----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:34:03]------------------------- 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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.633630815000000 3.977865795000000 6.391276850000000 b 3.633630815000000 -3.977865795000000 6.391276850000000 c 3.633630815000000 3.977865795000000 -6.391276850000000 Atomic positions (fractional): *1 Pb 0.72805301740005 0.72805301740005 0.00000000000000 207.200 2 Pb 0.27194698259995 0.27194698259995 0.00000000000000 207.200 *3 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 *4 K 0.50000000000000 0.24652321113098 0.74652321113098 39.098 5 K 0.50000000000000 0.75347678886902 0.25347678886902 39.098 *6 Li 0.84197922858666 0.50000000000000 0.34197922858666 6.941 7 Li 0.15802077141334 0.50000000000000 0.65802077141334 6.941 *8 Li 0.41471140067354 0.76962547911951 0.64508592155402 6.941 9 Li 0.58528859932646 0.23037452088049 0.35491407844598 6.941 10 Li 0.87546044243451 0.23037452088049 0.64508592155402 6.941 11 Li 0.12453955756549 0.76962547911951 0.35491407844598 6.941 *12 Li 0.70861692362775 0.59377480433889 0.57062666591554 6.941 13 Li 0.29138307637225 0.86200974228779 0.88515788071114 6.941 14 Li 0.97685186157665 0.40622519566111 0.11484211928886 6.941 15 Li 0.02314813842335 0.13799025771221 0.42937333408446 6.941 16 Li 0.29138307637225 0.40622519566111 0.42937333408446 6.941 17 Li 0.70861692362775 0.13799025771221 0.11484211928886 6.941 18 Li 0.02314813842335 0.59377480433889 0.88515788071114 6.941 19 Li 0.97685186157665 0.86200974228779 0.57062666591554 6.941 *20 O 0.74918307926832 0.04154026577745 0.29235718650913 15.999 21 O 0.25081692073168 0.54317410724081 0.29235718650913 15.999 22 O 0.25081692073168 0.95845973422255 0.70764281349087 15.999 23 O 0.74918307926832 0.45682589275919 0.70764281349087 15.999 *24 O 0.00000000000000 0.70404847405015 0.70404847405015 15.999 25 O 0.00000000000000 0.29595152594985 0.29595152594985 15.999 *26 O 0.68535443304135 0.87281176533507 0.81254266770628 15.999 27 O 0.31464556695865 0.12718823466493 0.18745733229372 15.999 28 O 0.93973090237120 0.12718823466493 0.81254266770628 15.999 29 O 0.06026909762880 0.87281176533507 0.18745733229372 15.999 *30 O 0.41062665576247 0.62722270825191 0.78340394751056 15.999 31 O 0.58937334423753 0.37277729174809 0.21659605248944 15.999 32 O 0.15618123925865 0.37277729174809 0.78340394751056 15.999 33 O 0.84381876074135 0.62722270825191 0.21659605248944 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.267261630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.955731589999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.782553699999999 Atomic positions (fractional): *1 Pb 0.50000000000000 0.50000000000000 0.22805301740005 207.200 > 1 2 Pb 0.00000000000000 0.00000000000000 0.27194698259995 207.200 > 2 *3 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 3 4 Pb 0.00000000000000 0.00000000000000 0.72805301740005 207.200 > 1 5 Pb 0.50000000000000 0.50000000000000 0.77194698259995 207.200 > 2 6 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 3 *7 K 0.24652321113098 0.50000000000000 0.00000000000000 39.098 > 4 8 K 0.75347678886902 0.50000000000000 0.00000000000000 39.098 > 5 9 K 0.74652321113098 0.00000000000000 0.50000000000000 39.098 > 4 10 K 0.25347678886902 0.00000000000000 0.50000000000000 39.098 > 5 *11 Li 0.50000000000000 0.84197922858666 0.00000000000000 6.941 > 6 12 Li 0.50000000000000 0.15802077141334 0.00000000000000 6.941 > 7 *13 Li 0.50000000000000 0.14508592155402 0.26962547911951 6.941 > 8 14 Li 0.00000000000000 0.35491407844598 0.23037452088049 6.941 > 9 15 Li 0.00000000000000 0.64508592155402 0.23037452088049 6.941 > 10 16 Li 0.50000000000000 0.85491407844598 0.26962547911951 6.941 > 11 *17 Li 0.22789227331334 0.34273439260220 0.36588253102555 6.941 > 12 18 Li 0.72789227331334 0.15726560739780 0.13411746897445 6.941 > 13 19 Li 0.27210772668666 0.84273439260220 0.13411746897445 6.941 > 14 20 Li 0.77210772668666 0.65726560739780 0.36588253102555 6.941 > 15 21 Li 0.27210772668666 0.15726560739780 0.13411746897445 6.941 > 16 22 Li 0.77210772668666 0.34273439260220 0.36588253102555 6.941 > 17 23 Li 0.22789227331334 0.65726560739780 0.36588253102555 6.941 > 18 24 Li 0.72789227331334 0.84273439260220 0.13411746897445 6.941 > 19 25 Li 0.00000000000000 0.34197922858666 0.50000000000000 6.941 > 6 26 Li 0.00000000000000 0.65802077141334 0.50000000000000 6.941 > 7 27 Li 0.00000000000000 0.64508592155402 0.76962547911951 6.941 > 8 28 Li 0.50000000000000 0.85491407844598 0.73037452088049 6.941 > 9 29 Li 0.50000000000000 0.14508592155402 0.73037452088049 6.941 > 10 30 Li 0.00000000000000 0.35491407844598 0.76962547911951 6.941 > 11 31 Li 0.72789227331334 0.84273439260220 0.86588253102555 6.941 > 12 32 Li 0.22789227331334 0.65726560739780 0.63411746897445 6.941 > 13 33 Li 0.77210772668666 0.34273439260220 0.63411746897445 6.941 > 14 34 Li 0.27210772668666 0.15726560739780 0.86588253102555 6.941 > 15 35 Li 0.77210772668666 0.65726560739780 0.63411746897445 6.941 > 16 36 Li 0.27210772668666 0.84273439260220 0.86588253102555 6.941 > 17 37 Li 0.72789227331334 0.15726560739780 0.86588253102555 6.941 > 18 38 Li 0.22789227331334 0.34273439260220 0.63411746897445 6.941 > 19 *39 O 0.79235718650913 0.50000000000000 0.24918307926832 15.999 > 20 40 O 0.29235718650913 0.00000000000000 0.25081692073168 15.999 > 21 41 O 0.70764281349087 0.00000000000000 0.25081692073168 15.999 > 22 42 O 0.20764281349087 0.50000000000000 0.24918307926832 15.999 > 23 *43 O 0.70404847405015 0.00000000000000 0.00000000000000 15.999 > 24 44 O 0.29595152594985 0.00000000000000 0.00000000000000 15.999 > 25 *45 O 0.50000000000000 0.31254266770627 0.37281176533507 15.999 > 26 46 O 0.00000000000000 0.18745733229372 0.12718823466493 15.999 > 27 47 O 0.00000000000000 0.81254266770628 0.12718823466493 15.999 > 28 48 O 0.50000000000000 0.68745733229372 0.37281176533507 15.999 > 29 *49 O 0.50000000000000 0.28340394751056 0.12722270825191 15.999 > 30 50 O 0.00000000000000 0.21659605248944 0.37277729174809 15.999 > 31 51 O 0.00000000000000 0.78340394751056 0.37277729174809 15.999 > 32 52 O 0.50000000000000 0.71659605248944 0.12722270825191 15.999 > 33 53 O 0.29235718650913 0.00000000000000 0.74918307926832 15.999 > 20 54 O 0.79235718650913 0.50000000000000 0.75081692073168 15.999 > 21 55 O 0.20764281349087 0.50000000000000 0.75081692073168 15.999 > 22 56 O 0.70764281349087 0.00000000000000 0.74918307926832 15.999 > 23 57 O 0.20404847405015 0.50000000000000 0.50000000000000 15.999 > 24 58 O 0.79595152594985 0.50000000000000 0.50000000000000 15.999 > 25 59 O 0.00000000000000 0.81254266770628 0.87281176533507 15.999 > 26 60 O 0.50000000000000 0.68745733229372 0.62718823466493 15.999 > 27 61 O 0.50000000000000 0.31254266770627 0.62718823466493 15.999 > 28 62 O 0.00000000000000 0.18745733229372 0.87281176533507 15.999 > 29 63 O 0.00000000000000 0.78340394751056 0.62722270825191 15.999 > 30 64 O 0.50000000000000 0.71659605248944 0.87277729174809 15.999 > 31 65 O 0.50000000000000 0.28340394751056 0.87277729174809 15.999 > 32 66 O 0.00000000000000 0.21659605248944 0.62722270825191 15.999 > 33 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.534523260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.955731589999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.782553699999999 Atomic positions (fractional): *1 Pb 0.25000000000000 0.50000000000000 0.22805301740005 207.200 > 1 2 Pb 0.75000000000000 0.50000000000000 0.22805301740005 207.200 > 1 3 Pb 0.00000000000000 0.00000000000000 0.27194698259995 207.200 > 2 4 Pb 0.50000000000000 0.00000000000000 0.27194698259995 207.200 > 2 *5 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 3 6 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 3 7 Pb 0.00000000000000 0.00000000000000 0.72805301740005 207.200 > 1 8 Pb 0.50000000000000 0.00000000000000 0.72805301740005 207.200 > 1 9 Pb 0.25000000000000 0.50000000000000 0.77194698259995 207.200 > 2 10 Pb 0.75000000000000 0.50000000000000 0.77194698259995 207.200 > 2 11 Pb 0.25000000000000 0.50000000000000 0.50000000000000 207.200 > 3 12 Pb 0.75000000000000 0.50000000000000 0.50000000000000 207.200 > 3 *13 K 0.12326160556549 0.50000000000000 0.00000000000000 39.098 > 4 14 K 0.62326160556549 0.50000000000000 0.00000000000000 39.098 > 4 15 K 0.37673839443451 0.50000000000000 0.00000000000000 39.098 > 5 16 K 0.87673839443451 0.50000000000000 0.00000000000000 39.098 > 5 17 K 0.37326160556549 0.00000000000000 0.50000000000000 39.098 > 4 18 K 0.87326160556549 0.00000000000000 0.50000000000000 39.098 > 4 19 K 0.12673839443451 0.00000000000000 0.50000000000000 39.098 > 5 20 K 0.62673839443451 0.00000000000000 0.50000000000000 39.098 > 5 *21 Li 0.25000000000000 0.84197922858666 0.00000000000000 6.941 > 6 22 Li 0.75000000000000 0.84197922858666 0.00000000000000 6.941 > 6 23 Li 0.25000000000000 0.15802077141334 0.00000000000000 6.941 > 7 24 Li 0.75000000000000 0.15802077141334 0.00000000000000 6.941 > 7 *25 Li 0.25000000000000 0.14508592155402 0.26962547911951 6.941 > 8 26 Li 0.75000000000000 0.14508592155402 0.26962547911951 6.941 > 8 27 Li 0.00000000000000 0.35491407844598 0.23037452088049 6.941 > 9 28 Li 0.50000000000000 0.35491407844598 0.23037452088049 6.941 > 9 29 Li 0.00000000000000 0.64508592155402 0.23037452088049 6.941 > 10 30 Li 0.50000000000000 0.64508592155402 0.23037452088049 6.941 > 10 31 Li 0.25000000000000 0.85491407844598 0.26962547911951 6.941 > 11 32 Li 0.75000000000000 0.85491407844598 0.26962547911951 6.941 > 11 *33 Li 0.11394613665667 0.34273439260220 0.36588253102555 6.941 > 12 34 Li 0.61394613665667 0.34273439260220 0.36588253102555 6.941 > 12 35 Li 0.36394613665667 0.15726560739780 0.13411746897445 6.941 > 13 36 Li 0.86394613665667 0.15726560739780 0.13411746897445 6.941 > 13 37 Li 0.13605386334333 0.84273439260220 0.13411746897445 6.941 > 14 38 Li 0.63605386334333 0.84273439260220 0.13411746897445 6.941 > 14 39 Li 0.38605386334333 0.65726560739780 0.36588253102555 6.941 > 15 40 Li 0.88605386334333 0.65726560739780 0.36588253102555 6.941 > 15 41 Li 0.13605386334333 0.15726560739780 0.13411746897445 6.941 > 16 42 Li 0.63605386334333 0.15726560739780 0.13411746897445 6.941 > 16 43 Li 0.38605386334333 0.34273439260220 0.36588253102555 6.941 > 17 44 Li 0.88605386334333 0.34273439260220 0.36588253102555 6.941 > 17 45 Li 0.11394613665667 0.65726560739780 0.36588253102555 6.941 > 18 46 Li 0.61394613665667 0.65726560739780 0.36588253102555 6.941 > 18 47 Li 0.36394613665667 0.84273439260220 0.13411746897445 6.941 > 19 48 Li 0.86394613665667 0.84273439260220 0.13411746897445 6.941 > 19 49 Li 0.00000000000000 0.34197922858666 0.50000000000000 6.941 > 6 50 Li 0.50000000000000 0.34197922858666 0.50000000000000 6.941 > 6 51 Li 0.00000000000000 0.65802077141334 0.50000000000000 6.941 > 7 52 Li 0.50000000000000 0.65802077141334 0.50000000000000 6.941 > 7 53 Li 0.00000000000000 0.64508592155402 0.76962547911951 6.941 > 8 54 Li 0.50000000000000 0.64508592155402 0.76962547911951 6.941 > 8 55 Li 0.25000000000000 0.85491407844598 0.73037452088049 6.941 > 9 56 Li 0.75000000000000 0.85491407844598 0.73037452088049 6.941 > 9 57 Li 0.25000000000000 0.14508592155402 0.73037452088049 6.941 > 10 58 Li 0.75000000000000 0.14508592155402 0.73037452088049 6.941 > 10 59 Li 0.00000000000000 0.35491407844598 0.76962547911951 6.941 > 11 60 Li 0.50000000000000 0.35491407844598 0.76962547911951 6.941 > 11 61 Li 0.36394613665667 0.84273439260220 0.86588253102555 6.941 > 12 62 Li 0.86394613665667 0.84273439260220 0.86588253102555 6.941 > 12 63 Li 0.11394613665667 0.65726560739780 0.63411746897445 6.941 > 13 64 Li 0.61394613665667 0.65726560739780 0.63411746897445 6.941 > 13 65 Li 0.38605386334333 0.34273439260220 0.63411746897445 6.941 > 14 66 Li 0.88605386334333 0.34273439260220 0.63411746897445 6.941 > 14 67 Li 0.13605386334333 0.15726560739780 0.86588253102555 6.941 > 15 68 Li 0.63605386334333 0.15726560739780 0.86588253102555 6.941 > 15 69 Li 0.38605386334333 0.65726560739780 0.63411746897445 6.941 > 16 70 Li 0.88605386334333 0.65726560739780 0.63411746897445 6.941 > 16 71 Li 0.13605386334333 0.84273439260220 0.86588253102555 6.941 > 17 72 Li 0.63605386334333 0.84273439260220 0.86588253102555 6.941 > 17 73 Li 0.36394613665667 0.15726560739780 0.86588253102555 6.941 > 18 74 Li 0.86394613665667 0.15726560739780 0.86588253102555 6.941 > 18 75 Li 0.11394613665667 0.34273439260220 0.63411746897445 6.941 > 19 76 Li 0.61394613665667 0.34273439260220 0.63411746897445 6.941 > 19 *77 O 0.39617859325457 0.50000000000000 0.24918307926832 15.999 > 20 78 O 0.89617859325457 0.50000000000000 0.24918307926832 15.999 > 20 79 O 0.14617859325457 0.00000000000000 0.25081692073168 15.999 > 21 80 O 0.64617859325457 0.00000000000000 0.25081692073168 15.999 > 21 81 O 0.35382140674543 0.00000000000000 0.25081692073168 15.999 > 22 82 O 0.85382140674543 0.00000000000000 0.25081692073168 15.999 > 22 83 O 0.10382140674543 0.50000000000000 0.24918307926832 15.999 > 23 84 O 0.60382140674543 0.50000000000000 0.24918307926832 15.999 > 23 *85 O 0.35202423702507 0.00000000000000 0.00000000000000 15.999 > 24 86 O 0.85202423702507 0.00000000000000 0.00000000000000 15.999 > 24 87 O 0.14797576297493 0.00000000000000 0.00000000000000 15.999 > 25 88 O 0.64797576297493 0.00000000000000 0.00000000000000 15.999 > 25 *89 O 0.25000000000000 0.31254266770627 0.37281176533507 15.999 > 26 90 O 0.75000000000000 0.31254266770627 0.37281176533507 15.999 > 26 91 O 0.00000000000000 0.18745733229372 0.12718823466493 15.999 > 27 92 O 0.50000000000000 0.18745733229372 0.12718823466493 15.999 > 27 93 O 0.00000000000000 0.81254266770628 0.12718823466493 15.999 > 28 94 O 0.50000000000000 0.81254266770628 0.12718823466493 15.999 > 28 95 O 0.25000000000000 0.68745733229372 0.37281176533507 15.999 > 29 96 O 0.75000000000000 0.68745733229372 0.37281176533507 15.999 > 29 *97 O 0.25000000000000 0.28340394751056 0.12722270825191 15.999 > 30 98 O 0.75000000000000 0.28340394751056 0.12722270825191 15.999 > 30 99 O 0.00000000000000 0.21659605248944 0.37277729174809 15.999 > 31 100 O 0.50000000000000 0.21659605248944 0.37277729174809 15.999 > 31 101 O 0.00000000000000 0.78340394751056 0.37277729174809 15.999 > 32 102 O 0.50000000000000 0.78340394751056 0.37277729174809 15.999 > 32 103 O 0.25000000000000 0.71659605248944 0.12722270825191 15.999 > 33 104 O 0.75000000000000 0.71659605248944 0.12722270825191 15.999 > 33 105 O 0.14617859325457 0.00000000000000 0.74918307926832 15.999 > 20 106 O 0.64617859325457 0.00000000000000 0.74918307926832 15.999 > 20 107 O 0.39617859325457 0.50000000000000 0.75081692073168 15.999 > 21 108 O 0.89617859325457 0.50000000000000 0.75081692073168 15.999 > 21 109 O 0.10382140674543 0.50000000000000 0.75081692073168 15.999 > 22 110 O 0.60382140674543 0.50000000000000 0.75081692073168 15.999 > 22 111 O 0.35382140674543 0.00000000000000 0.74918307926832 15.999 > 23 112 O 0.85382140674543 0.00000000000000 0.74918307926832 15.999 > 23 113 O 0.10202423702507 0.50000000000000 0.50000000000000 15.999 > 24 114 O 0.60202423702507 0.50000000000000 0.50000000000000 15.999 > 24 115 O 0.39797576297493 0.50000000000000 0.50000000000000 15.999 > 25 116 O 0.89797576297493 0.50000000000000 0.50000000000000 15.999 > 25 117 O 0.00000000000000 0.81254266770628 0.87281176533507 15.999 > 26 118 O 0.50000000000000 0.81254266770628 0.87281176533507 15.999 > 26 119 O 0.25000000000000 0.68745733229372 0.62718823466493 15.999 > 27 120 O 0.75000000000000 0.68745733229372 0.62718823466493 15.999 > 27 121 O 0.25000000000000 0.31254266770627 0.62718823466493 15.999 > 28 122 O 0.75000000000000 0.31254266770627 0.62718823466493 15.999 > 28 123 O 0.00000000000000 0.18745733229372 0.87281176533507 15.999 > 29 124 O 0.50000000000000 0.18745733229372 0.87281176533507 15.999 > 29 125 O 0.00000000000000 0.78340394751056 0.62722270825191 15.999 > 30 126 O 0.50000000000000 0.78340394751056 0.62722270825191 15.999 > 30 127 O 0.25000000000000 0.71659605248944 0.87277729174809 15.999 > 31 128 O 0.75000000000000 0.71659605248944 0.87277729174809 15.999 > 31 129 O 0.25000000000000 0.28340394751056 0.87277729174809 15.999 > 32 130 O 0.75000000000000 0.28340394751056 0.87277729174809 15.999 > 32 131 O 0.00000000000000 0.21659605248944 0.62722270825191 15.999 > 33 132 O 0.50000000000000 0.21659605248944 0.62722270825191 15.999 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7519334 0.0000000 0.0000000 0.0000000 3.5315452 0.0000000 0.0000000 0.0000000 3.7993297 -------------------------- Born effective charges -------------------------- 1 Pb 3.2519626 0.0000000 0.0000000 0.0000000 3.1362051 0.0000000 0.0000000 0.0000000 3.8411572 2 Pb 3.2519626 0.0000000 0.0000000 0.0000000 3.1362051 0.0000000 0.0000000 0.0000000 3.8411572 3 Pb 3.4176888 0.0000000 0.0000000 0.0000000 2.3918024 0.0000000 0.0000000 0.0000000 4.6104452 4 K 1.0830567 0.0000000 0.0000000 0.0000000 1.2334566 0.0000000 0.0000000 0.0000000 1.4239138 5 K 1.0830567 0.0000000 0.0000000 0.0000000 1.2334566 0.0000000 0.0000000 0.0000000 1.4239138 6 Li 1.0838185 0.0000000 0.0000000 0.0000000 1.0594138 0.0000000 0.0000000 0.0000000 1.2344647 7 Li 1.0838185 0.0000000 0.0000000 0.0000000 1.0594138 0.0000000 0.0000000 0.0000000 1.2344647 8 Li 1.1631889 0.0000000 0.0000000 0.0000000 1.1802357 0.1088504 0.0000000 0.1723316 0.7510456 9 Li 1.1631889 0.0000000 0.0000000 0.0000000 1.1802357 0.1088504 0.0000000 0.1723316 0.7510456 10 Li 1.1631889 0.0000000 0.0000000 0.0000000 1.1802357 -0.1088504 0.0000000 -0.1723316 0.7510456 11 Li 1.1631889 0.0000000 0.0000000 0.0000000 1.1802357 -0.1088504 0.0000000 -0.1723316 0.7510456 12 Li 0.9632728 0.2653316 -0.0235495 0.3382686 0.9313917 0.0619727 0.1166840 0.1146102 0.9067456 13 Li 0.9632728 -0.2653316 0.0235495 -0.3382686 0.9313917 0.0619727 -0.1166840 0.1146102 0.9067456 14 Li 0.9632728 -0.2653316 -0.0235495 -0.3382686 0.9313917 -0.0619727 0.1166840 -0.1146102 0.9067456 15 Li 0.9632728 0.2653316 0.0235495 0.3382686 0.9313917 -0.0619727 -0.1166840 -0.1146102 0.9067456 16 Li 0.9632728 0.2653316 -0.0235495 0.3382686 0.9313917 0.0619727 0.1166840 0.1146102 0.9067456 17 Li 0.9632728 -0.2653316 0.0235495 -0.3382686 0.9313917 0.0619727 -0.1166840 0.1146102 0.9067456 18 Li 0.9632728 -0.2653316 -0.0235495 -0.3382686 0.9313917 -0.0619727 0.1166840 -0.1146102 0.9067456 19 Li 0.9632728 0.2653316 0.0235495 0.3382686 0.9313917 -0.0619727 -0.1166840 -0.1146102 0.9067456 20 O -2.3971669 0.0000000 0.0048408 0.0000000 -1.6745944 0.0000000 0.1626924 0.0000000 -1.4893553 21 O -2.3971669 0.0000000 -0.0048408 0.0000000 -1.6745944 0.0000000 -0.1626924 0.0000000 -1.4893553 22 O -2.3971669 0.0000000 0.0048408 0.0000000 -1.6745944 0.0000000 0.1626924 0.0000000 -1.4893553 23 O -2.3971669 0.0000000 -0.0048408 0.0000000 -1.6745944 0.0000000 -0.1626924 0.0000000 -1.4893553 24 O -2.3686595 0.0000000 0.0000000 0.0000000 -1.5854335 0.0000000 0.0000000 0.0000000 -1.8890973 25 O -2.3686595 0.0000000 0.0000000 0.0000000 -1.5854335 0.0000000 0.0000000 0.0000000 -1.8890973 26 O -1.4857671 0.0000000 0.0000000 0.0000000 -1.7983165 -0.1875267 0.0000000 -0.1958482 -2.4464063 27 O -1.4857671 0.0000000 0.0000000 0.0000000 -1.7983165 -0.1875267 0.0000000 -0.1958482 -2.4464063 28 O -1.4857671 0.0000000 0.0000000 0.0000000 -1.7983165 0.1875267 0.0000000 0.1958482 -2.4464063 29 O -1.4857671 0.0000000 0.0000000 0.0000000 -1.7983165 0.1875267 0.0000000 0.1958482 -2.4464063 30 O -1.5863119 0.0000000 0.0000000 0.0000000 -2.0898798 -0.4389421 0.0000000 -0.5043367 -2.0866057 31 O -1.5863119 0.0000000 0.0000000 0.0000000 -2.0898798 -0.4389421 0.0000000 -0.5043367 -2.0866057 32 O -1.5863119 0.0000000 0.0000000 0.0000000 -2.0898798 0.4389421 0.0000000 0.5043367 -2.0866057 33 O -1.5863119 0.0000000 0.0000000 0.0000000 -2.0898798 0.4389421 0.0000000 0.5043367 -2.0866057 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 23346/23346 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2687 Number of blocks in projector: 2689 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: 540 Use submatrix version of eigh solver. (1) Block: 540 / 540 (2) Block: 250 / 540 (2) 242 eigenvectors found. (2) Block: 540 / 540 (2) 282 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 532 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 409 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 409 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 409 Use standard eigh solver. Tree of FC basis block matrices: - (2687, 2643), data: False |-- (409, 399), data: True |-- (409, 399), data: True |-- (409, 399), data: True |-- (424, 422), data: True |-- (496, 492), data: True |-- (540, 532), data: False |-- (540, 532), data: False |-- (540, 8), data: (540, 16) @ (16, 8) |-- (290, 282), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 0.868 Solver_block: 200 / 560 - Time: 0.740 Solver_block: 300 / 560 - Time: 0.959 Solver_block: 400 / 560 - Time: 0.724 Solver_block: 500 / 560 - Time: 0.971 Solver_block: 560 / 560 - Time: 0.683 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.182 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 23346/23346 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2687 Number of blocks in projector: 2689 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: 540 Use submatrix version of eigh solver. (1) Block: 540 / 540 (2) Block: 250 / 540 (2) 242 eigenvectors found. (2) Block: 540 / 540 (2) 282 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 532 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 409 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 409 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 409 Use standard eigh solver. Tree of FC basis block matrices: - (2687, 2643), data: False |-- (409, 399), data: True |-- (409, 399), data: True |-- (409, 399), data: True |-- (424, 422), data: True |-- (496, 492), data: True |-- (540, 532), data: False |-- (540, 532), data: False |-- (540, 8), data: (540, 16) @ (16, 8) |-- (290, 282), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:34:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:34:45]------------------------- 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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.633630815000000 3.977865795000000 6.391276850000000 b 3.633630815000000 -3.977865795000000 6.391276850000000 c 3.633630815000000 3.977865795000000 -6.391276850000000 Atomic positions (fractional): 1 Pb 0.72805301740005 0.72805301740005 0.00000000000000 207.200 2 Pb 0.27194698259995 0.27194698259995 0.00000000000000 207.200 3 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 4 K 0.50000000000000 0.24652321113098 0.74652321113098 39.098 5 K 0.50000000000000 0.75347678886902 0.25347678886902 39.098 6 Li 0.84197922858666 0.50000000000000 0.34197922858666 6.941 7 Li 0.15802077141334 0.50000000000000 0.65802077141334 6.941 8 Li 0.41471140067354 0.76962547911951 0.64508592155402 6.941 9 Li 0.58528859932646 0.23037452088049 0.35491407844598 6.941 10 Li 0.87546044243451 0.23037452088049 0.64508592155402 6.941 11 Li 0.12453955756549 0.76962547911951 0.35491407844598 6.941 12 Li 0.70861692362775 0.59377480433889 0.57062666591554 6.941 13 Li 0.29138307637225 0.86200974228779 0.88515788071114 6.941 14 Li 0.97685186157665 0.40622519566111 0.11484211928886 6.941 15 Li 0.02314813842335 0.13799025771221 0.42937333408446 6.941 16 Li 0.29138307637225 0.40622519566111 0.42937333408446 6.941 17 Li 0.70861692362775 0.13799025771221 0.11484211928886 6.941 18 Li 0.02314813842335 0.59377480433889 0.88515788071114 6.941 19 Li 0.97685186157665 0.86200974228779 0.57062666591554 6.941 20 O 0.74918307926832 0.04154026577745 0.29235718650913 15.999 21 O 0.25081692073168 0.54317410724081 0.29235718650913 15.999 22 O 0.25081692073168 0.95845973422255 0.70764281349087 15.999 23 O 0.74918307926832 0.45682589275919 0.70764281349087 15.999 24 O 0.00000000000000 0.70404847405015 0.70404847405015 15.999 25 O 0.00000000000000 0.29595152594985 0.29595152594985 15.999 26 O 0.68535443304135 0.87281176533507 0.81254266770628 15.999 27 O 0.31464556695865 0.12718823466493 0.18745733229372 15.999 28 O 0.93973090237120 0.12718823466493 0.81254266770628 15.999 29 O 0.06026909762880 0.87281176533507 0.18745733229372 15.999 30 O 0.41062665576247 0.62722270825191 0.78340394751056 15.999 31 O 0.58937334423753 0.37277729174809 0.21659605248944 15.999 32 O 0.15618123925865 0.37277729174809 0.78340394751056 15.999 33 O 0.84381876074135 0.62722270825191 0.21659605248944 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.534523260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.955731589999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.782553699999999 Atomic positions (fractional): 1 Pb 0.25000000000000 0.50000000000000 0.22805301740005 207.200 > 1 2 Pb 0.75000000000000 0.50000000000000 0.22805301740005 207.200 > 1 3 Pb 0.00000000000000 0.00000000000000 0.27194698259995 207.200 > 3 4 Pb 0.50000000000000 0.00000000000000 0.27194698259995 207.200 > 3 5 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 5 6 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 5 7 Pb 0.00000000000000 0.00000000000000 0.72805301740005 207.200 > 1 8 Pb 0.50000000000000 0.00000000000000 0.72805301740005 207.200 > 1 9 Pb 0.25000000000000 0.50000000000000 0.77194698259995 207.200 > 3 10 Pb 0.75000000000000 0.50000000000000 0.77194698259995 