.000 1.582) 1.582 7.299 ( 0.000 0.000 1.071) 1.071 7.352 ( 0.000 0.000 -1.385) 1.385 7.354 ( 0.000 0.000 0.101) 0.101 7.356 ( 0.000 0.000 -0.654) 0.654 7.424 ( 0.000 0.000 1.366) 1.366 7.454 ( 0.000 0.000 6.516) 6.516 7.494 ( 0.000 0.000 -2.949) 2.949 7.504 ( 0.000 0.000 -6.075) 6.075 7.601 ( 0.000 0.000 -3.990) 3.990 7.655 ( 0.000 0.000 0.345) 0.345 7.694 ( 0.000 0.000 1.176) 1.176 7.767 ( 0.000 0.000 -0.781) 0.781 7.940 ( 0.000 0.000 6.023) 6.023 7.965 ( 0.000 0.000 0.452) 0.452 7.984 ( 0.000 0.000 -0.084) 0.084 8.011 ( 0.000 0.000 8.254) 8.254 8.021 ( 0.000 0.000 -7.110) 7.110 8.160 ( 0.000 0.000 1.304) 1.304 8.182 ( 0.000 0.000 -3.640) 3.640 8.416 ( 0.000 0.000 -5.435) 5.435 8.417 ( 0.000 0.000 -1.132) 1.132 8.546 ( 0.000 0.000 -2.049) 2.049 8.601 ( 0.000 0.000 -4.702) 4.702 8.811 ( 0.000 0.000 16.895) 16.895 9.952 ( 0.000 0.000 -7.398) 7.398 15.016 ( 0.000 0.000 -0.593) 0.593 15.045 ( 0.000 0.000 -0.092) 0.092 15.055 ( 0.000 0.000 0.335) 0.335 15.073 ( 0.000 0.000 0.694) 0.694 15.098 ( 0.000 0.000 -0.736) 0.736 15.098 ( 0.000 0.000 1.341) 1.341 15.122 ( 0.000 0.000 -2.386) 2.386 15.197 ( 0.000 0.000 -0.322) 0.322 15.243 ( 0.000 0.000 1.208) 1.208 15.276 ( 0.000 0.000 0.630) 0.630 15.280 ( 0.000 0.000 -0.078) 0.078 15.326 ( 0.000 0.000 0.615) 0.615 15.328 ( 0.000 0.000 -0.320) 0.320 15.351 ( 0.000 0.000 -0.643) 0.643 15.365 ( 0.000 0.000 0.985) 0.985 15.514 ( 0.000 0.000 -2.270) 2.270 18.717 ( 0.000 0.000 0.628) 0.628 18.747 ( 0.000 0.000 0.397) 0.397 18.792 ( 0.000 0.000 -0.629) 0.629 18.823 ( 0.000 0.000 0.390) 0.390 18.825 ( 0.000 0.000 -1.271) 1.271 18.854 ( 0.000 0.000 0.235) 0.235 18.910 ( 0.000 0.000 0.202) 0.202 18.994 ( 0.000 0.000 -1.418) 1.418 19.084 ( 0.000 0.000 1.555) 1.555 19.112 ( 0.000 0.000 1.351) 1.351 19.182 ( 0.000 0.000 0.891) 0.891 19.206 ( 0.000 0.000 -0.592) 0.592 19.244 ( 0.000 0.000 -0.368) 0.368 19.267 ( 0.000 0.000 -1.161) 1.161 19.288 ( 0.000 0.000 0.586) 0.586 19.292 ( 0.000 0.000 -0.135) 0.135 19.356 ( 0.000 0.000 0.616) 0.616 19.361 ( 0.000 0.000 0.428) 0.428 19.383 ( 0.000 0.000 -0.172) 0.172 19.389 ( 0.000 0.000 0.778) 0.778 19.450 ( 0.000 0.000 0.335) 0.335 19.508 ( 0.000 0.000 -1.107) 1.107 19.563 ( 0.000 0.000 0.476) 0.476 19.628 ( 0.000 0.000 -0.476) 0.476 25.487 ( 0.000 0.000 -0.610) 0.610 25.496 ( 0.000 0.000 -0.479) 0.479 25.502 ( 0.000 0.000 0.157) 0.157 25.503 ( 0.000 0.000 -0.774) 0.774 25.506 ( 0.000 0.000 -0.276) 0.276 25.507 ( 0.000 0.000 0.210) 0.210 25.513 ( 0.000 0.000 -0.079) 0.079 25.534 ( 0.000 0.000 0.380) 0.380 26.638 ( 0.000 0.000 2.618) 2.618 26.885 ( 0.000 0.000 0.789) 0.789 26.889 ( 0.000 0.000 1.818) 1.818 27.079 ( 0.000 0.000 3.390) 3.390 27.141 ( 0.000 0.000 2.751) 2.751 27.164 ( 0.000 0.000 1.425) 1.425 27.202 ( 0.000 0.000 -6.860) 6.860 27.254 ( 0.000 0.000 1.606) 1.606 27.397 ( 0.000 0.000 2.281) 2.281 27.518 ( 0.000 0.000 2.429) 2.429 27.652 ( 0.000 0.000 5.967) 5.967 27.672 ( 0.000 0.000 6.130) 6.130 27.731 ( 0.000 0.000 -9.625) 9.625 27.984 ( 0.000 0.000 -4.247) 4.247 28.032 ( 0.000 0.000 3.482) 3.482 28.212 ( 0.000 0.000 -3.627) 3.627 28.235 ( 0.000 0.000 10.427) 10.427 28.367 ( 0.000 0.000 -7.434) 7.434 28.627 ( 0.000 0.000 5.702) 5.702 28.711 ( 0.000 0.000 -12.274) 12.274 29.036 ( 0.000 0.000 -1.437) 1.437 29.088 ( 0.000 0.000 5.526) 5.526 29.319 ( 0.000 0.000 -1.263) 1.263 29.368 ( 0.000 0.000 -7.496) 7.496 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 12.490 0.000 23.379) 26.506 0.932 ( 24.068 0.000 22.110) 32.682 0.959 ( 9.254 0.000 17.802) 20.064 1.331 ( 28.925 0.000 33.120) 43.973 1.481 ( -7.075 0.000 14.340) 15.990 1.817 ( 10.445 0.000 -0.037) 10.445 2.004 ( -8.387 0.000 4.605) 9.568 2.072 ( 15.167 0.000 3.254) 15.512 2.197 ( 9.137 0.000 -2.376) 9.441 2.360 ( 4.315 0.000 -3.256) 5.405 2.477 ( -1.061 0.000 0.185) 1.077 2.519 ( 1.434 0.000 -5.894) 6.066 2.611 ( -12.154 0.000 0.602) 12.169 2.668 ( -2.737 0.000 2.158) 3.486 2.721 ( 2.769 0.000 2.233) 3.557 2.722 ( -0.683 0.000 -10.116) 10.139 2.925 ( -5.737 0.000 -7.567) 9.497 3.010 ( -0.406 0.000 -9.934) 9.942 3.023 ( 0.429 0.000 -3.825) 3.849 3.110 ( -6.419 0.000 -0.474) 6.436 3.160 ( -3.401 0.000 0.707) 3.474 3.209 ( -0.419 0.000 0.060) 0.423 3.366 ( -2.643 0.000 1.825) 3.212 3.497 ( -2.627 0.000 -8.671) 9.060 3.527 ( -9.160 0.000 -2.167) 9.413 3.553 ( 1.705 0.000 7.238) 7.436 3.589 ( 5.575 0.000 -2.791) 6.234 3.627 ( 0.848 0.000 -3.270) 3.378 3.692 ( 2.007 0.000 2.827) 3.467 3.696 ( 4.491 0.000 2.606) 5.193 3.762 ( -5.860 0.000 3.597) 6.876 3.877 ( -0.810 0.000 -2.048) 2.203 3.879 ( 5.637 0.000 -4.228) 7.046 4.031 ( 4.404 0.000 0.366) 4.419 4.033 ( -4.182 0.000 -3.306) 5.331 4.058 ( -5.540 0.000 3.567) 6.589 4.152 ( 3.485 0.000 2.750) 4.440 4.218 ( 1.261 0.000 2.710) 2.989 4.261 ( -2.395 0.000 0.044) 2.395 4.327 ( 4.080 0.000 1.473) 4.338 4.423 ( 5.725 0.000 6.471) 8.639 4.452 ( -0.750 0.000 0.264) 0.795 4.504 ( 7.309 0.000 -2.067) 7.596 4.550 ( 2.972 0.000 10.085) 10.514 4.602 ( 2.418 0.000 3.979) 4.656 4.626 ( 0.473 0.000 -4.382) 4.408 4.726 ( -1.213 0.000 6.699) 6.808 4.860 ( 3.559 0.000 -5.634) 6.664 4.901 ( -3.666 0.000 1.294) 3.888 4.960 ( -2.192 0.000 -4.620) 5.113 5.063 ( 1.826 0.000 1.545) 2.392 5.066 ( 0.910 0.000 2.131) 2.317 5.169 ( 1.209 0.000 1.308) 1.781 5.199 ( -2.349 0.000 7.533) 7.890 5.268 ( 1.520 0.000 3.897) 4.183 5.320 ( -1.805 0.000 -5.508) 5.797 5.486 ( 5.860 0.000 3.559) 6.857 5.493 ( 4.541 0.000 -3.947) 6.017 5.546 ( -1.494 0.000 1.990) 2.489 5.547 ( -0.651 0.000 -3.870) 3.924 5.646 ( 1.342 0.000 0.251) 1.365 5.690 ( 2.068 0.000 -1.974) 2.859 5.738 ( -2.316 0.000 -7.596) 7.941 5.833 ( -1.444 0.000 -4.306) 4.542 5.839 ( -4.744 0.000 -4.327) 6.421 5.891 ( -1.114 0.000 -2.240) 2.502 5.905 ( -1.622 0.000 -5.885) 6.105 5.957 ( -8.899 0.000 -2.429) 9.225 6.001 ( 1.120 0.000 -0.681) 1.311 6.120 ( -11.742 0.000 -2.942) 12.105 6.136 ( -1.304 0.000 0.322) 1.343 6.152 ( -6.641 0.000 7.077) 9.705 6.308 ( -2.880 0.000 8.877) 9.333 6.346 ( 3.037 0.000 4.557) 5.476 6.419 ( 3.596 0.000 -11.292) 11.851 6.505 ( 1.938 0.000 1.128) 2.243 6.530 ( -4.199 0.000 -3.021) 5.172 6.553 ( -11.890 0.000 1.921) 12.044 6.592 ( -1.436 0.000 -2.642) 3.007 6.616 ( -4.699 0.000 -2.405) 5.279 6.650 ( 0.369 0.000 1.099) 1.160 6.665 ( -3.529 0.000 0.168) 3.533 6.761 ( -0.989 0.000 0.041) 0.990 6.785 ( -1.439 0.000 -0.047) 1.440 6.792 ( -3.397 0.000 -2.126) 4.008 6.816 ( -4.411 0.000 3.256) 5.482 6.883 ( -7.445 0.000 -0.943) 7.505 6.902 ( -4.719 0.000 -0.402) 4.736 6.930 ( -4.591 0.000 -1.326) 4.779 7.007 ( 4.293 0.000 1.792) 4.652 7.060 ( -0.747 0.000 1.645) 1.807 7.104 ( -1.624 0.000 0.641) 1.746 7.114 ( -7.951 0.000 -0.095) 7.951 7.179 ( -3.586 0.000 1.392) 3.847 7.217 ( 1.203 0.000 0.387) 1.264 7.264 ( -0.393 0.000 1.051) 1.122 7.282 ( -10.121 0.000 0.324) 10.126 7.366 ( 4.021 0.000 3.757) 5.503 7.399 ( 0.435 0.000 -1.791) 1.843 7.456 ( 3.066 0.000 4.907) 5.786 7.493 ( 2.743 0.000 -3.391) 4.361 7.665 ( 5.403 0.000 -2.932) 6.148 7.680 ( 7.985 0.000 -3.185) 8.596 7.693 ( 0.955 0.000 1.144) 1.490 7.714 ( 10.182 0.000 0.562) 10.197 7.789 ( 10.754 0.000 -0.659) 10.774 7.870 ( 9.499 0.000 -7.224) 11.934 7.981 ( 2.150 0.000 0.375) 2.182 7.994 ( 3.278 0.000 4.132) 5.274 8.027 ( 0.745 0.000 -6.171) 6.216 8.041 ( 3.253 0.000 2.626) 4.181 8.131 ( 3.982 0.000 -1.933) 4.426 8.157 ( -1.101 0.000 2.723) 2.937 8.221 ( 5.830 0.000 0.898) 5.899 8.438 ( 1.712 0.000 -2.742) 3.233 8.447 ( -2.450 0.000 -3.965) 4.661 8.579 ( -2.031 0.000 -3.612) 4.143 8.583 ( 12.177 0.000 -1.414) 12.259 8.767 ( -4.207 0.000 15.432) 15.995 9.766 ( -12.249 0.000 -1.639) 12.359 15.021 ( 0.558 0.000 -0.553) 0.786 15.042 ( -0.142 0.000 0.435) 0.458 15.055 ( 0.005 0.000 0.230) 0.231 15.067 ( -0.579 0.000 0.896) 1.067 15.088 ( -0.769 0.000 -0.869) 1.161 15.093 ( -0.284 0.000 0.838) 0.885 15.133 ( 0.944 0.000 -2.112) 2.313 15.197 ( -0.006 0.000 -0.591) 0.591 15.245 ( 0.151 0.000 1.189) 1.199 15.271 ( -0.424 0.000 0.678) 0.800 15.277 ( -0.162 0.000 -0.004) 0.162 15.322 ( -0.552 0.000 -0.271) 0.615 15.323 ( 0.658 0.000 -0.408) 0.774 15.343 ( -0.802 0.000 -0.522) 0.957 15.356 ( -0.816 0.000 0.817) 1.155 15.498 ( -1.580 0.000 -2.232) 2.734 18.726 ( 0.947 0.000 0.598) 1.120 18.760 ( 1.248 0.000 0.410) 1.314 18.801 ( 0.719 0.000 -0.826) 1.095 18.827 ( 0.582 0.000 0.612) 0.845 18.839 ( -0.520 0.000 -0.094) 0.528 18.878 ( 2.226 0.000 -2.003) 2.995 18.908 ( -0.183 0.000 0.160) 0.243 18.987 ( -0.611 0.000 -1.329) 1.462 19.100 ( 1.112 0.000 0.169) 1.125 19.111 ( 0.013 0.000 1.095) 1.096 19.190 ( 0.779 0.000 0.829) 1.138 19.197 ( -0.575 0.000 -0.497) 0.760 19.234 ( -0.678 0.000 -0.727) 0.994 19.275 ( 0.519 0.000 -0.719) 0.887 19.286 ( -0.699 0.000 -0.206) 0.729 19.300 ( 0.954 0.000 0.298) 0.999 19.319 ( -1.680 0.000 3.193) 3.608 19.360 ( -0.230 0.000 -0.265) 0.351 19.381 ( -0.766 0.000 0.957) 1.226 19.385 ( 0.103 0.000 0.610) 0.619 19.457 ( 0.828 0.000 0.350) 0.899 19.500 ( 0.273 0.000 -0.108) 0.294 19.572 ( -0.111 0.000 1.015) 1.021 19.615 ( -1.248 0.000 -0.286) 1.280 25.492 ( 0.230 0.000 -0.511) 0.561 25.498 ( 0.127 0.000 -0.465) 0.482 25.502 ( 0.029 0.000 0.276) 0.278 25.505 ( -0.054 0.000 -0.361) 0.365 25.506 ( -0.102 0.000 0.187) 0.213 25.507 ( 0.383 0.000 -0.674) 0.775 25.512 ( -0.139 0.000 -0.088) 0.165 25.534 ( -0.025 0.000 0.287) 0.288 26.697 ( 5.914 0.000 2.552) 6.441 26.876 ( -0.939 0.000 1.995) 2.205 26.904 ( 2.274 0.000 1.114) 2.532 27.040 ( -2.281 0.000 9.463) 9.734 27.109 ( 0.272 0.000 -0.071) 0.282 27.151 ( -6.036 0.000 1.146) 6.144 27.212 ( 1.601 0.000 2.823) 3.245 27.225 ( 0.375 0.000 -4.598) 4.613 27.407 ( -0.797 0.000 1.043) 1.313 27.533 ( -8.195 0.000 7.098) 10.841 27.556 ( 2.048 0.000 -0.098) 2.050 27.611 ( -5.961 0.000 2.639) 6.519 27.704 ( -2.545 0.000 -7.998) 8.393 27.855 ( -12.134 0.000 -0.007) 12.134 27.868 ( -4.486 0.000 2.487) 5.129 28.108 ( -8.347 0.000 9.411) 12.580 28.379 ( 8.708 0.000 -2.894) 9.176 28.422 ( 5.642 0.000 -5.181) 7.660 28.646 ( 1.678 0.000 5.639) 5.883 28.735 ( -0.451 0.000 -7.629) 7.643 28.979 ( 2.035 0.000 1.857) 2.755 29.210 ( 5.857 0.000 1.223) 5.983 29.380 ( 1.186 0.000 -7.428) 7.522 29.456 ( 5.053 0.000 -8.979) 10.303 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 14.611 0.000 16.241) 21.846 1.186 ( 13.611 0.000 15.917) 20.943 1.358 ( -5.605 0.000 15.196) 16.197 1.365 ( 22.086 0.000 20.526) 30.151 1.781 ( -14.073 0.000 8.953) 16.680 1.904 ( 22.299 0.000 5.418) 22.948 2.089 ( 16.248 0.000 0.255) 16.250 2.233 ( -8.559 0.000 2.533) 8.926 2.334 ( 5.100 0.000 -0.163) 5.103 2.449 ( 1.099 0.000 -2.639) 2.859 2.465 ( 1.654 0.000 0.736) 1.810 2.469 ( 4.183 0.000 4.423) 6.087 2.574 ( 3.984 0.000 -0.422) 4.006 2.600 ( -3.829 0.000 2.466) 4.554 2.705 ( -1.534 0.000 -11.759) 11.858 2.778 ( -7.626 0.000 -7.188) 10.480 2.795 ( 4.478 0.000 -1.924) 4.874 2.956 ( -5.354 0.000 -1.022) 5.450 3.080 ( 5.459 0.000 -9.464) 10.926 3.080 ( 3.102 0.000 -1.130) 3.301 3.118 ( 0.183 0.000 -3.712) 3.716 3.195 ( 0.532 0.000 -2.534) 2.590 3.296 ( -5.179 0.000 7.350) 8.991 3.378 ( -3.932 0.000 -2.789) 4.821 3.513 ( 4.207 0.000 -4.647) 6.269 3.557 ( -9.198 0.000 -0.063) 9.198 3.573 ( -0.377 0.000 10.463) 10.470 3.640 ( 1.068 0.000 -6.544) 6.630 3.745 ( 5.799 0.000 -0.615) 5.832 3.757 ( 1.764 0.000 5.122) 5.417 3.801 ( 7.556 0.000 1.793) 7.766 3.867 ( -5.725 0.000 3.948) 6.954 3.921 ( -2.413 0.000 -2.426) 3.422 3.985 ( 0.869 0.000 1.278) 1.545 3.993 ( 1.558 0.000 -5.522) 5.737 4.098 ( 4.486 0.000 1.674) 4.788 4.125 ( -6.507 0.000 3.222) 7.261 4.161 ( -4.986 0.000 3.479) 6.080 4.247 ( -1.777 0.000 -5.873) 6.136 4.417 ( 2.808 0.000 -2.654) 3.863 4.464 ( 2.393 0.000 -0.558) 2.457 4.469 ( 0.515 0.000 5.490) 5.514 4.546 ( 0.660 0.000 4.075) 4.128 4.624 ( 1.043 0.000 6.199) 6.286 4.686 ( -0.543 0.000 4.267) 4.301 4.694 ( 8.727 0.000 -0.115) 8.728 4.798 ( -1.093 0.000 -4.824) 4.947 4.842 ( 9.318 0.000 4.782) 10.473 4.867 ( -0.918 0.000 0.844) 1.247 4.975 ( 0.946 0.000 -2.676) 2.839 5.087 ( -0.817 0.000 -4.166) 4.246 5.132 ( 7.719 0.000 -2.003) 7.975 5.186 ( 1.836 0.000 2.387) 3.012 5.196 ( -2.771 0.000 1.308) 3.064 5.274 ( 3.539 0.000 6.223) 7.159 5.314 ( 2.086 0.000 0.511) 2.148 5.423 ( -14.161 0.000 -0.372) 14.166 5.503 ( -4.142 0.000 3.636) 5.511 5.550 ( -1.488 0.000 -0.829) 1.704 5.555 ( 2.149 0.000 -4.579) 5.058 5.619 ( -3.100 0.000 -2.046) 3.714 5.639 ( -4.181 0.000 -7.111) 8.249 5.728 ( -5.581 0.000 -5.562) 7.879 5.750 ( -0.173 0.000 -7.597) 7.599 5.816 ( 1.047 0.000 -3.092) 3.264 5.830 ( -5.499 0.000 1.090) 5.606 5.838 ( -5.154 0.000 -1.072) 5.265 5.903 ( 4.927 0.000 0.372) 4.941 5.968 ( -4.521 0.000 1.693) 4.827 5.981 ( -6.172 0.000 5.208) 8.076 6.007 ( 1.032 0.000 -3.388) 3.542 6.214 ( 6.336 0.000 5.155) 8.168 6.232 ( -4.884 0.000 3.143) 5.808 6.305 ( -3.846 0.000 -2.552) 4.616 6.374 ( -4.310 0.000 -4.822) 6.467 6.406 ( -7.722 0.000 -3.555) 8.501 6.436 ( 0.873 0.000 3.700) 3.801 6.545 ( -5.038 0.000 3.025) 5.876 6.580 ( 1.353 0.000 -2.233) 2.611 6.590 ( 3.181 0.000 -1.632) 3.575 6.596 ( -1.933 0.000 -0.874) 2.121 6.665 ( -0.564 0.000 -2.018) 2.096 6.706 ( -3.578 0.000 -0.270) 3.588 6.718 ( -4.790 0.000 0.870) 4.868 6.754 ( -1.516 0.000 -1.123) 1.887 6.756 ( -0.667 0.000 -4.546) 4.594 6.805 ( 1.148 0.000 2.038) 2.339 6.816 ( -3.297 0.000 -1.469) 3.609 6.849 ( -3.398 0.000 -1.794) 3.843 6.972 ( -6.392 0.000 2.765) 6.965 7.050 ( -0.139 0.000 0.807) 0.819 7.082 ( -0.677 0.000 0.701) 0.975 7.108 ( -2.503 0.000 4.535) 5.180 7.134 ( 5.200 0.000 -0.777) 5.257 7.145 ( -4.194 0.000 1.725) 4.535 7.222 ( -0.532 0.000 0.484) 0.720 7.262 ( -0.168 0.000 -0.372) 0.408 7.366 ( -5.291 0.000 -3.610) 6.405 7.443 ( 2.769 0.000 2.672) 3.848 7.509 ( -0.525 0.000 -1.668) 1.749 7.521 ( 6.999 0.000 4.503) 8.322 7.721 ( 2.952 0.000 -1.961) 3.544 7.755 ( 2.990 0.000 -1.546) 3.366 7.790 ( 0.201 0.000 -3.309) 3.315 7.895 ( 6.164 0.000 -2.678) 6.721 7.966 ( 4.896 0.000 -1.399) 5.092 7.998 ( -0.130 0.000 0.046) 0.138 8.015 ( 9.162 0.000 1.136) 9.233 8.030 ( 1.813 0.000 -3.215) 3.691 8.065 ( 2.735 0.000 3.762) 4.651 8.082 ( 0.019 0.000 -3.885) 3.885 8.177 ( 1.912 0.000 2.488) 3.138 8.222 ( 7.354 0.000 10.386) 12.726 8.261 ( -0.906 0.000 -1.442) 1.703 8.351 ( -5.513 0.000 -0.044) 5.513 8.454 ( -1.269 0.000 -0.989) 1.608 8.542 ( -0.642 0.000 -1.728) 1.844 8.669 ( -5.305 0.000 10.202) 11.499 8.936 ( 19.647 0.000 -3.980) 20.046 9.542 ( -11.830 0.000 -4.648) 12.711 15.036 ( 0.884 0.000 -0.310) 0.937 15.042 ( 0.078 0.000 0.483) 0.490 15.056 ( 0.139 0.000 -0.039) 0.145 15.057 ( -0.371 0.000 0.721) 0.811 15.073 ( -0.724 0.000 -0.664) 0.982 15.083 ( -0.811 0.000 0.239) 0.846 15.154 ( 1.176 0.000 -1.957) 2.284 15.193 ( -0.525 0.000 -1.208) 1.317 15.250 ( 0.317 0.000 1.091) 1.136 15.262 ( -0.414 0.000 0.815) 0.914 15.280 ( 0.524 0.000 -0.037) 0.526 15.312 ( -0.262 0.000 -0.073) 0.273 15.322 ( -1.283 0.000 -0.334) 1.326 15.337 ( -1.123 0.000 0.505) 1.232 15.353 ( 2.225 0.000 -1.563) 2.719 15.457 ( -2.606 0.000 -2.143) 3.373 18.751 ( 1.582 0.000 0.661) 1.715 18.788 ( 1.375 0.000 0.313) 1.410 18.810 ( 0.146 0.000 -0.522) 0.542 18.817 ( -1.538 0.000 0.623) 1.660 18.850 ( 1.559 0.000 0.400) 1.610 18.900 ( -0.703 0.000 0.118) 0.713 18.913 ( 1.602 0.000 -1.408) 2.133 18.971 ( -1.136 0.000 -1.187) 1.643 19.112 ( 0.283 0.000 0.844) 0.890 19.117 ( 0.335 0.000 0.006) 0.335 19.194 ( 0.341 0.000 -0.497) 0.603 19.211 ( 1.301 0.000 0.321) 1.340 19.223 ( -0.569 0.000 -0.952) 1.109 19.266 ( -1.272 0.000 -0.331) 1.314 19.285 ( 0.546 0.000 -0.392) 0.672 19.311 ( -0.073 0.000 -0.407) 0.414 19.314 ( 0.804 0.000 2.960) 3.068 19.356 ( 0.125 0.000 -0.032) 0.129 19.362 ( -1.188 0.000 1.589) 1.985 19.381 ( -0.567 0.000 0.891) 1.056 19.486 ( 2.086 0.000 0.400) 2.124 19.514 ( 1.063 0.000 -0.046) 1.064 19.559 ( -1.003 0.000 0.960) 1.388 19.581 ( -2.242 0.000 0.089) 2.244 25.494 ( 0.129 0.000 -0.129) 0.182 25.501 ( 0.209 0.000 -0.373) 0.427 25.502 ( -0.147 0.000 -0.065) 0.161 25.504 ( 0.028 0.000 0.259) 0.261 25.505 ( 0.001 0.000 -0.173) 0.173 25.509 ( -0.183 0.000 -0.144) 0.233 25.516 ( 0.533 0.000 -0.456) 0.702 25.532 ( -0.202 0.000 0.067) 0.212 26.849 ( 8.198 0.000 2.283) 8.510 26.870 ( 1.426 0.000 2.481) 2.862 26.968 ( 3.836 0.000 3.323) 5.075 27.019 ( -5.612 0.000 2.403) 6.104 27.049 ( 3.337 0.000 2.363) 4.089 27.147 ( 3.279 0.000 3.254) 4.620 27.183 ( -4.964 0.000 -0.479) 4.987 27.230 ( -2.558 0.000 2.848) 3.828 27.277 ( -7.129 0.000 2.611) 7.592 27.443 ( -9.694 0.000 2.974) 10.140 27.548 ( -2.344 0.000 -4.491) 5.066 27.560 ( 5.909 0.000 0.312) 5.917 27.617 ( -5.911 0.000 -1.371) 6.067 27.723 ( 0.350 0.000 -3.917) 3.932 27.791 ( -4.524 0.000 -1.677) 4.825 27.933 ( -8.967 0.000 5.485) 10.511 28.524 ( 6.281 0.000 -2.228) 6.664 28.545 ( 6.171 0.000 -1.464) 6.342 28.668 ( 0.094 0.000 4.051) 4.052 28.690 ( -3.008 0.000 -0.775) 3.106 29.096 ( 7.575 0.000 -0.536) 7.594 29.271 ( 0.255 0.000 0.258) 0.363 29.412 ( 2.068 0.000 -7.108) 7.403 29.487 ( -0.725 0.000 -7.071) 7.109 ======================= Grid point 38 (16/48) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -8.872 0.000 14.939) 17.375 1.223 ( 8.872 0.000 14.939) 17.375 1.483 ( -16.033 0.000 12.901) 20.579 1.483 ( 16.033 0.000 12.901) 20.579 1.789 ( -20.956 0.000 11.838) 24.069 1.789 ( 20.956 0.000 11.838) 24.069 2.311 ( -3.496 0.000 -2.591) 4.352 2.311 ( 3.496 0.000 -2.591) 4.352 2.412 ( -3.208 0.000 -0.066) 3.209 2.412 ( 3.208 0.000 -0.066) 3.209 2.497 ( -3.874 0.000 -0.184) 3.878 2.497 ( 3.874 0.000 -0.184) 3.878 2.524 ( -3.894 0.000 1.786) 4.285 2.524 ( 3.894 0.000 1.786) 4.285 2.713 ( -1.233 0.000 -5.866) 5.995 2.713 ( 1.233 0.000 -5.866) 5.995 2.876 ( -3.700 0.000 -3.211) 4.899 2.876 ( 3.700 0.000 -3.211) 4.899 3.118 ( -1.122 0.000 -10.900) 10.957 3.118 ( 1.122 0.000 -10.900) 10.957 3.176 ( -6.269 0.000 2.238) 6.657 3.176 ( 6.269 0.000 2.238) 6.657 3.398 ( -5.473 0.000 1.074) 5.578 3.398 ( 5.473 0.000 1.074) 5.578 3.400 ( -14.577 0.000 2.753) 14.835 3.400 ( 14.577 0.000 2.753) 14.835 3.650 ( -4.172 0.000 -2.617) 4.925 3.650 ( 4.172 0.000 -2.617) 4.925 3.762 ( -3.118 0.000 4.891) 5.800 3.762 ( 3.118 0.000 4.891) 5.800 3.866 ( -4.977 0.000 -1.167) 5.112 3.866 ( 4.977 0.000 -1.167) 5.112 3.959 ( -6.990 0.000 6.938) 9.849 3.959 ( 6.990 0.000 6.938) 9.849 4.006 ( -6.670 0.000 1.699) 6.883 4.006 ( 6.670 0.000 1.699) 6.883 4.113 ( -8.379 0.000 -6.467) 10.584 4.113 ( 8.379 0.000 -6.467) 10.584 4.301 ( -10.224 0.000 1.146) 10.288 4.301 ( 10.224 0.000 1.146) 10.288 4.561 ( -3.982 0.000 0.518) 4.015 4.561 ( 3.982 0.000 0.518) 4.015 4.606 ( -9.140 0.000 -0.894) 9.183 4.606 ( 9.140 0.000 -0.894) 9.183 4.618 ( -1.734 0.000 5.262) 5.541 4.618 ( 1.734 0.000 5.262) 5.541 4.917 ( -4.811 0.000 2.334) 5.347 4.917 ( 4.811 0.000 2.334) 5.347 4.958 ( -9.604 0.000 -4.093) 10.440 4.958 ( 9.604 0.000 -4.093) 10.440 5.103 ( -14.347 0.000 0.598) 14.360 5.103 ( 14.347 0.000 0.598) 14.360 5.270 ( -5.932 0.000 -0.527) 5.956 5.270 ( 5.932 0.000 -0.527) 5.956 5.272 ( -6.182 0.000 3.058) 6.897 5.272 ( 6.182 0.000 3.058) 6.897 5.339 ( -10.642 0.000 -2.343) 10.897 5.339 ( 10.642 0.000 -2.343) 10.897 5.565 ( -4.034 0.000 -3.438) 5.300 5.565 ( 4.034 0.000 -3.438) 5.300 5.565 ( -1.512 0.000 1.275) 1.977 5.565 ( 1.512 0.000 1.275) 1.977 5.715 ( -4.257 0.000 -0.176) 4.260 5.715 ( 4.257 0.000 -0.176) 4.260 5.764 ( -2.424 0.000 -6.594) 7.026 5.764 ( 2.424 0.000 -6.594) 7.026 5.894 ( -4.579 0.000 -1.644) 4.865 5.894 ( 4.579 0.000 -1.644) 4.865 5.918 ( -0.747 0.000 4.672) 4.732 5.918 ( 0.747 0.000 4.672) 4.732 6.128 ( -7.724 0.000 -1.076) 7.799 6.128 ( 7.724 0.000 -1.076) 7.799 6.311 ( -0.746 0.000 -2.638) 2.742 6.311 ( 0.746 0.000 -2.638) 2.742 6.315 ( -1.413 0.000 -0.556) 1.519 6.315 ( 1.413 0.000 -0.556) 1.519 6.434 ( -3.353 0.000 1.792) 3.801 6.434 ( 3.353 0.000 1.792) 3.801 6.603 ( -1.147 0.000 -1.375) 1.790 6.603 ( 1.147 0.000 -1.375) 1.790 6.630 ( -4.233 0.000 2.587) 4.960 6.630 ( 4.233 0.000 2.587) 4.960 6.669 ( -1.940 0.000 -0.546) 2.015 6.669 ( 1.940 0.000 -0.546) 2.015 6.756 ( -1.594 0.000 -1.246) 2.024 6.756 ( 1.594 0.000 -1.246) 2.024 6.790 ( -3.318 0.000 -4.929) 5.942 6.790 ( 3.318 0.000 -4.929) 5.942 6.867 ( -4.275 0.000 3.281) 5.389 6.867 ( 4.275 0.000 3.281) 5.389 7.063 ( -1.927 0.000 3.396) 3.905 7.063 ( 1.927 0.000 3.396) 3.905 7.092 ( -1.692 0.000 0.442) 1.748 7.092 ( 1.692 0.000 0.442) 1.748 7.211 ( -2.234 0.000 -1.859) 2.906 7.211 ( 2.234 0.000 -1.859) 2.906 7.270 ( -2.996 0.000 -1.628) 3.410 7.270 ( 2.996 0.000 -1.628) 3.410 7.484 ( -1.753 0.000 0.451) 1.810 7.484 ( 1.753 0.000 0.451) 1.810 7.684 ( -8.589 0.000 1.899) 8.797 7.684 ( 8.589 0.000 1.899) 8.797 7.773 ( -1.286 0.000 -1.896) 2.291 7.773 ( 1.286 0.000 -1.896) 2.291 7.970 ( -2.411 0.000 -4.453) 5.064 7.970 ( 2.411 0.000 -4.453) 5.064 8.038 ( -3.457 0.000 -2.439) 4.231 8.038 ( 3.457 0.000 -2.439) 4.231 8.084 ( -1.274 0.000 3.290) 3.528 8.084 ( 1.274 0.000 3.290) 3.528 8.172 ( -4.690 0.000 1.365) 4.885 8.172 ( 4.690 0.000 1.365) 4.885 8.258 ( -3.099 0.000 0.106) 3.101 8.258 ( 3.099 0.000 0.106) 3.101 8.369 ( -6.750 0.000 7.019) 9.738 8.369 ( 6.750 0.000 7.019) 9.738 8.579 ( -3.792 0.000 1.782) 4.190 8.579 ( 3.792 0.000 1.782) 4.190 9.280 ( -15.625 0.000 -5.108) 16.439 9.280 ( 15.625 0.000 -5.108) 16.439 15.044 ( -0.130 0.000 0.466) 0.483 15.044 ( 0.130 0.000 0.466) 0.483 15.061 ( -0.436 0.000 -0.356) 0.563 15.061 ( 0.436 0.000 -0.356) 0.563 15.063 ( -1.048 0.000 -0.002) 1.048 15.063 ( 1.048 0.000 -0.002) 1.048 15.177 ( -1.075 0.000 -1.724) 2.032 15.177 ( 1.075 0.000 -1.724) 2.032 15.255 ( -0.301 0.000 0.950) 0.996 15.255 ( 0.301 0.000 0.950) 0.996 15.297 ( -1.175 0.000 -0.137) 1.183 15.297 ( 1.175 0.000 -0.137) 1.183 15.317 ( -0.757 0.000 0.225) 0.789 15.317 ( 0.757 0.000 0.225) 0.789 15.403 ( -2.838 0.000 -1.971) 3.455 15.403 ( 2.838 0.000 -1.971) 3.455 18.784 ( -1.788 0.000 0.738) 1.934 18.784 ( 1.788 0.000 0.738) 1.934 18.807 ( -0.535 0.000 -0.029) 0.536 18.807 ( 0.535 0.000 -0.029) 0.536 18.880 ( -1.399 0.000 0.163) 1.408 18.880 ( 1.399 0.000 0.163) 1.408 18.944 ( -1.545 0.000 -1.127) 1.912 18.944 ( 1.545 0.000 -1.127) 1.912 19.117 ( -0.223 0.000 0.525) 0.571 19.117 ( 0.223 0.000 0.525) 0.571 19.208 ( -0.943 0.000 -0.747) 1.203 19.208 ( 0.943 0.000 -0.747) 1.203 19.238 ( -1.516 0.000 -0.229) 1.533 19.238 ( 1.516 0.000 -0.229) 1.533 19.299 ( -0.896 0.000 -0.558) 1.055 19.299 ( 0.896 0.000 -0.558) 1.055 19.337 ( -1.376 0.000 2.360) 2.732 19.337 ( 1.376 0.000 2.360) 2.732 19.367 ( -0.789 0.000 0.595) 0.988 19.367 ( 0.789 0.000 0.595) 0.988 19.533 ( -2.616 0.000 0.336) 2.638 19.533 ( 2.616 0.000 0.336) 2.638 19.537 ( -1.227 0.000 0.307) 1.265 19.537 ( 1.227 0.000 0.307) 1.265 25.498 ( -0.208 0.000 -0.036) 0.211 25.498 ( 0.208 0.000 -0.036) 0.211 25.505 ( -0.011 0.000 0.039) 0.041 25.505 ( 0.011 0.000 0.039) 0.041 25.505 ( -0.204 0.000 -0.246) 0.320 25.505 ( 0.204 0.000 -0.246) 0.320 25.526 ( -0.441 0.000 -0.197) 0.482 25.526 ( 0.441 0.000 -0.197) 0.482 26.899 ( -2.790 0.000 2.437) 3.704 26.899 ( 2.790 0.000 2.437) 3.704 27.055 ( -5.416 0.000 3.264) 6.324 27.055 ( 5.416 0.000 3.264) 6.324 27.086 ( -10.266 0.000 2.863) 10.658 27.086 ( 10.266 0.000 2.863) 10.658 27.150 ( -4.456 0.000 0.373) 4.472 27.150 ( 4.456 0.000 0.373) 4.472 27.270 ( -7.072 0.000 3.843) 8.049 27.270 ( 7.072 0.000 3.843) 8.049 27.543 ( -2.060 0.000 -3.852) 4.368 27.543 ( 2.060 0.000 -3.852) 4.368 27.685 ( -6.350 0.000 -2.284) 6.749 27.685 ( 6.350 0.000 -2.284) 6.749 27.787 ( -5.689 0.000 0.588) 5.719 27.787 ( 5.689 0.000 0.588) 5.719 28.624 ( -4.117 0.000 -0.369) 4.133 28.624 ( 4.117 0.000 -0.369) 4.133 28.639 ( -3.247 0.000 1.651) 3.642 28.639 ( 3.247 0.000 1.651) 3.642 29.223 ( -4.947 0.000 -0.421) 4.965 29.223 ( 4.947 0.000 -0.421) 4.965 29.455 ( -2.176 0.000 -6.737) 7.080 29.455 ( 2.176 0.000 -6.737) 7.080 ======================= Grid point 42 (17/48) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 14.311 21.329) 25.686 0.872 ( 0.000 22.562 18.138) 28.948 1.219 ( 0.000 13.089 13.463) 18.777 1.480 ( 0.000 14.443 9.536) 17.307 1.565 ( 0.000 16.623 20.460) 26.362 1.798 ( 0.000 6.839 1.771) 7.064 2.066 ( 0.000 13.451 2.814) 13.742 2.077 ( 0.000 -4.668 -1.995) 5.077 2.157 ( 0.000 -4.346 -3.916) 5.850 2.369 ( 0.000 18.272 3.843) 18.671 2.372 ( 0.000 -9.757 -1.709) 9.906 2.496 ( 0.000 -8.342 -4.443) 9.451 2.615 ( 0.000 -5.534 -2.382) 6.025 2.618 ( 0.000 -8.454 -1.278) 8.550 2.728 ( 0.000 4.454 -2.421) 5.070 2.870 ( 0.000 9.772 -7.276) 12.183 2.930 ( 0.000 -8.570 -1.504) 8.701 2.953 ( 0.000 -10.647 -2.703) 10.984 2.994 ( 0.000 -1.826 -1.618) 2.440 3.167 ( 0.000 2.818 -7.839) 8.330 3.229 ( 0.000 2.834 4.280) 5.133 3.252 ( 0.000 3.521 -7.040) 7.871 3.364 ( 0.000 -4.796 1.659) 5.074 3.418 ( 0.000 -5.492 -0.304) 5.500 3.524 ( 0.000 -4.174 -4.535) 6.163 3.561 ( 0.000 1.439 -3.172) 3.483 3.603 ( 0.000 1.307 3.968) 4.178 3.626 ( 0.000 9.120 -5.360) 10.579 3.680 ( 0.000 1.964 -5.740) 6.066 3.765 ( 0.000 3.326 1.709) 3.739 3.803 ( 0.000 -1.163 4.249) 4.405 3.852 ( 0.000 0.212 4.571) 4.576 3.870 ( 0.000 1.590 -4.017) 4.320 4.003 ( 0.000 -0.609 2.417) 2.492 4.036 ( 0.000 1.834 4.106) 4.497 4.149 ( 0.000 0.133 2.979) 2.982 4.180 ( 0.000 4.201 -3.478) 5.454 4.207 ( 0.000 -5.783 7.516) 9.483 4.220 ( 0.000 -0.291 0.606) 0.673 4.254 ( 0.000 4.516 4.543) 6.405 4.438 ( 0.000 7.309 -0.107) 7.310 4.442 ( 0.000 -2.122 -1.418) 2.552 4.520 ( 0.000 -0.724 0.613) 0.948 4.537 ( 0.000 4.339 -0.131) 4.341 4.559 ( 0.000 -2.188 4.202) 4.737 4.726 ( 0.000 5.940 -5.239) 7.921 4.731 ( 0.000 -5.406 -4.446) 6.999 4.804 ( 0.000 -1.435 4.454) 4.679 4.868 ( 0.000 3.885 9.613) 10.368 4.936 ( 0.000 -8.612 4.932) 9.924 4.943 ( 0.000 -4.104 -7.189) 8.278 5.212 ( 0.000 0.874 4.898) 4.975 5.239 ( 0.000 -0.060 2.064) 2.064 5.252 ( 0.000 -2.647 -1.946) 3.286 5.293 ( 0.000 6.167 3.995) 7.348 5.344 ( 0.000 2.303 -0.594) 2.378 5.378 ( 0.000 2.133 2.610) 3.371 5.442 ( 0.000 -4.481 -1.356) 4.682 5.482 ( 0.000 3.413 -8.164) 8.849 5.549 ( 0.000 -3.743 2.263) 4.374 5.634 ( 0.000 1.178 -4.251) 4.411 5.712 ( 0.000 2.610 -6.018) 6.560 5.726 ( 0.000 -1.314 0.363) 1.363 5.812 ( 0.000 -4.777 -0.928) 4.867 5.880 ( 0.000 -0.479 -2.863) 2.903 5.888 ( 0.000 1.449 -11.950) 12.037 5.941 ( 0.000 0.427 -4.829) 4.848 5.985 ( 0.000 1.378 0.920) 1.657 6.109 ( 0.000 -3.034 5.956) 6.685 6.160 ( 0.000 -4.427 -2.570) 5.119 6.185 ( 0.000 -0.628 -3.799) 3.851 6.237 ( 0.000 2.815 1.900) 3.397 6.264 ( 0.000 -1.203 -2.508) 2.781 6.363 ( 0.000 1.656 -2.619) 3.098 6.432 ( 0.000 -3.016 2.762) 4.090 6.460 ( 0.000 2.629 3.779) 4.603 6.532 ( 0.000 -2.485 0.250) 2.497 6.549 ( 0.000 -2.326 -2.083) 3.122 6.595 ( 0.000 -2.369 -4.375) 4.975 6.676 ( 0.000 2.121 0.376) 2.154 6.733 ( 0.000 0.102 1.513) 1.517 6.766 ( 0.000 0.279 1.346) 1.375 6.781 ( 0.000 -2.179 1.499) 2.645 6.829 ( 0.000 3.869 -1.192) 4.049 6.837 ( 0.000 3.457 0.384) 3.478 6.867 ( 0.000 0.886 -3.389) 3.503 6.906 ( 0.000 -3.034 -2.997) 4.264 6.946 ( 0.000 -1.347 0.738) 1.536 6.976 ( 0.000 -2.108 0.850) 2.273 7.052 ( 0.000 3.669 -0.594) 3.717 7.091 ( 0.000 -1.579 3.458) 3.802 7.131 ( 0.000 -0.321 0.772) 0.836 7.180 ( 0.000 -2.396 1.838) 3.020 7.193 ( 0.000 -3.829 1.560) 4.134 7.194 ( 0.000 -0.430 -4.571) 4.591 7.275 ( 0.000 -4.445 0.031) 4.445 7.322 ( 0.000 0.499 -0.260) 0.562 7.367 ( 0.000 -1.876 -2.872) 3.430 7.385 ( 0.000 0.258 0.216) 0.337 7.419 ( 0.000 2.047 0.501) 2.108 7.428 ( 0.000 -0.222 3.467) 3.474 7.502 ( 0.000 2.010 0.884) 2.196 7.571 ( 0.000 2.568 -2.975) 3.930 7.638 ( 0.000 0.858 -1.479) 1.710 7.653 ( 0.000 -0.573 4.383) 4.420 7.697 ( 0.000 0.636 0.716) 0.958 7.824 ( 0.000 3.860 -0.763) 3.934 7.858 ( 0.000 -2.873 -0.428) 2.905 7.958 ( 0.000 1.500 5.112) 5.327 8.013 ( 0.000 0.850 6.275) 6.332 8.070 ( 0.000 3.814 -5.239) 6.480 8.156 ( 0.000 2.780 -0.651) 2.855 8.162 ( 0.000 -0.828 -1.119) 1.392 8.226 ( 0.000 6.548 -2.667) 7.070 8.354 ( 0.000 -5.079 -4.766) 6.965 8.430 ( 0.000 -0.190 -1.481) 1.493 8.463 ( 0.000 0.639 0.329) 0.719 8.750 ( 0.000 -5.440 16.024) 16.922 8.823 ( 0.000 12.832 -6.231) 14.264 9.654 ( 0.000 -16.850 0.897) 16.874 15.023 ( 0.000 0.650 -0.639) 0.911 15.043 ( 0.000 -0.134 0.507) 0.525 15.054 ( 0.000 -0.104 0.315) 0.332 15.063 ( 0.000 -0.980 -0.169) 0.994 15.074 ( 0.000 0.267 0.650) 0.703 15.122 ( 0.000 0.674 -0.347) 0.759 15.127 ( 0.000 0.434 -2.285) 2.326 15.184 ( 0.000 -1.360 -0.078) 1.362 15.252 ( 0.000 0.770 1.178) 1.407 15.278 ( 0.000 0.236 0.599) 0.644 15.285 ( 0.000 0.459 0.012) 0.459 15.318 ( 0.000 -0.821 0.151) 0.834 15.323 ( 0.000 -0.546 0.218) 0.588 15.352 ( 0.000 -1.113 0.924) 1.447 15.358 ( 0.000 0.731 -0.674) 0.994 15.488 ( 0.000 -2.365 -1.950) 3.065 18.716 ( 0.000 0.100 0.469) 0.480 18.741 ( 0.000 -0.536 0.386) 0.660 18.816 ( 0.000 -0.006 -0.801) 0.801 18.830 ( 0.000 1.394 -2.947) 3.260 18.841 ( 0.000 0.679 -0.029) 0.680 18.860 ( 0.000 0.762 0.040) 0.763 18.902 ( 0.000 -0.795 0.212) 0.822 18.975 ( 0.000 -1.683 -1.186) 2.059 19.085 ( 0.000 0.063 1.176) 1.178 19.118 ( 0.000 0.575 1.093) 1.235 19.146 ( 0.000 -2.475 0.735) 2.582 19.210 ( 0.000 -2.737 0.145) 2.741 19.213 ( 0.000 0.772 -0.511) 0.925 19.262 ( 0.000 -0.544 -1.061) 1.192 19.264 ( 0.000 -1.815 -0.024) 1.815 19.295 ( 0.000 -0.209 0.204) 0.292 19.345 ( 0.000 0.560 1.521) 1.621 19.357 ( 0.000 -0.288 0.730) 0.784 19.364 ( 0.000 0.611 0.643) 0.888 19.372 ( 0.000 -1.554 1.936) 2.483 19.485 ( 0.000 2.530 0.322) 2.550 19.542 ( 0.000 2.036 -0.857) 2.209 19.564 ( 0.000 0.022 0.436) 0.437 19.623 ( 0.000 -0.433 -0.462) 0.634 25.487 ( 0.000 0.010 -0.556) 0.556 25.493 ( 0.000 -0.258 -0.368) 0.449 25.497 ( 0.000 -0.296 -0.577) 0.648 25.500 ( 0.000 -0.383 -0.687) 0.786 25.506 ( 0.000 0.182 0.217) 0.283 25.510 ( 0.000 0.201 -0.015) 0.202 25.512 ( 0.000 -0.064 -0.025) 0.069 25.533 ( 0.000 -0.364 0.386) 0.531 26.786 ( 0.000 5.934 0.168) 5.936 26.914 ( 0.000 2.445 3.331) 4.132 26.975 ( 0.000 9.418 -1.373) 9.518 27.009 ( 0.000 -4.869 4.646) 6.730 27.051 ( 0.000 -2.758 4.441) 5.227 27.208 ( 0.000 3.416 0.367) 3.436 27.349 ( 0.000 9.496 -0.860) 9.535 27.353 ( 0.000 10.163 0.132) 10.164 27.477 ( 0.000 6.308 2.799) 6.901 27.518 ( 0.000 -0.333 2.643) 2.664 27.653 ( 0.000 0.177 4.322) 4.325 27.663 ( 0.000 -5.210 -9.044) 10.438 27.722 ( 0.000 2.783 6.139) 6.740 27.957 ( 0.000 -7.163 2.027) 7.444 28.066 ( 0.000 5.343 -2.702) 5.987 28.163 ( 0.000 -5.001 7.532) 9.041 28.304 ( 0.000 -6.790 -5.192) 8.548 28.326 ( 0.000 10.003 -4.246) 10.867 28.577 ( 0.000 -3.118 6.021) 6.781 28.649 ( 0.000 -5.008 -11.462) 12.509 28.980 ( 0.000 -8.423 5.868) 10.265 29.064 ( 0.000 2.184 -2.637) 3.423 29.236 ( 0.000 -4.552 -3.320) 5.633 29.267 ( 0.000 -9.394 -7.023) 11.729 ======================= Grid point 43 (18/48) ======================= q-point: ( 0.17 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 16.452 20.693 12.884) 29.409 1.154 ( 24.851 16.890 12.091) 32.389 1.274 ( 5.088 15.209 7.914) 17.883 1.474 ( -1.658 3.639 10.014) 10.783 1.598 ( 9.676 22.383 27.818) 36.992 1.849 ( 5.676 4.550 3.198) 7.946 2.111 ( 1.159 -10.220 2.125) 10.503 2.143 ( 7.202 8.950 0.453) 11.497 2.243 ( 5.301 7.103 -3.728) 9.615 2.320 ( 0.774 3.995 3.343) 5.266 2.350 ( -1.505 -8.232 0.058) 8.369 2.534 ( 3.049 -4.775 -3.445) 6.631 2.577 ( -4.256 -2.050 -1.563) 4.976 2.618 ( 0.505 -2.084 -0.972) 2.354 2.740 ( -0.375 -3.923 -4.344) 5.865 2.775 ( -6.710 6.416 -0.278) 9.288 2.875 ( -5.879 -0.432 -8.034) 9.965 2.954 ( 1.854 -10.275 0.429) 10.450 2.973 ( 0.304 -0.341 -1.378) 1.452 3.141 ( -4.946 1.329 1.149) 5.249 3.154 ( -1.083 5.789 -5.818) 8.279 3.284 ( -4.179 0.765 3.147) 5.287 3.308 ( -2.580 -0.637 -1.666) 3.137 3.441 ( 3.168 -4.751 -7.769) 9.642 3.521 ( -2.592 0.987 -4.835) 5.574 3.569 ( 2.565 -0.840 0.788) 2.811 3.623 ( 0.755 -0.088 -1.727) 1.887 3.660 ( 1.167 3.080 -1.152) 3.489 3.691 ( -1.760 3.382 -1.407) 4.064 3.759 ( 2.171 1.405 -0.995) 2.771 3.801 ( -0.462 0.921 0.845) 1.332 3.842 ( -0.509 5.517 9.142) 10.690 3.905 ( 3.124 -0.315 -3.138) 4.439 3.936 ( 0.040 -1.353 2.141) 2.533 4.043 ( -2.664 -1.060 -1.041) 3.050 4.141 ( -2.319 3.556 -1.551) 4.520 4.158 ( -0.082 -1.872 4.933) 5.277 4.230 ( 0.181 -0.453 1.526) 1.602 4.239 ( -0.369 -1.406 5.366) 5.560 4.342 ( 4.532 1.672 1.232) 4.985 4.415 ( 4.825 -0.807 5.833) 7.613 4.462 ( 1.120 6.013 0.067) 6.117 4.540 ( -1.230 -3.248 -0.863) 3.579 4.551 ( 3.536 0.693 -0.915) 3.717 4.592 ( 0.069 -2.320 -4.110) 4.721 4.707 ( 2.749 8.748 3.915) 9.970 4.767 ( 1.457 -0.243 1.418) 2.047 4.821 ( -0.931 0.902 7.221) 7.337 4.867 ( 3.047 -0.006 -3.143) 4.378 4.946 ( 0.344 -5.069 -1.403) 5.271 4.961 ( 4.180 -6.409 -0.459) 7.666 5.122 ( -5.193 2.402 2.470) 6.232 5.232 ( -0.144 -0.356 2.481) 2.510 5.263 ( -0.786 -0.005 -0.215) 0.815 5.296 ( -1.956 5.812 -0.730) 6.175 5.356 ( -0.069 6.252 4.366) 7.626 5.424 ( 3.835 -3.223 2.680) 5.681 5.464 ( 2.250 -4.408 -2.967) 5.770 5.504 ( 4.038 -0.791 -5.044) 6.510 5.561 ( -1.405 -3.100 1.385) 3.675 5.609 ( -5.870 1.486 -2.266) 6.465 5.676 ( 2.970 -0.893 -1.499) 3.445 5.726 ( 0.949 -1.158 -5.159) 5.372 5.775 ( -4.190 -3.816 -7.798) 9.640 5.842 ( -3.738 -1.300 -5.202) 6.536 5.892 ( -2.455 -1.396 -5.754) 6.410 5.908 ( -4.157 -0.331 -2.159) 4.696 5.995 ( -1.489 -0.714 0.825) 1.846 6.008 ( -5.526 3.579 1.377) 6.726 6.050 ( -7.237 -0.354 -2.966) 7.829 6.138 ( -3.512 -0.566 0.784) 3.643 6.210 ( -2.402 1.837 3.556) 4.667 6.295 ( -1.151 -1.733 4.751) 5.186 6.342 ( -1.043 0.233 8.040) 8.111 6.420 ( 0.843 -2.555 -8.811) 9.212 6.453 ( -2.229 -2.893 0.344) 3.668 6.490 ( -3.249 -2.295 -0.058) 3.978 6.556 ( -1.960 -0.373 -3.275) 3.835 6.567 ( -7.613 -1.838 0.498) 7.847 6.593 ( -3.246 -0.108 -0.424) 3.275 6.650 ( -8.934 -2.608 2.473) 9.630 6.708 ( 0.442 3.555 -2.230) 4.220 6.774 ( -4.707 0.940 -2.441) 5.385 6.798 ( -0.745 1.098 -0.623) 1.466 6.819 ( -2.227 1.122 -1.229) 2.780 6.828 ( -3.209 1.132 -0.597) 3.455 6.867 ( -4.176 -0.319 -2.786) 5.030 6.897 ( -6.957 0.371 -0.022) 6.967 6.912 ( -3.967 -1.772 -0.818) 4.421 6.998 ( 0.035 -3.137 2.058) 3.752 7.028 ( 0.183 -1.638 0.951) 1.903 7.058 ( -6.837 -2.834 0.521) 7.419 7.114 ( 0.861 2.549 -1.843) 3.261 7.190 ( 2.270 -0.851 2.427) 3.431 7.212 ( -3.220 -0.099 0.907) 3.346 7.215 ( -3.207 -2.223 0.996) 4.027 7.326 ( -0.042 -1.007 0.076) 1.011 7.374 ( 1.373 1.271 1.543) 2.425 7.417 ( -0.002 5.413 -1.248) 5.555 7.483 ( 3.088 3.709 5.144) 7.053 7.551 ( 6.126 1.199 -2.288) 6.649 7.629 ( 7.531 -3.592 -0.272) 8.349 7.669 ( 2.954 0.315 -1.212) 3.209 7.692 ( 3.409 0.256 -0.274) 3.430 7.728 ( 10.735 0.043 -0.460) 10.745 7.779 ( 8.833 -0.458 -1.437) 8.961 7.866 ( 7.915 0.680 -0.458) 7.957 7.948 ( 3.648 -2.623 -2.311) 5.053 8.000 ( 2.878 0.404 2.366) 3.747 8.028 ( 1.723 1.082 5.800) 6.146 8.083 ( 1.448 2.667 -3.341) 4.514 8.151 ( -0.716 0.411 1.102) 1.377 8.233 ( 1.610 4.524 -1.482) 5.025 8.260 ( 3.777 3.867 2.157) 5.820 8.345 ( -1.552 -4.812 -2.530) 5.654 8.453 ( 2.442 1.287 -1.446) 3.116 8.557 ( 12.233 -1.467 -2.451) 12.562 8.695 ( -4.816 -2.840 11.724) 12.989 8.792 ( -2.710 10.436 -3.036) 11.202 9.582 ( -6.269 -13.252 -2.043) 14.802 15.027 ( 0.404 0.516 -0.556) 0.860 15.042 ( -0.051 -0.038 0.548) 0.551 15.054 ( -0.039 -0.162 0.290) 0.335 15.058 ( -0.305 -0.589 0.071) 0.667 15.077 ( 0.030 0.054 0.469) 0.473 15.107 ( -0.827 0.678 -0.967) 1.441 15.139 ( 0.606 0.267 -1.719) 1.842 15.182 ( -0.184 -1.454 -0.365) 1.511 15.251 ( -0.007 0.674 1.119) 1.306 15.273 ( -0.461 0.191 0.669) 0.835 15.282 ( -0.204 0.390 0.101) 0.451 15.309 ( -0.327 -0.747 0.048) 0.817 15.320 ( -0.105 -0.641 0.007) 0.650 15.345 ( -0.723 -0.962 0.661) 1.373 15.350 ( -0.838 0.591 -0.515) 1.147 15.472 ( -1.573 -2.338 -1.912) 3.405 18.726 ( 1.004 0.135 0.489) 1.125 18.754 ( 1.278 -0.528 0.368) 1.431 18.808 ( -0.037 0.413 -0.945) 1.032 18.838 ( 0.404 0.745 0.027) 0.848 18.850 ( -0.455 0.800 -0.189) 0.939 18.873 ( 1.675 -0.413 -1.538) 2.311 18.903 ( 0.103 -0.519 0.099) 0.539 18.972 ( -0.318 -1.383 -1.175) 1.843 19.096 ( 0.894 -0.269 0.506) 1.062 19.118 ( 0.000 0.600 0.934) 1.111 19.152 ( 0.575 -2.498 0.617) 2.637 19.201 ( -0.339 -1.006 -0.154) 1.073 19.216 ( -0.053 -0.312 -0.566) 0.649 19.256 ( -0.728 -1.634 -0.162) 1.796 19.259 ( -0.265 -1.072 -0.719) 1.318 19.298 ( 0.072 -0.770 -0.238) 0.809 19.344 ( -0.274 1.072 1.823) 2.132 19.350 ( 0.364 0.688 0.885) 1.179 19.371 ( 1.068 -0.295 1.017) 1.504 19.393 ( 0.684 0.094 1.055) 1.261 19.486 ( 0.243 2.274 0.333) 2.311 19.533 ( -0.360 2.028 -0.563) 2.135 19.570 ( 0.025 -0.104 0.775) 0.782 19.612 ( -1.191 -0.376 -0.308) 1.286 25.490 ( 0.245 -0.050 -0.440) 0.506 25.492 ( 0.010 -0.290 -0.315) 0.428 25.499 ( 0.132 -0.310 -0.537) 0.634 25.501 ( 0.197 -0.323 -0.429) 0.572 25.507 ( 0.083 0.098 0.058) 0.141 25.510 ( -0.070 0.202 -0.066) 0.224 25.511 ( -0.112 -0.033 -0.031) 0.121 25.531 ( -0.168 -0.369 0.350) 0.536 26.816 ( 3.157 6.485 1.148) 7.304 26.913 ( -0.788 4.082 1.814) 4.536 26.940 ( 1.005 2.498 4.303) 5.076 26.994 ( -1.335 -2.739 5.873) 6.616 27.107 ( 3.949 2.390 2.717) 5.356 27.190 ( -1.958 4.248 1.368) 4.873 27.293 ( -3.745 7.422 -1.687) 8.482 27.352 ( -0.338 7.833 0.163) 7.842 27.483 ( -0.527 5.065 1.072) 5.205 27.545 ( -2.344 -1.606 1.793) 3.360 27.585 ( -4.082 2.343 1.615) 4.975 27.621 ( -7.472 2.206 3.625) 8.593 27.651 ( -1.147 -1.742 -7.761) 8.037 27.843 ( -9.404 -2.502 0.822) 9.766 28.002 ( -4.920 10.544 -2.672) 11.938 28.060 ( -7.259 -4.442 9.374) 12.660 28.344 ( 5.071 -6.774 -4.223) 9.457 28.424 ( 7.047 4.273 -3.625) 9.003 28.595 ( 1.505 -2.897 4.916) 5.901 28.702 ( 2.684 -3.807 -6.797) 8.239 28.941 ( 0.805 -4.255 3.263) 5.422 29.154 ( 5.033 -3.587 -0.996) 6.260 29.277 ( 1.117 -9.598 -6.819) 11.827 29.322 ( 4.710 -8.586 -5.595) 11.279 ======================= Grid point 44 (19/48) ======================= q-point: ( 0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 5.491 20.448 11.057) 23.886 1.342 ( 15.968 16.313 9.602) 24.765 1.434 ( -1.555 5.998 12.581) 14.024 1.558 ( 15.114 17.199 12.968) 26.314 1.900 ( -1.483 9.729 9.192) 13.466 1.959 ( 11.612 3.484 7.292) 14.148 2.101 ( 3.320 -6.712 4.862) 8.928 2.224 ( 1.338 3.294 -2.455) 4.320 2.301 ( -1.218 -0.274 0.460) 1.330 2.394 ( 0.459 -0.845 4.418) 4.522 2.417 ( 6.736 1.036 -0.522) 6.835 2.521 ( 5.824 -4.772 1.306) 7.641 2.584 ( 2.073 -0.441 0.522) 2.183 2.649 ( -0.063 1.701 -2.673) 3.169 2.678 ( -0.301 -6.111 -2.637) 6.662 2.743 ( -0.632 4.084 -6.005) 7.290 2.769 ( -3.354 -2.011 -3.850) 5.488 2.932 ( -4.856 1.316 -1.387) 5.219 3.023 ( 3.192 -6.946 -2.395) 8.011 3.097 ( 2.495 1.010 -4.262) 5.041 3.148 ( -1.502 -2.610 5.047) 5.877 3.218 ( 1.528 6.964 -3.408) 7.903 3.252 ( -1.590 1.732 -3.608) 4.306 3.446 ( -3.010 2.640 -3.717) 5.463 3.505 ( -9.470 -3.361 -1.974) 10.241 3.533 ( 4.714 -5.270 -2.412) 7.471 3.607 ( -1.770 4.727 2.101) 5.467 3.694 ( 2.926 -2.120 -2.182) 4.221 3.707 ( 2.163 4.305 3.630) 6.032 3.779 ( -0.218 -2.959 0.754) 3.062 3.822 ( 2.874 4.992 0.741) 5.807 3.870 ( 1.254 1.189 1.917) 2.581 3.876 ( -4.203 -1.282 -0.954) 4.496 3.990 ( 0.891 -0.033 1.309) 1.584 4.022 ( 1.704 3.212 0.875) 3.739 4.087 ( -1.755 0.279 3.347) 3.790 4.150 ( 0.281 0.059 3.943) 3.954 4.209 ( -2.061 4.481 0.173) 4.935 4.250 ( 2.585 -1.466 1.701) 3.424 4.363 ( -0.266 -1.922 -0.950) 2.160 4.427 ( -5.614 -0.215 4.264) 7.053 4.455 ( -5.113 0.889 2.223) 5.646 4.569 ( 1.860 -1.503 0.335) 2.414 4.617 ( 7.180 1.579 -0.274) 7.356 4.646 ( 3.544 -2.649 -1.657) 4.724 4.791 ( 4.748 3.166 1.739) 5.966 4.815 ( 2.815 0.126 0.388) 2.845 4.840 ( 7.297 1.440 2.347) 7.799 4.941 ( -0.846 1.960 -1.657) 2.702 4.978 ( 2.850 1.672 -1.933) 3.828 5.041 ( 2.373 -1.304 -3.452) 4.388 5.089 ( 4.143 -7.355 2.291) 8.747 5.193 ( -1.416 1.787 -1.458) 2.706 5.260 ( -2.999 2.103 2.150) 4.247 5.286 ( 0.094 2.181 0.864) 2.348 5.322 ( 0.339 2.057 2.724) 3.430 5.390 ( -8.323 -2.006 -0.739) 8.593 5.473 ( -5.275 -2.465 3.857) 6.984 5.503 ( 0.164 -3.129 -3.112) 4.416 5.532 ( -2.018 -3.077 1.787) 4.090 5.592 ( -0.014 -1.132 -4.995) 5.122 5.631 ( -5.097 -3.045 -4.519) 7.462 5.692 ( -1.569 -1.103 -6.130) 6.423 5.767 ( -3.325 0.139 -3.837) 5.079 5.790 ( -1.257 -0.176 -7.996) 8.096 5.814 ( -1.406 -0.040 -1.151) 1.817 5.862 ( -3.606 0.893 -0.088) 3.716 5.889 ( 5.248 -0.985 0.284) 5.348 5.960 ( -2.306 -0.271 -0.346) 2.347 6.003 ( -5.279 1.374 2.125) 5.855 6.028 ( -3.108 1.813 -1.533) 3.911 6.199 ( 1.309 0.857 3.721) 4.036 6.234 ( -3.896 -2.503 5.317) 7.051 6.310 ( -7.155 -2.384 0.243) 7.545 6.343 ( -4.099 -3.568 4.326) 6.946 6.354 ( -4.065 -0.843 -1.157) 4.309 6.404 ( -4.646 -2.275 -1.228) 5.317 6.462 ( -3.885 -3.561 0.267) 5.277 6.522 ( -0.048 -5.560 0.412) 5.575 6.567 ( 1.441 -0.244 -1.613) 2.176 6.574 ( -0.097 -1.679 -0.048) 1.683 6.692 ( -1.397 -2.527 -3.950) 4.893 6.698 ( -4.287 -0.191 -1.327) 4.492 6.726 ( -3.286 -0.870 -2.306) 4.107 6.745 ( -4.391 1.723 1.902) 5.086 6.781 ( -3.516 1.845 -3.169) 5.080 6.822 ( -0.017 0.610 -0.964) 1.141 6.838 ( 1.434 3.170 -1.275) 3.706 6.885 ( 0.776 1.469 -0.613) 1.771 6.977 ( -2.036 -0.174 1.743) 2.686 7.007 ( 1.176 -1.600 0.373) 2.021 7.066 ( 0.074 -1.647 -0.395) 1.695 7.107 ( -1.552 0.362 -1.751) 2.368 7.138 ( -2.919 1.493 2.320) 4.016 7.182 ( 0.310 -1.877 -1.023) 2.160 7.237 ( 1.068 -0.099 -1.630) 1.952 7.293 ( -1.797 2.494 2.020) 3.679 7.377 ( -2.396 6.866 2.166) 7.588 7.444 ( 3.541 0.411 2.449) 4.325 7.544 ( 0.861 1.581 -2.463) 3.051 7.591 ( 1.750 4.812 -0.353) 5.132 7.667 ( 1.142 -2.898 -2.092) 3.752 7.807 ( 4.490 3.639 -0.943) 5.855 7.813 ( 6.441 -2.757 -3.325) 7.756 7.844 ( 4.234 -0.048 -1.843) 4.618 7.950 ( 2.265 -1.962 -3.131) 4.334 7.988 ( 6.059 -1.180 -0.596) 6.202 8.014 ( 4.901 1.808 2.238) 5.683 8.049 ( 1.631 1.631 0.756) 2.428 8.067 ( 2.220 0.862 5.223) 5.740 8.131 ( -0.538 2.561 -0.685) 2.705 8.163 ( 5.228 -1.452 5.066) 7.423 8.249 ( -0.328 1.748 7.450) 7.660 8.257 ( -0.471 -0.994 0.266) 1.132 8.297 ( -3.226 -2.067 0.774) 3.909 8.490 ( -2.279 0.815 4.068) 4.733 8.611 ( -0.392 1.026 2.549) 2.775 8.710 ( -2.657 8.689 -3.950) 9.908 8.904 ( 17.240 -2.823 -3.690) 17.855 9.433 ( -9.302 -9.335 -5.382) 14.235 15.037 ( 0.570 0.101 -0.230) 0.623 15.042 ( 0.044 -0.011 0.533) 0.535 15.051 ( -0.217 -0.348 0.519) 0.661 15.056 ( -0.005 -0.259 -0.369) 0.451 15.073 ( -0.249 0.445 0.131) 0.526 15.092 ( -0.754 0.704 -0.597) 1.192 15.151 ( 0.658 -0.419 -1.806) 1.967 15.177 ( -0.429 -1.523 -1.103) 1.929 15.253 ( 0.150 0.408 1.002) 1.093 15.264 ( -0.413 0.178 0.804) 0.921 15.284 ( 0.500 0.314 0.059) 0.594 15.305 ( -0.146 -0.635 -0.032) 0.652 15.325 ( -0.660 -0.820 0.310) 1.097 15.328 ( -1.104 0.260 -0.298) 1.173 15.337 ( 1.190 -1.116 -0.666) 1.762 15.431 ( -2.548 -2.241 -1.745) 3.816 18.752 ( 1.564 0.165 0.564) 1.671 18.783 ( 1.522 -0.438 0.265) 1.606 18.805 ( -0.512 -0.011 -0.087) 0.519 18.827 ( -1.108 0.451 -0.163) 1.207 18.860 ( 1.338 0.850 0.257) 1.606 18.896 ( 0.121 -0.254 -0.331) 0.435 18.909 ( 1.086 -0.442 -0.867) 1.458 18.961 ( -0.920 -0.920 -1.083) 1.693 19.112 ( 0.711 -0.199 0.270) 0.786 19.119 ( 0.164 0.525 0.641) 0.845 19.166 ( 0.915 -2.301 0.275) 2.492 19.200 ( 0.069 -1.073 -0.516) 1.193 19.215 ( 0.034 -0.067 -0.736) 0.740 19.237 ( -1.067 -1.681 -0.138) 1.996 19.256 ( 0.068 -1.584 -0.532) 1.673 19.289 ( -0.983 -1.775 -0.831) 2.193 19.348 ( 0.758 1.349 2.083) 2.595 19.365 ( 0.776 2.075 1.053) 2.453 19.388 ( 0.414 0.815 1.098) 1.428 19.395 ( -0.224 0.901 1.263) 1.568 19.499 ( 1.206 1.283 0.323) 1.790 19.533 ( 0.346 1.311 -0.273) 1.383 19.562 ( -0.740 0.128 0.715) 1.037 19.579 ( -2.088 -0.165 0.002) 2.095 25.493 ( 0.080 -0.234 -0.153) 0.290 25.495 ( 0.118 -0.100 -0.259) 0.302 25.501 ( 0.055 -0.273 -0.311) 0.417 25.504 ( -0.025 -0.071 0.133) 0.153 25.508 ( -0.032 0.066 -0.099) 0.123 25.509 ( -0.052 0.126 -0.113) 0.177 25.512 ( 0.396 -0.304 -0.390) 0.634 25.527 ( -0.270 -0.439 0.148) 0.536 26.905 ( 4.977 4.032 2.449) 6.858 26.932 ( 2.348 4.582 3.095) 6.007 26.972 ( 2.255 1.561 3.086) 4.128 26.996 ( 1.449 -0.314 5.258) 5.463 27.150 ( -0.083 4.305 3.564) 5.590 27.174 ( 1.590 3.903 2.570) 4.936 27.232 ( -3.105 4.884 -1.908) 6.094 27.316 ( -6.046 6.934 2.773) 9.609 27.339 ( -6.408 4.736 1.925) 8.198 27.478 ( -4.840 3.715 0.304) 6.109 27.506 ( -4.189 -2.349 -1.295) 4.975 27.565 ( -1.120 -1.877 -0.904) 2.365 27.652 ( 0.803 3.241 -2.140) 3.966 27.689 ( -3.242 0.582 -3.083) 4.511 27.902 ( -5.863 0.140 0.298) 5.872 27.929 ( -5.130 5.696 -0.355) 7.673 28.461 ( 6.004 -4.664 -0.923) 7.658 28.550 ( 4.875 0.092 -0.273) 4.883 28.616 ( 0.935 -1.613 1.525) 2.409 28.712 ( -0.989 -0.545 -0.096) 1.133 29.034 ( 6.861 -5.418 -0.049) 8.742 29.205 ( -0.086 -5.384 -0.793) 5.442 29.306 ( 1.864 -9.621 -6.381) 11.694 29.364 ( 0.028 -9.673 -5.593) 11.174 ======================= Grid point 45 (20/48) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -2.796 10.904 13.467) 17.552 1.398 ( 2.796 10.904 13.467) 17.552 1.641 ( -12.366 16.220 6.694) 21.467 1.641 ( 12.366 16.220 6.694) 21.467 1.918 ( -13.934 10.132 12.026) 21.010 1.918 ( 13.934 10.132 12.026) 21.010 2.146 ( -3.128 -8.897 1.137) 9.499 2.146 ( 3.128 -8.897 1.137) 9.499 2.435 ( -9.630 -2.220 -0.646) 9.904 2.435 ( 9.630 -2.220 -0.646) 9.904 2.512 ( -3.643 -0.603 -0.768) 3.771 2.512 ( 3.643 -0.603 -0.768) 3.771 2.611 ( -10.213 6.047 -0.727) 11.891 2.611 ( 10.213 6.047 -0.727) 11.891 2.715 ( -2.209 1.306 -3.111) 4.033 2.715 ( 2.209 1.306 -3.111) 4.033 2.814 ( -6.715 -3.192 -0.469) 7.450 2.814 ( 6.715 -3.192 -0.469) 7.450 3.079 ( -3.877 -2.341 -3.071) 5.472 3.079 ( 3.877 -2.341 -3.071) 5.472 3.226 ( -5.306 0.539 -2.993) 6.116 3.226 ( 5.306 0.539 -2.993) 6.116 3.318 ( -6.409 0.434 -4.350) 7.758 3.318 ( 6.409 0.434 -4.350) 7.758 3.478 ( -6.503 -0.940 2.036) 6.879 3.478 ( 6.503 -0.940 2.036) 6.879 3.681 ( -4.392 3.459 0.669) 5.630 3.681 ( 4.392 3.459 0.669) 5.630 3.732 ( -4.519 -5.819 -1.046) 7.442 3.732 ( 4.519 -5.819 -1.046) 7.442 3.852 ( -5.031 -0.689 2.985) 5.891 3.852 ( 5.031 -0.689 2.985) 5.891 3.939 ( -6.087 4.797 3.016) 8.317 3.939 ( 6.087 4.797 3.016) 8.317 4.048 ( -1.660 2.390 0.538) 2.959 4.048 ( 1.660 2.390 0.538) 2.959 4.206 ( -4.689 7.139 2.596) 8.927 4.206 ( 4.689 7.139 2.596) 8.927 4.285 ( -8.179 -2.553 2.407) 8.900 4.285 ( 8.179 -2.553 2.407) 8.900 4.383 ( -1.922 -5.153 -0.158) 5.502 4.383 ( 1.922 -5.153 -0.158) 5.502 4.610 ( -2.626 0.140 1.240) 2.907 4.610 ( 2.626 0.140 1.240) 2.907 4.776 ( -5.411 3.013 -1.503) 6.373 4.776 ( 5.411 3.013 -1.503) 6.373 4.925 ( -3.907 -0.846 -0.132) 4.000 4.925 ( 3.907 -0.846 -0.132) 4.000 4.982 ( -4.828 1.952 -3.128) 6.075 4.982 ( 4.828 1.952 -3.128) 6.075 5.063 ( -7.438 -2.474 0.484) 7.854 5.063 ( 7.438 -2.474 0.484) 7.854 5.231 ( -2.040 -0.387 -0.114) 2.080 5.231 ( 2.040 -0.387 -0.114) 2.080 5.287 ( -4.439 -1.644 2.509) 5.358 5.287 ( 4.439 -1.644 2.509) 5.358 5.350 ( -5.223 2.473 -1.227) 5.908 5.350 ( 5.223 2.473 -1.227) 5.908 5.475 ( -2.879 -5.492 -0.328) 6.209 5.475 ( 2.879 -5.492 -0.328) 6.209 5.594 ( -1.166 -1.517 1.258) 2.290 5.594 ( 1.166 -1.517 1.258) 2.290 5.708 ( -2.468 2.849 -3.986) 5.486 5.708 ( 2.468 2.849 -3.986) 5.486 5.788 ( -0.423 -0.400 -7.558) 7.581 5.788 ( 0.423 -0.400 -7.558) 7.581 5.875 ( -3.130 0.469 0.713) 3.244 5.875 ( 3.130 0.469 0.713) 3.244 5.953 ( -2.314 1.136 -0.454) 2.617 5.953 ( 2.314 1.136 -0.454) 2.617 6.091 ( -8.714 -4.250 1.770) 9.855 6.091 ( 8.714 -4.250 1.770) 9.855 6.233 ( -1.179 -1.711 2.032) 2.906 6.233 ( 1.179 -1.711 2.032) 2.906 6.327 ( -2.990 -3.477 0.790) 4.653 6.327 ( 2.990 -3.477 0.790) 4.653 6.367 ( -4.309 -1.404 -0.738) 4.592 6.367 ( 4.309 -1.404 -0.738) 4.592 6.562 ( -1.893 -4.096 1.953) 4.917 6.562 ( 1.893 -4.096 1.953) 4.917 6.616 ( -3.364 -1.407 0.320) 3.661 6.616 ( 3.364 -1.407 0.320) 3.661 6.681 ( -1.160 -2.023 -1.274) 2.657 6.681 ( 1.160 -2.023 -1.274) 2.657 6.730 ( -1.668 2.043 -2.314) 3.509 6.730 ( 1.668 2.043 -2.314) 3.509 6.839 ( -1.120 2.272 -2.793) 3.771 6.839 ( 1.120 2.272 -2.793) 3.771 6.926 ( -3.004 2.938 2.035) 4.669 6.926 ( 3.004 2.938 2.035) 4.669 7.053 ( -2.412 0.434 -1.219) 2.737 7.053 ( 2.412 0.434 -1.219) 2.737 7.088 ( -1.662 -0.405 0.961) 1.962 7.088 ( 1.662 -0.405 0.961) 1.962 7.209 ( -2.002 -3.185 -2.686) 4.622 7.209 ( 2.002 -3.185 -2.686) 4.622 7.317 ( -2.876 6.888 2.161) 7.771 7.317 ( 2.876 6.888 2.161) 7.771 7.510 ( -2.844 1.480 -2.058) 3.810 7.510 ( 2.844 1.480 -2.058) 3.810 7.656 ( -2.967 -0.542 -0.762) 3.111 7.656 ( 2.967 -0.542 -0.762) 3.111 7.860 ( -1.004 3.922 -0.248) 4.056 7.860 ( 1.004 3.922 -0.248) 4.056 7.913 ( -3.494 -1.162 -4.420) 5.753 7.913 ( 3.494 -1.162 -4.420) 5.753 8.063 ( -0.857 0.782 2.436) 2.698 8.063 ( 0.857 0.782 2.436) 2.698 8.088 ( -3.009 -0.107 0.980) 3.166 8.088 ( 3.009 -0.107 0.980) 3.166 8.164 ( -6.105 -0.497 3.369) 6.990 8.164 ( 6.105 -0.497 3.369) 6.990 8.237 ( -1.933 -0.259 1.287) 2.336 8.237 ( 1.933 -0.259 1.287) 2.336 8.369 ( -7.913 -2.668 10.011) 13.037 8.369 ( 7.913 -2.668 10.011) 13.037 8.655 ( -2.905 7.523 -3.797) 8.914 8.655 ( 2.905 7.523 -3.797) 8.914 9.212 ( -13.795 -6.178 -5.490) 16.081 9.212 ( 13.795 -6.178 -5.490) 16.081 15.043 ( -0.043 -0.080 0.418) 0.427 15.043 ( 0.043 -0.080 0.418) 0.427 15.052 ( -0.353 -0.436 -0.029) 0.562 15.052 ( 0.353 -0.436 -0.029) 0.562 15.077 ( -0.677 0.868 -0.412) 1.175 15.077 ( 0.677 0.868 -0.412) 1.175 15.165 ( -0.749 -1.139 -1.623) 2.120 15.165 ( 0.749 -1.139 -1.623) 2.120 15.257 ( -0.290 0.239 0.914) 0.988 15.257 ( 0.290 0.239 0.914) 0.988 15.300 ( -0.952 0.095 -0.089) 0.961 15.300 ( 0.952 0.095 -0.089) 0.961 15.312 ( -0.396 -0.365 0.175) 0.566 15.312 ( 0.396 -0.365 0.175) 0.566 15.379 ( -2.637 -1.960 -1.406) 3.574 15.379 ( 2.637 -1.960 -1.406) 3.574 18.783 ( -1.555 0.062 0.581) 1.662 18.783 ( 1.555 0.062 0.581) 1.662 18.808 ( -1.010 -0.034 -0.068) 1.013 18.808 ( 1.010 -0.034 -0.068) 1.013 18.885 ( -1.037 0.480 0.008) 1.143 18.885 ( 1.037 0.480 0.008) 1.143 18.937 ( -1.483 -0.662 -1.017) 1.916 18.937 ( 1.483 -0.662 -1.017) 1.916 19.121 ( -0.141 0.270 0.441) 0.536 19.121 ( 0.141 0.270 0.441) 0.536 19.189 ( -1.239 -1.891 -0.224) 2.272 19.189 ( 1.239 -1.891 -0.224) 2.272 19.221 ( -0.617 -0.665 -0.604) 1.090 19.221 ( 0.617 -0.665 -0.604) 1.090 19.267 ( -1.039 -2.003 -0.608) 2.337 19.267 ( 1.039 -2.003 -0.608) 2.337 19.365 ( -0.800 1.811 1.820) 2.689 19.365 ( 0.800 1.811 1.820) 2.689 19.391 ( -0.251 1.490 1.116) 1.878 19.391 ( 0.251 1.490 1.116) 1.878 19.532 ( -1.848 0.175 0.328) 1.885 19.532 ( 1.848 0.175 0.328) 1.885 19.547 ( -0.419 0.663 0.039) 0.785 19.547 ( 0.419 0.663 0.039) 0.785 25.495 ( -0.084 -0.186 -0.109) 0.232 25.495 ( 0.084 -0.186 -0.109) 0.232 25.502 ( -0.106 -0.118 -0.060) 0.169 25.502 ( 0.106 -0.118 -0.060) 0.169 25.508 ( -0.031 0.104 -0.127) 0.167 25.508 ( 0.031 0.104 -0.127) 0.167 25.520 ( -0.434 -0.455 -0.147) 0.646 25.520 ( 0.434 -0.455 -0.147) 0.646 26.948 ( -1.252 3.647 3.092) 4.943 26.948 ( 1.252 3.647 3.092) 4.943 27.045 ( -1.368 -0.189 4.284) 4.502 27.045 ( 1.368 -0.189 4.284) 4.502 27.138 ( -3.337 3.997 2.749) 5.888 27.138 ( 3.337 3.997 2.749) 5.888 27.219 ( -2.540 6.152 0.911) 6.718 27.219 ( 2.540 6.152 0.911) 6.718 27.341 ( -6.045 5.218 2.060) 8.247 27.341 ( 6.045 5.218 2.060) 8.247 27.514 ( -2.892 -1.117 -3.327) 4.547 27.514 ( 2.892 -1.117 -3.327) 4.547 27.675 ( -2.126 -0.602 -0.447) 2.255 27.675 ( 2.126 -0.602 -0.447) 2.255 27.854 ( -2.028 4.479 -3.169) 5.850 27.854 ( 2.028 4.479 -3.169) 5.850 28.554 ( -3.235 -3.351 1.859) 5.015 28.554 ( 3.235 -3.351 1.859) 5.015 28.671 ( -3.276 0.658 -0.237) 3.350 28.671 ( 3.276 0.658 -0.237) 3.350 29.154 ( -4.854 -5.887 -0.694) 7.661 29.154 ( 4.854 -5.887 -0.694) 7.661 29.343 ( -1.797 -9.642 -5.810) 11.400 29.343 ( 1.797 -9.642 -5.810) 11.400 ======================= Grid point 49 (21/48) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 13.492 12.787) 18.589 1.192 ( 0.000 0.994 8.533) 8.591 1.517 ( 0.000 22.212 6.080) 23.030 1.653 ( 0.000 11.201 7.766) 13.630 1.830 ( 0.000 -12.606 4.611) 13.423 1.992 ( 0.000 14.366 2.252) 14.541 2.073 ( 0.000 -21.013 -4.495) 21.489 2.093 ( 0.000 9.459 3.615) 10.126 2.156 ( 0.000 -4.174 -4.393) 6.060 2.251 ( 0.000 14.805 11.281) 18.613 2.297 ( 0.000 -9.833 0.397) 9.841 2.420 ( 0.000 -2.992 -0.194) 2.998 2.507 ( 0.000 -4.171 -8.310) 9.298 2.632 ( 0.000 -15.096 12.339) 19.497 2.700 ( 0.000 10.826 2.857) 11.196 2.853 ( 0.000 -5.237 -3.500) 6.299 2.921 ( 0.000 6.047 5.926) 8.467 2.965 ( 0.000 10.767 2.144) 10.978 3.103 ( 0.000 -10.155 -1.292) 10.237 3.175 ( 0.000 15.232 -2.749) 15.478 3.175 ( 0.000 -9.299 0.388) 9.307 3.320 ( 0.000 2.754 -9.620) 10.006 3.357 ( 0.000 6.594 -6.886) 9.534 3.425 ( 0.000 6.577 -3.644) 7.519 3.491 ( 0.000 -2.007 -4.154) 4.614 3.572 ( 0.000 -0.852 -9.837) 9.874 3.579 ( 0.000 -5.436 2.609) 6.030 3.630 ( 0.000 -6.618 -12.571) 14.206 3.743 ( 0.000 0.891 2.285) 2.453 3.799 ( 0.000 -4.023 2.334) 4.651 3.879 ( 0.000 7.904 6.247) 10.075 3.883 ( 0.000 3.311 5.625) 6.527 3.967 ( 0.000 6.965 -1.402) 7.105 4.006 ( 0.000 1.886 5.058) 5.399 4.021 ( 0.000 -1.071 4.602) 4.725 4.087 ( 0.000 -0.798 5.557) 5.614 4.160 ( 0.000 -3.839 2.321) 4.486 4.176 ( 0.000 -5.630 7.062) 9.031 4.283 ( 0.000 2.214 -2.762) 3.539 4.287 ( 0.000 -0.142 -3.504) 3.506 4.443 ( 0.000 3.279 0.262) 3.289 4.464 ( 0.000 -1.658 -1.031) 1.952 4.482 ( 0.000 -2.183 -3.217) 3.888 4.547 ( 0.000 -1.266 -3.452) 3.676 4.614 ( 0.000 1.685 -2.019) 2.630 4.617 ( 0.000 -3.353 0.410) 3.378 4.780 ( 0.000 0.150 4.374) 4.377 4.820 ( 0.000 1.080 -3.436) 3.601 4.838 ( 0.000 0.643 6.944) 6.973 4.848 ( 0.000 -3.393 1.458) 3.693 4.999 ( 0.000 10.476 8.259) 13.340 5.161 ( 0.000 -3.441 -0.041) 3.441 5.176 ( 0.000 -3.667 4.429) 5.750 5.239 ( 0.000 -8.933 -1.010) 8.990 5.293 ( 0.000 4.792 -0.308) 4.801 5.406 ( 0.000 4.634 3.139) 5.597 5.415 ( 0.000 -3.504 1.299) 3.737 5.446 ( 0.000 0.403 -1.922) 1.963 5.497 ( 0.000 -1.655 1.463) 2.209 5.520 ( 0.000 -0.835 -5.943) 6.001 5.638 ( 0.000 1.114 -5.102) 5.222 5.649 ( 0.000 0.955 -8.691) 8.743 5.763 ( 0.000 1.905 -5.351) 5.680 5.824 ( 0.000 -0.039 5.492) 5.492 5.832 ( 0.000 0.037 -7.195) 7.195 5.920 ( 0.000 -0.474 -3.081) 3.118 5.938 ( 0.000 -0.108 -5.214) 5.215 5.953 ( 0.000 -3.548 -4.886) 6.038 6.073 ( 0.000 -0.294 -0.719) 0.777 6.129 ( 0.000 -2.557 -2.648) 3.681 6.162 ( 0.000 4.518 2.295) 5.067 6.268 ( 0.000 1.633 3.423) 3.792 6.293 ( 0.000 0.342 3.958) 3.973 6.296 ( 0.000 -6.166 8.398) 10.418 6.410 ( 0.000 1.406 -6.914) 7.056 6.461 ( 0.000 -1.986 3.533) 4.053 6.483 ( 0.000 -1.431 2.589) 2.958 6.495 ( 0.000 -2.338 -0.978) 2.534 6.612 ( 0.000 2.818 -8.813) 9.253 6.664 ( 0.000 -2.187 -3.294) 3.953 6.743 ( 0.000 -0.191 1.038) 1.055 6.763 ( 0.000 0.973 -3.716) 3.841 6.782 ( 0.000 0.666 0.512) 0.840 6.839 ( 0.000 -2.777 -3.702) 4.628 6.873 ( 0.000 0.010 -5.641) 5.641 6.876 ( 0.000 -0.663 -1.953) 2.063 6.906 ( 0.000 2.652 1.648) 3.123 6.956 ( 0.000 3.869 1.020) 4.001 6.960 ( 0.000 -0.975 0.971) 1.376 7.046 ( 0.000 -3.764 1.492) 4.049 7.089 ( 0.000 -0.837 2.485) 2.622 7.090 ( 0.000 0.585 1.553) 1.660 7.149 ( 0.000 -1.733 -2.610) 3.133 7.159 ( 0.000 -1.500 -1.036) 1.823 7.199 ( 0.000 1.135 -1.334) 1.751 7.204 ( 0.000 -0.855 -0.103) 0.861 7.340 ( 0.000 0.791 -1.186) 1.426 7.352 ( 0.000 2.110 -0.156) 2.116 7.368 ( 0.000 -1.453 0.150) 1.461 7.405 ( 0.000 -2.259 -0.575) 2.331 7.514 ( 0.000 5.081 2.236) 5.551 7.547 ( 0.000 2.665 8.516) 8.923 7.606 ( 0.000 -3.257 0.975) 3.400 7.612 ( 0.000 -3.073 8.934) 9.448 7.637 ( 0.000 3.582 -1.070) 3.739 7.696 ( 0.000 -1.578 -0.749) 1.746 7.841 ( 0.000 0.960 0.294) 1.004 7.864 ( 0.000 -0.322 1.140) 1.185 8.006 ( 0.000 3.332 4.113) 5.293 8.070 ( 0.000 4.134 1.613) 4.438 8.085 ( 0.000 -3.382 3.483) 4.855 8.132 ( 0.000 -1.194 -0.444) 1.274 8.211 ( 0.000 2.988 -6.320) 6.991 8.270 ( 0.000 -3.009 -5.424) 6.203 8.341 ( 0.000 4.152 -1.101) 4.295 8.406 ( 0.000 -2.101 -1.557) 2.615 8.515 ( 0.000 3.678 5.876) 6.932 8.618 ( 0.000 -6.251 12.208) 13.715 9.093 ( 0.000 12.906 -7.592) 14.974 9.357 ( 0.000 -12.813 -5.839) 14.081 15.038 ( 0.000 0.601 -0.434) 0.742 15.042 ( 0.000 0.073 0.486) 0.491 15.050 ( 0.000 -0.261 0.068) 0.270 15.050 ( 0.000 -0.355 -0.624) 0.718 15.091 ( 0.000 1.399 0.329) 1.438 15.123 ( 0.000 -1.013 -0.825) 1.306 15.138 ( 0.000 0.597 -1.769) 1.867 15.152 ( 0.000 -1.104 -0.202) 1.122 15.272 ( 0.000 1.079 0.871) 1.386 15.288 ( 0.000 0.844 0.623) 1.049 15.295 ( 0.000 -1.188 0.218) 1.208 15.299 ( 0.000 0.892 0.260) 0.929 15.308 ( 0.000 -0.877 0.567) 1.045 15.324 ( 0.000 -1.473 0.743) 1.650 15.383 ( 0.000 1.739 -0.838) 1.931 15.431 ( 0.000 -2.761 -1.304) 3.053 18.721 ( 0.000 0.298 0.360) 0.468 18.729 ( 0.000 -0.519 0.361) 0.632 18.823 ( 0.000 0.638 -1.351) 1.494 18.836 ( 0.000 -0.441 -1.987) 2.036 18.853 ( 0.000 0.798 0.427) 0.905 18.877 ( 0.000 -1.397 0.330) 1.435 18.889 ( 0.000 1.856 -0.426) 1.905 18.932 ( 0.000 -2.235 -0.812) 2.378 19.088 ( 0.000 0.350 0.621) 0.713 19.105 ( 0.000 -1.356 0.436) 1.424 19.135 ( 0.000 1.039 0.564) 1.182 19.163 ( 0.000 -1.762 0.198) 1.773 19.238 ( 0.000 1.611 -0.670) 1.745 19.241 ( 0.000 -0.273 -0.365) 0.455 19.247 ( 0.000 -0.695 -0.821) 1.075 19.275 ( 0.000 -1.658 -1.054) 1.965 19.349 ( 0.000 -0.182 2.208) 2.215 19.351 ( 0.000 -0.216 1.516) 1.531 19.370 ( 0.000 0.759 1.153) 1.381 19.375 ( 0.000 0.258 0.753) 0.796 19.533 ( 0.000 1.863 0.332) 1.893 19.559 ( 0.000 -0.673 0.373) 0.769 19.581 ( 0.000 1.645 -0.495) 1.718 19.608 ( 0.000 -1.014 -0.445) 1.107 25.488 ( 0.000 0.105 -0.577) 0.586 25.489 ( 0.000 -0.042 -0.490) 0.492 25.491 ( 0.000 -0.214 -0.685) 0.718 25.492 ( 0.000 -0.300 -0.682) 0.745 25.510 ( 0.000 0.153 0.157) 0.219 25.511 ( 0.000 0.028 0.103) 0.107 25.515 ( 0.000 0.202 0.052) 0.208 25.522 ( 0.000 -0.543 0.441) 0.699 26.868 ( 0.000 3.438 3.858) 5.167 26.934 ( 0.000 -2.898 6.159) 6.806 26.948 ( 0.000 1.192 8.211) 8.297 26.987 ( 0.000 -2.886 5.956) 6.618 27.217 ( 0.000 11.349 -5.989) 12.832 27.384 ( 0.000 12.070 -0.642) 12.087 27.411 ( 0.000 -6.306 -3.692) 7.307 27.535 ( 0.000 4.626 1.789) 4.960 27.540 ( 0.000 1.229 -2.756) 3.018 27.580 ( 0.000 -0.998 -1.477) 1.783 27.666 ( 0.000 0.674 0.174) 0.696 27.696 ( 0.000 14.783 -0.572) 14.794 27.752 ( 0.000 -10.722 1.470) 10.822 27.808 ( 0.000 7.163 11.836) 13.835 27.959 ( 0.000 -10.048 6.617) 12.031 28.056 ( 0.000 -13.964 2.827) 14.247 28.289 ( 0.000 8.966 -8.638) 12.450 28.452 ( 0.000 -4.800 -8.963) 10.167 28.570 ( 0.000 3.410 5.040) 6.085 28.631 ( 0.000 5.986 -4.820) 7.685 28.800 ( 0.000 -4.306 3.259) 5.400 29.006 ( 0.000 -14.474 -5.739) 15.570 29.112 ( 0.000 2.129 -4.732) 5.189 29.162 ( 0.000 -2.746 -5.871) 6.481 ======================= Grid point 50 (22/48) ======================= q-point: ( 0.17 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 25.411 11.127 5.731) 28.326 1.446 ( 21.095 4.886 7.053) 22.773 1.564 ( 4.643 17.600 6.506) 19.330 1.641 ( 0.233 12.724 7.061) 14.554 1.837 ( 1.004 -9.421 4.699) 10.576 2.008 ( -0.685 6.377 3.799) 7.455 2.068 ( 2.335 -8.918 0.338) 9.225 2.082 ( 2.184 8.929 7.098) 11.613 2.168 ( 1.957 -11.312 -1.191) 11.542 2.283 ( 2.474 0.110 1.612) 2.955 2.336 ( 2.656 1.574 3.370) 4.571 2.494 ( 6.684 1.255 -2.707) 7.319 2.560 ( 3.718 -0.271 -6.822) 7.774 2.614 ( -1.643 -12.109 9.960) 15.765 2.688 ( -0.444 4.890 1.685) 5.191 2.758 ( -8.082 1.275 -1.569) 8.331 2.841 ( -6.935 0.763 2.823) 7.526 2.907 ( -4.173 1.731 0.838) 4.594 3.049 ( -1.524 0.214 4.545) 4.799 3.138 ( -3.508 -7.314 3.658) 8.898 3.228 ( -0.266 8.153 -5.960) 10.103 3.289 ( -0.481 5.044 -7.571) 9.110 3.391 ( -1.010 3.375 -1.218) 3.728 3.437 ( 2.053 5.738 -10.873) 12.465 3.509 ( -0.310 -4.451 -6.198) 7.637 3.557 ( 4.543 -0.826 -4.721) 6.604 3.599 ( -2.098 0.737 -3.365) 4.034 3.639 ( -2.646 -2.280 -1.070) 3.653 3.732 ( 0.970 -0.646 0.000) 1.166 3.783 ( -1.153 -2.544 -0.137) 2.796 3.857 ( -1.326 1.101 4.071) 4.421 3.916 ( 2.029 2.100 6.792) 7.393 3.940 ( -0.032 2.446 2.745) 3.677 3.985 ( -3.170 -2.411 2.484) 4.693 4.019 ( 0.572 6.676 5.563) 8.709 4.098 ( 1.987 2.728 3.361) 4.763 4.190 ( 1.064 -2.165 2.677) 3.603 4.196 ( 2.719 -3.427 0.125) 4.377 4.283 ( -0.657 3.152 -0.913) 3.347 4.337 ( 5.365 -3.809 1.330) 6.712 4.391 ( -2.800 0.144 -0.207) 2.812 4.432 ( -2.719 -3.071 -2.340) 4.722 4.512 ( 2.780 0.965 0.255) 2.954 4.600 ( 2.044 2.116 0.514) 2.986 4.615 ( 1.507 1.780 -1.368) 2.704 4.670 ( 5.120 -9.592 0.754) 10.899 4.775 ( -0.007 0.972 3.413) 3.549 4.835 ( 0.425 -0.459 0.626) 0.885 4.858 ( 2.745 -0.591 0.017) 2.808 4.885 ( -0.050 0.453 4.227) 4.252 4.979 ( 1.735 10.569 0.781) 10.739 5.176 ( -0.634 -3.497 2.177) 4.168 5.188 ( 0.674 -0.732 -1.779) 2.038 5.244 ( 0.526 -5.917 -0.504) 5.962 5.314 ( 0.643 1.906 -0.084) 2.014 5.385 ( -1.077 -1.231 2.134) 2.689 5.400 ( 1.528 -1.822 0.352) 2.404 5.443 ( -2.164 -2.202 -1.786) 3.567 5.486 ( -0.306 5.238 -2.376) 5.760 5.556 ( -0.775 0.661 -3.314) 3.467 5.600 ( -4.898 -1.571 -4.908) 7.110 5.631 ( 2.808 -1.761 -4.138) 5.302 5.747 ( -3.318 1.744 -5.236) 6.439 5.783 ( -2.173 1.113 2.527) 3.514 5.818 ( -0.599 1.962 -6.122) 6.456 5.877 ( -3.718 0.533 -4.407) 5.791 5.886 ( -5.125 -1.135 -4.560) 6.953 5.932 ( -2.398 -4.231 -1.298) 5.034 6.036 ( -3.800 0.317 -0.708) 3.878 6.080 ( -3.620 -3.930 -0.024) 5.343 6.139 ( -1.394 6.194 1.617) 6.552 6.246 ( -2.032 1.828 2.878) 3.969 6.263 ( -2.987 -4.077 6.648) 8.351 6.304 ( -0.178 -2.312 5.365) 5.845 6.373 ( -4.046 1.119 -2.361) 4.816 6.419 ( -2.546 -1.694 0.109) 3.060 6.455 ( -3.696 -0.353 1.680) 4.075 6.500 ( -1.081 -3.528 3.244) 4.913 6.568 ( -5.802 0.161 -3.008) 6.538 6.586 ( -5.123 -1.416 -0.062) 5.315 6.630 ( -7.085 2.770 -3.685) 8.453 6.714 ( -7.314 -3.230 -5.641) 9.786 6.773 ( -1.563 -0.702 -3.109) 3.550 6.794 ( -5.453 -1.979 -2.547) 6.336 6.824 ( -4.218 2.150 -1.899) 5.101 6.859 ( -2.656 -0.456 -0.769) 2.802 6.886 ( -1.879 1.477 -0.714) 2.494 6.895 ( -4.060 0.923 -1.501) 4.426 6.929 ( -2.790 0.890 -0.531) 2.976 6.963 ( -0.681 0.326 0.515) 0.914 6.994 ( -2.018 -0.550 -0.296) 2.113 7.022 ( -4.182 -1.137 1.889) 4.728 7.122 ( 0.245 -1.178 -2.557) 2.826 7.130 ( 0.152 -2.556 -1.100) 2.786 7.208 ( -0.935 1.321 1.349) 2.106 7.232 ( -1.146 0.073 0.506) 1.254 7.362 ( 3.077 2.728 3.015) 5.099 7.394 ( 3.242 0.465 0.212) 3.282 7.486 ( 6.861 0.987 -1.753) 7.150 7.529 ( 4.924 -2.202 -1.409) 5.575 7.575 ( 2.069 3.819 4.673) 6.380 7.606 ( 1.664 1.432 -0.110) 2.198 7.664 ( 3.400 -0.796 4.736) 5.884 7.678 ( 7.712 -1.262 0.737) 7.850 7.731 ( 11.789 0.644 1.509) 11.902 7.761 ( 8.037 -1.769 1.408) 8.349 7.875 ( 4.734 0.674 -0.955) 4.876 7.902 ( 2.695 -1.794 -2.629) 4.170 8.034 ( 2.253 2.566 4.036) 5.287 8.066 ( 0.844 1.118 2.319) 2.709 8.124 ( 1.722 1.488 2.429) 3.328 8.150 ( 1.771 -0.283 1.706) 2.476 8.259 ( -0.002 -0.153 -2.290) 2.296 8.280 ( 0.977 -1.786 -1.339) 2.437 8.376 ( 1.030 5.380 2.656) 6.088 8.467 ( 3.694 -2.150 1.082) 4.409 8.528 ( 5.420 0.893 0.882) 5.563 8.595 ( 0.862 -4.625 6.744) 8.223 9.050 ( -4.022 12.750 -7.419) 15.290 9.312 ( -4.310 -12.624 -6.411) 14.800 15.038 ( 0.065 0.458 -0.264) 0.533 15.042 ( -0.029 0.050 0.492) 0.496 15.048 ( -0.126 -0.177 -0.114) 0.245 15.050 ( -0.018 -0.311 -0.312) 0.441 15.092 ( 0.086 1.380 0.220) 1.400 15.118 ( -0.381 -0.094 -1.292) 1.351 15.139 ( -0.048 -0.310 -1.363) 1.399 15.147 ( -0.513 -1.271 -0.369) 1.420 15.271 ( -0.104 1.090 0.857) 1.391 15.280 ( -0.652 0.610 0.625) 1.090 15.288 ( -0.534 -0.362 0.450) 0.786 15.297 ( -0.202 -0.144 0.248) 0.351 15.302 ( -0.245 -0.562 0.390) 0.726 15.320 ( -0.394 -1.285 0.542) 1.450 15.372 ( -1.086 1.582 -0.776) 2.070 15.416 ( -1.409 -2.628 -1.250) 3.233 18.732 ( 1.106 0.379 0.363) 1.224 18.742 ( 1.246 -0.577 0.341) 1.415 18.822 ( -0.121 0.956 -1.108) 1.468 18.842 ( -0.046 -0.700 -1.409) 1.574 18.857 ( 0.563 0.435 0.251) 0.755 18.871 ( 0.187 -0.439 0.160) 0.503 18.899 ( 0.590 1.002 -0.411) 1.233 18.935 ( 0.185 -1.998 -0.841) 2.176 19.094 ( 0.603 0.246 0.512) 0.828 19.110 ( 0.555 -1.370 0.378) 1.526 19.135 ( 0.077 1.090 0.490) 1.198 19.164 ( 0.129 -1.707 0.093) 1.714 19.230 ( -0.666 0.375 -0.694) 1.032 19.239 ( -0.362 0.796 -0.480) 0.998 19.241 ( -0.599 -0.808 -0.817) 1.296 19.269 ( -0.572 -1.662 -1.034) 2.039 19.353 ( 0.596 0.519 2.020) 2.169 19.363 ( 1.123 -0.453 1.543) 1.961 19.382 ( 1.154 1.146 0.958) 1.887 19.394 ( 1.276 -0.113 0.938) 1.588 19.531 ( -0.105 1.804 0.323) 1.836 19.556 ( -0.268 -0.371 0.197) 0.498 19.576 ( -0.471 1.126 -0.134) 1.228 19.599 ( -0.976 -0.878 -0.316) 1.350 25.489 ( 0.014 -0.018 -0.454) 0.454 25.490 ( 0.186 0.020 -0.493) 0.528 25.493 ( 0.112 -0.270 -0.594) 0.662 25.494 ( 0.230 -0.224 -0.578) 0.662 25.510 ( -0.106 0.096 0.128) 0.192 25.510 ( -0.070 0.051 0.136) 0.161 25.514 ( -0.048 0.191 0.013) 0.198 25.521 ( -0.129 -0.498 0.358) 0.627 26.895 ( 2.734 2.626 3.756) 5.337 26.939 ( 0.977 -1.754 5.857) 6.191 26.977 ( 2.401 0.995 7.065) 7.528 26.990 ( 0.780 0.513 5.659) 5.736 27.218 ( 0.007 8.277 -2.847) 8.753 27.375 ( -1.093 11.378 -0.401) 11.437 27.398 ( -1.737 -6.261 -1.112) 6.592 27.444 ( -6.887 4.809 -1.057) 8.466 27.499 ( -3.586 0.029 -2.518) 4.382 27.567 ( 0.301 2.909 1.211) 3.165 27.619 ( -5.981 -0.027 0.515) 6.003 27.665 ( -1.632 -0.631 -0.350) 1.785 27.693 ( -7.606 2.344 5.783) 9.838 27.765 ( -0.907 -0.815 -0.610) 1.363 27.963 ( -1.823 -1.199 6.787) 7.129 28.110 ( -0.833 -9.827 -3.280) 10.394 28.278 ( 4.024 10.375 -3.965) 11.813 28.481 ( 2.818 -5.592 -7.094) 9.463 28.583 ( 1.238 3.201 4.359) 5.548 28.657 ( 1.898 1.288 -1.288) 2.630 28.825 ( 3.492 -1.693 1.408) 4.128 29.018 ( 1.502 -13.653 -5.708) 14.874 29.128 ( 0.881 0.711 -3.993) 4.151 29.183 ( 1.089 -4.562 -4.951) 6.820 ======================= Grid point 51 (23/48) ======================= q-point: ( 0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 1.335 9.605 8.989) 13.223 1.616 ( 1.339 12.749 6.589) 14.413 1.744 ( 7.692 4.809 5.392) 10.552 1.855 ( 6.990 -8.679 5.422) 12.393 1.907 ( 7.896 10.900 3.271) 13.851 2.011 ( 5.777 9.650 3.572) 11.801 2.140 ( 1.803 7.042 5.940) 9.387 2.262 ( 9.359 -2.519 2.307) 9.963 2.269 ( 8.791 -9.455 0.365) 12.916 2.356 ( 7.353 -0.708 1.170) 7.479 2.411 ( 7.378 -2.544 0.000) 7.804 2.497 ( -7.826 4.476 3.977) 9.853 2.528 ( -5.607 -6.236 -5.598) 10.083 2.582 ( -1.770 -1.791 0.540) 2.575 2.680 ( -0.054 2.271 2.978) 3.746 2.704 ( 2.427 3.251 -0.275) 4.066 2.808 ( 3.231 -0.394 -0.059) 3.255 2.884 ( 4.695 -5.287 1.289) 7.187 3.019 ( -2.684 0.099 8.277) 8.702 3.069 ( -1.257 -2.134 3.990) 4.696 3.181 ( -2.685 8.229 -4.892) 9.943 3.309 ( -0.080 -2.718 -7.821) 8.281 3.354 ( 0.341 5.405 -5.921) 8.024 3.415 ( -7.073 2.617 -3.955) 8.516 3.449 ( -5.061 -2.687 -7.375) 9.339 3.523 ( -5.105 -1.475 0.551) 5.342 3.585 ( -1.554 -2.308 -1.815) 3.322 3.650 ( 0.023 -3.198 -2.448) 4.028 3.695 ( -0.073 2.745 -1.831) 3.300 3.791 ( -3.079 -0.921 2.774) 4.246 3.832 ( 3.180 0.136 0.869) 3.299 3.886 ( -1.984 -3.766 5.995) 7.352 3.987 ( 4.248 4.149 7.574) 9.624 4.016 ( 2.853 2.156 6.958) 7.823 4.080 ( 4.834 6.820 4.359) 9.428 4.132 ( 1.714 5.616 0.214) 5.876 4.203 ( -1.710 1.749 3.056) 3.914 4.234 ( 2.809 -0.189 -2.738) 3.927 4.264 ( 0.513 0.120 -1.625) 1.708 4.339 ( -3.329 -3.038 -0.081) 4.507 4.408 ( 1.405 0.346 -0.055) 1.448 4.498 ( 8.489 -6.258 -1.678) 10.679 4.537 ( -1.047 4.589 1.541) 4.953 4.625 ( -0.268 3.952 0.941) 4.071 4.648 ( 1.066 1.842 -0.172) 2.135 4.725 ( 0.638 -11.161 4.362) 12.000 4.770 ( -1.917 -2.615 3.860) 5.041 4.828 ( -0.751 -2.075 -0.489) 2.261 4.909 ( 7.215 -0.679 -0.128) 7.248 4.952 ( 6.163 -2.082 -4.321) 7.810 5.047 ( 1.475 3.907 -3.464) 5.426 5.115 ( -3.216 0.761 -2.178) 3.957 5.179 ( -0.345 1.019 3.870) 4.017 5.276 ( -0.280 -2.956 -2.428) 3.836 5.298 ( -0.609 0.440 -1.116) 1.346 5.353 ( -3.745 -1.780 1.189) 4.314 5.380 ( -4.098 1.461 0.752) 4.415 5.420 ( -4.140 1.514 -1.233) 4.577 5.439 ( -2.174 -3.161 -0.504) 3.870 5.500 ( -3.347 -4.113 -2.009) 5.670 5.569 ( 2.261 4.444 -3.807) 6.274 5.634 ( -2.879 0.256 -2.896) 4.092 5.689 ( -1.469 1.962 -0.949) 2.628 5.772 ( 0.279 -1.631 -4.157) 4.475 5.788 ( -3.057 0.169 -4.640) 5.560 5.808 ( -1.637 -0.794 -6.322) 6.578 5.851 ( 2.258 0.671 -1.296) 2.688 5.883 ( -0.612 -0.564 -2.237) 2.386 5.970 ( -2.081 0.319 -1.103) 2.377 5.987 ( -4.221 -2.183 0.120) 4.753 6.105 ( -4.874 4.896 -1.207) 7.013 6.173 ( -7.883 -1.845 4.520) 9.272 6.197 ( -3.635 -0.147 3.168) 4.824 6.258 ( -1.171 -4.746 2.515) 5.498 6.294 ( -2.696 2.224 5.469) 6.491 6.344 ( -5.606 -3.091 1.655) 6.613 6.384 ( -0.518 -0.754 2.384) 2.553 6.397 ( -4.566 -1.093 1.401) 4.900 6.453 ( -5.095 0.503 1.366) 5.299 6.517 ( -1.771 -3.817 1.929) 4.629 6.575 ( -0.779 1.233 -2.322) 2.742 6.625 ( -2.130 -3.420 -3.349) 5.239 6.669 ( -5.020 -0.412 -1.134) 5.163 6.693 ( -3.987 -2.084 -0.766) 4.564 6.797 ( -2.495 2.816 -1.011) 3.896 6.809 ( -2.205 0.546 -3.439) 4.122 6.819 ( 0.151 -0.581 -2.963) 3.023 6.852 ( -1.184 -1.982 -2.063) 3.096 6.946 ( 2.784 4.150 0.085) 4.998 6.991 ( 2.533 1.960 -0.556) 3.251 7.003 ( 2.052 -0.412 1.278) 2.453 7.032 ( 2.505 -1.822 -1.541) 3.459 7.109 ( -1.367 -0.534 -0.968) 1.758 7.120 ( -0.658 -2.367 -1.190) 2.730 7.165 ( -3.293 1.571 -0.479) 3.680 7.200 ( -2.695 -1.490 -1.578) 3.460 7.414 ( 1.766 4.662 1.675) 5.259 7.454 ( 3.051 0.161 0.728) 3.141 7.509 ( -2.601 4.650 0.294) 5.336 7.569 ( -2.315 0.140 -1.712) 2.883 7.613 ( 4.353 0.209 -2.144) 4.857 7.677 ( 5.547 -1.807 -2.745) 6.448 7.732 ( 2.778 1.170 -1.899) 3.563 7.808 ( 2.495 -3.392 -3.285) 5.340 7.901 ( 7.079 3.188 1.843) 7.979 7.934 ( 7.346 -0.279 1.844) 7.579 7.981 ( 6.805 1.143 -0.250) 6.905 8.027 ( 7.790 -1.647 2.369) 8.307 8.084 ( 2.542 1.287 4.662) 5.464 8.092 ( 1.660 0.693 4.514) 4.860 8.152 ( 1.559 1.772 2.264) 3.271 8.180 ( 0.195 1.101 4.140) 4.288 8.229 ( -2.021 -0.266 0.693) 2.153 8.252 ( -4.024 -0.923 3.337) 5.309 8.306 ( -4.667 2.179 7.037) 8.721 8.407 ( -7.226 -6.557 9.837) 13.855 8.690 ( 9.607 5.716 -4.743) 12.143 8.803 ( 13.809 -4.472 -5.379) 15.479 8.960 ( -4.723 11.482 -6.713) 14.114 9.206 ( -6.579 -11.757 -7.064) 15.212 15.040 ( 0.109 0.164 0.016) 0.198 15.042 ( 0.001 0.004 0.443) 0.443 15.046 ( -0.140 -0.089 0.190) 0.252 15.049 ( -0.176 -0.337 -0.184) 0.423 15.094 ( 0.167 1.504 -0.280) 1.539 15.110 ( -0.449 0.893 -1.207) 1.567 15.136 ( -0.197 -1.046 -1.340) 1.712 15.137 ( -0.382 -1.880 -0.785) 2.073 15.269 ( -0.115 1.094 0.772) 1.344 15.271 ( -0.255 0.539 0.694) 0.915 15.285 ( 0.192 -0.645 0.435) 0.801 15.292 ( -0.191 -0.644 0.319) 0.743 15.303 ( 0.268 -0.311 0.181) 0.448 15.315 ( 0.306 -0.913 -0.094) 0.967 15.345 ( -1.606 1.201 -0.578) 2.087 15.380 ( -2.170 -2.242 -1.028) 3.285 18.759 ( 1.604 0.505 0.374) 1.722 18.772 ( 1.661 -0.631 0.266) 1.797 18.813 ( -0.839 0.699 -0.175) 1.106 18.828 ( -1.178 -0.489 -0.384) 1.332 18.876 ( 1.323 0.645 -0.077) 1.474 18.891 ( 1.419 -0.684 -0.678) 1.715 18.906 ( 0.062 0.880 -0.473) 1.001 18.934 ( -0.383 -1.521 -0.843) 1.781 19.110 ( 0.993 0.193 0.371) 1.077 19.126 ( 1.072 -1.377 0.263) 1.765 19.137 ( -0.046 1.111 0.330) 1.160 19.166 ( -0.165 -1.710 -0.095) 1.721 19.217 ( -0.451 -0.001 -0.607) 0.756 19.228 ( -0.629 0.411 -0.748) 1.061 19.229 ( -0.436 -0.572 -0.773) 1.056 19.253 ( -1.051 -1.489 -1.017) 2.087 19.372 ( 1.315 1.021 1.898) 2.525 19.389 ( 1.362 -0.479 1.548) 2.117 19.402 ( 0.642 1.110 1.162) 1.730 19.410 ( 0.301 0.315 1.301) 1.372 19.531 ( 0.177 1.494 0.194) 1.517 19.551 ( -0.193 -0.089 -0.068) 0.223 19.564 ( -0.767 0.344 0.203) 0.865 19.574 ( -1.477 -0.392 -0.131) 1.534 25.490 ( 0.128 0.041 -0.300) 0.329 25.494 ( 0.183 -0.153 -0.308) 0.390 25.495 ( 0.068 -0.073 -0.316) 0.332 25.499 ( 0.179 -0.290 -0.303) 0.456 25.507 ( -0.041 0.046 0.010) 0.062 25.509 ( -0.019 -0.039 0.018) 0.047 25.513 ( -0.115 0.136 -0.044) 0.183 25.518 ( -0.239 -0.395 0.144) 0.484 26.962 ( 3.599 1.483 3.929) 5.531 26.978 ( 2.983 -0.251 5.151) 5.958 27.018 ( 1.272 2.174 5.910) 6.425 27.027 ( 2.437 1.510 4.997) 5.761 27.212 ( -0.406 4.875 2.690) 5.582 27.323 ( -4.419 1.102 -0.596) 4.594 27.350 ( -2.238 0.049 -0.011) 2.239 27.352 ( -2.015 5.417 -0.373) 5.792 27.441 ( -3.427 0.346 -1.793) 3.883 27.461 ( -5.778 5.592 2.364) 8.381 27.550 ( -5.503 -0.645 2.735) 6.179 27.606 ( -0.862 -5.430 -0.599) 5.530 27.633 ( -0.579 7.782 -1.200) 7.896 27.763 ( 2.609 -0.003 -3.764) 4.580 27.878 ( -6.171 2.961 -0.504) 6.864 28.001 ( -7.152 -3.107 -5.564) 9.579 28.430 ( 8.127 4.217 0.548) 9.173 28.560 ( 4.596 -3.319 -2.264) 6.104 28.599 ( 0.091 2.086 2.610) 3.342 28.680 ( 0.055 -1.905 0.964) 2.136 28.929 ( 6.364 -1.341 -0.970) 6.576 29.064 ( 3.061 -11.561 -4.838) 12.901 29.119 ( -2.133 -1.405 -2.786) 3.779 29.178 ( -1.651 -6.764 -3.911) 7.986 ======================= Grid point 52 (24/48) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -1.181 10.633 10.003) 14.646 1.611 ( 1.181 10.633 10.003) 14.646 1.840 ( -3.629 -10.110 7.045) 12.846 1.840 ( 3.629 -10.110 7.045) 12.846 2.061 ( -5.074 17.354 0.300) 18.083 2.061 ( 5.074 17.354 0.300) 18.083 2.237 ( -9.606 10.679 3.519) 14.788 2.237 ( 9.606 10.679 3.519) 14.788 2.352 ( -2.544 -6.395 0.037) 6.882 2.352 ( 2.544 -6.395 0.037) 6.882 2.443 ( -4.310 -7.282 -1.713) 8.633 2.443 ( 4.310 -7.282 -1.713) 8.633 2.618 ( -6.179 0.531 2.585) 6.719 2.618 ( 6.179 0.531 2.585) 6.719 2.684 ( -4.418 -4.076 2.387) 6.468 2.684 ( 4.418 -4.076 2.387) 6.468 2.931 ( -5.792 8.510 1.774) 10.446 2.931 ( 5.792 8.510 1.774) 10.446 3.031 ( -2.173 -2.428 3.274) 4.619 3.031 ( 2.173 -2.428 3.274) 4.619 3.203 ( -7.435 1.909 -7.323) 10.609 3.203 ( 7.435 1.909 -7.323) 10.609 3.343 ( -5.909 -5.907 -4.471) 9.476 3.343 ( 5.909 -5.907 -4.471) 9.476 3.440 ( -7.076 3.253 -2.872) 8.301 3.440 ( 7.076 3.253 -2.872) 8.301 3.558 ( -5.654 -7.023 -2.296) 9.304 3.558 ( 5.654 -7.023 -2.296) 9.304 3.774 ( -4.754 3.818 4.354) 7.492 3.774 ( 4.754 3.818 4.354) 7.492 3.844 ( -3.946 -2.186 3.918) 5.975 3.844 ( 3.946 -2.186 3.918) 5.975 4.070 ( -2.007 5.446 3.877) 6.980 4.070 ( 2.007 5.446 3.877) 6.980 4.137 ( -0.821 5.838 1.626) 6.115 4.137 ( 0.821 5.838 1.626) 6.115 4.204 ( -3.501 -1.974 4.617) 6.121 4.204 ( 3.501 -1.974 4.617) 6.121 4.316 ( -2.276 -3.255 -4.360) 5.898 4.316 ( 2.276 -3.255 -4.360) 5.898 4.430 ( -4.826 12.312 1.088) 13.269 4.430 ( 4.826 12.312 1.088) 13.269 4.624 ( -2.848 0.286 -1.784) 3.373 4.624 ( 2.848 0.286 -1.784) 3.373 4.705 ( -4.588 -6.529 0.511) 7.996 4.705 ( 4.588 -6.529 0.511) 7.996 4.774 ( -2.819 -11.020 2.364) 11.618 4.774 ( 2.819 -11.020 2.364) 11.618 5.030 ( -2.769 2.652 -2.769) 4.730 5.030 ( 2.769 2.652 -2.769) 4.730 5.065 ( -2.531 0.675 -1.985) 3.286 5.065 ( 2.531 0.675 -1.985) 3.286 5.224 ( -3.597 -0.590 2.971) 4.703 5.224 ( 3.597 -0.590 2.971) 4.703 5.263 ( -3.236 -2.144 -0.026) 3.882 5.263 ( 3.236 -2.144 -0.026) 3.882 5.377 ( -3.161 0.207 -0.020) 3.168 5.377 ( 3.161 0.207 -0.020) 3.168 5.404 ( -1.098 -0.164 -0.614) 1.268 5.404 ( 1.098 -0.164 -0.614) 1.268 5.611 ( -2.089 4.440 -2.890) 5.695 5.611 ( 2.089 4.440 -2.890) 5.695 5.721 ( -3.685 -4.361 -7.579) 9.489 5.721 ( 3.685 -4.361 -7.579) 9.489 5.791 ( -1.615 3.379 -3.393) 5.053 5.791 ( 1.615 3.379 -3.393) 5.053 5.869 ( -0.234 -3.001 0.658) 3.081 5.869 ( 0.234 -3.001 0.658) 3.081 5.986 ( -4.133 2.377 -3.347) 5.825 5.986 ( 4.133 2.377 -3.347) 5.825 6.016 ( -5.238 -1.058 2.263) 5.803 6.016 ( 5.238 -1.058 2.263) 5.803 6.217 ( -3.449 0.275 0.492) 3.494 6.217 ( 3.449 0.275 0.492) 3.494 6.286 ( -2.724 -4.614 0.729) 5.407 6.286 ( 2.724 -4.614 0.729) 5.407 6.352 ( -2.318 3.635 4.653) 6.343 6.352 ( 2.318 3.635 4.653) 6.343 6.455 ( -3.731 -5.567 4.003) 7.805 6.455 ( 3.731 -5.567 4.003) 7.805 6.597 ( -2.245 0.392 0.618) 2.361 6.597 ( 2.245 0.392 0.618) 2.361 6.631 ( -1.971 -2.400 -0.339) 3.124 6.631 ( 1.971 -2.400 -0.339) 3.124 6.782 ( -0.582 2.528 -3.698) 4.517 6.782 ( 0.582 2.528 -3.698) 4.517 6.832 ( -0.882 -2.143 -3.600) 4.281 6.832 ( 0.882 -2.143 -3.600) 4.281 7.001 ( -2.163 4.108 1.363) 4.839 7.001 ( 2.163 4.108 1.363) 4.839 7.067 ( -2.309 -1.934 1.408) 3.325 7.067 ( 2.309 -1.934 1.408) 3.325 7.085 ( -3.470 2.173 -2.644) 4.874 7.085 ( 3.470 2.173 -2.644) 4.874 7.141 ( -2.727 -3.020 -1.968) 4.520 7.141 ( 2.727 -3.020 -1.968) 4.520 7.451 ( -2.420 4.847 -0.238) 5.423 7.451 ( 2.420 4.847 -0.238) 5.423 7.515 ( -2.859 -1.410 -1.480) 3.515 7.515 ( 2.859 -1.410 -1.480) 3.515 7.694 ( -2.780 4.130 -3.761) 6.239 7.694 ( 2.780 4.130 -3.761) 6.239 7.797 ( -2.848 -5.017 -4.970) 7.615 7.797 ( 2.848 -5.017 -4.970) 7.615 8.017 ( -2.947 4.523 1.642) 5.642 8.017 ( 2.947 4.523 1.642) 5.642 8.067 ( -3.350 -1.129 2.554) 4.361 8.067 ( 3.350 -1.129 2.554) 4.361 8.109 ( -2.815 4.402 5.515) 7.597 8.109 ( 2.815 4.402 5.515) 7.597 8.179 ( -2.938 1.504 4.990) 5.982 8.179 ( 2.938 1.504 4.990) 5.982 8.219 ( -0.701 -2.045 1.944) 2.908 8.219 ( 0.701 -2.045 1.944) 2.908 8.265 ( -4.737 -5.980 9.585) 12.251 8.265 ( 4.737 -5.980 9.585) 12.251 8.847 ( -6.399 9.964 -6.411) 13.466 8.847 ( 6.399 9.964 -6.411) 13.466 9.048 ( -10.066 -9.114 -6.310) 14.973 9.048 ( 10.066 -9.114 -6.310) 14.973 15.042 ( -0.014 0.019 0.279) 0.280 15.042 ( 0.014 0.019 0.279) 0.280 15.045 ( -0.135 -0.233 0.126) 0.297 15.045 ( 0.135 -0.233 0.126) 0.297 15.100 ( -0.494 1.388 -0.790) 1.672 15.100 ( 0.494 1.388 -0.790) 1.672 15.134 ( -0.036 -1.705 -1.253) 2.116 15.134 ( 0.036 -1.705 -1.253) 2.116 15.268 ( -0.056 0.846 0.730) 1.119 15.268 ( 0.056 0.846 0.730) 1.119 15.289 ( -0.180 -0.992 0.414) 1.090 15.289 ( 0.180 -0.992 0.414) 1.090 15.316 ( -1.194 0.701 -0.274) 1.412 15.316 ( 1.194 0.701 -0.274) 1.412 15.339 ( -1.918 -1.590 -0.635) 2.571 15.339 ( 1.918 -1.590 -0.635) 2.571 18.790 ( -1.471 0.539 0.304) 1.596 18.790 ( 1.471 0.539 0.304) 1.596 18.802 ( -1.452 -0.522 0.041) 1.543 18.802 ( 1.452 -0.522 0.041) 1.543 18.899 ( -0.794 0.832 -0.433) 1.228 18.899 ( 0.794 0.832 -0.433) 1.228 18.919 ( -1.205 -1.023 -0.789) 1.766 18.919 ( 1.205 -1.023 -0.789) 1.766 19.129 ( -0.787 0.617 0.297) 1.043 19.129 ( 0.787 0.617 0.297) 1.043 19.150 ( -1.306 -1.498 0.044) 1.987 19.150 ( 1.306 -1.498 0.044) 1.987 19.218 ( -0.397 0.272 -0.768) 0.906 19.218 ( 0.397 0.272 -0.768) 0.906 19.233 ( -0.852 -1.205 -0.866) 1.711 19.233 ( 0.852 -1.205 -0.866) 1.711 19.397 ( -1.004 1.124 1.746) 2.306 19.397 ( 1.004 1.124 1.746) 2.306 19.409 ( -0.538 0.072 1.512) 1.607 19.409 ( 0.538 0.072 1.512) 1.607 19.543 ( -0.985 0.732 0.095) 1.231 19.543 ( 0.985 0.732 0.095) 1.231 19.554 ( -0.333 -0.161 -0.100) 0.383 19.554 ( 0.333 -0.161 -0.100) 0.383 25.493 ( -0.182 0.094 -0.142) 0.249 25.493 ( 0.182 0.094 -0.142) 0.249 25.498 ( -0.175 -0.282 -0.156) 0.367 25.498 ( 0.175 -0.282 -0.156) 0.367 25.509 ( -0.150 0.056 -0.069) 0.174 25.509 ( 0.150 0.056 -0.069) 0.174 25.512 ( -0.262 -0.252 -0.092) 0.376 25.512 ( 0.262 -0.252 -0.092) 0.376 27.013 ( -1.636 2.216 4.749) 5.490 27.013 ( 1.636 2.216 4.749) 5.490 27.040 ( -2.108 -0.562 5.497) 5.914 27.040 ( 2.108 -0.562 5.497) 5.914 27.235 ( -3.824 5.194 1.726) 6.676 27.235 ( 3.824 5.194 1.726) 6.676 27.337 ( -2.314 -3.052 0.070) 3.831 27.337 ( 2.314 -3.052 0.070) 3.831 27.397 ( -2.108 7.715 0.951) 8.054 27.397 ( 2.108 7.715 0.951) 8.054 27.526 ( -2.879 -2.208 -0.075) 3.628 27.526 ( 2.879 -2.208 -0.075) 3.628 27.724 ( -6.328 7.278 -3.047) 10.114 27.724 ( 6.328 7.278 -3.047) 10.114 27.874 ( -5.553 -4.071 -4.573) 8.266 27.874 ( 5.553 -4.071 -4.573) 8.266 28.551 ( -4.178 3.864 1.821) 5.975 28.551 ( 4.178 3.864 1.821) 5.975 28.651 ( -3.112 -3.323 -0.104) 4.554 28.651 ( 3.112 -3.323 -0.104) 4.554 29.045 ( -5.239 -2.049 -1.862) 5.926 29.045 ( 5.239 -2.049 -1.862) 5.926 29.128 ( -3.193 -9.049 -3.957) 10.380 29.128 ( 3.193 -9.049 -3.957) 10.380 ======================= Grid point 70 (25/48) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 0.000 27.405) 27.405 1.086 ( 0.000 0.000 24.363) 24.363 1.267 ( 0.000 0.000 24.009) 24.009 1.645 ( 0.000 0.000 -3.794) 3.794 1.776 ( 0.000 0.000 11.392) 11.392 1.879 ( 0.000 0.000 -14.057) 14.057 1.911 ( 0.000 0.000 19.360) 19.360 2.095 ( 0.000 0.000 19.800) 19.800 2.204 ( 0.000 0.000 6.743) 6.743 2.279 ( 0.000 0.000 -0.541) 0.541 2.390 ( 0.000 0.000 -5.870) 5.870 2.469 ( 0.000 0.000 0.297) 0.297 2.479 ( 0.000 0.000 -11.817) 11.817 2.714 ( 0.000 0.000 1.241) 1.241 2.731 ( 0.000 0.000 -8.787) 8.787 2.783 ( 0.000 0.000 -5.312) 5.312 2.800 ( 0.000 0.000 -13.115) 13.115 2.856 ( 0.000 0.000 9.713) 9.713 2.904 ( 0.000 0.000 -6.042) 6.042 3.139 ( 0.000 0.000 -3.755) 3.755 3.141 ( 0.000 0.000 -3.150) 3.150 3.221 ( 0.000 0.000 -0.649) 0.649 3.366 ( 0.000 0.000 0.974) 0.974 3.414 ( 0.000 0.000 -17.029) 17.029 3.453 ( 0.000 0.000 -2.707) 2.707 3.504 ( 0.000 0.000 -3.371) 3.371 3.569 ( 0.000 0.000 8.571) 8.571 3.622 ( 0.000 0.000 1.876) 1.876 3.662 ( 0.000 0.000 2.561) 2.561 3.697 ( 0.000 0.000 -4.875) 4.875 3.842 ( 0.000 0.000 4.940) 4.940 3.888 ( 0.000 0.000 -5.875) 5.875 3.903 ( 0.000 0.000 -2.070) 2.070 3.950 ( 0.000 0.000 5.716) 5.716 3.978 ( 0.000 0.000 -2.712) 2.712 4.124 ( 0.000 0.000 -2.444) 2.444 4.256 ( 0.000 0.000 2.453) 2.453 4.322 ( 0.000 0.000 2.426) 2.426 4.327 ( 0.000 0.000 13.264) 13.264 4.350 ( 0.000 0.000 7.555) 7.555 4.372 ( 0.000 0.000 -6.467) 6.467 4.462 ( 0.000 0.000 4.117) 4.117 4.505 ( 0.000 0.000 -1.543) 1.543 4.529 ( 0.000 0.000 5.478) 5.478 4.616 ( 0.000 0.000 -6.196) 6.196 4.727 ( 0.000 0.000 7.218) 7.218 4.778 ( 0.000 0.000 13.502) 13.502 4.787 ( 0.000 0.000 -23.626) 23.626 4.932 ( 0.000 0.000 4.571) 4.571 4.940 ( 0.000 0.000 -0.094) 0.094 4.945 ( 0.000 0.000 0.119) 0.119 5.154 ( 0.000 0.000 4.704) 4.704 5.209 ( 0.000 0.000 -3.106) 3.106 5.241 ( 0.000 0.000 12.300) 12.300 5.281 ( 0.000 0.000 0.705) 0.705 5.371 ( 0.000 0.000 -7.325) 7.325 5.468 ( 0.000 0.000 11.117) 11.117 5.473 ( 0.000 0.000 2.978) 2.978 5.544 ( 0.000 0.000 -19.611) 19.611 5.578 ( 0.000 0.000 1.941) 1.941 5.597 ( 0.000 0.000 0.649) 0.649 5.636 ( 0.000 0.000 -2.976) 2.976 5.649 ( 0.000 0.000 1.712) 1.712 5.682 ( 0.000 0.000 -2.908) 2.908 5.795 ( 0.000 0.000 -8.959) 8.959 5.834 ( 0.000 0.000 0.352) 0.352 5.897 ( 0.000 0.000 -12.830) 12.830 5.906 ( 0.000 0.000 0.174) 0.174 6.063 ( 0.000 0.000 7.528) 7.528 6.108 ( 0.000 0.000 -1.426) 1.426 6.189 ( 0.000 0.000 -5.307) 5.307 6.280 ( 0.000 0.000 -2.663) 2.663 6.391 ( 0.000 0.000 10.734) 10.734 6.434 ( 0.000 0.000 7.696) 7.696 6.462 ( 0.000 0.000 7.891) 7.891 6.540 ( 0.000 0.000 0.475) 0.475 6.565 ( 0.000 0.000 0.592) 0.592 6.597 ( 0.000 0.000 5.491) 5.491 6.612 ( 0.000 0.000 -2.525) 2.525 6.632 ( 0.000 0.000 -1.382) 1.382 6.710 ( 0.000 0.000 -1.260) 1.260 6.750 ( 0.000 0.000 -2.848) 2.848 6.783 ( 0.000 0.000 -0.397) 0.397 6.784 ( 0.000 0.000 -2.485) 2.485 6.825 ( 0.000 0.000 -2.464) 2.464 6.884 ( 0.000 0.000 2.639) 2.639 6.885 ( 0.000 0.000 -8.414) 8.414 6.918 ( 0.000 0.000 -0.228) 0.228 6.944 ( 0.000 0.000 -2.173) 2.173 6.993 ( 0.000 0.000 -1.807) 1.807 7.140 ( 0.000 0.000 1.267) 1.267 7.151 ( 0.000 0.000 1.010) 1.010 7.197 ( 0.000 0.000 3.161) 3.161 7.284 ( 0.000 0.000 1.219) 1.219 7.285 ( 0.000 0.000 1.769) 1.769 7.303 ( 0.000 0.000 -1.494) 1.494 7.320 ( 0.000 0.000 -1.538) 1.538 7.336 ( 0.000 0.000 -1.542) 1.542 7.356 ( 0.000 0.000 0.975) 0.975 7.406 ( 0.000 0.000 -2.714) 2.714 7.439 ( 0.000 0.000 -0.900) 0.900 7.440 ( 0.000 0.000 -2.459) 2.459 7.535 ( 0.000 0.000 1.934) 1.934 7.539 ( 0.000 0.000 -1.601) 1.601 7.693 ( 0.000 0.000 3.103) 3.103 7.716 ( 0.000 0.000 1.644) 1.644 7.776 ( 0.000 0.000 0.395) 0.395 7.884 ( 0.000 0.000 -7.131) 7.131 7.985 ( 0.000 0.000 0.211) 0.211 7.986 ( 0.000 0.000 1.154) 1.154 8.058 ( 0.000 0.000 6.678) 6.678 8.139 ( 0.000 0.000 5.310) 5.310 8.153 ( 0.000 0.000 0.365) 0.365 8.182 ( 0.000 0.000 0.711) 0.711 8.314 ( 0.000 0.000 -5.029) 5.029 8.367 ( 0.000 0.000 -4.657) 4.657 8.492 ( 0.000 0.000 -2.943) 2.943 8.512 ( 0.000 0.000 -3.864) 3.864 9.144 ( 0.000 0.000 18.623) 18.623 9.759 ( 0.000 0.000 -13.349) 13.349 15.012 ( 0.000 0.000 0.347) 0.347 15.048 ( 0.000 0.000 0.442) 0.442 15.058 ( 0.000 0.000 -0.585) 0.585 15.080 ( 0.000 0.000 -1.074) 1.074 15.081 ( 0.000 0.000 -1.362) 1.362 15.081 ( 0.000 0.000 0.163) 0.163 15.127 ( 0.000 0.000 1.768) 1.768 15.185 ( 0.000 0.000 -1.036) 1.036 15.262 ( 0.000 0.000 0.752) 0.752 15.278 ( 0.000 0.000 -0.199) 0.199 15.292 ( 0.000 0.000 1.113) 1.113 15.331 ( 0.000 0.000 0.632) 0.632 15.335 ( 0.000 0.000 -1.050) 1.050 15.338 ( 0.000 0.000 0.602) 0.602 15.383 ( 0.000 0.000 1.030) 1.030 15.462 ( 0.000 0.000 -3.159) 3.159 18.733 ( 0.000 0.000 1.051) 1.051 18.758 ( 0.000 0.000 0.807) 0.807 18.776 ( 0.000 0.000 -1.098) 1.098 18.800 ( 0.000 0.000 -1.359) 1.359 18.833 ( 0.000 0.000 0.631) 0.631 18.854 ( 0.000 0.000 -0.308) 0.308 18.917 ( 0.000 0.000 0.685) 0.685 18.964 ( 0.000 0.000 -1.715) 1.715 19.123 ( 0.000 0.000 2.457) 2.457 19.143 ( 0.000 0.000 2.033) 2.033 19.190 ( 0.000 0.000 -1.145) 1.145 19.201 ( 0.000 0.000 1.063) 1.063 19.235 ( 0.000 0.000 -0.699) 0.699 19.235 ( 0.000 0.000 -2.284) 2.284 19.293 ( 0.000 0.000 0.268) 0.268 19.299 ( 0.000 0.000 0.422) 0.422 19.368 ( 0.000 0.000 0.618) 0.618 19.370 ( 0.000 0.000 0.486) 0.486 19.384 ( 0.000 0.000 0.338) 0.338 19.401 ( 0.000 0.000 0.277) 0.277 19.457 ( 0.000 0.000 0.369) 0.369 19.483 ( 0.000 0.000 -1.354) 1.354 19.576 ( 0.000 0.000 0.916) 0.916 19.615 ( 0.000 0.000 -0.926) 0.926 25.478 ( 0.000 0.000 -0.308) 0.308 25.486 ( 0.000 0.000 -0.594) 0.594 25.490 ( 0.000 0.000 -0.564) 0.564 25.490 ( 0.000 0.000 -0.617) 0.617 25.509 ( 0.000 0.000 0.073) 0.073 25.512 ( 0.000 0.000 -0.092) 0.092 25.518 ( 0.000 0.000 0.846) 0.846 25.538 ( 0.000 0.000 -0.069) 0.069 26.705 ( 0.000 0.000 4.560) 4.560 26.871 ( 0.000 0.000 -2.649) 2.649 26.935 ( 0.000 0.000 3.152) 3.152 27.087 ( 0.000 0.000 -5.455) 5.455 27.141 ( 0.000 0.000 2.796) 2.796 27.185 ( 0.000 0.000 0.566) 0.566 27.230 ( 0.000 0.000 6.962) 6.962 27.296 ( 0.000 0.000 2.872) 2.872 27.402 ( 0.000 0.000 -1.595) 1.595 27.549 ( 0.000 0.000 -8.602) 8.602 27.600 ( 0.000 0.000 5.039) 5.039 27.797 ( 0.000 0.000 9.876) 9.876 27.852 ( 0.000 0.000 12.804) 12.804 27.875 ( 0.000 0.000 -7.267) 7.267 28.084 ( 0.000 0.000 2.752) 2.752 28.116 ( 0.000 0.000 -6.693) 6.693 28.240 ( 0.000 0.000 -6.193) 6.193 28.447 ( 0.000 0.000 -16.116) 16.116 28.464 ( 0.000 0.000 13.376) 13.376 28.706 ( 0.000 0.000 2.372) 2.372 29.007 ( 0.000 0.000 -1.306) 1.306 29.176 ( 0.000 0.000 4.039) 4.039 29.188 ( 0.000 0.000 -11.153) 11.153 29.287 ( 0.000 0.000 -2.220) 2.220 ======================= Grid point 71 (26/48) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 7.005 0.000 22.630) 23.689 1.289 ( 18.498 0.000 17.838) 25.697 1.343 ( 7.443 0.000 22.271) 23.481 1.763 ( -4.857 0.000 11.416) 12.406 1.782 ( 10.782 0.000 -4.370) 11.634 1.842 ( 7.086 0.000 8.830) 11.322 2.053 ( 3.601 0.000 0.490) 3.634 2.203 ( 10.523 0.000 13.263) 16.931 2.214 ( 3.700 0.000 6.521) 7.497 2.323 ( 4.113 0.000 -0.011) 4.113 2.408 ( 2.062 0.000 -5.496) 5.870 2.472 ( 0.100 0.000 0.029) 0.104 2.489 ( 0.713 0.000 -9.188) 9.215 2.676 ( -3.504 0.000 0.292) 3.516 2.685 ( -5.297 0.000 1.181) 5.427 2.751 ( -0.960 0.000 -12.216) 12.254 2.768 ( -2.107 0.000 -8.775) 9.024 2.788 ( -2.113 0.000 2.407) 3.203 3.017 ( 5.382 0.000 4.436) 6.975 3.079 ( -4.821 0.000 -3.173) 5.772 3.102 ( -3.499 0.000 -4.877) 6.002 3.240 ( 2.543 0.000 -0.892) 2.695 3.335 ( -1.743 0.000 -2.097) 2.727 3.408 ( -9.841 0.000 3.710) 10.517 3.454 ( 3.500 0.000 -13.739) 14.178 3.521 ( 4.412 0.000 -1.544) 4.674 3.550 ( 3.655 0.000 -5.108) 6.281 3.583 ( -5.088 0.000 2.082) 5.497 3.747 ( 1.763 0.000 -5.642) 5.911 3.750 ( 7.796 0.000 6.131) 9.918 3.766 ( -2.160 0.000 4.992) 5.439 3.860 ( -5.005 0.000 4.095) 6.467 3.862 ( -2.391 0.000 -3.459) 4.205 3.975 ( -0.358 0.000 -5.500) 5.512 4.025 ( 7.201 0.000 -0.607) 7.227 4.114 ( -2.687 0.000 -2.545) 3.700 4.253 ( -5.383 0.000 8.048) 9.683 4.301 ( 0.491 0.000 3.820) 3.852 4.318 ( -1.234 0.000 7.996) 8.090 4.377 ( 4.454 0.000 2.718) 5.218 4.429 ( 3.211 0.000 2.475) 4.054 4.504 ( 0.529 0.000 1.341) 1.442 4.517 ( 4.905 0.000 3.396) 5.966 4.557 ( 4.071 0.000 -2.512) 4.784 4.687 ( 5.849 0.000 -3.027) 6.586 4.758 ( 2.741 0.000 6.165) 6.746 4.790 ( 2.085 0.000 10.994) 11.190 4.798 ( -2.721 0.000 -4.345) 5.127 4.861 ( 1.069 0.000 -9.440) 9.500 4.889 ( -4.682 0.000 -1.644) 4.962 4.990 ( 0.750 0.000 2.351) 2.468 5.147 ( -0.604 0.000 4.610) 4.649 5.236 ( 0.091 0.000 -2.031) 2.033 5.281 ( 0.436 0.000 0.981) 1.073 5.291 ( 5.577 0.000 3.450) 6.558 5.359 ( -4.802 0.000 -5.635) 7.404 5.387 ( -4.177 0.000 8.432) 9.410 5.429 ( -0.526 0.000 -10.934) 10.947 5.530 ( -5.319 0.000 -2.810) 6.016 5.569 ( 5.193 0.000 4.534) 6.894 5.581 ( -3.447 0.000 -4.445) 5.625 5.664 ( -2.425 0.000 -1.450) 2.825 5.676 ( 3.120 0.000 -1.292) 3.377 5.721 ( 4.327 0.000 -3.751) 5.727 5.777 ( -4.100 0.000 -2.149) 4.629 5.842 ( 1.796 0.000 -2.307) 2.924 5.868 ( -1.393 0.000 -6.462) 6.610 5.888 ( -1.820 0.000 -0.619) 1.923 5.993 ( -3.341 0.000 -0.181) 3.346 6.043 ( -10.990 0.000 -4.654) 11.935 6.165 ( 0.428 0.000 3.587) 3.613 6.291 ( -3.555 0.000 -2.469) 4.329 6.314 ( -4.929 0.000 9.310) 10.534 6.421 ( -2.995 0.000 2.899) 4.169 6.424 ( -4.794 0.000 2.247) 5.295 6.475 ( -7.030 0.000 -1.493) 7.187 6.539 ( -2.177 0.000 0.979) 2.387 6.560 ( -0.646 0.000 0.635) 0.906 6.596 ( 1.243 0.000 3.608) 3.816 6.628 ( -8.069 0.000 3.086) 8.639 6.663 ( -0.247 0.000 0.988) 1.019 6.673 ( -1.883 0.000 -0.228) 1.897 6.741 ( -5.399 0.000 -2.964) 6.159 6.752 ( -2.832 0.000 0.250) 2.843 6.764 ( -0.784 0.000 -2.669) 2.782 6.824 ( -4.400 0.000 -3.964) 5.922 6.837 ( -3.293 0.000 -4.637) 5.687 6.895 ( -1.598 0.000 -3.209) 3.585 6.954 ( -5.842 0.000 5.989) 8.367 6.978 ( 0.482 0.000 -3.388) 3.422 7.066 ( -4.843 0.000 -0.229) 4.849 7.066 ( -1.698 0.000 -2.849) 3.317 7.118 ( -8.218 0.000 0.459) 8.231 7.210 ( 0.094 0.000 1.419) 1.422 7.258 ( -2.229 0.000 2.107) 3.067 7.293 ( -4.999 0.000 0.565) 5.031 7.310 ( 3.930 0.000 3.551) 5.296 7.367 ( 1.461 0.000 1.226) 1.908 7.425 ( 6.487 0.000 1.272) 6.610 7.436 ( 1.834 0.000 -1.955) 2.680 7.557 ( 3.780 0.000 4.293) 5.720 7.609 ( 6.210 0.000 -2.064) 6.544 7.636 ( 5.150 0.000 -1.379) 5.331 7.716 ( 7.688 0.000 0.390) 7.698 7.721 ( 7.599 0.000 0.560) 7.619 7.728 ( 6.788 0.000 -4.203) 7.984 7.808 ( 6.370 0.000 -0.743) 6.413 7.902 ( 1.291 0.000 -6.362) 6.492 7.969 ( -0.754 0.000 -1.011) 1.262 8.020 ( -0.251 0.000 -3.407) 3.416 8.107 ( 3.634 0.000 6.348) 7.314 8.170 ( 4.547 0.000 3.623) 5.814 8.230 ( 7.969 0.000 4.059) 8.943 8.247 ( 2.390 0.000 1.415) 2.777 8.354 ( 2.637 0.000 -4.321) 5.062 8.376 ( 0.769 0.000 -3.994) 4.067 8.508 ( -0.261 0.000 -3.025) 3.036 8.542 ( 8.884 0.000 -3.027) 9.386 9.079 ( -6.442 0.000 17.531) 18.677 9.640 ( -10.648 0.000 -11.053) 15.347 15.017 ( 0.527 0.000 0.245) 0.581 15.050 ( 0.161 0.000 0.571) 0.594 15.054 ( -0.306 0.000 -0.817) 0.873 15.073 ( -0.387 0.000 -0.249) 0.460 15.079 ( -0.320 0.000 0.208) 0.381 15.095 ( 0.938 0.000 -1.905) 2.123 15.117 ( -0.939 0.000 1.741) 1.978 15.180 ( -0.509 0.000 -1.301) 1.397 15.263 ( 0.138 0.000 0.760) 0.772 15.277 ( -0.032 0.000 -0.079) 0.085 15.288 ( -0.419 0.000 1.062) 1.142 15.321 ( -0.699 0.000 -0.210) 0.730 15.324 ( -0.611 0.000 0.463) 0.767 15.332 ( -0.594 0.000 -0.357) 0.693 15.372 ( -1.042 0.000 0.930) 1.396 15.447 ( -1.431 0.000 -3.036) 3.356 18.741 ( 0.898 0.000 0.990) 1.337 18.770 ( 1.119 0.000 0.517) 1.233 18.785 ( 0.835 0.000 -0.740) 1.116 18.820 ( 1.192 0.000 -1.541) 1.949 18.839 ( 0.663 0.000 0.644) 0.924 18.859 ( 0.804 0.000 -0.450) 0.921 18.915 ( -0.262 0.000 0.627) 0.680 18.959 ( -0.494 0.000 -1.616) 1.690 19.124 ( 0.161 0.000 1.977) 1.984 19.139 ( -0.336 0.000 1.850) 1.881 19.183 ( -0.473 0.000 -1.040) 1.143 19.209 ( 0.766 0.000 1.177) 1.405 19.213 ( -0.967 0.000 -1.582) 1.854 19.256 ( 0.979 0.000 -1.260) 1.596 19.286 ( -0.698 0.000 0.331) 0.772 19.303 ( 0.220 0.000 -0.120) 0.251 19.355 ( -0.745 0.000 1.066) 1.301 19.359 ( -0.436 0.000 0.205) 0.482 19.397 ( 0.531 0.000 0.605) 0.805 19.398 ( -0.354 0.000 0.687) 0.773 19.465 ( 0.954 0.000 0.522) 1.087 19.491 ( 0.769 0.000 -0.748) 1.073 19.585 ( 0.346 0.000 0.592) 0.685 19.608 ( -0.767 0.000 -0.544) 0.940 25.482 ( 0.383 0.000 -0.345) 0.516 25.488 ( 0.213 0.000 -0.522) 0.563 25.493 ( 0.251 0.000 -0.485) 0.546 25.495 ( 0.483 0.000 -0.554) 0.735 25.508 ( -0.139 0.000 0.085) 0.163 25.510 ( -0.150 0.000 -0.087) 0.174 25.516 ( -0.154 0.000 0.801) 0.815 25.536 ( -0.161 0.000 -0.129) 0.206 26.762 ( 5.692 0.000 4.337) 7.156 26.903 ( 3.343 0.000 -1.607) 3.709 26.925 ( -0.676 0.000 3.228) 3.298 27.066 ( -1.010 0.000 -3.938) 4.066 27.177 ( -3.323 0.000 1.348) 3.586 27.179 ( 1.634 0.000 0.306) 1.663 27.212 ( -0.698 0.000 8.210) 8.240 27.271 ( 0.332 0.000 3.169) 3.186 27.398 ( -0.188 0.000 -1.911) 1.920 27.544 ( -1.903 0.000 -7.087) 7.338 27.584 ( -0.410 0.000 1.234) 1.301 27.641 ( -12.302 0.000 4.192) 12.997 27.738 ( -6.150 0.000 8.892) 10.811 27.845 ( -13.586 0.000 -1.077) 13.628 27.874 ( -4.671 0.000 0.859) 4.749 28.224 ( -12.071 0.000 -2.719) 12.373 28.318 ( 9.771 0.000 -0.276) 9.775 28.348 ( 9.362 0.000 -2.604) 9.718 28.630 ( 6.250 0.000 -1.343) 6.392 28.718 ( 0.878 0.000 1.782) 1.986 28.999 ( 1.576 0.000 0.855) 1.793 29.204 ( 1.785 0.000 -10.632) 10.781 29.240 ( 4.076 0.000 1.939) 4.514 29.339 ( 3.209 0.000 -4.298) 5.364 ======================= Grid point 72 (27/48) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 11.885 0.000 20.547) 23.737 1.522 ( 9.626 0.000 18.624) 20.965 1.674 ( 19.038 0.000 10.914) 21.944 1.693 ( -2.486 0.000 18.991) 19.153 1.950 ( 7.670 0.000 -2.104) 7.953 1.985 ( -8.235 0.000 11.514) 14.156 2.032 ( 8.893 0.000 -6.774) 11.179 2.346 ( 6.587 0.000 1.506) 6.757 2.351 ( 0.116 0.000 3.007) 3.010 2.404 ( 2.764 0.000 0.036) 2.764 2.473 ( 0.676 0.000 -0.109) 0.685 2.475 ( 3.376 0.000 -5.957) 6.847 2.486 ( 0.278 0.000 -2.827) 2.841 2.605 ( -2.787 0.000 -1.764) 3.298 2.616 ( -1.125 0.000 0.119) 1.131 2.685 ( -4.076 0.000 -1.076) 4.216 2.787 ( 1.069 0.000 0.731) 1.295 2.817 ( 4.923 0.000 -15.608) 16.366 2.947 ( -7.264 0.000 -0.428) 7.277 3.001 ( -7.052 0.000 -6.927) 9.885 3.112 ( 4.870 0.000 5.135) 7.077 3.278 ( 2.811 0.000 10.163) 10.545 3.323 ( -1.138 0.000 -2.037) 2.334 3.373 ( 7.735 0.000 -8.370) 11.397 3.445 ( -4.546 0.000 7.468) 8.743 3.522 ( 2.703 0.000 -8.511) 8.930 3.576 ( -6.133 0.000 1.999) 6.451 3.613 ( 2.075 0.000 -3.011) 3.657 3.710 ( 3.632 0.000 -2.904) 4.650 3.783 ( -4.134 0.000 -3.204) 5.230 3.837 ( 8.123 0.000 0.211) 8.126 3.867 ( 1.190 0.000 -4.230) 4.395 3.890 ( 5.090 0.000 0.039) 5.090 3.967 ( -2.300 0.000 -0.651) 2.391 4.046 ( -1.148 0.000 4.022) 4.183 4.144 ( 3.630 0.000 2.306) 4.301 4.150 ( -4.629 0.000 7.160) 8.526 4.277 ( -3.348 0.000 8.225) 8.880 4.289 ( -2.910 0.000 7.882) 8.402 4.368 ( 0.400 0.000 -2.482) 2.514 4.494 ( 3.172 0.000 3.968) 5.080 4.539 ( -0.060 0.000 0.190) 0.200 4.576 ( -1.934 0.000 -0.429) 1.981 4.697 ( 11.996 0.000 0.114) 11.997 4.736 ( -5.418 0.000 -1.393) 5.594 4.757 ( 0.452 0.000 5.179) 5.198 4.772 ( -4.323 0.000 2.974) 5.247 4.832 ( 6.024 0.000 0.173) 6.026 4.887 ( 2.755 0.000 -2.154) 3.497 4.929 ( 7.529 0.000 0.277) 7.534 5.031 ( 2.677 0.000 -0.255) 2.689 5.160 ( 3.337 0.000 2.734) 4.314 5.161 ( -3.983 0.000 -5.783) 7.022 5.270 ( -3.874 0.000 5.468) 6.701 5.294 ( -1.243 0.000 -8.094) 8.189 5.317 ( -1.148 0.000 -0.863) 1.436 5.419 ( 1.720 0.000 -4.548) 4.863 5.444 ( -4.532 0.000 -0.670) 4.582 5.453 ( -3.150 0.000 -3.422) 4.651 5.497 ( 1.539 0.000 -8.113) 8.258 5.580 ( -6.549 0.000 4.019) 7.684 5.602 ( -4.233 0.000 1.416) 4.464 5.668 ( -0.874 0.000 0.362) 0.946 5.697 ( 1.135 0.000 1.537) 1.911 5.792 ( 0.774 0.000 -2.416) 2.537 5.842 ( -5.224 0.000 0.682) 5.269 5.855 ( -1.910 0.000 1.073) 2.191 5.871 ( -1.112 0.000 -5.160) 5.278 5.917 ( 5.294 0.000 -5.186) 7.411 5.958 ( -1.047 0.000 -2.254) 2.485 6.041 ( -8.164 0.000 2.003) 8.406 6.143 ( -8.929 0.000 -6.019) 10.768 6.247 ( -5.339 0.000 -1.580) 5.568 6.276 ( -7.109 0.000 -5.602) 9.051 6.351 ( 2.790 0.000 6.175) 6.776 6.411 ( -3.746 0.000 2.853) 4.708 6.500 ( -6.248 0.000 3.694) 7.258 6.558 ( -0.404 0.000 0.414) 0.578 6.575 ( 3.975 0.000 0.419) 3.997 6.595 ( -1.181 0.000 0.929) 1.503 6.619 ( -3.794 0.000 -2.519) 4.554 6.653 ( 2.209 0.000 2.440) 3.291 6.691 ( -0.683 0.000 -1.114) 1.307 6.710 ( -0.831 0.000 0.171) 0.848 6.742 ( -2.738 0.000 1.122) 2.958 6.763 ( -1.964 0.000 -1.823) 2.680 6.771 ( -2.351 0.000 1.525) 2.803 6.841 ( -3.599 0.000 1.303) 3.827 6.864 ( -0.668 0.000 4.814) 4.860 6.993 ( -3.905 0.000 0.240) 3.912 6.997 ( 2.061 0.000 -5.412) 5.791 7.065 ( 2.891 0.000 -5.097) 5.859 7.068 ( -0.396 0.000 -1.825) 1.868 7.176 ( -6.088 0.000 1.558) 6.285 7.187 ( -4.445 0.000 1.022) 4.561 7.197 ( -2.355 0.000 -3.324) 4.073 7.321 ( -0.122 0.000 6.660) 6.661 7.421 ( -0.631 0.000 9.088) 9.110 7.467 ( 2.130 0.000 -0.715) 2.247 7.523 ( 2.334 0.000 3.077) 3.862 7.573 ( 4.095 0.000 1.268) 4.287 7.692 ( 0.417 0.000 -1.231) 1.300 7.732 ( 3.493 0.000 -0.279) 3.504 7.748 ( 3.191 0.000 -1.213) 3.414 7.833 ( 2.007 0.000 -2.975) 3.588 7.876 ( 3.828 0.000 -7.653) 8.557 7.897 ( -1.733 0.000 -6.605) 6.829 7.965 ( 0.401 0.000 -7.218) 7.229 8.039 ( 7.934 0.000 1.111) 8.012 8.047 ( 8.857 0.000 0.758) 8.889 8.167 ( 2.106 0.000 5.562) 5.947 8.244 ( 2.250 0.000 2.838) 3.622 8.264 ( 0.334 0.000 2.407) 2.430 8.336 ( -3.452 0.000 -0.634) 3.510 8.390 ( 0.692 0.000 -2.044) 2.158 8.400 ( 5.451 0.000 2.261) 5.901 8.530 ( 5.305 0.000 3.652) 6.440 8.835 ( 17.383 0.000 -6.956) 18.723 8.917 ( -9.687 0.000 15.052) 17.900 9.408 ( -12.727 0.000 -9.911) 16.131 15.032 ( 0.944 0.000 -0.005) 0.944 15.050 ( -0.015 0.000 -0.710) 0.710 15.054 ( 0.191 0.000 0.805) 0.827 15.064 ( -0.524 0.000 -0.098) 0.533 15.070 ( -0.449 0.000 0.415) 0.612 15.095 ( -1.262 0.000 1.363) 1.858 15.116 ( 1.214 0.000 -2.099) 2.425 15.164 ( -1.072 0.000 -1.820) 2.112 15.267 ( 0.240 0.000 0.742) 0.779 15.279 ( -0.412 0.000 0.950) 1.036 15.280 ( 0.395 0.000 -0.051) 0.399 15.312 ( -0.865 0.000 -0.788) 1.170 15.315 ( -0.122 0.000 0.350) 0.371 15.330 ( 1.046 0.000 -0.722) 1.271 15.347 ( -1.353 0.000 0.737) 1.541 15.410 ( -2.282 0.000 -2.631) 3.483 18.766 ( 1.562 0.000 0.858) 1.782 18.793 ( 1.017 0.000 -0.174) 1.032 18.802 ( 0.686 0.000 0.045) 0.687 18.822 ( -0.842 0.000 -0.211) 0.868 18.858 ( 1.305 0.000 0.550) 1.416 18.887 ( 1.760 0.000 -1.222) 2.143 18.906 ( -0.730 0.000 0.542) 0.909 18.945 ( -0.972 0.000 -1.458) 1.752 19.129 ( 0.285 0.000 1.263) 1.295 19.134 ( -0.106 0.000 1.520) 1.524 19.179 ( 0.178 0.000 -1.071) 1.085 19.199 ( -0.577 0.000 -1.625) 1.725 19.226 ( 0.918 0.000 1.190) 1.503 19.268 ( -1.128 0.000 0.552) 1.256 19.272 ( 0.695 0.000 -0.991) 1.210 19.299 ( -0.590 0.000 -0.839) 1.025 19.354 ( 0.679 0.000 1.366) 1.525 19.361 ( 0.632 0.000 0.442) 0.771 19.388 ( -0.641 0.000 1.110) 1.282 19.395 ( -0.610 0.000 0.611) 0.863 19.495 ( 2.057 0.000 0.572) 2.135 19.512 ( 1.381 0.000 -0.259) 1.405 19.576 ( -1.288 0.000 0.680) 1.456 19.583 ( -1.810 0.000 0.093) 1.813 25.490 ( 0.372 0.000 -0.230) 0.437 25.493 ( 0.341 0.000 -0.388) 0.517 25.499 ( 0.246 0.000 -0.166) 0.297 25.505 ( -0.153 0.000 0.110) 0.189 25.505 ( 0.026 0.000 -0.317) 0.318 25.508 ( 0.420 0.000 -0.288) 0.509 25.513 ( -0.201 0.000 0.579) 0.613 25.531 ( -0.387 0.000 -0.244) 0.457 26.908 ( 7.138 0.000 3.896) 8.132 26.927 ( 2.427 0.000 3.394) 4.172 26.998 ( 6.107 0.000 -0.021) 6.107 27.057 ( 0.221 0.000 -2.109) 2.121 27.078 ( -4.562 0.000 3.708) 5.879 27.165 ( -2.047 0.000 -0.251) 2.062 27.240 ( 3.142 0.000 4.444) 5.443 27.290 ( -1.287 0.000 2.758) 3.044 27.348 ( -7.145 0.000 4.837) 8.628 27.473 ( -3.875 0.000 -2.880) 4.828 27.481 ( -4.100 0.000 0.953) 4.209 27.567 ( -6.585 0.000 -4.055) 7.733 27.609 ( -3.790 0.000 3.711) 5.305 27.657 ( 0.799 0.000 -3.009) 3.113 27.767 ( -5.776 0.000 1.150) 5.889 27.985 ( -12.028 0.000 -1.217) 12.089 28.496 ( 8.195 0.000 0.081) 8.196 28.531 ( 8.625 0.000 -0.309) 8.630 28.682 ( -0.545 0.000 0.207) 0.583 28.720 ( -1.150 0.000 1.032) 1.545 29.090 ( 6.759 0.000 0.280) 6.765 29.254 ( 3.206 0.000 -8.949) 9.506 29.277 ( -0.649 0.000 0.519) 0.831 29.362 ( -0.850 0.000 -5.455) 5.521 ======================= Grid point 73 (28/48) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -7.362 0.000 18.758) 20.151 1.548 ( 7.362 0.000 18.758) 20.151 1.784 ( -11.139 0.000 18.110) 21.262 1.784 ( 11.139 0.000 18.110) 21.262 1.954 ( -8.680 0.000 3.297) 9.285 1.954 ( 8.680 0.000 3.297) 9.285 2.224 ( -11.078 0.000 -7.364) 13.303 2.224 ( 11.078 0.000 -7.364) 13.303 2.411 ( -1.134 0.000 0.302) 1.173 2.411 ( 1.134 0.000 0.302) 1.173 2.506 ( -1.204 0.000 0.232) 1.227 2.506 ( 1.204 0.000 0.232) 1.227 2.543 ( -4.898 0.000 0.110) 4.899 2.543 ( 4.898 0.000 0.110) 4.899 2.627 ( -1.794 0.000 -2.366) 2.969 2.627 ( 1.794 0.000 -2.366) 2.969 2.828 ( -4.056 0.000 -1.783) 4.430 2.828 ( 4.056 0.000 -1.783) 4.430 2.880 ( -3.781 0.000 -12.618) 13.173 2.880 ( 3.781 0.000 -12.618) 13.173 3.234 ( -6.802 0.000 4.222) 8.006 3.234 ( 6.802 0.000 4.222) 8.006 3.445 ( -6.976 0.000 -1.030) 7.052 3.445 ( 6.976 0.000 -1.030) 7.052 3.451 ( -4.465 0.000 4.786) 6.546 3.451 ( 4.465 0.000 4.786) 6.546 3.554 ( -4.127 0.000 -3.280) 5.272 3.554 ( 4.127 0.000 -3.280) 5.272 3.815 ( -5.213 0.000 -3.792) 6.446 3.815 ( 5.213 0.000 -3.792) 6.446 3.829 ( -7.899 0.000 -2.036) 8.157 3.829 ( 7.899 0.000 -2.036) 8.157 4.007 ( -5.274 0.000 -0.900) 5.350 4.007 ( 5.274 0.000 -0.900) 5.350 4.040 ( -10.789 0.000 0.987) 10.834 4.040 ( 10.789 0.000 0.987) 10.834 4.172 ( -6.844 0.000 14.138) 15.707 4.172 ( 6.844 0.000 14.138) 15.707 4.338 ( -6.313 0.000 3.162) 7.060 4.338 ( 6.313 0.000 3.162) 7.060 4.548 ( -2.352 0.000 -2.136) 3.177 4.548 ( 2.352 0.000 -2.136) 3.177 4.585 ( -7.184 0.000 -2.082) 7.479 4.585 ( 7.184 0.000 -2.082) 7.479 4.734 ( -1.261 0.000 7.342) 7.450 4.734 ( 1.261 0.000 7.342) 7.450 4.895 ( -5.978 0.000 -2.325) 6.415 4.895 ( 5.978 0.000 -2.325) 6.415 4.958 ( -4.988 0.000 1.749) 5.285 4.958 ( 4.988 0.000 1.749) 5.285 5.099 ( -5.980 0.000 -1.389) 6.139 5.099 ( 5.980 0.000 -1.389) 6.139 5.234 ( -1.857 0.000 -3.234) 3.730 5.234 ( 1.857 0.000 -3.234) 3.730 5.286 ( -5.233 0.000 -2.624) 5.854 5.286 ( 5.233 0.000 -2.624) 5.854 5.330 ( -7.203 0.000 1.523) 7.362 5.330 ( 7.203 0.000 1.523) 7.362 5.494 ( -1.790 0.000 -9.347) 9.517 5.494 ( 1.790 0.000 -9.347) 9.517 5.535 ( -1.687 0.000 2.703) 3.186 5.535 ( 1.687 0.000 2.703) 3.186 5.724 ( -5.806 0.000 3.497) 6.778 5.724 ( 5.806 0.000 3.497) 6.778 5.766 ( -5.388 0.000 3.998) 6.709 5.766 ( 5.388 0.000 3.998) 6.709 5.843 ( -3.755 0.000 -4.865) 6.145 5.843 ( 3.755 0.000 -4.865) 6.145 5.948 ( -1.568 0.000 -1.187) 1.966 5.948 ( 1.568 0.000 -1.187) 1.966 6.012 ( -3.937 0.000 -9.547) 10.327 6.012 ( 3.937 0.000 -9.547) 10.327 6.278 ( -6.896 0.000 -0.109) 6.897 6.278 ( 6.896 0.000 -0.109) 6.897 6.283 ( -6.623 0.000 -1.226) 6.736 6.283 ( 6.623 0.000 -1.226) 6.736 6.516 ( -4.446 0.000 3.885) 5.905 6.516 ( 4.446 0.000 3.885) 5.905 6.580 ( -0.538 0.000 -1.779) 1.858 6.580 ( 0.538 0.000 -1.779) 1.858 6.652 ( -3.248 0.000 -0.113) 3.250 6.652 ( 3.248 0.000 -0.113) 3.250 6.695 ( -1.665 0.000 2.239) 2.790 6.695 ( 1.665 0.000 2.239) 2.790 6.733 ( -0.567 0.000 1.889) 1.972 6.733 ( 0.567 0.000 1.889) 1.972 6.768 ( -3.640 0.000 2.446) 4.386 6.768 ( 3.640 0.000 2.446) 4.386 6.914 ( -4.203 0.000 1.546) 4.478 6.914 ( 4.203 0.000 1.546) 4.478 7.066 ( -4.695 0.000 -3.844) 6.068 7.066 ( 4.695 0.000 -3.844) 6.068 7.087 ( -2.796 0.000 -0.643) 2.869 7.087 ( 2.796 0.000 -0.643) 2.869 7.144 ( -2.798 0.000 -3.676) 4.620 7.144 ( 2.798 0.000 -3.676) 4.620 7.359 ( -3.566 0.000 9.034) 9.712 7.359 ( 3.566 0.000 9.034) 9.712 7.513 ( -2.318 0.000 2.318) 3.278 7.513 ( 2.318 0.000 2.318) 3.278 7.699 ( -6.468 0.000 0.047) 6.469 7.699 ( 6.468 0.000 0.047) 6.469 7.734 ( -2.588 0.000 -2.095) 3.330 7.734 ( 2.588 0.000 -2.095) 3.330 7.868 ( -1.639 0.000 -5.212) 5.464 7.868 ( 1.639 0.000 -5.212) 5.464 7.931 ( -2.263 0.000 -7.926) 8.242 7.931 ( 2.263 0.000 -7.926) 8.242 8.162 ( -3.369 0.000 3.888) 5.145 8.162 ( 3.369 0.000 3.888) 5.145 8.220 ( -6.911 0.000 1.991) 7.192 8.220 ( 6.911 0.000 1.991) 7.192 8.272 ( -0.745 0.000 2.199) 2.322 8.272 ( 0.745 0.000 2.199) 2.322 8.409 ( -1.398 0.000 -2.253) 2.651 8.409 ( 1.398 0.000 -2.253) 2.651 8.717 ( -10.898 0.000 12.094) 16.280 8.717 ( 10.898 0.000 12.094) 16.280 9.147 ( -14.622 0.000 -9.237) 17.295 9.147 ( 14.622 0.000 -9.237) 17.295 15.050 ( -0.711 0.000 0.022) 0.711 15.050 ( 0.711 0.000 0.022) 0.711 15.054 ( -0.390 0.000 -0.369) 0.536 15.054 ( 0.390 0.000 -0.369) 0.536 15.073 ( -0.874 0.000 1.184) 1.472 15.073 ( 0.874 0.000 1.184) 1.472 15.141 ( -1.319 0.000 -2.110) 2.488 15.141 ( 1.319 0.000 -2.110) 2.488 15.272 ( -0.313 0.000 0.806) 0.865 15.272 ( 0.313 0.000 0.806) 0.865 15.293 ( -0.929 0.000 -0.339) 0.989 15.293 ( 0.929 0.000 -0.339) 0.989 15.324 ( -0.969 0.000 0.512) 1.095 15.324 ( 0.969 0.000 0.512) 1.095 15.365 ( -2.260 0.000 -1.903) 2.954 15.365 ( 2.260 0.000 -1.903) 2.954 18.797 ( -1.583 0.000 0.550) 1.676 18.797 ( 1.583 0.000 0.550) 1.676 18.806 ( -0.267 0.000 -0.076) 0.278 18.806 ( 0.267 0.000 -0.076) 0.278 18.885 ( -1.339 0.000 0.507) 1.432 18.885 ( 1.339 0.000 0.507) 1.432 18.920 ( -1.556 0.000 -1.322) 2.041 18.920 ( 1.556 0.000 -1.322) 2.041 19.133 ( -0.111 0.000 1.203) 1.208 19.133 ( 0.111 0.000 1.203) 1.208 19.188 ( -0.578 0.000 -1.405) 1.519 19.188 ( 0.578 0.000 -1.405) 1.519 19.246 ( -1.129 0.000 0.897) 1.442 19.246 ( 1.129 0.000 0.897) 1.442 19.285 ( -0.724 0.000 -0.919) 1.170 19.285 ( 0.724 0.000 -0.919) 1.170 19.372 ( -0.979 0.000 1.313) 1.638 19.372 ( 0.979 0.000 1.313) 1.638 19.378 ( -1.015 0.000 0.589) 1.174 19.378 ( 1.015 0.000 0.589) 1.174 19.540 ( -2.449 0.000 0.423) 2.485 19.540 ( 2.449 0.000 0.423) 2.485 19.543 ( -1.836 0.000 0.307) 1.861 19.543 ( 1.836 0.000 0.307) 1.861 25.497 ( -0.301 0.000 -0.060) 0.307 25.497 ( 0.301 0.000 -0.060) 0.307 25.500 ( -0.326 0.000 -0.257) 0.415 25.500 ( 0.326 0.000 -0.257) 0.415 25.508 ( -0.305 0.000 0.276) 0.411 25.508 ( 0.305 0.000 0.276) 0.411 25.521 ( -0.629 0.000 -0.349) 0.719 25.521 ( 0.629 0.000 -0.349) 0.719 26.957 ( -2.685 0.000 3.649) 4.530 26.957 ( 2.685 0.000 3.649) 4.530 27.073 ( -0.537 0.000 -1.520) 1.612 27.073 ( 0.537 0.000 -1.520) 1.612 27.155 ( -10.408 0.000 4.237) 11.238 27.155 ( 10.408 0.000 4.237) 11.238 27.184 ( -6.508 0.000 2.949) 7.145 27.184 ( 6.508 0.000 2.949) 7.145 27.354 ( -7.111 0.000 3.855) 8.088 27.354 ( 7.111 0.000 3.855) 8.088 27.462 ( -2.747 0.000 -4.571) 5.332 27.462 ( 2.747 0.000 -4.571) 5.332 27.656 ( -5.505 0.000 0.327) 5.515 27.656 ( 5.505 0.000 0.327) 5.515 27.776 ( -9.136 0.000 -2.091) 9.372 27.776 ( 9.136 0.000 -2.091) 9.372 28.626 ( -5.027 0.000 0.804) 5.091 28.626 ( 5.027 0.000 0.804) 5.091 28.663 ( -4.853 0.000 0.525) 4.881 28.663 ( 4.853 0.000 0.525) 4.881 29.215 ( -5.410 0.000 -0.137) 5.412 29.215 ( 5.410 0.000 -0.137) 5.412 29.319 ( -3.205 0.000 -6.869) 7.580 29.319 ( 3.205 0.000 -6.869) 7.580 ======================= Grid point 77 (29/48) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.000 7.143 24.190) 25.223 1.276 ( 0.000 11.911 21.935) 24.960 1.410 ( 0.000 11.803 12.973) 17.538 1.638 ( 0.000 2.855 4.878) 5.652 1.816 ( 0.000 4.002 0.780) 4.078 1.918 ( 0.000 3.166 -14.557) 14.897 2.051 ( 0.000 11.904 18.941) 22.371 2.158 ( 0.000 -8.870 3.009) 9.367 2.170 ( 0.000 7.877 5.639) 9.687 2.306 ( 0.000 -8.957 -4.122) 9.860 2.461 ( 0.000 3.905 2.033) 4.402 2.471 ( 0.000 -2.524 1.035) 2.728 2.591 ( 0.000 11.746 5.529) 12.982 2.614 ( 0.000 -9.402 0.209) 9.404 2.675 ( 0.000 5.240 -7.074) 8.803 2.761 ( 0.000 8.362 -2.943) 8.865 2.764 ( 0.000 2.403 -6.570) 6.996 2.973 ( 0.000 4.398 2.672) 5.147 2.983 ( 0.000 -5.834 -5.991) 8.363 3.030 ( 0.000 -0.624 -4.385) 4.429 3.084 ( 0.000 -3.070 -7.294) 7.913 3.196 ( 0.000 -3.391 -5.221) 6.225 3.378 ( 0.000 -0.202 -4.215) 4.220 3.383 ( 0.000 -0.083 0.479) 0.486 3.450 ( 0.000 -4.719 -3.163) 5.681 3.464 ( 0.000 0.031 -5.091) 5.091 3.610 ( 0.000 -3.007 0.608) 3.068 3.664 ( 0.000 9.166 9.358) 13.100 3.676 ( 0.000 1.026 1.253) 1.620 3.766 ( 0.000 5.081 -5.309) 7.348 3.836 ( 0.000 -1.128 5.464) 5.579 3.859 ( 0.000 0.521 1.099) 1.216 3.934 ( 0.000 0.168 3.750) 3.754 4.031 ( 0.000 4.155 -0.139) 4.158 4.044 ( 0.000 6.951 -4.059) 8.049 4.122 ( 0.000 -0.862 -3.918) 4.011 4.164 ( 0.000 -3.137 0.069) 3.138 4.291 ( 0.000 -0.642 2.301) 2.388 4.306 ( 0.000 -1.188 5.118) 5.254 4.364 ( 0.000 -0.416 -3.821) 3.844 4.393 ( 0.000 2.474 9.595) 9.909 4.482 ( 0.000 0.659 0.149) 0.676 4.509 ( 0.000 -0.277 1.269) 1.299 4.566 ( 0.000 1.788 -0.805) 1.961 4.639 ( 0.000 -1.171 -2.153) 2.451 4.701 ( 0.000 -5.743 8.930) 10.617 4.715 ( 0.000 -2.822 -0.930) 2.971 4.850 ( 0.000 1.069 0.897) 1.396 4.853 ( 0.000 4.895 0.350) 4.908 5.022 ( 0.000 5.842 -1.287) 5.982 5.074 ( 0.000 9.064 1.898) 9.260 5.083 ( 0.000 -7.223 9.821) 12.192 5.207 ( 0.000 -0.485 -2.400) 2.448 5.261 ( 0.000 -1.449 -1.163) 1.857 5.352 ( 0.000 2.737 0.756) 2.839 5.373 ( 0.000 0.495 -4.128) 4.158 5.395 ( 0.000 -5.813 -0.229) 5.818 5.467 ( 0.000 -5.342 3.595) 6.440 5.487 ( 0.000 0.800 5.955) 6.008 5.565 ( 0.000 2.420 -9.729) 10.025 5.576 ( 0.000 -4.557 1.105) 4.689 5.589 ( 0.000 -3.086 -1.777) 3.561 5.666 ( 0.000 5.155 -8.050) 9.559 5.694 ( 0.000 -1.859 -7.210) 7.446 5.758 ( 0.000 -4.788 -2.646) 5.471 5.811 ( 0.000 -1.248 -2.386) 2.693 5.903 ( 0.000 -0.488 -10.566) 10.577 5.908 ( 0.000 1.862 0.130) 1.867 6.111 ( 0.000 3.806 2.591) 4.605 6.122 ( 0.000 -1.145 -0.707) 1.345 6.223 ( 0.000 1.991 0.789) 2.141 6.235 ( 0.000 -4.129 -1.542) 4.408 6.255 ( 0.000 -3.239 5.169) 6.100 6.389 ( 0.000 -2.837 3.367) 4.403 6.499 ( 0.000 -2.953 2.273) 3.726 6.502 ( 0.000 -4.122 -1.941) 4.556 6.574 ( 0.000 -1.907 2.368) 3.041 6.592 ( 0.000 1.789 3.361) 3.807 6.593 ( 0.000 0.493 8.418) 8.433 6.629 ( 0.000 -1.962 -5.296) 5.648 6.700 ( 0.000 -3.578 -5.014) 6.159 6.762 ( 0.000 -0.164 -3.648) 3.652 6.768 ( 0.000 2.476 -1.123) 2.719 6.806 ( 0.000 1.817 -1.862) 2.602 6.818 ( 0.000 1.468 -0.053) 1.469 6.843 ( 0.000 1.337 0.893) 1.608 6.875 ( 0.000 -3.204 1.109) 3.391 6.958 ( 0.000 2.405 0.311) 2.425 6.971 ( 0.000 -1.261 -1.308) 1.817 7.038 ( 0.000 5.362 -1.485) 5.564 7.127 ( 0.000 -1.594 1.162) 1.973 7.145 ( 0.000 -0.501 0.393) 0.636 7.149 ( 0.000 -2.876 0.132) 2.880 7.194 ( 0.000 -4.036 -1.286) 4.236 7.229 ( 0.000 -4.701 1.666) 4.988 7.265 ( 0.000 -4.405 -0.988) 4.514 7.304 ( 0.000 0.447 -0.396) 0.597 7.331 ( 0.000 -0.791 -1.106) 1.360 7.385 ( 0.000 0.392 -0.044) 0.394 7.420 ( 0.000 -1.405 -1.591) 2.123 7.455 ( 0.000 5.296 2.177) 5.726 7.509 ( 0.000 3.817 -2.636) 4.639 7.553 ( 0.000 3.333 1.823) 3.799 7.605 ( 0.000 2.929 -1.899) 3.490 7.709 ( 0.000 -0.729 1.763) 1.908 7.722 ( 0.000 2.051 3.749) 4.273 7.851 ( 0.000 6.251 1.357) 6.397 7.868 ( 0.000 -0.769 -0.901) 1.185 7.978 ( 0.000 4.112 -1.848) 4.508 8.055 ( 0.000 -0.333 5.212) 5.222 8.111 ( 0.000 -2.095 4.026) 4.539 8.119 ( 0.000 2.419 -3.714) 4.432 8.173 ( 0.000 4.328 1.948) 4.746 8.214 ( 0.000 2.660 0.357) 2.684 8.263 ( 0.000 -3.823 -3.840) 5.419 8.368 ( 0.000 -0.172 -4.758) 4.761 8.492 ( 0.000 4.377 2.442) 5.012 8.681 ( 0.000 10.406 -8.181) 13.237 9.052 ( 0.000 -8.343 16.494) 18.484 9.566 ( 0.000 -15.774 -9.445) 18.385 15.019 ( 0.000 0.593 0.325) 0.676 15.048 ( 0.000 -0.011 0.352) 0.352 15.063 ( 0.000 0.338 0.240) 0.415 15.066 ( 0.000 -0.975 -0.028) 0.975 15.073 ( 0.000 -0.220 -1.081) 1.103 15.090 ( 0.000 0.496 -0.963) 1.083 15.123 ( 0.000 -0.411 0.700) 0.812 15.172 ( 0.000 -1.240 -1.165) 1.702 15.270 ( 0.000 0.775 0.761) 1.086 15.284 ( 0.000 0.623 -0.096) 0.630 15.294 ( 0.000 0.226 1.150) 1.172 15.325 ( 0.000 -0.622 0.772) 0.992 15.333 ( 0.000 -0.472 0.591) 0.757 15.341 ( 0.000 0.604 -1.152) 1.301 15.369 ( 0.000 -1.232 0.912) 1.533 15.441 ( 0.000 -1.807 -2.836) 3.362 18.731 ( 0.000 -0.017 1.130) 1.131 18.752 ( 0.000 -0.513 0.847) 0.991 18.788 ( 0.000 0.749 -1.908) 2.050 18.795 ( 0.000 -0.237 -1.304) 1.326 18.844 ( 0.000 0.802 0.335) 0.870 18.858 ( 0.000 0.517 -0.264) 0.581 18.909 ( 0.000 -0.824 0.609) 1.025 18.949 ( 0.000 -1.327 -1.487) 1.993 19.115 ( 0.000 -0.570 1.958) 2.039 19.141 ( 0.000 -0.137 1.147) 1.155 19.164 ( 0.000 -2.580 1.154) 2.826 19.202 ( 0.000 0.967 -0.619) 1.149 19.203 ( 0.000 -2.435 -0.765) 2.552 19.234 ( 0.000 -0.149 -1.820) 1.826 19.268 ( 0.000 -1.858 0.439) 1.909 19.292 ( 0.000 -1.283 -0.484) 1.371 19.371 ( 0.000 0.379 1.378) 1.429 19.372 ( 0.000 0.238 0.788) 0.823 19.376 ( 0.000 0.631 0.575) 0.853 19.396 ( 0.000 -0.450 0.545) 0.707 19.492 ( 0.000 2.567 0.511) 2.617 19.522 ( 0.000 2.541 -1.142) 2.785 19.576 ( 0.000 -0.075 0.827) 0.830 19.611 ( 0.000 -0.377 -0.860) 0.939 25.478 ( 0.000 -0.004 -0.338) 0.339 25.484 ( 0.000 -0.193 -0.518) 0.553 25.485 ( 0.000 -0.334 -0.543) 0.638 25.486 ( 0.000 -0.359 -0.610) 0.708 25.510 ( 0.000 0.079 0.003) 0.079 25.512 ( 0.000 0.028 -0.059) 0.065 25.517 ( 0.000 -0.031 0.757) 0.758 25.536 ( 0.000 -0.242 -0.087) 0.258 26.817 ( 0.000 7.981 2.787) 8.453 26.921 ( 0.000 5.535 -1.495) 5.733 27.010 ( 0.000 6.173 3.393) 7.044 27.116 ( 0.000 -1.056 6.346) 6.433 27.151 ( 0.000 6.222 -4.222) 7.519 27.155 ( 0.000 -2.291 6.235) 6.642 27.322 ( 0.000 6.118 -1.795) 6.376 27.396 ( 0.000 8.920 2.861) 9.367 27.486 ( 0.000 -5.453 -8.342) 9.966 27.489 ( 0.000 7.069 -1.444) 7.215 27.615 ( 0.000 1.518 6.194) 6.377 27.788 ( 0.000 -1.965 11.264) 11.434 27.887 ( 0.000 4.574 10.258) 11.232 27.920 ( 0.000 1.556 -7.103) 7.272 28.025 ( 0.000 -3.299 1.027) 3.455 28.157 ( 0.000 -7.646 -5.305) 9.306 28.217 ( 0.000 8.323 -7.437) 11.162 28.406 ( 0.000 -3.108 -14.676) 15.002 28.416 ( 0.000 -4.930 13.039) 13.940 28.667 ( 0.000 -2.819 3.091) 4.183 29.004 ( 0.000 -0.336 -3.488) 3.504 29.068 ( 0.000 -9.198 3.874) 9.981 29.099 ( 0.000 -8.094 -10.086) 12.932 29.180 ( 0.000 -7.920 -2.784) 8.395 ======================= Grid point 78 (30/48) ======================= q-point: ( 0.17 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 13.377 8.490 18.232) 24.154 1.412 ( 10.353 15.533 14.004) 23.336 1.486 ( 8.822 10.888 14.682) 20.296 1.653 ( 1.235 -0.598 6.683) 6.823 1.888 ( 10.549 3.803 0.426) 11.222 2.023 ( 3.340 10.114 6.481) 12.468 2.143 ( 11.460 -0.010 1.193) 11.522 2.173 ( 2.200 3.370 4.236) 5.843 2.209 ( 2.670 1.725 4.200) 5.267 2.313 ( 1.366 -8.533 -2.977) 9.140 2.416 ( -2.731 -2.188 4.295) 5.540 2.483 ( -0.059 0.032 -4.245) 4.246 2.574 ( -1.249 12.203 4.810) 13.176 2.622 ( 1.199 -7.618 0.395) 7.722 2.646 ( -1.742 -4.139 -4.916) 6.659 2.712 ( -3.787 9.260 -5.523) 11.428 2.799 ( -1.358 3.985 -1.562) 4.490 2.889 ( -1.443 5.560 -3.267) 6.608 2.975 ( -0.909 -7.600 -1.638) 7.827 3.061 ( -1.744 0.088 -4.377) 4.712 3.077 ( 0.326 3.001 -0.342) 3.038 3.258 ( 5.188 -2.601 -7.333) 9.352 3.304 ( -5.998 -1.403 -2.670) 6.714 3.335 ( -1.235 -5.016 -2.475) 5.728 3.462 ( -0.312 1.508 -0.044) 1.541 3.523 ( 3.631 -0.077 -2.397) 4.352 3.582 ( -1.779 -1.422 -0.293) 2.296 3.637 ( 0.597 6.489 -2.085) 6.842 3.713 ( -1.479 -0.149 3.439) 3.747 3.775 ( -0.442 0.735 0.337) 0.922 3.839 ( 2.157 1.871 0.397) 2.883 3.874 ( -0.594 4.771 4.766) 6.770 3.904 ( 0.555 0.847 -1.052) 1.461 3.987 ( 0.115 1.786 2.316) 2.927 4.048 ( -0.054 5.549 -4.156) 6.933 4.140 ( -0.926 0.526 1.944) 2.217 4.200 ( 0.572 -1.389 -0.728) 1.670 4.267 ( -1.057 -3.575 5.477) 6.626 4.344 ( 1.186 0.211 5.033) 5.175 4.362 ( 2.551 -0.664 0.712) 2.730 4.455 ( 4.979 2.162 1.542) 5.643 4.523 ( 4.037 0.007 1.122) 4.190 4.552 ( 0.076 2.748 1.617) 3.189 4.566 ( 3.940 1.159 1.650) 4.426 4.642 ( -4.202 -7.529 9.127) 12.556 4.697 ( 4.544 -0.293 -6.129) 7.635 4.781 ( 3.840 -2.085 -2.675) 5.123 4.806 ( -2.482 0.077 4.686) 5.303 4.873 ( 2.027 4.923 -2.305) 5.802 5.011 ( -1.956 2.912 7.117) 7.935 5.029 ( -3.167 7.863 -6.250) 10.531 5.074 ( -0.111 -4.836 7.012) 8.518 5.220 ( 0.758 -2.155 -2.129) 3.123 5.261 ( 1.154 -1.604 -0.269) 1.994 5.315 ( -3.659 -5.737 -0.594) 6.831 5.381 ( -1.023 2.768 -3.065) 4.255 5.401 ( 1.517 -2.284 -4.356) 5.147 5.422 ( -1.555 4.201 1.501) 4.724 5.490 ( -0.867 -3.486 -1.404) 3.857 5.566 ( -3.681 -0.149 -1.124) 3.851 5.583 ( -1.975 -0.467 -1.365) 2.446 5.594 ( 1.363 -1.426 -0.131) 1.977 5.663 ( 2.337 -4.346 -3.721) 6.180 5.697 ( -2.535 -4.262 -6.600) 8.255 5.734 ( 1.833 1.538 1.379) 2.762 5.800 ( -0.383 -0.668 -3.748) 3.826 5.854 ( -3.232 -1.526 -4.519) 5.762 5.933 ( -0.442 0.079 -5.375) 5.394 6.042 ( -6.242 2.980 2.312) 7.293 6.064 ( -6.090 1.111 0.094) 6.191 6.145 ( -3.082 -1.670 1.204) 3.706 6.217 ( -4.091 -1.054 -0.865) 4.312 6.291 ( 1.558 -2.240 -0.368) 2.753 6.377 ( -2.959 -2.892 2.390) 4.778 6.422 ( -3.697 -2.842 -2.203) 5.158 6.497 ( -5.225 1.678 4.780) 7.278 6.524 ( -0.542 -1.956 2.272) 3.046 6.555 ( -4.939 -0.413 3.168) 5.882 6.598 ( -0.355 -2.131 0.341) 2.187 6.613 ( -3.824 -1.338 0.996) 4.172 6.658 ( -5.953 -1.721 -1.618) 6.405 6.701 ( -7.699 0.147 0.939) 7.758 6.711 ( -0.099 2.506 -1.433) 2.889 6.750 ( -0.377 0.383 -3.036) 3.083 6.792 ( -0.208 2.449 -1.014) 2.659 6.818 ( -4.942 0.141 -1.905) 5.299 6.831 ( -3.811 -0.735 0.702) 3.944 6.871 ( -4.036 -0.606 -2.048) 4.566 6.942 ( -3.788 -1.270 3.724) 5.462 6.997 ( -1.510 -2.269 -2.405) 3.635 7.026 ( -2.742 -2.192 -0.829) 3.607 7.064 ( -4.752 0.581 -1.914) 5.156 7.088 ( -5.052 -0.497 1.029) 5.180 7.191 ( -0.429 -1.503 -2.528) 2.972 7.232 ( -1.797 -2.750 0.981) 3.428 7.243 ( -3.903 -3.485 1.415) 5.420 7.357 ( 4.849 2.489 2.757) 6.108 7.386 ( 0.865 3.248 0.245) 3.370 7.413 ( 5.711 -0.447 0.621) 5.762 7.465 ( 3.710 1.723 -2.982) 5.062 7.580 ( 4.237 1.404 2.152) 4.955 7.619 ( 8.256 -1.125 -0.902) 8.381 7.655 ( 3.265 1.752 0.291) 3.717 7.690 ( 5.230 1.901 -1.817) 5.854 7.723 ( 3.660 1.259 3.074) 4.943 7.777 ( 8.976 1.233 1.188) 9.138 7.892 ( 5.431 2.459 -1.718) 6.204 7.895 ( 2.181 3.055 -0.721) 3.823 8.002 ( 1.818 4.310 -1.301) 4.855 8.072 ( 0.867 0.784 0.964) 1.515 8.134 ( 3.028 1.485 3.991) 5.225 8.157 ( 3.604 0.969 0.260) 3.741 8.241 ( 4.539 0.344 2.422) 5.156 8.253 ( 2.786 -0.303 -2.735) 3.916 8.334 ( 5.332 1.011 1.797) 5.717 8.401 ( 2.865 1.977 -4.451) 5.651 8.518 ( 5.462 1.187 -0.642) 5.626 8.655 ( -1.824 8.741 -6.747) 11.191 8.991 ( -5.924 -7.856 15.433) 18.303 9.478 ( -8.130 -13.717 -9.166) 18.392 15.023 ( 0.428 0.507 0.237) 0.705 15.049 ( 0.098 -0.066 0.416) 0.432 15.056 ( -0.351 0.045 -0.360) 0.505 15.066 ( -0.161 -0.428 0.461) 0.649 15.080 ( 0.270 -0.150 -0.430) 0.530 15.086 ( -0.152 0.012 -0.887) 0.900 15.120 ( -0.365 -0.105 0.065) 0.385 15.166 ( -0.595 -1.286 -1.313) 1.932 15.269 ( -0.068 0.614 0.757) 0.977 15.283 ( -0.085 0.541 -0.023) 0.548 15.290 ( -0.415 0.209 1.107) 1.201 15.316 ( -0.735 -0.443 0.696) 1.105 15.323 ( -0.542 -0.276 0.194) 0.639 15.335 ( -0.645 0.377 -0.826) 1.114 15.359 ( -0.950 -1.139 0.799) 1.685 15.427 ( -1.389 -1.766 -2.699) 3.512 18.741 ( 0.953 0.039 1.018) 1.395 18.765 ( 1.209 -0.491 0.787) 1.524 18.788 ( 0.434 0.245 -1.163) 1.265 18.817 ( 1.181 -0.220 -1.752) 2.124 18.850 ( 0.592 0.762 0.308) 1.013 18.861 ( 0.489 0.307 -0.223) 0.619 18.908 ( -0.100 -0.676 0.509) 0.852 18.947 ( -0.274 -1.116 -1.457) 1.855 19.118 ( 0.305 -0.485 1.695) 1.789 19.138 ( -0.196 -0.004 1.117) 1.134 19.168 ( 0.262 -2.386 0.862) 2.551 19.196 ( -0.377 -1.029 -0.427) 1.176 19.200 ( -0.229 -0.001 -0.902) 0.931 19.236 ( 0.149 -0.966 -1.536) 1.821 19.260 ( -0.812 -1.896 0.402) 2.102 19.288 ( -0.510 -1.689 -0.806) 1.939 19.368 ( 0.239 0.983 0.971) 1.402 19.371 ( 0.261 1.323 0.998) 1.677 19.393 ( 1.156 0.089 1.146) 1.630 19.409 ( 0.727 0.305 0.497) 0.932 19.495 ( 0.267 2.264 0.551) 2.346 19.521 ( 0.011 2.158 -0.752) 2.285 19.582 ( 0.206 -0.315 0.582) 0.693 19.604 ( -0.784 -0.387 -0.542) 1.028 25.482 ( 0.353 -0.042 -0.359) 0.506 25.485 ( 0.159 -0.227 -0.428) 0.510 25.489 ( 0.286 -0.327 -0.472) 0.642 25.490 ( 0.442 -0.390 -0.522) 0.787 25.509 ( -0.126 0.067 -0.005) 0.143 25.510 ( -0.132 0.054 -0.053) 0.152 25.516 ( -0.111 -0.002 0.667) 0.676 25.534 ( -0.239 -0.272 -0.099) 0.376 26.858 ( 4.143 7.276 3.037) 8.907 26.936 ( 1.854 3.842 0.254) 4.273 27.005 ( -0.191 6.410 3.199) 7.166 27.102 ( -1.001 1.692 2.796) 3.418 27.163 ( 1.311 1.543 1.006) 2.261 27.203 ( 3.560 1.340 5.127) 6.384 27.295 ( -4.010 7.944 0.483) 8.912 27.366 ( -0.787 6.279 1.421) 6.485 27.455 ( -1.361 0.504 -3.667) 3.943 27.500 ( -0.234 0.598 -7.050) 7.079 27.594 ( -2.839 1.729 3.134) 4.568 27.669 ( -12.311 2.067 5.219) 13.530 27.737 ( -6.036 -0.245 8.234) 10.213 27.850 ( -9.901 -0.357 0.031) 9.907 27.928 ( -6.698 3.692 -3.934) 8.600 28.179 ( -11.432 -3.939 -2.013) 12.258 28.280 ( 10.075 -3.980 -0.630) 10.851 28.353 ( 8.767 2.556 -2.331) 9.425 28.595 ( 7.093 -3.290 -1.235) 7.916 28.683 ( 1.445 -2.710 2.180) 3.767 28.974 ( 0.251 -2.535 0.451) 2.587 29.118 ( 1.892 -7.924 -9.302) 12.365 29.145 ( 4.353 -7.764 0.360) 8.908 29.230 ( 3.275 -8.393 -4.081) 9.891 ======================= Grid point 79 (31/48) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 9.901 17.723 14.540) 24.971 1.598 ( 11.703 6.444 15.187) 20.227 1.688 ( 2.797 3.631 11.806) 12.664 1.739 ( 12.701 5.330 8.146) 16.003 2.059 ( 2.420 5.290 2.502) 6.332 2.077 ( 2.264 4.693 6.257) 8.142 2.180 ( -2.238 11.808 -0.366) 12.024 2.250 ( -0.164 -4.696 7.600) 8.936 2.314 ( 1.456 -3.301 1.362) 3.857 2.371 ( 8.466 -0.555 -0.846) 8.526 2.468 ( 0.013 -2.041 -4.950) 5.354 2.496 ( 10.225 -3.970 -4.040) 11.689 2.576 ( 0.807 4.265 0.423) 4.361 2.582 ( -4.516 -1.323 0.277) 4.714 2.651 ( -0.118 6.068 -2.923) 6.736 2.671 ( 1.094 2.212 -0.142) 2.472 2.735 ( -1.068 -3.800 -1.175) 4.118 2.892 ( -1.829 4.600 -5.161) 7.151 2.946 ( -5.521 2.838 -5.568) 8.339 2.987 ( -0.531 -2.005 -2.219) 3.037 3.146 ( 5.022 3.400 1.527) 6.254 3.179 ( -2.362 -1.610 0.234) 2.868 3.329 ( 2.152 -5.489 -0.342) 5.905 3.367 ( 1.539 -2.704 -2.860) 4.226 3.471 ( 0.824 1.762 -0.257) 1.961 3.506 ( -5.843 -1.626 -0.001) 6.065 3.563 ( 0.798 0.951 -3.334) 3.557 3.641 ( -1.378 1.662 -0.724) 2.277 3.708 ( -0.486 -6.018 -3.133) 6.803 3.764 ( 3.441 1.585 -2.115) 4.339 3.842 ( -2.103 3.398 -0.870) 4.090 3.883 ( -1.424 2.813 -1.444) 3.468 3.936 ( 5.315 4.752 4.019) 8.185 4.033 ( 1.087 5.521 1.277) 5.770 4.090 ( 1.038 1.629 4.752) 5.130 4.118 ( 4.957 1.258 4.267) 6.660 4.187 ( -0.491 2.327 5.610) 6.093 4.283 ( 0.370 -0.076 4.313) 4.329 4.342 ( -1.300 1.940 4.607) 5.166 4.357 ( -0.884 -0.648 0.507) 1.208 4.498 ( -5.832 -2.962 5.420) 8.495 4.536 ( -3.696 -4.625 -0.055) 5.920 4.571 ( 0.700 1.617 3.949) 4.324 4.601 ( 2.623 -0.267 -1.507) 3.037 4.672 ( 6.347 -0.810 4.202) 7.655 4.767 ( 3.449 -1.229 -5.658) 6.739 4.798 ( 4.244 0.148 -0.279) 4.255 4.859 ( 0.645 1.518 3.146) 3.553 4.937 ( 3.583 -0.467 -2.925) 4.649 4.951 ( -2.526 4.251 -3.082) 5.826 5.022 ( 4.353 -0.194 3.770) 5.762 5.111 ( 3.088 -1.778 -0.942) 3.686 5.204 ( -4.522 -1.026 -6.536) 8.013 5.229 ( -1.814 -2.175 3.752) 4.701 5.304 ( 1.552 -1.069 -0.319) 1.911 5.334 ( -3.266 1.679 -5.248) 6.405 5.386 ( -4.945 -2.787 0.069) 5.676 5.422 ( -2.958 0.341 -0.242) 2.987 5.464 ( 3.012 -2.904 -8.195) 9.202 5.496 ( -3.053 1.640 -4.294) 5.518 5.553 ( -2.217 -3.979 1.610) 4.831 5.565 ( -4.597 -2.094 1.863) 5.384 5.616 ( 1.049 -1.531 1.160) 2.189 5.715 ( 1.514 2.119 -0.634) 2.681 5.750 ( -1.635 -3.902 -0.662) 4.282 5.814 ( -1.277 -2.773 -2.510) 3.952 5.863 ( -5.463 -0.384 -1.961) 5.817 5.874 ( 7.216 -1.797 -0.849) 7.485 5.920 ( -5.687 3.709 -1.674) 6.992 5.967 ( -2.873 0.312 -2.832) 4.046 6.035 ( -7.695 -1.479 0.591) 7.858 6.148 ( -3.940 0.872 -8.528) 9.434 6.277 ( -6.219 2.850 -0.341) 6.849 6.284 ( -0.211 -3.684 2.931) 4.712 6.323 ( -5.001 2.544 -3.724) 6.734 6.386 ( -2.541 -3.351 2.045) 4.676 6.451 ( -8.084 -2.354 4.050) 9.343 6.485 ( -2.904 -5.662 2.074) 6.693 6.560 ( 0.910 -1.321 1.458) 2.168 6.599 ( -0.346 -1.332 2.172) 2.571 6.603 ( -1.423 -3.366 -3.802) 5.273 6.646 ( 0.919 -1.323 4.037) 4.347 6.674 ( -3.687 -1.924 3.771) 5.614 6.708 ( -0.775 2.812 -1.418) 3.243 6.752 ( -3.088 1.105 0.851) 3.388 6.760 ( 0.230 0.497 -4.037) 4.074 6.803 ( -2.473 2.194 2.404) 4.087 6.824 ( -0.151 0.695 -0.035) 0.712 6.898 ( 0.504 0.434 1.673) 1.800 6.960 ( -1.978 -2.905 -3.171) 4.733 7.007 ( -0.887 -0.909 -1.166) 1.724 7.035 ( 2.251 -1.700 -1.365) 3.134 7.048 ( -1.484 1.378 -4.310) 4.763 7.160 ( -3.399 -2.513 -1.189) 4.391 7.170 ( -2.311 -1.101 -2.366) 3.486 7.179 ( -2.228 -2.188 -0.469) 3.158 7.381 ( 0.091 4.094 5.380) 6.761 7.433 ( 1.257 3.705 2.249) 4.513 7.506 ( 3.744 -0.852 1.753) 4.221 7.519 ( 0.751 1.702 3.547) 4.005 7.597 ( -0.420 2.470 1.686) 3.020 7.631 ( -0.491 -2.650 -1.723) 3.199 7.751 ( 3.221 -2.922 -3.330) 5.478 7.790 ( 3.157 0.414 -3.895) 5.031 7.809 ( 5.089 4.321 1.119) 6.769 7.900 ( 0.146 4.405 -1.034) 4.527 7.980 ( 7.041 1.407 -0.976) 7.246 8.010 ( 2.651 5.869 -3.416) 7.290 8.066 ( 5.815 1.697 1.154) 6.166 8.103 ( 3.027 3.860 -0.203) 4.910 8.174 ( 1.263 1.895 3.448) 4.132 8.241 ( 3.545 -0.494 3.921) 5.309 8.263 ( 0.719 -1.480 -0.992) 1.921 8.325 ( -1.961 1.126 4.195) 4.766 8.424 ( 6.860 0.952 8.358) 10.854 8.447 ( 3.216 4.567 -5.435) 7.794 8.574 ( -0.949 4.823 -4.062) 6.376 8.784 ( 10.168 -5.185 -1.840) 11.561 8.854 ( -4.148 -4.966 8.360) 10.571 9.292 ( -10.476 -10.183 -9.736) 17.557 15.035 ( 0.755 0.256 0.061) 0.799 15.051 ( 0.012 -0.040 -0.207) 0.211 15.053 ( 0.039 -0.043 0.537) 0.540 15.061 ( -0.368 -0.239 0.226) 0.493 15.073 ( -0.417 0.323 0.126) 0.543 15.087 ( -0.364 -0.400 0.287) 0.612 15.116 ( 0.318 -0.182 -1.656) 1.697 15.150 ( -0.981 -1.267 -1.673) 2.316 15.269 ( 0.130 0.326 0.770) 0.846 15.281 ( -0.368 0.195 0.882) 0.975 15.285 ( 0.244 0.421 0.059) 0.490 15.310 ( -0.082 -0.466 0.472) 0.669 15.315 ( -0.671 0.246 -0.862) 1.120 15.324 ( 0.318 -0.541 -0.313) 0.701 15.337 ( -1.119 -0.857 0.565) 1.519 15.392 ( -2.130 -1.586 -2.245) 3.477 18.766 ( 1.524 0.048 0.845) 1.744 18.790 ( 1.177 -0.321 0.351) 1.270 18.799 ( 0.486 -0.070 -0.404) 0.636 18.822 ( -0.677 -0.114 -0.576) 0.896 18.866 ( 1.063 0.621 0.310) 1.269 18.883 ( 1.516 -0.300 -0.839) 1.758 18.903 ( -0.409 -0.316 0.257) 0.577 18.937 ( -0.790 -0.745 -1.360) 1.741 19.127 ( 0.521 -0.249 1.245) 1.372 19.136 ( -0.027 0.203 1.071) 1.091 19.173 ( 0.293 -1.361 -0.004) 1.392 19.190 ( -0.327 -1.017 -1.076) 1.516 19.201 ( 0.462 -0.627 -0.001) 0.779 19.239 ( -1.171 -1.951 0.371) 2.305 19.240 ( 0.271 -1.961 -1.123) 2.276 19.272 ( -1.054 -2.121 -1.067) 2.598 19.379 ( 0.966 1.502 1.309) 2.214 19.387 ( 1.036 2.164 1.027) 2.610 19.410 ( 0.508 1.082 1.100) 1.624 19.416 ( -0.069 1.261 0.799) 1.495 19.507 ( 1.157 1.145 0.520) 1.709 19.527 ( 0.660 1.207 -0.442) 1.445 19.574 ( -1.061 -0.242 0.481) 1.190 19.579 ( -1.730 -0.319 0.021) 1.759 25.489 ( 0.313 -0.158 -0.247) 0.429 25.490 ( 0.305 -0.180 -0.215) 0.415 25.495 ( 0.304 -0.307 -0.227) 0.488 25.500 ( 0.367 -0.411 -0.392) 0.676 25.506 ( 0.058 -0.013 -0.074) 0.096 25.507 ( -0.112 0.128 -0.078) 0.187 25.513 ( -0.203 0.001 0.434) 0.479 25.527 ( -0.444 -0.333 -0.162) 0.578 26.965 ( 5.891 4.600 3.613) 8.302 26.991 ( 2.838 4.611 3.037) 6.208 27.024 ( 3.042 4.021 2.211) 5.506 27.093 ( 0.481 3.163 2.793) 4.247 27.174 ( -0.796 5.243 0.993) 5.396 27.218 ( -1.908 6.029 1.507) 6.501 27.271 ( 3.272 2.636 4.623) 6.247 27.353 ( -1.935 3.113 1.772) 4.071 27.392 ( -8.743 6.009 3.046) 11.037 27.455 ( -3.524 -2.656 -1.648) 4.711 27.493 ( -2.992 0.942 -1.793) 3.613 27.533 ( -4.029 0.797 -2.255) 4.686 27.632 ( -2.932 0.736 0.068) 3.024 27.679 ( -4.507 1.248 2.999) 5.555 27.808 ( -5.156 2.664 -5.495) 7.993 27.955 ( -11.064 -2.577 -1.814) 11.504 28.464 ( 8.414 -2.218 1.631) 8.853 28.529 ( 8.389 0.210 -0.970) 8.447 28.655 ( -0.424 -1.848 1.557) 2.453 28.708 ( 0.066 -1.543 -0.487) 1.620 29.035 ( 5.378 -4.748 0.314) 7.181 29.167 ( 2.924 -7.798 -7.655) 11.312 29.190 ( -0.097 -7.587 -0.577) 7.610 29.260 ( -0.397 -8.453 -4.911) 9.783 ======================= Grid point 80 (32/48) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -2.846 9.607 16.509) 19.311 1.692 ( 2.846 9.607 16.509) 19.311 1.819 ( -7.557 6.508 11.317) 15.084 1.819 ( 7.557 6.508 11.317) 15.084 2.088 ( -4.011 9.539 4.186) 11.163 2.088 ( 4.011 9.539 4.186) 11.163 2.157 ( -4.608 -5.445 -0.329) 7.141 2.157 ( 4.608 -5.445 -0.329) 7.141 2.408 ( -5.702 -0.489 -1.738) 5.981 2.408 ( 5.702 -0.489 -1.738) 5.981 2.502 ( -2.214 -2.047 -1.445) 3.344 2.502 ( 2.214 -2.047 -1.445) 3.344 2.625 ( -1.752 5.991 1.349) 6.386 2.625 ( 1.752 5.991 1.349) 6.386 2.648 ( -1.264 2.530 -1.628) 3.263 2.648 ( 1.264 2.530 -1.628) 3.263 2.797 ( -5.522 -0.370 -1.425) 5.715 2.797 ( 5.522 -0.370 -1.425) 5.715 2.921 ( -2.910 3.787 -10.401) 11.445 2.921 ( 2.910 3.787 -10.401) 11.445 3.259 ( -2.487 1.488 0.510) 2.943 3.259 ( 2.487 1.488 0.510) 2.943 3.306 ( -7.845 -6.113 7.354) 12.369 3.306 ( 7.845 -6.113 7.354) 12.369 3.451 ( -6.490 -3.985 -5.846) 9.601 3.451 ( 6.490 -3.985 -5.846) 9.601 3.620 ( -5.868 0.423 -4.895) 7.653 3.620 ( 5.868 0.423 -4.895) 7.653 3.732 ( -6.565 -1.945 0.965) 6.915 3.732 ( 6.565 -1.945 0.965) 6.915 3.852 ( -1.999 2.179 -3.037) 4.239 3.852 ( 1.999 2.179 -3.037) 4.239 4.040 ( -4.408 4.604 4.883) 8.029 4.040 ( 4.408 4.604 4.883) 8.029 4.115 ( -6.658 3.694 4.738) 8.968 4.115 ( 6.658 3.694 4.738) 8.968 4.261 ( -6.968 4.877 4.464) 9.606 4.261 ( 6.968 4.877 4.464) 9.606 4.344 ( -5.505 2.373 6.179) 8.609 4.344 ( 5.505 2.373 6.179) 8.609 4.426 ( -1.279 -6.779 3.246) 7.624 4.426 ( 1.279 -6.779 3.246) 7.624 4.605 ( -1.798 -0.916 -3.656) 4.176 4.605 ( 1.798 -0.916 -3.656) 4.176 4.771 ( -4.826 2.525 3.231) 6.332 4.771 ( 4.826 2.525 3.231) 6.332 4.887 ( -5.227 -1.945 -2.263) 6.019 4.887 ( 5.227 -1.945 -2.263) 6.019 4.937 ( -5.461 -2.131 -2.539) 6.388 4.937 ( 5.461 -2.131 -2.539) 6.388 5.110 ( -4.142 0.247 3.666) 5.537 5.110 ( 4.142 0.247 3.666) 5.537 5.195 ( -4.752 -1.211 -5.344) 7.253 5.195 ( 4.752 -1.211 -5.344) 7.253 5.297 ( -3.034 0.396 -2.507) 3.955 5.297 ( 3.034 0.396 -2.507) 3.955 5.342 ( -4.839 1.637 0.829) 5.175 5.342 ( 4.839 1.637 0.829) 5.175 5.446 ( -1.923 -2.499 -3.873) 4.995 5.446 ( 1.923 -2.499 -3.873) 4.995 5.565 ( -2.406 -2.277 0.015) 3.313 5.565 ( 2.406 -2.277 0.015) 3.313 5.696 ( -3.954 -2.187 1.492) 4.759 5.696 ( 3.954 -2.187 1.492) 4.759 5.740 ( -2.580 -0.343 2.252) 3.441 5.740 ( 2.580 -0.343 2.252) 3.441 5.845 ( -1.931 1.276 -4.782) 5.312 5.845 ( 1.931 1.276 -4.782) 5.312 5.914 ( -0.773 -2.274 -2.502) 3.468 5.914 ( 0.773 -2.274 -2.502) 3.468 6.045 ( -6.716 0.421 -6.840) 9.595 6.045 ( 6.716 0.421 -6.840) 9.595 6.265 ( -3.339 0.066 1.674) 3.736 6.265 ( 3.339 0.066 1.674) 3.736 6.304 ( -4.325 0.019 -1.370) 4.537 6.304 ( 4.325 0.019 -1.370) 4.537 6.401 ( -4.775 -5.781 4.229) 8.608 6.401 ( 4.775 -5.781 4.229) 8.608 6.574 ( -0.268 -2.807 -2.273) 3.622 6.574 ( 0.268 -2.807 -2.273) 3.622 6.636 ( -2.603 -1.427 2.515) 3.891 6.636 ( 2.603 -1.427 2.515) 3.891 6.686 ( -3.538 -0.343 2.448) 4.316 6.686 ( 3.538 -0.343 2.448) 4.316 6.733 ( -2.350 2.002 -0.037) 3.087 6.733 ( 2.350 2.002 -0.037) 3.087 6.802 ( -1.848 0.523 0.688) 2.040 6.802 ( 1.848 0.523 0.688) 2.040 6.931 ( -1.560 0.537 -1.579) 2.284 6.931 ( 1.560 0.537 -1.579) 2.284 7.004 ( -1.045 -1.251 -2.716) 3.167 7.004 ( 1.045 -1.251 -2.716) 3.167 7.099 ( -3.167 -0.506 -0.209) 3.214 7.099 ( 3.167 -0.506 -0.209) 3.214 7.151 ( -0.888 -1.082 -3.428) 3.703 7.151 ( 0.888 -1.082 -3.428) 3.703 7.408 ( -2.546 4.004 6.845) 8.329 7.408 ( 2.546 4.004 6.845) 8.329 7.526 ( -1.006 1.723 2.800) 3.438 7.526 ( 1.006 1.723 2.800) 3.438 7.622 ( -1.655 -2.687 -1.764) 3.615 7.622 ( 1.655 -2.687 -1.764) 3.615 7.792 ( -1.649 -3.170 -5.909) 6.906 7.792 ( 1.649 -3.170 -5.909) 6.906 7.886 ( -2.190 8.426 1.178) 8.785 7.886 ( 2.190 8.426 1.178) 8.785 8.027 ( -0.715 4.939 -4.277) 6.572 8.027 ( 0.715 4.939 -4.277) 6.572 8.152 ( -0.458 -0.443 3.484) 3.542 8.152 ( 0.458 -0.443 3.484) 3.542 8.224 ( -4.814 0.447 0.915) 4.921 8.224 ( 4.814 0.447 0.915) 4.921 8.283 ( -1.385 1.508 4.982) 5.386 8.283 ( 1.385 1.508 4.982) 5.386 8.483 ( -1.666 5.543 -2.486) 6.300 8.483 ( 1.666 5.543 -2.486) 6.300 8.662 ( -8.869 -4.433 9.242) 13.555 8.662 ( 8.869 -4.433 9.242) 13.555 9.072 ( -12.577 -6.767 -9.420) 17.108 9.072 ( 12.577 -6.767 -9.420) 17.108 15.048 ( -0.494 -0.086 0.087) 0.509 15.048 ( 0.494 -0.086 0.087) 0.509 15.055 ( -0.224 -0.037 0.112) 0.254 15.055 ( 0.224 -0.037 0.112) 0.254 15.074 ( -0.608 0.201 0.462) 0.790 15.074 ( 0.608 0.201 0.462) 0.790 15.131 ( -0.998 -0.906 -1.961) 2.380 15.131 ( 0.998 -0.906 -1.961) 2.380 15.274 ( -0.310 0.223 0.852) 0.934 15.274 ( 0.310 0.223 0.852) 0.934 15.296 ( -0.860 0.250 -0.329) 0.954 15.296 ( 0.860 0.250 -0.329) 0.954 15.317 ( -0.743 -0.554 0.429) 1.021 15.317 ( 0.743 -0.554 0.429) 1.021 15.351 ( -1.952 -1.189 -1.471) 2.718 15.351 ( 1.952 -1.189 -1.471) 2.718 18.794 ( -1.216 -0.107 0.538) 1.334 18.794 ( 1.216 -0.107 0.538) 1.334 18.806 ( -0.513 -0.059 -0.155) 0.539 18.806 ( 0.513 -0.059 -0.155) 0.539 18.887 ( -0.991 0.117 0.279) 1.036 18.887 ( 0.991 0.117 0.279) 1.036 18.915 ( -1.425 -0.473 -1.203) 1.924 18.915 ( 1.425 -0.473 -1.203) 1.924 19.134 ( -0.206 0.108 1.070) 1.095 19.134 ( 0.206 0.108 1.070) 1.095 19.181 ( -0.533 -0.807 -0.862) 1.296 19.181 ( 0.533 -0.807 -0.862) 1.296 19.216 ( -1.030 -1.724 0.325) 2.034 19.216 ( 1.030 -1.724 0.325) 2.034 19.252 ( -0.882 -2.271 -1.033) 2.646 19.252 ( 0.882 -2.271 -1.033) 2.646 19.397 ( -0.463 1.887 1.458) 2.429 19.397 ( 0.463 1.887 1.458) 2.429 19.412 ( -0.085 1.925 0.829) 2.098 19.412 ( 0.085 1.925 0.829) 2.098 19.539 ( -1.792 0.034 0.405) 1.837 19.539 ( 1.792 0.034 0.405) 1.837 19.548 ( -1.088 0.311 -0.002) 1.132 19.548 ( 1.088 0.311 -0.002) 1.132 25.493 ( -0.064 -0.206 -0.016) 0.217 25.493 ( 0.064 -0.206 -0.016) 0.217 25.499 ( -0.184 -0.149 -0.264) 0.354 25.499 ( 0.184 -0.149 -0.264) 0.354 25.508 ( -0.216 0.030 0.131) 0.254 25.508 ( 0.216 0.030 0.131) 0.254 25.517 ( -0.630 -0.342 -0.248) 0.759 25.517 ( 0.630 -0.342 -0.248) 0.759 27.018 ( -1.156 4.858 4.069) 6.441 27.018 ( 1.156 4.858 4.069) 6.441 27.106 ( -1.577 2.778 1.124) 3.386 27.106 ( 1.577 2.778 1.124) 3.386 27.195 ( -5.582 4.136 3.535) 7.795 27.195 ( 5.582 4.136 3.535) 7.795 27.264 ( -5.849 5.510 3.661) 8.830 27.264 ( 5.849 5.510 3.661) 8.830 27.376 ( -6.667 2.161 0.580) 7.032 27.376 ( 6.667 2.161 0.580) 7.032 27.459 ( -2.188 0.689 -1.926) 2.995 27.459 ( 2.188 0.689 -1.926) 2.995 27.657 ( -1.311 -0.621 -0.621) 1.577 27.657 ( 1.311 -0.621 -0.621) 1.577 27.782 ( -5.048 0.618 -4.432) 6.746 27.782 ( 5.048 0.618 -4.432) 6.746 28.593 ( -4.529 -1.911 2.360) 5.453 28.593 ( 4.529 -1.911 2.360) 5.453 28.665 ( -4.212 -0.243 -0.665) 4.271 28.665 ( 4.212 -0.243 -0.665) 4.271 29.140 ( -4.595 -6.536 -0.546) 8.008 29.140 ( 4.595 -6.536 -0.546) 8.008 29.225 ( -2.750 -8.149 -6.016) 10.496 29.225 ( 2.750 -8.149 -6.016) 10.496 ======================= Grid point 84 (33/48) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 8.328 18.317) 20.121 1.422 ( 0.000 0.883 15.439) 15.465 1.673 ( 0.000 15.512 9.831) 18.365 1.816 ( 0.000 10.511 8.009) 13.214 1.937 ( 0.000 -6.277 3.778) 7.326 1.993 ( 0.000 -3.923 -10.128) 10.861 1.999 ( 0.000 6.006 -4.580) 7.553 2.061 ( 0.000 -11.958 1.474) 12.048 2.094 ( 0.000 2.361 1.367) 2.729 2.301 ( 0.000 3.644 -7.091) 7.972 2.328 ( 0.000 -10.100 2.826) 10.488 2.411 ( 0.000 -9.773 -0.994) 9.823 2.568 ( 0.000 8.560 11.966) 14.713 2.739 ( 0.000 -6.729 2.872) 7.316 2.774 ( 0.000 12.787 2.517) 13.033 2.886 ( 0.000 1.852 2.079) 2.784 2.953 ( 0.000 3.880 -2.795) 4.781 3.005 ( 0.000 -5.049 -6.858) 8.516 3.014 ( 0.000 3.018 3.655) 4.740 3.059 ( 0.000 -0.436 -9.717) 9.727 3.126 ( 0.000 15.693 -8.519) 17.856 3.158 ( 0.000 7.514 -3.472) 8.277 3.294 ( 0.000 -8.578 2.433) 8.917 3.368 ( 0.000 -2.642 -8.233) 8.646 3.405 ( 0.000 0.523 -3.042) 3.087 3.500 ( 0.000 -7.565 0.990) 7.629 3.504 ( 0.000 6.295 4.574) 7.782 3.644 ( 0.000 -4.842 2.264) 5.345 3.764 ( 0.000 1.380 -0.342) 1.422 3.807 ( 0.000 -1.986 -0.416) 2.029 3.923 ( 0.000 7.358 -2.074) 7.645 3.923 ( 0.000 0.276 -1.550) 1.574 4.008 ( 0.000 8.582 2.597) 8.966 4.019 ( 0.000 1.346 5.048) 5.225 4.095 ( 0.000 -0.245 4.210) 4.217 4.171 ( 0.000 3.607 3.472) 5.006 4.244 ( 0.000 -6.039 0.593) 6.068 4.253 ( 0.000 4.999 -2.978) 5.819 4.273 ( 0.000 -3.123 6.539) 7.247 4.331 ( 0.000 -6.226 8.638) 10.648 4.372 ( 0.000 1.574 -6.724) 6.906 4.431 ( 0.000 -3.233 -7.554) 8.217 4.496 ( 0.000 0.392 7.018) 7.029 4.557 ( 0.000 -4.609 9.929) 10.947 4.641 ( 0.000 5.249 -12.838) 13.869 4.667 ( 0.000 0.771 0.837) 1.138 4.695 ( 0.000 1.818 10.558) 10.714 4.853 ( 0.000 -9.324 6.010) 11.093 4.939 ( 0.000 2.755 2.786) 3.918 4.952 ( 0.000 1.702 3.959) 4.310 5.119 ( 0.000 3.575 2.599) 4.420 5.166 ( 0.000 -1.669 1.840) 2.484 5.195 ( 0.000 -1.461 -4.147) 4.397 5.219 ( 0.000 -7.109 -1.925) 7.365 5.292 ( 0.000 8.153 0.314) 8.159 5.368 ( 0.000 0.722 -3.916) 3.982 5.385 ( 0.000 0.740 -4.645) 4.704 5.463 ( 0.000 -1.707 -1.112) 2.037 5.493 ( 0.000 0.720 4.927) 4.979 5.519 ( 0.000 -1.612 -1.762) 2.388 5.525 ( 0.000 -1.901 -3.571) 4.046 5.547 ( 0.000 -6.735 -2.060) 7.043 5.647 ( 0.000 3.961 -5.280) 6.601 5.693 ( 0.000 -1.790 -3.660) 4.074 5.789 ( 0.000 5.445 -8.699) 10.263 5.824 ( 0.000 -0.120 -7.071) 7.072 5.856 ( 0.000 -2.803 -7.647) 8.144 5.888 ( 0.000 -2.470 -1.884) 3.107 6.055 ( 0.000 -2.833 1.617) 3.262 6.089 ( 0.000 -5.023 2.295) 5.523 6.237 ( 0.000 4.717 -7.351) 8.734 6.268 ( 0.000 5.221 5.742) 7.761 6.312 ( 0.000 1.329 -3.873) 4.094 6.341 ( 0.000 -2.019 2.419) 3.151 6.401 ( 0.000 -3.714 0.310) 3.727 6.453 ( 0.000 -2.849 5.267) 5.988 6.484 ( 0.000 -2.562 -2.893) 3.864 6.518 ( 0.000 -3.772 -7.208) 8.135 6.636 ( 0.000 1.685 9.302) 9.454 6.652 ( 0.000 0.372 10.144) 10.151 6.670 ( 0.000 0.759 -6.100) 6.147 6.709 ( 0.000 -2.565 -3.512) 4.349 6.818 ( 0.000 -1.300 1.375) 1.892 6.818 ( 0.000 -0.369 1.329) 1.379 6.830 ( 0.000 2.193 0.623) 2.280 6.858 ( 0.000 0.101 -0.391) 0.403 6.918 ( 0.000 3.981 -0.554) 4.020 6.963 ( 0.000 -0.056 -1.238) 1.239 6.985 ( 0.000 1.834 2.201) 2.865 7.062 ( 0.000 -4.696 0.751) 4.756 7.107 ( 0.000 1.368 -0.751) 1.561 7.119 ( 0.000 0.614 0.059) 0.617 7.124 ( 0.000 -0.337 -0.722) 0.797 7.146 ( 0.000 -2.867 0.644) 2.938 7.164 ( 0.000 -0.327 -3.338) 3.354 7.186 ( 0.000 -2.679 -1.215) 2.942 7.326 ( 0.000 1.637 -0.142) 1.643 7.344 ( 0.000 2.068 -0.721) 2.190 7.367 ( 0.000 -1.964 -0.094) 1.967 7.386 ( 0.000 -1.673 -1.272) 2.101 7.556 ( 0.000 4.011 1.488) 4.278 7.584 ( 0.000 3.119 -2.651) 4.094 7.607 ( 0.000 -0.103 -0.367) 0.381 7.627 ( 0.000 -0.727 -2.332) 2.443 7.707 ( 0.000 1.614 5.764) 5.986 7.743 ( 0.000 -0.566 5.985) 6.012 7.894 ( 0.000 2.707 3.534) 4.451 7.943 ( 0.000 -0.326 4.911) 4.922 8.075 ( 0.000 3.538 0.995) 3.675 8.075 ( 0.000 4.561 -4.903) 6.697 8.097 ( 0.000 1.560 0.641) 1.686 8.118 ( 0.000 -1.164 -0.416) 1.236 8.183 ( 0.000 -3.618 -0.723) 3.689 8.194 ( 0.000 -2.360 3.825) 4.495 8.310 ( 0.000 4.163 -2.588) 4.902 8.360 ( 0.000 -0.991 -3.660) 3.791 8.630 ( 0.000 8.511 6.401) 10.649 8.838 ( 0.000 -11.093 11.585) 16.039 8.921 ( 0.000 12.723 -10.031) 16.201 9.219 ( 0.000 -16.064 -8.867) 18.348 15.033 ( 0.000 0.685 0.267) 0.735 15.045 ( 0.000 -0.422 0.201) 0.467 15.055 ( 0.000 0.008 0.485) 0.486 15.059 ( 0.000 -0.380 0.556) 0.673 15.085 ( 0.000 1.069 -0.922) 1.412 15.106 ( 0.000 1.178 -1.378) 1.813 15.109 ( 0.000 -1.028 -0.477) 1.134 15.138 ( 0.000 -1.800 -1.232) 2.182 15.290 ( 0.000 0.986 0.901) 1.335 15.302 ( 0.000 0.797 0.431) 0.906 15.305 ( 0.000 1.150 0.837) 1.422 15.308 ( 0.000 -0.858 1.106) 1.399 15.319 ( 0.000 -0.831 0.580) 1.013 15.337 ( 0.000 -1.713 0.695) 1.848 15.361 ( 0.000 1.371 -1.511) 2.040 15.398 ( 0.000 -2.117 -2.143) 3.012 18.734 ( 0.000 0.232 1.087) 1.112 18.741 ( 0.000 -0.476 0.967) 1.078 18.794 ( 0.000 0.132 -1.700) 1.705 18.797 ( 0.000 0.065 -2.166) 2.167 18.860 ( 0.000 0.917 0.407) 1.003 18.879 ( 0.000 1.454 -0.592) 1.569 18.885 ( 0.000 -1.344 0.509) 1.437 18.914 ( 0.000 -1.849 -1.045) 2.124 19.108 ( 0.000 -0.002 1.392) 1.392 19.121 ( 0.000 -1.379 1.200) 1.828 19.142 ( 0.000 0.373 0.074) 0.380 19.160 ( 0.000 -1.448 -0.560) 1.553 19.226 ( 0.000 1.303 -0.639) 1.451 19.230 ( 0.000 -0.072 -0.881) 0.884 19.236 ( 0.000 -0.895 0.027) 0.895 19.258 ( 0.000 -1.701 -0.882) 1.916 19.379 ( 0.000 0.339 1.280) 1.324 19.382 ( 0.000 0.152 1.345) 1.353 19.389 ( 0.000 0.442 0.635) 0.774 19.392 ( 0.000 0.042 0.946) 0.947 19.541 ( 0.000 1.905 0.574) 1.989 19.568 ( 0.000 1.812 -0.804) 1.982 19.568 ( 0.000 -0.757 0.668) 1.010 19.597 ( 0.000 -0.989 -0.753) 1.243 25.478 ( 0.000 -0.007 -0.453) 0.453 25.479 ( 0.000 -0.208 -0.552) 0.590 25.480 ( 0.000 -0.136 -0.466) 0.485 25.480 ( 0.000 -0.158 -0.519) 0.542 25.513 ( 0.000 0.161 0.087) 0.183 25.516 ( 0.000 0.395 0.013) 0.395 25.516 ( 0.000 -0.116 0.409) 0.425 25.527 ( 0.000 -0.587 0.017) 0.587 26.951 ( 0.000 5.577 4.707) 7.298 27.061 ( 0.000 -4.664 7.082) 8.480 27.103 ( 0.000 8.174 2.917) 8.678 27.121 ( 0.000 5.259 0.652) 5.299 27.134 ( 0.000 0.208 8.925) 8.928 27.314 ( 0.000 -8.506 -5.852) 10.325 27.337 ( 0.000 10.074 -3.760) 10.753 27.441 ( 0.000 1.110 -6.032) 6.134 27.599 ( 0.000 8.131 2.483) 8.502 27.660 ( 0.000 2.541 7.406) 7.829 27.661 ( 0.000 8.752 -1.490) 8.878 27.745 ( 0.000 -0.005 8.565) 8.565 27.783 ( 0.000 -10.123 1.877) 10.295 27.942 ( 0.000 -11.972 -3.342) 12.430 28.023 ( 0.000 8.024 9.952) 12.784 28.095 ( 0.000 4.802 -10.053) 11.141 28.262 ( 0.000 -4.501 -10.093) 11.051 28.265 ( 0.000 -8.073 12.919) 15.234 28.496 ( 0.000 11.421 -9.463) 14.832 28.631 ( 0.000 -0.850 -0.130) 0.860 28.866 ( 0.000 -8.061 3.778) 8.902 28.886 ( 0.000 -10.094 -5.220) 11.364 29.003 ( 0.000 0.300 -6.652) 6.659 29.044 ( 0.000 -4.239 -6.279) 7.576 ======================= Grid point 85 (34/48) ======================= q-point: ( 0.17 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 16.295 10.298 11.132) 22.260 1.615 ( 13.845 3.136 10.244) 17.506 1.741 ( 8.942 12.051 11.494) 18.902 1.795 ( 0.165 9.246 7.022) 11.611 1.946 ( 1.296 -2.743 5.742) 6.495 2.036 ( 3.631 0.099 -1.079) 3.789 2.074 ( 5.844 -10.397 0.508) 11.937 2.137 ( 6.656 -6.288 -2.517) 9.496 2.155 ( 7.338 3.156 1.550) 8.137 2.319 ( 1.148 3.177 -2.295) 4.084 2.330 ( 0.468 -4.732 0.123) 4.757 2.426 ( 1.228 -8.388 -3.705) 9.251 2.575 ( 0.854 5.227 5.635) 7.733 2.678 ( -4.215 4.223 0.037) 5.966 2.739 ( -6.101 -1.992 2.374) 6.843 2.820 ( -4.952 6.121 5.197) 9.434 2.873 ( -6.423 1.420 -0.965) 6.649 2.932 ( 0.538 2.258 0.015) 2.322 3.063 ( 1.566 5.188 -0.066) 5.419 3.086 ( 1.324 0.869 -7.366) 7.534 3.153 ( -0.786 5.089 -2.035) 5.537 3.170 ( 0.464 0.003 -8.173) 8.186 3.263 ( -3.001 -2.681 -4.565) 6.086 3.311 ( -1.667 -0.464 -7.615) 7.809 3.446 ( 3.256 -1.890 2.933) 4.772 3.490 ( -1.061 -4.779 -0.100) 4.897 3.583 ( 4.318 6.056 0.822) 7.483 3.664 ( -0.995 -0.633 -0.797) 1.423 3.756 ( -2.920 -0.499 -1.226) 3.206 3.786 ( 2.558 -2.319 4.413) 5.603 3.847 ( -3.854 4.409 -3.091) 6.621 3.951 ( 1.560 0.476 -2.231) 2.764 4.025 ( 1.661 6.116 7.081) 9.503 4.053 ( 0.424 -0.251 4.170) 4.199 4.121 ( 3.206 3.990 3.693) 6.312 4.175 ( -1.957 -1.676 1.706) 3.090 4.193 ( 1.234 4.770 -0.488) 4.951 4.230 ( -1.742 1.301 5.690) 6.091 4.312 ( 2.884 -2.017 3.215) 4.767 4.358 ( 0.331 -0.580 0.376) 0.766 4.429 ( -0.308 -3.608 -0.433) 3.647 4.437 ( 4.530 -6.345 4.864) 9.188 4.543 ( 0.950 -0.650 4.188) 4.343 4.574 ( 6.701 -1.029 -0.255) 6.785 4.660 ( -0.126 6.335 0.207) 6.340 4.719 ( 4.009 1.968 -3.976) 5.979 4.727 ( 3.090 -2.204 4.009) 5.521 4.863 ( -1.186 -0.390 -1.389) 1.868 4.882 ( 0.879 -4.652 8.277) 9.536 4.952 ( -0.430 -0.779 2.467) 2.623 5.067 ( -6.924 2.377 4.640) 8.667 5.117 ( -6.075 -1.306 -3.554) 7.159 5.184 ( 1.849 -0.079 -2.331) 2.977 5.242 ( 0.392 -1.381 -1.690) 2.218 5.282 ( -0.332 -1.158 -6.577) 6.687 5.327 ( -0.510 6.213 -0.104) 6.235 5.389 ( -1.740 -3.801 -3.769) 5.628 5.437 ( -0.670 -3.106 -0.659) 3.245 5.469 ( -2.409 -0.237 -1.095) 2.657 5.503 ( -2.542 -3.167 -3.037) 5.071 5.561 ( 0.771 0.424 0.008) 0.879 5.601 ( 3.664 -1.287 2.158) 4.443 5.623 ( 0.453 2.726 -3.295) 4.300 5.680 ( -2.241 -1.442 -6.244) 6.789 5.737 ( -3.072 1.146 -5.976) 6.816 5.796 ( -3.666 -3.479 -5.102) 7.182 5.852 ( -0.354 3.455 -1.068) 3.634 5.886 ( -0.091 -1.773 -5.475) 5.756 6.026 ( -2.566 -1.254 0.407) 2.885 6.072 ( -4.281 -4.441 1.143) 6.273 6.159 ( -4.383 4.423 -3.168) 6.987 6.227 ( -5.458 -0.902 -6.266) 8.359 6.278 ( -1.527 2.385 1.903) 3.411 6.340 ( -2.695 -1.485 1.748) 3.539 6.396 ( -0.447 0.826 -1.554) 1.815 6.446 ( -1.214 -2.707 4.794) 5.638 6.479 ( -0.176 -2.553 3.238) 4.128 6.489 ( -0.079 -4.762 -6.158) 7.785 6.580 ( -7.264 1.616 3.129) 8.072 6.613 ( -5.614 -1.789 1.461) 6.071 6.643 ( -3.606 2.508 4.919) 6.595 6.702 ( -4.582 -1.817 4.627) 6.761 6.717 ( -3.806 0.492 -1.826) 4.250 6.755 ( -6.612 -2.766 -1.136) 7.257 6.809 ( -2.289 2.529 -0.860) 3.518 6.847 ( -3.908 0.797 -0.798) 4.068 6.866 ( -3.375 2.267 -0.165) 4.069 6.892 ( -1.272 1.173 0.929) 1.964 6.920 ( -3.409 -1.077 0.118) 3.577 6.956 ( -1.827 -1.758 -1.184) 2.798 6.977 ( -3.598 1.650 -1.718) 4.315 7.046 ( -3.475 -2.200 -0.465) 4.139 7.095 ( -2.894 -0.234 0.348) 2.924 7.128 ( -1.443 -3.668 0.845) 4.031 7.199 ( -2.011 0.879 -2.468) 3.303 7.216 ( -3.016 -0.604 -2.217) 3.792 7.401 ( 4.826 0.646 0.578) 4.903 7.403 ( 5.284 0.310 0.949) 5.378 7.453 ( 5.271 2.214 -1.685) 5.960 7.479 ( 4.884 -0.242 -3.396) 5.953 7.608 ( 2.773 1.363 0.845) 3.203 7.626 ( 2.519 0.635 1.370) 2.937 7.668 ( 4.305 0.573 -1.835) 4.715 7.697 ( 4.606 -1.353 -2.675) 5.496 7.773 ( 5.688 2.437 5.448) 8.245 7.799 ( 7.920 0.377 5.485) 9.641 7.917 ( 3.462 2.035 2.686) 4.832 7.953 ( 4.315 -0.588 5.754) 7.216 8.096 ( 2.119 2.426 0.825) 3.325 8.107 ( 1.714 3.916 -0.989) 4.387 8.128 ( 3.538 0.178 2.194) 4.166 8.183 ( 1.392 -2.985 -4.346) 5.453 8.218 ( 6.089 3.255 3.431) 7.710 8.286 ( 4.008 -0.561 1.290) 4.248 8.372 ( 7.484 2.303 -1.947) 8.069 8.416 ( 6.985 -1.095 -4.863) 8.581 8.594 ( -2.982 6.678 5.809) 9.340 8.774 ( -6.078 -8.697 9.779) 14.429 8.886 ( -3.359 10.220 -8.610) 13.779 9.162 ( -5.316 -15.093 -9.332) 18.524 15.035 ( 0.218 0.592 0.234) 0.673 15.045 ( 0.055 -0.360 0.227) 0.429 15.055 ( -0.019 0.036 0.501) 0.502 15.059 ( -0.098 -0.321 0.579) 0.669 15.086 ( 0.129 0.782 -0.967) 1.250 15.095 ( -0.669 0.523 -0.741) 1.127 15.112 ( -0.055 -0.299 -1.148) 1.188 15.132 ( -0.572 -1.730 -1.197) 2.180 15.287 ( -0.272 1.035 0.754) 1.309 15.295 ( -0.549 0.472 0.844) 1.112 15.300 ( -0.381 0.843 0.582) 1.093 15.305 ( -0.336 -0.490 0.957) 1.126 15.310 ( -0.584 -0.736 0.474) 1.052 15.330 ( -0.683 -1.508 0.562) 1.748 15.352 ( -0.893 1.199 -1.374) 2.031 15.385 ( -1.204 -1.985 -2.002) 3.065 18.744 ( 1.038 0.312 0.986) 1.465 18.753 ( 1.176 -0.554 0.931) 1.599 18.796 ( 0.402 0.579 -1.565) 1.717 18.809 ( 0.781 -0.585 -1.933) 2.165 18.864 ( 0.360 0.728 0.418) 0.913 18.876 ( -0.008 0.481 0.164) 0.508 18.891 ( 0.388 -0.256 -0.229) 0.518 18.916 ( 0.129 -1.657 -1.107) 1.997 19.112 ( 0.414 0.021 1.290) 1.355 19.125 ( 0.413 -1.332 1.106) 1.780 19.143 ( 0.085 0.442 0.174) 0.483 19.161 ( 0.123 -1.357 -0.499) 1.451 19.218 ( -0.695 0.829 -0.519) 1.199 19.224 ( -0.612 -0.340 -0.912) 1.150 19.231 ( -0.631 -0.441 -0.255) 0.811 19.251 ( -0.705 -1.614 -1.021) 2.036 19.385 ( 0.663 0.632 1.427) 1.696 19.392 ( 1.226 0.083 1.357) 1.830 19.400 ( 1.068 0.808 0.812) 1.566 19.410 ( 1.330 -0.183 0.631) 1.483 19.540 ( -0.157 1.828 0.565) 1.919 19.559 ( -0.515 0.935 -0.041) 1.068 19.573 ( -0.027 -0.162 -0.001) 0.164 19.591 ( -0.696 -0.890 -0.554) 1.258 25.481 ( 0.227 -0.093 -0.392) 0.462 25.481 ( 0.235 -0.046 -0.412) 0.477 25.482 ( 0.275 -0.219 -0.463) 0.581 25.483 ( 0.359 -0.209 -0.480) 0.635 25.511 ( -0.133 0.176 0.082) 0.235 25.514 ( -0.145 0.193 0.110) 0.265 25.515 ( -0.087 0.048 0.228) 0.249 25.525 ( -0.219 -0.544 0.002) 0.587 26.977 ( 2.672 4.615 4.651) 7.076 27.048 ( -0.230 0.554 4.599) 4.638 27.114 ( 1.206 4.105 6.637) 7.897 27.124 ( 0.695 3.783 6.330) 7.408 27.183 ( 3.549 1.185 1.706) 4.113 27.306 ( -0.456 -4.175 -4.918) 6.467 27.353 ( 0.661 4.772 -3.484) 5.945 27.434 ( -0.921 2.296 -3.504) 4.289 27.508 ( -6.154 6.972 3.385) 9.896 27.617 ( -3.543 4.454 -1.338) 5.846 27.640 ( -3.500 0.260 6.105) 7.042 27.668 ( -5.778 -1.573 3.250) 6.814 27.758 ( -5.455 1.615 1.083) 5.791 27.803 ( -6.753 -2.276 4.145) 8.244 27.965 ( -7.638 0.579 -7.331) 10.603 28.065 ( -8.656 -7.191 -3.690) 11.843 28.268 ( 10.442 5.205 3.880) 12.295 28.403 ( 6.780 -3.687 0.871) 7.766 28.560 ( 5.267 4.893 -6.706) 9.831 28.648 ( 1.392 -0.772 -0.412) 1.644 28.874 ( 1.440 -5.847 3.072) 6.759 28.910 ( 2.601 -9.671 -3.565) 10.631 29.033 ( 2.103 -1.343 -5.817) 6.329 29.076 ( 2.107 -5.200 -6.085) 8.277 ======================= Grid point 86 (35/48) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 6.860 9.477 9.577) 15.119 1.783 ( 4.739 7.128 10.194) 13.311 1.865 ( 8.742 5.463 7.100) 12.517 1.978 ( 5.551 -9.179 7.178) 12.907 2.003 ( 6.628 16.055 5.283) 18.155 2.078 ( 1.208 0.598 3.815) 4.047 2.189 ( 0.912 -5.890 0.638) 5.994 2.307 ( 10.937 -7.618 1.433) 13.406 2.333 ( 2.271 3.485 2.902) 5.072 2.341 ( 3.403 0.390 -1.761) 3.851 2.385 ( 4.389 -2.471 -4.684) 6.878 2.431 ( 3.950 -3.509 -0.036) 5.283 2.537 ( -3.347 2.876 1.053) 4.536 2.620 ( -3.210 -4.841 1.882) 6.106 2.666 ( 2.317 3.883 -2.888) 5.365 2.736 ( -2.036 -0.278 -3.208) 3.810 2.843 ( 2.692 10.881 7.470) 13.470 2.966 ( 3.543 -0.167 3.663) 5.099 3.047 ( -2.964 8.163 -1.719) 8.853 3.062 ( -2.306 5.685 -4.296) 7.490 3.161 ( -5.459 -0.355 -2.708) 6.104 3.179 ( 3.718 -3.152 -2.161) 5.331 3.220 ( 3.803 -2.216 -7.427) 8.634 3.310 ( 0.430 -5.888 -6.897) 9.079 3.409 ( -6.538 0.130 3.839) 7.582 3.468 ( -4.614 -2.895 -1.190) 5.575 3.572 ( -3.423 -1.691 -0.272) 3.828 3.617 ( -7.167 -3.459 -2.202) 8.257 3.730 ( 3.967 10.395 2.861) 11.488 3.825 ( 3.097 2.166 -1.231) 3.974 3.848 ( 0.672 0.101 -0.734) 1.000 3.936 ( -2.090 -3.459 -1.803) 4.425 4.077 ( 3.630 5.585 4.781) 8.199 4.110 ( 4.943 2.256 4.588) 7.111 4.161 ( -0.393 3.479 -2.097) 4.081 4.189 ( 3.297 0.605 4.722) 5.791 4.219 ( 0.172 1.355 7.412) 7.537 4.234 ( 3.642 -0.041 0.639) 3.698 4.317 ( -3.541 -1.061 7.196) 8.090 4.336 ( -1.873 -2.292 1.239) 3.209 4.438 ( 3.599 -0.589 2.800) 4.598 4.524 ( 2.097 -3.400 2.440) 4.681 4.556 ( -0.029 5.550 2.602) 6.130 4.649 ( -1.099 3.918 -0.459) 4.095 4.711 ( 1.649 1.170 5.568) 5.923 4.745 ( 4.991 -1.815 -6.068) 8.064 4.782 ( 1.776 -2.436 -0.247) 3.025 4.878 ( -3.736 -4.823 6.885) 9.199 4.887 ( 0.471 -3.708 3.107) 4.860 4.951 ( -0.901 0.711 -3.230) 3.428 4.992 ( 1.215 -0.523 1.665) 2.126 5.041 ( 3.201 -3.051 -2.714) 5.188 5.207 ( 0.465 1.725 -5.298) 5.591 5.234 ( 0.801 3.360 -3.305) 4.780 5.293 ( -1.477 -4.571 0.080) 4.805 5.308 ( 1.158 -1.277 -2.774) 3.266 5.357 ( -1.483 0.649 -2.282) 2.798 5.425 ( -2.681 3.400 -8.069) 9.157 5.441 ( -1.857 -2.495 2.492) 3.986 5.458 ( -3.096 -0.909 0.068) 3.228 5.495 ( -3.508 -1.981 1.150) 4.189 5.535 ( -4.822 -1.728 -5.259) 7.342 5.664 ( 0.673 0.050 -2.980) 3.056 5.679 ( -1.652 2.678 0.109) 3.148 5.720 ( 0.315 -4.014 -7.031) 8.103 5.755 ( 0.644 -1.567 0.407) 1.743 5.844 ( -0.479 1.580 0.072) 1.652 5.877 ( 1.703 0.091 -0.162) 1.714 5.950 ( -4.678 -0.731 -1.535) 4.978 5.965 ( -5.004 -2.198 -1.406) 5.643 6.049 ( -6.910 4.570 -4.843) 9.596 6.133 ( -5.270 -2.628 -7.470) 9.512 6.239 ( -1.200 0.035 2.541) 2.810 6.297 ( -1.574 -4.582 2.033) 5.254 6.330 ( -8.470 1.374 -0.732) 8.612 6.352 ( -6.410 -0.169 -1.898) 6.688 6.415 ( -2.515 1.399 2.238) 3.646 6.444 ( -5.326 1.041 0.821) 5.488 6.491 ( -2.280 -4.231 2.529) 5.431 6.501 ( -1.746 -4.528 -3.576) 6.028 6.603 ( 0.037 0.954 3.774) 3.892 6.623 ( 0.127 -1.039 3.899) 4.037 6.668 ( -1.224 1.325 3.485) 3.925 6.724 ( -0.785 -2.873 3.624) 4.691 6.758 ( -1.780 1.267 -1.186) 2.486 6.777 ( -1.098 -0.213 -1.095) 1.565 6.820 ( -3.411 1.018 1.595) 3.901 6.843 ( -2.985 -0.325 0.750) 3.095 6.915 ( 2.592 2.454 -2.537) 4.379 6.969 ( 1.823 1.317 -3.612) 4.255 6.979 ( 1.731 0.031 -1.927) 2.590 7.028 ( 1.372 0.127 1.166) 1.805 7.062 ( -1.547 -0.685 -4.083) 4.419 7.095 ( -1.322 -3.186 -0.652) 3.510 7.130 ( -4.260 0.037 -3.172) 5.312 7.155 ( -2.791 -1.465 -3.128) 4.441 7.446 ( 1.184 1.999 1.241) 2.634 7.486 ( 2.809 -1.640 1.934) 3.784 7.518 ( 0.637 3.479 1.340) 3.782 7.558 ( 4.024 1.322 -3.635) 5.581 7.597 ( -2.106 1.266 3.861) 4.577 7.654 ( -0.267 -0.798 0.254) 0.879 7.694 ( 0.891 -0.009 -1.787) 1.997 7.744 ( 0.262 -2.877 -2.824) 4.040 7.932 ( 8.162 4.527 2.986) 9.799 7.980 ( 7.646 0.153 3.168) 8.278 8.016 ( 6.154 4.611 2.324) 8.033 8.083 ( 5.899 -0.440 3.016) 6.640 8.131 ( 0.395 4.132 0.468) 4.177 8.155 ( 3.315 2.095 0.228) 3.929 8.203 ( 1.085 -2.346 -2.225) 3.411 8.211 ( 3.835 -2.762 3.542) 5.906 8.279 ( 1.631 5.451 5.842) 8.155 8.340 ( 1.004 -0.243 6.587) 6.667 8.461 ( -1.157 3.394 7.752) 8.541 8.547 ( 4.346 2.534 -2.292) 5.528 8.629 ( -1.988 -6.237 4.757) 8.092 8.668 ( 6.239 -0.895 -7.464) 9.769 8.815 ( -2.767 5.828 -7.759) 10.091 9.039 ( -6.976 -12.882 -10.422) 17.978 15.041 ( 0.356 0.321 0.232) 0.532 15.047 ( 0.165 -0.255 0.360) 0.471 15.053 ( -0.172 0.038 0.511) 0.540 15.056 ( -0.208 -0.212 0.560) 0.634 15.085 ( -0.310 0.775 -0.600) 1.028 15.089 ( 0.031 0.485 -0.916) 1.037 15.107 ( -0.342 -0.558 -1.481) 1.619 15.119 ( -0.733 -1.547 -1.220) 2.103 15.282 ( -0.134 0.892 0.668) 1.122 15.287 ( -0.304 0.405 0.899) 1.032 15.295 ( 0.021 0.313 0.382) 0.494 15.299 ( -0.225 -0.376 0.629) 0.767 15.306 ( 0.122 -0.773 0.046) 0.784 15.315 ( -0.611 -0.921 0.176) 1.119 15.330 ( -1.220 0.795 -0.950) 1.739 15.356 ( -1.717 -1.629 -1.535) 2.821 18.770 ( 1.483 0.370 0.763) 1.708 18.780 ( 1.404 -0.569 0.676) 1.659 18.804 ( 0.181 0.513 -0.808) 0.974 18.815 ( -0.277 -0.486 -0.937) 1.091 18.877 ( 0.946 0.283 0.075) 0.990 18.883 ( 0.672 0.108 -0.095) 0.687 18.896 ( 0.027 0.115 -0.485) 0.500 18.915 ( -0.321 -1.239 -1.104) 1.690 19.124 ( 0.800 0.114 1.061) 1.334 19.137 ( 0.840 -1.181 0.880) 1.696 19.145 ( 0.044 0.526 0.468) 0.705 19.164 ( 0.053 -1.228 -0.259) 1.256 19.204 ( -0.619 0.146 -0.636) 0.900 19.211 ( -0.474 -0.815 -1.014) 1.385 19.214 ( -0.953 0.018 -0.675) 1.168 19.233 ( -1.079 -1.453 -1.191) 2.166 19.407 ( 1.377 1.002 1.636) 2.361 19.419 ( 1.403 -0.153 1.526) 2.079 19.424 ( 1.168 1.157 0.884) 1.867 19.433 ( 0.783 0.256 0.922) 1.236 19.536 ( -0.076 1.396 0.374) 1.447 19.550 ( -0.380 0.651 -0.106) 0.761 19.565 ( -0.796 -0.445 -0.030) 0.913 19.571 ( -1.301 -0.509 -0.193) 1.410 25.486 ( 0.311 -0.035 -0.170) 0.356 25.488 ( 0.382 -0.133 -0.298) 0.503 25.489 ( 0.341 -0.120 -0.288) 0.462 25.492 ( 0.415 -0.315 -0.370) 0.640 25.508 ( -0.160 0.169 0.050) 0.238 25.511 ( -0.205 0.082 0.049) 0.226 25.512 ( -0.203 0.028 0.074) 0.218 25.519 ( -0.400 -0.438 -0.051) 0.595 27.048 ( 4.284 3.134 4.909) 7.230 27.077 ( 3.306 1.923 4.654) 6.024 27.135 ( 0.378 4.442 5.671) 7.213 27.150 ( 1.979 3.087 7.738) 8.563 27.246 ( 2.258 0.700 -0.423) 2.402 27.307 ( 0.490 -3.475 -2.846) 4.519 27.326 ( -2.576 4.358 1.898) 5.406 27.394 ( -3.841 -0.922 2.293) 4.568 27.428 ( -1.897 5.646 0.412) 5.970 27.515 ( -7.294 3.532 4.025) 9.049 27.561 ( 0.093 4.269 -2.772) 5.091 27.610 ( -3.383 -1.989 -0.123) 3.926 27.619 ( -6.095 4.330 1.259) 7.582 27.701 ( -2.884 0.339 -0.960) 3.058 27.811 ( -7.301 -0.637 -7.241) 10.303 27.890 ( -8.467 -4.322 -5.898) 11.187 28.462 ( 8.736 3.063 3.199) 9.795 28.540 ( 6.957 -1.293 0.478) 7.093 28.633 ( 0.985 0.876 -0.453) 1.394 28.670 ( 0.670 -1.169 -1.574) 2.072 28.928 ( 3.863 -4.116 1.064) 5.744 28.975 ( 3.725 -8.489 -3.379) 9.867 29.050 ( -0.697 -3.196 -4.307) 5.408 29.090 ( -0.968 -6.260 -5.124) 8.148 ======================= Grid point 87 (36/48) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -0.578 6.753 13.412) 15.027 1.839 ( 0.578 6.753 13.412) 15.027 1.988 ( -3.872 -5.465 7.909) 10.364 1.988 ( 3.872 -5.465 7.909) 10.364 2.089 ( -2.296 11.018 1.930) 11.419 2.089 ( 2.296 11.018 1.930) 11.419 2.241 ( -6.345 1.838 -2.884) 7.208 2.241 ( 6.345 1.838 -2.884) 7.208 2.373 ( -2.183 -1.660 2.253) 3.550 2.373 ( 2.183 -1.660 2.253) 3.550 2.432 ( -2.765 -5.113 -0.304) 5.820 2.432 ( 2.765 -5.113 -0.304) 5.820 2.654 ( -3.876 1.262 0.489) 4.105 2.654 ( 3.876 1.262 0.489) 4.105 2.681 ( -3.173 -1.097 -2.229) 4.030 2.681 ( 3.173 -1.097 -2.229) 4.030 2.953 ( -6.566 11.442 0.577) 13.205 2.953 ( 6.566 11.442 0.577) 13.205 3.051 ( -2.905 8.302 -4.025) 9.673 3.051 ( 2.905 8.302 -4.025) 9.673 3.144 ( -11.228 -6.151 3.311) 13.224 3.144 ( 11.228 -6.151 3.311) 13.224 3.284 ( -4.495 -8.323 -2.064) 9.682 3.284 ( 4.495 -8.323 -2.064) 9.682 3.382 ( -6.814 3.156 -1.192) 7.603 3.382 ( 6.814 3.156 -1.192) 7.603 3.494 ( -4.948 -6.788 -3.154) 8.972 3.494 ( 4.948 -6.788 -3.154) 8.972 3.827 ( -3.182 5.685 0.010) 6.515 3.827 ( 3.182 5.685 0.010) 6.515 3.891 ( -2.832 0.091 -1.698) 3.303 3.891 ( 2.832 0.091 -1.698) 3.303 4.140 ( -2.201 4.823 3.664) 6.445 4.140 ( 2.201 4.823 3.664) 6.445 4.184 ( -2.287 2.583 3.679) 5.044 4.184 ( 2.287 2.583 3.679) 5.044 4.265 ( -3.323 -2.547 1.950) 4.619 4.265 ( 3.323 -2.547 1.950) 4.619 4.295 ( -3.192 -5.034 2.670) 6.532 4.295 ( 3.192 -5.034 2.670) 6.532 4.488 ( -3.535 8.421 5.190) 10.505 4.488 ( 3.535 8.421 5.190) 10.505 4.608 ( -2.140 -0.132 -0.169) 2.151 4.608 ( 2.140 -0.132 -0.169) 2.151 4.749 ( -3.152 -2.455 4.462) 5.989 4.749 ( 3.152 -2.455 4.462) 5.989 4.806 ( -2.924 -4.464 -0.022) 5.336 4.806 ( 2.924 -4.464 -0.022) 5.336 4.951 ( -5.896 3.258 -4.460) 8.079 4.951 ( 5.896 3.258 -4.460) 8.079 5.044 ( -4.594 -5.344 2.128) 7.362 5.044 ( 4.594 -5.344 2.128) 7.362 5.245 ( -3.304 4.452 -3.190) 6.397 5.245 ( 3.304 4.452 -3.190) 6.397 5.308 ( -2.339 1.736 -1.468) 3.261 5.308 ( 2.339 1.736 -1.468) 3.261 5.343 ( -2.487 -3.292 -0.158) 4.129 5.343 ( 2.487 -3.292 -0.158) 4.129 5.397 ( -3.071 -5.866 0.510) 6.640 5.397 ( 3.071 -5.866 0.510) 6.640 5.502 ( -6.281 4.356 -4.197) 8.721 5.502 ( 6.281 4.356 -4.197) 8.721 5.627 ( -4.455 -5.295 -2.405) 7.326 5.627 ( 4.455 -5.295 -2.405) 7.326 5.777 ( -4.186 3.108 -0.202) 5.217 5.777 ( 4.186 3.108 -0.202) 5.217 5.850 ( -3.146 -3.379 -2.607) 5.302 5.850 ( 3.146 -3.379 -2.607) 5.302 5.919 ( -5.365 4.639 -3.281) 7.815 5.919 ( 5.365 4.639 -3.281) 7.815 6.008 ( -6.898 -3.327 -3.497) 8.419 6.008 ( 6.898 -3.327 -3.497) 8.419 6.243 ( -1.829 -0.232 2.237) 2.900 6.243 ( 1.829 -0.232 2.237) 2.900 6.285 ( -1.759 -2.568 -0.025) 3.113 6.285 ( 1.759 -2.568 -0.025) 3.113 6.382 ( -0.922 2.752 -1.277) 3.171 6.382 ( 0.922 2.752 -1.277) 3.171 6.468 ( -0.756 -5.489 -3.749) 6.690 6.468 ( 0.756 -5.489 -3.749) 6.690 6.640 ( -2.303 1.366 5.200) 5.849 6.640 ( 2.303 1.366 5.200) 5.849 6.673 ( -3.602 -1.224 5.559) 6.736 6.673 ( 3.602 -1.224 5.559) 6.736 6.764 ( -2.018 1.383 0.526) 2.502 6.764 ( 2.018 1.383 0.526) 2.502 6.793 ( -1.797 -1.163 -0.265) 2.157 6.793 ( 1.797 -1.163 -0.265) 2.157 6.977 ( -2.494 3.340 -3.945) 5.739 6.977 ( 2.494 3.340 -3.945) 5.739 7.010 ( -2.325 0.845 -3.774) 4.512 7.010 ( 2.325 0.845 -3.774) 4.512 7.073 ( -1.925 -1.344 -1.262) 2.665 7.073 ( 1.925 -1.344 -1.262) 2.665 7.102 ( -2.420 -3.000 -2.313) 4.495 7.102 ( 2.420 -3.000 -2.313) 4.495 7.482 ( -2.697 3.111 3.503) 5.406 7.482 ( 2.697 3.111 3.503) 5.406 7.540 ( -2.899 -2.046 3.794) 5.194 7.540 ( 2.899 -2.046 3.794) 5.194 7.633 ( -2.676 4.154 -2.834) 5.697 7.633 ( 2.676 4.154 -2.834) 5.697 7.722 ( -2.010 -3.846 -3.659) 5.676 7.722 ( 2.010 -3.846 -3.659) 5.676 8.043 ( -2.513 5.585 2.215) 6.513 8.043 ( 2.513 5.585 2.215) 6.513 8.103 ( -2.899 0.661 1.886) 3.521 8.103 ( 2.899 0.661 1.886) 3.521 8.161 ( -2.678 2.883 0.500) 3.967 8.161 ( 2.678 2.883 0.500) 3.967 8.227 ( -0.967 -1.429 -0.562) 1.815 8.227 ( 0.967 -1.429 -0.562) 1.815 8.336 ( -1.427 4.498 9.502) 10.610 8.336 ( 1.427 4.498 9.502) 10.610 8.472 ( -4.723 -7.126 11.611) 14.419 8.472 ( 4.723 -7.126 11.611) 14.419 8.695 ( -4.453 8.464 -9.216) 13.282 8.695 ( 4.453 8.464 -9.216) 13.282 8.893 ( -8.174 -9.746 -9.979) 16.167 8.893 ( 8.174 -9.746 -9.979) 16.167 15.048 ( -0.308 0.085 0.356) 0.478 15.048 ( 0.308 0.085 0.356) 0.478 15.051 ( -0.226 -0.224 0.557) 0.642 15.051 ( 0.226 -0.224 0.557) 0.642 15.085 ( -0.279 0.843 -0.741) 1.156 15.085 ( 0.279 0.843 -0.741) 1.156 15.107 ( -0.399 -1.230 -1.483) 1.967 15.107 ( 0.399 -1.230 -1.483) 1.967 15.283 ( -0.138 0.647 0.793) 1.033 15.283 ( 0.138 0.647 0.793) 1.033 15.298 ( -0.147 -0.508 0.437) 0.686 15.298 ( 0.147 -0.508 0.437) 0.686 15.309 ( -0.641 0.260 -0.389) 0.794 15.309 ( 0.641 0.260 -0.389) 0.794 15.325 ( -1.306 -1.105 -0.829) 1.901 15.325 ( 1.306 -1.105 -0.829) 1.901 18.796 ( -1.053 0.261 0.327) 1.133 18.796 ( 1.053 0.261 0.327) 1.133 18.803 ( -0.883 -0.281 -0.018) 0.927 18.803 ( 0.883 -0.281 -0.018) 0.927 18.891 ( -0.455 0.322 -0.299) 0.633 18.891 ( 0.455 0.322 -0.299) 0.633 18.902 ( -0.999 -0.699 -0.869) 1.497 18.902 ( 0.999 -0.699 -0.869) 1.497 19.139 ( -0.643 0.425 0.821) 1.126 19.139 ( 0.643 0.425 0.821) 1.126 19.156 ( -0.898 -1.216 0.456) 1.579 19.156 ( 0.898 -1.216 0.456) 1.579 19.200 ( -0.340 0.048 -0.964) 1.023 19.200 ( 0.340 0.048 -0.964) 1.023 19.214 ( -0.719 -1.251 -1.169) 1.857 19.214 ( 0.719 -1.251 -1.169) 1.857 19.430 ( -0.733 1.081 1.601) 2.066 19.430 ( 0.733 1.081 1.601) 2.066 19.438 ( -0.309 0.416 1.317) 1.415 19.438 ( 0.309 0.416 1.317) 1.415 19.544 ( -0.826 0.396 0.062) 0.918 19.544 ( 0.826 0.396 0.062) 0.918 19.551 ( -0.321 -0.125 -0.236) 0.418 19.551 ( 0.321 -0.125 -0.236) 0.418 25.491 ( -0.163 0.026 -0.074) 0.181 25.491 ( 0.163 0.026 -0.074) 0.181 25.494 ( -0.180 -0.235 -0.219) 0.368 25.494 ( 0.180 -0.235 -0.219) 0.368 25.509 ( -0.127 0.013 -0.017) 0.129 25.509 ( 0.127 0.013 -0.017) 0.129 25.510 ( -0.361 -0.202 -0.103) 0.427 25.510 ( 0.361 -0.202 -0.103) 0.427 27.117 ( -2.295 3.993 5.801) 7.407 27.117 ( 2.295 3.993 5.801) 7.407 27.156 ( -2.971 0.800 5.898) 6.653 27.156 ( 2.971 0.800 5.898) 6.653 27.269 ( -1.680 2.888 1.603) 3.706 27.269 ( 1.680 2.888 1.603) 3.706 27.335 ( -1.782 -2.247 -0.332) 2.887 27.335 ( 1.782 -2.247 -0.332) 2.887 27.428 ( -1.524 6.819 2.677) 7.482 27.428 ( 1.524 6.819 2.677) 7.482 27.536 ( -1.030 0.562 1.366) 1.801 27.536 ( 1.030 0.562 1.366) 1.801 27.646 ( -5.082 3.538 -4.824) 7.850 27.646 ( 5.082 3.538 -4.824) 7.850 27.764 ( -3.818 -3.740 -6.933) 8.753 27.764 ( 3.818 -3.740 -6.933) 8.753 28.592 ( -4.418 2.281 2.444) 5.540 28.592 ( 4.418 2.281 2.444) 5.540 28.648 ( -3.295 -1.734 -0.274) 3.734 28.648 ( 3.295 -1.734 -0.274) 3.734 29.006 ( -3.633 -4.039 -1.985) 5.784 29.006 ( 3.633 -4.039 -1.985) 5.784 29.045 ( -3.287 -7.180 -4.331) 9.007 29.045 ( 3.287 -7.180 -4.331) 9.007 ======================= Grid point 105 (37/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.000 0.000 -15.668) 15.668 1.456 ( 0.000 0.000 15.668) 15.668 1.541 ( 0.000 0.000 -22.360) 22.360 1.541 ( 0.000 0.000 22.360) 22.360 1.670 ( 0.000 0.000 -17.290) 17.290 1.670 ( 0.000 0.000 17.290) 17.290 2.199 ( 0.000 0.000 -9.673) 9.673 2.199 ( 0.000 0.000 9.673) 9.673 2.304 ( 0.000 0.000 -3.180) 3.180 2.304 ( 0.000 0.000 3.180) 3.180 2.342 ( 0.000 0.000 -7.854) 7.854 2.342 ( 0.000 0.000 7.854) 7.854 2.537 ( 0.000 0.000 -7.585) 7.585 2.537 ( 0.000 0.000 7.585) 7.585 2.714 ( 0.000 0.000 -1.821) 1.821 2.714 ( 0.000 0.000 1.821) 1.821 2.807 ( 0.000 0.000 -3.934) 3.934 2.807 ( 0.000 0.000 3.934) 3.934 3.078 ( 0.000 0.000 -15.105) 15.105 3.078 ( 0.000 0.000 15.105) 15.105 3.104 ( 0.000 0.000 -0.304) 0.304 3.104 ( 0.000 0.000 0.304) 0.304 3.323 ( 0.000 0.000 -9.657) 9.657 3.323 ( 0.000 0.000 9.657) 9.657 3.422 ( 0.000 0.000 -4.444) 4.444 3.422 ( 0.000 0.000 4.444) 4.444 3.672 ( 0.000 0.000 -1.820) 1.820 3.672 ( 0.000 0.000 1.820) 1.820 3.695 ( 0.000 0.000 -2.833) 2.833 3.695 ( 0.000 0.000 2.833) 2.833 3.845 ( 0.000 0.000 -6.041) 6.041 3.845 ( 0.000 0.000 6.041) 6.041 3.918 ( 0.000 0.000 -3.581) 3.581 3.918 ( 0.000 0.000 3.581) 3.581 4.050 ( 0.000 0.000 -5.167) 5.167 4.050 ( 0.000 0.000 5.167) 5.167 4.310 ( 0.000 0.000 -1.239) 1.239 4.310 ( 0.000 0.000 1.239) 1.239 4.373 ( 0.000 0.000 -6.721) 6.721 4.373 ( 0.000 0.000 6.721) 6.721 4.404 ( 0.000 0.000 -3.903) 3.903 4.404 ( 0.000 0.000 3.903) 3.903 4.501 ( 0.000 0.000 -1.997) 1.997 4.501 ( 0.000 0.000 1.997) 1.997 4.639 ( 0.000 0.000 -2.211) 2.211 4.639 ( 0.000 0.000 2.211) 2.211 4.880 ( 0.000 0.000 -7.090) 7.090 4.880 ( 0.000 0.000 7.090) 7.090 4.938 ( 0.000 0.000 -4.831) 4.831 4.938 ( 0.000 0.000 4.831) 4.831 5.124 ( 0.000 0.000 -18.993) 18.993 5.124 ( 0.000 0.000 18.993) 18.993 5.192 ( 0.000 0.000 -0.184) 0.184 5.192 ( 0.000 0.000 0.184) 0.184 5.303 ( 0.000 0.000 -3.441) 3.441 5.303 ( 0.000 0.000 3.441) 3.441 5.447 ( 0.000 0.000 -7.868) 7.868 5.447 ( 0.000 0.000 7.868) 7.868 5.591 ( 0.000 0.000 -2.145) 2.145 5.591 ( 0.000 0.000 2.145) 2.145 5.620 ( 0.000 0.000 -2.994) 2.994 5.620 ( 0.000 0.000 2.994) 2.994 5.675 ( 0.000 0.000 -2.473) 2.473 5.675 ( 0.000 0.000 2.473) 2.473 5.688 ( 0.000 0.000 -10.120) 10.120 5.688 ( 0.000 0.000 10.120) 10.120 5.875 ( 0.000 0.000 -2.999) 2.999 5.875 ( 0.000 0.000 2.999) 2.999 6.116 ( 0.000 0.000 -2.228) 2.228 6.116 ( 0.000 0.000 2.228) 2.228 6.195 ( 0.000 0.000 -6.282) 6.282 6.195 ( 0.000 0.000 6.282) 6.282 6.536 ( 0.000 0.000 -1.627) 1.627 6.536 ( 0.000 0.000 1.627) 1.627 6.588 ( 0.000 0.000 -1.305) 1.305 6.588 ( 0.000 0.000 1.305) 1.305 6.599 ( 0.000 0.000 -1.793) 1.793 6.599 ( 0.000 0.000 1.793) 1.793 6.601 ( 0.000 0.000 -2.607) 2.607 6.601 ( 0.000 0.000 2.607) 2.607 6.661 ( 0.000 0.000 -1.988) 1.988 6.661 ( 0.000 0.000 1.988) 1.988 6.757 ( 0.000 0.000 -4.722) 4.722 6.757 ( 0.000 0.000 4.722) 4.722 6.786 ( 0.000 0.000 -2.304) 2.304 6.786 ( 0.000 0.000 2.304) 2.304 6.923 ( 0.000 0.000 -1.167) 1.167 6.923 ( 0.000 0.000 1.167) 1.167 6.948 ( 0.000 0.000 -2.749) 2.749 6.948 ( 0.000 0.000 2.749) 2.749 7.158 ( 0.000 0.000 -0.377) 0.377 7.158 ( 0.000 0.000 0.377) 0.377 7.257 ( 0.000 0.000 -2.973) 2.973 7.257 ( 0.000 0.000 2.973) 2.973 7.302 ( 0.000 0.000 -0.527) 0.527 7.302 ( 0.000 0.000 0.527) 0.527 7.306 ( 0.000 0.000 -1.484) 1.484 7.306 ( 0.000 0.000 1.484) 1.484 7.393 ( 0.000 0.000 -2.803) 2.803 7.393 ( 0.000 0.000 2.803) 2.803 7.404 ( 0.000 0.000 -1.413) 1.413 7.404 ( 0.000 0.000 1.413) 1.413 7.542 ( 0.000 0.000 -0.653) 0.653 7.542 ( 0.000 0.000 0.653) 0.653 7.753 ( 0.000 0.000 -2.870) 2.870 7.753 ( 0.000 0.000 2.870) 2.870 7.772 ( 0.000 0.000 -4.708) 4.708 7.772 ( 0.000 0.000 4.708) 4.708 7.991 ( 0.000 0.000 -0.326) 0.326 7.991 ( 0.000 0.000 0.326) 0.326 8.169 ( 0.000 0.000 -4.012) 4.012 8.169 ( 0.000 0.000 4.012) 4.012 8.176 ( 0.000 0.000 -1.281) 1.281 8.176 ( 0.000 0.000 1.281) 1.281 8.276 ( 0.000 0.000 -3.260) 3.260 8.276 ( 0.000 0.000 3.260) 3.260 8.470 ( 0.000 0.000 -0.745) 0.745 8.470 ( 0.000 0.000 0.745) 0.745 9.476 ( 0.000 0.000 -17.130) 17.130 9.476 ( 0.000 0.000 17.130) 17.130 15.030 ( 0.000 0.000 -1.550) 1.550 15.030 ( 0.000 0.000 1.550) 1.550 15.061 ( 0.000 0.000 -0.931) 0.931 15.061 ( 0.000 0.000 0.931) 0.931 15.079 ( 0.000 0.000 -0.313) 0.313 15.079 ( 0.000 0.000 0.313) 0.313 15.160 ( 0.000 0.000 -1.641) 1.641 15.160 ( 0.000 0.000 1.641) 1.641 15.272 ( 0.000 0.000 -0.415) 0.415 15.272 ( 0.000 0.000 0.415) 0.415 15.314 ( 0.000 0.000 -1.187) 1.187 15.314 ( 0.000 0.000 1.187) 1.187 15.342 ( 0.000 0.000 -0.281) 0.281 15.342 ( 0.000 0.000 0.281) 0.281 15.410 ( 0.000 0.000 -2.197) 2.197 15.410 ( 0.000 0.000 2.197) 2.197 18.754 ( 0.000 0.000 -1.226) 1.226 18.754 ( 0.000 0.000 1.226) 1.226 18.776 ( 0.000 0.000 -1.164) 1.164 18.776 ( 0.000 0.000 1.164) 1.164 18.845 ( 0.000 0.000 -0.616) 0.616 18.845 ( 0.000 0.000 0.616) 0.616 18.935 ( 0.000 0.000 -1.298) 1.298 18.935 ( 0.000 0.000 1.298) 1.298 19.163 ( 0.000 0.000 -1.782) 1.782 19.163 ( 0.000 0.000 1.782) 1.782 19.188 ( 0.000 0.000 -2.729) 2.729 19.188 ( 0.000 0.000 2.729) 2.729 19.219 ( 0.000 0.000 -0.937) 0.937 19.219 ( 0.000 0.000 0.937) 0.937 19.300 ( 0.000 0.000 -0.271) 0.271 19.300 ( 0.000 0.000 0.271) 0.271 19.375 ( 0.000 0.000 -0.041) 0.041 19.375 ( 0.000 0.000 0.041) 0.041 19.396 ( 0.000 0.000 -0.752) 0.752 19.396 ( 0.000 0.000 0.752) 0.752 19.465 ( 0.000 0.000 -0.598) 0.598 19.465 ( 0.000 0.000 0.598) 0.598 19.595 ( 0.000 0.000 -1.119) 1.119 19.595 ( 0.000 0.000 1.119) 1.119 25.477 ( 0.000 0.000 -0.252) 0.252 25.477 ( 0.000 0.000 0.252) 0.252 25.484 ( 0.000 0.000 -0.006) 0.006 25.484 ( 0.000 0.000 0.006) 0.006 25.510 ( 0.000 0.000 -0.056) 0.056 25.510 ( 0.000 0.000 0.056) 0.056 25.531 ( 0.000 0.000 -0.580) 0.580 25.531 ( 0.000 0.000 0.580) 0.580 26.796 ( 0.000 0.000 -5.011) 5.011 26.796 ( 0.000 0.000 5.011) 5.011 27.001 ( 0.000 0.000 -4.039) 4.039 27.001 ( 0.000 0.000 4.039) 4.039 27.179 ( 0.000 0.000 -1.266) 1.266 27.179 ( 0.000 0.000 1.266) 1.266 27.354 ( 0.000 0.000 -3.205) 3.205 27.354 ( 0.000 0.000 3.205) 3.205 27.380 ( 0.000 0.000 -8.996) 8.996 27.380 ( 0.000 0.000 8.996) 8.996 27.731 ( 0.000 0.000 -8.042) 8.042 27.731 ( 0.000 0.000 8.042) 8.042 27.972 ( 0.000 0.000 -8.848) 8.848 27.972 ( 0.000 0.000 8.848) 8.848 28.136 ( 0.000 0.000 -17.138) 17.138 28.136 ( 0.000 0.000 17.138) 17.138 28.145 ( 0.000 0.000 -4.176) 4.176 28.145 ( 0.000 0.000 4.176) 4.176 28.673 ( 0.000 0.000 -7.338) 7.338 28.673 ( 0.000 0.000 7.338) 7.338 29.024 ( 0.000 0.000 -4.736) 4.736 29.024 ( 0.000 0.000 4.736) 4.736 29.239 ( 0.000 0.000 -2.987) 2.987 29.239 ( 0.000 0.000 2.987) 2.987 ======================= Grid point 107 (38/48) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 6.136 0.000 -6.741) 9.115 1.466 ( 6.136 0.000 6.741) 9.115 1.707 ( 7.030 0.000 -10.722) 12.821 1.707 ( 7.030 0.000 10.722) 12.821 1.743 ( 9.751 0.000 -0.050) 9.751 1.743 ( 9.751 0.000 0.050) 9.751 2.207 ( 0.872 0.000 -10.937) 10.971 2.207 ( 0.872 0.000 10.937) 10.971 2.324 ( 2.157 0.000 -4.040) 4.580 2.324 ( 2.157 0.000 4.040) 4.580 2.390 ( 4.328 0.000 -6.534) 7.837 2.390 ( 4.328 0.000 6.534) 7.837 2.522 ( -1.173 0.000 -6.847) 6.947 2.522 ( -1.173 0.000 6.847) 6.947 2.689 ( -2.493 0.000 -0.129) 2.497 2.689 ( -2.493 0.000 0.129) 2.497 2.790 ( -1.739 0.000 -2.185) 2.793 2.790 ( -1.739 0.000 2.185) 2.793 3.030 ( -2.887 0.000 -0.787) 2.992 3.030 ( -2.887 0.000 0.787) 2.992 3.185 ( 4.696 0.000 -12.258) 13.127 3.185 ( 4.696 0.000 12.258) 13.127 3.287 ( -0.919 0.000 -4.746) 4.834 3.287 ( -0.919 0.000 4.746) 4.834 3.478 ( 3.850 0.000 -0.658) 3.906 3.478 ( 3.850 0.000 0.658) 3.906 3.557 ( -5.366 0.000 -5.694) 7.824 3.557 ( -5.366 0.000 5.694) 7.824 3.732 ( 0.559 0.000 -4.328) 4.364 3.732 ( 0.559 0.000 4.328) 4.364 3.859 ( -4.774 0.000 -5.123) 7.003 3.859 ( -4.774 0.000 5.123) 7.003 3.959 ( 8.141 0.000 -8.007) 11.418 3.959 ( 8.141 0.000 8.007) 11.418 3.981 ( -3.375 0.000 -8.646) 9.282 3.981 ( -3.375 0.000 8.646) 9.282 4.344 ( 0.649 0.000 -3.335) 3.397 4.344 ( 0.649 0.000 3.335) 3.397 4.411 ( 0.396 0.000 -2.029) 2.068 4.411 ( 0.396 0.000 2.029) 2.068 4.442 ( 5.201 0.000 -1.863) 5.524 4.442 ( 5.201 0.000 1.863) 5.524 4.592 ( 7.699 0.000 -0.500) 7.715 4.592 ( 7.699 0.000 0.500) 7.715 4.617 ( -0.741 0.000 -1.590) 1.754 4.617 ( -0.741 0.000 1.590) 1.754 4.826 ( -1.531 0.000 -1.954) 2.482 4.826 ( -1.531 0.000 1.954) 2.482 4.970 ( -0.493 0.000 -7.084) 7.101 4.970 ( -0.493 0.000 7.084) 7.101 5.086 ( -3.542 0.000 -17.987) 18.333 5.086 ( -3.542 0.000 17.987) 18.333 5.199 ( -0.706 0.000 -3.017) 3.098 5.199 ( -0.706 0.000 3.017) 3.098 5.269 ( 0.257 0.000 -1.059) 1.090 5.269 ( 0.257 0.000 1.059) 1.090 5.461 ( -1.536 0.000 -5.236) 5.456 5.461 ( -1.536 0.000 5.236) 5.456 5.519 ( -4.690 0.000 -4.512) 6.508 5.519 ( -4.690 0.000 4.512) 6.508 5.624 ( 2.135 0.000 -2.486) 3.277 5.624 ( 2.135 0.000 2.486) 3.277 5.678 ( 2.115 0.000 -2.264) 3.099 5.678 ( 2.115 0.000 2.264) 3.099 5.769 ( 2.334 0.000 -2.693) 3.564 5.769 ( 2.334 0.000 2.693) 3.564 5.850 ( -1.918 0.000 -2.692) 3.306 5.850 ( -1.918 0.000 2.692) 3.306 5.995 ( -7.419 0.000 -0.671) 7.449 5.995 ( -7.419 0.000 0.671) 7.449 6.241 ( -1.634 0.000 -3.822) 4.156 6.241 ( -1.634 0.000 3.822) 4.156 6.428 ( -9.022 0.000 -0.107) 9.023 6.428 ( -9.022 0.000 0.107) 9.022 6.449 ( -7.824 0.000 -4.162) 8.862 6.449 ( -7.824 0.000 4.162) 8.862 6.617 ( -0.545 0.000 -3.573) 3.614 6.617 ( -0.545 0.000 3.573) 3.614 6.640 ( -1.848 0.000 -1.969) 2.701 6.640 ( -1.848 0.000 1.969) 2.701 6.661 ( -0.474 0.000 -3.838) 3.867 6.661 ( -0.474 0.000 3.838) 3.867 6.698 ( -1.119 0.000 -4.800) 4.928 6.698 ( -1.119 0.000 4.800) 4.928 6.741 ( -1.631 0.000 -0.819) 1.825 6.741 ( -1.631 0.000 0.819) 1.825 6.832 ( -3.197 0.000 -3.588) 4.806 6.832 ( -3.197 0.000 3.588) 4.806 6.979 ( 0.304 0.000 -2.444) 2.463 6.979 ( 0.304 0.000 2.444) 2.463 7.054 ( -9.464 0.000 -0.972) 9.514 7.054 ( -9.464 0.000 0.972) 9.514 7.170 ( -3.825 0.000 -4.689) 6.051 7.170 ( -3.825 0.000 4.689) 6.051 7.286 ( -2.399 0.000 -1.342) 2.749 7.286 ( -2.399 0.000 1.342) 2.749 7.381 ( 2.060 0.000 -3.050) 3.680 7.381 ( 2.060 0.000 3.050) 3.680 7.426 ( 9.446 0.000 -2.978) 9.904 7.426 ( 9.446 0.000 2.978) 9.904 7.593 ( 6.786 0.000 -0.400) 6.797 7.593 ( 6.786 0.000 0.400) 6.797 7.643 ( 5.238 0.000 -2.410) 5.766 7.643 ( 5.238 0.000 2.410) 5.766 7.744 ( 3.909 0.000 -1.439) 4.165 7.744 ( 3.909 0.000 1.439) 4.165 7.807 ( 2.988 0.000 -2.881) 4.151 7.807 ( 2.988 0.000 2.881) 4.151 7.970 ( -1.677 0.000 -1.477) 2.234 7.970 ( -1.677 0.000 1.477) 2.234 8.201 ( 3.446 0.000 -2.935) 4.526 8.201 ( 3.446 0.000 2.935) 4.526 8.247 ( 3.884 0.000 -1.498) 4.163 8.247 ( 3.884 0.000 1.498) 4.163 8.333 ( 5.702 0.000 -0.713) 5.746 8.333 ( 5.702 0.000 0.713) 5.746 8.492 ( 3.728 0.000 -1.537) 4.033 8.492 ( 3.728 0.000 1.537) 4.033 9.389 ( -8.374 0.000 -15.808) 17.889 9.389 ( -8.374 0.000 15.808) 17.889 15.031 ( 0.151 0.000 -1.203) 1.213 15.031 ( 0.151 0.000 1.203) 1.213 15.066 ( 0.443 0.000 -1.209) 1.288 15.066 ( 0.443 0.000 1.209) 1.288 15.077 ( -0.252 0.000 -0.318) 0.406 15.077 ( -0.252 0.000 0.318) 0.406 15.151 ( -0.863 0.000 -1.790) 1.987 15.151 ( -0.863 0.000 1.790) 1.987 15.273 ( 0.111 0.000 -0.374) 0.390 15.273 ( 0.111 0.000 0.374) 0.390 15.307 ( -0.590 0.000 -1.027) 1.184 15.307 ( -0.590 0.000 1.027) 1.184 15.332 ( -0.840 0.000 -0.140) 0.852 15.332 ( -0.840 0.000 0.140) 0.852 15.398 ( -1.179 0.000 -2.116) 2.422 15.398 ( -1.179 0.000 2.116) 2.422 18.760 ( 0.755 0.000 -1.084) 1.321 18.760 ( 0.755 0.000 1.084) 1.321 18.794 ( 1.367 0.000 -1.232) 1.840 18.794 ( 1.367 0.000 1.232) 1.840 18.850 ( 0.617 0.000 -0.572) 0.841 18.850 ( 0.617 0.000 0.572) 0.841 18.932 ( -0.364 0.000 -1.225) 1.278 18.932 ( -0.364 0.000 1.225) 1.278 19.159 ( -0.334 0.000 -1.627) 1.661 19.159 ( -0.334 0.000 1.627) 1.661 19.177 ( -0.723 0.000 -2.216) 2.331 19.177 ( -0.723 0.000 2.216) 2.331 19.232 ( 0.977 0.000 -1.299) 1.626 19.232 ( 0.977 0.000 1.299) 1.626 19.296 ( -0.436 0.000 -0.556) 0.706 19.296 ( -0.436 0.000 0.556) 0.706 19.363 ( -0.456 0.000 -0.032) 0.457 19.363 ( -0.456 0.000 0.032) 0.457 19.404 ( 0.225 0.000 -0.059) 0.232 19.404 ( 0.225 0.000 0.059) 0.232 19.476 ( 1.111 0.000 -0.718) 1.323 19.476 ( 1.111 0.000 0.718) 1.323 19.596 ( -0.087 0.000 -0.627) 0.633 19.596 ( -0.087 0.000 0.627) 0.633 25.481 ( 0.328 0.000 -0.178) 0.373 25.481 ( 0.328 0.000 0.178) 0.373 25.489 ( 0.439 0.000 -0.080) 0.446 25.489 ( 0.439 0.000 0.080) 0.446 25.509 ( -0.139 0.000 -0.041) 0.145 25.509 ( -0.139 0.000 0.041) 0.145 25.529 ( -0.212 0.000 -0.590) 0.627 25.529 ( -0.212 0.000 0.590) 0.627 26.845 ( 4.952 0.000 -4.343) 6.587 26.845 ( 4.952 0.000 4.343) 6.587 26.990 ( -0.633 0.000 -3.870) 3.921 26.990 ( -0.633 0.000 3.870) 3.921 27.189 ( -0.405 0.000 -0.183) 0.444 27.189 ( -0.405 0.000 0.183) 0.444 27.317 ( -2.290 0.000 -0.481) 2.340 27.317 ( -2.290 0.000 0.481) 2.340 27.400 ( 2.083 0.000 -6.101) 6.447 27.400 ( 2.083 0.000 6.101) 6.447 27.645 ( -7.500 0.000 -3.331) 8.206 27.645 ( -7.500 0.000 3.331) 8.206 27.816 ( -11.615 0.000 -1.983) 11.784 27.816 ( -11.615 0.000 1.983) 11.784 28.036 ( -6.490 0.000 -13.241) 14.746 28.036 ( -6.490 0.000 13.241) 14.746 28.328 ( 10.729 0.000 -0.003) 10.729 28.328 ( 10.729 0.000 0.003) 10.729 28.692 ( 1.484 0.000 -4.668) 4.899 28.692 ( 1.484 0.000 4.668) 4.899 29.045 ( 2.647 0.000 -5.385) 6.000 29.045 ( 2.647 0.000 5.385) 6.000 29.280 ( 2.675 0.000 -2.499) 3.660 29.280 ( 2.675 0.000 2.499) 3.660 ======================= Grid point 109 (39/48) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 13.196 0.000 -12.500) 18.176 1.675 ( 13.196 0.000 12.500) 18.176 1.824 ( 5.416 0.000 -13.791) 14.817 1.824 ( 5.416 0.000 13.791) 14.817 1.913 ( 6.660 0.000 -2.987) 7.299 1.913 ( 6.660 0.000 2.987) 7.299 2.199 ( -3.155 0.000 -13.263) 13.633 2.199 ( -3.155 0.000 13.263) 13.633 2.389 ( 4.272 0.000 -3.077) 5.265 2.389 ( 4.272 0.000 3.077) 5.265 2.473 ( 2.704 0.000 -4.745) 5.461 2.473 ( 2.704 0.000 4.745) 5.461 2.520 ( 1.793 0.000 -5.673) 5.949 2.520 ( 1.793 0.000 5.673) 5.949 2.602 ( -5.389 0.000 -4.981) 7.339 2.602 ( -5.389 0.000 4.981) 7.339 2.767 ( -0.624 0.000 -4.363) 4.408 2.767 ( -0.624 0.000 4.363) 4.408 2.937 ( -7.460 0.000 -0.408) 7.471 2.937 ( -7.460 0.000 0.408) 7.471 3.241 ( 4.294 0.000 -6.824) 8.062 3.241 ( 4.294 0.000 6.824) 8.062 3.350 ( 3.384 0.000 -6.372) 7.215 3.350 ( 3.384 0.000 6.372) 7.215 3.476 ( 0.033 0.000 -6.729) 6.729 3.476 ( 0.033 0.000 6.729) 6.729 3.585 ( 3.231 0.000 -0.263) 3.242 3.585 ( 3.231 0.000 0.263) 3.242 3.707 ( -2.116 0.000 -3.752) 4.308 3.707 ( -2.116 0.000 3.752) 4.308 3.820 ( 2.329 0.000 -3.400) 4.122 3.820 ( 2.329 0.000 3.400) 4.122 3.912 ( -2.220 0.000 -4.428) 4.953 3.912 ( -2.220 0.000 4.428) 4.953 4.139 ( 5.907 0.000 -4.196) 7.245 4.139 ( 5.907 0.000 4.196) 7.245 4.302 ( -2.826 0.000 -5.642) 6.310 4.302 ( -2.826 0.000 5.642) 6.310 4.405 ( -0.513 0.000 -0.039) 0.515 4.405 ( -0.513 0.000 0.039) 0.515 4.484 ( 0.137 0.000 -0.074) 0.155 4.484 ( 0.137 0.000 0.074) 0.155 4.657 ( -3.445 0.000 -7.459) 8.217 4.657 ( -3.445 0.000 7.459) 8.217 4.717 ( 8.626 0.000 -1.912) 8.835 4.717 ( 8.626 0.000 1.912) 8.835 4.851 ( 4.603 0.000 -0.793) 4.671 4.851 ( 4.603 0.000 0.793) 4.671 4.928 ( -2.198 0.000 -9.369) 9.624 4.928 ( -2.198 0.000 9.369) 9.624 5.052 ( 1.488 0.000 -8.810) 8.935 5.052 ( 1.488 0.000 8.810) 8.935 5.179 ( -0.360 0.000 -1.528) 1.570 5.179 ( -0.360 0.000 1.528) 1.570 5.303 ( -0.506 0.000 -2.812) 2.857 5.303 ( -0.506 0.000 2.812) 2.857 5.362 ( -4.604 0.000 -4.127) 6.182 5.362 ( -4.604 0.000 4.127) 6.182 5.466 ( -3.854 0.000 -2.150) 4.413 5.466 ( -3.854 0.000 2.150) 4.413 5.688 ( -1.419 0.000 -6.188) 6.348 5.688 ( -1.419 0.000 6.188) 6.348 5.695 ( -1.196 0.000 -9.000) 9.080 5.695 ( -1.196 0.000 9.000) 9.080 5.708 ( 2.000 0.000 -0.853) 2.175 5.708 ( 2.000 0.000 0.853) 2.175 5.862 ( -1.560 0.000 -0.223) 1.576 5.862 ( -1.560 0.000 0.223) 1.576 5.909 ( -0.441 0.000 -2.682) 2.718 5.909 ( -0.441 0.000 2.682) 2.718 6.078 ( -10.323 0.000 -2.268) 10.570 6.078 ( -10.323 0.000 2.268) 10.570 6.227 ( -6.238 0.000 -0.048) 6.239 6.227 ( -6.238 0.000 0.048) 6.239 6.426 ( -2.215 0.000 -1.631) 2.751 6.426 ( -2.215 0.000 1.631) 2.751 6.559 ( -4.786 0.000 -2.179) 5.258 6.559 ( -4.786 0.000 2.179) 5.258 6.577 ( -1.872 0.000 -1.848) 2.630 6.577 ( -1.872 0.000 1.848) 2.630 6.639 ( 0.320 0.000 -4.140) 4.152 6.639 ( 0.320 0.000 4.140) 4.152 6.706 ( -0.486 0.000 -1.451) 1.530 6.706 ( -0.486 0.000 1.451) 1.530 6.736 ( 2.521 0.000 -2.573) 3.602 6.736 ( 2.521 0.000 2.573) 3.602 6.837 ( 1.776 0.000 -2.995) 3.482 6.837 ( 1.776 0.000 2.995) 3.482 6.940 ( -2.840 0.000 -0.671) 2.919 6.940 ( -2.840 0.000 0.671) 2.919 6.990 ( 0.987 0.000 -1.473) 1.774 6.990 ( 0.987 0.000 1.473) 1.774 7.091 ( -3.992 0.000 -5.641) 6.910 7.091 ( -3.992 0.000 5.641) 6.910 7.198 ( -5.796 0.000 -0.640) 5.832 7.198 ( -5.796 0.000 0.640) 5.832 7.430 ( 3.374 0.000 -4.005) 5.237 7.430 ( 3.374 0.000 4.005) 5.237 7.568 ( 3.934 0.000 -1.316) 4.149 7.568 ( 3.934 0.000 1.316) 4.149 7.614 ( -1.677 0.000 -9.208) 9.359 7.614 ( -1.677 0.000 9.208) 9.359 7.739 ( 6.604 0.000 -0.203) 6.607 7.739 ( 6.604 0.000 0.203) 6.607 7.799 ( -2.260 0.000 -2.511) 3.378 7.799 ( -2.260 0.000 2.511) 3.378 7.839 ( -0.652 0.000 -4.549) 4.596 7.839 ( -0.652 0.000 4.549) 4.596 8.052 ( 9.819 0.000 -0.253) 9.822 8.052 ( 9.819 0.000 0.253) 9.822 8.251 ( 1.284 0.000 -3.387) 3.622 8.251 ( 1.284 0.000 3.387) 3.622 8.306 ( 2.090 0.000 -4.299) 4.780 8.306 ( 2.090 0.000 4.299) 4.780 8.378 ( -0.964 0.000 -3.679) 3.803 8.378 ( -0.964 0.000 3.679) 3.803 8.683 ( 13.859 0.000 -9.420) 16.758 8.683 ( 13.859 0.000 9.420) 16.758 9.187 ( -11.720 0.000 -13.793) 18.100 9.187 ( -11.720 0.000 13.793) 18.100 15.037 ( 0.492 0.000 -0.567) 0.750 15.037 ( 0.492 0.000 0.567) 0.750 15.064 ( -0.663 0.000 -0.038) 0.664 15.064 ( -0.663 0.000 0.038) 0.664 15.082 ( 0.864 0.000 -1.412) 1.656 15.082 ( 0.864 0.000 1.412) 1.656 15.129 ( -1.353 0.000 -2.017) 2.429 15.129 ( -1.353 0.000 2.017) 2.429 15.277 ( 0.263 0.000 -0.324) 0.418 15.277 ( 0.263 0.000 0.324) 0.418 15.296 ( -0.550 0.000 -0.896) 1.051 15.296 ( -0.550 0.000 0.896) 1.051 15.322 ( 0.083 0.000 -0.354) 0.364 15.322 ( 0.083 0.000 0.354) 0.364 15.369 ( -1.694 0.000 -1.731) 2.422 15.369 ( -1.694 0.000 1.731) 2.422 18.781 ( 1.253 0.000 -0.809) 1.491 18.781 ( 1.253 0.000 0.809) 1.491 18.812 ( 0.232 0.000 -0.731) 0.767 18.812 ( 0.232 0.000 0.731) 0.767 18.870 ( 1.390 0.000 -0.730) 1.570 18.870 ( 1.390 0.000 0.730) 1.570 18.921 ( -0.823 0.000 -1.096) 1.370 18.921 ( -0.823 0.000 1.096) 1.370 19.156 ( 0.054 0.000 -1.473) 1.474 19.156 ( 0.054 0.000 1.473) 1.474 19.166 ( -0.425 0.000 -1.852) 1.900 19.166 ( -0.425 0.000 1.852) 1.900 19.250 ( 0.832 0.000 -1.343) 1.580 19.250 ( 0.832 0.000 1.343) 1.580 19.283 ( -0.842 0.000 -0.923) 1.249 19.283 ( -0.842 0.000 0.923) 1.249 19.366 ( 0.698 0.000 -0.054) 0.700 19.366 ( 0.698 0.000 0.054) 0.700 19.400 ( -0.550 0.000 -0.171) 0.576 19.400 ( -0.550 0.000 0.171) 0.576 19.505 ( 1.827 0.000 -0.465) 1.885 19.505 ( 1.827 0.000 0.465) 1.885 19.583 ( -1.407 0.000 -0.130) 1.413 19.583 ( -1.407 0.000 0.130) 1.413 25.489 ( 0.437 0.000 -0.100) 0.448 25.489 ( 0.437 0.000 0.100) 0.448 25.499 ( 0.431 0.000 -0.217) 0.483 25.499 ( 0.431 0.000 0.217) 0.483 25.506 ( -0.065 0.000 -0.065) 0.092 25.506 ( -0.065 0.000 0.065) 0.092 25.523 ( -0.394 0.000 -0.541) 0.669 25.523 ( -0.394 0.000 0.541) 0.669 26.975 ( 7.443 0.000 -2.524) 7.859 26.975 ( 7.443 0.000 2.524) 7.859 26.992 ( 1.050 0.000 -4.086) 4.219 26.992 ( 1.050 0.000 4.086) 4.219 27.142 ( -2.783 0.000 -2.744) 3.908 27.142 ( -2.783 0.000 2.744) 3.908 27.295 ( -0.429 0.000 -1.987) 2.033 27.295 ( -0.429 0.000 1.987) 2.033 27.443 ( -1.400 0.000 -3.458) 3.731 27.443 ( -1.400 0.000 3.458) 3.731 27.493 ( -7.152 0.000 -1.649) 7.339 27.493 ( -7.152 0.000 1.649) 7.339 27.625 ( -3.763 0.000 -0.182) 3.768 27.625 ( -3.763 0.000 0.182) 3.768 27.882 ( -8.923 0.000 -8.518) 12.336 27.882 ( -8.923 0.000 8.518) 12.336 28.519 ( 8.642 0.000 -1.357) 8.748 28.519 ( 8.642 0.000 1.357) 8.748 28.704 ( -0.754 0.000 -1.954) 2.095 28.704 ( -0.754 0.000 1.954) 2.095 29.126 ( 5.384 0.000 -4.314) 6.899 29.126 ( 5.384 0.000 4.314) 6.899 29.297 ( -1.332 0.000 -1.941) 2.354 29.297 ( -1.332 0.000 1.941) 2.354 ======================= Grid point 111 (40/48) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -3.501 0.000 -13.299) 13.752 1.858 ( 3.501 0.000 -13.299) 13.752 1.858 ( -3.501 0.000 13.299) 13.752 1.858 ( 3.501 0.000 13.299) 13.752 2.064 ( -9.550 0.000 -10.699) 14.341 2.064 ( 9.550 0.000 -10.699) 14.341 2.064 ( -9.550 0.000 10.699) 14.341 2.064 ( 9.550 0.000 10.699) 14.341 2.465 ( -3.331 0.000 -5.424) 6.365 2.465 ( 3.331 0.000 -5.424) 6.365 2.465 ( -3.331 0.000 5.424) 6.365 2.465 ( 3.331 0.000 5.424) 6.365 2.553 ( -1.296 0.000 -2.735) 3.027 2.553 ( 1.296 0.000 -2.735) 3.027 2.553 ( -1.296 0.000 2.735) 3.027 2.553 ( 1.296 0.000 2.735) 3.027 2.795 ( -4.875 0.000 -1.666) 5.152 2.795 ( 4.875 0.000 -1.666) 5.152 2.795 ( -4.875 0.000 1.666) 5.152 2.795 ( 4.875 0.000 1.666) 5.152 3.337 ( -3.986 0.000 -6.968) 8.027 3.337 ( 3.986 0.000 -6.968) 8.027 3.337 ( -3.986 0.000 6.968) 8.027 3.337 ( 3.986 0.000 6.968) 8.027 3.540 ( -5.277 0.000 -2.826) 5.986 3.540 ( 5.277 0.000 -2.826) 5.986 3.540 ( -5.277 0.000 2.826) 5.986 3.540 ( 5.277 0.000 2.826) 5.986 3.768 ( -6.166 0.000 -0.507) 6.187 3.768 ( -6.166 0.000 0.507) 6.187 3.768 ( 6.166 0.000 -0.507) 6.187 3.768 ( 6.166 0.000 0.507) 6.187 4.031 ( -11.262 0.000 -1.650) 11.382 4.031 ( -11.262 0.000 1.650) 11.382 4.031 ( 11.262 0.000 -1.650) 11.382 4.031 ( 11.262 0.000 1.650) 11.382 4.379 ( -4.615 0.000 -3.131) 5.577 4.379 ( 4.615 0.000 -3.131) 5.577 4.379 ( -4.615 0.000 3.131) 5.577 4.379 ( 4.615 0.000 3.131) 5.577 4.519 ( -5.526 0.000 -2.274) 5.975 4.519 ( 5.526 0.000 -2.274) 5.975 4.519 ( -5.526 0.000 2.274) 5.975 4.519 ( 5.526 0.000 2.274) 5.975 4.863 ( -4.646 0.000 -3.618) 5.888 4.863 ( 4.646 0.000 -3.618) 5.888 4.863 ( -4.646 0.000 3.618) 5.888 4.863 ( 4.646 0.000 3.618) 5.888 5.014 ( -8.677 0.000 -6.730) 10.981 5.014 ( 8.677 0.000 -6.730) 10.981 5.014 ( -8.677 0.000 6.730) 10.981 5.014 ( 8.677 0.000 6.730) 10.981 5.206 ( -4.215 0.000 -1.752) 4.565 5.206 ( 4.215 0.000 -1.752) 4.565 5.206 ( -4.215 0.000 1.752) 4.565 5.206 ( 4.215 0.000 1.752) 4.565 5.377 ( -4.482 0.000 -3.491) 5.681 5.377 ( 4.482 0.000 -3.491) 5.681 5.377 ( -4.482 0.000 3.491) 5.681 5.377 ( 4.482 0.000 3.491) 5.681 5.664 ( -1.167 0.000 -9.904) 9.972 5.664 ( 1.167 0.000 -9.904) 9.972 5.664 ( -1.167 0.000 9.904) 9.972 5.664 ( 1.167 0.000 9.904) 9.972 5.808 ( -4.140 0.000 -0.961) 4.250 5.808 ( -4.140 0.000 0.961) 4.250 5.808 ( 4.140 0.000 -0.961) 4.250 5.808 ( 4.140 0.000 0.961) 4.250 5.920 ( -3.981 0.000 -0.350) 3.996 5.920 ( -3.981 0.000 0.350) 3.996 5.920 ( 3.981 0.000 -0.350) 3.996 5.920 ( 3.981 0.000 0.350) 3.996 6.277 ( -8.603 0.000 -0.177) 8.605 6.277 ( -8.603 0.000 0.177) 8.605 6.277 ( 8.603 0.000 -0.177) 8.605 6.277 ( 8.603 0.000 0.177) 8.605 6.551 ( -1.386 0.000 -1.068) 1.750 6.551 ( 1.386 0.000 -1.068) 1.750 6.551 ( -1.386 0.000 1.068) 1.750 6.551 ( 1.386 0.000 1.068) 1.750 6.672 ( -2.471 0.000 -1.772) 3.041 6.672 ( 2.471 0.000 -1.772) 3.041 6.672 ( -2.471 0.000 1.772) 3.041 6.672 ( 2.471 0.000 1.772) 3.041 6.816 ( -4.196 0.000 -0.141) 4.198 6.816 ( -4.196 0.000 0.141) 4.198 6.816 ( 4.196 0.000 -0.141) 4.198 6.816 ( 4.196 0.000 0.141) 4.198 6.951 ( -3.787 0.000 -5.608) 6.767 6.951 ( 3.787 0.000 -5.608) 6.767 6.951 ( -3.787 0.000 5.608) 6.767 6.951 ( 3.787 0.000 5.608) 6.767 7.096 ( -4.117 0.000 -1.776) 4.484 7.096 ( 4.117 0.000 -1.776) 4.484 7.096 ( -4.117 0.000 1.776) 4.484 7.096 ( 4.117 0.000 1.776) 4.484 7.511 ( -4.695 0.000 -4.843) 6.745 7.511 ( 4.695 0.000 -4.843) 6.745 7.511 ( -4.695 0.000 4.843) 6.745 7.511 ( 4.695 0.000 4.843) 6.745 7.701 ( -5.992 0.000 -0.911) 6.061 7.701 ( -5.992 0.000 0.911) 6.061 7.701 ( 5.992 0.000 -0.911) 6.061 7.701 ( 5.992 0.000 0.911) 6.061 7.823 ( -2.091 0.000 -1.707) 2.699 7.823 ( 2.091 0.000 -1.707) 2.699 7.823 ( -2.091 0.000 1.707) 2.699 7.823 ( 2.091 0.000 1.707) 2.699 8.215 ( -5.682 0.000 -1.825) 5.968 8.215 ( -5.682 0.000 1.825) 5.968 8.215 ( 5.682 0.000 -1.825) 5.968 8.215 ( 5.682 0.000 1.825) 5.968 8.342 ( -2.078 0.000 -4.359) 4.829 8.342 ( 2.078 0.000 -4.359) 4.829 8.342 ( -2.078 0.000 4.359) 4.829 8.342 ( 2.078 0.000 4.359) 4.829 8.948 ( -13.047 0.000 -12.183) 17.851 8.948 ( 13.047 0.000 -12.183) 17.851 8.948 ( -13.047 0.000 12.183) 17.851 8.948 ( 13.047 0.000 12.183) 17.851 15.050 ( -0.771 0.000 -0.099) 0.777 15.050 ( -0.771 0.000 0.099) 0.777 15.050 ( 0.771 0.000 -0.099) 0.777 15.050 ( 0.771 0.000 0.099) 0.777 15.103 ( -1.243 0.000 -1.942) 2.306 15.103 ( 1.243 0.000 -1.942) 2.306 15.103 ( -1.243 0.000 1.942) 2.306 15.103 ( 1.243 0.000 1.942) 2.306 15.285 ( -0.562 0.000 -0.572) 0.802 15.285 ( 0.562 0.000 -0.572) 0.802 15.285 ( -0.562 0.000 0.572) 0.802 15.285 ( 0.562 0.000 0.572) 0.802 15.338 ( -1.393 0.000 -1.063) 1.752 15.338 ( 1.393 0.000 -1.063) 1.752 15.338 ( -1.393 0.000 1.063) 1.752 15.338 ( 1.393 0.000 1.063) 1.752 18.804 ( -0.946 0.000 -0.200) 0.967 18.804 ( -0.946 0.000 0.200) 0.967 18.804 ( 0.946 0.000 -0.200) 0.967 18.804 ( 0.946 0.000 0.200) 0.967 18.899 ( -1.427 0.000 -0.956) 1.718 18.899 ( 1.427 0.000 -0.956) 1.718 18.899 ( -1.427 0.000 0.956) 1.718 18.899 ( 1.427 0.000 0.956) 1.718 19.160 ( -0.294 0.000 -1.601) 1.628 