207.200 > 3 11 Pb 0.25000000000000 0.50000000000000 0.50000000000000 207.200 > 5 12 Pb 0.75000000000000 0.50000000000000 0.50000000000000 207.200 > 5 13 K 0.12326160556549 0.50000000000000 0.00000000000000 39.098 > 13 14 K 0.62326160556549 0.50000000000000 0.00000000000000 39.098 > 13 15 K 0.37673839443451 0.50000000000000 0.00000000000000 39.098 > 15 16 K 0.87673839443451 0.50000000000000 0.00000000000000 39.098 > 15 17 K 0.37326160556549 0.00000000000000 0.50000000000000 39.098 > 13 18 K 0.87326160556549 0.00000000000000 0.50000000000000 39.098 > 13 19 K 0.12673839443451 0.00000000000000 0.50000000000000 39.098 > 15 20 K 0.62673839443451 0.00000000000000 0.50000000000000 39.098 > 15 21 Li 0.25000000000000 0.84197922858666 0.00000000000000 6.941 > 21 22 Li 0.75000000000000 0.84197922858666 0.00000000000000 6.941 > 21 23 Li 0.25000000000000 0.15802077141334 0.00000000000000 6.941 > 23 24 Li 0.75000000000000 0.15802077141334 0.00000000000000 6.941 > 23 25 Li 0.25000000000000 0.14508592155402 0.26962547911951 6.941 > 25 26 Li 0.75000000000000 0.14508592155402 0.26962547911951 6.941 > 25 27 Li 0.00000000000000 0.35491407844598 0.23037452088049 6.941 > 27 28 Li 0.50000000000000 0.35491407844598 0.23037452088049 6.941 > 27 29 Li 0.00000000000000 0.64508592155402 0.23037452088049 6.941 > 29 30 Li 0.50000000000000 0.64508592155402 0.23037452088049 6.941 > 29 31 Li 0.25000000000000 0.85491407844598 0.26962547911951 6.941 > 31 32 Li 0.75000000000000 0.85491407844598 0.26962547911951 6.941 > 31 33 Li 0.11394613665667 0.34273439260220 0.36588253102555 6.941 > 33 34 Li 0.61394613665667 0.34273439260220 0.36588253102555 6.941 > 33 35 Li 0.36394613665667 0.15726560739780 0.13411746897445 6.941 > 35 36 Li 0.86394613665667 0.15726560739780 0.13411746897445 6.941 > 35 37 Li 0.13605386334333 0.84273439260220 0.13411746897445 6.941 > 37 38 Li 0.63605386334333 0.84273439260220 0.13411746897445 6.941 > 37 39 Li 0.38605386334333 0.65726560739780 0.36588253102555 6.941 > 39 40 Li 0.88605386334333 0.65726560739780 0.36588253102555 6.941 > 39 41 Li 0.13605386334333 0.15726560739780 0.13411746897445 6.941 > 41 42 Li 0.63605386334333 0.15726560739780 0.13411746897445 6.941 > 41 43 Li 0.38605386334333 0.34273439260220 0.36588253102555 6.941 > 43 44 Li 0.88605386334333 0.34273439260220 0.36588253102555 6.941 > 43 45 Li 0.11394613665667 0.65726560739780 0.36588253102555 6.941 > 45 46 Li 0.61394613665667 0.65726560739780 0.36588253102555 6.941 > 45 47 Li 0.36394613665667 0.84273439260220 0.13411746897445 6.941 > 47 48 Li 0.86394613665667 0.84273439260220 0.13411746897445 6.941 > 47 49 Li 0.00000000000000 0.34197922858666 0.50000000000000 6.941 > 21 50 Li 0.50000000000000 0.34197922858666 0.50000000000000 6.941 > 21 51 Li 0.00000000000000 0.65802077141334 0.50000000000000 6.941 > 23 52 Li 0.50000000000000 0.65802077141334 0.50000000000000 6.941 > 23 53 Li 0.00000000000000 0.64508592155402 0.76962547911951 6.941 > 25 54 Li 0.50000000000000 0.64508592155402 0.76962547911951 6.941 > 25 55 Li 0.25000000000000 0.85491407844598 0.73037452088049 6.941 > 27 56 Li 0.75000000000000 0.85491407844598 0.73037452088049 6.941 > 27 57 Li 0.25000000000000 0.14508592155402 0.73037452088049 6.941 > 29 58 Li 0.75000000000000 0.14508592155402 0.73037452088049 6.941 > 29 59 Li 0.00000000000000 0.35491407844598 0.76962547911951 6.941 > 31 60 Li 0.50000000000000 0.35491407844598 0.76962547911951 6.941 > 31 61 Li 0.36394613665667 0.84273439260220 0.86588253102555 6.941 > 33 62 Li 0.86394613665667 0.84273439260220 0.86588253102555 6.941 > 33 63 Li 0.11394613665667 0.65726560739780 0.63411746897445 6.941 > 35 64 Li 0.61394613665667 0.65726560739780 0.63411746897445 6.941 > 35 65 Li 0.38605386334333 0.34273439260220 0.63411746897445 6.941 > 37 66 Li 0.88605386334333 0.34273439260220 0.63411746897445 6.941 > 37 67 Li 0.13605386334333 0.15726560739780 0.86588253102555 6.941 > 39 68 Li 0.63605386334333 0.15726560739780 0.86588253102555 6.941 > 39 69 Li 0.38605386334333 0.65726560739780 0.63411746897445 6.941 > 41 70 Li 0.88605386334333 0.65726560739780 0.63411746897445 6.941 > 41 71 Li 0.13605386334333 0.84273439260220 0.86588253102555 6.941 > 43 72 Li 0.63605386334333 0.84273439260220 0.86588253102555 6.941 > 43 73 Li 0.36394613665667 0.15726560739780 0.86588253102555 6.941 > 45 74 Li 0.86394613665667 0.15726560739780 0.86588253102555 6.941 > 45 75 Li 0.11394613665667 0.34273439260220 0.63411746897445 6.941 > 47 76 Li 0.61394613665667 0.34273439260220 0.63411746897445 6.941 > 47 77 O 0.39617859325457 0.50000000000000 0.24918307926832 15.999 > 77 78 O 0.89617859325457 0.50000000000000 0.24918307926832 15.999 > 77 79 O 0.14617859325457 0.00000000000000 0.25081692073168 15.999 > 79 80 O 0.64617859325457 0.00000000000000 0.25081692073168 15.999 > 79 81 O 0.35382140674543 0.00000000000000 0.25081692073168 15.999 > 81 82 O 0.85382140674543 0.00000000000000 0.25081692073168 15.999 > 81 83 O 0.10382140674543 0.50000000000000 0.24918307926832 15.999 > 83 84 O 0.60382140674543 0.50000000000000 0.24918307926832 15.999 > 83 85 O 0.35202423702507 0.00000000000000 0.00000000000000 15.999 > 85 86 O 0.85202423702507 0.00000000000000 0.00000000000000 15.999 > 85 87 O 0.14797576297493 0.00000000000000 0.00000000000000 15.999 > 87 88 O 0.64797576297493 0.00000000000000 0.00000000000000 15.999 > 87 89 O 0.25000000000000 0.31254266770627 0.37281176533507 15.999 > 89 90 O 0.75000000000000 0.31254266770627 0.37281176533507 15.999 > 89 91 O 0.00000000000000 0.18745733229372 0.12718823466493 15.999 > 91 92 O 0.50000000000000 0.18745733229372 0.12718823466493 15.999 > 91 93 O 0.00000000000000 0.81254266770628 0.12718823466493 15.999 > 93 94 O 0.50000000000000 0.81254266770628 0.12718823466493 15.999 > 93 95 O 0.25000000000000 0.68745733229372 0.37281176533507 15.999 > 95 96 O 0.75000000000000 0.68745733229372 0.37281176533507 15.999 > 95 97 O 0.25000000000000 0.28340394751056 0.12722270825191 15.999 > 97 98 O 0.75000000000000 0.28340394751056 0.12722270825191 15.999 > 97 99 O 0.00000000000000 0.21659605248944 0.37277729174809 15.999 > 99 100 O 0.50000000000000 0.21659605248944 0.37277729174809 15.999 > 99 101 O 0.00000000000000 0.78340394751056 0.37277729174809 15.999 > 101 102 O 0.50000000000000 0.78340394751056 0.37277729174809 15.999 > 101 103 O 0.25000000000000 0.71659605248944 0.12722270825191 15.999 > 103 104 O 0.75000000000000 0.71659605248944 0.12722270825191 15.999 > 103 105 O 0.14617859325457 0.00000000000000 0.74918307926832 15.999 > 77 106 O 0.64617859325457 0.00000000000000 0.74918307926832 15.999 > 77 107 O 0.39617859325457 0.50000000000000 0.75081692073168 15.999 > 79 108 O 0.89617859325457 0.50000000000000 0.75081692073168 15.999 > 79 109 O 0.10382140674543 0.50000000000000 0.75081692073168 15.999 > 81 110 O 0.60382140674543 0.50000000000000 0.75081692073168 15.999 > 81 111 O 0.35382140674543 0.00000000000000 0.74918307926832 15.999 > 83 112 O 0.85382140674543 0.00000000000000 0.74918307926832 15.999 > 83 113 O 0.10202423702507 0.50000000000000 0.50000000000000 15.999 > 85 114 O 0.60202423702507 0.50000000000000 0.50000000000000 15.999 > 85 115 O 0.39797576297493 0.50000000000000 0.50000000000000 15.999 > 87 116 O 0.89797576297493 0.50000000000000 0.50000000000000 15.999 > 87 117 O 0.00000000000000 0.81254266770628 0.87281176533507 15.999 > 89 118 O 0.50000000000000 0.81254266770628 0.87281176533507 15.999 > 89 119 O 0.25000000000000 0.68745733229372 0.62718823466493 15.999 > 91 120 O 0.75000000000000 0.68745733229372 0.62718823466493 15.999 > 91 121 O 0.25000000000000 0.31254266770627 0.62718823466493 15.999 > 93 122 O 0.75000000000000 0.31254266770627 0.62718823466493 15.999 > 93 123 O 0.00000000000000 0.18745733229372 0.87281176533507 15.999 > 95 124 O 0.50000000000000 0.18745733229372 0.87281176533507 15.999 > 95 125 O 0.00000000000000 0.78340394751056 0.62722270825191 15.999 > 97 126 O 0.50000000000000 0.78340394751056 0.62722270825191 15.999 > 97 127 O 0.25000000000000 0.71659605248944 0.87277729174809 15.999 > 99 128 O 0.75000000000000 0.71659605248944 0.87277729174809 15.999 > 99 129 O 0.25000000000000 0.28340394751056 0.87277729174809 15.999 > 101 130 O 0.75000000000000 0.28340394751056 0.87277729174809 15.999 > 101 131 O 0.00000000000000 0.21659605248944 0.62722270825191 15.999 > 103 132 O 0.50000000000000 0.21659605248944 0.62722270825191 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7519334 0.0000000 0.0000000 0.0000000 3.5315452 0.0000000 0.0000000 0.0000000 3.7993297 -------------------------- Born effective charges -------------------------- 1 Pb 3.2519626 0.0000000 0.0000000 0.0000000 3.1362051 0.0000000 0.0000000 0.0000000 3.8411572 2 Pb 3.2519626 0.0000000 0.0000000 0.0000000 3.1362051 0.0000000 0.0000000 0.0000000 3.8411572 3 Pb 3.4176888 0.0000000 0.0000000 0.0000000 2.3918024 0.0000000 0.0000000 0.0000000 4.6104452 4 K 1.0830567 0.0000000 0.0000000 0.0000000 1.2334566 0.0000000 0.0000000 0.0000000 1.4239138 5 K 1.0830567 0.0000000 0.0000000 0.0000000 1.2334566 0.0000000 0.0000000 0.0000000 1.4239138 6 Li 1.0838185 0.0000000 0.0000000 0.0000000 1.0594138 0.0000000 0.0000000 0.0000000 1.2344647 7 Li 1.0838185 0.0000000 0.0000000 0.0000000 1.0594138 0.0000000 0.0000000 0.0000000 1.2344647 8 Li 1.1631889 0.0000000 0.0000000 0.0000000 1.1802357 0.1088504 0.0000000 0.1723316 0.7510456 9 Li 1.1631889 0.0000000 0.0000000 0.0000000 1.1802357 0.1088504 0.0000000 0.1723316 0.7510456 10 Li 1.1631889 0.0000000 0.0000000 0.0000000 1.1802357 -0.1088504 0.0000000 -0.1723316 0.7510456 11 Li 1.1631889 0.0000000 0.0000000 0.0000000 1.1802357 -0.1088504 0.0000000 -0.1723316 0.7510456 12 Li 0.9632728 0.2653316 -0.0235495 0.3382686 0.9313917 0.0619727 0.1166840 0.1146102 0.9067456 13 Li 0.9632728 -0.2653316 0.0235495 -0.3382686 0.9313917 0.0619727 -0.1166840 0.1146102 0.9067456 14 Li 0.9632728 -0.2653316 -0.0235495 -0.3382686 0.9313917 -0.0619727 0.1166840 -0.1146102 0.9067456 15 Li 0.9632728 0.2653316 0.0235495 0.3382686 0.9313917 -0.0619727 -0.1166840 -0.1146102 0.9067456 16 Li 0.9632728 0.2653316 -0.0235495 0.3382686 0.9313917 0.0619727 0.1166840 0.1146102 0.9067456 17 Li 0.9632728 -0.2653316 0.0235495 -0.3382686 0.9313917 0.0619727 -0.1166840 0.1146102 0.9067456 18 Li 0.9632728 -0.2653316 -0.0235495 -0.3382686 0.9313917 -0.0619727 0.1166840 -0.1146102 0.9067456 19 Li 0.9632728 0.2653316 0.0235495 0.3382686 0.9313917 -0.0619727 -0.1166840 -0.1146102 0.9067456 20 O -2.3971669 0.0000000 0.0048408 0.0000000 -1.6745944 0.0000000 0.1626924 0.0000000 -1.4893553 21 O -2.3971669 0.0000000 -0.0048408 0.0000000 -1.6745944 0.0000000 -0.1626924 0.0000000 -1.4893553 22 O -2.3971669 0.0000000 0.0048408 0.0000000 -1.6745944 0.0000000 0.1626924 0.0000000 -1.4893553 23 O -2.3971669 0.0000000 -0.0048408 0.0000000 -1.6745944 0.0000000 -0.1626924 0.0000000 -1.4893553 24 O -2.3686595 0.0000000 0.0000000 0.0000000 -1.5854335 0.0000000 0.0000000 0.0000000 -1.8890973 25 O -2.3686595 0.0000000 0.0000000 0.0000000 -1.5854335 0.0000000 0.0000000 0.0000000 -1.8890973 26 O -1.4857671 0.0000000 0.0000000 0.0000000 -1.7983165 -0.1875267 0.0000000 -0.1958482 -2.4464063 27 O -1.4857671 0.0000000 0.0000000 0.0000000 -1.7983165 -0.1875267 0.0000000 -0.1958482 -2.4464063 28 O -1.4857671 0.0000000 0.0000000 0.0000000 -1.7983165 0.1875267 0.0000000 0.1958482 -2.4464063 29 O -1.4857671 0.0000000 0.0000000 0.0000000 -1.7983165 0.1875267 0.0000000 0.1958482 -2.4464063 30 O -1.5863119 0.0000000 0.0000000 0.0000000 -2.0898798 -0.4389421 0.0000000 -0.5043367 -2.0866057 31 O -1.5863119 0.0000000 0.0000000 0.0000000 -2.0898798 -0.4389421 0.0000000 -0.5043367 -2.0866057 32 O -1.5863119 0.0000000 0.0000000 0.0000000 -2.0898798 0.4389421 0.0000000 0.5043367 -2.0866057 33 O -1.5863119 0.0000000 0.0000000 0.0000000 -2.0898798 0.4389421 0.0000000 0.5043367 -2.0866057 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 09:35:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:35:27]------------------------- 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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.633630815000000 3.977865795000000 6.391276850000000 b 3.633630815000000 -3.977865795000000 6.391276850000000 c 3.633630815000000 3.977865795000000 -6.391276850000000 Atomic positions (fractional): 1 Pb 0.72805301740005 0.72805301740005 0.00000000000000 207.200 2 Pb 0.27194698259995 0.27194698259995 0.00000000000000 207.200 3 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 4 K 0.50000000000000 0.24652321113098 0.74652321113098 39.098 5 K 0.50000000000000 0.75347678886902 0.25347678886902 39.098 6 Li 0.84197922858666 0.50000000000000 0.34197922858666 6.941 7 Li 0.15802077141334 0.50000000000000 0.65802077141334 6.941 8 Li 0.41471140067354 0.76962547911951 0.64508592155402 6.941 9 Li 0.58528859932646 0.23037452088049 0.35491407844598 6.941 10 Li 0.87546044243451 0.23037452088049 0.64508592155402 6.941 11 Li 0.12453955756549 0.76962547911951 0.35491407844598 6.941 12 Li 0.70861692362775 0.59377480433889 0.57062666591554 6.941 13 Li 0.29138307637225 0.86200974228779 0.88515788071114 6.941 14 Li 0.97685186157665 0.40622519566111 0.11484211928886 6.941 15 Li 0.02314813842335 0.13799025771221 0.42937333408446 6.941 16 Li 0.29138307637225 0.40622519566111 0.42937333408446 6.941 17 Li 0.70861692362775 0.13799025771221 0.11484211928886 6.941 18 Li 0.02314813842335 0.59377480433889 0.88515788071114 6.941 19 Li 0.97685186157665 0.86200974228779 0.57062666591554 6.941 20 O 0.74918307926832 0.04154026577745 0.29235718650913 15.999 21 O 0.25081692073168 0.54317410724081 0.29235718650913 15.999 22 O 0.25081692073168 0.95845973422255 0.70764281349087 15.999 23 O 0.74918307926832 0.45682589275919 0.70764281349087 15.999 24 O 0.00000000000000 0.70404847405015 0.70404847405015 15.999 25 O 0.00000000000000 0.29595152594985 0.29595152594985 15.999 26 O 0.68535443304135 0.87281176533507 0.81254266770628 15.999 27 O 0.31464556695865 0.12718823466493 0.18745733229372 15.999 28 O 0.93973090237120 0.12718823466493 0.81254266770628 15.999 29 O 0.06026909762880 0.87281176533507 0.18745733229372 15.999 30 O 0.41062665576247 0.62722270825191 0.78340394751056 15.999 31 O 0.58937334423753 0.37277729174809 0.21659605248944 15.999 32 O 0.15618123925865 0.37277729174809 0.78340394751056 15.999 33 O 0.84381876074135 0.62722270825191 0.21659605248944 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.534523260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.955731589999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.782553699999999 Atomic positions (fractional): 1 Pb 0.25000000000000 0.50000000000000 0.22805301740005 207.200 > 1 2 Pb 0.75000000000000 0.50000000000000 0.22805301740005 207.200 > 1 3 Pb 0.00000000000000 0.00000000000000 0.27194698259995 207.200 > 3 4 Pb 0.50000000000000 0.00000000000000 0.27194698259995 207.200 > 3 5 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 5 6 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 5 7 Pb 0.00000000000000 0.00000000000000 0.72805301740005 207.200 > 1 8 Pb 0.50000000000000 0.00000000000000 0.72805301740005 207.200 > 1 9 Pb 0.25000000000000 0.50000000000000 0.77194698259995 207.200 > 3 10 Pb 0.75000000000000 0.50000000000000 0.77194698259995 207.200 > 3 11 Pb 0.25000000000000 0.50000000000000 0.50000000000000 207.200 > 5 12 Pb 0.75000000000000 0.50000000000000 0.50000000000000 207.200 > 5 13 K 0.12326160556549 0.50000000000000 0.00000000000000 39.098 > 13 14 K 0.62326160556549 0.50000000000000 0.00000000000000 39.098 > 13 15 K 0.37673839443451 0.50000000000000 0.00000000000000 39.098 > 15 16 K 0.87673839443451 0.50000000000000 0.00000000000000 39.098 > 15 17 K 0.37326160556549 0.00000000000000 0.50000000000000 39.098 > 13 18 K 0.87326160556549 0.00000000000000 0.50000000000000 39.098 > 13 19 K 0.12673839443451 0.00000000000000 0.50000000000000 39.098 > 15 20 K 0.62673839443451 0.00000000000000 0.50000000000000 39.098 > 15 21 Li 0.25000000000000 0.84197922858666 0.00000000000000 6.941 > 21 22 Li 0.75000000000000 0.84197922858666 0.00000000000000 6.941 > 21 23 Li 0.25000000000000 0.15802077141334 0.00000000000000 6.941 > 23 24 Li 0.75000000000000 0.15802077141334 0.00000000000000 6.941 > 23 25 Li 0.25000000000000 0.14508592155402 0.26962547911951 6.941 > 25 26 Li 0.75000000000000 0.14508592155402 0.26962547911951 6.941 > 25 27 Li 0.00000000000000 0.35491407844598 0.23037452088049 6.941 > 27 28 Li 0.50000000000000 0.35491407844598 0.23037452088049 6.941 > 27 29 Li 0.00000000000000 0.64508592155402 0.23037452088049 6.941 > 29 30 Li 0.50000000000000 0.64508592155402 0.23037452088049 6.941 > 29 31 Li 0.25000000000000 0.85491407844598 0.26962547911951 6.941 > 31 32 Li 0.75000000000000 0.85491407844598 0.26962547911951 6.941 > 31 33 Li 0.11394613665667 0.34273439260220 0.36588253102555 6.941 > 33 34 Li 0.61394613665667 0.34273439260220 0.36588253102555 6.941 > 33 35 Li 0.36394613665667 0.15726560739780 0.13411746897445 6.941 > 35 36 Li 0.86394613665667 0.15726560739780 0.13411746897445 6.941 > 35 37 Li 0.13605386334333 0.84273439260220 0.13411746897445 6.941 > 37 38 Li 0.63605386334333 0.84273439260220 0.13411746897445 6.941 > 37 39 Li 0.38605386334333 0.65726560739780 0.36588253102555 6.941 > 39 40 Li 0.88605386334333 0.65726560739780 0.36588253102555 6.941 > 39 41 Li 0.13605386334333 0.15726560739780 0.13411746897445 6.941 > 41 42 Li 0.63605386334333 0.15726560739780 0.13411746897445 6.941 > 41 43 Li 0.38605386334333 0.34273439260220 0.36588253102555 6.941 > 43 44 Li 0.88605386334333 0.34273439260220 0.36588253102555 6.941 > 43 45 Li 0.11394613665667 0.65726560739780 0.36588253102555 6.941 > 45 46 Li 0.61394613665667 0.65726560739780 0.36588253102555 6.941 > 45 47 Li 0.36394613665667 0.84273439260220 0.13411746897445 6.941 > 47 48 Li 0.86394613665667 0.84273439260220 0.13411746897445 6.941 > 47 49 Li 0.00000000000000 0.34197922858666 0.50000000000000 6.941 > 21 50 Li 0.50000000000000 0.34197922858666 0.50000000000000 6.941 > 21 51 Li 0.00000000000000 0.65802077141334 0.50000000000000 6.941 > 23 52 Li 0.50000000000000 0.65802077141334 0.50000000000000 6.941 > 23 53 Li 0.00000000000000 0.64508592155402 0.76962547911951 6.941 > 25 54 Li 0.50000000000000 0.64508592155402 0.76962547911951 6.941 > 25 55 Li 0.25000000000000 0.85491407844598 0.73037452088049 6.941 > 27 56 Li 0.75000000000000 0.85491407844598 0.73037452088049 6.941 > 27 57 Li 0.25000000000000 0.14508592155402 0.73037452088049 6.941 > 29 58 Li 0.75000000000000 0.14508592155402 0.73037452088049 6.941 > 29 59 Li 0.00000000000000 0.35491407844598 0.76962547911951 6.941 > 31 60 Li 0.50000000000000 0.35491407844598 0.76962547911951 6.941 > 31 61 Li 0.36394613665667 0.84273439260220 0.86588253102555 6.941 > 33 62 Li 0.86394613665667 0.84273439260220 0.86588253102555 6.941 > 33 63 Li 0.11394613665667 0.65726560739780 0.63411746897445 6.941 > 35 64 Li 0.61394613665667 0.65726560739780 0.63411746897445 6.941 > 35 65 Li 0.38605386334333 0.34273439260220 0.63411746897445 6.941 > 37 66 Li 0.88605386334333 0.34273439260220 0.63411746897445 6.941 > 37 67 Li 0.13605386334333 0.15726560739780 0.86588253102555 6.941 > 39 68 Li 0.63605386334333 0.15726560739780 0.86588253102555 6.941 > 39 69 Li 0.38605386334333 0.65726560739780 0.63411746897445 6.941 > 41 70 Li 0.88605386334333 0.65726560739780 0.63411746897445 6.941 > 41 71 Li 0.13605386334333 0.84273439260220 0.86588253102555 6.941 > 43 72 Li 0.63605386334333 0.84273439260220 0.86588253102555 6.941 > 43 73 Li 0.36394613665667 0.15726560739780 0.86588253102555 6.941 > 45 74 Li 0.86394613665667 0.15726560739780 0.86588253102555 6.941 > 45 75 Li 0.11394613665667 0.34273439260220 0.63411746897445 6.941 > 47 76 Li 0.61394613665667 0.34273439260220 0.63411746897445 6.941 > 47 77 O 0.39617859325457 0.50000000000000 0.24918307926832 15.999 > 77 78 O 0.89617859325457 0.50000000000000 0.24918307926832 15.999 > 77 79 O 0.14617859325457 0.00000000000000 0.25081692073168 15.999 > 79 80 O 0.64617859325457 0.00000000000000 0.25081692073168 15.999 > 79 81 O 0.35382140674543 0.00000000000000 0.25081692073168 15.999 > 81 82 O 0.85382140674543 0.00000000000000 0.25081692073168 15.999 > 81 83 O 0.10382140674543 0.50000000000000 0.24918307926832 15.999 > 83 84 O 0.60382140674543 0.50000000000000 0.24918307926832 15.999 > 83 85 O 0.35202423702507 0.00000000000000 0.00000000000000 15.999 > 85 86 O 0.85202423702507 0.00000000000000 0.00000000000000 15.999 > 85 87 O 0.14797576297493 0.00000000000000 0.00000000000000 15.999 > 87 88 O 0.64797576297493 0.00000000000000 0.00000000000000 15.999 > 87 89 O 0.25000000000000 0.31254266770627 0.37281176533507 15.999 > 89 90 O 0.75000000000000 0.31254266770627 0.37281176533507 15.999 > 89 91 O 0.00000000000000 0.18745733229372 0.12718823466493 15.999 > 91 92 O 0.50000000000000 0.18745733229372 0.12718823466493 15.999 > 91 93 O 0.00000000000000 0.81254266770628 0.12718823466493 15.999 > 93 94 O 0.50000000000000 0.81254266770628 0.12718823466493 15.999 > 93 95 O 0.25000000000000 0.68745733229372 0.37281176533507 15.999 > 95 96 O 0.75000000000000 0.68745733229372 0.37281176533507 15.999 > 95 97 O 0.25000000000000 0.28340394751056 0.12722270825191 15.999 > 97 98 O 0.75000000000000 0.28340394751056 0.12722270825191 15.999 > 97 99 O 0.00000000000000 0.21659605248944 0.37277729174809 15.999 > 99 100 O 0.50000000000000 0.21659605248944 0.37277729174809 15.999 > 99 101 O 0.00000000000000 0.78340394751056 0.37277729174809 15.999 > 101 102 O 0.50000000000000 0.78340394751056 0.37277729174809 15.999 > 101 103 O 0.25000000000000 0.71659605248944 0.12722270825191 15.999 > 103 104 O 0.75000000000000 0.71659605248944 0.12722270825191 15.999 > 103 105 O 0.14617859325457 0.00000000000000 0.74918307926832 15.999 > 77 106 O 0.64617859325457 0.00000000000000 0.74918307926832 15.999 > 77 107 O 0.39617859325457 0.50000000000000 0.75081692073168 15.999 > 79 108 O 0.89617859325457 0.50000000000000 0.75081692073168 15.999 > 79 109 O 0.10382140674543 0.50000000000000 0.75081692073168 15.999 > 81 110 O 0.60382140674543 0.50000000000000 0.75081692073168 15.999 > 81 111 O 0.35382140674543 0.00000000000000 0.74918307926832 15.999 > 83 112 O 0.85382140674543 0.00000000000000 0.74918307926832 15.999 > 83 113 O 0.10202423702507 0.50000000000000 0.50000000000000 15.999 > 85 114 O 0.60202423702507 0.50000000000000 0.50000000000000 15.999 > 85 115 O 0.39797576297493 0.50000000000000 0.50000000000000 15.999 > 87 116 O 0.89797576297493 0.50000000000000 0.50000000000000 15.999 > 87 117 O 0.00000000000000 0.81254266770628 0.87281176533507 15.999 > 89 118 O 0.50000000000000 0.81254266770628 0.87281176533507 15.999 > 89 119 O 0.25000000000000 0.68745733229372 0.62718823466493 15.999 > 91 120 O 0.75000000000000 0.68745733229372 0.62718823466493 15.999 > 91 121 O 0.25000000000000 0.31254266770627 0.62718823466493 15.999 > 93 122 O 0.75000000000000 0.31254266770627 0.62718823466493 15.999 > 93 123 O 0.00000000000000 0.18745733229372 0.87281176533507 15.999 > 95 124 O 0.50000000000000 0.18745733229372 0.87281176533507 15.999 > 95 125 O 0.00000000000000 0.78340394751056 0.62722270825191 15.999 > 97 126 O 0.50000000000000 0.78340394751056 0.62722270825191 15.999 > 97 127 O 0.25000000000000 0.71659605248944 0.87277729174809 15.999 > 99 128 O 0.75000000000000 0.71659605248944 0.87277729174809 15.999 > 99 129 O 0.25000000000000 0.28340394751056 0.87277729174809 15.999 > 101 130 O 0.75000000000000 0.28340394751056 0.87277729174809 15.999 > 101 131 O 0.00000000000000 0.21659605248944 0.62722270825191 15.999 > 103 132 O 0.50000000000000 0.21659605248944 0.62722270825191 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7519334 0.0000000 0.0000000 0.0000000 3.5315452 0.0000000 0.0000000 0.0000000 3.7993297 -------------------------- Born effective charges -------------------------- 1 Pb 3.2519626 0.0000000 0.0000000 0.0000000 3.1362051 0.0000000 0.0000000 0.0000000 3.8411572 2 Pb 3.2519626 0.0000000 0.0000000 0.0000000 3.1362051 0.0000000 0.0000000 0.0000000 3.8411572 3 Pb 3.4176888 0.0000000 0.0000000 0.0000000 2.3918024 0.0000000 0.0000000 0.0000000 4.6104452 4 K 1.0830567 0.0000000 0.0000000 0.0000000 1.2334566 0.0000000 0.0000000 0.0000000 1.4239138 5 K 1.0830567 0.0000000 0.0000000 0.0000000 1.2334566 0.0000000 0.0000000 0.0000000 1.4239138 6 Li 1.0838185 0.0000000 0.0000000 0.0000000 1.0594138 0.0000000 0.0000000 0.0000000 1.2344647 7 Li 1.0838185 0.0000000 0.0000000 0.0000000 1.0594138 0.0000000 0.0000000 0.0000000 1.2344647 8 Li 1.1631889 0.0000000 0.0000000 0.0000000 1.1802357 0.1088504 0.0000000 0.1723316 0.7510456 9 Li 1.1631889 0.0000000 0.0000000 0.0000000 1.1802357 0.1088504 0.0000000 0.1723316 0.7510456 10 Li 1.1631889 0.0000000 0.0000000 0.0000000 1.1802357 -0.1088504 0.0000000 -0.1723316 0.7510456 11 Li 1.1631889 0.0000000 0.0000000 0.0000000 1.1802357 -0.1088504 0.0000000 -0.1723316 0.7510456 12 Li 0.9632728 0.2653316 -0.0235495 0.3382686 0.9313917 0.0619727 0.1166840 0.1146102 0.9067456 13 Li 0.9632728 -0.2653316 0.0235495 -0.3382686 0.9313917 0.0619727 -0.1166840 0.1146102 0.9067456 14 Li 0.9632728 -0.2653316 -0.0235495 -0.3382686 0.9313917 -0.0619727 0.1166840 -0.1146102 0.9067456 15 Li 0.9632728 0.2653316 0.0235495 0.3382686 0.9313917 -0.0619727 -0.1166840 -0.1146102 0.9067456 16 Li 0.9632728 0.2653316 -0.0235495 0.3382686 0.9313917 0.0619727 0.1166840 0.1146102 0.9067456 17 Li 0.9632728 -0.2653316 0.0235495 -0.3382686 0.9313917 0.0619727 -0.1166840 0.1146102 0.9067456 18 Li 0.9632728 -0.2653316 -0.0235495 -0.3382686 0.9313917 -0.0619727 0.1166840 -0.1146102 0.9067456 19 Li 0.9632728 0.2653316 0.0235495 0.3382686 0.9313917 -0.0619727 -0.1166840 -0.1146102 0.9067456 20 O -2.3971669 0.0000000 0.0048408 0.0000000 -1.6745944 0.0000000 0.1626924 0.0000000 -1.4893553 21 O -2.3971669 0.0000000 -0.0048408 0.0000000 -1.6745944 0.0000000 -0.1626924 0.0000000 -1.4893553 22 O -2.3971669 0.0000000 0.0048408 0.0000000 -1.6745944 0.0000000 0.1626924 0.0000000 -1.4893553 23 O -2.3971669 0.0000000 -0.0048408 0.0000000 -1.6745944 0.0000000 -0.1626924 0.0000000 -1.4893553 24 O -2.3686595 0.0000000 0.0000000 0.0000000 -1.5854335 0.0000000 0.0000000 0.0000000 -1.8890973 25 O -2.3686595 0.0000000 0.0000000 0.0000000 -1.5854335 0.0000000 0.0000000 0.0000000 -1.8890973 26 O -1.4857671 0.0000000 0.0000000 0.0000000 -1.7983165 -0.1875267 0.0000000 -0.1958482 -2.4464063 27 O -1.4857671 0.0000000 0.0000000 0.0000000 -1.7983165 -0.1875267 0.0000000 -0.1958482 -2.4464063 28 O -1.4857671 0.0000000 0.0000000 0.0000000 -1.7983165 0.1875267 0.0000000 0.1958482 -2.4464063 29 O -1.4857671 0.0000000 0.0000000 0.0000000 -1.7983165 0.1875267 0.0000000 0.1958482 -2.4464063 30 O -1.5863119 0.0000000 0.0000000 0.0000000 -2.0898798 -0.4389421 0.0000000 -0.5043367 -2.0866057 31 O -1.5863119 0.0000000 0.0000000 0.0000000 -2.0898798 -0.4389421 0.0000000 -0.5043367 -2.0866057 32 O -1.5863119 0.0000000 0.0000000 0.0000000 -2.0898798 0.4389421 0.0000000 0.5043367 -2.0866057 33 O -1.5863119 0.0000000 0.0000000 0.0000000 -2.0898798 0.4389421 0.0000000 0.5043367 -2.0866057 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 2 168 ] Grid generation matrix: [ 0 7 7 ] [ 6 0 6 ] [ 4 4 0 ] 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: 0.58, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 0.000) 0.000 6.772 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 7.042 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.273 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 7.509 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 7.955 ( 0.000 0.000 0.000) 0.000 8.154 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 9.050 ( 0.000 0.000 0.000) 0.000 9.314 ( 0.000 0.000 0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 9.551 ( 0.000 0.000 0.000) 0.000 9.799 ( 0.000 0.000 0.000) 0.000 9.806 ( 0.000 0.000 0.000) 0.000 10.255 ( 0.000 0.000 0.000) 0.000 10.314 ( 0.000 0.000 0.000) 0.000 10.404 ( 0.000 0.000 0.000) 0.000 10.581 ( 0.000 0.000 0.000) 0.000 11.331 ( 0.000 0.000 0.000) 0.000 11.527 ( 0.000 0.000 0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.771 ( 0.000 0.000 0.000) 0.000 12.037 ( 0.000 0.000 0.000) 0.000 12.056 ( 0.000 0.000 0.000) 0.000 12.279 ( 0.000 0.000 0.000) 0.000 12.593 ( 0.000 0.000 0.000) 0.000 12.807 ( 0.000 0.000 0.000) 0.000 12.949 ( 0.000 0.000 0.000) 0.000 13.108 ( 0.000 0.000 0.000) 0.000 13.169 ( 0.000 0.000 0.000) 0.000 13.170 ( 0.000 0.000 0.000) 0.000 13.686 ( 0.000 0.000 0.000) 0.000 13.804 ( 0.000 0.000 0.000) 0.000 13.805 ( 0.000 0.000 0.000) 0.000 13.922 ( 0.000 0.000 0.000) 0.000 14.051 ( 0.000 0.000 0.000) 0.000 14.538 ( 0.000 0.000 0.000) 0.000 14.822 ( 0.000 0.000 0.000) 0.000 14.949 ( 0.000 0.000 0.000) 0.000 15.049 ( 0.000 0.000 0.000) 0.000 15.095 ( 0.000 0.000 0.000) 0.000 15.102 ( 0.000 0.000 0.000) 0.000 15.173 ( 0.000 0.000 0.000) 0.000 15.241 ( 0.000 0.000 0.000) 0.000 15.320 ( 0.000 0.000 0.000) 0.000 15.382 ( 0.000 0.000 0.000) 0.000 15.582 ( 0.000 0.000 0.000) 0.000 15.650 ( 0.000 0.000 0.000) 0.000 15.953 ( 0.000 0.000 0.000) 0.000 15.973 ( 0.000 0.000 0.000) 0.000 16.098 ( 0.000 0.000 0.000) 0.000 16.470 ( 0.000 0.000 0.000) 0.000 16.549 ( 0.000 0.000 0.000) 0.000 16.829 ( 0.000 0.000 0.000) 0.000 16.832 ( 0.000 0.000 0.000) 0.000 16.887 ( 0.000 0.000 0.000) 0.000 16.935 ( 0.000 0.000 0.000) 0.000 16.954 ( 0.000 0.000 0.000) 0.000 17.091 ( 0.000 0.000 0.000) 0.000 17.581 ( 0.000 0.000 0.000) 0.000 17.619 ( 0.000 0.000 0.000) 0.000 17.661 ( 0.000 0.000 0.000) 0.000 18.007 ( 0.000 0.000 0.000) 0.000 18.291 ( 0.000 0.000 0.000) 0.000 18.935 ( 0.000 0.000 0.000) 0.000 20.074 ( 0.000 0.000 0.000) 0.000 20.515 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.000 -0.000 -0.000) 0.000 1.641 ( 0.000 -0.000 0.000) 0.000 1.752 ( 0.000 -0.000 -0.000) 0.000 2.090 ( 0.000 -0.000 -0.000) 0.000 2.162 ( 0.000 -0.000 0.000) 0.000 2.501 ( 0.000 -0.000 -0.000) 0.000 2.563 ( 0.000 -0.000 -0.000) 0.000 2.733 ( 0.000 -0.000 0.000) 0.000 2.781 ( 0.000 -0.000 -0.000) 0.000 2.843 ( -0.000 0.000 -0.000) 0.000 2.986 ( 0.000 -0.000 0.000) 0.000 3.335 ( 0.000 -0.000 -0.000) 0.000 3.452 ( 0.000 -0.000 -0.000) 0.000 3.713 ( 0.000 -0.000 0.000) 0.000 4.244 ( 0.000 -0.000 -0.000) 0.000 4.757 ( 0.000 -0.000 0.000) 0.000 4.797 ( 0.000 -0.000 -0.000) 0.000 5.227 ( 0.000 -0.000 -0.000) 0.000 5.268 ( -0.000 -0.000 -0.000) 0.000 5.707 ( 0.000 -0.000 -0.000) 0.000 5.935 ( -0.000 0.000 -0.000) 0.000 6.267 ( 0.000 -0.000 0.000) 0.000 6.542 ( 0.000 -0.000 -0.000) 0.000 6.691 ( 0.000 -0.000 -0.000) 0.000 6.752 ( 0.000 -0.000 0.000) 0.000 6.941 ( -0.000 0.000 -0.000) 0.000 7.000 ( 0.000 -0.000 -0.000) 0.000 7.038 ( -0.000 0.000 -0.000) 0.000 7.226 ( 0.000 -0.000 -0.000) 0.000 7.271 ( -0.000 0.000 -0.000) 0.000 7.285 ( 0.000 -0.000 -0.000) 0.000 7.335 ( 0.000 -0.000 0.000) 0.000 7.510 ( 0.000 -0.000 -0.000) 0.000 7.584 ( -0.000 0.000 -0.000) 0.000 8.149 ( 0.000 -0.000 0.000) 0.000 8.207 ( 0.000 -0.000 -0.000) 0.000 8.406 ( 0.000 -0.000 -0.000) 0.000 8.578 ( 0.000 -0.000 -0.000) 0.000 8.834 ( 0.000 -0.000 -0.000) 0.000 8.864 ( 0.000 -0.000 -0.000) 0.000 9.227 ( 0.000 -0.000 0.000) 0.000 9.317 ( -0.000 -0.000 -0.000) 0.000 9.348 ( 0.000 -0.000 0.000) 0.000 9.749 ( 0.000 -0.000 -0.000) 0.000 9.873 ( -0.000 0.000 0.000) 0.000 9.905 ( 0.000 -0.000 -0.000) 0.000 10.524 ( 0.000 -0.000 -0.000) 0.000 10.596 ( 0.000 -0.000 -0.000) 0.000 10.964 ( 0.000 -0.000 0.000) 0.000 11.171 ( 0.000 -0.000 -0.000) 0.000 11.222 ( -0.000 0.000 0.000) 0.000 11.348 ( -0.000 -0.000 -0.000) 0.000 11.616 ( 0.000 -0.000 -0.000) 0.000 11.908 ( 0.000 -0.000 -0.000) 0.000 11.920 ( 0.000 -0.000 -0.000) 0.000 12.136 ( -0.000 -0.000 -0.000) 0.000 12.305 ( 0.000 -0.000 -0.000) 0.000 12.487 ( 0.000 -0.000 -0.000) 0.000 12.878 ( 0.000 -0.000 -0.000) 0.000 12.897 ( 0.000 -0.000 -0.000) 0.000 12.910 ( 0.000 -0.000 -0.000) 0.000 13.300 ( 0.000 -0.000 0.000) 0.000 13.301 ( -0.000 0.000 -0.000) 0.000 13.386 ( 0.000 -0.000 -0.000) 0.000 13.876 ( 0.000 -0.000 -0.000) 0.000 13.910 ( 0.000 -0.000 -0.000) 0.000 14.033 ( 0.000 -0.000 -0.000) 0.000 14.504 ( 0.000 -0.000 -0.000) 0.000 14.542 ( 0.000 -0.000 0.000) 0.000 14.689 ( 0.000 -0.000 -0.000) 0.000 14.761 ( 0.000 -0.000 -0.000) 0.000 14.818 ( 0.000 -0.000 0.000) 0.000 15.040 ( 0.000 -0.000 -0.000) 0.000 15.114 ( 0.000 -0.000 -0.000) 0.000 15.243 ( 0.000 -0.000 -0.000) 0.000 15.251 ( 0.000 -0.000 -0.000) 0.000 15.258 ( -0.000 0.000 0.000) 0.000 15.548 ( 0.000 -0.000 -0.000) 0.000 15.650 ( 0.000 -0.000 0.000) 0.000 15.862 ( 0.000 -0.000 -0.000) 0.000 15.973 ( 0.000 -0.000 -0.000) 0.000 16.158 ( 0.000 -0.000 -0.000) 0.000 16.363 ( 0.000 -0.000 -0.000) 0.000 16.523 ( 0.000 -0.000 -0.000) 0.000 16.704 ( 0.000 -0.000 -0.000) 0.000 16.867 ( 0.000 -0.000 0.000) 0.000 16.954 ( -0.000 -0.000 -0.000) 0.000 16.998 ( -0.000 -0.000 -0.000) 0.000 17.070 ( -0.000 -0.000 -0.000) 0.000 17.175 ( 0.000 -0.000 0.000) 0.000 17.290 ( 0.000 -0.000 -0.000) 0.000 17.710 ( -0.000 -0.000 -0.000) 0.000 17.831 ( 0.000 -0.000 0.000) 0.000 18.133 ( 0.000 -0.000 -0.000) 0.000 18.630 ( 0.000 -0.000 -0.000) 0.000 19.036 ( 0.000 -0.000 0.000) 0.000 19.143 ( 0.000 0.000 0.000) 0.000 19.952 ( 0.000 -0.000 -0.000) 0.000 20.484 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 3 (3/72) ======================= q-point: ( 0.17 -0.42 -0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -13.871 17.321 -3.420) 22.453 1.773 ( -14.407 3.961 -7.631) 16.777 1.983 ( -8.628 -2.196 -2.931) 9.373 2.245 ( 0.122 -0.682 0.888) 1.127 2.272 ( -1.589 0.685 -0.703) 1.867 2.419 ( 2.471 -1.792 4.599) 5.520 2.622 ( 0.582 1.849 3.282) 3.812 2.732 ( 7.357 2.302 0.984) 7.771 2.752 ( -13.313 0.261 -0.787) 13.338 2.871 ( -4.922 3.670 0.107) 6.141 3.254 ( 4.468 3.193 -3.510) 6.518 3.313 ( 1.560 -1.050 -7.281) 7.520 3.393 ( 0.494 -2.852 -0.012) 2.895 3.636 ( -2.798 -7.296 3.930) 8.746 4.145 ( 4.200 -2.818 -2.100) 5.477 4.368 ( -0.760 7.140 1.238) 7.286 4.434 ( -5.401 7.522 2.515) 9.596 5.115 ( 3.894 0.428 -14.074) 14.609 5.545 ( 2.135 -4.912 -3.012) 6.145 5.751 ( 2.470 -3.018 1.185) 4.076 6.003 ( -3.572 6.226 9.366) 11.800 6.037 ( 9.063 -0.024 3.095) 9.577 6.370 ( 0.067 4.252 1.137) 4.402 6.463 ( 1.121 0.852 4.332) 4.555 6.579 ( 2.103 -0.143 2.126) 2.994 6.912 ( 10.084 3.772 -2.565) 11.067 6.933 ( -6.722 2.303 5.009) 8.694 7.038 ( 0.533 -8.758 -2.726) 9.188 7.410 ( -3.156 -7.385 -3.253) 8.665 7.528 ( -4.663 -7.244 -8.495) 12.099 7.617 ( -6.040 4.427 -6.940) 10.210 7.676 ( -8.350 -2.485 -1.501) 8.840 7.779 ( 1.931 3.710 0.843) 4.267 7.979 ( 2.140 1.071 -1.337) 2.741 8.347 ( -0.712 -2.780 5.040) 5.800 8.449 ( -0.962 -9.848 2.701) 10.256 8.526 ( 7.847 -3.872 5.355) 10.258 8.654 ( -2.134 -7.764 0.975) 8.111 8.862 ( -3.809 -2.179 -0.577) 4.426 9.059 ( -11.347 1.672 -4.318) 12.255 9.260 ( -7.892 -0.223 4.094) 8.893 9.352 ( 7.787 -4.748 5.345) 10.571 9.432 ( -0.311 0.976 -7.089) 7.163 9.618 ( 0.864 2.214 -5.268) 5.779 9.803 ( -8.914 10.523 -1.056) 13.832 9.931 ( 5.094 -1.610 2.127) 5.750 10.044 ( 5.063 12.175 2.085) 13.349 10.248 ( 6.309 1.909 0.849) 6.646 10.272 ( -12.855 5.506 -3.754) 14.479 10.821 ( -2.102 4.889 8.247) 9.815 10.897 ( 21.058 1.577 2.607) 21.277 11.228 ( -3.669 3.475 -0.924) 5.137 11.344 ( 12.201 -3.442 -1.818) 12.807 11.477 ( 9.018 -3.013 -3.442) 10.112 11.712 ( -1.160 7.337 -1.176) 7.521 12.147 ( -1.643 -2.587 -1.240) 3.306 12.297 ( -0.335 -2.328 1.414) 2.744 12.428 ( -0.321 -0.581 1.399) 1.549 12.685 ( 1.633 -4.720 1.382) 5.182 12.852 ( 2.595 2.506 1.865) 4.061 12.963 ( -4.087 2.124 -2.136) 5.078 13.440 ( -6.783 -1.963 -3.754) 7.997 13.581 ( -0.591 -2.849 -0.168) 2.915 13.689 ( -2.149 -4.462 -4.706) 6.832 13.818 ( -0.190 1.794 1.697) 2.477 14.032 ( 4.047 2.190 3.782) 5.956 14.138 ( 7.073 2.615 2.059) 7.817 14.240 ( -6.983 -1.281 1.263) 7.211 14.343 ( 1.283 -2.226 3.300) 4.182 14.373 ( -4.011 1.468 -0.343) 4.285 14.501 ( 7.103 -0.749 -0.243) 7.146 14.744 ( 1.038 1.190 -0.207) 1.592 14.872 ( 6.485 -0.467 -1.767) 6.738 15.005 ( 2.543 3.392 -2.949) 5.164 15.046 ( 0.404 1.461 -1.038) 1.837 15.159 ( 1.068 -1.509 -0.618) 1.949 15.287 ( -2.202 0.138 1.311) 2.567 15.533 ( -0.505 -3.130 -2.033) 3.766 15.579 ( 0.007 -5.380 -3.151) 6.235 15.792 ( -1.064 -0.396 0.745) 1.358 15.915 ( 0.971 1.917 1.197) 2.460 15.991 ( -0.530 -3.356 1.411) 3.679 16.528 ( -1.328 -5.024 -0.826) 5.262 16.544 ( -0.234 3.283 -0.369) 3.312 16.619 ( 0.310 -0.010 -1.095) 1.138 16.793 ( 0.252 -0.446 -0.368) 0.631 16.822 ( 2.894 -2.679 -3.083) 5.006 16.936 ( 0.007 1.313 2.075) 2.456 17.167 ( 3.200 5.151 11.147) 12.690 17.332 ( -5.802 -1.581 2.290) 6.435 17.412 ( -1.151 2.888 -2.458) 3.964 17.617 ( 0.374 -2.747 -6.464) 7.034 18.074 ( -3.830 18.609 -0.629) 19.009 18.255 ( 1.924 11.600 -4.257) 12.505 18.550 ( -3.459 9.389 9.969) 14.124 19.338 ( -4.701 -1.719 -5.901) 7.738 19.748 ( 6.045 -6.931 -1.921) 9.395 19.986 ( 3.995 -9.599 7.597) 12.877 20.662 ( -4.214 -15.821 -1.490) 16.441 ======================= Grid point 4 (4/72) ======================= q-point: (-0.33 0.58 -0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -0.465 8.203 1.967) 8.448 1.973 ( 2.410 1.224 5.111) 5.781 2.117 ( 0.979 -9.607 0.370) 9.664 2.146 ( -5.995 -1.335 -0.640) 6.175 2.326 ( -2.927 2.928 -5.667) 7.018 2.407 ( 3.366 -5.891 -1.360) 6.920 2.602 ( -3.756 1.654 -3.739) 5.551 2.671 ( 0.896 0.830 -1.727) 2.115 2.841 ( -7.124 1.429 1.362) 7.393 2.963 ( 0.495 -3.126 -0.187) 3.170 3.221 ( 1.560 -3.265 3.650) 5.139 3.226 ( -2.855 -1.671 5.878) 6.745 3.499 ( 2.240 -1.819 -3.393) 4.454 3.634 ( 3.167 0.314 -2.317) 3.937 4.025 ( 0.312 3.148 0.422) 3.192 4.542 ( -0.598 -8.928 0.948) 8.998 4.680 ( 5.169 -4.352 -2.873) 7.342 5.094 ( -0.937 0.123 11.450) 11.489 5.381 ( -0.210 7.057 1.403) 7.198 5.746 ( 3.623 -1.206 0.057) 3.819 5.909 ( -5.975 -3.285 1.349) 6.951 6.191 ( 2.094 -2.271 -8.657) 9.192 6.409 ( 0.760 1.182 -8.391) 8.508 6.532 ( -0.833 -1.801 0.537) 2.056 6.607 ( 5.784 -4.046 -1.148) 7.152 6.704 ( -7.273 4.186 0.745) 8.425 6.883 ( -3.453 -4.563 4.185) 7.090 7.128 ( 2.987 6.659 1.094) 7.380 7.281 ( 0.664 6.639 4.405) 7.995 7.367 ( 4.279 3.749 0.475) 5.709 7.636 ( -0.894 4.972 -1.952) 5.415 7.699 ( -6.488 -2.463 4.470) 8.255 7.953 ( 2.412 1.763 -2.849) 4.128 8.029 ( 5.893 0.112 -0.720) 5.938 8.173 ( -4.810 4.887 -2.836) 7.420 8.230 ( -2.860 6.040 -0.119) 6.684 8.428 ( 1.739 0.223 3.359) 3.789 8.636 ( -8.780 4.877 -3.187) 10.537 8.717 ( 7.719 0.991 2.136) 8.070 8.969 ( -6.131 -0.094 7.000) 9.306 9.298 ( -0.828 -1.438 -6.223) 6.440 9.406 ( -7.205 -1.017 -5.470) 9.103 9.534 ( 5.624 -0.588 1.653) 5.891 9.707 ( 8.832 1.299 0.464) 8.939 9.763 ( -3.841 3.371 -0.320) 5.121 10.111 ( 1.835 -1.457 -0.681) 2.440 10.201 ( 2.399 -6.272 -0.985) 6.787 10.269 ( 7.555 -4.627 -2.595) 9.231 10.628 ( -12.660 -10.498 -2.223) 16.596 10.718 ( -7.850 -4.061 2.399) 9.159 10.819 ( 9.878 -5.899 3.340) 11.981 11.301 ( -0.609 0.833 -1.755) 2.036 11.393 ( 6.822 -1.048 0.885) 6.958 11.405 ( 18.585 3.234 1.209) 18.903 11.938 ( 3.734 -5.654 -1.681) 6.981 12.069 ( 0.014 2.780 4.200) 5.036 12.228 ( -2.819 2.482 -2.963) 4.784 12.419 ( -1.718 0.920 -0.143) 1.954 12.504 ( -2.197 3.658 2.818) 5.114 12.847 ( -0.040 -1.974 -0.441) 2.023 13.083 ( -0.106 -1.221 -3.271) 3.493 13.426 ( -0.530 5.159 -0.532) 5.214 13.521 ( 0.491 1.207 2.997) 3.269 13.674 ( -3.054 0.494 3.348) 4.559 13.839 ( -1.169 1.415 -1.223) 2.206 13.983 ( -1.299 -4.213 -0.837) 4.488 14.046 ( 1.100 1.074 2.452) 2.894 14.299 ( 5.357 2.119 -4.865) 7.540 14.334 ( -1.818 -0.821 -2.000) 2.825 14.424 ( 5.256 0.294 -2.089) 5.664 14.488 ( 0.233 0.614 -1.447) 1.589 14.711 ( -2.377 0.505 2.151) 3.245 14.868 ( 4.066 0.603 4.523) 6.112 15.047 ( -0.250 -4.406 -0.477) 4.438 15.109 ( -0.062 -2.802 1.816) 3.340 15.187 ( 3.253 -1.360 -0.532) 3.566 15.313 ( 1.629 0.072 -0.767) 1.802 15.470 ( 2.370 4.879 -0.588) 5.456 15.557 ( 9.186 4.565 2.941) 10.671 15.768 ( -4.325 0.653 -0.576) 4.412 15.915 ( -1.178 -0.858 -0.139) 1.464 16.012 ( 0.053 -3.610 -1.665) 3.976 16.363 ( -0.293 10.927 -0.308) 10.935 16.516 ( 0.332 0.785 -1.148) 1.430 16.640 ( -4.224 -1.091 -0.655) 4.412 16.745 ( 1.232 0.441 1.383) 1.904 16.806 ( 3.193 -0.269 0.398) 3.229 17.042 ( -1.097 -8.009 -2.639) 8.503 17.288 ( -3.269 -6.468 0.640) 7.275 17.305 ( -1.223 1.368 -4.117) 4.507 17.455 ( -0.519 0.869 0.816) 1.300 17.565 ( 1.619 2.345 6.070) 6.706 18.408 ( -5.375 -8.669 -1.058) 10.255 18.606 ( 4.510 -20.877 -0.004) 21.358 18.860 ( -3.948 -18.244 -4.536) 19.210 19.273 ( -10.007 2.591 9.289) 13.898 19.396 ( -10.617 9.525 1.900) 14.389 19.635 ( 0.855 13.304 -0.582) 13.344 20.423 ( 11.558 20.527 -5.502) 24.191 ======================= Grid point 5 (5/72) ======================= q-point: ( 0.35 0.15 -0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 10.776 2.715 15.266) 18.882 1.606 ( 10.274 11.026 14.898) 21.192 1.948 ( 11.438 -1.437 -3.586) 12.073 2.031 ( 1.696 4.533 -0.716) 4.893 2.214 ( -1.206 -3.422 -1.393) 3.887 2.375 ( 0.617 5.020 7.631) 9.155 2.570 ( 1.462 -1.127 2.831) 3.379 2.675 ( -3.748 5.708 -3.857) 7.842 2.740 ( 7.575 9.851 0.083) 12.427 2.867 ( -1.196 -8.699 -4.732) 9.974 3.129 ( 4.373 -2.271 -0.235) 4.934 3.321 ( -0.887 -0.916 0.355) 1.324 3.498 ( 1.108 -1.899 11.961) 12.161 3.674 ( -4.396 0.525 -6.489) 7.856 4.209 ( -5.124 -1.691 -1.922) 5.728 4.474 ( 2.011 15.947 -0.227) 16.075 4.670 ( -0.590 9.980 3.669) 10.649 5.327 ( -2.379 -6.888 6.323) 9.648 5.534 ( -5.093 -11.501 -7.897) 14.852 5.710 ( 5.528 -8.802 -2.530) 10.698 6.008 ( -4.060 0.974 1.999) 4.630 6.191 ( 0.246 -1.080 2.814) 3.024 6.480 ( -9.041 5.309 -6.965) 12.587 6.590 ( -6.119 -2.848 -5.151) 8.490 6.684 ( -2.779 3.371 -3.383) 5.525 6.830 ( -0.412 9.390 -3.217) 9.934 6.881 ( -0.270 4.536 -5.159) 6.875 7.109 ( 5.694 -4.479 0.421) 7.256 7.241 ( -0.915 -6.120 0.669) 6.225 7.332 ( 8.692 -0.219 3.206) 9.267 7.384 ( 6.051 -3.229 2.018) 7.149 7.524 ( -3.138 -11.412 9.516) 15.187 7.747 ( 16.593 -2.003 -0.403) 16.718 7.874 ( 6.085 -7.970 0.210) 10.030 7.984 ( -4.211 1.227 -1.625) 4.677 8.201 ( -3.889 -2.988 -2.508) 5.508 8.399 ( 1.703 1.076 0.343) 2.044 8.625 ( 1.385 0.710 4.283) 4.557 8.782 ( 4.019 2.613 -1.959) 5.179 8.831 ( -0.704 -1.086 0.634) 1.441 9.299 ( 2.282 1.206 0.788) 2.699 9.324 ( 2.393 1.188 -0.825) 2.796 9.533 ( 5.300 -7.442 -1.809) 9.314 9.696 ( -6.971 -3.381 2.299) 8.081 9.828 ( -4.247 -0.358 6.252) 7.567 10.006 ( 1.980 -4.451 1.079) 4.990 10.270 ( -8.231 13.561 6.160) 17.017 10.604 ( 3.660 4.872 -2.381) 6.542 10.691 ( -16.713 0.796 -6.528) 17.960 11.001 ( -10.746 4.163 7.483) 13.741 11.237 ( -5.825 -3.700 0.326) 6.908 11.441 ( -5.591 7.699 -3.624) 10.181 11.590 ( 2.798 1.548 1.090) 3.378 11.682 ( 5.268 2.297 -2.684) 6.343 12.004 ( 2.809 -2.093 -2.499) 4.303 12.235 ( -7.722 -3.179 -0.464) 8.364 12.256 ( -3.781 -1.582 1.832) 4.489 12.445 ( -1.007 2.934 1.637) 3.508 12.690 ( -13.085 1.141 -6.413) 14.616 12.867 ( 1.044 -2.578 3.131) 4.188 12.954 ( 1.360 0.024 -0.744) 1.551 13.261 ( 7.310 1.598 -2.517) 7.894 13.410 ( 4.752 0.736 -0.193) 4.813 13.591 ( -1.173 -10.549 5.916) 12.151 13.854 ( -1.634 0.642 -1.661) 2.417 13.913 ( 1.921 1.219 0.902) 2.447 14.121 ( 5.473 -1.893 3.961) 7.016 14.334 ( -0.162 8.401 -0.345) 8.409 14.497 ( -4.981 3.978 -7.167) 9.592 14.596 ( -7.368 -1.584 -1.175) 7.628 14.707 ( -12.465 -3.589 1.249) 13.032 14.825 ( -2.544 -6.454 -0.925) 6.999 15.051 ( 0.529 0.701 1.532) 1.766 15.100 ( -3.021 -0.570 -0.949) 3.217 15.204 ( -2.260 0.554 0.319) 2.349 15.268 ( -1.164 -0.000 0.478) 1.258 15.328 ( 2.741 2.134 -2.299) 4.166 15.449 ( -1.350 -2.161 3.746) 4.530 15.750 ( 6.956 1.674 0.156) 7.157 15.812 ( -7.095 -2.716 0.063) 7.597 15.927 ( -4.765 -1.345 2.651) 5.616 16.149 ( -7.828 2.492 9.878) 12.847 16.302 ( -1.024 -4.328 -4.185) 6.107 16.510 ( 0.008 1.363 0.351) 1.408 16.611 ( -3.597 0.311 -1.216) 3.810 16.858 ( 1.565 0.790 -0.867) 1.956 16.898 ( 0.734 5.067 -3.956) 6.470 17.054 ( -1.514 -1.091 3.040) 3.567 17.072 ( -0.901 1.039 0.753) 1.568 17.172 ( 1.571 0.523 -4.498) 4.793 17.282 ( 5.083 -2.059 5.018) 7.433 17.746 ( 0.670 -0.286 -2.306) 2.418 18.129 ( 1.597 1.530 4.083) 4.644 18.235 ( 24.722 -1.275 1.274) 24.787 18.540 ( 5.214 14.269 3.687) 15.633 18.968 ( 6.429 6.617 -6.482) 11.275 19.175 ( 7.075 4.802 -17.780) 19.729 19.856 ( -4.457 -3.288 -2.163) 5.946 20.653 ( -6.763 -17.347 11.169) 21.712 ======================= Grid point 6 (6/72) ======================= q-point: (-0.15 0.15 -0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 20.438 -17.301 0.000) 26.777 0.838 ( 23.312 -16.449 0.000) 28.531 1.367 ( 34.852 -23.765 0.000) 42.183 1.803 ( 4.959 -15.262 0.000) 16.047 2.122 ( 11.497 -1.866 -0.000) 11.648 2.156 ( 2.023 0.587 -0.000) 2.106 2.572 ( -6.219 -4.335 0.000) 7.581 2.637 ( -2.373 2.043 -0.000) 3.131 2.826 ( -3.480 -0.088 0.000) 3.481 2.895 ( -1.288 -7.089 0.000) 7.205 3.025 ( -0.715 -0.077 0.000) 0.719 3.351 ( 3.674 8.600 -0.000) 9.351 3.429 ( 0.943 8.937 -0.000) 8.987 3.860 ( -5.377 1.213 0.000) 5.512 4.216 ( 4.062 -9.890 0.000) 10.692 4.279 ( -0.701 0.165 0.000) 0.720 4.378 ( -2.651 -7.023 0.000) 7.506 5.130 ( -2.376 9.407 -0.000) 9.703 5.578 ( -3.619 -9.139 0.000) 9.830 5.938 ( -0.104 -3.946 0.000) 3.947 5.977 ( -3.298 18.914 -0.000) 19.199 6.428 ( -1.164 4.293 -0.000) 4.448 6.585 ( -2.502 -5.669 0.000) 6.197 6.703 ( 0.818 -3.559 0.000) 3.651 6.775 ( -10.530 -8.110 0.000) 13.291 6.875 ( 3.974 -5.065 0.000) 6.438 7.006 ( -5.948 5.648 -0.000) 8.202 7.103 ( -9.345 -0.430 0.000) 9.355 7.212 ( 3.956 -2.632 0.000) 4.752 7.235 ( 0.826 7.119 -0.000) 7.166 7.410 ( -0.027 4.059 -0.000) 4.060 7.478 ( -1.503 5.711 -0.000) 5.906 7.919 ( 22.139 2.936 -0.000) 22.333 7.961 ( 8.475 5.340 -0.000) 10.018 8.058 ( -11.076 -8.880 0.000) 14.196 8.225 ( -3.023 -1.992 0.000) 3.621 8.512 ( 5.701 4.431 -0.000) 7.220 8.526 ( 3.493 -1.922 0.000) 3.986 8.677 ( 3.489 7.598 -0.000) 8.360 9.000 ( 8.396 -0.388 -0.000) 8.405 9.118 ( -10.915 4.594 0.000) 11.843 9.230 ( 8.932 -7.893 0.000) 11.920 9.334 ( -6.031 -1.193 0.000) 6.147 9.644 ( -8.279 -12.846 0.000) 15.283 9.754 ( 11.490 5.741 -0.000) 12.845 10.078 ( 5.163 -0.501 -0.000) 5.187 10.113 ( -10.538 9.395 -0.000) 14.118 10.457 ( 2.231 -16.505 0.000) 16.655 10.477 ( -9.881 -7.673 0.000) 12.511 10.715 ( -10.321 -8.028 0.000) 13.076 11.313 ( -1.440 3.201 -0.000) 3.510 11.534 ( -0.156 -0.839 0.000) 0.853 11.536 ( -12.781 -3.292 0.000) 13.198 11.898 ( 11.130 5.687 -0.000) 12.499 11.970 ( -10.224 -2.300 0.000) 10.480 12.256 ( 8.758 0.477 -0.000) 8.771 12.299 ( -18.540 3.672 0.000) 18.900 12.425 ( 1.947 -3.284 0.000) 3.818 12.784 ( -0.579 6.673 -0.000) 6.698 12.835 ( -14.086 -1.518 0.000) 14.168 12.995 ( 0.753 -2.309 0.000) 2.429 13.201 ( 2.459 -0.701 -0.000) 2.557 13.415 ( 6.323 -1.756 -0.000) 6.562 13.606 ( 1.917 8.021 -0.000) 8.247 13.757 ( 3.069 3.542 -0.000) 4.687 13.884 ( 6.204 -1.561 -0.000) 6.398 14.078 ( 3.680 -7.005 0.000) 7.913 14.142 ( 1.575 -6.288 0.000) 6.482 14.689 ( -15.847 -11.821 0.000) 19.770 14.726 ( -8.277 3.753 0.000) 9.088 14.871 ( -5.798 1.845 0.000) 6.084 14.896 ( -6.490 8.580 -0.000) 10.758 14.977 ( -1.834 3.344 -0.000) 3.814 15.098 ( -2.755 0.337 0.000) 2.776 15.172 ( -3.363 -1.550 0.000) 3.703 15.253 ( -2.841 -8.138 0.000) 8.620 15.340 ( -1.819 3.456 -0.000) 3.905 15.425 ( 2.463 0.812 -0.000) 2.593 15.621 ( 4.166 2.886 -0.000) 5.068 15.683 ( -1.553 -4.345 0.000) 4.615 15.925 ( -2.752 5.554 -0.000) 6.198 15.950 ( 0.450 0.855 -0.000) 0.966 16.433 ( 4.036 4.055 -0.000) 5.721 16.482 ( 0.533 -0.364 0.000) 0.646 16.683 ( -2.991 3.456 -0.000) 4.570 16.870 ( 3.254 -0.159 -0.000) 3.257 16.878 ( -1.177 -4.626 0.000) 4.773 16.897 ( -3.663 -4.301 0.000) 5.649 17.032 ( 5.955 -3.576 0.000) 6.947 17.135 ( 7.195 3.110 -0.000) 7.838 17.488 ( -4.996 5.231 -0.000) 7.234 17.766 ( -3.395 -3.472 0.000) 4.856 17.797 ( 6.509 -7.159 0.000) 9.676 18.123 ( 10.297 -5.915 0.000) 11.875 18.400 ( 7.958 -4.110 0.000) 8.956 19.006 ( 5.628 -0.315 -0.000) 5.637 19.976 ( -1.911 7.072 -0.000) 7.326 20.317 ( 6.491 11.483 -0.000) 13.190 20.372 ( -4.616 9.259 -0.000) 10.346 ======================= Grid point 7 (7/72) ======================= q-point: ( 0.52 -0.27 -0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -10.044 8.307 -1.828) 13.162 1.896 ( -3.447 10.735 9.158) 14.526 2.065 ( -9.486 0.627 -2.917) 9.944 2.150 ( -4.833 -2.732 -0.348) 5.562 2.205 ( -2.955 -1.948 -0.101) 3.541 2.515 ( -8.064 -0.835 -4.019) 9.049 2.571 ( 0.274 -0.564 -5.427) 5.463 2.611 ( 4.886 -0.905 0.682) 5.016 2.726 ( -0.085 -1.562 1.475) 2.150 2.974 ( -3.141 -0.479 3.181) 4.496 3.203 ( -3.792 -2.372 0.252) 4.480 3.302 ( 0.134 -0.307 4.295) 4.308 3.457 ( -11.901 6.730 4.185) 14.299 3.656 ( 9.239 1.824 -3.242) 9.960 4.094 ( 6.428 -2.281 -3.176) 7.524 4.692 ( 2.438 0.089 2.452) 3.459 4.772 ( 4.804 7.843 -0.014) 9.198 5.055 ( -1.571 -2.265 7.513) 8.003 5.233 ( -1.991 0.897 2.915) 3.643 5.863 ( -4.445 -9.138 -0.328) 10.167 5.957 ( 4.976 3.579 -3.099) 6.868 6.211 ( 0.263 -1.104 -3.731) 3.900 6.435 ( 0.183 -3.847 -2.695) 4.700 6.471 ( 2.900 -1.321 -7.455) 8.107 6.722 ( 7.859 0.414 1.934) 8.103 6.854 ( 6.018 1.917 0.244) 6.321 6.940 ( 0.925 -3.095 2.920) 4.354 7.020 ( -0.605 -6.855 4.250) 8.088 7.194 ( -0.479 1.809 1.009) 2.127 7.330 ( -4.502 7.532 -1.319) 8.873 7.453 ( -8.415 2.869 3.690) 9.626 7.504 ( -4.648 4.062 -3.290) 6.995 7.875 ( -3.128 -0.680 -3.553) 4.782 8.044 ( -1.506 0.587 0.428) 1.672 8.084 ( -4.866 -1.612 0.746) 5.180 8.128 ( -8.739 -2.873 -0.777) 9.232 8.445 ( 2.277 -1.179 0.089) 2.565 8.611 ( 2.548 2.108 -2.435) 4.107 8.703 ( -6.317 -1.953 -0.363) 6.622 8.942 ( 4.538 2.675 8.070) 9.637 9.213 ( -0.003 -1.296 -0.887) 1.570 9.395 ( -5.798 2.086 3.163) 6.927 9.532 ( 6.853 0.728 -6.399) 9.404 9.635 ( -5.704 -1.801 -3.274) 6.819 9.890 ( 4.373 3.262 2.134) 5.858 9.939 ( -6.712 3.248 2.409) 7.836 10.323 ( 0.232 3.278 -0.239) 3.295 10.520 ( 4.749 -4.530 -3.400) 7.391 10.567 ( 4.198 -1.286 5.844) 7.309 10.916 ( 9.366 0.514 -4.240) 10.294 11.017 ( 6.003 -1.704 1.056) 6.328 11.368 ( 9.661 -0.485 -3.907) 10.432 11.525 ( 7.524 2.130 0.675) 7.849 11.826 ( 22.412 1.351 2.872) 22.636 11.936 ( -10.349 -4.895 -0.274) 11.451 12.052 ( -1.326 5.172 1.458) 5.535 12.169 ( 3.808 -1.356 -2.142) 4.574 12.428 ( 1.950 -3.501 2.753) 4.861 12.504 ( 4.127 -0.866 1.069) 4.351 12.925 ( 1.181 -1.952 -1.273) 2.613 12.980 ( -5.760 3.241 -2.455) 7.050 13.342 ( -1.443 1.052 -0.353) 1.821 13.450 ( -3.539 1.080 3.709) 5.239 13.548 ( -4.449 1.467 -0.286) 4.693 13.801 ( -2.165 -0.293 1.912) 2.903 14.017 ( -4.433 -1.402 -1.701) 4.951 14.230 ( 10.480 -2.968 4.471) 11.774 14.343 ( -3.146 1.837 -3.705) 5.196 14.391 ( 5.508 0.936 -0.831) 5.648 14.435 ( 8.374 -2.926 -3.851) 9.670 14.623 ( 4.296 -4.488 -1.600) 6.415 14.642 ( 2.490 4.165 -1.167) 4.991 14.947 ( 5.051 0.662 5.105) 7.212 15.109 ( 0.099 1.169 -0.705) 1.368 15.154 ( 1.601 -2.707 -0.459) 3.178 15.268 ( 1.436 0.865 0.079) 1.678 15.335 ( 0.202 -1.171 1.183) 1.677 15.470 ( 4.814 4.078 -1.788) 6.558 15.624 ( -0.124 2.208 0.305) 2.233 15.730 ( 11.462 1.332 4.970) 12.564 15.912 ( -0.639 -0.414 -0.445) 0.882 16.001 ( -4.676 3.885 1.255) 6.207 16.264 ( 3.431 -1.787 -4.928) 6.265 16.522 ( 0.381 0.678 -0.221) 0.808 16.615 ( -1.615 -2.099 -0.041) 2.649 16.787 ( 3.056 -2.649 1.475) 4.305 16.899 ( 5.390 0.611 -0.271) 5.431 17.107 ( -5.237 -2.606 -2.718) 6.450 17.172 ( -4.195 6.027 -4.407) 8.564 17.300 ( -5.338 -2.613 2.622) 6.496 17.381 ( -4.179 1.504 -1.235) 4.610 17.629 ( 5.357 -2.384 6.278) 8.591 18.342 ( -12.050 1.427 -3.556) 12.644 18.581 ( -17.555 5.789 5.532) 19.294 18.934 ( -12.656 5.947 1.375) 14.051 19.083 ( -3.126 -5.215 0.277) 6.087 19.304 ( -6.000 -17.914 -1.939) 18.991 19.690 ( 9.388 -7.743 3.080) 12.553 20.293 ( 13.198 14.100 -6.431) 20.356 ======================= Grid point 8 (8/72) ======================= q-point: ( 0.02 -0.27 -0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -17.274 0.000 -12.894) 21.555 1.307 ( -25.460 -0.000 -9.139) 27.051 1.789 ( -10.512 -0.000 -4.933) 11.612 2.119 ( -17.285 -0.000 -3.216) 17.581 2.274 ( 1.093 0.000 -0.652) 1.273 2.373 ( -12.798 -0.000 -3.631) 13.303 2.481 ( -19.922 -0.000 -7.496) 21.285 2.595 ( 3.001 -0.000 5.276) 6.069 2.635 ( 3.117 -0.000 5.240) 6.097 2.845 ( 5.718 0.000 -4.174) 7.079 3.158 ( 0.938 0.000 -11.709) 11.747 3.446 ( 3.712 -0.000 3.429) 5.053 3.544 ( 1.134 0.000 -0.073) 1.136 3.741 ( 3.554 -0.000 3.162) 4.757 4.202 ( -7.267 -0.000 5.324) 9.009 4.252 ( 4.006 0.000 -2.993) 5.000 4.290 ( 0.161 0.000 -0.697) 0.715 5.256 ( 8.311 0.000 -12.843) 15.298 5.602 ( 4.419 0.000 -10.663) 11.542 5.794 ( -2.948 -0.000 13.612) 13.928 6.053 ( 10.214 0.000 -0.959) 10.259 6.255 ( 13.068 0.000 4.487) 13.817 6.366 ( 6.348 -0.000 4.446) 7.750 6.548 ( -3.860 -0.000 7.924) 8.814 6.552 ( 5.534 0.000 0.354) 5.545 6.791 ( -2.730 -0.000 4.718) 5.451 7.088 ( 10.637 0.000 -2.142) 10.850 7.161 ( -3.736 0.000 -8.372) 9.168 7.225 ( -10.564 0.000 -6.179) 12.239 7.424 ( -5.677 -0.000 -1.342) 5.833 7.555 ( -4.905 0.000 -3.136) 5.822 7.562 ( -5.059 -0.000 -2.278) 5.549 7.820 ( 4.539 0.000 -4.502) 6.393 8.039 ( 5.576 0.000 -1.614) 5.805 8.240 ( -16.911 -0.000 8.904) 19.111 8.457 ( -3.005 -0.000 7.200) 7.802 8.555 ( -19.296 -0.000 -5.597) 20.091 8.824 ( -2.242 0.000 -8.926) 9.203 8.847 ( 13.200 0.000 4.665) 14.000 9.028 ( -2.883 -0.000 7.316) 7.863 9.100 ( -12.416 -0.000 -1.775) 12.543 9.151 ( 10.930 0.000 -6.987) 12.973 9.447 ( -16.996 -0.000 -2.707) 17.210 9.498 ( 5.086 0.000 -14.143) 15.030 9.858 ( 5.785 -0.000 5.479) 7.967 9.946 ( 1.751 0.000 0.374) 1.791 10.070 ( 8.535 -0.000 4.480) 9.639 10.116 ( 7.951 0.000 -4.955) 9.369 10.503 ( 14.260 0.000 -2.478) 14.474 10.556 ( -13.129 -0.000 3.539) 13.598 11.173 ( 4.744 -0.000 5.701) 7.417 11.263 ( 11.547 0.000 2.160) 11.748 11.567 ( -1.097 0.000 -3.385) 3.559 11.704 ( 11.652 0.000 4.504) 12.492 11.851 ( 20.341 0.000 -4.530) 20.839 12.124 ( 0.070 0.000 -1.040) 1.042 12.312 ( -0.549 0.000 -0.870) 1.028 12.506 ( 8.392 -0.000 4.422) 9.485 12.541 ( -13.939 -0.000 4.236) 14.568 12.874 ( 2.594 -0.000 1.598) 3.047 12.979 ( 1.791 0.000 -5.779) 6.050 13.323 ( -6.060 0.000 -5.178) 7.971 13.538 ( -5.589 -0.000 -1.360) 5.753 13.745 ( 1.134 -0.000 0.801) 1.388 13.811 ( 0.435 0.000 -1.866) 1.916 13.995 ( -9.630 -0.000 3.692) 10.314 14.073 ( 0.570 -0.000 0.561) 0.800 14.207 ( -6.171 0.000 -5.760) 8.442 14.258 ( 7.684 -0.000 4.390) 8.850 14.516 ( 10.170 0.000 4.282) 11.035 14.759 ( 12.359 0.000 -4.756) 13.242 14.790 ( 6.151 -0.000 5.891) 8.517 14.996 ( 2.292 0.000 -0.984) 2.494 15.033 ( 1.255 0.000 -1.819) 2.210 15.062 ( 6.868 0.000 -0.529) 6.888 15.209 ( -4.431 -0.000 0.836) 4.509 15.288 ( 7.693 0.000 -3.269) 8.358 15.538 ( -2.979 0.000 -3.278) 4.430 15.627 ( -1.030 0.000 -2.620) 2.815 15.831 ( 3.095 0.000 -3.941) 5.011 15.905 ( 0.057 -0.000 4.484) 4.485 16.066 ( -1.800 -0.000 0.625) 1.905 16.523 ( 9.480 0.000 -0.941) 9.527 16.533 ( -3.728 0.000 -1.866) 4.169 16.662 ( -2.088 -0.000 -0.291) 2.108 16.747 ( 1.006 -0.000 2.560) 2.751 16.828 ( -1.717 -0.000 0.524) 1.795 17.061 ( -1.616 0.000 -3.300) 3.675 17.136 ( -5.049 -0.000 -0.904) 5.129 17.226 ( 2.122 -0.000 12.178) 12.361 17.334 ( -1.864 -0.000 0.643) 1.972 17.603 ( -1.269 0.000 -3.301) 3.537 17.787 ( -3.633 -0.000 -1.738) 4.027 18.120 ( -0.259 0.000 -6.858) 6.863 18.362 ( -6.129 -0.000 9.986) 11.717 19.215 ( -9.097 -0.000 -4.118) 9.986 19.888 ( -2.333 -0.000 8.731) 9.037 20.073 ( -4.732 -0.000 13.953) 14.734 20.853 ( 4.705 0.000 -8.746) 9.931 ======================= Grid point 9 (9/72) ======================= q-point: (-0.31 0.31 -0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 13.915 -9.311 0.000) 16.743 1.534 ( 14.545 -12.044 0.000) 18.884 2.065 ( 9.100 -2.444 -0.000) 9.423 2.135 ( 8.800 -9.873 0.000) 13.226 2.180 ( 2.058 1.667 -0.000) 2.648 2.532 ( -4.111 -4.350 0.000) 5.985 2.602 ( 8.114 -2.913 -0.000) 8.621 2.607 ( 2.936 -0.057 -0.000) 2.937 2.881 ( 4.139 -4.362 0.000) 6.013 2.887 ( -4.119 7.720 -0.000) 8.750 3.142 ( 11.141 -10.236 0.000) 15.129 3.227 ( 1.221 0.467 -0.000) 1.307 3.319 ( 3.753 5.816 -0.000) 6.922 3.675 ( -10.332 0.600 0.000) 10.349 4.187 ( -6.038 2.312 0.000) 6.466 4.505 ( 1.364 -11.016 0.000) 11.100 4.544 ( -0.261 -8.846 0.000) 8.850 4.997 ( 1.143 2.102 -0.000) 2.392 5.410 ( -3.326 13.062 -0.000) 13.479 5.820 ( -2.404 -7.001 0.000) 7.403 6.020 ( 3.128 2.202 -0.000) 3.826 6.337 ( 0.777 1.355 -0.000) 1.562 6.508 ( -10.789 -1.895 0.000) 10.954 6.624 ( -8.657 -2.626 0.000) 9.047 6.694 ( -5.125 7.364 -0.000) 8.972 6.834 ( -3.175 -4.118 0.000) 5.200 6.989 ( 5.367 9.393 -0.000) 10.818 7.140 ( -0.180 8.614 -0.000) 8.616 7.175 ( 2.079 -8.080 0.000) 8.343 7.213 ( -8.955 1.270 0.000) 9.045 7.307 ( 14.618 -1.712 -0.000) 14.718 7.520 ( 5.657 1.519 -0.000) 5.857 7.993 ( 8.822 7.382 -0.000) 11.503 8.022 ( -5.575 -4.456 0.000) 7.137 8.085 ( -4.455 2.539 -0.000) 5.128 8.224 ( 13.519 3.692 -0.000) 14.014 8.527 ( -1.203 5.761 -0.000) 5.885 8.670 ( 9.819 -1.431 -0.000) 9.923 8.679 ( 5.378 1.199 -0.000) 5.511 8.823 ( -7.953 1.627 0.000) 8.118 9.233 ( 6.972 -4.805 0.000) 8.468 9.289 ( 1.610 0.442 -0.000) 1.670 9.627 ( -13.605 3.346 0.000) 14.011 9.641 ( 6.981 -10.745 0.000) 12.814 9.820 ( 5.701 8.401 -0.000) 10.153 9.846 ( 2.097 -4.587 0.000) 5.044 10.183 ( 1.709 -11.629 0.000) 11.754 10.441 ( -6.419 -2.765 0.000) 6.989 10.606 ( -12.560 -2.874 0.000) 12.885 10.840 ( 6.612 -7.999 0.000) 10.378 11.126 ( -7.128 6.034 -0.000) 9.339 11.387 ( -10.001 -4.903 0.000) 11.138 11.492 ( -6.492 1.866 0.000) 6.754 11.771 ( -22.383 -0.832 0.000) 22.399 11.902 ( -8.022 -4.757 0.000) 9.326 12.035 ( 10.809 1.988 -0.000) 10.990 12.237 ( -5.180 3.855 -0.000) 6.457 12.457 ( -3.414 -1.566 0.000) 3.756 12.579 ( -1.316 9.513 -0.000) 9.604 12.895 ( 8.453 -6.342 0.000) 10.568 12.984 ( -3.307 0.540 0.000) 3.350 13.290 ( 3.445 -1.963 0.000) 3.965 13.479 ( 1.772 6.606 -0.000) 6.840 13.519 ( 3.239 -1.077 -0.000) 3.413 13.798 ( 4.775 1.102 -0.000) 4.901 14.063 ( 8.683 0.345 -0.000) 8.690 14.242 ( -8.199 -2.316 0.000) 8.520 14.287 ( 3.867 -4.807 0.000) 6.170 14.366 ( -12.206 2.209 0.000) 12.405 14.636 ( -0.130 2.774 -0.000) 2.777 14.642 ( -7.889 5.428 -0.000) 9.576 14.664 ( -9.675 -2.329 0.000) 9.951 14.867 ( -4.834 0.478 0.000) 4.857 15.068 ( -1.334 -2.718 0.000) 3.027 15.173 ( -1.348 -1.622 0.000) 2.109 15.236 ( -4.768 -0.841 0.000) 4.841 15.343 ( -0.882 -3.281 0.000) 3.398 15.406 ( -2.322 1.054 0.000) 2.550 15.557 ( -10.153 -0.672 0.000) 10.175 15.679 ( 5.535 1.697 -0.000) 5.789 15.934 ( 6.187 -1.030 -0.000) 6.272 15.936 ( 0.378 0.954 -0.000) 1.027 16.373 ( -1.663 3.966 -0.000) 4.300 16.502 ( 0.233 -0.842 0.000) 0.873 16.653 ( 2.597 0.968 -0.000) 2.771 16.849 ( -5.300 2.611 -0.000) 5.908 16.877 ( -4.580 -1.537 0.000) 4.831 17.057 ( 4.137 -8.554 0.000) 9.502 17.220 ( 6.820 -1.274 -0.000) 6.938 17.228 ( 8.260 2.547 -0.000) 8.644 17.386 ( -0.260 -1.398 0.000) 1.422 17.614 ( -8.355 2.603 0.000) 8.751 18.211 ( 13.321 -13.590 0.000) 19.030 18.415 ( 6.744 -4.253 0.000) 7.973 18.773 ( 12.797 -7.868 0.000) 15.022 19.121 ( 5.051 0.155 -0.000) 5.054 19.732 ( -0.813 12.789 -0.000) 12.815 19.960 ( -9.080 16.344 -0.000) 18.697 20.178 ( -3.490 3.275 -0.000) 4.786 ======================= Grid point 10 (10/72) ======================= q-point: ( 0.19 0.31 -0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 15.343 6.931 14.358) 22.127 1.654 ( 15.632 8.006 13.632) 22.233 1.938 ( 5.423 3.232 5.637) 8.463 2.196 ( -1.124 -0.156 0.755) 1.363 2.241 ( 7.045 -1.888 -0.441) 7.307 2.419 ( 1.639 5.605 -2.109) 6.209 2.479 ( 6.087 0.074 -0.740) 6.133 2.583 ( -1.389 2.091 -4.156) 4.855 2.782 ( 9.412 3.300 9.511) 13.782 2.891 ( -7.577 -1.418 -0.066) 7.709 3.286 ( 6.612 0.078 -0.465) 6.629 3.381 ( -0.904 -5.881 -2.410) 6.420 3.508 ( -5.473 0.738 2.277) 5.973 3.585 ( -2.560 -5.516 0.891) 6.146 4.145 ( 1.053 2.539 -5.464) 6.116 4.308 ( 1.210 4.191 0.693) 4.417 4.443 ( -1.575 8.401 4.902) 9.853 5.400 ( 0.409 -1.560 -2.372) 2.869 5.543 ( -5.632 -3.432 -6.083) 8.972 5.781 ( -4.536 5.540 2.745) 7.668 5.980 ( -5.894 -9.964 1.267) 11.645 6.133 ( -8.914 5.874 -6.167) 12.329 6.327 ( 2.685 -0.788 -0.593) 2.860 6.452 ( -7.057 -1.284 2.037) 7.456 6.606 ( 0.766 4.441 -1.836) 4.867 6.725 ( 1.411 2.746 -5.475) 6.285 6.969 ( 4.011 -10.781 -2.350) 11.741 7.220 ( -10.813 2.571 4.610) 12.033 7.358 ( 6.114 -4.458 1.261) 7.671 7.461 ( 7.325 -3.061 -3.701) 8.760 7.511 ( 10.269 4.814 3.312) 11.815 7.721 ( 4.688 -4.457 11.028) 12.785 7.853 ( -0.859 -0.145 0.029) 0.872 8.057 ( 7.470 -0.914 -4.485) 8.761 8.137 ( -0.987 1.724 -1.561) 2.527 8.304 ( 1.299 -10.357 0.939) 10.480 8.578 ( 9.926 -8.454 2.236) 13.229 8.685 ( -6.875 -4.796 -2.120) 8.646 8.740 ( 3.080 -2.811 -0.332) 4.183 8.948 ( 10.069 2.297 -2.393) 10.601 9.168 ( -8.846 -1.603 11.002) 14.208 9.464 ( -1.537 -1.043 1.022) 2.120 9.620 ( 3.225 2.742 2.662) 5.001 9.678 ( 2.993 2.689 -0.453) 4.049 9.700 ( -5.391 1.432 3.976) 6.850 9.912 ( 0.920 4.056 -0.795) 4.234 10.102 ( -1.984 1.127 3.175) 3.910 10.301 ( -11.423 9.350 -1.015) 14.796 10.481 ( -0.685 5.527 -9.036) 10.614 10.622 ( -16.284 4.089 5.111) 17.550 11.109 ( -5.691 -0.273 -2.224) 6.116 11.240 ( -5.192 2.818 -1.428) 6.077 11.552 ( -7.241 -2.260 -0.008) 7.585 11.725 ( -1.844 4.711 0.391) 5.074 11.935 ( -14.254 -1.368 3.886) 14.837 12.110 ( 0.185 -1.599 -0.026) 1.610 12.292 ( -4.149 -2.735 -1.538) 5.202 12.412 ( -0.320 0.478 -0.070) 0.579 12.504 ( 6.684 2.630 -6.617) 9.766 12.852 ( -1.834 1.940 -2.452) 3.625 13.041 ( -0.759 -3.761 4.841) 6.177 13.403 ( 5.973 -2.962 3.807) 7.678 13.550 ( 7.800 -0.678 1.182) 7.918 13.690 ( -2.423 -3.847 -0.373) 4.562 13.835 ( 0.231 -1.097 1.516) 1.885 13.903 ( 1.072 1.972 -3.639) 4.276 14.128 ( 3.205 6.644 -2.119) 7.675 14.236 ( -6.177 4.879 -5.382) 9.536 14.310 ( 2.120 1.077 2.836) 3.701 14.496 ( -11.009 -4.040 5.707) 13.042 14.608 ( -6.032 -5.412 -2.137) 8.381 14.843 ( -6.759 -2.390 -0.942) 7.230 14.989 ( -2.385 1.828 0.153) 3.009 15.072 ( -4.374 0.927 -0.508) 4.500 15.081 ( -3.022 3.472 -0.650) 4.648 15.227 ( 1.238 -0.179 1.517) 1.967 15.301 ( -4.316 -4.118 2.382) 6.424 15.565 ( 2.640 -2.396 2.291) 4.238 15.721 ( -5.556 -0.205 3.881) 6.780 15.797 ( -4.964 -1.959 -0.714) 5.384 15.824 ( 3.730 2.018 -3.951) 5.796 16.024 ( -4.055 -2.400 3.568) 5.910 16.511 ( 3.070 -5.845 1.098) 6.692 16.545 ( 3.141 -4.109 1.916) 5.516 16.612 ( -0.861 -2.961 -2.319) 3.858 16.760 ( -0.413 6.493 -2.758) 7.066 16.862 ( 1.561 2.479 1.139) 3.143 16.984 ( -5.147 -4.873 -3.294) 7.816 17.041 ( -0.755 7.215 -2.175) 7.574 17.206 ( 5.458 0.322 1.193) 5.596 17.415 ( 3.591 0.336 3.971) 5.364 17.718 ( -2.809 -0.424 0.084) 2.842 18.006 ( 5.120 18.173 -1.321) 18.926 18.288 ( 2.815 11.786 -4.771) 13.023 18.360 ( 4.423 8.361 6.071) 11.239 19.212 ( 13.395 -2.660 -3.251) 14.038 19.495 ( 19.495 -6.777 -15.157) 25.607 19.915 ( -4.380 -7.332 -0.094) 8.541 20.845 ( -8.101 -14.007 8.496) 18.275 ======================= Grid point 11 (11/72) ======================= q-point: (-0.14 -0.11 -0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -20.053 -11.420 -11.067) 25.594 1.010 ( -17.622 -13.231 -16.980) 27.819 1.673 ( -17.299 -18.550 -21.359) 33.160 1.842 ( -9.103 -12.011 -6.270) 16.323 2.059 ( -10.971 1.064 3.649) 11.611 2.286 ( -6.098 -3.474 -9.498) 11.809 2.385 ( -1.355 -2.798 4.658) 5.600 2.703 ( 6.883 -1.200 7.204) 10.036 2.739 ( 3.137 -0.862 4.314) 5.403 2.963 ( 3.040 -2.297 -4.640) 6.004 3.194 ( 2.134 2.299 -6.975) 7.648 3.329 ( -4.246 7.532 -2.731) 9.067 3.439 ( -0.206 8.464 -0.009) 8.467 3.813 ( 5.191 1.200 4.527) 6.991 4.189 ( -3.044 -9.913 2.648) 10.702 4.299 ( 1.345 0.763 -1.063) 1.876 4.407 ( 2.309 -7.192 -2.700) 8.022 5.293 ( 4.466 9.089 -10.961) 14.923 5.755 ( 7.538 1.770 -8.838) 11.750 5.854 ( 1.241 -6.145 6.315) 8.899 6.019 ( 2.777 18.019 -3.624) 18.589 6.365 ( 0.445 6.066 5.084) 7.927 6.503 ( 6.137 -5.329 7.880) 11.321 6.654 ( 0.424 -6.906 4.840) 8.444 6.685 ( 12.056 -2.501 4.305) 13.044 6.805 ( -3.437 -4.523 5.796) 8.116 6.967 ( 3.996 4.858 1.366) 6.437 7.210 ( -4.574 0.036 -4.805) 6.634 7.234 ( -2.364 3.967 -0.493) 4.645 7.264 ( 0.389 -1.266 -4.620) 4.806 7.413 ( -4.633 1.700 1.285) 5.100 7.544 ( 6.364 6.406 -5.966) 10.823 7.848 ( -19.119 2.160 4.162) 19.685 7.902 ( -0.283 -2.766 3.080) 4.149 8.094 ( -8.662 4.714 -4.988) 11.052 8.253 ( 4.262 -1.689 -1.566) 4.845 8.444 ( 0.077 -0.048 5.924) 5.925 8.544 ( -7.712 5.928 -1.844) 9.901 8.768 ( -9.396 2.680 -2.217) 10.019 8.975 ( 9.621 8.642 -2.004) 13.086 9.198 ( -4.956 -1.965 -4.118) 6.736 9.238 ( 8.554 -3.811 -1.853) 9.546 9.567 ( 0.278 -5.230 -4.148) 6.682 9.655 ( 7.467 2.430 -14.071) 16.114 9.790 ( -2.291 1.074 -1.321) 2.854 10.003 ( 6.102 -0.610 4.950) 7.880 10.086 ( 1.383 3.713 1.740) 4.328 10.450 ( -7.012 -8.799 -2.825) 11.601 10.592 ( 17.900 -14.575 -2.878) 23.262 10.755 ( 7.616 -2.937 -6.516) 10.444 11.306 ( 3.636 2.924 1.159) 4.808 11.433 ( 9.677 -4.414 8.019) 13.321 11.540 ( -0.578 -0.722 -0.865) 1.266 11.788 ( -7.411 0.959 7.991) 10.941 12.033 ( 4.846 0.316 -2.785) 5.598 12.247 ( -8.316 0.507 0.173) 8.333 12.316 ( 15.654 3.278 -0.912) 16.020 12.368 ( -1.409 -3.531 2.247) 4.416 12.784 ( 14.860 -0.771 4.392) 15.515 12.865 ( -0.786 4.555 -4.468) 6.429 12.975 ( -1.151 -1.838 1.753) 2.788 13.237 ( -3.100 -0.281 -2.922) 4.269 13.398 ( -8.155 -1.312 0.819) 8.300 13.682 ( 0.497 7.861 -4.095) 8.878 13.826 ( 2.160 2.443 -4.003) 5.163 13.876 ( -3.319 -1.931 0.759) 3.914 14.102 ( -2.712 0.671 -2.256) 3.592 14.156 ( -1.616 -5.937 -2.907) 6.805 14.582 ( 11.078 -8.377 8.213) 16.135 14.685 ( 9.298 3.410 2.295) 10.166 14.838 ( 8.433 6.674 4.182) 11.539 14.924 ( 4.906 1.820 -2.757) 5.914 15.010 ( 1.343 1.742 -1.123) 2.470 15.110 ( 3.706 0.740 -1.077) 3.930 15.177 ( 0.140 -1.373 -0.510) 1.472 15.226 ( 5.537 -4.867 0.951) 7.433 15.342 ( 0.003 0.919 1.858) 2.073 15.445 ( -1.457 4.278 -4.468) 6.355 15.693 ( -2.195 -4.138 -2.896) 5.507 15.806 ( 4.418 5.906 -10.768) 13.051 15.910 ( 3.650 -0.307 1.376) 3.913 15.967 ( 1.010 2.482 -3.204) 4.176 16.427 ( -4.474 5.047 0.561) 6.767 16.484 ( -0.622 -0.473 -0.133) 0.792 16.676 ( 2.796 3.663 0.844) 4.685 16.827 ( -2.468 -1.779 2.546) 3.967 16.872 ( 4.576 -5.007 1.405) 6.927 16.955 ( -0.621 -2.553 -4.256) 5.002 17.024 ( -4.906 -1.677 -0.192) 5.188 17.191 ( -6.331 1.565 -4.695) 8.036 17.375 ( 5.728 3.398 8.811) 11.045 17.746 ( -0.296 -2.588 -0.798) 2.724 17.916 ( -2.700 -10.785 -5.449) 12.381 18.152 ( -9.400 -4.560 -2.821) 10.822 18.313 ( -5.343 -6.599 6.462) 10.670 19.007 ( -10.136 -0.767 2.163) 10.392 19.538 ( -23.372 -7.294 37.839) 45.069 19.984 ( 2.856 6.307 -0.632) 6.952 20.785 ( 6.499 16.321 -13.366) 22.074 ======================= Grid point 12 (12/72) ======================= q-point: ( 0.36 -0.11 -0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -13.462 15.151 -0.271) 20.269 1.343 ( -13.515 18.154 10.711) 25.039 1.949 ( -5.148 1.350 8.221) 9.793 2.071 ( -3.024 6.347 -1.916) 7.287 2.090 ( -6.177 6.243 3.298) 9.381 2.379 ( -5.361 0.175 -1.240) 5.506 2.447 ( -8.347 9.106 2.861) 12.680 2.712 ( 6.373 0.968 -0.023) 6.446 2.805 ( -1.643 4.833 -3.476) 6.176 2.941 ( 4.341 -7.540 -1.966) 8.920 3.140 ( -5.240 -2.448 -0.467) 5.803 3.209 ( -1.484 -1.303 12.585) 12.739 3.308 ( 0.008 -2.482 2.196) 3.314 3.798 ( 5.543 -0.290 -4.430) 7.102 4.254 ( 3.908 -1.470 -2.254) 4.745 4.485 ( -0.354 16.388 -0.821) 16.412 4.597 ( 0.265 9.835 3.773) 10.537 5.122 ( 1.617 -4.880 11.369) 12.477 5.513 ( 2.434 -22.721 4.060) 23.209 5.839 ( -2.586 3.167 -3.314) 5.263 5.976 ( 2.124 3.306 1.605) 4.245 6.223 ( -0.699 -5.988 -6.489) 8.858 6.669 ( 3.716 1.837 -9.612) 10.468 6.677 ( 10.979 -2.428 -5.366) 12.459 6.769 ( 5.699 1.563 -4.374) 7.353 6.871 ( 1.821 4.613 -0.796) 5.023 6.948 ( 2.890 4.379 -1.258) 5.395 7.104 ( -3.326 -3.892 0.192) 5.123 7.186 ( 1.435 -1.803 2.606) 3.479 7.256 ( -6.480 -5.696 8.361) 12.014 7.366 ( -1.111 -0.369 -0.612) 1.321 7.395 ( -0.363 -5.415 1.636) 5.669 7.757 ( -15.009 -5.341 -0.351) 15.935 7.846 ( -14.897 -8.436 1.862) 17.221 8.057 ( 3.362 3.288 -5.619) 7.327 8.225 ( 5.446 -3.026 0.561) 6.256 8.429 ( -2.866 -0.298 -3.914) 4.860 8.564 ( -2.026 2.296 1.838) 3.571 8.756 ( 0.922 1.206 5.357) 5.568 8.873 ( -1.523 1.137 -5.144) 5.484 9.216 ( -4.867 -0.857 7.044) 8.605 9.312 ( 6.942 1.598 1.836) 7.356 9.561 ( -9.899 -6.308 -3.932) 12.379 9.626 ( -1.774 5.337 12.254) 13.483 9.779 ( 5.764 -1.878 -6.396) 8.813 9.992 ( 3.476 -2.900 2.507) 5.175 10.162 ( 3.814 10.805 2.026) 11.636 10.582 ( -3.548 1.723 4.636) 6.087 10.812 ( 14.766 2.640 -4.451) 15.647 10.859 ( 7.385 10.802 5.195) 14.079 11.235 ( 4.517 -3.590 -0.034) 5.770 11.530 ( 5.706 2.894 -4.244) 7.678 11.576 ( 1.773 3.691 -0.744) 4.162 11.765 ( -6.132 -1.104 -4.366) 7.608 12.040 ( 4.774 -0.044 -0.452) 4.795 12.208 ( 7.995 -4.509 1.975) 9.389 12.244 ( -1.790 -1.220 -0.058) 2.167 12.444 ( 0.707 3.295 -1.817) 3.829 12.727 ( 6.264 -5.563 4.702) 9.607 12.841 ( 6.822 2.214 -2.964) 7.761 12.992 ( -0.508 -0.205 -2.080) 2.151 13.269 ( -2.221 2.958 1.897) 4.157 13.427 ( -6.227 1.217 -1.335) 6.484 13.472 ( -2.407 -10.368 4.693) 11.632 13.769 ( -1.493 -1.795 6.541) 6.946 13.914 ( -4.063 1.551 -0.036) 4.349 14.155 ( -4.137 3.998 -5.197) 7.753 14.327 ( -1.252 8.395 1.244) 8.578 14.592 ( 10.518 -3.860 -0.569) 11.218 14.651 ( 5.926 -2.643 -5.368) 8.422 14.741 ( 9.460 -2.365 -3.700) 10.429 14.838 ( 5.103 -5.279 -0.854) 7.391 15.002 ( 1.168 0.586 3.182) 3.440 15.104 ( 1.754 0.195 0.275) 1.786 15.200 ( 1.771 1.154 0.021) 2.114 15.269 ( 1.734 0.041 -0.720) 1.878 15.361 ( -5.720 -3.354 1.743) 6.856 15.417 ( 4.973 5.292 -3.333) 7.990 15.691 ( 2.034 -0.467 6.241) 6.581 15.797 ( -3.422 1.448 0.833) 3.808 15.913 ( 0.416 -0.854 -0.589) 1.118 15.963 ( 13.111 3.449 7.486) 15.487 16.378 ( 1.256 -1.313 -3.027) 3.530 16.504 ( 0.051 1.243 0.273) 1.273 16.629 ( 2.009 -0.681 -0.415) 2.162 16.884 ( -1.626 2.437 -1.869) 3.475 16.967 ( -0.394 3.259 -1.561) 3.635 17.012 ( -3.244 -2.146 -0.567) 3.930 17.034 ( 5.226 3.066 3.130) 6.820 17.180 ( -5.891 1.563 3.655) 7.107 17.302 ( -0.372 -2.935 -6.486) 7.129 17.763 ( -0.176 -1.281 1.166) 1.741 18.007 ( -10.627 1.969 6.338) 12.529 18.206 ( -17.931 0.657 1.477) 18.003 18.503 ( -7.916 10.390 0.193) 13.063 19.031 ( -4.430 1.704 -0.966) 4.844 19.551 ( -5.741 -11.149 -14.941) 19.506 19.938 ( 5.826 3.037 -8.154) 10.472 20.458 ( 7.233 -11.028 8.498) 15.689 ======================= Grid point 13 (13/72) ======================= q-point: ( 0.04 0.46 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 3.306 -0.000 6.455) 7.253 1.932 ( 15.166 -0.000 11.293) 18.909 2.052 ( 3.483 -0.000 2.656) 4.380 2.155 ( -5.447 0.000 -7.296) 9.105 2.287 ( 2.403 0.000 1.094) 2.641 2.415 ( 0.832 0.000 -1.380) 1.612 2.520 ( -0.410 0.000 -2.046) 2.087 2.734 ( 13.763 0.000 0.618) 13.777 2.739 ( -6.679 -0.000 -0.127) 6.680 2.866 ( 0.990 -0.000 4.140) 4.257 3.196 ( -9.127 -0.000 -2.024) 9.349 3.474 ( -0.017 0.000 -2.482) 2.483 3.498 ( 4.047 -0.000 4.472) 6.031 3.650 ( -1.018 -0.000 -0.300) 1.061 4.170 ( 3.817 0.000 -6.580) 7.607 4.274 ( -2.920 -0.000 5.712) 6.415 4.300 ( 0.466 0.000 0.015) 0.466 5.425 ( 1.584 0.000 -12.123) 12.226 5.528 ( -3.465 -0.000 11.437) 11.950 5.629 ( -1.740 -0.000 0.321) 1.769 5.917 ( -3.650 -0.000 -1.778) 4.060 5.972 ( -4.414 -0.000 -1.139) 4.559 6.329 ( 3.963 0.000 0.367) 3.980 6.434 ( -5.857 -0.000 -0.775) 5.908 6.527 ( 0.487 -0.000 1.003) 1.115 6.769 ( 6.755 0.000 -6.008) 9.040 6.942 ( -10.201 -0.000 5.126) 11.417 7.320 ( 4.177 0.000 -2.957) 5.118 7.494 ( 4.343 -0.000 3.532) 5.598 7.507 ( 3.003 0.000 -0.913) 3.139 7.658 ( 3.850 0.000 -2.696) 4.700 7.792 ( 3.121 -0.000 5.788) 6.576 7.877 ( -2.539 -0.000 4.258) 4.958 7.980 ( -4.015 -0.000 1.977) 4.475 8.285 ( 5.520 0.000 -3.935) 6.779 8.441 ( 1.413 -0.000 0.703) 1.578 8.448 ( -5.053 0.000 -5.070) 7.158 8.790 ( -4.041 0.000 -3.148) 5.123 9.006 ( -2.153 -0.000 7.885) 8.174 9.047 ( 10.250 0.000 1.996) 10.442 9.293 ( 5.821 0.000 -2.390) 6.293 9.348 ( 8.471 0.000 3.174) 9.046 9.524 ( -2.283 -0.000 1.982) 3.023 9.612 ( -2.200 0.000 -2.676) 3.464 9.735 ( -14.890 -0.000 0.885) 14.917 9.835 ( -0.616 -0.000 3.301) 3.358 9.926 ( -1.685 -0.000 -0.708) 1.828 10.209 ( -0.295 0.000 -1.089) 1.129 10.298 ( 7.807 -0.000 4.276) 8.901 10.591 ( 11.118 0.000 -7.349) 13.328 10.830 ( -23.869 -0.000 -3.390) 24.108 11.183 ( 3.155 0.000 0.360) 3.175 11.379 ( -8.035 -0.000 -2.168) 8.323 11.630 ( -1.436 -0.000 1.975) 2.442 11.639 ( -12.827 -0.000 4.414) 13.565 12.177 ( 2.642 0.000 0.263) 2.655 12.295 ( 1.090 0.000 -2.173) 2.430 12.411 ( 0.447 -0.000 0.309) 0.543 12.673 ( 6.600 0.000 -2.532) 7.069 12.802 ( -0.832 0.000 -1.146) 1.417 13.018 ( -3.416 -0.000 2.719) 4.366 13.582 ( 5.502 -0.000 6.653) 8.633 13.647 ( 2.028 0.000 0.934) 2.232 13.661 ( -2.873 0.000 -3.685) 4.672 13.837 ( 0.159 0.000 -0.597) 0.618 14.008 ( -0.506 0.000 -1.328) 1.421 14.034 ( 1.349 0.000 -3.259) 3.527 14.161 ( 4.782 0.000 -1.491) 5.009 14.310 ( -3.355 -0.000 0.346) 3.372 14.424 ( 1.642 -0.000 3.778) 4.119 14.597 ( -9.755 -0.000 2.359) 10.036 14.670 ( 2.259 0.000 0.283) 2.276 14.831 ( -9.080 -0.000 -3.166) 9.616 15.008 ( 1.294 0.000 -2.292) 2.632 15.084 ( 0.204 -0.000 0.638) 0.669 15.227 ( -6.216 -0.000 3.339) 7.056 15.263 ( 1.716 0.000 0.787) 1.888 15.611 ( -1.107 -0.000 0.469) 1.202 15.667 ( -0.884 -0.000 0.460) 0.997 15.785 ( 0.493 0.000 -0.765) 0.910 15.854 ( 1.726 0.000 -1.299) 2.160 16.063 ( 0.420 0.000 -0.812) 0.914 16.407 ( -4.256 -0.000 0.697) 4.313 16.678 ( -0.176 0.000 -1.701) 1.710 16.690 ( 1.336 0.000 -1.657) 2.129 16.709 ( 3.658 -0.000 4.470) 5.776 16.873 ( 1.902 -0.000 0.973) 2.137 16.894 ( -4.188 0.000 -5.701) 7.074 17.129 ( -1.137 -0.000 2.206) 2.482 17.253 ( 2.939 0.000 -0.213) 2.946 17.358 ( 0.834 0.000 0.145) 0.847 17.700 ( 1.075 -0.000 1.537) 1.875 17.864 ( 1.026 -0.000 0.814) 1.310 18.219 ( 3.127 0.000 -6.867) 7.545 18.314 ( -0.371 -0.000 6.159) 6.170 19.421 ( 5.121 0.000 0.175) 5.124 19.858 ( 7.053 0.000 -8.202) 10.818 19.928 ( -2.342 -0.000 1.162) 2.615 20.884 ( -3.562 -0.000 3.202) 4.789 ======================= Grid point 14 (14/72) ======================= q-point: (-0.46 0.46 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 1.850 -4.961 0.000) 5.295 1.858 ( 2.702 -3.144 0.000) 4.145 2.148 ( -0.047 1.640 -0.000) 1.640 2.251 ( 2.834 1.341 -0.000) 3.135 2.380 ( 7.656 -1.426 -0.000) 7.787 2.484 ( -2.904 0.149 0.000) 2.908 2.659 ( -2.583 -1.697 0.000) 3.090 2.670 ( -0.019 2.959 -0.000) 2.960 2.738 ( 4.398 -1.567 -0.000) 4.668 3.011 ( 5.412 1.106 -0.000) 5.524 3.265 ( 3.541 4.980 -0.000) 6.111 3.270 ( 0.726 1.070 -0.000) 1.293 3.456 ( -10.531 -5.982 0.000) 12.111 3.654 ( 7.106 -2.101 -0.000) 7.410 4.027 ( -3.255 1.250 0.000) 3.487 4.625 ( -1.141 0.152 0.000) 1.151 4.649 ( -3.830 -4.546 0.000) 5.945 5.019 ( 1.961 0.653 -0.000) 2.067 5.267 ( 2.665 0.647 -0.000) 2.742 5.804 ( -6.588 -0.044 0.000) 6.588 5.986 ( 5.015 4.991 -0.000) 7.075 6.331 ( 2.959 3.492 -0.000) 4.577 6.454 ( -10.877 -6.950 0.000) 12.908 6.563 ( 0.530 -0.861 0.000) 1.011 6.597 ( 7.909 1.239 -0.000) 8.005 6.852 ( 0.132 0.190 -0.000) 0.232 6.869 ( -3.556 -2.268 0.000) 4.218 6.877 ( -2.333 9.340 -0.000) 9.628 7.123 ( -1.157 -1.693 0.000) 2.051 7.370 ( -1.416 -3.640 0.000) 3.906 7.598 ( 2.051 -1.265 0.000) 2.410 7.666 ( 14.723 -1.135 -0.000) 14.766 7.975 ( -6.087 -4.074 0.000) 7.325 7.981 ( -0.634 1.217 -0.000) 1.372 8.060 ( -0.214 -3.841 0.000) 3.846 8.230 ( -5.309 4.809 -0.000) 7.163 8.408 ( -0.543 2.258 -0.000) 2.322 8.613 ( 4.302 -0.393 -0.000) 4.320 8.747 ( -3.369 2.802 -0.000) 4.382 8.909 ( 11.181 1.148 -0.000) 11.239 9.384 ( -0.809 -2.766 0.000) 2.882 9.385 ( 0.063 -0.261 0.000) 0.269 9.558 ( 11.759 -2.833 -0.000) 12.095 9.646 ( -11.916 -2.769 0.000) 12.234 9.776 ( 1.098 4.203 -0.000) 4.344 10.070 ( 6.500 -3.485 0.000) 7.375 10.259 ( -12.055 1.515 0.000) 12.150 10.432 ( -4.518 1.052 0.000) 4.639 10.619 ( 13.982 -6.409 -0.000) 15.381 10.883 ( -0.764 5.351 -0.000) 5.406 10.929 ( 2.298 8.260 -0.000) 8.574 11.232 ( -20.678 -5.436 0.000) 21.380 11.355 ( -4.180 -2.803 0.000) 5.032 11.401 ( -5.776 2.234 0.000) 6.193 11.975 ( -2.847 -3.844 0.000) 4.784 12.057 ( 0.280 4.303 -0.000) 4.312 12.192 ( 2.662 -2.407 0.000) 3.589 12.415 ( 1.968 3.535 -0.000) 4.046 12.440 ( -1.852 -1.154 0.000) 2.182 12.898 ( -1.697 1.283 -0.000) 2.127 13.129 ( 3.610 -1.420 -0.000) 3.879 13.385 ( 0.345 -2.360 0.000) 2.385 13.425 ( 0.992 0.969 -0.000) 1.387 13.646 ( 6.012 -1.425 -0.000) 6.179 13.850 ( 1.859 0.327 -0.000) 1.888 13.958 ( -8.088 3.330 0.000) 8.746 14.099 ( -0.967 1.928 -0.000) 2.157 14.317 ( 1.487 -3.444 0.000) 3.751 14.371 ( 1.334 1.705 -0.000) 2.165 14.475 ( -2.005 -0.490 0.000) 2.064 14.485 ( -10.476 -0.360 0.000) 10.482 14.693 ( 5.829 1.322 -0.000) 5.977 14.789 ( -2.559 -0.327 0.000) 2.579 15.111 ( 0.275 -0.603 0.000) 0.663 15.165 ( 0.233 1.926 -0.000) 1.940 15.170 ( -5.904 -2.168 0.000) 6.290 15.320 ( -1.674 1.814 -0.000) 2.468 15.377 ( -1.664 -3.566 0.000) 3.935 15.444 ( -4.389 -1.956 0.000) 4.805 15.771 ( 4.449 0.308 -0.000) 4.460 15.934 ( 0.506 0.343 -0.000) 0.611 16.052 ( 2.110 -0.297 -0.000) 2.131 16.271 ( -1.710 -0.092 0.000) 1.712 16.517 ( -0.277 -0.447 0.000) 0.526 16.695 ( 4.607 1.611 -0.000) 4.881 16.712 ( -1.407 1.201 -0.000) 1.850 16.800 ( -5.204 -0.834 0.000) 5.271 17.254 ( -1.903 0.850 0.000) 2.084 17.300 ( 2.986 -2.670 0.000) 4.006 17.315 ( 4.638 1.587 -0.000) 4.902 17.423 ( -0.960 -1.237 0.000) 1.566 17.464 ( -0.428 1.534 -0.000) 1.592 18.557 ( 3.582 1.502 -0.000) 3.884 18.769 ( 7.835 -8.606 0.000) 11.638 19.099 ( 4.844 -3.018 0.000) 5.707 19.167 ( 6.009 5.724 -0.000) 8.299 19.464 ( -9.053 3.818 0.000) 9.825 19.471 ( 6.213 13.011 -0.000) 14.418 20.115 ( -9.121 -10.448 0.000) 13.869 ======================= Grid point 15 (15/72) ======================= q-point: ( 0.21 0.04 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 12.393 18.849) 22.559 0.798 ( 0.000 15.084 23.854) 28.223 1.417 ( -0.000 29.398 34.858) 45.600 1.786 ( -0.000 15.482 2.127) 15.628 1.926 ( -0.000 0.032 -4.041) 4.041 2.235 ( 0.000 1.588 8.188) 8.340 2.377 ( -0.000 1.883 -4.831) 5.185 2.745 ( -0.000 2.811 -7.509) 8.018 2.812 ( -0.000 -2.225 -7.876) 8.184 2.996 ( 0.000 2.440 6.476) 6.921 3.223 ( 0.000 -7.195 -6.557) 9.734 3.278 ( 0.000 -5.254 14.930) 15.828 3.436 ( 0.000 -8.837 0.431) 8.847 3.865 ( -0.000 -0.835 -4.620) 4.695 4.158 ( -0.000 12.489 -1.863) 12.627 4.315 ( 0.000 -1.322 1.192) 1.780 4.435 ( -0.000 6.344 2.403) 6.784 5.345 ( 0.000 -10.091 9.203) 13.658 5.855 ( 0.000 -10.739 4.964) 11.831 5.873 ( -0.000 6.641 -1.651) 6.843 6.037 ( 0.000 -20.201 2.963) 20.417 6.384 ( 0.000 -7.661 -4.275) 8.773 6.537 ( -0.000 5.912 -3.221) 6.733 6.651 ( -0.000 5.569 -0.465) 5.588 6.754 ( -0.000 5.067 -6.636) 8.349 6.950 ( -0.000 0.978 -10.714) 10.758 6.972 ( -0.000 5.967 2.572) 6.498 7.086 ( -0.000 -2.804 -4.993) 5.726 7.208 ( 0.000 -3.092 -2.547) 4.006 7.347 ( -0.000 -0.217 -1.303) 1.321 7.444 ( 0.000 -7.678 7.356) 10.633 7.473 ( -0.000 1.263 -4.367) 4.546 7.652 ( 0.000 -8.421 5.406) 10.007 7.923 ( 0.000 -3.159 4.372) 5.394 7.979 ( -0.000 4.176 -5.084) 6.580 8.316 ( -0.000 4.587 0.855) 4.666 8.435 ( 0.000 -5.865 1.109) 5.969 8.527 ( 0.000 1.151 2.563) 2.810 8.578 ( -0.000 -2.071 -6.378) 6.706 9.062 ( 0.000 -6.571 2.643) 7.083 9.179 ( 0.000 -2.977 0.207) 2.984 9.383 ( -0.000 1.084 -3.186) 3.365 9.583 ( 0.000 -6.721 7.790) 10.289 9.673 ( 0.000 -9.682 21.863) 23.911 9.798 ( -0.000 -0.387 -2.328) 2.360 10.015 ( 0.000 2.476 6.843) 7.278 10.255 ( 0.000 -4.529 4.492) 6.379 10.268 ( -0.000 13.955 -8.786) 16.490 10.804 ( 0.000 2.804 14.727) 14.992 10.973 ( -0.000 9.533 -7.661) 12.230 11.321 ( 0.000 -1.434 0.552) 1.537 11.469 ( -0.000 -0.919 -6.954) 7.014 11.536 ( -0.000 1.034 0.166) 1.047 11.741 ( -0.000 5.035 -8.192) 9.615 11.964 ( -0.000 0.747 -3.454) 3.534 12.202 ( 0.000 0.858 7.130) 7.181 12.364 ( -0.000 4.020 -2.408) 4.686 12.498 ( 0.000 -6.973 0.130) 6.975 12.818 ( 0.000 -0.349 1.606) 1.644 12.961 ( -0.000 1.188 -2.632) 2.887 13.058 ( -0.000 -1.170 -3.707) 3.887 13.135 ( -0.000 0.417 -2.069) 2.110 13.282 ( -0.000 3.396 2.591) 4.271 13.683 ( 0.000 -7.069 3.507) 7.891 13.835 ( -0.000 1.290 1.501) 1.979 13.883 ( 0.000 -2.073 2.619) 3.340 14.081 ( 0.000 -5.021 4.855) 6.984 14.149 ( 0.000 -0.470 6.380) 6.397 14.714 ( -0.000 0.259 -10.351) 10.354 14.780 ( -0.000 -1.248 -2.758) 3.027 14.954 ( 0.000 -4.708 -3.385) 5.799 14.980 ( 0.000 0.882 2.034) 2.217 15.016 ( 0.000 -5.093 -1.103) 5.211 15.156 ( 0.000 -0.352 1.077) 1.133 15.238 ( -0.000 0.022 -0.204) 0.205 15.257 ( -0.000 3.046 -5.588) 6.364 15.306 ( 0.000 -0.951 -0.218) 0.976 15.497 ( 0.000 -11.179 11.351) 15.931 15.599 ( -0.000 1.305 0.190) 1.319 15.859 ( 0.000 -3.366 16.712) 17.048 15.927 ( -0.000 -0.967 -1.606) 1.875 16.118 ( 0.000 0.509 1.439) 1.527 16.339 ( -0.000 2.178 -0.004) 2.178 16.483 ( -0.000 0.820 0.425) 0.923 16.753 ( 0.000 -3.932 0.078) 3.933 16.754 ( -0.000 1.555 -3.041) 3.416 16.934 ( -0.000 3.008 1.999) 3.612 16.959 ( -0.000 3.054 0.378) 3.077 17.008 ( -0.000 5.111 -1.473) 5.319 17.117 ( 0.000 -1.507 5.520) 5.722 17.482 ( -0.000 -3.620 -6.934) 7.822 17.661 ( 0.000 -0.740 9.328) 9.357 17.726 ( -0.000 2.395 0.867) 2.547 18.087 ( 0.000 -0.511 6.099) 6.120 18.258 ( -0.000 6.149 -4.989) 7.919 18.851 ( -0.000 19.042 -17.622) 25.945 19.243 ( -0.000 25.617 -32.123) 41.087 20.016 ( 0.000 -5.307 0.338) 5.318 20.861 ( 0.000 -17.664 12.610) 21.703 ======================= Grid point 16 (16/72) ======================= q-point: (-0.29 0.04 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.000 -19.783 1.161) 19.817 1.186 ( 0.000 -19.649 -12.693) 23.393 1.912 ( 0.000 0.655 4.874) 4.918 1.984 ( 0.000 -18.616 -21.885) 28.732 2.048 ( 0.000 -6.213 2.302) 6.626 2.300 ( -0.000 -4.290 -8.336) 9.375 2.388 ( 0.000 -3.457 7.955) 8.674 2.770 ( -0.000 0.173 0.098) 0.199 2.805 ( 0.000 -1.707 4.420) 4.738 3.033 ( -0.000 10.378 6.949) 12.490 3.037 ( -0.000 0.800 -2.948) 3.055 3.200 ( -0.000 1.201 -14.283) 14.334 3.308 ( -0.000 2.259 -2.118) 3.096 3.852 ( 0.000 0.527 4.810) 4.838 4.296 ( 0.000 0.740 1.166) 1.381 4.483 ( 0.000 -18.933 1.792) 19.018 4.598 ( 0.000 -8.213 -3.766) 9.035 5.147 ( -0.000 5.016 -12.005) 13.010 5.527 ( -0.000 25.978 -4.804) 26.418 5.814 ( 0.000 -2.338 5.330) 5.820 6.004 ( 0.000 -4.446 -4.541) 6.355 6.224 ( -0.000 7.140 7.814) 10.585 6.655 ( 0.000 -4.410 1.788) 4.759 6.822 ( 0.000 5.555 8.308) 9.994 6.859 ( 0.000 -11.295 2.757) 11.626 6.864 ( -0.000 4.972 6.090) 7.862 7.044 ( -0.000 0.055 -0.970) 0.971 7.081 ( 0.000 -1.360 5.113) 5.290 7.166 ( 0.000 -1.366 2.303) 2.677 7.233 ( -0.000 7.288 -7.771) 10.654 7.335 ( -0.000 1.354 1.348) 1.910 7.408 ( -0.000 8.098 -4.712) 9.369 7.498 ( 0.000 -1.081 3.382) 3.551 7.713 ( -0.000 14.390 -6.150) 15.649 8.114 ( 0.000 -3.711 4.199) 5.603 8.299 ( -0.000 6.325 0.360) 6.335 8.390 ( 0.000 -2.529 0.427) 2.564 8.553 ( 0.000 -1.483 -0.634) 1.612 8.682 ( 0.000 -11.200 2.912) 11.572 8.903 ( -0.000 4.878 -0.234) 4.884 9.198 ( -0.000 -1.245 -3.543) 3.756 9.372 ( -0.000 12.786 -6.099) 14.166 9.441 ( 0.000 -3.488 5.290) 6.336 9.612 ( -0.000 -2.449 -16.948) 17.124 9.822 ( 0.000 -1.877 7.159) 7.401 10.020 ( -0.000 4.897 2.163) 5.353 10.271 ( 0.000 -7.881 -9.619) 12.435 10.489 ( 0.000 -5.197 -0.970) 5.286 10.943 ( 0.000 -10.686 -7.992) 13.345 11.064 ( 0.000 -0.023 4.404) 4.404 11.279 ( -0.000 2.526 -0.196) 2.533 11.435 ( 0.000 2.464 4.475) 5.109 11.568 ( 0.000 -2.099 -0.382) 2.133 11.888 ( 0.000 -8.325 7.486) 11.195 11.976 ( 0.000 -0.036 3.947) 3.947 12.231 ( -0.000 -1.956 -4.947) 5.319 12.272 ( -0.000 11.804 -1.588) 11.910 12.459 ( 0.000 -2.822 1.120) 3.036 12.812 ( -0.000 0.185 -2.252) 2.260 12.953 ( -0.000 1.478 2.011) 2.495 13.022 ( 0.000 2.239 3.439) 4.104 13.206 ( 0.000 -6.665 3.198) 7.393 13.338 ( -0.000 -1.134 -2.290) 2.556 13.444 ( -0.000 13.274 -6.155) 14.632 13.760 ( -0.000 3.333 -9.971) 10.513 13.870 ( 0.000 -1.800 -1.267) 2.201 14.113 ( 0.000 -4.551 7.024) 8.369 14.310 ( 0.000 -8.759 -1.998) 8.984 14.686 ( 0.000 1.808 7.430) 7.647 14.744 ( -0.000 2.016 2.339) 3.088 14.853 ( -0.000 5.054 -0.316) 5.063 14.886 ( -0.000 6.903 1.152) 6.998 15.004 ( 0.000 -1.276 -1.660) 2.094 15.127 ( -0.000 2.021 -1.631) 2.597 15.241 ( 0.000 -0.280 0.052) 0.285 15.264 ( 0.000 0.088 3.144) 3.145 15.281 ( -0.000 1.316 0.043) 1.317 15.513 ( 0.000 -5.395 1.137) 5.514 15.631 ( 0.000 -1.464 -0.067) 1.466 15.822 ( -0.000 -0.701 -11.923) 11.944 15.899 ( -0.000 1.647 1.204) 2.040 16.134 ( 0.000 -0.974 -0.954) 1.363 16.386 ( 0.000 -1.246 2.095) 2.437 16.505 ( 0.000 -1.149 -0.333) 1.196 16.695 ( -0.000 1.413 -0.765) 1.607 16.836 ( 0.000 -4.342 1.434) 4.573 16.956 ( -0.000 0.758 0.985) 1.243 17.015 ( 0.000 -1.395 -0.074) 1.397 17.096 ( 0.000 -2.696 2.224) 3.495 17.115 ( 0.000 -2.513 -2.810) 3.769 17.377 ( -0.000 6.081 2.831) 6.708 17.641 ( -0.000 0.377 -11.527) 11.533 17.771 ( 0.000 -2.024 2.785) 3.443 18.089 ( -0.000 -1.060 -2.991) 3.174 18.425 ( 0.000 -8.890 -1.781) 9.067 18.986 ( 0.000 -3.691 1.806) 4.109 19.490 ( 0.000 7.904 15.874) 17.733 19.998 ( 0.000 -3.394 8.766) 9.400 20.536 ( -0.000 9.719 -7.220) 12.108 ======================= Grid point 17 (17/72) ======================= q-point: ( 0.38 -0.38 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -13.749 -3.697 0.000) 14.238 1.773 ( -9.352 4.553 -0.000) 10.402 2.119 ( -0.425 12.881 -0.000) 12.888 2.190 ( 1.332 -2.109 0.000) 2.495 2.336 ( -5.704 3.690 -0.000) 6.794 2.487 ( -0.148 -0.745 0.000) 0.760 2.653 ( -0.677 -0.457 0.000) 0.817 2.702 ( -4.508 0.807 0.000) 4.579 2.796 ( 3.995 -5.748 0.000) 7.000 2.954 ( -3.097 5.205 -0.000) 6.057 3.217 ( 2.022 3.714 -0.000) 4.229 3.315 ( 4.536 6.222 -0.000) 7.700 3.410 ( -6.037 -4.439 0.000) 7.493 3.559 ( -4.690 1.911 0.000) 5.065 4.069 ( 4.968 -2.540 0.000) 5.580 4.536 ( 0.399 7.247 -0.000) 7.258 4.567 ( -5.358 3.863 -0.000) 6.605 5.013 ( 0.432 1.282 -0.000) 1.353 5.365 ( 1.027 -7.166 0.000) 7.239 5.748 ( 3.417 3.264 -0.000) 4.726 6.042 ( 4.793 -0.628 -0.000) 4.834 6.253 ( 0.798 7.992 -0.000) 8.031 6.466 ( -1.921 -7.325 0.000) 7.572 6.535 ( 0.967 1.231 -0.000) 1.565 6.633 ( 1.718 7.050 -0.000) 7.257 6.802 ( 1.510 -5.131 0.000) 5.349 6.975 ( 11.588 1.349 -0.000) 11.666 7.053 ( -1.857 -11.225 0.000) 11.377 7.176 ( -1.841 -6.948 0.000) 7.188 7.252 ( -5.512 3.645 -0.000) 6.608 7.608 ( -13.050 3.110 0.000) 13.415 7.624 ( -4.275 -2.673 0.000) 5.041 7.898 ( 3.597 4.961 -0.000) 6.128 7.977 ( 2.673 0.773 -0.000) 2.782 8.168 ( -6.520 -12.967 0.000) 14.514 8.338 ( 3.195 -4.240 0.000) 5.309 8.459 ( 4.881 -2.808 0.000) 5.631 8.631 ( -0.029 -2.496 0.000) 2.496 8.848 ( 2.516 -7.235 0.000) 7.660 8.907 ( -8.557 1.658 0.000) 8.716 9.334 ( -4.590 1.947 0.000) 4.986 9.390 ( -1.005 -0.798 0.000) 1.283 9.456 ( -5.907 5.873 -0.000) 8.330 9.590 ( 5.055 2.305 -0.000) 5.556 9.878 ( 0.900 -4.712 0.000) 4.797 9.979 ( -9.340 5.811 -0.000) 11.001 10.268 ( 13.073 1.450 -0.000) 13.153 10.347 ( 7.549 8.019 -0.000) 11.014 10.410 ( -18.858 11.936 -0.000) 22.318 10.940 ( 11.723 -0.349 -0.000) 11.728 11.015 ( -3.625 1.595 0.000) 3.961 11.199 ( 17.581 -3.482 -0.000) 17.922 11.295 ( -0.543 2.937 -0.000) 2.987 11.421 ( 8.767 -0.048 -0.000) 8.767 11.854 ( -2.021 6.870 -0.000) 7.161 12.089 ( 4.060 -0.269 -0.000) 4.069 12.238 ( -4.426 -4.947 0.000) 6.638 12.426 ( -0.536 -0.095 0.000) 0.544 12.542 ( 3.211 -7.540 0.000) 8.196 12.905 ( 3.946 0.537 -0.000) 3.983 13.060 ( -6.415 5.039 -0.000) 8.157 13.372 ( -4.708 -0.839 0.000) 4.782 13.486 ( 1.020 -4.893 0.000) 4.998 13.602 ( -4.691 1.858 0.000) 5.046 13.860 ( -1.397 -0.268 0.000) 1.423 14.072 ( 8.820 -5.940 0.000) 10.634 14.125 ( 7.479 0.774 -0.000) 7.519 14.259 ( -9.560 0.596 0.000) 9.578 14.377 ( -3.805 0.828 0.000) 3.894 14.443 ( 7.835 3.049 -0.000) 8.408 14.483 ( 6.545 -0.570 -0.000) 6.570 14.730 ( -2.363 -1.831 0.000) 2.989 14.794 ( 2.155 -0.996 -0.000) 2.374 15.058 ( -0.235 4.001 -0.000) 4.008 15.126 ( 3.120 4.377 -0.000) 5.376 15.142 ( 2.155 0.060 -0.000) 2.156 15.299 ( 0.974 0.920 -0.000) 1.340 15.434 ( -2.387 -4.797 0.000) 5.358 15.443 ( 0.920 -2.213 0.000) 2.397 15.787 ( -3.292 -0.980 0.000) 3.435 15.935 ( 0.507 0.185 -0.000) 0.539 16.015 ( -1.817 2.105 -0.000) 2.781 16.356 ( -0.100 -7.280 0.000) 7.281 16.512 ( -0.801 -0.163 0.000) 0.817 16.714 ( -3.447 0.420 0.000) 3.472 16.762 ( 3.357 -2.635 0.000) 4.268 16.777 ( 5.495 1.149 -0.000) 5.614 17.092 ( -0.057 9.664 -0.000) 9.665 17.345 ( -0.124 -0.169 0.000) 0.210 17.357 ( -6.176 -2.663 0.000) 6.726 17.383 ( -2.755 0.602 0.000) 2.821 17.472 ( 5.336 0.869 -0.000) 5.406 18.444 ( -10.045 18.740 -0.000) 21.262 18.481 ( -0.063 8.336 -0.000) 8.336 18.937 ( -3.937 13.095 -0.000) 13.674 19.208 ( -2.598 -1.390 0.000) 2.946 19.606 ( 10.096 -4.151 -0.000) 10.917 19.762 ( 10.217 -17.259 0.000) 20.056 20.255 ( -9.383 -18.946 0.000) 21.142 ======================= Grid point 18 (18/72) ======================= q-point: (-0.12 -0.38 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -6.008 -16.276 -4.838) 18.012 1.956 ( -12.317 -2.997 -10.325) 16.349 2.052 ( -4.461 1.874 -3.680) 6.079 2.137 ( 4.143 1.052 7.992) 9.063 2.295 ( -0.700 -1.157 -1.156) 1.779 2.390 ( 1.095 2.496 0.546) 2.780 2.567 ( -0.855 -3.712 1.725) 4.182 2.677 ( 2.376 1.670 1.947) 3.496 2.796 ( -8.627 -1.928 -1.867) 9.035 2.886 ( -0.866 -2.051 -2.268) 3.178 3.244 ( 9.437 -3.847 2.078) 10.401 3.390 ( -0.107 6.220 1.588) 6.421 3.472 ( -3.521 0.755 0.592) 3.650 3.572 ( 0.250 5.508 -4.240) 6.955 4.152 ( 0.045 3.979 2.267) 4.580 4.345 ( -1.444 -8.229 0.122) 8.355 4.431 ( -0.293 -10.015 -2.401) 10.303 5.403 ( 0.023 3.625 -2.205) 4.243 5.441 ( 3.538 4.273 5.075) 7.519 5.720 ( 1.394 -4.462 -1.184) 4.823 5.915 ( 0.640 0.756 -0.296) 1.034 5.983 ( 5.423 -3.420 1.882) 6.682 6.363 ( 1.232 0.471 -1.130) 1.737 6.411 ( -3.887 -1.341 0.023) 4.112 6.558 ( 4.160 -3.094 0.527) 5.211 6.820 ( -7.503 -3.730 5.923) 10.261 6.992 ( 8.809 -4.214 -5.133) 11.032 7.054 ( -0.945 15.552 0.763) 15.600 7.450 ( -2.955 4.835 -0.173) 5.669 7.619 ( -6.712 2.758 2.841) 7.793 7.679 ( -5.794 -2.971 0.653) 6.544 7.736 ( 0.469 8.796 -4.274) 9.790 7.825 ( 3.241 -5.454 -5.747) 8.560 8.007 ( 3.866 -0.927 -0.791) 4.054 8.279 ( -4.915 0.721 1.176) 5.105 8.357 ( -3.960 8.953 2.914) 10.214 8.467 ( 6.719 -0.459 2.417) 7.156 8.656 ( -1.334 7.801 -2.067) 8.180 8.897 ( 2.214 7.760 -2.484) 8.443 9.123 ( -10.111 -4.447 0.309) 11.051 9.155 ( -6.518 1.578 3.596) 7.609 9.315 ( 5.005 5.775 -2.094) 7.923 9.543 ( 4.952 0.465 -3.007) 5.812 9.700 ( 2.203 -1.100 -2.971) 3.859 9.812 ( -6.096 -7.587 1.035) 9.787 9.910 ( 2.718 -2.000 -1.539) 3.709 10.016 ( 7.075 -11.295 0.647) 13.344 10.228 ( 6.398 -1.372 0.994) 6.619 10.355 ( -11.207 -6.423 -4.369) 13.636 10.666 ( -10.623 -6.404 6.724) 14.109 10.836 ( 19.753 -0.845 3.503) 20.079 11.247 ( -3.432 -4.753 -0.467) 5.881 11.356 ( 9.398 1.575 0.111) 9.529 11.530 ( 11.603 5.121 -1.397) 12.759 11.755 ( 3.708 -6.579 -2.943) 8.105 12.176 ( -3.107 0.033 -0.925) 3.241 12.255 ( -0.354 4.015 2.149) 4.568 12.412 ( -0.182 -0.151 -0.180) 0.297 12.643 ( -4.249 2.986 2.713) 5.859 12.821 ( 1.124 -1.641 1.262) 2.356 13.011 ( 1.171 0.225 -2.663) 2.918 13.513 ( -4.815 3.776 -2.928) 6.783 13.587 ( 2.587 3.620 0.374) 4.465 13.753 ( -6.267 -2.178 -1.733) 6.858 13.839 ( -0.431 1.263 -3.515) 3.760 13.893 ( 2.539 1.263 7.734) 8.238 14.093 ( 3.133 -3.727 2.185) 5.337 14.271 ( -5.229 -3.159 3.031) 6.820 14.286 ( 3.158 1.558 -3.757) 5.150 14.402 ( 0.500 1.445 -2.868) 3.250 14.495 ( 4.450 3.052 -0.016) 5.396 14.751 ( 0.261 -1.084 0.347) 1.168 14.877 ( 8.212 -3.919 0.679) 9.124 15.023 ( -1.251 -2.080 2.328) 3.364 15.069 ( 0.963 1.030 -0.966) 1.709 15.191 ( 2.868 1.967 -1.510) 3.791 15.272 ( -0.734 -0.661 -1.123) 1.495 15.560 ( 1.125 4.233 -0.341) 4.393 15.641 ( 3.333 2.499 -2.040) 4.639 15.777 ( -1.914 0.538 0.441) 2.037 15.884 ( -1.601 -2.718 1.496) 3.491 15.978 ( 0.960 3.966 -0.431) 4.103 16.548 ( -0.121 1.052 -0.907) 1.395 16.552 ( -0.265 -3.865 -0.382) 3.893 16.625 ( -0.549 7.968 0.984) 8.047 16.785 ( -1.945 4.395 0.851) 4.881 16.879 ( 0.903 2.224 -0.405) 2.434 16.904 ( 1.231 -0.347 2.296) 2.628 17.014 ( 1.374 -13.467 0.078) 13.537 17.316 ( -4.199 1.592 -0.386) 4.507 17.447 ( 0.156 -2.957 -1.098) 3.158 17.685 ( 0.614 2.658 -0.462) 2.767 18.080 ( -2.074 -20.779 -0.243) 20.884 18.330 ( -1.247 -4.019 3.307) 5.352 18.415 ( -1.258 -14.647 -3.254) 15.057 19.398 ( -5.422 2.008 -0.052) 5.782 19.765 ( -7.180 8.423 8.042) 13.681 19.839 ( 2.687 8.285 -0.743) 8.741 20.716 ( 4.045 15.226 -3.968) 16.247 ======================= Grid point 19 (19/72) ======================= q-point: (-0.45 0.20 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 5.841 -13.182 11.082) 18.185 1.695 ( 13.151 -13.390 -4.169) 19.225 1.975 ( 5.833 -1.644 -2.564) 6.581 2.036 ( 0.727 4.145 2.055) 4.683 2.159 ( 2.431 1.230 -0.725) 2.820 2.412 ( 1.995 -3.790 -0.735) 4.345 2.567 ( 1.437 -1.853 1.504) 2.786 2.714 ( -2.938 3.303 -2.509) 5.083 2.735 ( -3.534 7.512 0.411) 8.312 2.911 ( 3.367 -1.777 -1.441) 4.071 3.083 ( 7.643 1.741 0.831) 7.882 3.291 ( 2.717 -6.487 -6.090) 9.303 3.310 ( 0.682 -2.500 -6.301) 6.813 3.793 ( -4.514 0.331 5.469) 7.099 4.216 ( -5.230 1.843 2.868) 6.243 4.723 ( -0.560 -1.551 -4.490) 4.783 4.817 ( -0.101 -0.776 4.009) 4.084 5.096 ( -4.646 -6.239 -7.727) 10.964 5.202 ( 1.417 -2.352 -4.312) 5.112 5.759 ( 4.258 12.787 0.824) 13.502 6.039 ( -2.961 -5.585 6.083) 8.773 6.209 ( 0.659 -3.687 -0.766) 3.823 6.513 ( -5.934 8.118 4.689) 11.095 6.587 ( -9.530 5.538 1.368) 11.107 6.754 ( 1.471 4.945 -0.947) 5.246 6.925 ( 0.054 7.820 -4.071) 8.817 7.000 ( 1.862 8.773 -4.518) 10.042 7.065 ( 8.959 -0.309 -0.019) 8.964 7.124 ( -12.559 -7.747 3.207) 15.101 7.255 ( -0.223 -3.117 -1.844) 3.629 7.385 ( 4.724 -6.954 4.127) 9.365 7.431 ( 0.855 -8.222 5.877) 10.142 7.681 ( 13.303 -0.671 -2.359) 13.527 7.784 ( 15.483 -0.220 0.196) 15.485 8.047 ( -1.931 4.588 -0.476) 5.000 8.155 ( -4.034 2.340 -0.862) 4.743 8.426 ( 1.397 0.567 1.408) 2.063 8.635 ( 0.888 -4.901 3.058) 5.845 8.768 ( -8.425 -0.961 1.779) 8.664 8.949 ( 3.339 0.558 -0.586) 3.436 9.193 ( 8.571 -1.720 -4.375) 9.775 9.258 ( 1.515 4.364 -8.864) 9.995 9.492 ( 2.770 0.205 5.939) 6.556 9.759 ( -8.171 -1.089 6.214) 10.324 9.817 ( 3.459 -10.780 -3.724) 11.919 9.934 ( 0.073 2.430 0.951) 2.610 10.369 ( -4.881 -6.845 -3.587) 9.140 10.566 ( 1.915 1.553 -8.240) 8.601 10.741 ( -14.806 8.208 3.976) 17.389 11.093 ( -7.988 -9.125 1.241) 12.191 11.171 ( -5.946 2.139 0.405) 6.332 11.539 ( -6.270 2.018 1.739) 6.812 11.623 ( 14.054 1.478 -0.597) 14.144 11.761 ( -11.387 -0.384 3.495) 11.917 11.971 ( 4.864 4.513 0.521) 6.655 12.180 ( -9.121 -1.933 -1.171) 9.397 12.233 ( -0.550 -0.205 -0.552) 0.805 12.493 ( -2.496 -1.173 1.319) 3.057 12.624 ( -9.703 3.929 -5.647) 11.894 12.889 ( -1.603 -1.811 3.644) 4.374 12.974 ( -0.026 1.256 0.886) 1.537 13.269 ( 6.365 5.475 -2.775) 8.843 13.389 ( 2.072 -3.407 -2.059) 4.488 13.478 ( 3.466 -5.917 3.564) 7.728 13.751 ( 2.264 0.204 -6.711) 7.085 13.935 ( 3.312 -0.350 -0.122) 3.333 14.220 ( 3.906 -2.119 8.484) 9.577 14.433 ( -2.305 0.576 -1.592) 2.860 14.520 ( -11.896 2.483 -3.526) 12.653 14.579 ( 0.218 5.961 0.326) 5.973 14.687 ( -11.699 -1.998 1.121) 11.922 14.778 ( -3.235 0.835 5.044) 6.050 15.020 ( -1.983 -1.126 -3.127) 3.870 15.102 ( 0.582 0.716 0.186) 0.941 15.212 ( -3.654 0.322 -0.605) 3.717 15.270 ( 0.873 -0.362 0.690) 1.170 15.314 ( 3.320 0.792 -1.577) 3.760 15.493 ( -3.029 -1.954 4.542) 5.798 15.735 ( -4.236 -2.993 -1.688) 5.454 15.799 ( 1.403 0.755 -0.623) 1.711 15.904 ( -0.061 -1.169 -0.489) 1.269 16.082 ( -8.768 -7.047 -4.674) 12.181 16.343 ( -4.059 2.104 4.293) 6.271 16.526 ( -0.059 -0.753 0.332) 0.825 16.623 ( -3.307 0.979 -0.988) 3.588 16.857 ( -3.298 3.227 1.020) 4.725 16.963 ( 3.780 3.044 -0.891) 4.935 17.040 ( 1.083 -3.838 0.249) 3.996 17.069 ( -2.388 -0.051 -0.817) 2.525 17.211 ( 4.275 1.356 3.182) 5.499 17.287 ( 5.039 -3.076 2.802) 6.535 17.705 ( -0.262 3.132 -5.547) 6.376 18.075 ( 15.602 -4.810 -1.960) 16.444 18.223 ( 13.529 -1.303 0.381) 13.597 18.693 ( 10.506 -6.109 -3.102) 12.542 19.047 ( 0.981 3.021 0.261) 3.187 19.201 ( 4.203 18.796 0.984) 19.285 19.838 ( -5.399 8.862 -3.572) 10.974 20.521 ( -8.935 -13.994 8.396) 18.605 ======================= Grid point 20 (20/72) ======================= q-point: ( 0.05 0.20 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 16.002 -0.000 21.200) 26.561 0.811 ( 21.490 -0.000 19.164) 28.794 1.513 ( 36.752 -0.000 29.849) 47.346 1.630 ( 5.334 -0.000 6.042) 8.060 2.105 ( 14.428 0.000 -6.846) 15.970 2.257 ( 4.212 -0.000 8.178) 9.199 2.299 ( -1.159 -0.000 1.334) 1.767 2.689 ( -2.162 0.000 -5.765) 6.157 2.736 ( -8.891 0.000 -7.621) 11.710 2.938 ( -3.529 -0.000 6.159) 7.099 3.223 ( -5.053 -0.000 8.912) 10.245 3.420 ( 4.597 0.000 -0.306) 4.608 3.557 ( -1.131 -0.000 -0.260) 1.160 3.833 ( -4.367 0.000 -4.118) 6.002 4.061 ( 6.135 0.000 -3.604) 7.115 4.317 ( -2.035 -0.000 1.526) 2.543 4.324 ( -2.934 -0.000 3.083) 4.256 5.394 ( -4.936 -0.000 6.455) 8.126 5.773 ( -0.721 0.000 -8.622) 8.652 5.824 ( -19.405 -0.000 12.613) 23.144 6.211 ( -5.150 -0.000 -1.629) 5.401 6.467 ( 0.194 -0.000 0.621) 0.651 6.519 ( -7.180 0.000 -8.095) 10.821 6.520 ( -8.506 0.000 -4.200) 9.486 6.656 ( -6.556 -0.000 -0.712) 6.595 6.744 ( 3.317 0.000 -5.855) 6.729 7.055 ( 6.362 0.000 2.740) 6.927 7.106 ( 0.725 -0.000 1.396) 1.573 7.248 ( -5.218 -0.000 7.463) 9.106 7.329 ( 4.511 0.000 -1.807) 4.859 7.444 ( 6.627 0.000 -0.270) 6.633 7.541 ( -3.660 0.000 -2.740) 4.572 7.813 ( 14.348 0.000 4.110) 14.925 7.974 ( -0.913 -0.000 0.433) 1.011 8.153 ( 17.469 0.000 5.414) 18.289 8.154 ( -5.967 -0.000 1.822) 6.239 8.435 ( -0.827 0.000 -4.767) 4.839 8.709 ( 10.214 0.000 2.215) 10.452 8.809 ( 14.715 0.000 2.092) 14.863 9.134 ( -19.560 -0.000 10.723) 22.307 9.146 ( -12.391 -0.000 -4.422) 13.156 9.175 ( 9.048 0.000 2.998) 9.532 9.434 ( -8.968 -0.000 -1.439) 9.083 9.706 ( -19.765 -0.000 21.944) 29.533 9.884 ( -0.671 -0.000 4.441) 4.492 9.991 ( -6.361 0.000 -10.264) 12.075 10.155 ( 6.491 0.000 0.403) 6.503 10.296 ( -7.951 -0.000 1.444) 8.081 10.357 ( 2.041 -0.000 7.913) 8.172 10.723 ( -7.034 -0.000 8.277) 10.862 11.355 ( 0.325 -0.000 0.193) 0.378 11.368 ( -13.252 0.000 -10.805) 17.098 11.533 ( 1.369 -0.000 1.135) 1.778 11.800 ( 4.645 0.000 -10.390) 11.381 12.049 ( -3.988 -0.000 2.370) 4.639 12.261 ( 11.214 0.000 -2.073) 11.404 12.299 ( 0.695 -0.000 1.395) 1.558 12.363 ( -16.056 -0.000 -0.357) 16.060 12.773 ( -16.715 -0.000 -4.502) 17.310 12.916 ( -1.699 0.000 -1.912) 2.557 12.948 ( 5.785 -0.000 3.587) 6.807 13.241 ( 2.086 -0.000 4.836) 5.267 13.380 ( 10.737 0.000 -0.671) 10.757 13.786 ( -1.840 -0.000 -0.510) 1.909 13.813 ( 0.115 -0.000 0.943) 0.950 13.856 ( 4.044 0.000 0.124) 4.046 14.057 ( 1.274 0.000 -1.350) 1.857 14.232 ( -14.512 -0.000 17.632) 22.836 14.405 ( -6.155 0.000 -5.639) 8.347 14.723 ( -9.016 -0.000 -2.624) 9.390 14.929 ( -4.376 -0.000 4.301) 6.136 14.935 ( -7.975 0.000 -6.077) 10.027 15.050 ( -4.283 0.000 -2.544) 4.981 15.108 ( -5.178 -0.000 0.069) 5.179 15.123 ( 3.039 0.000 1.040) 3.212 15.192 ( -6.158 -0.000 1.193) 6.272 15.372 ( 3.274 0.000 -1.044) 3.437 15.531 ( -9.027 -0.000 9.722) 13.267 15.603 ( 1.394 -0.000 1.706) 2.203 15.894 ( -2.557 -0.000 14.966) 15.183 15.907 ( -0.673 0.000 -4.322) 4.374 16.013 ( 3.355 0.000 -0.296) 3.368 16.481 ( 1.360 0.000 0.158) 1.370 16.574 ( 4.744 0.000 -1.851) 5.092 16.738 ( -10.837 -0.000 -0.065) 10.837 16.785 ( -2.269 0.000 -2.093) 3.087 16.823 ( -0.217 0.000 -1.121) 1.142 16.992 ( 6.777 0.000 1.341) 6.909 17.026 ( 1.821 -0.000 5.169) 5.480 17.176 ( 5.959 0.000 -0.859) 6.020 17.399 ( -6.311 0.000 -8.837) 10.859 17.580 ( 2.406 0.000 -2.498) 3.468 17.722 ( 2.648 -0.000 2.721) 3.796 18.099 ( 1.297 -0.000 5.698) 5.844 18.249 ( 4.738 0.000 -7.706) 9.046 18.998 ( 17.191 0.000 -4.357) 17.735 19.453 ( 43.058 0.000 -38.258) 57.600 20.060 ( -1.941 -0.000 0.157) 1.948 20.998 ( -8.871 -0.000 9.687) 13.135 ======================= Grid point 21 (21/72) ======================= q-point: (-0.27 -0.23 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -17.624 -1.922 -9.049) 19.904 1.832 ( -11.782 -9.274 -10.434) 18.267 2.040 ( -1.748 -3.508 0.150) 3.922 2.184 ( 1.058 -0.649 0.820) 1.488 2.204 ( -8.412 3.273 1.093) 9.092 2.485 ( -10.635 -0.353 -1.514) 10.748 2.507 ( 6.325 -1.545 1.750) 6.742 2.604 ( 1.871 -0.423 2.049) 2.807 2.810 ( 3.619 5.170 1.902) 6.591 2.908 ( -5.514 -6.794 -2.058) 8.988 3.253 ( -6.174 3.329 3.099) 7.668 3.327 ( -2.881 -1.826 -0.539) 3.453 3.525 ( -1.226 -0.512 -8.147) 8.255 3.542 ( 8.604 -2.005 1.542) 8.968 4.106 ( 4.742 3.786 2.365) 6.513 4.514 ( -2.205 -12.554 -0.694) 12.765 4.652 ( 1.222 -10.479 -3.559) 11.134 5.296 ( 0.800 7.273 -4.196) 8.435 5.418 ( 5.395 10.149 4.680) 12.410 5.803 ( -1.931 2.351 3.479) 4.622 5.926 ( 2.462 -5.066 1.072) 5.734 6.181 ( 3.116 2.876 1.017) 4.361 6.338 ( 3.763 -3.778 0.901) 5.408 6.487 ( 4.003 -0.981 -0.094) 4.123 6.626 ( 0.048 3.685 1.212) 3.879 6.779 ( 4.241 -8.380 2.619) 9.751 6.921 ( -2.932 -4.855 4.905) 7.499 7.198 ( 2.899 7.706 -0.936) 8.286 7.248 ( -4.032 4.402 -2.698) 6.551 7.412 ( -0.572 3.196 0.331) 3.263 7.481 ( -3.647 7.451 -9.078) 12.297 7.574 ( -9.841 1.823 -1.782) 10.166 7.924 ( 1.152 6.628 1.606) 6.916 8.002 ( -9.603 -2.053 0.995) 9.870 8.053 ( -5.521 1.449 1.439) 5.886 8.172 ( -1.345 1.747 0.364) 2.235 8.477 ( -0.431 3.235 -0.060) 3.264 8.630 ( 2.104 2.026 -0.760) 3.018 8.696 ( -6.432 0.590 1.916) 6.737 9.003 ( -8.919 -1.933 -0.943) 9.174 9.188 ( 9.964 -3.436 -3.702) 11.171 9.406 ( 9.589 2.345 2.936) 10.299 9.512 ( -3.152 4.627 -3.615) 6.664 9.686 ( -5.891 5.240 1.399) 8.007 9.788 ( -0.967 -6.199 -2.622) 6.799 10.044 ( -0.489 1.280 -3.804) 4.043 10.198 ( -0.854 -11.932 -3.562) 12.482 10.426 ( 9.632 -2.388 5.913) 11.551 10.612 ( 4.135 -4.974 2.675) 6.999 10.744 ( 9.956 -7.194 -2.370) 12.509 11.080 ( 9.373 2.693 1.931) 9.942 11.308 ( 4.709 -2.489 0.080) 5.327 11.520 ( 6.778 0.216 -1.486) 6.942 11.821 ( 8.458 -3.630 0.693) 9.230 11.925 ( 6.859 -0.577 -0.688) 6.917 12.071 ( -3.760 1.493 -1.074) 4.186 12.210 ( 4.764 4.452 0.854) 6.576 12.434 ( 0.801 -1.438 -0.248) 1.665 12.535 ( 1.377 0.077 5.143) 5.325 12.896 ( 0.677 -1.845 1.842) 2.694 12.968 ( -2.360 2.594 -3.893) 5.239 13.357 ( -3.488 1.348 -1.279) 3.953 13.531 ( -4.732 1.359 -0.333) 4.934 13.579 ( -2.439 4.948 -2.047) 5.884 13.826 ( 1.026 -0.122 0.026) 1.034 13.964 ( -2.418 -2.533 1.632) 3.863 14.238 ( -3.765 -3.796 -1.575) 5.573 14.318 ( 5.172 -1.460 6.897) 8.743 14.357 ( 1.307 -2.410 1.643) 3.197 14.417 ( 13.431 1.671 -3.454) 13.968 14.514 ( 4.259 2.313 -0.924) 4.934 14.762 ( 2.923 5.091 0.435) 5.886 15.018 ( 4.673 0.107 -1.398) 4.879 15.056 ( 1.132 -1.292 0.820) 1.904 15.157 ( 1.267 -0.053 1.791) 2.195 15.222 ( 3.125 -3.445 -1.274) 4.823 15.315 ( 1.572 -2.117 -0.363) 2.662 15.502 ( -0.572 3.329 -2.502) 4.203 15.661 ( 1.631 2.910 -1.968) 3.873 15.802 ( 10.221 0.056 -0.848) 10.256 15.889 ( -3.785 -2.861 1.155) 4.883 15.978 ( 2.885 0.113 -4.697) 5.513 16.316 ( -1.576 9.271 0.923) 9.450 16.513 ( -0.076 -0.324 -0.501) 0.602 16.603 ( -1.479 -0.537 2.228) 2.727 16.832 ( 2.163 0.835 2.492) 3.404 16.903 ( 7.008 1.685 -0.327) 7.216 16.971 ( -3.414 -7.466 0.797) 8.248 17.168 ( -5.424 1.022 -2.902) 6.236 17.252 ( -3.632 -6.644 2.763) 8.060 17.386 ( -5.257 1.572 -2.543) 6.048 17.696 ( 4.281 0.707 1.566) 4.612 18.241 ( -8.592 -5.351 -1.412) 10.220 18.569 ( -4.845 -11.492 -5.528) 13.642 18.676 ( -10.553 -16.888 1.011) 19.940 19.147 ( -11.068 2.656 3.034) 11.780 19.359 ( -10.745 4.940 16.437) 20.249 19.741 ( 6.734 6.382 1.084) 9.340 20.480 ( 9.979 18.984 -10.007) 23.667 ======================= Grid point 22 (22/72) ======================= q-point: ( 0.23 -0.23 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -21.945 15.482 -0.000) 26.857 1.311 ( -22.802 8.218 0.000) 24.238 1.785 ( -8.091 10.258 -0.000) 13.065 2.124 ( -19.063 -2.496 0.000) 19.226 2.206 ( -2.592 -0.849 0.000) 2.728 2.358 ( -10.496 10.418 -0.000) 14.789 2.555 ( -7.964 2.848 0.000) 8.458 2.620 ( -1.437 -1.258 0.000) 1.910 2.784 ( 0.119 2.998 -0.000) 3.001 2.848 ( 3.507 7.934 -0.000) 8.674 3.022 ( -1.726 2.595 -0.000) 3.116 3.379 ( 1.789 -10.978 0.000) 11.123 3.453 ( -0.698 -5.194 0.000) 5.241 3.720 ( 7.442 -3.472 -0.000) 8.212 4.228 ( 4.874 -1.384 -0.000) 5.067 4.327 ( -6.875 6.071 -0.000) 9.172 4.355 ( -0.883 7.781 -0.000) 7.831 5.066 ( 4.329 -3.809 0.000) 5.766 5.509 ( 2.468 4.200 -0.000) 4.871 5.868 ( 7.083 -11.252 0.000) 13.296 5.982 ( -4.783 3.733 -0.000) 6.067 6.308 ( 11.669 1.445 -0.000) 11.758 6.567 ( 0.196 -2.408 0.000) 2.416 6.572 ( 9.803 9.644 -0.000) 13.751 6.604 ( 4.158 -1.897 -0.000) 4.570 6.939 ( -2.484 7.433 -0.000) 7.837 6.942 ( 0.836 -5.987 0.000) 6.045 7.146 ( 9.956 4.801 -0.000) 11.053 7.193 ( -12.194 -0.710 0.000) 12.214 7.326 ( -8.719 -4.153 0.000) 9.657 7.358 ( 0.714 -10.117 0.000) 10.142 7.553 ( -5.586 -0.720 0.000) 5.632 7.883 ( 7.049 7.231 -0.000) 10.098 8.032 ( 3.439 0.694 -0.000) 3.508 8.300 ( -10.600 -9.844 0.000) 14.466 8.330 ( -15.661 -6.798 0.000) 17.073 8.648 ( -6.677 -6.349 0.000) 9.213 8.665 ( -11.447 3.306 0.000) 11.915 8.720 ( -1.074 -8.285 0.000) 8.354 8.865 ( 12.322 -2.355 -0.000) 12.545 9.153 ( -7.000 2.781 0.000) 7.532 9.274 ( -0.629 1.636 -0.000) 1.752 9.460 ( -9.590 6.653 -0.000) 11.672 9.600 ( -6.225 18.154 -0.000) 19.191 9.751 ( 12.958 -8.044 0.000) 15.252 9.995 ( -0.328 -7.405 0.000) 7.413 10.030 ( 3.866 2.628 -0.000) 4.675 10.259 ( 11.083 12.556 -0.000) 16.748 10.536 ( 12.148 3.657 -0.000) 12.687 10.666 ( -16.531 7.410 0.000) 18.115 11.226 ( 7.821 -3.234 -0.000) 8.463 11.310 ( 9.911 2.466 -0.000) 10.213 11.520 ( 2.281 -1.009 -0.000) 2.494 11.734 ( 14.257 2.417 -0.000) 14.460 11.851 ( 22.650 0.543 -0.000) 22.656 12.067 ( -6.266 -1.923 0.000) 6.555 12.301 ( 0.435 -1.151 0.000) 1.230 12.466 ( 2.266 -2.985 0.000) 3.748 12.743 ( -7.424 8.008 -0.000) 10.920 12.764 ( 1.921 -7.746 0.000) 7.981 12.968 ( 3.333 2.010 -0.000) 3.892 13.271 ( -4.972 0.298 0.000) 4.981 13.513 ( -4.194 -0.448 0.000) 4.218 13.635 ( -0.607 -7.560 0.000) 7.584 13.815 ( -2.367 -0.050 0.000) 2.368 14.052 ( -10.051 1.087 0.000) 10.109 14.134 ( 2.557 5.449 -0.000) 6.020 14.190 ( -7.579 3.860 -0.000) 8.505 14.390 ( 13.874 5.014 -0.000) 14.752 14.562 ( 8.549 -1.167 -0.000) 8.628 14.705 ( 11.159 -0.511 -0.000) 11.171 14.794 ( 2.895 -6.663 0.000) 7.265 14.908 ( 4.183 -3.178 0.000) 5.254 15.023 ( 3.256 1.213 -0.000) 3.475 15.105 ( 4.551 4.599 -0.000) 6.470 15.249 ( -2.312 3.010 -0.000) 3.795 15.251 ( 6.081 -1.637 -0.000) 6.298 15.469 ( -2.100 -2.486 0.000) 3.254 15.585 ( 4.490 -1.764 -0.000) 4.824 15.733 ( -4.908 -3.523 0.000) 6.042 15.951 ( 0.537 -0.380 0.000) 0.658 15.965 ( -3.336 -4.869 0.000) 5.902 16.497 ( -2.547 -7.550 0.000) 7.968 16.502 ( -1.411 -0.822 0.000) 1.633 16.635 ( 1.975 3.492 -0.000) 4.011 16.829 ( 1.936 2.837 -0.000) 3.434 16.836 ( 2.978 3.201 -0.000) 4.372 16.939 ( -2.060 -0.335 0.000) 2.087 17.194 ( -9.518 1.909 0.000) 9.708 17.293 ( -7.564 -2.583 0.000) 7.993 17.408 ( 2.727 -4.275 0.000) 5.071 17.599 ( 10.040 4.922 -0.000) 11.182 17.934 ( -7.070 12.155 -0.000) 14.062 18.231 ( -1.661 13.431 -0.000) 13.534 18.568 ( -7.593 8.388 -0.000) 11.314 19.137 ( -6.892 -1.112 0.000) 6.981 19.876 ( 6.689 -4.638 0.000) 8.140 20.244 ( 8.169 -9.785 0.000) 12.747 20.476 ( -8.615 -17.940 0.000) 19.901 ======================= Grid point 23 (23/72) ======================= q-point: (-0.10 0.35 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 21.000 -11.708 7.346) 25.141 1.408 ( 21.325 -9.362 9.896) 25.305 1.839 ( 5.882 -8.321 4.511) 11.144 2.139 ( 11.124 -0.030 2.767) 11.463 2.227 ( 4.665 1.759 1.256) 5.142 2.444 ( 5.548 -4.863 2.127) 7.678 2.543 ( 9.476 -1.950 2.505) 9.993 2.570 ( 2.334 -0.451 -2.740) 3.627 2.716 ( 2.220 -6.854 -4.155) 8.317 2.878 ( -5.587 -2.499 1.687) 6.349 3.178 ( 1.778 -2.209 10.823) 11.188 3.388 ( -0.006 6.817 1.660) 7.017 3.438 ( -0.483 6.622 -1.477) 6.802 3.679 ( -7.059 3.904 -4.179) 9.085 4.221 ( -2.445 1.886 -1.649) 3.501 4.307 ( 4.176 -6.933 -1.014) 8.157 4.377 ( -0.009 -8.314 2.074) 8.569 5.201 ( -4.573 4.479 12.133) 13.718 5.621 ( -5.556 0.115 7.408) 9.260 5.822 ( -3.158 0.852 -6.742) 7.494 5.960 ( -0.758 3.122 -0.316) 3.228 6.259 ( -11.738 -2.219 -4.898) 12.911 6.423 ( -1.584 0.379 -8.602) 8.755 6.473 ( -5.158 0.295 -5.032) 7.211 6.645 ( -2.979 -6.154 -0.929) 6.899 6.834 ( 2.227 -1.161 -5.518) 6.063 6.980 ( 3.079 6.282 0.545) 7.017 7.143 ( -9.278 -2.717 2.398) 9.960 7.314 ( 5.255 4.464 3.629) 7.792 7.386 ( 10.537 -1.557 8.501) 13.628 7.485 ( 2.657 6.670 8.838) 11.387 7.537 ( 5.576 2.171 -0.402) 5.998 7.867 ( -3.898 -5.231 -1.166) 6.627 8.063 ( -4.176 -1.503 2.356) 5.025 8.207 ( 11.584 3.068 -5.418) 13.152 8.352 ( 7.377 12.477 -2.253) 14.668 8.561 ( 9.930 1.211 -3.019) 10.449 8.676 ( 5.720 6.991 1.242) 9.118 8.791 ( -4.065 4.275 -0.911) 5.969 8.878 ( -3.264 0.592 6.816) 7.581 9.089 ( 4.749 -3.196 -2.900) 6.417 9.431 ( 6.583 1.698 6.043) 9.096 9.491 ( -5.083 -7.149 6.421) 10.871 9.620 ( 7.196 -14.196 2.141) 16.059 9.720 ( -8.510 6.026 -2.390) 10.698 9.955 ( 2.023 3.257 -2.721) 4.701 10.057 ( -3.412 -1.315 1.578) 3.983 10.288 ( -11.782 -12.075 2.056) 16.996 10.544 ( -13.985 -2.968 1.528) 14.377 10.630 ( 10.519 -6.526 -4.426) 13.146 11.176 ( -6.972 0.750 -4.333) 8.243 11.272 ( -8.296 -1.592 -1.988) 8.678 11.534 ( -3.243 2.170 1.222) 4.089 11.768 ( -7.208 -5.075 -2.589) 9.187 11.837 ( -20.107 0.990 4.463) 20.620 12.096 ( 1.159 1.929 1.597) 2.760 12.302 ( -1.003 1.750 0.024) 2.017 12.438 ( -0.326 2.148 -2.124) 3.038 12.634 ( 3.404 -3.275 -6.290) 7.866 12.857 ( -0.263 0.901 3.222) 3.356 12.970 ( -2.146 0.439 1.205) 2.500 13.316 ( 5.291 0.440 4.131) 6.727 13.523 ( 4.796 0.774 1.177) 4.998 13.670 ( -0.161 6.679 2.466) 7.121 13.815 ( 0.223 -0.141 0.233) 0.352 13.993 ( 7.282 -1.101 -4.776) 8.778 14.147 ( 0.600 -4.257 0.593) 4.340 14.231 ( 6.290 -3.787 3.228) 8.020 14.349 ( -11.710 -6.316 -3.443) 13.743 14.482 ( -9.509 2.679 -4.811) 10.988 14.676 ( -8.664 5.479 -3.729) 10.908 14.815 ( -5.659 1.412 2.760) 6.452 14.960 ( -3.063 1.739 3.029) 4.645 15.047 ( -1.840 -0.630 1.824) 2.667 15.107 ( -5.479 -4.354 -0.430) 7.012 15.221 ( 0.952 1.000 -1.003) 1.706 15.261 ( -4.407 -0.522 0.899) 4.527 15.510 ( 2.595 2.495 3.189) 4.809 15.631 ( -4.741 0.728 4.189) 6.368 15.771 ( 0.105 3.883 2.935) 4.869 15.906 ( 1.584 -0.146 -3.639) 3.972 15.976 ( 0.758 4.165 0.968) 4.342 16.495 ( 2.104 5.210 0.326) 5.628 16.517 ( 2.629 3.522 1.036) 4.515 16.634 ( -1.507 -1.363 -0.239) 2.046 16.808 ( -1.703 -4.827 -1.636) 5.374 16.856 ( -0.123 -2.805 0.321) 2.826 16.944 ( -0.982 0.966 1.711) 2.196 17.170 ( 8.344 0.665 -2.632) 8.774 17.255 ( -3.768 -1.234 -8.870) 9.716 17.342 ( 5.462 0.501 3.177) 6.339 17.677 ( -5.098 -1.481 3.944) 6.614 17.981 ( 4.896 -14.518 3.444) 15.703 18.259 ( 1.849 -11.078 3.043) 11.636 18.447 ( 6.796 -9.900 -9.483) 15.301 19.196 ( 8.912 1.674 3.675) 9.784 19.827 ( 1.044 4.511 -10.514) 11.488 19.967 ( 4.211 9.785 -11.485) 15.664 20.664 ( -4.303 15.997 10.404) 19.562 ======================= Grid point 24 (24/72) ======================= q-point: ( 0.40 0.35 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 9.332 -5.727 8.840) 14.072 1.951 ( 2.701 3.381 0.244) 4.335 2.068 ( 4.395 1.326 3.158) 5.572 2.139 ( 0.115 2.692 -2.193) 3.474 2.189 ( 10.526 -4.752 -0.028) 11.549 2.490 ( -1.554 1.419 -0.216) 2.116 2.542 ( -0.382 4.189 -0.548) 4.242 2.587 ( 4.901 -0.036 5.322) 7.235 2.773 ( 0.904 -4.493 -1.886) 4.956 2.938 ( 2.431 1.736 -0.628) 3.053 3.180 ( 2.793 -0.559 -3.117) 4.223 3.281 ( -2.047 0.157 -4.753) 5.177 3.466 ( 3.114 4.227 -1.324) 5.414 3.713 ( -4.503 -2.827 6.173) 8.147 4.077 ( -4.614 -0.094 -0.633) 4.658 4.526 ( 1.430 12.154 0.410) 12.245 4.739 ( -0.691 7.166 5.675) 9.167 5.146 ( -6.655 -3.371 -13.429) 15.362 5.360 ( 1.578 -8.088 -2.315) 8.559 5.782 ( 3.696 -4.439 -0.552) 5.802 5.913 ( -8.688 6.644 -0.814) 10.967 6.215 ( -0.904 -2.890 4.885) 5.747 6.417 ( -0.252 3.863 6.166) 7.281 6.507 ( 1.957 -3.200 2.268) 4.384 6.600 ( 0.271 3.628 -1.663) 4.001 6.734 ( -3.971 8.140 -2.526) 9.403 6.817 ( 3.230 4.554 -5.292) 7.693 7.179 ( -1.697 -11.460 -1.249) 11.652 7.269 ( 1.978 -3.986 -0.784) 4.518 7.433 ( 0.286 -0.916 1.845) 2.079 7.563 ( -0.260 -4.671 -0.483) 4.703 7.655 ( 2.515 -9.898 6.477) 12.093 7.910 ( 7.695 -4.699 -0.109) 9.017 7.980 ( 7.496 5.796 -0.087) 9.476 8.055 ( 6.531 -0.590 0.140) 6.560 8.151 ( 4.002 -5.153 -1.159) 6.626 8.463 ( 1.574 -2.265 -2.711) 3.868 8.632 ( -6.632 1.191 -0.304) 6.745 8.714 ( 0.224 -3.781 4.595) 5.954 9.008 ( 5.785 -0.978 -0.529) 5.890 9.142 ( -4.549 0.665 -5.528) 7.190 9.452 ( 0.486 -3.115 3.453) 4.676 9.562 ( 3.318 -3.052 1.998) 4.932 9.685 ( -0.574 -3.747 1.139) 3.958 9.827 ( -2.676 4.084 1.457) 5.096 10.092 ( 2.245 -5.799 1.296) 6.352 10.278 ( -4.323 15.079 3.510) 16.075 10.323 ( -2.469 3.615 -3.341) 5.507 10.517 ( -1.153 5.625 -5.039) 7.640 10.830 ( -16.435 5.639 4.283) 17.895 11.046 ( -11.410 -1.778 -1.385) 11.630 11.310 ( -2.367 4.509 0.012) 5.092 11.564 ( -10.002 -0.572 2.727) 10.383 11.812 ( -4.732 3.080 0.016) 5.646 11.897 ( -6.999 -3.144 -3.014) 8.244 12.117 ( 4.884 0.640 3.812) 6.229 12.196 ( -6.166 -4.499 -0.561) 7.653 12.366 ( 0.228 1.731 -7.251) 7.458 12.490 ( -0.302 1.227 0.906) 1.555 12.866 ( -1.292 3.405 -0.899) 3.751 13.048 ( 2.777 -3.455 3.497) 5.645 13.362 ( 5.602 -1.751 -0.535) 5.893 13.520 ( 4.252 -3.308 -1.105) 5.500 13.605 ( -1.090 -4.201 0.732) 4.402 13.806 ( 2.158 -0.914 -1.682) 2.885 13.961 ( 1.632 3.865 0.679) 4.250 14.187 ( -10.903 1.268 -4.000) 11.683 14.270 ( 1.370 7.757 0.081) 7.877 14.377 ( 3.893 -0.997 3.465) 5.306 14.511 ( -10.861 -4.543 4.701) 12.677 14.551 ( -1.988 -0.125 1.988) 2.814 14.732 ( -4.813 -3.431 -1.923) 6.215 14.975 ( -5.260 -2.354 -4.202) 7.132 15.052 ( -1.084 4.454 -0.314) 4.595 15.132 ( -2.591 0.602 -0.879) 2.801 15.249 ( -2.826 1.649 1.310) 3.524 15.328 ( 0.488 0.313 0.604) 0.837 15.550 ( -2.819 -3.376 2.596) 5.107 15.673 ( 0.342 -2.416 -0.628) 2.520 15.755 ( -5.947 -0.203 -3.404) 6.855 15.895 ( 0.170 1.825 0.694) 1.960 16.071 ( -8.768 -2.454 3.384) 9.714 16.326 ( 3.156 -8.298 1.454) 8.996 16.520 ( 0.092 0.858 0.620) 1.063 16.576 ( 1.765 0.532 -0.330) 1.873 16.770 ( -1.353 -0.155 -3.439) 3.699 16.899 ( -5.488 0.765 -0.406) 5.556 16.997 ( 3.705 7.882 3.154) 9.262 17.195 ( 6.093 6.048 -2.791) 9.027 17.258 ( 2.883 -1.235 5.765) 6.563 17.428 ( 2.268 -3.697 1.574) 4.614 17.612 ( -3.266 -1.125 -6.796) 7.624 18.263 ( 8.060 8.654 0.842) 11.856 18.650 ( 6.673 8.106 2.642) 10.826 18.694 ( 8.429 17.868 2.615) 19.929 18.990 ( 14.347 5.384 -11.065) 18.902 19.175 ( 11.621 -8.295 -3.089) 14.608 19.720 ( -5.748 -8.612 -1.008) 10.403 20.661 ( -11.836 -18.252 7.511) 23.014 ======================= Grid point 25 (25/72) ======================= q-point: ( 0.07 -0.07 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -24.548 -0.000 0.000) 24.548 0.643 ( -31.667 -0.000 0.000) 31.667 1.138 ( -55.525 -0.000 0.000) 55.525 1.568 ( -5.730 -0.000 0.000) 5.730 2.162 ( -2.115 -0.000 0.000) 2.115 2.285 ( 0.911 0.000 -0.000) 0.911 2.310 ( -6.541 -0.000 0.000) 6.541 2.668 ( 2.737 0.000 -0.000) 2.737 2.795 ( 1.922 0.000 -0.000) 1.922 2.826 ( 3.120 0.000 -0.000) 3.120 3.026 ( 0.909 0.000 -0.000) 0.909 3.450 ( -6.204 -0.000 0.000) 6.204 3.551 ( 1.571 0.000 -0.000) 1.571 3.877 ( 4.638 0.000 -0.000) 4.638 4.097 ( -6.844 -0.000 0.000) 6.844 4.288 ( 1.069 0.000 -0.000) 1.069 4.292 ( 2.785 0.000 -0.000) 2.785 5.314 ( 7.851 0.000 -0.000) 7.851 5.397 ( -0.700 -0.000 0.000) 0.700 5.873 ( -0.987 -0.000 0.000) 0.987 6.225 ( 5.986 0.000 -0.000) 5.986 6.460 ( 4.957 0.000 -0.000) 4.957 6.589 ( -4.287 -0.000 0.000) 4.287 6.636 ( -0.133 -0.000 0.000) 0.133 6.658 ( 12.291 0.000 -0.000) 12.291 6.810 ( -2.380 -0.000 0.000) 2.380 7.008 ( 3.840 0.000 -0.000) 3.840 7.072 ( 5.368 0.000 -0.000) 5.368 7.160 ( -2.983 -0.000 0.000) 2.983 7.374 ( 1.469 0.000 -0.000) 1.469 7.437 ( -5.227 -0.000 0.000) 5.227 7.573 ( 7.674 0.000 -0.000) 7.674 7.741 ( -10.351 -0.000 0.000) 10.351 8.035 ( -12.746 -0.000 0.000) 12.746 8.054 ( -14.036 -0.000 0.000) 14.036 8.116 ( 3.755 0.000 -0.000) 3.755 8.505 ( -2.652 -0.000 0.000) 2.652 8.623 ( -2.891 -0.000 0.000) 2.891 8.787 ( -14.605 -0.000 0.000) 14.605 9.004 ( -4.578 -0.000 0.000) 4.578 9.145 ( -9.562 -0.000 0.000) 9.562 9.191 ( 11.941 0.000 -0.000) 11.941 9.299 ( 6.878 0.000 -0.000) 6.878 9.456 ( 16.769 0.000 -0.000) 16.769 9.855 ( -10.680 -0.000 0.000) 10.680 10.173 ( 7.869 0.000 -0.000) 7.869 10.174 ( -19.773 -0.000 0.000) 19.773 10.209 ( 13.105 0.000 -0.000) 13.105 10.270 ( 4.560 0.000 -0.000) 4.560 10.630 ( 1.608 0.000 -0.000) 1.608 11.353 ( -1.311 -0.000 0.000) 1.311 11.496 ( 14.809 0.000 -0.000) 14.809 11.525 ( 0.020 0.000 -0.000) 0.020 11.945 ( 10.272 0.000 -0.000) 10.272 12.000 ( -6.920 -0.000 0.000) 6.920 12.286 ( -0.674 -0.000 0.000) 0.674 12.338 ( 20.882 0.000 -0.000) 20.882 12.357 ( -8.399 -0.000 0.000) 8.399 12.819 ( 16.459 0.000 -0.000) 16.459 12.891 ( -3.675 -0.000 0.000) 3.675 12.934 ( 1.528 0.000 -0.000) 1.528 13.193 ( -2.383 -0.000 0.000) 2.383 13.385 ( -9.569 -0.000 0.000) 9.569 13.709 ( -1.980 -0.000 0.000) 1.980 13.801 ( 0.327 0.000 -0.000) 0.327 13.856 ( -5.705 -0.000 0.000) 5.705 13.988 ( -6.239 -0.000 0.000) 6.239 14.073 ( -1.422 -0.000 0.000) 1.422 14.470 ( 6.556 0.000 -0.000) 6.556 14.774 ( 8.779 0.000 -0.000) 8.779 14.881 ( 6.001 0.000 -0.000) 6.001 15.022 ( 7.040 0.000 -0.000) 7.040 15.060 ( 4.123 0.000 -0.000) 4.123 15.104 ( 4.691 0.000 -0.000) 4.691 15.117 ( -4.101 -0.000 0.000) 4.101 15.152 ( 6.275 0.000 -0.000) 6.275 15.391 ( 4.459 0.000 -0.000) 4.459 15.440 ( -3.499 -0.000 0.000) 3.499 15.585 ( -0.352 -0.000 0.000) 0.352 15.702 ( -4.451 -0.000 0.000) 4.451 15.959 ( -0.276 -0.000 0.000) 0.276 16.010 ( -3.252 -0.000 0.000) 3.252 16.480 ( -1.202 -0.000 0.000) 1.202 16.596 ( -4.186 -0.000 0.000) 4.186 16.741 ( 11.308 0.000 -0.000) 11.308 16.803 ( 1.714 0.000 -0.000) 1.714 16.822 ( 1.052 0.000 -0.000) 1.052 16.977 ( -7.444 -0.000 0.000) 7.444 16.984 ( -2.411 -0.000 0.000) 2.411 17.170 ( -7.108 -0.000 0.000) 7.108 17.547 ( 3.685 0.000 -0.000) 3.685 17.569 ( 4.199 0.000 -0.000) 4.199 17.693 ( -3.078 -0.000 0.000) 3.078 18.026 ( -1.428 -0.000 0.000) 1.428 18.354 ( -5.884 -0.000 0.000) 5.884 19.006 ( -6.461 -0.000 0.000) 6.461 20.032 ( 3.942 0.000 -0.000) 3.942 20.471 ( 4.416 0.000 -0.000) 4.416 20.611 ( -3.577 -0.000 0.000) 3.577 ======================= Grid point 26 (26/72) ======================= q-point: (-0.43 -0.07 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -10.470 0.000 0.000) 10.470 1.771 ( -11.761 0.000 0.000) 11.761 1.901 ( -12.457 0.000 0.000) 12.457 2.072 ( 1.101 0.000 -0.000) 1.101 2.182 ( -1.420 0.000 -0.000) 1.420 2.468 ( 5.811 0.000 0.000) 5.811 2.496 ( 0.183 -0.000 -0.000) 0.183 2.739 ( 4.353 -0.000 0.000) 4.353 2.744 ( -0.397 0.000 0.000) 0.397 2.915 ( -5.080 -0.000 0.000) 5.080 3.074 ( -7.839 0.000 0.000) 7.839 3.325 ( 0.058 0.000 0.000) 0.058 3.477 ( -2.349 0.000 0.000) 2.349 3.681 ( 3.492 0.000 -0.000) 3.492 4.182 ( 5.666 0.000 0.000) 5.666 4.753 ( 0.851 0.000 -0.000) 0.851 4.801 ( -0.198 0.000 0.000) 0.198 5.180 ( 3.737 0.000 0.000) 3.737 5.278 ( -0.725 -0.000 0.000) 0.725 5.756 ( -5.126 0.000 0.000) 5.126 5.911 ( 2.224 -0.000 0.000) 2.224 6.261 ( 1.314 0.000 -0.000) 1.314 6.439 ( 5.590 0.000 0.000) 5.590 6.573 ( 11.413 0.000 -0.000) 11.413 6.774 ( -3.211 0.000 0.000) 3.211 6.979 ( 0.597 0.000 0.000) 0.597 7.052 ( -0.861 -0.000 -0.000) 0.861 7.057 ( -5.123 0.000 0.000) 5.123 7.091 ( 12.006 -0.000 0.000) 12.006 7.310 ( -2.634 -0.000 0.000) 2.634 7.310 ( -7.872 0.000 -0.000) 7.872 7.340 ( -1.977 0.000 -0.000) 1.977 7.710 ( -13.752 0.000 0.000) 13.752 7.781 ( -16.524 0.000 0.000) 16.524 8.056 ( 6.496 0.000 0.000) 6.496 8.161 ( 2.997 0.000 0.000) 2.997 8.409 ( -1.298 0.000 0.000) 1.298 8.600 ( 0.286 0.000 0.000) 0.286 8.756 ( 6.878 0.000 0.000) 6.878 8.948 ( -5.860 0.000 0.000) 5.860 9.259 ( -7.382 0.000 0.000) 7.382 9.393 ( -6.700 -0.000 0.000) 6.700 9.404 ( 0.363 0.000 -0.000) 0.363 9.654 ( 8.960 0.000 0.000) 8.960 9.863 ( -0.809 0.000 0.000) 0.809 9.920 ( -1.168 0.000 0.000) 1.168 10.442 ( 3.900 0.000 0.000) 3.900 10.664 ( -3.170 0.000 -0.000) 3.170 10.674 ( 18.429 0.000 0.000) 18.429 11.072 ( 9.994 0.000 0.000) 9.994 11.166 ( 6.071 -0.000 -0.000) 6.071 11.516 ( 6.792 0.000 0.000) 6.792 11.633 ( -16.607 -0.000 0.000) 16.607 11.721 ( 12.594 0.000 0.000) 12.594 11.964 ( -4.894 0.000 0.000) 4.894 12.190 ( 6.558 0.000 0.000) 6.558 12.242 ( 3.041 0.000 0.000) 3.041 12.480 ( 1.289 0.000 0.000) 1.289 12.702 ( 10.448 -0.000 0.000) 10.448 12.837 ( 0.744 0.000 -0.000) 0.744 12.956 ( -0.021 0.000 0.000) 0.021 13.329 ( -1.515 -0.000 0.000) 1.515 13.404 ( -6.386 0.000 -0.000) 6.386 13.420 ( -4.158 0.000 0.000) 4.158 13.860 ( 1.416 0.000 0.000) 1.416 13.926 ( -2.198 0.000 -0.000) 2.198 14.107 ( -6.968 0.000 0.000) 6.968 14.453 ( 4.543 0.000 0.000) 4.543 14.560 ( 3.401 0.000 -0.000) 3.401 14.580 ( 6.207 0.000 0.000) 6.207 14.681 ( 9.518 0.000 0.000) 9.518 14.701 ( 6.042 0.000 0.000) 6.042 15.060 ( -1.336 0.000 0.000) 1.336 15.095 ( 2.160 0.000 0.000) 2.160 15.219 ( 3.655 0.000 0.000) 3.655 15.262 ( -1.135 0.000 0.000) 1.135 15.338 ( -7.366 0.000 0.000) 7.366 15.437 ( 6.297 0.000 0.000) 6.297 15.773 ( 9.573 0.000 0.000) 9.573 15.778 ( -8.086 0.000 0.000) 8.086 15.908 ( 1.248 0.000 0.000) 1.248 16.209 ( -1.364 0.000 0.000) 1.364 16.228 ( 14.366 0.000 -0.000) 14.366 16.522 ( 0.232 0.000 0.000) 0.232 16.637 ( 3.307 0.000 0.000) 3.307 16.847 ( 2.715 0.000 0.000) 2.715 16.990 ( -0.912 0.000 -0.000) 0.912 17.005 ( -5.095 -0.000 0.000) 5.095 17.081 ( 7.395 0.000 0.000) 7.395 17.204 ( -7.978 -0.000 0.000) 7.978 17.245 ( -4.634 0.000 -0.000) 4.634 17.747 ( -1.050 0.000 0.000) 1.050 18.137 ( -3.486 0.000 0.000) 3.486 18.197 ( -25.435 0.000 -0.000) 25.435 18.730 ( -9.101 0.000 0.000) 9.101 19.045 ( -1.068 0.000 -0.000) 1.068 19.187 ( -3.974 0.000 -0.000) 3.974 19.894 ( 5.780 0.000 0.000) 5.780 20.405 ( 7.689 0.000 0.000) 7.689 ======================= Grid point 28 (27/72) ======================= q-point: ( 0.24 -0.49 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -3.063 14.405 2.961) 15.021 1.984 ( -8.166 -0.816 -6.354) 10.379 2.109 ( -1.639 -2.459 2.534) 3.893 2.136 ( 9.977 -0.298 4.997) 11.162 2.305 ( -0.258 1.038 0.595) 1.224 2.396 ( -1.196 -2.966 2.196) 3.879 2.546 ( 6.763 6.925 -0.837) 9.715 2.683 ( -1.753 -2.070 2.500) 3.689 2.830 ( 7.671 2.182 2.006) 8.223 2.951 ( -3.974 -0.968 3.448) 5.349 3.192 ( -6.182 0.340 -3.633) 7.179 3.235 ( 3.725 -2.284 -11.365) 12.176 3.446 ( 0.430 -0.288 0.384) 0.644 3.710 ( -3.530 -4.279 5.770) 8.004 4.074 ( 2.849 -0.226 -4.584) 5.402 4.360 ( 1.499 6.559 1.039) 6.808 4.525 ( -3.389 8.182 6.859) 11.202 5.072 ( 0.102 2.496 -17.141) 17.322 5.532 ( -0.225 -6.507 -0.432) 6.525 5.742 ( -1.666 -1.756 -0.829) 2.559 5.933 ( 1.367 -4.564 0.989) 4.866 6.073 ( -3.560 8.798 11.392) 14.828 6.401 ( 4.060 6.921 -1.115) 8.102 6.421 ( -4.085 0.452 1.985) 4.564 6.585 ( -2.434 -2.684 4.079) 5.456 6.718 ( 8.681 4.239 -3.990) 10.452 6.981 ( 4.820 -10.614 -6.311) 13.256 7.106 ( -9.935 4.085 5.278) 11.969 7.417 ( 2.114 -5.159 -3.006) 6.334 7.566 ( 4.730 -9.777 -1.825) 11.013 7.592 ( 2.294 4.648 -4.090) 6.602 7.788 ( -7.127 -5.584 -0.361) 9.061 7.924 ( -6.326 3.276 3.849) 8.097 8.007 ( -5.285 -0.360 -0.311) 5.306 8.258 ( 15.959 0.719 -1.883) 16.086 8.365 ( -1.633 -3.970 1.156) 4.446 8.447 ( 0.046 -4.120 2.814) 4.990 8.737 ( -1.748 -2.812 4.104) 5.273 8.885 ( 11.303 -14.667 -4.228) 18.993 9.051 ( -8.775 -9.317 -1.958) 12.947 9.190 ( 9.859 6.640 2.912) 12.239 9.410 ( -3.422 -1.323 6.517) 7.479 9.545 ( -9.667 -0.337 -1.712) 9.824 9.726 ( -7.213 0.104 -0.734) 7.251 9.788 ( 6.393 6.578 -0.306) 9.178 9.976 ( -0.939 5.911 3.649) 7.010 10.010 ( -8.608 9.791 -0.140) 13.038 10.214 ( -2.720 1.790 -0.351) 3.275 10.439 ( 10.953 5.918 4.059) 13.094 10.568 ( 16.192 6.853 -3.437) 17.916 10.767 ( -19.597 1.065 -3.237) 19.891 11.242 ( 3.243 4.339 -0.745) 5.468 11.349 ( -8.438 1.377 -0.500) 8.565 11.538 ( -13.248 -6.594 -0.223) 14.800 11.815 ( -8.852 6.087 2.946) 11.139 12.136 ( 2.765 -3.687 -3.678) 5.897 12.266 ( 3.905 -0.389 2.074) 4.438 12.435 ( -0.098 -0.441 1.971) 2.022 12.585 ( 7.808 -3.578 -3.069) 9.121 12.803 ( 1.350 1.977 -0.557) 2.458 13.060 ( -4.591 0.775 2.053) 5.088 13.546 ( 3.370 -5.920 0.470) 6.828 13.563 ( -5.130 -2.491 -1.278) 5.845 13.715 ( 1.746 -3.238 -5.113) 6.299 13.828 ( -1.096 4.456 1.277) 4.763 13.911 ( 6.168 0.338 2.319) 6.598 14.069 ( -0.766 -0.158 0.096) 0.788 14.232 ( 6.851 4.809 -0.622) 8.394 14.358 ( -1.830 0.402 2.839) 3.401 14.486 ( -6.676 -3.373 4.754) 8.863 14.511 ( -5.987 -3.921 1.728) 7.363 14.719 ( 1.800 -0.259 -2.423) 3.029 14.856 ( -7.523 3.282 -1.778) 8.398 14.963 ( 1.290 3.240 -2.975) 4.584 15.051 ( -0.648 0.890 -1.566) 1.914 15.198 ( -4.009 -2.508 -0.735) 4.785 15.316 ( -0.551 0.020 1.965) 2.041 15.557 ( -2.384 -3.232 -0.098) 4.017 15.641 ( -5.658 -2.622 -1.333) 6.377 15.775 ( 3.087 -0.043 0.070) 3.088 15.877 ( 2.593 2.215 0.538) 3.452 16.000 ( -1.097 -2.255 1.327) 2.837 16.532 ( 0.244 0.048 -2.162) 2.177 16.565 ( -1.254 -0.281 0.631) 1.432 16.611 ( 0.236 0.228 0.292) 0.440 16.755 ( 4.016 -5.505 -2.308) 7.194 16.793 ( -0.827 0.013 -4.038) 4.121 16.931 ( 0.742 1.736 2.431) 3.078 17.130 ( 0.938 4.499 8.519) 9.679 17.335 ( 3.638 -0.104 1.179) 3.826 17.461 ( -2.889 1.965 0.709) 3.565 17.636 ( -1.426 -4.324 -5.328) 7.008 18.092 ( 3.240 18.918 1.086) 19.225 18.219 ( 0.376 14.236 -5.003) 15.094 18.576 ( 0.943 7.416 9.601) 12.168 19.329 ( 7.085 -2.292 -7.511) 10.576 19.596 ( 10.390 -7.712 -5.055) 13.892 19.891 ( 2.670 -9.418 1.970) 9.985 20.800 ( -9.015 -13.783 3.925) 16.931 ======================= Grid point 29 (28/72) ======================= q-point: (-0.26 0.51 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 13.597 2.349 5.823) 14.977 1.848 ( 8.211 -3.932 7.303) 11.671 2.121 ( 1.050 -10.824 0.159) 10.876 2.230 ( -0.642 -0.013 1.767) 1.880 2.288 ( 5.294 0.144 -4.227) 6.776 2.421 ( -4.355 -1.974 -3.357) 5.843 2.618 ( -0.039 1.505 -2.939) 3.302 2.722 ( -3.234 4.350 -5.013) 7.383 2.769 ( 9.266 -1.351 4.117) 10.230 2.971 ( 0.945 -5.120 -0.385) 5.220 3.256 ( -2.994 -1.239 4.906) 5.879 3.365 ( -8.648 -4.439 0.982) 9.770 3.401 ( 5.478 4.530 1.029) 7.182 3.533 ( 6.962 -4.093 -1.888) 8.294 4.063 ( -3.844 4.234 -0.850) 5.782 4.555 ( 0.074 -9.260 1.367) 9.360 4.576 ( 3.627 -5.050 1.271) 6.347 5.120 ( -0.447 0.023 9.812) 9.822 5.382 ( -0.845 8.392 0.630) 8.458 5.753 ( -3.915 -1.824 0.549) 4.354 6.036 ( -3.191 -0.010 -0.578) 3.243 6.162 ( -2.673 -7.498 -9.431) 12.342 6.395 ( 0.541 2.808 -8.653) 9.113 6.460 ( 2.981 -2.471 1.157) 4.041 6.623 ( -2.630 4.222 -1.424) 5.174 6.794 ( -1.393 -0.026 -2.402) 2.777 6.990 ( -6.885 0.044 2.017) 7.174 7.075 ( 1.227 -2.573 -0.509) 2.896 7.244 ( 2.516 7.324 5.305) 9.387 7.304 ( 2.713 6.763 5.939) 9.401 7.598 ( 4.162 3.473 -2.648) 6.033 7.716 ( 13.128 -2.562 8.817) 16.020 7.873 ( -4.994 -2.901 -1.369) 5.936 8.001 ( -3.298 -1.005 1.689) 3.839 8.150 ( 5.049 11.228 -1.596) 12.414 8.301 ( -0.038 3.067 -2.822) 4.168 8.456 ( -4.135 2.566 -1.369) 5.055 8.589 ( 1.249 1.459 -1.828) 2.652 8.803 ( -4.074 3.314 -1.988) 5.615 9.037 ( 6.452 1.873 9.116) 11.324 9.301 ( -4.629 -0.271 -5.948) 7.542 9.315 ( 14.110 -3.100 -5.223) 15.362 9.468 ( 1.154 -2.737 3.446) 4.549 9.644 ( -5.571 -1.210 3.506) 6.693 9.848 ( -0.724 4.537 -2.888) 5.426 10.001 ( 7.067 -5.807 2.170) 9.401 10.249 ( -5.002 -4.434 -1.982) 6.972 10.289 ( -10.835 -3.932 -3.344) 12.001 10.474 ( 13.028 -11.531 4.490) 17.968 10.893 ( -3.838 -0.100 -4.247) 5.725 10.969 ( -3.975 -5.561 -4.067) 7.955 11.200 ( -5.072 4.851 1.608) 7.200 11.359 ( -7.935 -2.746 3.829) 9.229 11.426 ( -9.916 1.292 0.250) 10.003 11.872 ( 0.907 -7.573 1.722) 7.819 12.106 ( -2.654 1.374 1.656) 3.416 12.217 ( 3.792 4.469 -2.057) 6.211 12.425 ( -0.000 -0.517 -0.110) 0.529 12.554 ( -1.983 7.064 0.699) 7.370 12.884 ( -3.564 -0.453 -1.829) 4.031 13.035 ( 5.210 -3.871 -1.639) 6.694 13.386 ( 3.601 2.923 1.357) 4.832 13.524 ( 0.083 1.934 2.480) 3.146 13.638 ( 5.218 -0.253 4.026) 6.596 13.834 ( 0.902 0.234 -1.893) 2.110 14.108 ( -8.189 -3.120 -4.396) 9.804 14.119 ( -7.516 