19.160 ( 0.294 0.000 -1.601) 1.628 19.160 ( -0.294 0.000 1.601) 1.628 19.160 ( 0.294 0.000 1.601) 1.628 19.266 ( -0.851 0.000 -1.165) 1.443 19.266 ( 0.851 0.000 -1.165) 1.443 19.266 ( -0.851 0.000 1.165) 1.443 19.266 ( 0.851 0.000 1.165) 1.443 19.384 ( -1.014 0.000 -0.062) 1.016 19.384 ( -1.014 0.000 0.062) 1.016 19.384 ( 1.014 0.000 -0.062) 1.016 19.384 ( 1.014 0.000 0.062) 1.016 19.546 ( -2.239 0.000 -0.106) 2.241 19.546 ( -2.239 0.000 0.106) 2.241 19.546 ( 2.239 0.000 -0.106) 2.241 19.546 ( 2.239 0.000 0.106) 2.241 25.497 ( -0.375 0.000 -0.092) 0.386 25.497 ( -0.375 0.000 0.092) 0.386 25.497 ( 0.375 0.000 -0.092) 0.386 25.497 ( 0.375 0.000 0.092) 0.386 25.514 ( -0.576 0.000 -0.388) 0.694 25.514 ( 0.576 0.000 -0.388) 0.694 25.514 ( -0.576 0.000 0.388) 0.694 25.514 ( 0.576 0.000 0.388) 0.694 27.024 ( -2.003 0.000 -3.405) 3.950 27.024 ( 2.003 0.000 -3.405) 3.950 27.024 ( -2.003 0.000 3.405) 3.950 27.024 ( 2.003 0.000 3.405) 3.950 27.213 ( -8.829 0.000 -0.925) 8.878 27.213 ( -8.829 0.000 0.925) 8.878 27.213 ( 8.829 0.000 -0.925) 8.878 27.213 ( 8.829 0.000 0.925) 8.878 27.395 ( -2.528 0.000 -2.173) 3.334 27.395 ( 2.528 0.000 -2.173) 3.334 27.395 ( -2.528 0.000 2.173) 3.334 27.395 ( 2.528 0.000 2.173) 3.334 27.711 ( -8.308 0.000 -4.508) 9.453 27.711 ( 8.308 0.000 -4.508) 9.453 27.711 ( -8.308 0.000 4.508) 9.453 27.711 ( 8.308 0.000 4.508) 9.453 28.651 ( -4.844 0.000 -1.554) 5.087 28.651 ( -4.844 0.000 1.554) 5.087 28.651 ( 4.844 0.000 -1.554) 5.087 28.651 ( 4.844 0.000 1.554) 5.087 29.232 ( -4.953 0.000 -2.466) 5.533 29.232 ( 4.953 0.000 -2.466) 5.533 29.232 ( -4.953 0.000 2.466) 5.533 29.232 ( 4.953 0.000 2.466) 5.533 ======================= Grid point 119 (41/48) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.000 8.467 -7.068) 11.029 1.553 ( 0.000 8.467 7.068) 11.029 1.582 ( 0.000 3.739 -21.342) 21.667 1.582 ( 0.000 3.739 21.342) 21.667 1.733 ( 0.000 5.069 -10.698) 11.838 1.733 ( 0.000 5.069 10.698) 11.838 2.203 ( 0.000 0.333 -1.870) 1.899 2.203 ( 0.000 0.333 1.870) 1.899 2.230 ( 0.000 -6.581 -4.280) 7.851 2.230 ( 0.000 -6.581 4.280) 7.851 2.523 ( 0.000 9.647 -7.216) 12.047 2.523 ( 0.000 9.647 7.216) 12.047 2.537 ( 0.000 -2.140 -6.095) 6.460 2.537 ( 0.000 -2.140 6.095) 6.460 2.713 ( 0.000 8.300 -4.138) 9.275 2.713 ( 0.000 8.300 4.138) 9.275 2.804 ( 0.000 0.234 -8.771) 8.774 2.804 ( 0.000 0.234 8.771) 8.774 3.013 ( 0.000 -5.858 -1.250) 5.990 3.013 ( 0.000 -5.858 1.250) 5.990 3.095 ( 0.000 -0.694 -7.226) 7.260 3.095 ( 0.000 -0.694 7.226) 7.260 3.358 ( 0.000 3.940 -6.334) 7.459 3.358 ( 0.000 3.940 6.334) 7.459 3.403 ( 0.000 -2.711 -1.882) 3.300 3.403 ( 0.000 -2.711 1.882) 3.300 3.656 ( 0.000 -1.638 -2.962) 3.384 3.656 ( 0.000 -1.638 2.962) 3.384 3.768 ( 0.000 5.497 -3.425) 6.476 3.768 ( 0.000 5.497 3.425) 6.476 3.938 ( 0.000 -2.144 -4.384) 4.881 3.938 ( 0.000 -2.144 4.384) 4.881 3.965 ( 0.000 10.376 -8.191) 13.219 3.965 ( 0.000 10.376 8.191) 13.219 4.046 ( 0.000 3.756 -3.384) 5.056 4.046 ( 0.000 3.756 3.384) 5.056 4.171 ( 0.000 -7.066 -8.902) 11.365 4.171 ( 0.000 -7.066 8.902) 11.365 4.377 ( 0.000 -2.442 -6.416) 6.865 4.377 ( 0.000 -2.442 6.416) 6.865 4.381 ( 0.000 -0.655 -3.057) 3.127 4.381 ( 0.000 -0.655 3.057) 3.127 4.570 ( 0.000 3.714 -6.651) 7.618 4.570 ( 0.000 3.714 6.651) 7.618 4.706 ( 0.000 3.519 -8.756) 9.436 4.706 ( 0.000 3.519 8.756) 9.436 4.840 ( 0.000 -2.996 -3.543) 4.640 4.840 ( 0.000 -2.996 3.543) 4.640 4.939 ( 0.000 0.196 -10.199) 10.201 4.939 ( 0.000 0.196 10.199) 10.201 5.193 ( 0.000 0.327 -1.021) 1.072 5.193 ( 0.000 0.327 1.021) 1.072 5.198 ( 0.000 5.101 -4.815) 7.015 5.198 ( 0.000 5.101 4.815) 7.015 5.330 ( 0.000 2.983 -7.299) 7.885 5.330 ( 0.000 2.983 7.299) 7.885 5.363 ( 0.000 -8.044 -3.684) 8.848 5.363 ( 0.000 -8.044 3.684) 8.848 5.557 ( 0.000 -5.449 -6.080) 8.165 5.557 ( 0.000 -5.449 6.080) 8.165 5.580 ( 0.000 0.059 -1.406) 1.408 5.580 ( 0.000 0.059 1.406) 1.408 5.634 ( 0.000 -2.452 -5.261) 5.804 5.634 ( 0.000 -2.452 5.261) 5.804 5.705 ( 0.000 0.644 -10.175) 10.195 5.705 ( 0.000 0.644 10.175) 10.195 5.871 ( 0.000 -1.081 -3.881) 4.029 5.871 ( 0.000 -1.081 3.881) 4.029 6.164 ( 0.000 3.560 -4.085) 5.418 6.164 ( 0.000 3.560 4.085) 5.418 6.182 ( 0.000 -1.402 -3.900) 4.145 6.182 ( 0.000 -1.402 3.900) 4.145 6.423 ( 0.000 -8.698 -10.630) 13.735 6.423 ( 0.000 -8.698 10.630) 13.735 6.450 ( 0.000 -4.521 -3.225) 5.553 6.450 ( 0.000 -4.521 3.225) 5.553 6.583 ( 0.000 -2.082 -4.846) 5.275 6.583 ( 0.000 -2.082 4.846) 5.275 6.646 ( 0.000 -0.095 -4.118) 4.119 6.646 ( 0.000 -0.095 4.118) 4.119 6.725 ( 0.000 3.761 -4.355) 5.754 6.725 ( 0.000 3.761 4.355) 5.754 6.752 ( 0.000 1.411 -3.930) 4.175 6.752 ( 0.000 1.411 3.930) 4.175 6.837 ( 0.000 2.446 -1.624) 2.936 6.837 ( 0.000 2.446 1.624) 2.936 6.926 ( 0.000 -1.797 -3.357) 3.808 6.926 ( 0.000 -1.797 3.357) 3.808 6.986 ( 0.000 4.587 -3.101) 5.537 6.986 ( 0.000 4.587 3.101) 5.537 7.143 ( 0.000 -1.661 -0.576) 1.758 7.143 ( 0.000 -1.661 0.576) 1.758 7.165 ( 0.000 -4.465 -1.101) 4.599 7.165 ( 0.000 -4.465 1.101) 4.599 7.248 ( 0.000 -4.308 -0.786) 4.379 7.248 ( 0.000 -4.308 0.786) 4.379 7.314 ( 0.000 0.103 -0.826) 0.832 7.314 ( 0.000 0.103 0.826) 0.832 7.393 ( 0.000 -0.630 -1.062) 1.235 7.393 ( 0.000 -0.630 1.062) 1.235 7.481 ( 0.000 4.800 -0.959) 4.895 7.481 ( 0.000 4.800 0.959) 4.895 7.576 ( 0.000 2.361 -1.169) 2.634 7.576 ( 0.000 2.361 1.169) 2.634 7.781 ( 0.000 1.481 -5.757) 5.944 7.781 ( 0.000 1.481 5.757) 5.944 7.810 ( 0.000 4.731 -5.098) 6.955 7.810 ( 0.000 4.731 5.098) 6.955 8.033 ( 0.000 2.916 -5.087) 5.863 8.033 ( 0.000 2.916 5.087) 5.863 8.134 ( 0.000 -2.586 -2.409) 3.534 8.134 ( 0.000 -2.586 2.409) 3.534 8.208 ( 0.000 2.684 -1.303) 2.983 8.208 ( 0.000 2.684 1.303) 2.983 8.270 ( 0.000 -0.471 -4.830) 4.853 8.270 ( 0.000 -0.471 4.830) 4.853 8.557 ( 0.000 7.432 -5.006) 8.961 8.557 ( 0.000 7.432 5.006) 8.961 9.340 ( 0.000 -12.031 -14.511) 18.850 9.340 ( 0.000 -12.031 14.511) 18.850 15.036 ( 0.000 0.577 -1.569) 1.672 15.036 ( 0.000 0.577 1.569) 1.672 15.058 ( 0.000 -0.259 -0.620) 0.672 15.058 ( 0.000 -0.259 0.620) 0.672 15.079 ( 0.000 0.010 -0.623) 0.623 15.079 ( 0.000 0.010 0.623) 0.623 15.146 ( 0.000 -1.217 -1.528) 1.953 15.146 ( 0.000 -1.217 1.528) 1.953 15.280 ( 0.000 0.751 -0.368) 0.836 15.280 ( 0.000 0.751 0.368) 0.836 15.318 ( 0.000 0.382 -1.312) 1.366 15.318 ( 0.000 0.382 1.312) 1.366 15.338 ( 0.000 -0.458 -0.268) 0.530 15.338 ( 0.000 -0.458 0.268) 0.530 15.394 ( 0.000 -1.442 -2.045) 2.503 15.394 ( 0.000 -1.442 2.045) 2.503 18.756 ( 0.000 0.180 -1.554) 1.565 18.756 ( 0.000 0.180 1.554) 1.565 18.771 ( 0.000 -0.390 -1.228) 1.288 18.771 ( 0.000 -0.390 1.228) 1.288 18.851 ( 0.000 0.594 -0.427) 0.732 18.851 ( 0.000 0.594 0.427) 0.732 18.925 ( 0.000 -1.012 -1.131) 1.517 18.925 ( 0.000 -1.012 1.131) 1.517 19.146 ( 0.000 -1.002 -0.942) 1.375 19.146 ( 0.000 -1.002 0.942) 1.375 19.185 ( 0.000 -2.466 -1.084) 2.694 19.185 ( 0.000 -2.466 1.084) 2.694 19.203 ( 0.000 0.892 -1.139) 1.447 19.203 ( 0.000 0.892 1.139) 1.447 19.279 ( 0.000 -1.770 -0.758) 1.926 19.279 ( 0.000 -1.770 0.758) 1.926 19.381 ( 0.000 0.543 -0.119) 0.556 19.381 ( 0.000 0.543 0.119) 0.556 19.393 ( 0.000 0.206 -0.802) 0.828 19.393 ( 0.000 0.206 0.802) 0.828 19.504 ( 0.000 2.672 -0.797) 2.789 19.504 ( 0.000 2.672 0.797) 2.789 19.593 ( 0.000 -0.236 -1.011) 1.038 19.593 ( 0.000 -0.236 1.011) 1.038 25.477 ( 0.000 -0.092 -0.191) 0.211 25.477 ( 0.000 -0.092 0.191) 0.211 25.480 ( 0.000 -0.336 -0.024) 0.337 25.480 ( 0.000 -0.336 0.024) 0.337 25.511 ( 0.000 0.056 -0.043) 0.070 25.511 ( 0.000 0.056 0.043) 0.070 25.530 ( 0.000 -0.176 -0.566) 0.593 25.530 ( 0.000 -0.176 0.566) 0.593 26.875 ( 0.000 6.653 -3.206) 7.385 26.875 ( 0.000 6.653 3.206) 7.385 27.077 ( 0.000 6.990 -3.811) 7.962 27.077 ( 0.000 6.990 3.811) 7.962 27.211 ( 0.000 2.291 -2.615) 3.477 27.211 ( 0.000 2.291 2.615) 3.477 27.342 ( 0.000 -3.145 -6.149) 6.906 27.342 ( 0.000 -3.145 6.149) 6.906 27.447 ( 0.000 7.915 -2.723) 8.370 27.447 ( 0.000 7.915 2.723) 8.370 27.761 ( 0.000 2.655 -9.019) 9.402 27.761 ( 0.000 2.655 9.019) 9.402 27.999 ( 0.000 0.719 -7.253) 7.288 27.999 ( 0.000 0.719 7.253) 7.288 28.072 ( 0.000 -6.681 -3.686) 7.630 28.072 ( 0.000 -6.681 3.686) 7.630 28.150 ( 0.000 3.136 -9.611) 10.109 28.150 ( 0.000 3.136 9.611) 10.109 28.633 ( 0.000 -3.902 -8.242) 9.119 28.633 ( 0.000 -3.902 8.242) 9.119 28.972 ( 0.000 -4.371 -1.832) 4.739 28.972 ( 0.000 -4.371 1.832) 4.739 29.129 ( 0.000 -9.175 -2.926) 9.630 29.129 ( 0.000 -9.175 2.926) 9.630 ======================= Grid point 121 (42/48) ======================= q-point: ( 0.17 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 5.742 9.747 -2.987) 11.700 1.586 ( 5.742 9.747 2.987) 11.700 1.640 ( 6.466 1.917 -3.823) 7.753 1.640 ( 6.466 1.917 3.823) 7.753 1.931 ( 13.882 7.618 -8.269) 17.864 1.931 ( 13.882 7.618 8.269) 17.864 2.218 ( 3.355 -1.318 -1.836) 4.045 2.218 ( 3.355 -1.318 1.836) 4.045 2.266 ( 2.511 -3.155 -1.652) 4.358 2.266 ( 2.511 -3.155 1.652) 4.358 2.456 ( -4.751 2.394 -1.868) 5.638 2.456 ( -4.751 2.394 1.868) 5.638 2.558 ( 0.733 0.768 -1.690) 1.995 2.558 ( 0.733 0.768 1.690) 1.995 2.674 ( -3.062 4.579 -2.246) 5.949 2.674 ( -3.062 4.579 2.246) 5.949 2.831 ( -0.733 3.963 -5.331) 6.683 2.831 ( -0.733 3.963 5.331) 6.683 2.972 ( 0.600 -3.328 -3.953) 5.202 2.972 ( 0.600 -3.328 3.953) 5.202 3.170 ( 3.617 -2.253 -6.798) 8.023 3.170 ( 3.617 -2.253 6.798) 8.023 3.259 ( -4.894 -1.197 -2.859) 5.793 3.259 ( -4.894 -1.197 2.859) 5.793 3.486 ( 4.462 0.895 -3.470) 5.723 3.486 ( 4.462 0.895 3.470) 5.723 3.610 ( -2.641 1.678 -2.507) 4.009 3.610 ( -2.641 1.678 2.507) 4.009 3.757 ( -3.374 2.281 -2.221) 4.639 3.757 ( -3.374 2.281 2.221) 4.639 3.881 ( -2.181 0.819 -1.609) 2.832 3.881 ( -2.181 0.819 1.609) 2.832 3.996 ( 1.477 5.590 -1.414) 5.952 3.996 ( 1.477 5.590 1.414) 5.952 4.051 ( 1.947 5.029 -7.322) 9.094 4.051 ( 1.947 5.029 7.322) 9.094 4.264 ( 6.092 -4.262 -10.396) 12.781 4.264 ( 6.092 -4.262 10.396) 12.781 4.390 ( 1.385 -1.333 -5.646) 5.964 4.390 ( 1.385 -1.333 5.646) 5.964 4.426 ( 3.751 -1.120 -3.408) 5.190 4.426 ( 3.751 -1.120 3.408) 5.190 4.604 ( 2.193 1.219 -4.114) 4.819 4.604 ( 2.193 1.219 4.114) 4.819 4.709 ( 1.127 4.357 -8.605) 9.711 4.709 ( 1.127 4.357 8.605) 9.711 4.798 ( -2.742 -2.831 -3.500) 5.271 4.798 ( -2.742 -2.831 3.500) 5.271 4.922 ( -1.384 -1.548 -6.991) 7.292 4.922 ( -1.384 -1.548 6.991) 7.292 5.154 ( -3.755 3.057 -5.274) 7.160 5.154 ( -3.755 3.057 5.274) 7.160 5.227 ( -1.203 1.571 -5.872) 6.196 5.227 ( -1.203 1.571 5.872) 6.196 5.252 ( -0.599 0.158 -3.283) 3.341 5.252 ( -0.599 0.158 3.283) 3.341 5.418 ( 2.039 -4.751 -0.867) 5.242 5.418 ( 2.039 -4.751 0.867) 5.242 5.500 ( -3.687 -2.151 -2.961) 5.195 5.500 ( -3.687 -2.151 2.961) 5.195 5.589 ( -0.642 -4.662 -3.066) 5.617 5.589 ( -0.642 -4.662 3.066) 5.617 5.647 ( 1.812 1.222 -1.452) 2.624 5.647 ( 1.812 1.222 1.452) 2.624 5.758 ( 3.523 -1.405 -2.431) 4.505 5.758 ( 3.523 -1.405 2.431) 4.505 5.834 ( -3.129 -0.771 -4.861) 5.832 5.834 ( -3.129 -0.771 4.861) 5.832 6.059 ( -6.838 3.011 -0.805) 7.515 6.059 ( -6.838 3.011 0.805) 7.515 6.197 ( -4.138 -3.776 -2.899) 6.307 6.197 ( -4.138 -3.776 2.899) 6.307 6.329 ( -2.370 -3.537 -4.338) 6.078 6.329 ( -2.370 -3.537 4.338) 6.078 6.474 ( -5.202 -3.642 -6.036) 8.761 6.474 ( -5.202 -3.642 6.036) 8.761 6.556 ( -3.256 0.720 -1.621) 3.708 6.556 ( -3.256 0.720 1.621) 3.708 6.603 ( -2.364 -2.348 -4.346) 5.476 6.603 ( -2.364 -2.348 4.346) 5.476 6.691 ( -2.057 0.738 -4.288) 4.813 6.691 ( -2.057 0.738 4.288) 4.813 6.736 ( -2.266 1.341 -0.302) 2.651 6.736 ( -2.266 1.341 0.302) 2.651 6.780 ( -1.097 3.526 -2.393) 4.400 6.780 ( -1.097 3.526 2.393) 4.400 6.857 ( -4.312 0.121 -2.515) 4.993 6.857 ( -4.312 0.121 2.515) 4.993 6.965 ( -0.239 -0.201 -1.627) 1.657 6.965 ( -0.239 -0.201 1.627) 1.657 7.031 ( -6.788 -2.564 -2.182) 7.577 7.031 ( -6.788 -2.564 2.182) 7.577 7.124 ( -4.731 -1.433 -3.484) 6.048 7.124 ( -4.731 -1.433 3.484) 6.048 7.249 ( -2.810 -3.970 -0.747) 4.921 7.249 ( -2.810 -3.970 0.747) 4.921 7.388 ( 1.756 1.236 -1.484) 2.610 7.388 ( 1.756 1.236 1.484) 2.610 7.432 ( 9.366 0.281 -1.606) 9.506 7.432 ( 9.366 0.281 1.606) 9.506 7.603 ( 4.814 0.793 -0.952) 4.971 7.603 ( 4.814 0.793 0.952) 4.971 7.662 ( 6.424 1.010 -0.801) 6.552 7.662 ( 6.424 1.010 0.801) 6.552 7.802 ( 1.622 3.520 -4.451) 5.902 7.802 ( 1.622 3.520 4.451) 5.902 7.851 ( 6.183 5.283 -4.570) 9.329 7.851 ( 6.183 5.283 4.570) 9.329 8.031 ( -0.131 4.112 -3.850) 5.634 8.031 ( -0.131 4.112 3.850) 5.634 8.174 ( 3.596 -1.433 -2.210) 4.457 8.174 ( 3.596 -1.433 2.210) 4.457 8.250 ( 3.621 0.246 -3.283) 4.894 8.250 ( 3.621 0.246 3.283) 4.894 8.348 ( 7.050 0.881 -0.983) 7.172 8.348 ( 7.050 0.881 0.983) 7.172 8.550 ( 0.262 5.473 -4.108) 6.848 8.550 ( 0.262 5.473 4.108) 6.848 9.263 ( -7.408 -11.203 -13.732) 19.208 9.263 ( -7.408 -11.203 13.732) 19.208 15.036 ( 0.063 0.493 -1.176) 1.276 15.036 ( 0.063 0.493 1.176) 1.276 15.062 ( 0.361 -0.318 -0.863) 0.988 15.062 ( 0.361 -0.318 0.863) 0.988 15.077 ( -0.166 0.066 -0.513) 0.543 15.077 ( -0.166 0.066 0.513) 0.543 15.138 ( -0.760 -1.124 -1.558) 2.066 15.138 ( -0.760 -1.124 1.558) 2.066 15.279 ( -0.043 0.602 -0.373) 0.710 15.279 ( -0.043 0.602 0.373) 0.710 15.311 ( -0.623 0.335 -1.103) 1.311 15.311 ( -0.623 0.335 1.103) 1.311 15.329 ( -0.744 -0.305 -0.257) 0.844 15.329 ( -0.744 -0.305 0.257) 0.844 15.382 ( -1.109 -1.380 -1.944) 2.629 15.382 ( -1.109 -1.380 1.944) 2.629 18.762 ( 0.708 0.140 -1.202) 1.401 18.762 ( 0.708 0.140 1.202) 1.401 18.788 ( 1.309 -0.488 -1.322) 1.923 18.788 ( 1.309 -0.488 1.322) 1.923 18.856 ( 0.502 0.516 -0.347) 0.799 18.856 ( 0.502 0.516 0.347) 0.799 18.923 ( -0.217 -0.877 -1.087) 1.414 18.923 ( -0.217 -0.877 1.087) 1.414 19.145 ( 0.021 -0.785 -0.783) 1.109 19.145 ( 0.021 -0.785 0.783) 1.109 19.178 ( -0.569 -1.060 -0.746) 1.416 19.178 ( -0.569 -1.060 0.746) 1.416 19.208 ( 0.389 -0.701 -1.327) 1.550 19.208 ( 0.389 -0.701 1.327) 1.550 19.272 ( -0.777 -1.940 -0.847) 2.255 19.272 ( -0.777 -1.940 0.847) 2.255 19.379 ( 0.330 1.221 -0.125) 1.271 19.379 ( 0.330 1.221 0.125) 1.271 19.409 ( 0.997 0.344 -0.508) 1.171 19.409 ( 0.997 0.344 0.508) 1.171 19.507 ( 0.271 2.268 -0.742) 2.402 19.507 ( 0.271 2.268 0.742) 2.402 19.593 ( -0.205 -0.367 -0.618) 0.747 19.593 ( -0.205 -0.367 0.618) 0.747 25.480 ( 0.298 -0.123 -0.116) 0.343 25.480 ( 0.298 -0.123 0.116) 0.343 25.485 ( 0.438 -0.342 -0.056) 0.558 25.485 ( 0.438 -0.342 0.056) 0.558 25.509 ( -0.134 0.058 -0.034) 0.150 25.509 ( -0.134 0.058 0.034) 0.150 25.528 ( -0.225 -0.176 -0.532) 0.604 25.528 ( -0.225 -0.176 0.532) 0.604 26.913 ( 3.838 5.719 -2.506) 7.329 26.913 ( 3.838 5.719 2.506) 7.329 27.065 ( -0.618 6.823 -3.373) 7.636 27.065 ( -0.618 6.823 3.373) 7.636 27.237 ( 1.212 3.475 -3.401) 5.010 27.237 ( 1.212 3.475 3.401) 5.011 27.347 ( 0.850 -2.282 -6.529) 6.968 27.347 ( 0.850 -2.282 6.529) 6.968 27.410 ( -2.525 6.009 -3.195) 7.259 27.410 ( -2.525 6.009 3.195) 7.259 27.674 ( -7.976 2.825 -4.060) 9.386 27.674 ( -7.976 2.825 4.060) 9.386 27.836 ( -10.822 0.532 -1.337) 10.917 27.836 ( -10.822 0.532 1.337) 10.917 28.004 ( -6.433 -2.872 -11.806) 13.748 28.004 ( -6.433 -2.872 11.806) 13.748 28.314 ( 10.802 -0.175 -2.600) 11.112 28.314 ( 10.802 -0.175 2.600) 11.112 28.658 ( 2.052 -3.286 -5.058) 6.371 28.658 ( 2.052 -3.286 5.058) 6.371 28.993 ( 2.393 -4.408 -3.237) 5.969 28.993 ( 2.393 -4.408 3.237) 5.969 29.171 ( 2.937 -9.175 -2.348) 9.916 29.171 ( 2.937 -9.175 2.348) 9.916 ======================= Grid point 123 (43/48) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 10.596 7.551 -3.501) 13.474 1.765 ( 10.596 7.551 3.501) 13.474 1.807 ( 10.349 2.428 -5.001) 11.747 1.807 ( 10.349 2.428 5.001) 11.747 2.074 ( 0.618 9.076 -1.744) 9.263 2.074 ( 0.618 9.076 1.744) 9.263 2.276 ( -2.717 2.737 -6.485) 7.545 2.276 ( -2.717 2.737 6.485) 7.545 2.363 ( 0.451 -1.710 -3.650) 4.056 2.363 ( 0.451 -1.710 3.650) 4.056 2.414 ( 9.363 -2.696 -2.459) 10.049 2.414 ( 9.363 -2.696 2.459) 10.049 2.538 ( -2.061 2.921 -2.326) 4.265 2.538 ( -2.061 2.921 2.326) 4.265 2.654 ( 2.405 0.091 -4.423) 5.035 2.654 ( 2.405 0.091 4.423) 5.035 2.786 ( -3.116 4.609 -5.783) 8.025 2.786 ( -3.116 4.609 5.783) 8.025 2.946 ( -6.208 1.895 -1.860) 6.752 2.946 ( -6.208 1.895 1.860) 6.752 3.216 ( 4.936 -3.159 -1.674) 6.094 3.216 ( 4.936 -3.159 1.674) 6.094 3.263 ( 3.544 -3.675 -5.423) 7.448 3.263 ( 3.544 -3.675 5.423) 7.448 3.521 ( -2.917 0.209 -3.324) 4.427 3.521 ( -2.917 0.209 3.324) 4.427 3.580 ( -1.990 -0.557 -4.428) 4.886 3.580 ( -1.990 -0.557 4.428) 4.886 3.701 ( 0.297 1.012 -4.802) 4.916 3.701 ( 0.297 1.012 4.802) 4.916 3.841 ( -1.364 2.057 -1.628) 2.956 3.841 ( -1.364 2.057 1.628) 2.956 4.010 ( 1.954 7.334 -2.811) 8.093 4.010 ( 1.954 7.334 2.811) 8.093 4.174 ( 7.427 2.289 -0.859) 7.819 4.174 ( 7.427 2.289 0.859) 7.819 4.289 ( -2.460 -0.530 -4.836) 5.452 4.289 ( -2.460 -0.530 4.836) 5.452 4.415 ( 0.761 0.247 -7.954) 7.994 4.415 ( 0.761 0.247 7.954) 7.994 4.481 ( 0.727 0.678 -6.544) 6.619 4.481 ( 0.727 0.678 6.544) 6.619 4.621 ( -3.615 -3.425 -1.729) 5.272 4.621 ( -3.615 -3.425 1.729) 5.272 4.739 ( 5.259 0.797 -1.279) 5.471 4.739 ( 5.259 0.797 1.279) 5.471 4.824 ( 5.277 -0.466 -5.266) 7.469 4.824 ( 5.277 -0.466 5.266) 7.469 4.919 ( 0.885 -0.913 -2.727) 3.009 4.919 ( 0.885 -0.913 2.727) 3.009 5.044 ( -5.034 0.506 -3.951) 6.419 5.044 ( -5.034 0.506 3.951) 6.419 5.204 ( -0.597 0.691 -6.718) 6.780 5.204 ( -0.597 0.691 6.718) 6.780 5.297 ( 2.654 0.796 -3.924) 4.804 5.297 ( 2.654 0.796 3.924) 4.804 5.371 ( -6.491 -4.498 -3.186) 8.515 5.371 ( -6.491 -4.498 3.186) 8.515 5.448 ( -2.557 1.811 -1.291) 3.389 5.448 ( -2.557 1.811 1.291) 3.389 5.593 ( 2.049 -4.975 -0.786) 5.438 5.593 ( 2.049 -4.975 0.786) 5.438 5.686 ( 1.912 -0.154 -4.823) 5.190 5.686 ( 1.912 -0.154 4.823) 5.190 5.733 ( -3.933 -3.618 -2.245) 5.797 5.733 ( -3.933 -3.618 2.245) 5.797 5.838 ( 1.241 1.792 -1.950) 2.925 5.838 ( 1.241 1.792 1.950) 2.925 5.944 ( -4.709 0.694 -1.433) 4.971 5.944 ( -4.709 0.694 1.433) 4.971 6.049 ( -8.055 -1.913 -2.001) 8.517 6.049 ( -8.055 -1.913 2.001) 8.517 6.277 ( -6.726 3.453 -0.615) 7.585 6.277 ( -6.726 3.453 0.615) 7.585 6.358 ( 1.353 -5.207 -3.872) 6.629 6.358 ( 1.353 -5.207 3.872) 6.629 6.502 ( -5.960 -3.606 -2.061) 7.264 6.502 ( -5.960 -3.606 2.061) 7.264 6.561 ( -1.633 -2.414 -1.577) 3.314 6.561 ( -1.633 -2.414 1.577) 3.314 6.652 ( 0.415 1.353 -3.742) 4.001 6.652 ( 0.415 1.353 3.742) 4.001 6.699 ( -1.544 0.417 -0.975) 1.873 6.699 ( -1.544 0.417 0.975) 1.873 6.774 ( -0.698 1.078 -2.635) 2.931 6.774 ( -0.698 1.078 2.635) 2.931 6.826 ( -0.818 -0.374 -2.025) 2.216 6.826 ( -0.818 -0.374 2.025) 2.216 6.931 ( -1.517 -2.309 -2.910) 4.013 6.931 ( -1.517 -2.309 2.910) 4.013 6.967 ( -0.162 0.799 -2.733) 2.852 6.967 ( -0.162 0.799 2.733) 2.852 7.075 ( -0.708 -0.982 -4.553) 4.711 7.075 ( -0.708 -0.982 4.553) 4.711 7.175 ( -4.149 -2.682 -0.631) 4.981 7.175 ( -4.149 -2.682 0.631) 4.981 7.437 ( 3.346 1.233 -1.156) 3.749 7.437 ( 3.346 1.233 1.156) 3.749 7.559 ( 3.594 -1.418 -2.103) 4.399 7.559 ( 3.594 -1.418 2.103) 4.399 7.623 ( -1.387 1.460 -2.374) 3.113 7.623 ( -1.387 1.460 2.374) 3.113 7.722 ( -0.140 -0.968 -2.261) 2.463 7.722 ( -0.140 -0.968 2.261) 2.463 7.866 ( 4.473 6.766 -4.054) 9.067 7.866 ( 4.473 6.766 4.054) 9.067 7.959 ( 1.227 7.014 -0.848) 7.171 7.959 ( 1.227 7.014 0.848) 7.171 8.087 ( 7.077 3.028 -1.634) 7.869 8.087 ( 7.077 3.028 1.634) 7.869 8.224 ( 1.240 -1.256 -2.722) 3.243 8.224 ( 1.240 -1.256 2.722) 3.243 8.333 ( 3.819 2.313 -5.548) 7.121 8.333 ( 3.819 2.313 5.548) 7.121 8.423 ( -0.416 3.354 -4.737) 5.819 8.423 ( -0.416 3.354 4.737) 5.819 8.654 ( 10.642 -2.328 -8.635) 13.900 8.654 ( 10.642 -2.328 8.635) 13.900 9.084 ( -10.364 -9.294 -12.649) 18.809 9.084 ( -10.364 -9.294 12.649) 18.809 15.041 ( 0.385 0.334 -0.567) 0.762 15.041 ( 0.385 0.334 0.567) 0.762 15.063 ( -0.451 -0.145 -0.072) 0.479 15.063 ( -0.451 -0.145 0.072) 0.479 15.080 ( 0.621 -0.166 -0.950) 1.147 15.080 ( 0.621 -0.166 0.950) 1.147 15.119 ( -1.182 -0.876 -1.619) 2.188 15.119 ( -1.182 -0.876 1.619) 2.188 15.280 ( 0.174 0.363 -0.409) 0.574 15.280 ( 0.174 0.363 0.409) 0.574 15.299 ( -0.581 0.267 -0.910) 1.113 15.299 ( -0.581 0.267 0.910) 1.113 15.318 ( -0.105 -0.350 -0.361) 0.514 15.318 ( -0.105 -0.350 0.361) 0.514 15.356 ( -1.508 -1.149 -1.530) 2.436 15.356 ( -1.508 -1.149 1.530) 2.436 18.781 ( 1.186 0.074 -0.845) 1.458 18.781 ( 1.186 0.074 0.845) 1.458 18.807 ( 0.396 -0.423 -0.857) 1.034 18.807 ( 0.396 -0.423 0.857) 1.034 18.872 ( 1.147 0.195 -0.402) 1.231 18.872 ( 1.147 0.195 0.402) 1.231 18.915 ( -0.644 -0.579 -0.973) 1.303 18.915 ( -0.644 -0.579 0.973) 1.303 19.149 ( 0.369 -0.410 -0.495) 0.741 19.149 ( 0.369 -0.410 0.495) 0.741 19.168 ( -0.505 -0.176 -0.521) 0.746 19.168 ( -0.505 -0.176 0.521) 0.746 19.217 ( 0.565 -1.967 -1.272) 2.410 19.217 ( 0.565 -1.967 1.272) 2.410 19.252 ( -1.140 -2.201 -0.980) 2.665 19.252 ( -1.140 -2.201 0.980) 2.665 19.395 ( 1.124 1.933 -0.263) 2.251 19.395 ( 1.124 1.933 0.263) 2.251 19.422 ( 0.240 1.320 -0.152) 1.350 19.422 ( 0.240 1.320 0.152) 1.350 19.517 ( 0.969 1.110 -0.574) 1.582 19.517 ( 0.969 1.110 0.574) 1.582 19.579 ( -1.311 -0.393 -0.120) 1.374 19.579 ( -1.311 -0.393 0.120) 1.374 25.487 ( 0.420 -0.147 -0.034) 0.446 25.487 ( 0.420 -0.147 0.034) 0.446 25.495 ( 0.457 -0.370 -0.184) 0.617 25.495 ( 0.457 -0.370 0.184) 0.617 25.506 ( -0.087 0.061 -0.039) 0.114 25.506 ( -0.087 0.061 0.039) 0.114 25.522 ( -0.417 -0.189 -0.431) 0.629 25.522 ( -0.417 -0.189 0.431) 0.629 27.015 ( 5.962 3.668 -1.137) 7.092 27.015 ( 5.962 3.668 1.137) 7.092 27.068 ( 1.081 6.706 -3.204) 7.510 27.068 ( 1.081 6.706 3.204) 7.510 27.221 ( -1.802 5.810 -2.642) 6.632 27.221 ( -1.802 5.810 2.642) 6.632 27.350 ( 0.072 4.372 -5.868) 7.318 27.350 ( 0.072 4.372 5.868) 7.318 27.415 ( -0.014 -1.729 -2.934) 3.406 27.415 ( -0.014 -1.729 2.934) 3.406 27.503 ( -7.917 1.743 -1.790) 8.302 27.503 ( -7.917 1.743 1.790) 8.302 27.658 ( -5.250 1.977 -3.881) 6.822 27.658 ( -5.250 1.977 3.881) 6.822 27.853 ( -8.562 -2.721 -7.834) 11.921 27.853 ( -8.562 -2.721 7.834) 11.921 28.507 ( 8.698 -0.573 -2.001) 8.944 28.507 ( 8.698 -0.573 2.001) 8.944 28.683 ( -0.137 -1.920 -1.901) 2.705 28.683 ( -0.137 -1.920 1.901) 2.705 29.062 ( 4.481 -5.528 -3.281) 7.836 29.062 ( 4.481 -5.528 3.281) 7.836 29.198 ( -0.625 -8.534 -1.790) 8.742 29.198 ( -0.625 -8.534 1.790) 8.742 ======================= Grid point 125 (44/48) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -1.113 5.338 -5.262) 7.577 1.921 ( -0.593 5.338 -5.253) 7.512 1.921 ( 0.593 5.338 5.253) 7.512 1.921 ( 1.113 5.338 5.262) 7.577 2.120 ( -8.960 3.313 -3.094) 10.042 2.120 ( 0.052 3.313 -0.806) 3.410 2.120 ( -0.052 3.313 0.806) 3.410 2.120 ( 8.960 3.313 3.094) 10.042 2.424 ( -2.330 -0.838 -4.250) 4.919 2.424 ( -0.371 -0.838 -4.180) 4.280 2.424 ( 0.371 -0.838 4.180) 4.280 2.424 ( 2.330 -0.838 4.250) 4.919 2.646 ( -6.309 3.977 -2.067) 7.738 2.646 ( -2.264 3.977 -0.647) 4.621 2.646 ( 2.264 3.977 0.647) 4.621 2.646 ( 6.309 3.977 2.067) 7.739 2.797 ( -5.706 2.815 -3.104) 7.079 2.797 ( -0.230 2.815 -2.454) 3.741 2.797 ( 0.230 2.815 2.454) 3.741 2.797 ( 5.706 2.815 3.104) 7.079 3.317 ( -2.977 -1.792 -5.883) 6.832 3.317 ( 2.975 -1.792 -5.882) 6.831 3.317 ( -2.975 -1.792 5.882) 6.831 3.317 ( 2.977 -1.792 5.883) 6.832 3.480 ( -3.869 -4.524 -9.355) 11.088 3.480 ( 3.604 -4.524 -9.343) 10.988 3.480 ( -3.604 -4.524 9.343) 10.988 3.480 ( 3.869 -4.524 9.355) 11.088 3.783 ( -4.945 1.896 -3.856) 6.551 3.783 ( 4.379 1.896 -3.779) 6.087 3.783 ( -4.379 1.896 3.779) 6.087 3.783 ( 4.945 1.896 3.856) 6.551 4.115 ( -7.946 5.639 -3.083) 10.220 4.115 ( 6.533 5.639 -2.689) 9.039 4.115 ( -6.533 5.639 2.689) 9.039 4.115 ( 7.946 5.639 3.083) 10.220 4.384 ( -6.350 -1.332 -5.011) 8.198 4.384 ( 6.305 -1.332 -5.005) 8.160 4.384 ( -6.305 -1.332 5.005) 8.160 4.384 ( 6.350 -1.332 5.011) 8.198 4.505 ( -2.522 1.067 -5.686) 6.311 4.505 ( 0.345 1.067 -5.625) 5.736 4.505 ( -0.345 1.067 5.625) 5.736 4.505 ( 2.522 1.067 5.686) 6.311 4.865 ( -4.583 -1.417 -1.307) 4.972 4.865 ( -2.410 -1.417 0.141) 2.799 4.865 ( 2.410 -1.417 -0.141) 2.799 4.865 ( 4.583 -1.417 1.307) 4.972 4.970 ( -5.113 -1.076 -11.603) 12.725 4.970 ( 4.784 -1.076 -11.588) 12.582 4.970 ( -4.784 -1.076 11.588) 12.582 4.970 ( 5.113 -1.076 11.603) 12.725 5.219 ( -2.647 -0.538 -5.371) 6.012 5.219 ( 1.089 -0.538 -5.310) 5.447 5.219 ( -1.089 -0.538 5.310) 5.447 5.219 ( 2.647 -0.538 5.371) 6.012 5.379 ( -3.567 0.991 -2.861) 4.678 5.379 ( 3.561 0.991 -2.860) 4.674 5.379 ( -3.561 0.991 2.860) 4.674 5.379 ( 3.567 0.991 2.861) 4.678 5.658 ( -1.758 -2.341 -7.493) 8.045 5.658 ( 0.809 -2.341 -7.475) 7.875 5.658 ( -0.809 -2.341 7.475) 7.875 5.658 ( 1.758 -2.341 7.493) 8.045 5.768 ( -5.782 -1.870 -2.904) 6.735 5.768 ( 0.865 -1.870 -2.192) 3.008 5.768 ( -0.865 -1.870 2.192) 3.008 5.768 ( 5.782 -1.870 2.904) 6.735 5.930 ( -2.976 0.651 -4.500) 5.434 5.930 ( 1.914 0.651 -4.435) 4.874 5.930 ( -1.914 0.651 4.435) 4.874 5.930 ( 2.976 0.651 4.500) 5.434 6.289 ( -5.917 0.617 -0.842) 6.009 6.289 ( -5.897 0.617 0.826) 5.987 6.289 ( 5.897 0.617 -0.826) 5.987 6.289 ( 5.917 0.617 0.842) 6.009 6.493 ( -3.500 -5.780 -5.353) 8.620 6.493 ( 2.803 -5.780 -5.307) 8.332 6.493 ( -2.803 -5.780 5.307) 8.332 6.493 ( 3.500 -5.780 5.353) 8.620 6.688 ( -0.881 1.424 -2.432) 2.953 6.688 ( 0.775 1.424 -2.428) 2.920 6.688 ( -0.775 1.424 2.428) 2.920 6.688 ( 0.881 1.424 2.432) 2.953 6.775 ( -1.948 -0.718 -4.925) 5.344 6.775 ( 1.510 -0.718 -4.908) 5.185 6.775 ( -1.510 -0.718 4.908) 5.185 6.775 ( 1.948 -0.718 4.925) 5.344 6.950 ( -1.257 -0.342 -3.988) 4.195 6.950 ( 1.090 -0.342 -3.983) 4.143 6.950 ( -1.090 -0.342 3.983) 4.143 6.950 ( 1.257 -0.342 3.988) 4.195 7.101 ( -2.371 -0.869 -1.277) 2.830 7.101 ( -0.960 -0.869 -1.053) 1.669 7.101 ( 0.960 -0.869 1.053) 1.669 7.101 ( 2.371 -0.869 1.277) 2.830 7.517 ( -3.200 0.990 -4.043) 5.251 7.517 ( 0.481 0.990 -3.903) 4.055 7.517 ( -0.481 0.990 3.903) 4.055 7.517 ( 3.200 0.990 4.043) 5.251 7.673 ( -2.811 -1.131 -6.529) 7.197 7.673 ( 1.695 -1.131 -6.486) 6.798 7.673 ( -1.695 -1.131 6.486) 6.798 7.673 ( 2.811 -1.131 6.529) 7.197 7.939 ( -1.654 8.094 -4.371) 9.347 7.939 ( 0.924 8.094 -4.347) 9.234 7.939 ( -0.924 8.094 4.347) 9.234 7.939 ( 1.654 8.094 4.371) 9.347 8.205 ( -3.060 -0.410 -2.140) 3.757 8.205 ( 0.281 -0.410 -1.884) 1.948 8.205 ( -0.281 -0.410 1.884) 1.948 8.205 ( 3.060 -0.410 2.140) 3.757 8.389 ( -2.198 4.030 -5.876) 7.457 8.389 ( 2.062 4.030 -5.871) 7.414 8.389 ( -2.062 4.030 5.871) 7.414 8.389 ( 2.198 4.030 5.876) 7.457 8.875 ( -11.213 -6.671 -11.801) 17.593 8.875 ( 11.015 -6.671 -11.781) 17.453 8.875 ( -11.015 -6.671 11.781) 17.453 8.875 ( 11.213 -6.671 11.801) 17.593 15.051 ( -0.598 0.139 -0.251) 0.663 15.051 ( -0.080 0.139 -0.155) 0.223 15.051 ( 0.080 0.139 0.155) 0.223 15.051 ( 0.598 0.139 0.251) 0.663 15.096 ( -0.993 -0.557 -1.692) 2.040 15.096 ( 0.913 -0.557 -1.687) 1.998 15.096 ( -0.913 -0.557 1.687) 1.998 15.096 ( 0.993 -0.557 1.692) 2.040 15.287 ( -0.529 0.262 -0.605) 0.845 15.287 ( 0.504 0.262 -0.602) 0.828 15.287 ( -0.504 0.262 0.602) 0.828 15.287 ( 0.529 0.262 0.605) 0.845 15.329 ( -1.114 -0.753 -0.878) 1.606 15.329 ( 1.057 -0.753 -0.870) 1.562 15.329 ( -1.057 -0.753 0.870) 1.562 15.329 ( 1.114 -0.753 0.878) 1.606 18.802 ( -0.728 -0.107 -0.280) 0.787 18.802 ( -0.230 -0.107 -0.159) 0.299 18.802 ( 0.230 -0.107 0.159) 0.299 18.802 ( 0.728 -0.107 0.280) 0.787 18.897 ( -1.219 -0.233 -0.775) 1.463 18.897 ( 1.011 -0.233 -0.741) 1.275 18.897 ( -1.011 -0.233 0.741) 1.275 18.897 ( 1.219 -0.233 0.775) 1.463 19.158 ( -0.187 -0.132 -1.426) 1.444 19.158 ( 0.076 -0.132 -1.425) 1.433 19.158 ( -0.076 -0.132 1.425) 1.433 19.158 ( 0.187 -0.132 1.426) 1.444 19.231 ( -0.936 -2.320 -1.113) 2.738 19.231 ( 0.933 -2.320 -1.113) 2.737 19.231 ( -0.933 -2.320 1.113) 2.737 19.231 ( 0.936 -2.320 1.113) 2.738 19.415 ( -0.650 2.075 -0.422) 2.215 19.415 ( -0.164 2.075 -0.367) 2.114 19.415 ( 0.164 2.075 0.367) 2.114 19.415 ( 0.650 2.075 0.422) 2.215 19.546 ( -1.827 0.026 -0.241) 1.843 19.546 ( -1.755 0.026 0.172) 1.764 19.546 ( 1.755 0.026 -0.172) 1.764 19.546 ( 1.827 0.026 0.241) 1.843 25.495 ( -0.268 -0.174 -0.134) 0.347 25.495 ( -0.104 -0.174 -0.106) 0.229 25.495 ( 0.104 -0.174 0.106) 0.229 25.495 ( 0.268 -0.174 0.134) 0.347 25.512 ( -0.542 -0.163 -0.248) 0.618 25.512 ( 0.452 -0.163 -0.227) 0.532 25.512 ( -0.452 -0.163 0.227) 0.532 25.512 ( 0.542 -0.163 0.248) 0.618 27.084 ( -0.483 5.023 -2.820) 5.781 27.084 ( 0.185 5.023 -2.816) 5.761 27.084 ( -0.185 5.023 2.816) 5.761 27.084 ( 0.483 5.023 2.820) 5.781 27.268 ( -7.529 4.571 -3.527) 9.488 27.268 ( 5.560 4.571 -3.095) 7.835 27.268 ( -5.560 4.571 3.095) 7.835 27.268 ( 7.529 4.571 3.527) 9.488 27.410 ( -3.413 1.580 -3.797) 5.344 27.410 ( 2.855 1.580 -3.746) 4.968 27.410 ( -2.855 1.580 3.746) 4.968 27.410 ( 3.413 1.580 3.797) 5.344 27.696 ( -6.607 -1.409 -4.426) 8.076 27.696 ( 4.452 -1.409 -4.116) 6.225 27.696 ( -4.452 -1.409 4.116) 6.225 27.696 ( 6.607 -1.409 4.426) 8.076 28.638 ( -4.441 -0.920 -2.190) 5.036 28.638 ( 1.753 -0.920 -1.716) 2.621 28.638 ( -1.753 -0.920 1.716) 2.621 28.638 ( 4.441 -0.920 2.190) 5.036 29.149 ( -4.015 -7.206 -2.027) 8.494 29.149 ( 3.664 -7.206 -1.952) 8.316 29.149 ( -3.664 -7.206 1.952) 8.316 29.149 ( 4.015 -7.206 2.027) 8.494 ======================= Grid point 133 (45/48) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.000 4.685 -18.317) 18.906 1.679 ( 0.000 4.685 18.317) 18.906 1.696 ( 0.000 4.145 -11.518) 12.241 1.696 ( 0.000 4.145 11.518) 12.241 1.908 ( 0.000 8.229 -3.323) 8.874 1.908 ( 0.000 8.229 3.323) 8.874 2.059 ( 0.000 -8.736 -3.402) 9.375 2.059 ( 0.000 -8.736 3.402) 9.375 2.171 ( 0.000 2.856 -6.666) 7.252 2.171 ( 0.000 2.856 6.666) 7.252 2.380 ( 0.000 -12.050 -2.341) 12.275 2.380 ( 0.000 -12.050 2.341) 12.275 2.732 ( 0.000 8.984 -6.238) 10.937 2.732 ( 0.000 8.984 6.238) 10.937 2.825 ( 0.000 0.200 -6.088) 6.091 2.825 ( 0.000 0.200 6.088) 6.091 2.947 ( 0.000 -0.102 -1.586) 1.589 2.947 ( 0.000 -0.102 1.586) 1.589 2.963 ( 0.000 4.614 -5.084) 6.866 2.963 ( 0.000 4.614 5.084) 6.866 3.093 ( 0.000 7.148 -3.732) 8.063 3.093 ( 0.000 7.148 3.732) 8.063 3.299 ( 0.000 -7.635 -0.105) 7.636 3.299 ( 0.000 -7.635 0.105) 7.636 3.472 ( 0.000 6.231 -6.736) 9.176 3.472 ( 0.000 6.231 6.736) 9.176 3.590 ( 0.000 -4.735 -6.335) 7.909 3.590 ( 0.000 -4.735 6.335) 7.909 3.836 ( 0.000 0.141 -6.544) 6.546 3.836 ( 0.000 0.141 6.544) 6.546 3.861 ( 0.000 -3.200 -4.622) 5.621 3.861 ( 0.000 -3.200 4.622) 5.621 4.095 ( 0.000 5.438 -9.540) 10.982 4.095 ( 0.000 5.438 9.540) 10.982 4.162 ( 0.000 4.105 -2.827) 4.984 4.162 ( 0.000 4.105 2.827) 4.984 4.260 ( 0.000 7.815 -11.112) 13.585 4.260 ( 0.000 7.815 11.112) 13.585 4.296 ( 0.000 -4.584 -5.462) 7.131 4.296 ( 0.000 -4.584 5.462) 7.131 4.365 ( 0.000 2.917 -8.400) 8.892 4.365 ( 0.000 2.917 8.400) 8.892 4.542 ( 0.000 -6.697 -10.855) 12.755 4.542 ( 0.000 -6.697 10.855) 12.755 4.750 ( 0.000 1.569 -13.333) 13.425 4.750 ( 0.000 1.569 13.333) 13.425 4.800 ( 0.000 -2.084 -12.254) 12.430 4.800 ( 0.000 -2.084 12.254) 12.430 4.984 ( 0.000 4.351 -12.320) 13.065 4.984 ( 0.000 4.351 12.320) 13.065 5.108 ( 0.000 -7.867 -10.943) 13.477 5.108 ( 0.000 -7.867 10.943) 