3.244 3.775) 9.015 14.185 ( 6.266 3.637 -2.317) 7.606 14.338 ( -5.762 -2.348 -7.419) 9.683 14.406 ( 3.188 -0.935 1.926) 3.840 14.492 ( -2.634 0.570 -1.220) 2.958 14.736 ( 1.079 1.389 0.856) 1.957 14.861 ( -2.968 0.259 4.562) 5.449 15.049 ( -0.500 -1.788 -0.706) 1.986 15.137 ( -2.554 -2.579 1.279) 3.848 15.157 ( -1.128 -3.578 0.999) 3.882 15.294 ( -0.070 -1.074 -1.083) 1.527 15.445 ( 0.506 4.833 0.961) 4.953 15.488 ( -2.307 2.454 4.958) 5.994 15.775 ( 3.236 1.113 -1.054) 3.580 15.933 ( -0.382 0.442 -0.145) 0.602 16.006 ( 1.461 -4.243 -1.462) 4.720 16.349 ( 0.860 9.763 -0.293) 9.806 16.511 ( 0.290 0.594 -0.159) 0.680 16.680 ( 1.645 -0.541 -2.248) 2.838 16.763 ( -4.792 0.539 0.613) 4.861 16.805 ( -2.426 1.481 0.745) 2.938 17.050 ( 0.331 -7.908 -2.924) 8.438 17.272 ( 4.525 3.047 -2.952) 6.203 17.327 ( -0.655 -7.063 -1.863) 7.334 17.436 ( 3.515 -0.156 2.379) 4.247 17.568 ( -3.057 1.733 5.903) 6.870 18.409 ( 6.560 -9.372 -1.749) 11.572 18.531 ( 1.997 -16.809 3.366) 17.258 18.868 ( 3.115 -17.383 -4.473) 18.217 19.293 ( 5.466 2.801 5.394) 8.174 19.593 ( -9.674 5.746 -0.609) 11.268 19.713 ( -4.470 15.394 -5.337) 16.895 20.251 ( 4.205 20.552 0.502) 20.984 ======================= Grid point 30 (29/72) ======================= q-point: ( 0.42 0.08 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 2.699 19.860) 20.043 1.489 ( 0.000 10.400 16.836) 19.789 1.811 ( -0.000 -2.677 -4.846) 5.537 2.024 ( -0.000 6.197 -0.438) 6.212 2.221 ( 0.000 -5.092 -4.600) 6.862 2.439 ( -0.000 14.443 16.901) 22.232 2.455 ( 0.000 2.402 6.928) 7.333 2.683 ( -0.000 4.392 -7.491) 8.684 2.723 ( -0.000 5.581 -3.436) 6.554 2.874 ( 0.000 -9.972 -8.625) 13.185 3.088 ( 0.000 -3.405 2.083) 3.992 3.335 ( 0.000 -1.065 0.364) 1.125 3.486 ( 0.000 -2.723 12.216) 12.515 3.717 ( -0.000 -0.203 -7.367) 7.370 4.271 ( 0.000 -2.176 -1.007) 2.398 4.446 ( -0.000 18.330 -1.609) 18.400 4.676 ( -0.000 9.233 3.936) 10.037 5.361 ( 0.000 -6.812 6.099) 9.144 5.599 ( -0.000 3.947 -14.620) 15.144 5.630 ( 0.000 -26.115 4.861) 26.563 6.053 ( 0.000 -1.238 2.399) 2.700 6.190 ( 0.000 -0.114 3.608) 3.610 6.603 ( -0.000 8.127 -3.585) 8.883 6.649 ( -0.000 -4.670 -8.406) 9.616 6.753 ( -0.000 -0.358 -5.046) 5.059 6.782 ( -0.000 10.413 -4.369) 11.292 6.919 ( -0.000 4.237 -9.647) 10.536 7.034 ( 0.000 -4.022 -1.499) 4.292 7.179 ( -0.000 3.303 3.335) 4.693 7.298 ( -0.000 -0.846 -2.211) 2.367 7.393 ( 0.000 -10.167 8.219) 13.074 7.436 ( -0.000 2.773 -2.827) 3.960 7.560 ( 0.000 -14.408 9.637) 17.334 7.843 ( 0.000 -14.472 6.869) 16.020 8.049 ( -0.000 7.176 -2.783) 7.697 8.275 ( 0.000 -6.991 -2.213) 7.333 8.394 ( -0.000 1.327 0.589) 1.452 8.591 ( 0.000 0.122 2.078) 2.081 8.639 ( -0.000 14.289 -1.088) 14.330 8.891 ( 0.000 -5.725 -0.231) 5.730 9.284 ( -0.000 2.246 1.840) 2.904 9.332 ( -0.000 1.495 -1.849) 2.378 9.433 ( 0.000 -12.568 -2.300) 12.777 9.762 ( 0.000 -1.601 3.641) 3.978 9.879 ( 0.000 -2.507 7.775) 8.169 9.991 ( 0.000 -4.327 -0.268) 4.335 10.464 ( 0.000 3.937 9.232) 10.036 10.468 ( -0.000 11.543 -3.158) 11.967 10.956 ( -0.000 1.687 -6.165) 6.392 11.104 ( 0.000 3.591 6.088) 7.068 11.292 ( 0.000 -3.489 1.393) 3.757 11.337 ( -0.000 0.805 -4.423) 4.496 11.599 ( 0.000 1.475 3.238) 3.558 11.721 ( -0.000 11.328 -8.794) 14.341 11.918 ( -0.000 0.174 -1.927) 1.935 12.294 ( 0.000 -8.516 0.817) 8.555 12.314 ( 0.000 -0.727 3.259) 3.340 12.467 ( -0.000 1.461 1.861) 2.366 12.864 ( 0.000 0.716 2.640) 2.735 12.900 ( -0.000 -0.095 -2.644) 2.646 12.933 ( -0.000 -1.452 -5.135) 5.337 13.110 ( -0.000 4.812 -5.442) 7.264 13.367 ( -0.000 1.350 0.314) 1.387 13.604 ( 0.000 -12.823 7.832) 15.026 13.873 ( -0.000 0.705 -4.197) 4.256 13.896 ( -0.000 1.128 1.209) 1.654 14.065 ( 0.000 -5.109 7.116) 8.760 14.332 ( -0.000 10.589 0.384) 10.596 14.543 ( -0.000 1.654 -6.111) 6.331 14.698 ( -0.000 -0.813 -2.025) 2.182 14.811 ( 0.000 -3.686 -4.130) 5.536 14.889 ( 0.000 -4.767 1.751) 5.078 15.036 ( 0.000 0.329 1.454) 1.491 15.152 ( 0.000 -3.222 0.363) 3.243 15.234 ( -0.000 0.886 0.070) 0.888 15.239 ( -0.000 0.459 -0.095) 0.469 15.278 ( 0.000 -1.141 -0.272) 1.173 15.525 ( 0.000 0.947 1.990) 2.204 15.635 ( -0.000 1.229 0.475) 1.318 15.868 ( -0.000 -0.580 -1.879) 1.966 16.042 ( 0.000 -5.885 9.529) 11.200 16.158 ( 0.000 0.001 1.413) 1.413 16.339 ( -0.000 1.557 -2.130) 2.638 16.515 ( -0.000 0.836 0.583) 1.019 16.712 ( 0.000 -1.094 0.916) 1.426 16.784 ( -0.000 5.954 -3.288) 6.802 16.954 ( -0.000 1.381 -1.335) 1.921 17.013 ( 0.000 -1.343 1.450) 1.976 17.046 ( -0.000 2.488 -2.493) 3.522 17.209 ( 0.000 -2.459 6.290) 6.754 17.300 ( -0.000 -1.122 -4.755) 4.886 17.707 ( -0.000 -0.122 -2.708) 2.711 17.857 ( 0.000 -1.503 8.113) 8.251 18.162 ( 0.000 -2.408 4.069) 4.728 18.468 ( -0.000 13.516 1.814) 13.637 18.903 ( -0.000 11.151 -7.773) 13.593 19.104 ( -0.000 8.603 -17.377) 19.390 19.902 ( 0.000 -2.239 -2.592) 3.425 20.722 ( 0.000 -16.873 11.349) 20.335 ======================= Grid point 31 (30/72) ======================= q-point: (-0.08 0.08 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.506 ( 0.000 -25.961 -0.000) 25.961 0.551 ( 0.000 -26.446 -0.000) 26.446 0.941 ( 0.000 -42.512 -0.000) 42.512 1.767 ( 0.000 -18.855 -0.000) 18.855 1.983 ( 0.000 -1.736 -0.000) 1.736 2.135 ( -0.000 0.521 0.000) 0.521 2.662 ( -0.000 2.722 0.000) 2.722 2.670 ( -0.000 2.577 0.000) 2.577 2.892 ( -0.000 2.205 0.000) 2.205 2.906 ( 0.000 -6.645 -0.000) 6.645 3.033 ( 0.000 -0.086 -0.000) 0.086 3.300 ( -0.000 6.483 0.000) 6.483 3.420 ( -0.000 9.901 0.000) 9.901 3.914 ( -0.000 0.861 0.000) 0.861 4.176 ( 0.000 -11.917 -0.000) 11.917 4.285 ( 0.000 -0.157 -0.000) 0.157 4.410 ( 0.000 -6.378 -0.000) 6.378 5.155 ( -0.000 10.669 0.000) 10.669 5.618 ( 0.000 -10.011 -0.000) 10.011 5.954 ( 0.000 -2.167 -0.000) 2.167 6.004 ( -0.000 21.915 0.000) 21.915 6.452 ( -0.000 4.821 0.000) 4.821 6.569 ( 0.000 -7.218 -0.000) 7.218 6.657 ( 0.000 -6.243 -0.000) 6.243 6.840 ( 0.000 -5.846 -0.000) 5.846 6.947 ( 0.000 -5.830 -0.000) 5.830 7.055 ( -0.000 0.882 0.000) 0.882 7.135 ( -0.000 0.935 0.000) 0.935 7.236 ( -0.000 2.946 0.000) 2.946 7.360 ( 0.000 -0.002 -0.000) 0.002 7.446 ( -0.000 14.535 0.000) 14.535 7.523 ( 0.000 -1.119 -0.000) 1.119 7.535 ( -0.000 12.313 0.000) 12.313 7.873 ( -0.000 4.077 0.000) 4.077 8.246 ( -0.000 1.278 0.000) 1.278 8.283 ( 0.000 -7.999 -0.000) 7.999 8.421 ( -0.000 7.983 0.000) 7.983 8.505 ( 0.000 -2.730 -0.000) 2.730 8.654 ( -0.000 1.003 0.000) 1.003 8.893 ( -0.000 2.968 0.000) 2.968 9.143 ( 0.000 -7.670 -0.000) 7.670 9.247 ( -0.000 4.385 0.000) 4.385 9.488 ( 0.000 -2.386 -0.000) 2.386 9.489 ( -0.000 6.006 0.000) 6.006 9.823 ( 0.000 -3.286 -0.000) 3.286 9.911 ( 0.000 -9.153 -0.000) 9.153 10.231 ( -0.000 7.136 0.000) 7.136 10.469 ( 0.000 -17.053 -0.000) 17.053 10.543 ( -0.000 3.255 0.000) 3.255 11.087 ( 0.000 -2.573 -0.000) 2.573 11.317 ( -0.000 1.325 0.000) 1.325 11.536 ( 0.000 -0.898 -0.000) 0.898 11.546 ( -0.000 2.007 0.000) 2.007 11.826 ( 0.000 -5.056 -0.000) 5.056 12.042 ( 0.000 -0.362 -0.000) 0.362 12.083 ( 0.000 -2.505 -0.000) 2.505 12.432 ( 0.000 -2.139 -0.000) 2.139 12.493 ( -0.000 8.858 0.000) 8.858 12.801 ( -0.000 0.555 0.000) 0.555 12.967 ( 0.000 -0.926 -0.000) 0.926 13.095 ( -0.000 1.221 0.000) 1.221 13.153 ( 0.000 -0.070 -0.000) 0.070 13.287 ( 0.000 -3.740 -0.000) 3.740 13.582 ( -0.000 8.656 0.000) 8.656 13.721 ( -0.000 5.067 0.000) 5.067 13.820 ( 0.000 -1.313 -0.000) 1.313 14.043 ( 0.000 -8.230 -0.000) 8.230 14.119 ( 0.000 -6.037 -0.000) 6.037 14.810 ( -0.000 1.202 0.000) 1.202 14.895 ( -0.000 5.893 0.000) 5.893 14.956 ( -0.000 5.762 0.000) 5.762 14.958 ( 0.000 -0.858 -0.000) 0.858 15.057 ( -0.000 5.313 0.000) 5.313 15.117 ( 0.000 -0.276 -0.000) 0.276 15.240 ( -0.000 0.040 0.000) 0.040 15.289 ( 0.000 -6.146 -0.000) 6.146 15.308 ( -0.000 1.043 0.000) 1.043 15.387 ( 0.000 -2.661 -0.000) 2.661 15.598 ( 0.000 -1.360 -0.000) 1.360 15.634 ( -0.000 0.480 0.000) 0.480 15.943 ( -0.000 0.988 0.000) 0.988 16.104 ( 0.000 -0.595 -0.000) 0.595 16.337 ( 0.000 -5.190 -0.000) 5.190 16.479 ( 0.000 -0.796 -0.000) 0.796 16.753 ( -0.000 4.325 0.000) 4.325 16.790 ( 0.000 -0.808 -0.000) 0.808 16.887 ( 0.000 -5.015 -0.000) 5.015 16.972 ( 0.000 -4.991 -0.000) 4.991 17.023 ( 0.000 -5.432 -0.000) 5.432 17.056 ( -0.000 2.988 0.000) 2.988 17.551 ( -0.000 2.517 0.000) 2.517 17.561 ( -0.000 5.363 0.000) 5.363 17.711 ( 0.000 -4.215 -0.000) 4.215 18.016 ( 0.000 -1.033 -0.000) 1.033 18.320 ( 0.000 -2.836 -0.000) 2.836 18.946 ( 0.000 -1.267 -0.000) 1.267 19.945 ( -0.000 10.935 0.000) 10.935 20.267 ( 0.000 -6.564 -0.000) 6.564 20.418 ( -0.000 9.085 0.000) 9.085 ======================= Grid point 32 (31/72) ======================= q-point: ( 0.59 -0.34 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -3.800 3.650 5.247) 7.436 1.933 ( -1.504 3.094 6.998) 7.798 2.175 ( -1.118 -1.378 1.713) 2.466 2.251 ( -4.894 -1.773 -1.698) 5.475 2.292 ( -4.532 0.321 -6.137) 7.636 2.470 ( 4.459 1.000 -0.439) 4.591 2.582 ( 0.361 -0.720 -4.627) 4.697 2.642 ( 0.659 -0.980 -3.145) 3.360 2.800 ( -7.945 1.752 3.484) 8.851 3.025 ( -1.287 -0.893 0.059) 1.568 3.281 ( -4.967 -4.075 1.503) 6.598 3.282 ( 1.269 -0.655 2.632) 2.994 3.452 ( 10.122 3.787 -1.579) 10.922 3.666 ( -6.718 2.589 1.324) 7.320 3.993 ( 3.171 -1.341 -2.949) 4.533 4.644 ( 1.802 1.050 1.155) 2.384 4.684 ( 2.742 2.103 3.320) 4.792 5.109 ( -2.227 -1.186 7.447) 7.863 5.284 ( -2.552 0.555 1.736) 3.136 5.780 ( 6.124 -0.569 -1.864) 6.426 5.994 ( -3.716 -3.477 0.821) 5.155 6.227 ( -1.310 -1.697 -9.137) 9.385 6.385 ( 4.811 1.335 -9.241) 10.504 6.501 ( -3.379 -0.322 -5.696) 6.630 6.555 ( 4.162 5.101 5.227) 8.406 6.834 ( -0.619 -7.293 -1.442) 7.460 6.913 ( 1.620 2.204 4.661) 5.405 7.045 ( -1.675 -3.431 8.407) 9.234 7.173 ( 1.538 2.572 3.991) 4.991 7.329 ( 1.347 3.021 -3.617) 4.901 7.561 ( -2.088 0.809 -3.061) 3.793 7.747 ( -15.344 -0.270 7.020) 16.876 7.884 ( 0.765 1.463 -5.745) 5.978 8.003 ( 1.672 0.179 1.437) 2.211 8.096 ( 2.737 3.962 1.846) 5.157 8.208 ( 6.427 -4.419 -1.578) 7.958 8.431 ( -1.694 -0.443 1.107) 2.072 8.583 ( -4.152 1.022 -2.268) 4.840 8.743 ( 7.584 -2.432 0.371) 7.973 8.999 ( -11.131 -1.931 7.750) 13.700 9.298 ( 4.121 0.181 -6.681) 7.852 9.386 ( -11.076 2.614 -2.908) 11.746 9.536 ( -2.652 2.518 0.658) 3.716 9.675 ( 9.109 1.588 1.589) 9.382 9.754 ( 0.946 -3.276 -1.978) 3.941 10.086 ( -5.291 2.814 1.455) 6.167 10.258 ( 9.722 -1.136 -0.011) 9.788 10.350 ( 4.891 -0.728 -6.165) 7.903 10.671 ( -10.400 6.017 4.052) 12.680 10.828 ( -2.458 -6.273 -3.612) 7.644 10.984 ( -1.754 -6.556 3.413) 7.596 11.194 ( 9.639 6.120 -3.029) 11.813 11.359 ( 18.718 -0.398 0.541) 18.730 11.441 ( 1.674 0.031 2.676) 3.157 11.996 ( 2.768 3.481 1.870) 4.825 12.054 ( -0.226 -3.797 -0.416) 3.827 12.182 ( -3.045 1.572 -0.808) 3.521 12.429 ( -1.143 -2.915 1.201) 3.354 12.450 ( 1.481 1.236 0.783) 2.082 12.879 ( 1.850 -0.931 -1.530) 2.575 13.090 ( -3.150 1.054 -2.870) 4.390 13.357 ( -0.359 0.920 -1.038) 1.432 13.509 ( -2.060 0.104 5.180) 5.575 13.665 ( -6.178 1.185 2.095) 6.630 13.822 ( -0.105 -0.288 -1.862) 1.887 14.038 ( 7.041 -2.518 7.013) 10.252 14.083 ( -0.693 -3.822 -1.262) 4.085 14.213 ( 3.354 4.208 -7.839) 9.508 14.370 ( 4.601 -0.531 -4.974) 6.796 14.416 ( 0.893 0.609 0.044) 1.082 14.482 ( -0.033 -0.102 -1.349) 1.354 14.710 ( -3.280 -0.687 1.417) 3.638 14.861 ( 2.665 0.130 5.122) 5.775 15.100 ( 1.451 2.074 -1.425) 2.905 15.127 ( 0.859 -1.882 -0.159) 2.074 15.222 ( 1.948 0.212 1.959) 2.771 15.339 ( -0.533 -2.359 -1.012) 2.621 15.368 ( 3.076 3.470 0.761) 4.699 15.483 ( 6.119 1.866 4.493) 7.817 15.759 ( -4.593 -0.138 -0.992) 4.700 15.924 ( -0.442 -0.338 -0.655) 0.859 16.095 ( -3.127 0.155 3.169) 4.454 16.204 ( 2.330 0.059 -5.931) 6.373 16.511 ( 0.551 0.141 -0.473) 0.739 16.665 ( -2.808 -1.250 -0.886) 3.199 16.742 ( 1.216 -0.707 1.411) 1.993 16.800 ( 4.278 0.523 -0.681) 4.364 17.166 ( -0.783 -1.225 -3.705) 3.980 17.228 ( -1.876 2.351 -3.979) 4.988 17.387 ( -2.466 -1.288 2.673) 3.858 17.451 ( -2.719 0.603 0.672) 2.864 17.544 ( 2.920 -0.421 6.106) 6.782 18.508 ( -4.347 -0.249 -3.232) 5.422 18.823 ( -5.963 5.897 3.602) 9.127 19.126 ( -5.392 1.914 2.174) 6.121 19.195 ( -7.834 -2.147 2.850) 8.608 19.424 ( -4.568 -10.573 -3.681) 12.091 19.491 ( 9.067 -4.887 1.818) 10.459 20.057 ( 8.574 8.713 -4.928) 13.181 ======================= Grid point 33 (32/72) ======================= q-point: ( 0.09 -0.34 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -14.025 -0.000 -4.968) 14.879 1.738 ( -17.544 -0.000 -7.694) 19.157 2.002 ( -9.171 -0.000 -2.067) 9.400 2.254 ( -0.382 -0.000 1.611) 1.655 2.280 ( -2.650 -0.000 0.050) 2.650 2.457 ( 1.787 -0.000 3.948) 4.334 2.565 ( 4.524 -0.000 2.573) 5.205 2.732 ( 4.536 0.000 -1.005) 4.646 2.738 ( -12.475 -0.000 0.912) 12.508 2.822 ( -9.626 -0.000 -0.613) 9.646 3.212 ( -0.530 0.000 -8.199) 8.216 3.305 ( 3.876 0.000 -0.873) 3.973 3.481 ( 4.074 0.000 -3.013) 5.067 3.725 ( -1.459 -0.000 3.502) 3.793 4.158 ( 5.327 0.000 -3.436) 6.339 4.303 ( -0.801 -0.000 0.253) 0.840 4.334 ( -5.545 -0.000 7.113) 9.019 5.108 ( 5.917 0.000 -16.975) 17.977 5.581 ( -0.953 0.000 -4.314) 4.418 5.864 ( -3.276 -0.000 18.374) 18.664 5.872 ( 6.456 0.000 -3.339) 7.268 6.051 ( 6.846 -0.000 4.524) 8.206 6.311 ( -1.162 0.000 -1.712) 2.069 6.434 ( 6.058 0.000 -0.964) 6.134 6.605 ( -1.714 -0.000 8.207) 8.384 6.857 ( 8.135 0.000 -1.062) 8.204 6.890 ( -3.548 -0.000 3.784) 5.187 7.202 ( 0.621 0.000 -12.729) 12.745 7.426 ( -8.360 -0.000 -2.695) 8.784 7.524 ( -1.826 -0.000 1.160) 2.163 7.678 ( -9.719 0.000 -5.351) 11.095 7.692 ( -6.892 0.000 -3.847) 7.893 7.746 ( 2.453 0.000 -3.009) 3.882 7.964 ( 0.879 0.000 0.054) 0.880 8.396 ( 3.712 -0.000 6.187) 7.215 8.517 ( 8.899 0.000 1.377) 9.005 8.541 ( -3.855 -0.000 9.474) 10.228 8.806 ( 8.426 0.000 -3.048) 8.960 8.960 ( -8.820 -0.000 3.641) 9.542 9.015 ( -14.544 -0.000 -1.096) 14.585 9.306 ( -9.794 -0.000 -1.202) 9.867 9.309 ( -10.428 -0.000 -0.804) 10.459 9.421 ( 1.065 0.000 -7.253) 7.331 9.662 ( -0.613 -0.000 2.382) 2.460 9.701 ( 15.991 0.000 -1.606) 16.072 9.772 ( 1.247 0.000 -2.805) 3.070 9.980 ( 2.767 -0.000 3.338) 4.336 10.216 ( -18.447 -0.000 -1.828) 18.538 10.234 ( 7.842 0.000 -0.580) 7.863 10.762 ( -1.798 -0.000 9.059) 9.236 10.881 ( 25.428 0.000 1.746) 25.488 11.179 ( -3.125 -0.000 0.338) 3.143 11.391 ( 14.974 0.000 -2.371) 15.161 11.553 ( 4.728 0.000 -2.855) 5.524 11.587 ( -1.664 0.000 -2.042) 2.634 12.186 ( -3.340 -0.000 0.864) 3.450 12.315 ( 0.835 0.000 0.174) 0.853 12.435 ( 0.562 -0.000 2.042) 2.118 12.732 ( -2.361 -0.000 3.695) 4.385 12.820 ( 2.650 0.000 0.638) 2.726 12.944 ( -1.283 0.000 -4.775) 4.945 13.463 ( -7.512 0.000 -4.805) 8.917 13.623 ( -3.520 -0.000 -1.124) 3.695 13.739 ( -0.037 -0.000 3.710) 3.711 13.792 ( 1.540 0.000 -3.307) 3.648 14.028 ( 3.575 0.000 -2.797) 4.539 14.092 ( 3.346 -0.000 5.208) 6.191 14.231 ( -6.164 -0.000 5.285) 8.120 14.363 ( 2.972 -0.000 3.419) 4.530 14.372 ( -7.453 -0.000 -0.312) 7.459 14.523 ( 7.971 0.000 -5.210) 9.522 14.709 ( 1.642 -0.000 3.625) 3.979 14.874 ( 9.404 0.000 0.819) 9.440 14.976 ( 2.793 0.000 -4.435) 5.241 15.031 ( -0.596 0.000 -3.191) 3.246 15.185 ( 1.085 0.000 -0.977) 1.460 15.284 ( -2.917 -0.000 1.887) 3.474 15.567 ( -0.563 0.000 -2.962) 3.015 15.644 ( -0.743 0.000 -1.600) 1.764 15.798 ( 0.520 -0.000 0.305) 0.603 15.893 ( 1.311 -0.000 2.278) 2.628 16.079 ( 0.558 -0.000 0.651) 0.858 16.397 ( 2.954 0.000 -0.346) 2.975 16.614 ( -4.107 0.000 -3.544) 5.425 16.644 ( 2.292 0.000 -2.883) 3.683 16.719 ( 2.384 0.000 0.462) 2.428 16.899 ( -3.600 -0.000 2.436) 4.347 17.060 ( 6.869 -0.000 7.463) 10.142 17.098 ( -2.653 -0.000 -0.842) 2.783 17.283 ( -2.410 -0.000 4.379) 4.998 17.369 ( -1.462 -0.000 1.108) 1.835 17.652 ( -3.229 0.000 -4.208) 5.304 17.850 ( -2.504 -0.000 -0.550) 2.564 18.100 ( 2.331 0.000 -7.902) 8.239 18.466 ( -4.002 -0.000 10.797) 11.515 19.358 ( -4.691 0.000 -5.911) 7.546 19.826 ( 5.536 0.000 -2.563) 6.101 20.089 ( 3.827 -0.000 8.339) 9.175 20.838 ( -3.092 -0.000 -1.396) 3.392 ======================= Grid point 34 (33/72) ======================= q-point: (-0.24 0.24 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 11.257 -21.116 0.000) 23.929 1.246 ( 12.996 -20.916 0.000) 24.625 1.786 ( 11.511 -8.742 0.000) 14.454 2.063 ( 3.752 -11.226 0.000) 11.837 2.134 ( 1.956 1.528 -0.000) 2.482 2.309 ( 15.568 -10.825 0.000) 18.962 2.595 ( -0.976 1.953 -0.000) 2.183 2.611 ( -2.169 -2.838 0.000) 3.572 2.833 ( -0.215 -0.715 0.000) 0.747 2.956 ( -3.054 5.206 -0.000) 6.036 3.048 ( 0.607 -3.113 0.000) 3.172 3.172 ( 3.955 5.315 -0.000) 6.625 3.281 ( 0.677 3.572 -0.000) 3.635 3.840 ( -5.855 0.461 0.000) 5.873 4.278 ( -2.964 0.226 0.000) 2.973 4.498 ( -0.292 -17.610 0.000) 17.613 4.548 ( -0.295 -7.786 0.000) 7.791 4.996 ( -1.079 2.079 -0.000) 2.342 5.466 ( -1.590 22.012 -0.000) 22.069 5.831 ( 0.435 -9.146 0.000) 9.156 5.981 ( 0.920 1.932 -0.000) 2.140 6.309 ( 0.041 5.410 -0.000) 5.410 6.725 ( -6.121 0.516 0.000) 6.142 6.827 ( -6.466 -11.232 0.000) 12.960 6.830 ( -7.515 11.323 -0.000) 13.590 6.864 ( 1.239 5.932 -0.000) 6.060 6.936 ( -6.679 -5.764 0.000) 8.822 7.100 ( 3.830 0.848 -0.000) 3.923 7.130 ( 1.087 10.002 -0.000) 10.061 7.175 ( -1.441 -7.154 0.000) 7.298 7.343 ( -3.787 2.009 -0.000) 4.286 7.415 ( 4.955 0.958 -0.000) 5.047 7.759 ( 11.744 11.212 -0.000) 16.237 7.826 ( 20.164 3.376 -0.000) 20.444 8.146 ( -2.779 1.332 0.000) 3.081 8.203 ( -6.322 2.180 0.000) 6.687 8.494 ( 5.094 2.511 -0.000) 5.680 8.590 ( 1.565 -4.160 0.000) 4.444 8.614 ( -4.209 -5.533 0.000) 6.951 9.026 ( -9.564 4.553 0.000) 10.592 9.038 ( 11.593 -3.481 -0.000) 12.105 9.311 ( -1.961 4.056 -0.000) 4.505 9.461 ( 8.340 -13.643 0.000) 15.991 9.634 ( 9.313 5.079 -0.000) 10.608 9.859 ( -3.394 -6.632 0.000) 7.450 9.920 ( -12.051 7.683 -0.000) 14.292 10.185 ( 1.679 -8.970 0.000) 9.126 10.497 ( 1.135 3.055 -0.000) 3.259 10.815 ( -2.836 -16.485 0.000) 16.727 10.854 ( -15.101 -2.587 0.000) 15.321 11.236 ( -4.139 3.746 -0.000) 5.583 11.558 ( -1.229 -1.206 0.000) 1.722 11.611 ( -5.880 -3.073 0.000) 6.635 11.817 ( 5.659 2.208 -0.000) 6.075 12.032 ( -9.447 -2.912 0.000) 9.885 12.186 ( -10.915 6.550 -0.000) 12.730 12.247 ( 6.737 0.709 -0.000) 6.774 12.488 ( 0.864 -2.707 0.000) 2.842 12.643 ( -6.954 6.314 -0.000) 9.393 12.882 ( -9.107 -2.798 0.000) 9.527 13.012 ( 0.997 0.642 -0.000) 1.186 13.238 ( 1.923 -3.608 0.000) 4.088 13.419 ( 3.905 9.071 -0.000) 9.876 13.454 ( 4.572 -2.029 -0.000) 5.002 13.693 ( 4.937 2.079 -0.000) 5.357 13.913 ( 5.823 -1.224 -0.000) 5.950 14.234 ( 1.654 -7.315 0.000) 7.500 14.294 ( 2.137 -6.856 0.000) 7.181 14.603 ( -12.216 6.042 -0.000) 13.629 14.709 ( -7.312 5.052 -0.000) 8.887 14.768 ( -4.674 7.543 -0.000) 8.874 14.871 ( -6.650 -1.245 0.000) 6.766 14.956 ( -3.261 -0.513 0.000) 3.301 15.100 ( -1.172 -0.443 0.000) 1.253 15.201 ( -2.343 -0.993 0.000) 2.545 15.288 ( -0.419 1.081 -0.000) 1.159 15.322 ( 1.138 1.769 -0.000) 2.103 15.514 ( -5.797 -9.518 0.000) 11.145 15.562 ( 1.182 1.193 -0.000) 1.679 15.788 ( 7.895 -1.714 -0.000) 8.079 15.888 ( -18.003 -4.153 0.000) 18.476 15.923 ( 0.847 1.664 -0.000) 1.867 16.408 ( -1.228 0.486 0.000) 1.321 16.501 ( -0.035 -1.344 0.000) 1.344 16.631 ( -1.418 1.346 -0.000) 1.955 16.921 ( 5.211 -4.181 0.000) 6.681 16.957 ( -5.058 -0.380 0.000) 5.072 16.982 ( -3.733 -1.862 0.000) 4.172 17.066 ( 7.192 1.893 -0.000) 7.437 17.120 ( 3.188 -5.900 0.000) 6.707 17.390 ( -0.589 3.498 -0.000) 3.547 17.722 ( 1.823 5.726 -0.000) 6.009 17.947 ( 12.339 -6.681 0.000) 14.031 18.188 ( 15.097 -1.526 -0.000) 15.174 18.508 ( 10.447 -6.188 0.000) 12.142 19.034 ( 3.362 -2.443 0.000) 4.157 19.674 ( 4.156 19.627 -0.000) 20.062 20.102 ( -5.078 15.648 -0.000) 16.452 20.341 ( -9.652 -9.798 0.000) 13.753 ======================= Grid point 35 (34/72) ======================= q-point: ( 0.26 0.24 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 10.388 3.516 23.453) 25.891 1.393 ( 10.088 8.790 20.250) 24.271 1.864 ( 2.096 7.304 4.836) 9.007 1.990 ( 12.711 -0.589 -2.975) 13.067 2.193 ( 4.614 7.210 19.216) 21.036 2.333 ( 1.796 -2.475 -1.598) 3.450 2.488 ( 3.392 6.296 1.537) 7.314 2.566 ( 3.882 2.883 3.873) 6.195 2.631 ( -1.569 2.133 -5.708) 6.293 3.018 ( -4.775 -3.697 -0.294) 6.046 3.164 ( 4.936 -2.321 -3.127) 6.288 3.405 ( -1.164 -6.581 -2.465) 7.123 3.537 ( -0.094 -1.193 12.340) 12.397 3.687 ( -4.764 -2.355 -8.178) 9.753 4.118 ( 1.280 10.996 -4.429) 11.923 4.309 ( -0.794 -0.846 -0.109) 1.165 4.483 ( -2.037 6.734 5.156) 8.722 5.390 ( 0.462 2.029 -6.269) 6.606 5.639 ( -3.938 -6.797 -8.179) 11.340 5.875 ( -4.359 6.613 2.712) 8.371 6.090 ( -2.702 -13.041 2.779) 13.605 6.315 ( -3.949 -5.188 -1.181) 6.625 6.329 ( -9.068 0.627 -6.852) 11.383 6.580 ( -0.328 3.079 -3.072) 4.362 6.632 ( -9.318 0.409 -1.493) 9.446 6.702 ( 2.313 4.413 -3.706) 6.210 6.921 ( 0.274 -5.992 -4.276) 7.367 7.225 ( 6.156 -3.814 -0.831) 7.289 7.264 ( 11.779 3.651 1.173) 12.388 7.333 ( 2.467 -2.500 0.334) 3.528 7.411 ( 2.306 0.277 2.306) 3.273 7.622 ( -2.160 4.784 1.934) 5.594 7.796 ( 11.020 -2.311 -1.202) 11.324 7.944 ( -2.740 -8.208 6.360) 10.739 8.196 ( 9.234 -6.498 4.648) 12.211 8.261 ( -6.133 -2.157 -1.248) 6.620 8.371 ( 1.422 0.794 -0.406) 1.678 8.573 ( 10.022 -3.732 0.822) 10.726 8.792 ( 9.227 -3.645 1.281) 10.003 8.961 ( -10.788 -6.358 -2.870) 12.847 9.275 ( 4.325 1.015 3.920) 5.924 9.293 ( 1.533 0.146 1.972) 2.502 9.602 ( -2.071 5.287 2.634) 6.260 9.760 ( -5.221 -2.949 -1.918) 6.295 9.886 ( -8.235 -4.386 3.377) 9.923 9.988 ( -9.451 9.651 3.346) 13.916 10.090 ( 1.832 -4.621 2.904) 5.757 10.488 ( 1.612 6.986 -1.872) 7.410 10.606 ( -17.307 6.205 2.218) 18.519 10.922 ( -11.550 3.147 7.724) 14.247 11.222 ( -8.488 5.225 -6.211) 11.744 11.343 ( -2.798 -0.550 -1.133) 3.068 11.582 ( 2.281 -0.344 2.119) 3.132 11.636 ( 8.593 1.991 -5.422) 10.353 12.034 ( 4.370 -0.956 -1.706) 4.787 12.268 ( -2.554 -0.887 0.808) 2.821 12.319 ( -10.666 -2.804 0.521) 11.041 12.379 ( -0.146 2.838 2.736) 3.944 12.665 ( -16.510 1.066 -7.322) 18.092 12.885 ( -1.371 1.408 -3.005) 3.591 12.984 ( 7.088 -2.723 3.422) 8.329 13.276 ( 8.373 -2.836 -0.212) 8.843 13.396 ( 5.841 0.818 1.170) 6.013 13.736 ( -0.893 -2.843 1.159) 3.197 13.836 ( -0.401 0.676 -0.929) 1.217 13.879 ( 0.886 1.661 0.694) 2.006 14.087 ( 0.758 6.545 -2.295) 6.977 14.277 ( -1.839 -2.760 4.941) 5.950 14.434 ( -9.861 1.232 -4.864) 11.064 14.654 ( -5.006 -3.836 -2.389) 6.744 14.789 ( -10.251 -3.950 0.701) 11.008 14.934 ( -2.701 -4.059 -1.659) 5.150 15.035 ( -0.660 0.865 1.888) 2.179 15.118 ( -5.191 -0.936 -0.537) 5.302 15.185 ( -0.284 3.196 0.564) 3.257 15.232 ( -4.617 2.663 1.176) 5.458 15.320 ( 3.047 -2.928 -0.590) 4.266 15.537 ( -2.116 -6.466 4.645) 8.238 15.716 ( 4.730 1.204 -0.721) 4.934 15.875 ( -2.003 -0.842 -2.294) 3.160 15.933 ( -13.037 -0.968 3.996) 13.670 16.132 ( -5.759 -0.617 9.702) 11.299 16.415 ( 5.478 -6.885 -0.557) 8.816 16.494 ( 1.209 -0.546 1.539) 2.032 16.643 ( -1.904 -2.779 -2.752) 4.350 16.775 ( 0.252 3.503 -2.270) 4.181 16.850 ( -1.312 1.954 -0.599) 2.428 17.024 ( 1.423 2.522 2.142) 3.602 17.041 ( 2.187 1.493 1.079) 2.859 17.194 ( -6.448 -1.720 -6.420) 9.260 17.324 ( 4.992 -0.923 6.544) 8.282 17.763 ( 0.193 -1.139 -0.129) 1.162 17.912 ( 3.499 21.788 -4.720) 22.566 18.204 ( 6.032 5.294 0.960) 8.083 18.271 ( 3.141 8.274 2.920) 9.319 18.785 ( 30.505 4.793 -16.630) 35.072 19.144 ( 11.802 -1.174 -5.930) 13.260 19.992 ( -3.107 -6.589 0.047) 7.285 20.994 ( -6.155 -13.511 9.405) 17.575 ======================= Grid point 37 (35/72) ======================= q-point: ( 0.43 -0.18 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -17.224 6.881 4.020) 18.978 1.628 ( -13.955 12.387 8.832) 20.645 2.053 ( -4.793 3.429 -0.960) 5.971 2.163 ( -5.306 5.254 2.248) 7.798 2.201 ( -4.799 -1.598 1.280) 5.218 2.511 ( -8.942 1.325 -3.118) 9.562 2.557 ( 6.478 1.055 -2.689) 7.093 2.606 ( -3.020 1.657 1.178) 3.640 2.848 ( 4.944 -6.290 -1.917) 8.227 2.900 ( -5.908 7.901 -0.757) 9.895 3.264 ( -4.243 -1.939 3.238) 5.679 3.273 ( -8.310 6.288 10.852) 15.046 3.314 ( -1.572 -3.796 0.019) 4.109 3.637 ( 10.404 -0.080 -3.798) 11.076 4.159 ( 5.361 -3.379 -2.553) 6.832 4.505 ( -1.909 11.271 0.203) 11.433 4.584 ( 1.032 10.401 3.375) 10.984 5.111 ( -0.552 -3.279 10.387) 10.907 5.435 ( 4.302 -14.895 1.721) 15.600 5.845 ( 3.608 5.092 1.267) 6.368 5.988 ( -4.022 -0.083 -3.693) 5.461 6.247 ( -0.106 -3.648 -6.599) 7.541 6.476 ( 10.888 7.328 -9.401) 16.144 6.496 ( 6.869 1.632 -1.990) 7.335 6.665 ( 2.749 -11.824 -2.645) 12.424 6.825 ( 2.531 9.645 -1.382) 10.067 6.992 ( -3.878 -1.635 -1.342) 4.417 7.154 ( 3.631 -1.407 1.241) 4.087 7.191 ( -3.396 -5.539 2.927) 7.126 7.287 ( 2.752 -4.184 6.961) 8.575 7.441 ( -11.895 -0.133 9.156) 15.012 7.492 ( -6.431 -1.976 -2.169) 7.069 7.971 ( 2.636 -3.662 -3.018) 5.429 8.003 ( -7.987 -2.684 0.607) 8.448 8.110 ( 2.553 -1.007 -1.210) 3.000 8.173 ( -8.586 -1.720 -1.960) 8.974 8.519 ( -2.911 -4.718 -3.421) 6.515 8.599 ( -0.237 -0.799 1.132) 1.406 8.739 ( -7.658 -1.405 -1.342) 7.901 8.896 ( 1.842 1.774 8.426) 8.805 9.171 ( 0.409 4.029 -3.172) 5.144 9.389 ( -6.455 -1.439 6.383) 9.191 9.538 ( 14.556 -1.649 -6.049) 15.849 9.705 ( -3.351 5.397 2.715) 6.908 9.749 ( -8.387 -2.964 -2.155) 9.153 9.946 ( 0.821 1.366 5.758) 5.974 10.167 ( -3.537 9.483 -0.419) 10.130 10.490 ( 8.994 5.761 1.721) 10.819 10.588 ( 12.823 0.808 0.092) 12.849 10.797 ( -3.711 8.313 -4.245) 10.044 11.114 ( 7.423 -4.832 -1.293) 8.951 11.334 ( 8.921 3.292 -3.002) 9.972 11.503 ( 5.717 -0.372 0.588) 5.759 11.817 ( 20.874 -0.375 2.255) 20.999 11.894 ( 2.128 6.114 0.610) 6.502 12.054 ( -5.942 -2.381 1.146) 6.504 12.228 ( 4.723 -4.256 -0.830) 6.412 12.437 ( 0.863 1.304 -0.949) 1.830 12.595 ( 3.718 -5.784 -0.253) 6.881 12.894 ( -7.715 3.761 0.725) 8.614 12.961 ( 3.308 -0.642 -2.016) 3.927 