13.477 5.251 ( 0.000 0.719 -7.561) 7.595 5.251 ( 0.000 0.719 7.561) 7.595 5.266 ( 0.000 -0.452 -7.374) 7.388 5.266 ( 0.000 -0.452 7.374) 7.388 5.395 ( 0.000 1.661 -5.936) 6.164 5.395 ( 0.000 1.661 5.936) 6.164 5.433 ( 0.000 -4.168 -2.832) 5.039 5.433 ( 0.000 -4.168 2.832) 5.039 5.622 ( 0.000 1.393 -7.126) 7.261 5.622 ( 0.000 1.393 7.126) 7.261 5.648 ( 0.000 6.283 -2.585) 6.794 5.648 ( 0.000 6.283 2.585) 6.794 5.682 ( 0.000 -2.502 -8.183) 8.557 5.682 ( 0.000 -2.502 8.183) 8.557 5.798 ( 0.000 -6.030 -5.090) 7.891 5.798 ( 0.000 -6.030 5.090) 7.891 6.145 ( 0.000 -1.134 -3.585) 3.761 6.145 ( 0.000 -1.134 3.585) 3.761 6.169 ( 0.000 -2.969 -8.360) 8.871 6.169 ( 0.000 -2.969 8.360) 8.871 6.364 ( 0.000 2.649 -4.753) 5.441 6.364 ( 0.000 2.649 4.753) 5.441 6.399 ( 0.000 -0.736 -3.891) 3.960 6.399 ( 0.000 -0.736 3.891) 3.960 6.540 ( 0.000 -0.966 -6.726) 6.794 6.540 ( 0.000 -0.966 6.726) 6.794 6.582 ( 0.000 -4.196 -6.421) 7.670 6.582 ( 0.000 -4.196 6.421) 7.670 6.800 ( 0.000 2.975 -3.484) 4.581 6.800 ( 0.000 2.975 3.484) 4.581 6.817 ( 0.000 2.455 -3.551) 4.317 6.817 ( 0.000 2.455 3.551) 4.317 6.880 ( 0.000 1.455 -3.735) 4.009 6.880 ( 0.000 1.455 3.735) 4.009 6.890 ( 0.000 -1.006 -5.539) 5.630 6.890 ( 0.000 -1.006 5.539) 5.630 7.041 ( 0.000 0.894 -4.515) 4.603 7.041 ( 0.000 0.894 4.515) 4.603 7.085 ( 0.000 -3.427 -1.934) 3.935 7.085 ( 0.000 -3.427 1.934) 3.935 7.128 ( 0.000 0.764 -0.540) 0.936 7.128 ( 0.000 0.764 0.540) 0.936 7.168 ( 0.000 -2.904 -1.013) 3.076 7.168 ( 0.000 -2.904 1.013) 3.076 7.331 ( 0.000 1.642 -0.520) 1.723 7.331 ( 0.000 1.642 0.520) 1.723 7.369 ( 0.000 -1.635 -0.427) 1.690 7.369 ( 0.000 -1.635 0.427) 1.690 7.562 ( 0.000 2.865 -0.237) 2.875 7.562 ( 0.000 2.865 0.237) 2.875 7.598 ( 0.000 -0.483 -0.205) 0.525 7.598 ( 0.000 -0.483 0.205) 0.525 7.842 ( 0.000 3.681 -7.681) 8.517 7.842 ( 0.000 3.681 7.681) 8.517 7.885 ( 0.000 0.821 -8.656) 8.695 7.885 ( 0.000 0.821 8.656) 8.695 8.080 ( 0.000 1.373 -3.571) 3.826 8.080 ( 0.000 1.373 3.571) 3.826 8.095 ( 0.000 -0.742 -1.650) 1.809 8.095 ( 0.000 -0.742 1.650) 1.809 8.257 ( 0.000 1.291 -2.971) 3.239 8.257 ( 0.000 1.291 2.971) 3.239 8.264 ( 0.000 -0.004 -6.371) 6.371 8.264 ( 0.000 -0.004 6.371) 6.371 8.756 ( 0.000 11.702 -7.705) 14.010 8.756 ( 0.000 11.702 7.705) 14.010 9.041 ( 0.000 -15.223 -10.442) 18.460 9.041 ( 0.000 -15.223 10.442) 18.460 15.049 ( 0.000 0.414 -1.272) 1.337 15.049 ( 0.000 0.414 1.272) 1.337 15.053 ( 0.000 -0.164 -0.546) 0.570 15.053 ( 0.000 -0.164 0.546) 0.570 15.086 ( 0.000 0.895 -0.922) 1.285 15.086 ( 0.000 0.895 0.922) 1.285 15.115 ( 0.000 -1.639 -1.081) 1.963 15.115 ( 0.000 -1.639 1.081) 1.963 15.301 ( 0.000 1.185 -0.321) 1.228 15.301 ( 0.000 1.185 0.321) 1.228 15.324 ( 0.000 -0.888 -0.276) 0.930 15.324 ( 0.000 -0.888 0.276) 0.930 15.331 ( 0.000 0.937 -1.669) 1.915 15.331 ( 0.000 0.937 1.669) 1.915 15.359 ( 0.000 -1.711 -1.860) 2.528 15.359 ( 0.000 -1.711 1.860) 2.528 18.760 ( 0.000 0.171 -1.758) 1.766 18.760 ( 0.000 0.171 1.758) 1.766 18.764 ( 0.000 -0.263 -1.518) 1.541 18.764 ( 0.000 -0.263 1.518) 1.541 18.869 ( 0.000 1.112 -0.516) 1.226 18.869 ( 0.000 1.112 0.516) 1.226 18.897 ( 0.000 -1.511 -0.816) 1.717 18.897 ( 0.000 -1.511 0.816) 1.717 19.133 ( 0.000 -0.153 -1.109) 1.119 19.133 ( 0.000 -0.153 1.109) 1.119 19.144 ( 0.000 -1.297 -1.170) 1.746 19.144 ( 0.000 -1.297 1.170) 1.746 19.220 ( 0.000 0.829 -0.147) 0.842 19.220 ( 0.000 0.829 0.147) 0.842 19.243 ( 0.000 -1.472 -0.651) 1.609 19.243 ( 0.000 -1.472 0.651) 1.609 19.393 ( 0.000 0.505 -0.262) 0.569 19.393 ( 0.000 0.505 0.262) 0.569 19.398 ( 0.000 0.077 -0.306) 0.315 19.398 ( 0.000 0.077 0.306) 0.315 19.553 ( 0.000 1.925 -0.769) 2.073 19.553 ( 0.000 1.925 0.769) 2.073 19.582 ( 0.000 -0.892 -0.820) 1.212 19.582 ( 0.000 -0.892 0.820) 1.212 25.474 ( 0.000 -0.102 -0.078) 0.128 25.474 ( 0.000 -0.102 0.078) 0.128 25.474 ( 0.000 -0.154 -0.026) 0.156 25.474 ( 0.000 -0.154 0.026) 0.156 25.515 ( 0.000 0.350 -0.115) 0.368 25.515 ( 0.000 0.350 0.115) 0.368 25.523 ( 0.000 -0.431 -0.354) 0.558 25.523 ( 0.000 -0.431 0.354) 0.558 27.032 ( 0.000 7.836 -4.164) 8.874 27.032 ( 0.000 7.836 4.164) 8.874 27.182 ( 0.000 -5.861 -5.681) 8.162 27.182 ( 0.000 -5.861 5.681) 8.162 27.247 ( 0.000 7.317 -6.154) 9.561 27.247 ( 0.000 7.317 6.154) 9.561 27.315 ( 0.000 0.247 -7.434) 7.439 27.315 ( 0.000 0.247 7.434) 7.439 27.630 ( 0.000 9.042 -1.570) 9.178 27.630 ( 0.000 9.042 1.570) 9.178 27.793 ( 0.000 -3.179 -3.461) 4.700 27.793 ( 0.000 -3.179 3.461) 4.700 27.926 ( 0.000 -3.318 -4.811) 5.844 27.926 ( 0.000 -3.318 4.811) 5.844 27.960 ( 0.000 -3.283 -12.726) 13.142 27.960 ( 0.000 -3.283 12.726) 13.142 28.302 ( 0.000 10.059 -10.835) 14.784 28.302 ( 0.000 10.059 10.835) 14.784 28.506 ( 0.000 -8.421 -11.908) 14.585 28.506 ( 0.000 -8.421 11.908) 14.585 28.891 ( 0.000 -1.838 -4.704) 5.051 28.891 ( 0.000 -1.838 4.704) 5.051 28.942 ( 0.000 -6.843 -4.738) 8.323 28.942 ( 0.000 -6.843 4.738) 8.323 ======================= Grid point 135 (46/48) ======================= q-point: ( 0.17 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 6.210 8.046 -5.989) 11.797 1.725 ( 6.210 8.046 5.990) 11.797 1.826 ( 9.485 5.160 -2.327) 11.046 1.826 ( 9.485 5.160 2.327) 11.046 2.022 ( 8.511 1.841 -5.036) 10.059 2.022 ( 8.511 1.841 5.036) 10.059 2.085 ( 5.230 -4.494 -5.113) 8.584 2.085 ( 5.230 -4.494 5.113) 8.584 2.226 ( 5.156 -0.240 -5.368) 7.447 2.226 ( 5.156 -0.240 5.368) 7.447 2.371 ( -0.506 -10.608 -2.328) 10.872 2.371 ( -0.506 -10.608 2.328) 10.872 2.650 ( -5.988 9.163 -3.010) 11.353 2.650 ( -5.988 9.163 3.010) 11.353 2.790 ( -6.672 -2.808 -4.088) 8.313 2.790 ( -6.672 -2.808 4.088) 8.313 2.908 ( 2.203 7.634 -2.350) 8.286 2.908 ( 2.203 7.634 2.350) 8.286 3.028 ( 2.195 1.619 -3.952) 4.802 3.028 ( 2.195 1.619 3.952) 4.802 3.112 ( 0.992 2.060 -4.081) 4.678 3.112 ( 0.992 2.060 4.081) 4.678 3.229 ( -4.412 -3.221 -1.970) 5.807 3.229 ( -4.412 -3.221 1.970) 5.807 3.521 ( 2.735 2.212 -5.714) 6.710 3.521 ( 2.735 2.212 5.714) 6.710 3.578 ( -0.799 -3.329 -6.351) 7.215 3.578 ( -0.799 -3.329 6.351) 7.215 3.795 ( -3.261 2.701 -3.331) 5.387 3.795 ( -3.261 2.701 3.331) 5.387 3.878 ( 1.280 -3.130 -4.784) 5.859 3.878 ( 1.280 -3.130 4.784) 5.859 4.121 ( 0.990 4.694 -4.806) 6.791 4.121 ( 0.990 4.694 4.806) 6.791 4.147 ( -0.786 4.565 -2.833) 5.430 4.147 ( -0.786 4.565 2.833) 5.430 4.278 ( 3.054 1.683 -10.514) 11.077 4.278 ( 3.054 1.683 10.514) 11.077 4.341 ( 2.930 -3.500 -6.070) 7.594 4.341 ( 2.930 -3.500 6.070) 7.594 4.433 ( 6.373 4.766 -10.559) 13.222 4.433 ( 6.373 4.766 10.559) 13.222 4.563 ( 1.210 -4.678 -6.864) 8.394 4.563 ( 1.210 -4.678 6.864) 8.394 4.754 ( -1.806 -0.208 -1.173) 2.163 4.754 ( -1.806 -0.208 1.173) 2.163 4.773 ( 0.526 0.543 -3.036) 3.129 4.773 ( 0.526 0.543 3.036) 3.129 4.956 ( -1.830 4.643 -9.780) 10.980 4.956 ( -1.830 4.643 9.780) 10.980 5.116 ( 0.898 -9.351 -12.774) 15.856 5.116 ( 0.898 -9.351 12.774) 15.856 5.179 ( -5.094 1.570 -5.892) 7.945 5.179 ( -5.094 1.570 5.892) 7.945 5.260 ( -2.287 -4.264 -9.728) 10.865 5.260 ( -2.287 -4.264 9.728) 10.865 5.385 ( -0.838 2.857 -3.446) 4.555 5.385 ( -0.838 2.857 3.446) 4.555 5.437 ( 0.755 -2.567 -1.490) 3.062 5.437 ( 0.755 -2.567 1.490) 3.062 5.574 ( -2.942 3.813 -3.513) 5.962 5.574 ( -2.942 3.813 3.513) 5.962 5.691 ( 0.010 -2.573 -5.700) 6.254 5.691 ( 0.010 -2.573 5.700) 6.254 5.704 ( 1.501 0.932 -3.596) 4.007 5.704 ( 1.501 0.932 3.596) 4.007 5.787 ( 1.206 -3.516 -2.469) 4.462 5.787 ( 1.206 -3.516 2.469) 4.462 6.083 ( -5.836 0.499 -4.247) 7.235 6.083 ( -5.836 0.499 4.247) 7.235 6.119 ( -5.236 -2.990 -4.279) 7.393 6.119 ( -5.236 -2.990 4.279) 7.393 6.333 ( -2.097 2.772 -2.944) 4.555 6.333 ( -2.097 2.772 2.944) 4.555 6.401 ( -0.882 -3.098 -3.287) 4.602 6.401 ( -0.882 -3.098 3.287) 4.602 6.546 ( -0.403 -0.839 -5.314) 5.395 6.546 ( -0.403 -0.839 5.314) 5.395 6.566 ( -3.331 -1.538 -3.396) 4.999 6.566 ( -3.331 -1.538 3.396) 4.999 6.711 ( -5.039 1.733 -2.146) 5.745 6.711 ( -5.039 1.733 2.146) 5.745 6.752 ( -7.266 -1.289 -1.129) 7.465 6.752 ( -7.266 -1.289 1.129) 7.465 6.836 ( -2.210 2.597 -2.945) 4.506 6.836 ( -2.210 2.597 2.945) 4.506 6.892 ( -5.880 2.727 -3.797) 7.512 6.892 ( -5.880 2.727 3.797) 7.512 6.922 ( 0.816 -1.617 -2.805) 3.339 6.922 ( 0.816 -1.617 2.805) 3.339 6.993 ( -2.727 -2.563 -4.156) 5.593 6.993 ( -2.727 -2.563 4.156) 5.593 7.129 ( -3.845 1.217 -2.633) 4.816 7.129 ( -3.845 1.217 2.633) 4.816 7.168 ( -3.142 -2.903 -2.046) 4.742 7.168 ( -3.142 -2.903 2.046) 4.742 7.415 ( 3.566 1.107 -0.382) 3.753 7.415 ( 3.566 1.107 0.382) 3.753 7.431 ( 6.521 -0.417 -0.833) 6.587 7.431 ( 6.521 -0.417 0.833) 6.587 7.628 ( 4.314 1.492 -1.045) 4.683 7.628 ( 4.314 1.492 1.045) 4.683 7.658 ( 4.558 -1.164 -1.126) 4.837 7.658 ( 4.558 -1.164 1.126) 4.837 7.888 ( 4.621 4.276 -5.907) 8.633 7.888 ( 4.621 4.276 5.907) 8.633 7.938 ( 5.506 0.814 -7.573) 9.398 7.938 ( 5.506 0.814 7.573) 9.398 8.095 ( 2.098 2.703 -0.999) 3.564 8.095 ( 2.098 2.703 0.999) 3.564 8.148 ( 3.892 -1.823 -0.981) 4.409 8.148 ( 3.892 -1.823 0.981) 4.409 8.286 ( 4.541 3.393 -2.868) 6.353 8.286 ( 4.541 3.393 2.868) 6.353 8.346 ( 6.481 -1.488 -0.922) 6.713 8.346 ( 6.481 -1.488 0.922) 6.713 8.715 ( -3.778 10.482 -7.423) 13.388 8.715 ( -3.778 10.482 7.423) 13.388 8.981 ( -5.754 -14.450 -10.262) 18.634 8.981 ( -5.754 -14.450 10.262) 18.634 15.048 ( -0.008 0.482 -0.887) 1.010 15.048 ( -0.008 0.482 0.887) 1.010 15.055 ( 0.172 -0.309 -0.520) 0.629 15.055 ( 0.172 -0.309 0.520) 0.629 15.084 ( -0.177 0.803 -0.718) 1.092 15.084 ( -0.177 0.803 0.718) 1.092 15.110 ( -0.493 -1.480 -0.979) 1.842 15.110 ( -0.493 -1.480 0.979) 1.842 15.297 ( -0.360 1.022 -0.301) 1.124 15.297 ( -0.360 1.022 0.301) 1.124 15.316 ( -0.688 -0.519 -0.140) 0.873 15.316 ( -0.688 -0.519 0.140) 0.873 15.325 ( -0.590 0.610 -1.408) 1.644 15.325 ( -0.590 0.610 1.408) 1.644 15.349 ( -0.893 -1.576 -1.722) 2.499 15.349 ( -0.893 -1.576 1.722) 2.499 18.767 ( 0.775 0.372 -1.365) 1.613 18.767 ( 0.775 0.372 1.365) 1.613 18.777 ( 1.059 -0.552 -1.444) 1.874 18.777 ( 1.059 -0.552 1.444) 1.874 18.872 ( 0.306 1.032 -0.468) 1.174 18.872 ( 0.306 1.032 0.468) 1.174 18.898 ( 0.076 -1.379 -0.807) 1.600 18.898 ( 0.076 -1.379 0.807) 1.600 19.135 ( 0.279 -0.092 -1.027) 1.069 19.135 ( 0.279 -0.092 1.027) 1.069 19.146 ( 0.254 -1.203 -1.062) 1.625 19.146 ( 0.254 -1.203 1.062) 1.625 19.213 ( -0.649 0.669 -0.139) 0.942 19.213 ( -0.649 0.669 0.139) 0.942 19.234 ( -0.853 -1.425 -0.641) 1.780 19.234 ( -0.853 -1.425 0.641) 1.780 19.402 ( 0.988 0.857 -0.303) 1.343 19.402 ( 0.988 0.857 0.303) 1.343 19.412 ( 1.220 -0.117 -0.451) 1.306 19.412 ( 1.220 -0.117 0.451) 1.306 19.551 ( -0.251 1.826 -0.633) 1.949 19.551 ( -0.251 1.826 0.633) 1.949 19.580 ( -0.341 -0.943 -0.572) 1.155 19.580 ( -0.341 -0.943 0.572) 1.155 25.477 ( 0.297 -0.076 -0.029) 0.308 25.477 ( 0.297 -0.076 0.029) 0.308 25.478 ( 0.369 -0.209 -0.043) 0.426 25.478 ( 0.369 -0.209 0.043) 0.426 25.513 ( -0.145 0.334 -0.109) 0.380 25.513 ( -0.145 0.334 0.109) 0.380 25.522 ( -0.198 -0.404 -0.317) 0.550 25.522 ( -0.198 -0.404 0.317) 0.550 27.051 ( 2.117 7.173 -3.108) 8.099 27.051 ( 2.117 7.173 3.108) 8.099 27.184 ( 0.439 -2.966 -4.440) 5.357 27.184 ( 0.439 -2.966 4.440) 5.357 27.258 ( 0.804 4.514 -6.114) 7.642 27.258 ( 0.804 4.514 6.114) 7.642 27.332 ( 1.793 -0.084 -6.415) 6.661 27.332 ( 1.793 -0.084 6.415) 6.661 27.571 ( -4.996 8.419 -3.079) 10.262 27.571 ( -4.996 8.419 3.079) 10.262 27.728 ( -6.170 -3.010 -1.963) 7.140 27.728 ( -6.170 -3.010 1.963) 7.140 27.810 ( -8.117 2.158 -6.438) 10.582 27.810 ( -8.117 2.158 6.438) 10.582 27.921 ( -6.005 -5.292 -8.820) 11.911 27.921 ( -6.005 -5.292 8.820) 11.911 28.383 ( 7.324 7.115 -7.168) 12.476 28.383 ( 7.324 7.115 7.168) 12.476 28.550 ( 4.004 -7.259 -7.824) 11.399 28.550 ( 4.004 -7.259 7.824) 11.399 28.914 ( 2.040 -1.462 -3.028) 3.933 28.914 ( 2.040 -1.462 3.028) 3.933 28.978 ( 2.643 -7.473 -3.545) 8.683 28.978 ( 2.643 -7.473 3.545) 8.683 ======================= Grid point 137 (47/48) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 9.235 7.301 -0.682) 11.792 1.883 ( 9.235 7.301 0.682) 11.792 1.995 ( 6.447 6.477 -5.641) 10.740 1.995 ( 6.447 6.477 5.641) 10.740 2.095 ( 2.809 -1.963 -3.650) 5.007 2.095 ( 2.809 -1.963 3.650) 5.007 2.243 ( -0.218 -7.127 -5.288) 8.877 2.243 ( -0.218 -7.127 5.288) 8.877 2.330 ( 4.992 2.805 -2.046) 6.080 2.330 ( 4.991 2.805 2.046) 6.080 2.412 ( 6.122 -3.871 -3.821) 8.189 2.412 ( 6.122 -3.871 3.821) 8.189 2.580 ( 0.607 4.845 -4.238) 6.465 2.580 ( 0.607 4.845 4.238) 6.465 2.667 ( -3.784 -1.354 -2.855) 4.930 2.667 ( -3.784 -1.354 2.855) 4.930 2.945 ( 0.969 9.317 -3.808) 10.112 2.945 ( 0.969 9.317 3.808) 10.112 3.045 ( -1.447 7.091 -2.642) 7.704 3.045 ( -1.447 7.091 2.642) 7.704 3.113 ( 1.668 -5.465 -2.446) 6.215 3.113 ( 1.668 -5.465 2.446) 6.215 3.209 ( 2.547 -4.806 -3.775) 6.621 3.209 ( 2.547 -4.806 3.775) 6.621 3.502 ( -5.476 0.338 -2.499) 6.028 3.502 ( -5.476 0.338 2.499) 6.028 3.546 ( -4.086 -2.436 -2.942) 5.593 3.546 ( -4.086 -2.436 2.942) 5.593 3.774 ( 1.915 5.511 -2.599) 6.387 3.774 ( 1.915 5.511 2.599) 6.387 3.868 ( -1.853 -1.436 -3.649) 4.337 3.868 ( -1.853 -1.436 3.649) 4.337 4.141 ( 1.722 4.136 -0.934) 4.576 4.141 ( 1.722 4.136 0.934) 4.576 4.184 ( 4.564 -0.712 -3.111) 5.569 4.184 ( 4.564 -0.712 3.111) 5.569 4.305 ( -1.481 1.589 -3.424) 4.055 4.305 ( -1.481 1.589 3.424) 4.055 4.373 ( -0.930 -3.969 -4.162) 5.826 4.373 ( -0.930 -3.969 4.162) 5.826 4.520 ( 1.671 3.124 -5.621) 6.645 4.520 ( 1.671 3.124 5.621) 6.645 4.593 ( 2.596 -1.344 -0.698) 3.006 4.593 ( 2.596 -1.344 0.698) 3.006 4.747 ( 2.497 3.519 -9.242) 10.200 4.747 ( 2.497 3.519 9.242) 10.200 4.829 ( 1.785 -1.196 -4.362) 4.862 4.829 ( 1.785 -1.196 4.362) 4.862 4.934 ( 1.036 3.506 -7.085) 7.972 4.934 ( 1.036 3.506 7.085) 7.972 5.045 ( -3.131 -2.833 -2.348) 4.831 5.045 ( -3.131 -2.833 2.348) 4.831 5.183 ( 0.933 -2.878 -11.448) 11.841 5.183 ( 0.933 -2.878 11.448) 11.841 5.224 ( -1.161 -4.461 -6.068) 7.620 5.224 ( -1.161 -4.461 6.068) 7.620 5.354 ( -0.677 3.744 -2.180) 4.385 5.354 ( -0.677 3.744 2.180) 4.385 5.454 ( 0.116 -4.356 -1.558) 4.628 5.454 ( 0.116 -4.356 1.558) 4.628 5.527 ( -1.570 2.047 -4.796) 5.446 5.527 ( -1.570 2.047 4.796) 5.446 5.611 ( -4.675 -5.341 -2.425) 7.500 5.611 ( -4.675 -5.341 2.425) 7.500 5.747 ( 1.366 4.122 -5.877) 7.308 5.747 ( 1.366 4.122 5.877) 7.308 5.835 ( 1.705 -3.257 -4.618) 5.902 5.835 ( 1.705 -3.257 4.618) 5.902 5.959 ( -6.166 1.924 -3.499) 7.346 5.959 ( -6.166 1.924 3.499) 7.346 6.007 ( -5.303 -2.295 -5.381) 7.896 6.007 ( -5.303 -2.295 5.381) 7.896 6.288 ( -2.513 0.438 -2.536) 3.597 6.288 ( -2.513 0.438 2.536) 3.597 6.329 ( -4.667 -0.927 -0.797) 4.825 6.329 ( -4.667 -0.927 0.797) 4.825 6.443 ( -5.480 -0.758 -1.741) 5.799 6.443 ( -5.480 -0.758 1.741) 5.799 6.483 ( -6.616 -3.656 -2.305) 7.902 6.483 ( -6.616 -3.656 2.305) 7.902 6.679 ( 2.094 1.744 -3.495) 4.432 6.679 ( 2.094 1.744 3.495) 4.432 6.710 ( 1.593 -0.302 -3.385) 3.754 6.710 ( 1.593 -0.302 3.385) 3.754 6.792 ( -1.606 1.401 -3.306) 3.933 6.792 ( -1.606 1.401 3.306) 3.933 6.830 ( -2.130 -1.280 -3.305) 4.135 6.830 ( -2.130 -1.280 3.305) 4.135 6.920 ( -0.386 2.418 -2.207) 3.296 6.920 ( -0.386 2.418 2.207) 3.296 6.971 ( -0.456 -1.062 -4.124) 4.283 6.971 ( -0.456 -1.062 4.124) 4.283 7.069 ( -1.939 0.456 -2.987) 3.590 7.069 ( -1.939 0.456 2.987) 3.590 7.105 ( -2.618 -3.145 -1.777) 4.461 7.105 ( -2.618 -3.145 1.777) 4.461 7.482 ( 3.693 2.560 -2.788) 5.288 7.482 ( 3.693 2.560 2.788) 5.288 7.527 ( 3.833 -1.715 -1.409) 4.430 7.527 ( 3.833 -1.715 1.409) 4.430 7.656 ( -1.221 1.628 -2.067) 2.901 7.656 ( -1.221 1.628 2.067) 2.901 7.694 ( -1.087 -1.852 -2.759) 3.497 7.694 ( -1.087 -1.852 2.759) 3.497 8.004 ( 6.223 5.584 -3.468) 9.051 8.004 ( 6.223 5.584 3.468) 9.051 8.066 ( 5.956 1.234 -5.114) 7.947 8.066 ( 5.956 1.234 5.114) 7.947 8.142 ( 2.013 2.996 -1.991) 4.122 8.142 ( 2.013 2.996 1.991) 4.122 8.204 ( 1.346 -1.634 -2.522) 3.293 8.204 ( 1.346 -1.634 2.522) 3.293 8.413 ( 6.995 4.738 -7.752) 11.466 8.413 ( 6.995 4.738 7.752) 11.466 8.475 ( 5.741 -0.023 -7.577) 9.506 8.475 ( 5.741 -0.023 7.577) 9.506 8.644 ( -2.092 4.242 -6.766) 8.255 8.644 ( -2.092 4.242 6.766) 8.255 8.844 ( -7.772 -12.509 -10.284) 17.962 8.844 ( -7.772 -12.509 10.284) 17.962 15.050 ( 0.206 0.477 -0.561) 0.765 15.050 ( 0.206 0.477 0.561) 0.765 15.058 ( 0.045 -0.321 -0.339) 0.469 15.058 ( 0.045 -0.321 0.339) 0.469 15.081 ( -0.116 0.399 -0.185) 0.455 15.081 ( -0.116 0.399 0.185) 0.455 15.097 ( -0.756 -1.070 -0.845) 1.559 15.097 ( -0.756 -1.070 0.845) 1.559 15.292 ( -0.085 0.709 -0.297) 0.773 15.292 ( -0.085 0.709 0.297) 0.773 15.305 ( -0.311 -0.164 -0.297) 0.461 15.305 ( -0.311 -0.164 0.297) 0.461 15.311 ( -0.694 0.184 -0.793) 1.070 15.311 ( -0.694 0.184 0.793) 1.070 15.329 ( -1.085 -1.242 -1.216) 2.049 15.329 ( -1.085 -1.242 1.216) 2.049 18.786 ( 1.039 0.389 -0.942) 1.456 18.786 ( 1.039 0.389 0.942) 1.456 18.797 ( 0.764 -0.561 -0.994) 1.373 18.797 ( 0.764 -0.561 0.994) 1.373 18.880 ( 0.507 0.634 -0.292) 0.863 18.880 ( 0.507 0.634 0.292) 0.863 18.898 ( -0.163 -0.989 -0.711) 1.229 18.898 ( -0.163 -0.989 0.711) 1.229 19.144 ( 0.613 0.022 -0.826) 1.028 19.144 ( 0.613 0.022 0.826) 1.028 19.153 ( 0.436 -0.862 -0.742) 1.218 19.153 ( 0.436 -0.862 0.742) 1.218 19.199 ( -0.726 0.106 -0.169) 0.753 19.199 ( -0.726 0.106 0.169) 0.753 19.213 ( -1.180 -1.319 -0.703) 1.904 19.213 ( -1.180 -1.319 0.703) 1.904 19.428 ( 1.462 1.097 -0.527) 1.902 19.428 ( 1.462 1.097 0.527) 1.902 19.438 ( 1.231 0.128 -0.410) 1.304 19.438 ( 1.231 0.128 0.410) 1.304 19.544 ( -0.358 1.301 -0.455) 1.424 19.544 ( -0.358 1.301 0.455) 1.424 19.566 ( -1.028 -0.814 -0.216) 1.329 19.566 ( -1.028 -0.814 0.216) 1.329 25.484 ( 0.438 -0.030 -0.063) 0.444 25.484 ( 0.438 -0.030 0.063) 0.444 25.487 ( 0.468 -0.280 -0.098) 0.554 25.487 ( 0.468 -0.280 0.098) 0.554 25.509 ( -0.214 0.254 -0.101) 0.347 25.509 ( -0.214 0.254 0.101) 0.347 25.516 ( -0.371 -0.333 -0.220) 0.545 25.516 ( -0.371 -0.333 0.220) 0.545 27.115 ( 4.368 5.598 -1.411) 7.240 27.115 ( 4.368 5.598 1.411) 7.240 27.202 ( 1.241 1.356 -3.039) 3.552 27.202 ( 1.241 1.356 3.039) 3.552 27.270 ( 0.516 2.239 -3.580) 4.254 27.270 ( 0.516 2.239 3.580) 4.254 27.365 ( 0.194 -3.178 -3.155) 4.482 27.365 ( 0.194 -3.178 3.155) 4.482 27.488 ( -2.259 7.865 -4.588) 9.382 27.488 ( -2.259 7.865 4.588) 9.382 27.596 ( -6.141 3.285 -2.187) 7.300 27.596 ( -6.141 3.285 2.187) 7.300 27.661 ( -6.107 0.436 -6.769) 9.128 27.661 ( -6.107 0.436 6.769) 9.128 27.773 ( -8.135 -5.210 -6.510) 11.649 27.773 ( -8.135 -5.210 6.510) 11.649 28.533 ( 7.140 3.629 -3.273) 8.652 28.533 ( 7.140 3.629 3.273) 8.652 28.626 ( 2.876 -3.886 -2.351) 5.376 28.626 ( 2.876 -3.886 2.351) 5.376 28.955 ( 2.023 -2.673 -1.685) 3.752 28.955 ( 2.023 -2.673 1.685) 3.752 29.010 ( 0.330 -7.536 -2.403) 7.916 29.010 ( 0.330 -7.536 2.403) 7.916 ======================= Grid point 139 (48/48) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -2.971 4.089 -5.571) 7.522 2.034 ( 2.066 4.089 -5.526) 7.178 2.034 ( -2.066 4.089 5.526) 7.178 2.034 ( 2.971 4.089 5.571) 7.522 2.152 ( -3.602 0.307 -5.966) 6.976 2.152 ( 2.463 0.307 -5.901) 6.401 2.152 ( -2.463 0.307 5.901) 6.401 2.152 ( 3.603 0.307 5.966) 6.976 2.415 ( -3.427 -0.803 -1.500) 3.826 2.415 ( -2.124 -0.803 -1.202) 2.569 2.415 ( 2.124 -0.803 1.202) 2.569 2.415 ( 3.428 -0.803 1.500) 3.826 2.646 ( -1.983 -1.381 -0.374) 2.445 2.646 ( -1.649 -1.381 -0.069) 2.152 2.646 ( 1.649 -1.381 0.069) 2.152 2.646 ( 1.983 -1.381 0.374) 2.445 2.981 ( -2.821 11.872 -2.879) 12.538 2.981 ( 1.192 11.872 -2.750) 12.245 2.981 ( -1.192 11.872 2.750) 12.245 2.981 ( 2.821 11.872 2.879) 12.538 3.220 ( -6.046 -8.292 -4.425) 11.176 3.220 ( 5.761 -8.292 -4.382) 11.007 3.220 ( -5.761 -8.292 4.382) 11.007 3.220 ( 6.046 -8.292 4.425) 11.176 3.432 ( -3.317 0.136 -4.187) 5.344 3.432 ( 1.862 0.136 -4.086) 4.493 3.432 ( -1.862 0.136 4.086) 4.493 3.432 ( 3.317 0.136 4.187) 5.344 3.829 ( -2.509 1.755 -2.306) 3.833 3.829 ( 2.505 1.755 -2.306) 3.831 3.829 ( -2.505 1.755 2.306) 3.830 3.829 ( 2.509 1.755 2.306) 3.833 4.204 ( -3.245 2.858 -1.737) 4.660 4.204 ( -0.989 2.858 -1.398) 3.332 4.204 ( 0.989 2.858 1.398) 3.332 4.204 ( 3.245 2.858 1.737) 4.660 4.311 ( -3.882 -3.950 -1.541) 5.749 4.311 ( 0.136 -3.950 -0.837) 4.040 4.311 ( -0.136 -3.950 0.837) 4.040 4.311 ( 3.882 -3.950 1.541) 5.749 4.587 ( -3.070 4.594 -3.713) 6.657 4.587 ( 0.765 4.594 -3.578) 5.873 4.587 ( -0.765 4.594 3.578) 5.873 4.587 ( 3.070 4.594 3.713) 6.657 4.782 ( -3.252 -4.257 -1.701) 5.620 4.782 ( -0.221 -4.257 -1.313) 4.460 4.782 ( 0.221 -4.257 1.313) 4.460 4.782 ( 3.252 -4.257 1.701) 5.620 5.037 ( -4.851 5.642 -13.095) 15.062 5.037 ( 4.393 5.642 -13.077) 14.905 5.037 ( -4.393 5.642 13.077) 14.905 5.037 ( 4.851 5.642 13.095) 15.062 5.168 ( -2.167 -3.933 -9.002) 10.060 5.168 ( 1.716 -3.932 -8.991) 9.963 5.168 ( -1.716 -3.932 8.991) 9.963 5.168 ( 2.167 -3.932 9.002) 10.060 5.408 ( -4.050 1.255 -4.058) 5.869 5.408 ( 4.015 1.255 -4.054) 5.842 5.408 ( -4.015 1.255 4.054) 5.842 5.408 ( 4.050 1.255 4.058) 5.869 5.546 ( -2.969 -5.546 -6.772) 9.243 5.546 ( 2.912 -5.546 -6.769) 9.223 5.546 ( -2.912 -5.546 6.769) 9.223 5.546 ( 2.969 -5.546 6.772) 9.243 5.789 ( -3.798 2.364 -3.228) 5.516 5.789 ( 1.514 2.364 -3.012) 4.117 5.789 ( -1.514 2.364 3.012) 4.117 5.789 ( 3.798 2.364 3.228) 5.516 5.924 ( -2.726 -1.292 -4.107) 5.096 5.924 ( 2.386 -1.292 -4.084) 4.903 5.924 ( -2.386 -1.292 4.084) 4.903 5.924 ( 2.726 -1.292 4.107) 5.096 6.280 ( -1.656 -1.188 -1.172) 2.351 6.280 ( 1.116 -1.188 -1.098) 1.965 6.280 ( -1.116 -1.188 1.098) 1.965 6.280 ( 1.656 -1.188 1.172) 2.351 6.390 ( -0.814 -2.386 -3.024) 3.937 6.390 ( 0.530 -2.386 -3.017) 3.883 6.390 ( -0.530 -2.386 3.017) 3.883 6.390 ( 0.814 -2.386 3.024) 3.937 6.735 ( -0.084 2.738 -3.165) 4.185 6.735 ( 0.049 2.738 -3.165) 4.185 6.735 ( -0.049 2.738 3.165) 4.185 6.735 ( 0.084 2.738 3.165) 4.185 6.777 ( -2.131 -0.618 -3.381) 4.044 6.777 ( 2.089 -0.618 -3.378) 4.020 6.777 ( -2.089 -0.618 3.378) 4.020 6.777 ( 2.131 -0.618 3.381) 4.044 6.944 ( -1.775 0.041 -2.351) 2.946 6.944 ( 1.268 0.041 -2.314) 2.639 6.944 ( -1.268 0.041 2.314) 2.639 6.944 ( 1.775 0.041 2.351) 2.946 7.065 ( -0.873 -1.656 -0.980) 2.113 7.065 ( -0.015 -1.656 -0.936) 1.902 7.065 ( 0.015 -1.656 0.936) 1.902 7.065 ( 0.873 -1.656 0.980) 2.113 7.553 ( -2.490 1.828 -3.396) 4.591 7.553 ( 2.304 1.828 -3.382) 4.482 7.553 ( -2.304 1.828 3.382) 4.482 7.553 ( 2.490 1.828 3.396) 4.591 7.647 ( -1.838 -1.372 -4.382) 4.946 7.647 ( 1.437 -1.372 -4.365) 4.796 7.647 ( -1.437 -1.372 4.365) 4.796 7.647 ( 1.838 -1.372 4.382) 4.946 8.097 ( -2.306 6.287 -2.802) 7.259 8.097 ( 1.331 6.287 -2.731) 6.983 8.097 ( -1.331 6.287 2.731) 6.983 8.097 ( 2.306 6.287 2.802) 7.259 8.189 ( -2.503 -1.880 -2.911) 4.275 8.189 ( 2.019 -1.880 -2.869) 3.980 8.189 ( -2.019 -1.880 2.869) 3.980 8.189 ( 2.503 -1.880 2.911) 4.275 8.507 ( -2.078 7.381 -8.918) 11.761 8.507 ( 1.968 7.381 -8.915) 11.740 8.507 ( -1.968 7.381 8.915) 11.740 8.507 ( 2.078 7.381 8.918) 11.761 8.698 ( -6.402 -9.439 -10.767) 15.684 8.698 ( 5.952 -9.439 -10.738) 15.486 8.698 ( -5.952 -9.439 10.738) 15.486 8.698 ( 6.402 -9.439 10.767) 15.685 15.055 ( -0.286 0.209 -0.308) 0.470 15.055 ( 0.238 0.209 -0.304) 0.439 15.055 ( -0.238 0.209 0.304) 0.439 15.055 ( 0.286 0.209 0.308) 0.470 15.084 ( -0.415 -0.471 -0.838) 1.047 15.084 ( 0.337 -0.471 -0.835) 1.016 15.084 ( -0.337 -0.471 0.835) 1.016 15.084 ( 0.415 -0.471 0.838) 1.047 15.296 ( -0.444 0.575 -0.584) 0.932 15.296 ( 0.351 0.575 -0.577) 0.887 15.296 ( -0.351 0.575 0.577) 0.887 15.296 ( 0.444 0.575 0.584) 0.932 15.311 ( -0.578 -0.857 -0.597) 1.194 15.311 ( 0.395 -0.857 -0.581) 1.108 15.311 ( -0.395 -0.857 0.581) 1.108 15.311 ( 0.578 -0.857 0.597) 1.194 18.801 ( -0.282 -0.009 -0.163) 0.326 18.801 ( -0.051 -0.009 -0.135) 0.144 18.801 ( 0.051 -0.009 0.135) 0.144 18.801 ( 0.282 -0.009 0.163) 0.326 18.891 ( -0.512 -0.238 -0.310) 0.645 18.891 ( 0.304 -0.238 -0.278) 0.476 18.891 ( -0.304 -0.238 0.278) 0.476 18.891 ( 0.512 -0.238 0.310) 0.645 19.155 ( -0.192 -0.087 -0.707) 0.738 19.155 ( 0.076 -0.087 -0.704) 0.714 19.155 ( -0.076 -0.087 0.704) 0.714 19.155 ( 0.192 -0.087 0.707) 0.738 19.195 ( -0.520 -0.961 -0.615) 1.254 19.195 ( 0.510 -0.961 -0.614) 1.249 19.195 ( -0.510 -0.961 0.614) 1.249 19.195 ( 0.520 -0.961 0.615) 1.254 19.448 ( -0.335 0.881 -0.253) 0.976 19.448 ( 0.127 0.881 -0.231) 0.920 19.448 ( -0.127 0.881 0.231) 0.920 19.448 ( 0.335 0.881 0.253) 0.976 19.546 ( -0.724 0.011 -0.202) 0.752 19.546 ( -0.396 0.011 0.011) 0.396 19.546 ( 0.396 0.011 -0.011) 0.396 19.546 ( 0.724 0.011 0.202) 0.752 25.491 ( -0.132 -0.104 -0.091) 0.191 25.491 ( 0.050 -0.104 -0.081) 0.141 25.491 ( -0.050 -0.104 0.081) 0.141 25.491 ( 0.132 -0.104 0.091) 0.191 25.509 ( -0.250 -0.099 -0.056) 0.275 25.509 ( -0.232 -0.099 0.047) 0.257 25.509 ( 0.232 -0.099 -0.047) 0.257 25.509 ( 0.250 -0.099 0.056) 0.275 27.196 ( -2.420 4.877 -1.965) 5.789 27.196 ( 0.883 4.877 -1.816) 5.279 27.196 ( -0.883 4.877 1.816) 5.279 27.196 ( 2.420 4.877 1.965) 5.789 27.308 ( -3.897 -1.640 -2.677) 5.004 27.308 ( 2.688 -1.640 -2.506) 4.025 27.308 ( -2.688 -1.640 2.506) 4.025 27.308 ( 3.897 -1.640 2.677) 5.004 27.506 ( -3.281 7.279 -5.179) 9.517 27.506 ( 3.153 7.279 -5.170) 9.469 27.506 ( -3.153 7.279 5.170) 9.469 27.506 ( 3.281 7.279 5.179) 9.517 27.642 ( -3.658 -4.213 -5.275) 7.678 27.642 ( 2.646 -4.213 -5.207) 7.202 27.642 ( -2.646 -4.213 5.207) 7.202 27.642 ( 3.658 -4.213 5.275) 7.678 28.632 ( -2.406 0.431 -1.630) 2.938 28.632 ( 1.372 0.431 -1.491) 2.071 28.632 ( -1.372 0.431 1.491) 2.071 28.632 ( 2.406 0.431 1.630) 2.938 28.993 ( -1.757 -5.761 -0.988) 6.104 28.993 ( 1.369 -5.761 -0.917) 5.992 28.993 ( -1.369 -5.761 0.917) 5.992 28.993 ( 1.757 -5.761 0.988) 6.104 =================== 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 3/34560 10.0 103.246 83.583 127.018 0.000 0.000 -0.000 3/34560 20.0 15.321 12.755 15.817 0.000 0.000 -0.000 3/34560 30.0 6.127 5.374 5.987 0.000 0.000 -0.000 3/34560 40.0 3.488 3.182 3.359 0.000 0.000 -0.000 3/34560 50.0 2.361 2.208 2.275 0.000 0.000 -0.000 3/34560 60.0 1.770 1.679 1.712 0.000 0.000 -0.000 3/34560 70.0 1.416 1.353 1.376 0.000 0.000 -0.000 3/34560 80.0 1.184 1.135 1.154 0.000 0.000 -0.000 3/34560 90.0 1.021 0.979 0.998 0.000 0.000 -0.000 3/34560 100.0 0.901 0.863 0.881 0.000 0.000 -0.000 3/34560 110.0 0.808 0.773 0.791 0.000 0.000 -0.000 3/34560 120.0 0.734 0.701 0.719 0.000 0.000 -0.000 3/34560 130.0 0.674 0.642 0.660 0.000 0.000 -0.000 3/34560 140.0 0.623 0.593 0.610 0.000 0.000 -0.000 3/34560 150.0 0.580 0.551 0.568 0.000 0.000 -0.000 3/34560 160.0 0.544 0.516 0.532 0.000 0.000 -0.000 3/34560 170.0 0.512 0.485 0.501 0.000 0.000 -0.000 3/34560 180.0 0.484 0.458 0.473 0.000 0.000 -0.000 3/34560 190.0 0.459 0.435 0.449 0.000 0.000 -0.000 3/34560 200.0 0.437 0.414 0.427 0.000 0.000 -0.000 3/34560 210.0 0.417 0.395 0.408 0.000 0.000 -0.000 3/34560 220.0 0.400 0.379 0.391 0.000 0.000 -0.000 3/34560 230.0 0.384 0.364 0.375 0.000 0.000 -0.000 3/34560 240.0 0.370 0.351 0.361 0.000 0.000 -0.000 3/34560 250.0 0.356 0.339 0.348 0.000 0.000 -0.000 3/34560 260.0 0.344 0.327 0.336 0.000 0.000 -0.000 3/34560 270.0 0.333 0.317 0.325 0.000 0.000 -0.000 3/34560 280.0 0.323 0.308 0.315 0.000 0.000 -0.000 3/34560 290.0 0.314 0.299 0.306 0.000 0.000 -0.000 3/34560 300.0 0.305 0.291 0.297 0.000 0.000 -0.000 3/34560 310.0 0.297 0.284 0.289 0.000 0.000 -0.000 3/34560 320.0 0.289 0.277 0.281 0.000 0.000 -0.000 3/34560 330.0 0.282 0.270 0.274 0.000 0.000 -0.000 3/34560 340.0 0.275 0.264 0.267 0.000 0.000 -0.000 3/34560 350.0 0.268 0.258 0.261 0.000 0.000 -0.000 3/34560 360.0 0.262 0.252 0.255 0.000 0.000 -0.000 3/34560 370.0 0.257 0.247 0.249 0.000 0.000 -0.000 3/34560 380.0 0.251 0.242 0.244 0.000 0.000 -0.000 3/34560 390.0 0.246 0.237 0.239 0.000 0.000 -0.000 3/34560 400.0 0.241 0.233 0.234 0.000 0.000 -0.000 3/34560 410.0 0.236 0.228 0.229 0.000 0.000 -0.000 3/34560 420.0 0.231 0.224 0.224 0.000 0.000 -0.000 3/34560 430.0 0.227 0.220 0.220 0.000 0.000 -0.000 3/34560 440.0 0.223 0.216 0.216 0.000 0.000 -0.000 3/34560 450.0 0.219 0.212 0.212 0.000 0.000 -0.000 3/34560 460.0 0.215 0.209 0.208 0.000 0.000 -0.000 3/34560 470.0 0.211 0.205 0.204 0.000 0.000 -0.000 3/34560 480.0 0.207 0.202 0.201 0.000 0.000 -0.000 3/34560 490.0 0.204 0.199 0.197 0.000 0.000 -0.000 3/34560 500.0 0.201 0.195 0.194 0.000 0.000 -0.000 3/34560 510.0 0.197 0.192 0.191 0.000 0.000 -0.000 3/34560 520.0 0.194 0.189 0.188 0.000 0.000 -0.000 3/34560 530.0 0.191 0.187 0.185 0.000 0.000 -0.000 3/34560 540.0 0.188 0.184 0.182 0.000 0.000 -0.000 3/34560 550.0 0.185 0.181 0.179 0.000 0.000 -0.000 3/34560 560.0 0.182 0.178 0.176 0.000 0.000 -0.000 3/34560 570.0 0.180 0.176 0.174 0.000 0.000 -0.000 3/34560 580.0 0.177 0.173 0.171 0.000 0.000 -0.000 3/34560 590.0 0.174 0.171 0.169 0.000 0.000 -0.000 3/34560 600.0 0.172 0.169 0.166 0.000 0.000 -0.000 3/34560 610.0 0.170 0.166 0.164 0.000 0.000 -0.000 3/34560 620.0 0.167 0.164 0.161 0.000 0.000 -0.000 3/34560 630.0 0.165 0.162 0.159 0.000 0.000 -0.000 3/34560 640.0 0.163 0.160 0.157 0.000 0.000 -0.000 3/34560 650.0 0.160 0.158 0.155 0.000 0.000 -0.000 3/34560 660.0 0.158 0.156 0.153 0.000 0.000 -0.000 3/34560 670.0 0.156 0.154 0.151 0.000 0.000 -0.000 3/34560 680.0 0.154 0.152 0.149 0.000 0.000 -0.000 3/34560 690.0 0.152 0.150 0.147 0.000 0.000 -0.000 3/34560 700.0 0.150 0.148 0.145 0.000 0.000 -0.000 3/34560 710.0 0.149 0.146 0.143 0.000 0.000 -0.000 3/34560 720.0 0.147 0.145 0.141 0.000 0.000 -0.000 3/34560 730.0 0.145 0.143 0.140 0.000 0.000 -0.000 3/34560 740.0 0.143 0.141 0.138 0.000 0.000 -0.000 3/34560 750.0 0.141 0.140 0.136 0.000 0.000 -0.000 3/34560 760.0 0.140 0.138 0.135 0.000 0.000 -0.000 3/34560 770.0 0.138 0.136 0.133 0.000 0.000 -0.000 3/34560 780.0 0.137 0.135 0.132 0.000 0.000 -0.000 3/34560 790.0 0.135 0.133 0.130 0.000 0.000 -0.000 3/34560 800.0 0.134 0.132 0.129 0.000 0.000 -0.000 3/34560 810.0 0.132 0.130 0.127 0.000 0.000 -0.000 3/34560 820.0 0.131 0.129 0.126 0.000 0.000 -0.000 3/34560 830.0 0.129 0.128 0.124 0.000 0.000 -0.000 3/34560 840.0 0.128 0.126 0.123 0.000 0.000 -0.000 3/34560 850.0 0.126 0.125 0.122 0.000 0.000 -0.000 3/34560 860.0 0.125 0.124 0.120 0.000 0.000 -0.000 3/34560 870.0 0.124 0.122 0.119 0.000 0.000 -0.000 3/34560 880.0 0.122 0.121 0.118 0.000 0.000 -0.000 3/34560 890.0 0.121 0.120 0.117 0.000 0.000 -0.000 3/34560 900.0 0.120 0.119 0.116 0.000 0.000 -0.000 3/34560 910.0 0.119 0.118 0.114 0.000 0.000 -0.000 3/34560 920.0 0.118 0.116 0.113 0.000 0.000 -0.000 3/34560 930.0 0.116 0.115 0.112 0.000 0.000 -0.000 3/34560 940.0 0.115 0.114 0.111 0.000 0.000 -0.000 3/34560 950.0 0.114 0.113 0.110 0.000 0.000 -0.000 3/34560 960.0 0.113 0.112 0.109 0.000 0.000 -0.000 3/34560 970.0 0.112 0.111 0.108 0.000 0.000 -0.000 3/34560 980.0 0.111 0.110 0.107 0.000 0.000 -0.000 3/34560 990.0 0.110 0.109 0.106 0.000 0.000 -0.000 3/34560 1000.0 0.109 0.108 0.105 0.000 0.000 -0.000 3/34560 Thermal conductivity related properties were written into "kappa-m656.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:01:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|