13.316 ( -3.041 0.669 2.325) 3.886 13.508 ( -1.670 -3.753 1.993) 4.566 13.533 ( -4.685 -1.915 1.786) 5.367 13.810 ( -1.881 -0.461 1.133) 2.244 14.021 ( -6.714 0.875 -3.447) 7.598 14.236 ( -0.012 4.025 -0.671) 4.081 14.326 ( -0.221 4.000 2.134) 4.539 14.352 ( 11.886 -4.308 0.744) 12.664 14.528 ( 11.523 3.110 -8.401) 14.595 14.553 ( 3.370 -3.331 -5.061) 6.933 14.737 ( 3.181 -5.112 3.042) 6.746 14.940 ( 4.489 -0.197 5.367) 6.999 15.068 ( 1.364 1.716 -0.134) 2.196 15.182 ( 1.198 0.013 0.253) 1.224 15.214 ( 3.440 3.355 -1.225) 4.959 15.324 ( 3.199 3.638 -1.301) 5.016 15.445 ( -0.564 -2.833 3.170) 4.289 15.602 ( 6.198 -0.590 3.560) 7.172 15.726 ( 3.198 -0.896 4.504) 5.596 15.922 ( -4.426 0.417 -1.060) 4.570 15.936 ( -2.257 0.831 0.065) 2.406 16.351 ( 0.996 -5.874 -2.011) 6.288 16.505 ( -0.192 0.646 0.253) 0.720 16.640 ( -1.919 -0.573 -1.324) 2.401 16.859 ( 2.630 -1.340 -0.127) 2.955 16.883 ( 6.876 -0.417 1.107) 6.977 17.023 ( -2.598 7.564 -3.369) 8.679 17.147 ( -7.359 -1.471 -1.311) 7.618 17.317 ( -4.762 3.320 -0.516) 5.828 17.327 ( -3.506 0.273 0.309) 3.530 17.674 ( 6.677 -1.320 3.505) 7.656 18.217 ( -11.467 8.617 0.784) 14.365 18.463 ( -6.410 7.848 4.533) 11.101 18.726 ( -11.452 12.227 -3.525) 17.119 19.153 ( -7.515 -2.241 1.787) 8.043 19.680 ( -5.644 -16.588 -10.428) 20.390 19.788 ( 8.699 0.769 -7.335) 11.404 20.298 ( 7.430 -15.115 8.422) 18.831 ======================= Grid point 38 (36/72) ======================= q-point: ( 0.11 0.39 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 9.087 -0.000 16.857) 19.151 1.571 ( 19.101 -0.000 16.836) 25.462 1.914 ( 8.586 -0.000 7.222) 11.219 2.192 ( 2.191 -0.000 2.169) 3.083 2.282 ( -1.742 -0.000 -0.312) 1.770 2.326 ( 12.529 0.000 -4.327) 13.255 2.492 ( 3.937 0.000 -2.498) 4.663 2.546 ( -1.953 0.000 -3.658) 4.146 2.751 ( 11.290 -0.000 14.076) 18.045 2.904 ( -8.513 -0.000 1.905) 8.724 3.281 ( 2.676 0.000 -1.534) 3.084 3.453 ( -1.901 -0.000 3.259) 3.773 3.517 ( -3.547 0.000 -2.634) 4.418 3.665 ( -1.315 0.000 -1.781) 2.214 4.072 ( 5.669 0.000 -7.417) 9.335 4.300 ( -0.845 -0.000 0.089) 0.850 4.341 ( -3.683 -0.000 6.131) 7.152 5.386 ( 2.208 0.000 -15.176) 15.336 5.631 ( -6.422 -0.000 12.778) 14.301 5.689 ( -4.142 -0.000 -1.782) 4.509 6.028 ( -6.432 0.000 -5.370) 8.379 6.145 ( -12.612 -0.000 -3.674) 13.136 6.304 ( -1.695 0.000 -2.101) 2.699 6.523 ( -0.807 -0.000 5.104) 5.168 6.532 ( -3.773 -0.000 -1.537) 4.074 6.682 ( 2.198 0.000 -5.757) 6.162 7.150 ( -9.229 -0.000 3.852) 10.000 7.190 ( 7.591 0.000 -6.018) 9.687 7.365 ( 6.808 -0.000 7.892) 10.422 7.421 ( 5.065 0.000 -1.597) 5.311 7.539 ( 6.852 0.000 -3.796) 7.833 7.672 ( 9.691 -0.000 8.358) 12.797 7.958 ( -3.466 -0.000 6.201) 7.104 8.063 ( 11.323 0.000 -7.584) 13.628 8.079 ( -5.237 -0.000 2.238) 5.696 8.399 ( 2.099 0.000 1.005) 2.327 8.629 ( 5.634 0.000 0.900) 5.706 8.752 ( 0.655 0.000 -3.358) 3.421 8.914 ( -1.880 0.000 -3.987) 4.408 8.994 ( -2.165 -0.000 6.693) 7.035 9.153 ( 11.625 0.000 3.508) 12.142 9.319 ( -10.401 -0.000 10.526) 14.798 9.516 ( 15.609 0.000 4.152) 16.151 9.695 ( -11.459 -0.000 4.310) 12.243 9.771 ( -0.758 0.000 -3.411) 3.495 9.889 ( 3.409 0.000 -4.050) 5.294 10.070 ( -14.832 -0.000 4.713) 15.563 10.163 ( -5.846 -0.000 -0.174) 5.848 10.420 ( 1.472 0.000 -9.543) 9.656 10.579 ( -18.165 -0.000 4.882) 18.809 11.108 ( 2.273 0.000 -0.863) 2.431 11.210 ( -12.805 -0.000 -2.985) 13.148 11.590 ( -9.060 0.000 -5.597) 10.649 11.660 ( 0.343 -0.000 6.015) 6.025 11.956 ( -14.806 -0.000 4.580) 15.498 12.128 ( -1.171 -0.000 -0.205) 1.189 12.317 ( -4.648 0.000 -2.653) 5.352 12.410 ( -2.359 0.000 -2.679) 3.569 12.467 ( 12.769 0.000 -3.274) 13.182 12.829 ( -1.669 0.000 -2.902) 3.347 13.088 ( -1.817 -0.000 5.004) 5.323 13.448 ( 7.062 -0.000 6.956) 9.913 13.554 ( 7.811 0.000 -0.376) 7.820 13.723 ( -3.202 -0.000 -1.082) 3.379 13.834 ( 0.067 0.000 -0.320) 0.327 13.940 ( 5.482 0.000 -0.533) 5.508 14.006 ( 0.968 0.000 -5.964) 6.042 14.178 ( -5.661 0.000 -3.052) 6.432 14.300 ( 0.633 -0.000 2.987) 3.053 14.541 ( -10.795 -0.000 5.695) 12.205 14.694 ( -4.562 0.000 -2.661) 5.282 14.842 ( -12.951 -0.000 3.303) 13.366 14.970 ( -1.223 0.000 -2.918) 3.164 15.026 ( -6.709 -0.000 -3.162) 7.417 15.078 ( 0.213 -0.000 1.569) 1.583 15.208 ( 3.334 -0.000 1.686) 3.736 15.392 ( -7.225 -0.000 5.074) 8.828 15.594 ( 2.521 -0.000 2.428) 3.500 15.687 ( -0.256 -0.000 3.063) 3.073 15.803 ( 2.276 0.000 -5.127) 5.610 15.869 ( -11.036 -0.000 -1.228) 11.104 16.043 ( 1.697 0.000 -1.718) 2.415 16.553 ( -7.566 -0.000 2.061) 7.841 16.619 ( 2.878 -0.000 7.095) 7.657 16.630 ( 4.616 0.000 -3.706) 5.919 16.686 ( -0.592 0.000 -3.937) 3.982 16.830 ( 1.678 -0.000 1.741) 2.418 16.994 ( -4.799 0.000 -10.153) 11.230 17.153 ( -0.940 -0.000 5.401) 5.483 17.156 ( 6.049 0.000 0.421) 6.064 17.321 ( 2.909 0.000 -0.325) 2.927 17.658 ( 3.284 -0.000 3.262) 4.629 17.829 ( 2.307 -0.000 2.329) 3.278 18.133 ( 4.742 0.000 -9.669) 10.769 18.301 ( 1.903 -0.000 7.532) 7.769 19.241 ( 13.099 0.000 -2.625) 13.359 19.575 ( 21.748 0.000 -15.132) 26.494 19.996 ( -3.978 -0.000 -0.023) 3.978 21.003 ( -7.700 -0.000 6.933) 10.361 ======================= Grid point 39 (37/72) ======================= q-point: (-0.39 0.39 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 1.647 -12.852 0.000) 12.957 1.771 ( 5.560 -9.533 0.000) 11.035 2.104 ( 15.797 -3.091 -0.000) 16.097 2.136 ( 1.659 2.405 -0.000) 2.922 2.209 ( 3.331 2.413 -0.000) 4.114 2.579 ( -5.036 -0.115 0.000) 5.038 2.617 ( 5.989 0.944 -0.000) 6.063 2.658 ( 4.550 -2.612 0.000) 5.247 2.684 ( -1.724 6.323 -0.000) 6.554 2.899 ( 3.629 1.246 -0.000) 3.837 3.222 ( 4.502 2.251 -0.000) 5.033 3.244 ( -0.619 1.559 -0.000) 1.677 3.411 ( 13.589 -10.092 0.000) 16.926 3.687 ( -10.157 -1.878 0.000) 10.329 4.132 ( -6.608 2.818 0.000) 7.184 4.656 ( -1.434 -0.318 0.000) 1.469 4.783 ( -8.926 -14.130 0.000) 16.713 4.957 ( 3.532 4.905 -0.000) 6.044 5.208 ( 2.733 0.683 -0.000) 2.817 5.866 ( 5.974 10.286 -0.000) 11.895 5.976 ( -8.050 -3.993 0.000) 8.987 6.272 ( 2.441 2.360 -0.000) 3.395 6.468 ( 2.175 7.310 -0.000) 7.627 6.557 ( -0.856 -1.048 0.000) 1.353 6.720 ( -10.099 2.389 0.000) 10.377 6.873 ( 0.226 5.966 -0.000) 5.970 6.884 ( -7.520 -9.836 0.000) 12.381 6.952 ( -1.159 11.427 -0.000) 11.485 7.167 ( -3.151 -1.804 0.000) 3.631 7.335 ( 13.759 -5.912 -0.000) 14.975 7.425 ( -0.094 -8.710 0.000) 8.711 7.545 ( 2.672 -4.830 0.000) 5.520 7.927 ( 11.626 -0.969 -0.000) 11.667 8.042 ( 1.003 1.905 -0.000) 2.153 8.053 ( -2.864 2.402 -0.000) 3.738 8.150 ( 12.624 3.252 -0.000) 13.036 8.432 ( -2.224 2.507 -0.000) 3.352 8.658 ( -3.000 0.645 0.000) 3.069 8.752 ( 1.530 -6.684 0.000) 6.857 8.790 ( -5.310 1.291 0.000) 5.464 9.241 ( 6.592 4.644 -0.000) 8.064 9.348 ( 6.641 -5.998 0.000) 8.949 9.606 ( -9.130 -0.031 0.000) 9.130 9.679 ( 5.889 3.365 -0.000) 6.782 9.854 ( -5.359 -3.133 0.000) 6.207 9.906 ( 6.894 -8.036 0.000) 10.588 10.404 ( 2.238 -3.748 -0.000) 4.365 10.404 ( -0.485 0.774 0.000) 0.914 10.585 ( -7.420 6.669 -0.000) 9.977 10.972 ( -5.151 -4.379 0.000) 6.761 10.995 ( -10.868 5.922 -0.000) 12.377 11.428 ( -6.390 4.599 -0.000) 7.873 11.510 ( -11.210 -6.434 0.000) 12.925 11.789 ( -23.837 -1.296 0.000) 23.872 11.938 ( 11.692 6.834 -0.000) 13.543 12.034 ( -1.176 -7.397 0.000) 7.490 12.200 ( -3.155 -0.203 0.000) 3.162 12.386 ( -1.321 8.430 -0.000) 8.533 12.495 ( -3.156 -1.406 0.000) 3.455 12.945 ( -2.460 3.131 -0.000) 3.982 13.006 ( 7.313 -4.270 0.000) 8.469 13.375 ( 0.595 -6.198 0.000) 6.227 13.376 ( 4.340 3.116 -0.000) 5.343 13.551 ( 2.621 -1.941 0.000) 3.262 13.780 ( 5.053 0.442 -0.000) 5.073 14.033 ( 5.454 2.359 -0.000) 5.943 14.189 ( -13.754 3.283 0.000) 14.141 14.359 ( -0.292 -0.483 0.000) 0.564 14.435 ( -8.160 -4.770 0.000) 9.452 14.519 ( -2.389 4.446 -0.000) 5.047 14.544 ( 4.299 2.613 -0.000) 5.031 14.716 ( -10.127 -0.245 0.000) 10.130 14.877 ( -5.645 -1.260 0.000) 5.783 15.114 ( -0.505 -1.180 0.000) 1.284 15.160 ( -0.181 3.671 -0.000) 3.676 15.268 ( -2.661 -1.085 0.000) 2.874 15.315 ( 1.382 0.279 -0.000) 1.410 15.501 ( -9.825 -5.208 0.000) 11.120 15.620 ( -1.683 -3.397 0.000) 3.791 15.667 ( -5.605 -1.520 0.000) 5.807 15.918 ( 1.014 0.661 -0.000) 1.211 15.986 ( 3.531 -4.127 0.000) 5.431 16.318 ( -2.859 1.395 -0.000) 3.181 16.525 ( -0.405 -1.039 0.000) 1.115 16.620 ( 2.753 2.186 -0.000) 3.516 16.766 ( -4.113 3.800 -0.000) 5.600 16.901 ( -5.043 -0.528 0.000) 5.071 17.177 ( 8.859 -1.286 -0.000) 8.952 17.188 ( 7.540 1.653 -0.000) 7.720 17.290 ( 0.020 -5.286 0.000) 5.286 17.418 ( 1.768 -0.727 -0.000) 1.912 17.512 ( -4.955 5.718 -0.000) 7.566 18.421 ( 9.810 3.420 -0.000) 10.390 18.481 ( 19.771 -11.885 0.000) 23.068 18.915 ( 12.891 -7.154 0.000) 14.743 19.082 ( 2.484 7.543 -0.000) 7.941 19.326 ( 6.970 22.013 -0.000) 23.090 19.657 ( -9.123 7.975 -0.000) 12.117 20.368 ( -14.315 -16.405 0.000) 21.772 ======================= Grid point 42 (38/72) ======================= q-point: ( 0.45 -0.45 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -3.365 -0.982 0.000) 3.505 1.918 ( -4.022 -11.876 0.000) 12.539 2.114 ( -0.626 9.871 -0.000) 9.891 2.134 ( 3.469 -0.433 -0.000) 3.495 2.405 ( 0.459 1.136 -0.000) 1.225 2.430 ( 3.022 3.350 -0.000) 4.512 2.650 ( 6.273 1.200 -0.000) 6.387 2.715 ( -3.829 -2.116 0.000) 4.375 2.789 ( 2.024 -3.632 0.000) 4.158 2.961 ( 4.200 1.662 -0.000) 4.517 3.169 ( 2.337 4.810 -0.000) 5.348 3.181 ( 0.599 5.153 -0.000) 5.188 3.535 ( -2.840 2.345 -0.000) 3.682 3.654 ( -3.685 -3.545 0.000) 5.114 4.020 ( -0.249 -0.378 0.000) 0.453 4.533 ( -0.101 7.409 -0.000) 7.410 4.719 ( -9.974 -0.167 0.000) 9.975 4.959 ( 4.836 4.796 -0.000) 6.811 5.356 ( 0.581 -7.514 0.000) 7.536 5.748 ( -4.191 3.429 -0.000) 5.415 5.894 ( 7.340 1.617 -0.000) 7.516 6.302 ( -0.923 0.138 0.000) 0.933 6.513 ( -4.184 1.522 0.000) 4.452 6.552 ( -2.124 -2.211 0.000) 3.066 6.603 ( 2.745 13.397 -0.000) 13.675 6.679 ( 8.339 -4.351 0.000) 9.406 6.843 ( 3.331 2.938 -0.000) 4.441 7.097 ( -3.124 -16.213 0.000) 16.511 7.219 ( -2.135 -6.627 0.000) 6.962 7.375 ( -6.994 1.354 0.000) 7.124 7.624 ( 7.115 3.518 -0.000) 7.937 7.679 ( -1.916 -5.398 0.000) 5.727 7.971 ( -1.702 -0.203 0.000) 1.714 8.052 ( -11.947 1.759 0.000) 12.076 8.215 ( 7.174 -6.692 0.000) 9.810 8.240 ( 4.293 -8.769 0.000) 9.763 8.386 ( -0.275 -2.429 0.000) 2.445 8.615 ( 6.741 -0.788 -0.000) 6.787 8.740 ( -0.088 -2.173 0.000) 2.175 8.894 ( 3.091 -1.074 -0.000) 3.273 9.373 ( 7.313 3.350 -0.000) 8.043 9.445 ( -6.275 -2.783 0.000) 6.864 9.532 ( 0.975 2.923 -0.000) 3.081 9.694 ( -11.350 -1.691 0.000) 11.475 9.771 ( 5.730 -3.132 0.000) 6.530 10.114 ( -2.768 0.432 0.000) 2.802 10.207 ( -5.046 4.478 -0.000) 6.747 10.312 ( -3.803 8.519 -0.000) 9.329 10.633 ( 20.556 6.322 -0.000) 21.506 10.723 ( 6.153 9.349 -0.000) 11.192 10.769 ( -15.414 3.901 0.000) 15.900 11.315 ( 2.651 3.057 -0.000) 4.046 11.386 ( -19.750 -6.128 0.000) 20.678 11.388 ( -8.386 0.483 0.000) 8.400 11.974 ( -9.799 3.894 0.000) 10.544 12.005 ( 5.439 -0.882 -0.000) 5.510 12.261 ( 1.649 -2.946 0.000) 3.376 12.429 ( 8.510 -4.428 0.000) 9.593 12.463 ( -2.415 -0.804 0.000) 2.546 12.855 ( 0.944 2.657 -0.000) 2.820 13.123 ( -0.157 1.604 -0.000) 1.612 13.445 ( 3.095 -3.066 0.000) 4.357 13.463 ( -4.279 -4.452 0.000) 6.175 13.645 ( 1.846 0.700 -0.000) 1.974 13.852 ( 2.148 -0.267 -0.000) 2.164 13.958 ( -1.071 -1.818 0.000) 2.110 14.062 ( 1.484 1.303 -0.000) 1.975 14.314 ( 5.241 3.504 -0.000) 6.304 14.383 ( -3.461 -2.438 0.000) 4.234 14.475 ( -9.786 -0.115 0.000) 9.786 14.500 ( -2.810 -1.575 0.000) 3.222 14.682 ( 4.729 -0.240 -0.000) 4.735 14.802 ( -3.566 -0.854 0.000) 3.667 15.052 ( 1.353 6.727 -0.000) 6.861 15.092 ( -0.534 2.293 -0.000) 2.354 15.191 ( -4.659 0.498 0.000) 4.685 15.314 ( -1.935 -0.907 0.000) 2.137 15.478 ( -2.714 -4.742 0.000) 5.464 15.524 ( -9.412 -5.329 0.000) 10.816 15.774 ( 4.468 -0.378 -0.000) 4.484 15.917 ( 1.129 1.258 -0.000) 1.691 16.024 ( -0.202 1.803 -0.000) 1.814 16.366 ( -0.237 -7.929 0.000) 7.932 16.531 ( -0.922 -1.009 0.000) 1.367 16.663 ( 5.568 0.809 -0.000) 5.626 16.721 ( 0.843 -1.464 0.000) 1.690 16.795 ( -4.579 2.393 -0.000) 5.167 17.087 ( 0.295 10.460 -0.000) 10.464 17.276 ( 5.456 2.256 -0.000) 5.904 17.389 ( 2.114 -0.582 -0.000) 2.192 17.438 ( -1.122 -1.141 0.000) 1.600 17.458 ( -2.854 -3.071 0.000) 4.192 18.420 ( 5.917 11.305 -0.000) 12.760 18.603 ( -6.245 20.193 -0.000) 21.137 18.944 ( 2.721 15.582 -0.000) 15.818 19.129 ( 12.986 -3.744 -0.000) 13.515 19.391 ( 11.490 -7.143 0.000) 13.530 19.639 ( 0.274 -14.096 0.000) 14.099 20.483 ( -12.946 -19.804 0.000) 23.660 ======================= Grid point 44 (39/72) ======================= q-point: (-0.37 0.13 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.000 -17.183 14.583) 22.537 1.544 ( 0.000 -13.157 -5.148) 14.128 1.881 ( 0.000 2.417 8.408) 8.748 2.088 ( -0.000 1.293 -0.438) 1.365 2.101 ( -0.000 0.810 -5.178) 5.241 2.398 ( 0.000 -5.935 -7.391) 9.479 2.538 ( 0.000 -4.269 -2.070) 4.744 2.747 ( -0.000 4.134 -2.790) 4.988 2.818 ( -0.000 8.909 5.596) 10.521 2.849 ( -0.000 1.457 0.505) 1.542 2.987 ( 0.000 -2.242 -0.700) 2.348 3.264 ( -0.000 -7.283 -11.642) 13.733 3.313 ( -0.000 -1.046 -1.852) 2.127 3.836 ( 0.000 1.098 6.428) 6.521 4.272 ( 0.000 1.276 2.442) 2.755 4.725 ( -0.000 -3.490 -5.968) 6.914 4.815 ( -0.000 5.622 5.546) 7.897 5.156 ( 0.000 -9.224 -6.557) 11.317 5.182 ( 0.000 -6.517 -5.327) 8.417 5.717 ( -0.000 15.076 1.362) 15.137 6.072 ( 0.000 -5.675 6.107) 8.337 6.201 ( 0.000 -4.527 -1.196) 4.682 6.602 ( -0.000 9.730 4.405) 10.680 6.712 ( 0.000 0.358 1.746) 1.783 6.741 ( -0.000 6.654 -1.614) 6.847 6.928 ( -0.000 8.750 -1.867) 8.947 6.942 ( -0.000 11.345 -6.290) 12.972 6.965 ( -0.000 2.803 -1.697) 3.277 7.257 ( 0.000 -0.735 0.964) 1.213 7.298 ( 0.000 -0.223 3.591) 3.598 7.305 ( 0.000 -10.170 2.024) 10.369 7.458 ( -0.000 4.118 -3.648) 5.501 7.468 ( 0.000 -11.314 9.106) 14.524 7.632 ( 0.000 -11.394 2.835) 11.742 8.084 ( -0.000 5.276 -5.127) 7.357 8.204 ( -0.000 2.290 -0.219) 2.300 8.414 ( -0.000 0.303 0.034) 0.305 8.609 ( 0.000 -2.839 2.801) 3.988 8.865 ( 0.000 -0.928 3.454) 3.576 8.896 ( 0.000 0.063 3.254) 3.255 9.135 ( -0.000 1.509 -7.458) 7.609 9.194 ( -0.000 1.195 -7.351) 7.448 9.469 ( 0.000 0.308 6.447) 6.454 9.780 ( 0.000 -11.314 -7.257) 13.441 9.861 ( 0.000 -1.855 9.104) 9.291 9.921 ( -0.000 2.698 0.697) 2.787 10.469 ( 0.000 -9.311 -4.293) 10.253 10.502 ( -0.000 3.051 -8.136) 8.689 10.991 ( -0.000 6.525 1.961) 6.813 11.178 ( 0.000 -9.310 0.495) 9.323 11.217 ( -0.000 2.856 -0.351) 2.878 11.369 ( -0.000 3.672 1.451) 3.948 11.626 ( 0.000 -3.389 0.778) 3.477 11.909 ( -0.000 13.131 0.075) 13.131 11.954 ( -0.000 2.202 2.973) 3.700 12.149 ( 0.000 -6.630 1.031) 6.709 12.285 ( 0.000 -3.138 -1.789) 3.613 12.505 ( 0.000 -1.474 1.555) 2.142 12.814 ( -0.000 -0.390 -3.253) 3.277 12.909 ( -0.000 2.465 0.352) 2.490 12.970 ( -0.000 2.614 2.831) 3.853 13.167 ( -0.000 10.271 -4.106) 11.061 13.363 ( -0.000 -0.574 -2.251) 2.323 13.435 ( 0.000 -13.200 5.308) 14.227 13.727 ( -0.000 0.452 -8.901) 8.912 13.902 ( 0.000 -1.090 -0.607) 1.248 14.180 ( 0.000 -1.849 9.210) 9.394 14.445 ( 0.000 -3.434 -3.991) 5.265 14.586 ( -0.000 9.439 2.048) 9.658 14.702 ( -0.000 1.879 1.057) 2.156 14.756 ( -0.000 3.867 -0.311) 3.880 14.832 ( 0.000 -3.783 1.133) 3.949 15.031 ( 0.000 -1.318 -0.706) 1.495 15.097 ( -0.000 0.376 -1.425) 1.474 15.250 ( 0.000 -0.310 -0.032) 0.311 15.257 ( -0.000 0.608 -0.153) 0.627 15.266 ( 0.000 0.097 1.899) 1.902 15.584 ( 0.000 -0.861 3.287) 3.398 15.652 ( 0.000 -0.460 0.182) 0.495 15.862 ( -0.000 1.783 0.028) 1.783 15.922 ( 0.000 -8.650 -4.594) 9.794 16.158 ( 0.000 -1.261 -0.002) 1.261 16.379 ( -0.000 1.770 1.279) 2.184 16.526 ( 0.000 -0.669 0.247) 0.714 16.694 ( 0.000 -1.069 -0.814) 1.344 16.835 ( -0.000 3.486 -1.627) 3.847 16.953 ( -0.000 1.540 -2.668) 3.080 17.033 ( 0.000 -2.117 5.784) 6.159 17.101 ( -0.000 2.548 2.984) 3.924 17.215 ( 0.000 -5.836 2.568) 6.376 17.257 ( -0.000 4.346 -3.085) 5.330 17.644 ( -0.000 -0.348 -7.714) 7.722 17.833 ( 0.000 -4.434 2.171) 4.937 18.140 ( 0.000 -3.735 0.522) 3.772 18.576 ( 0.000 -3.939 -4.550) 6.018 19.038 ( -0.000 1.869 0.298) 1.893 19.156 ( -0.000 19.333 0.837) 19.351 19.893 ( -0.000 9.149 -3.791) 9.903 20.613 ( 0.000 -13.513 9.389) 16.455 ======================= Grid point 45 (40/72) ======================= q-point: ( 0.13 0.13 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 -0.000 28.212) 28.212 0.634 ( 0.000 -0.000 31.635) 31.635 1.011 ( 0.000 -0.000 50.191) 50.191 1.578 ( 0.000 -0.000 6.407) 6.407 1.928 ( -0.000 0.000 -3.440) 3.440 2.221 ( 0.000 -0.000 7.163) 7.163 2.312 ( 0.000 -0.000 1.550) 1.550 2.712 ( -0.000 0.000 -5.826) 5.826 2.843 ( -0.000 0.000 -13.609) 13.609 2.975 ( 0.000 -0.000 6.823) 6.823 3.303 ( -0.000 0.000 -6.003) 6.003 3.359 ( 0.000 -0.000 10.094) 10.094 3.573 ( -0.000 0.000 -0.257) 0.257 3.879 ( -0.000 0.000 -4.344) 4.344 3.994 ( -0.000 0.000 -2.902) 2.902 4.343 ( 0.000 -0.000 1.160) 1.160 4.355 ( 0.000 -0.000 3.175) 3.175 5.441 ( 0.000 -0.000 2.398) 2.398 5.790 ( -0.000 0.000 -5.653) 5.653 6.148 ( -0.000 0.000 -14.640) 14.640 6.245 ( -0.000 0.000 -3.379) 3.379 6.522 ( 0.000 -0.000 5.549) 5.549 6.581 ( 0.000 -0.000 3.558) 3.558 6.589 ( -0.000 0.000 -1.794) 1.794 6.675 ( -0.000 0.000 -9.379) 9.379 6.871 ( -0.000 0.000 -7.485) 7.485 6.871 ( 0.000 -0.000 1.795) 1.795 7.127 ( -0.000 0.000 -4.314) 4.314 7.246 ( -0.000 0.000 -2.513) 2.513 7.350 ( -0.000 0.000 -0.995) 0.995 7.408 ( 0.000 -0.000 14.956) 14.956 7.456 ( -0.000 0.000 -4.715) 4.715 7.697 ( -0.000 0.000 -0.989) 0.989 7.925 ( 0.000 -0.000 3.588) 3.588 8.044 ( 0.000 -0.000 8.260) 8.260 8.233 ( 0.000 -0.000 0.164) 0.164 8.511 ( -0.000 0.000 -7.462) 7.462 8.517 ( 0.000 -0.000 3.692) 3.692 8.633 ( 0.000 -0.000 1.213) 1.213 9.086 ( 0.000 -0.000 3.473) 3.473 9.278 ( -0.000 0.000 -3.533) 3.533 9.365 ( -0.000 0.000 -5.877) 5.877 9.649 ( 0.000 -0.000 8.425) 8.425 9.836 ( 0.000 -0.000 3.808) 3.808 9.872 ( 0.000 -0.000 8.367) 8.367 10.063 ( -0.000 0.000 -13.424) 13.424 10.218 ( -0.000 0.000 -6.652) 6.652 10.381 ( -0.000 0.000 -2.275) 2.275 10.628 ( 0.000 -0.000 8.929) 8.929 10.781 ( 0.000 -0.000 13.868) 13.868 11.336 ( 0.000 -0.000 0.732) 0.732 11.478 ( -0.000 0.000 -7.950) 7.950 11.525 ( 0.000 -0.000 0.017) 0.017 11.688 ( -0.000 0.000 -8.198) 8.198 11.955 ( -0.000 0.000 -3.047) 3.047 12.193 ( 0.000 -0.000 7.902) 7.902 12.291 ( 0.000 -0.000 1.324) 1.324 12.579 ( -0.000 0.000 -1.552) 1.552 12.822 ( 0.000 -0.000 1.394) 1.394 12.924 ( -0.000 0.000 -2.440) 2.440 13.071 ( -0.000 0.000 -3.777) 3.777 13.157 ( -0.000 0.000 -1.370) 1.370 13.226 ( 0.000 -0.000 5.385) 5.385 13.792 ( -0.000 0.000 -3.320) 3.320 13.811 ( 0.000 -0.000 0.456) 0.456 13.821 ( 0.000 -0.000 1.533) 1.533 14.041 ( -0.000 0.000 -1.257) 1.257 14.470 ( -0.000 0.000 -6.055) 6.055 14.645 ( 0.000 -0.000 2.797) 2.797 14.793 ( -0.000 0.000 -2.770) 2.770 14.970 ( 0.000 -0.000 2.084) 2.084 15.038 ( -0.000 0.000 -5.117) 5.117 15.072 ( 0.000 -0.000 2.009) 2.009 15.159 ( -0.000 0.000 -10.274) 10.274 15.188 ( 0.000 -0.000 1.346) 1.346 15.238 ( -0.000 0.000 -0.266) 0.266 15.317 ( -0.000 0.000 -0.330) 0.330 15.584 ( 0.000 -0.000 0.259) 0.259 15.910 ( 0.000 -0.000 18.855) 18.855 15.938 ( -0.000 0.000 -1.602) 1.602 15.953 ( -0.000 0.000 -1.694) 1.694 16.113 ( 0.000 -0.000 1.509) 1.509 16.474 ( 0.000 -0.000 0.359) 0.359 16.522 ( -0.000 0.000 -2.130) 2.130 16.815 ( -0.000 0.000 -3.641) 3.641 16.822 ( -0.000 0.000 -0.610) 0.610 16.863 ( -0.000 0.000 -2.133) 2.133 16.926 ( -0.000 0.000 -0.879) 0.879 17.004 ( 0.000 -0.000 6.217) 6.217 17.046 ( 0.000 -0.000 0.315) 0.315 17.482 ( -0.000 0.000 -5.531) 5.531 17.521 ( -0.000 0.000 -8.214) 8.214 17.694 ( 0.000 -0.000 3.119) 3.119 17.928 ( 0.000 -0.000 8.696) 8.696 18.095 ( 0.000 -0.000 7.220) 7.220 18.222 ( -0.000 0.000 -6.469) 6.469 19.052 ( 0.000 -0.000 0.422) 0.422 20.084 ( 0.000 -0.000 0.846) 0.846 21.115 ( 0.000 -0.000 3.587) 3.587 ======================= Grid point 46 (41/72) ======================= q-point: (-0.20 -0.30 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -10.300 2.492 -4.773) 11.623 2.024 ( -5.662 -3.570 -9.160) 11.345 2.094 ( -4.845 -2.155 4.993) 7.283 2.146 ( 3.663 -6.821 3.120) 8.347 2.294 ( -1.821 4.086 0.159) 4.476 2.381 ( 4.394 -4.635 -0.090) 6.388 2.574 ( -0.167 2.535 0.982) 2.723 2.656 ( 2.204 2.387 0.967) 3.390 2.830 ( -10.507 -1.001 -2.025) 10.747 2.957 ( 0.240 -4.520 0.122) 4.528 3.302 ( 0.329 -0.618 3.846) 3.909 3.337 ( 7.903 -1.091 2.243) 8.288 3.426 ( -2.863 3.280 -2.203) 4.880 3.560 ( -1.412 -6.238 -4.532) 7.839 4.040 ( 1.745 5.822 1.168) 6.189 4.561 ( -2.170 -10.135 0.572) 10.381 4.624 ( 1.522 -7.300 -2.853) 7.984 5.285 ( 0.118 6.808 1.261) 6.925 5.355 ( 1.349 3.189 -1.052) 3.619 5.755 ( 3.149 0.360 0.635) 3.233 5.964 ( -4.322 -4.962 5.539) 8.601 6.070 ( 6.286 -2.716 -2.464) 7.278 6.299 ( 1.282 2.811 -0.886) 3.214 6.504 ( -4.944 -3.489 -1.994) 6.372 6.628 ( 4.072 2.669 -0.986) 4.968 6.709 ( -0.146 2.183 3.678) 4.279 6.976 ( -2.548 -4.379 4.362) 6.685 7.097 ( 4.939 -3.935 -3.411) 7.177 7.319 ( -2.696 6.949 -1.329) 7.572 7.401 ( 0.942 12.694 -0.114) 12.729 7.569 ( -2.845 4.182 -2.418) 5.606 7.774 ( -8.116 -2.381 1.871) 8.663 7.910 ( -0.053 0.883 -1.783) 1.991 8.026 ( 3.751 -0.675 -0.766) 3.888 8.131 ( -4.171 6.072 -0.721) 7.401 8.251 ( -1.494 2.982 2.051) 3.915 8.446 ( 1.463 2.412 -1.516) 3.202 8.577 ( -1.722 0.928 -0.158) 1.963 8.772 ( 8.981 2.867 1.823) 9.602 9.124 ( -8.178 0.379 6.333) 10.350 9.219 ( 4.398 0.526 0.139) 4.432 9.265 ( -15.101 -3.218 -6.473) 16.742 9.541 ( 3.445 -0.928 -2.225) 4.205 9.696 ( 6.889 0.311 -1.661) 7.094 9.784 ( -0.114 4.309 2.799) 5.140 10.062 ( -2.903 -5.225 -3.764) 7.064 10.199 ( 3.195 -6.013 1.838) 7.053 10.256 ( 10.171 -1.128 0.612) 10.252 10.561 ( -10.246 -11.278 -4.128) 15.786 10.798 ( -6.162 -2.754 4.955) 8.373 10.889 ( 8.376 -6.274 3.871) 11.158 11.251 ( 1.455 4.328 -3.011) 5.469 11.405 ( 5.075 -5.055 -0.566) 7.185 11.422 ( 16.912 4.572 0.587) 17.529 11.908 ( 1.579 -7.641 -1.674) 7.980 12.137 ( 1.275 6.198 0.836) 6.383 12.176 ( -3.774 0.192 -0.253) 3.788 12.422 ( 0.308 -0.813 0.208) 0.894 12.549 ( -0.941 5.557 1.432) 5.815 12.852 ( 1.992 -0.908 1.088) 2.444 13.030 ( -2.221 -1.876 -1.507) 3.274 13.413 ( -1.836 5.422 -1.075) 5.825 13.548 ( -0.258 -0.464 -0.013) 0.531 13.724 ( -7.700 1.914 -1.754) 8.126 13.813 ( 0.260 0.821 -0.373) 0.938 13.973 ( 1.984 -5.166 4.226) 6.963 14.170 ( 4.470 -2.800 7.370) 9.063 14.200 ( 5.285 4.802 -4.017) 8.194 14.252 ( 3.495 2.773 -4.902) 6.628 14.426 ( -0.730 -1.264 0.412) 1.517 14.468 ( -2.270 0.420 0.076) 2.310 14.741 ( -0.305 1.080 0.654) 1.299 14.916 ( 4.153 -0.406 -0.281) 4.182 15.041 ( 0.337 -1.565 -0.000) 1.601 15.153 ( 0.006 -3.895 1.854) 4.313 15.168 ( 1.671 -1.538 -1.426) 2.682 15.285 ( 1.122 -0.723 -1.078) 1.716 15.460 ( 1.485 5.006 -0.534) 5.249 15.584 ( 6.434 2.325 -2.225) 7.194 15.759 ( -4.268 1.102 0.129) 4.410 15.923 ( -0.790 0.606 1.072) 1.463 15.977 ( 0.144 -5.162 -0.352) 5.176 16.354 ( -1.867 12.513 -0.569) 12.665 16.506 ( 0.700 0.660 0.160) 0.975 16.647 ( -2.696 -1.592 1.084) 3.313 16.767 ( 4.108 -0.418 0.622) 4.175 16.805 ( 2.302 2.967 -0.049) 3.756 17.019 ( -1.284 -7.521 0.154) 7.631 17.253 ( -2.599 3.156 -0.956) 4.199 17.301 ( -1.335 -9.937 0.836) 10.061 17.462 ( -1.966 0.180 -0.349) 2.004 17.631 ( 1.785 1.946 0.104) 2.643 18.393 ( -5.314 -6.079 -0.124) 8.075 18.588 ( 0.795 -20.342 -2.058) 20.461 18.817 ( -3.294 -21.536 0.315) 21.788 19.345 ( -7.406 3.086 -0.056) 8.024 19.546 ( -6.405 11.366 9.941) 16.402 19.613 ( 5.422 11.254 -1.244) 12.554 20.307 ( 5.981 21.689 -5.204) 23.093 ======================= Grid point 47 (42/72) ======================= q-point: ( 0.30 -0.30 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -16.499 18.773 -0.000) 24.993 1.689 ( -15.216 2.977 0.000) 15.505 1.952 ( -10.097 -2.354 0.000) 10.368 2.231 ( 0.722 -1.671 0.000) 1.820 2.264 ( -1.424 1.146 -0.000) 1.828 2.511 ( -2.863 -1.238 0.000) 3.119 2.668 ( 1.285 3.493 -0.000) 3.722 2.676 ( -2.051 -1.943 0.000) 2.825 2.794 ( -2.028 3.896 -0.000) 4.393 2.865 ( -5.928 3.179 -0.000) 6.727 3.156 ( -5.605 7.881 -0.000) 9.671 3.279 ( 7.578 -8.792 0.000) 11.607 3.396 ( 2.705 1.813 -0.000) 3.256 3.676 ( -3.307 -7.249 0.000) 7.968 4.117 ( 5.817 -1.453 -0.000) 5.996 4.379 ( -0.728 6.583 -0.000) 6.623 4.476 ( -8.176 4.276 -0.000) 9.227 4.959 ( 6.056 3.298 -0.000) 6.896 5.493 ( -0.561 -3.535 0.000) 3.580 5.750 ( 3.858 -4.299 0.000) 5.776 6.062 ( 7.644 -2.037 -0.000) 7.911 6.134 ( -6.396 3.728 -0.000) 7.403 6.408 ( 6.591 10.840 -0.000) 12.686 6.470 ( 4.260 3.577 -0.000) 5.563 6.652 ( -2.530 -8.087 0.000) 8.473 6.889 ( 9.785 3.316 -0.000) 10.332 6.950 ( 4.403 -3.936 0.000) 5.905 7.014 ( -5.740 6.113 -0.000) 8.386 7.372 ( -1.307 -10.571 0.000) 10.652 7.426 ( -10.782 -7.439 0.000) 13.099 7.535 ( -8.675 1.224 0.000) 8.761 7.658 ( -4.751 0.537 0.000) 4.781 7.791 ( -0.236 3.819 -0.000) 3.826 7.967 ( 1.171 0.187 -0.000) 1.185 8.419 ( 5.032 -4.482 0.000) 6.739 8.449 ( 0.360 -6.456 0.000) 6.466 8.599 ( 3.738 -14.958 0.000) 15.418 8.682 ( -1.021 -1.424 0.000) 1.752 8.859 ( -6.236 0.978 0.000) 6.312 9.005 ( -10.478 -4.135 0.000) 11.265 9.302 ( -8.611 1.102 0.000) 8.681 9.340 ( -2.452 2.791 -0.000) 3.715 9.457 ( 10.374 -6.488 0.000) 12.236 9.521 ( -3.237 6.826 -0.000) 7.554 9.792 ( -10.086 10.354 -0.000) 14.454 9.956 ( 5.978 -1.257 -0.000) 6.109 10.072 ( 6.195 13.044 -0.000) 14.440 10.223 ( -22.407 4.469 0.000) 22.848 10.262 ( 11.972 1.889 -0.000) 12.120 10.919 ( 22.203 1.667 -0.000) 22.266 10.930 ( 0.758 4.723 -0.000) 4.784 11.232 ( -1.899 2.771 -0.000) 3.359 11.292 ( 13.100 -3.336 -0.000) 13.518 11.440 ( 6.314 -2.897 -0.000) 6.947 11.703 ( -2.272 7.332 -0.000) 7.677 12.135 ( -0.701 -3.856 0.000) 3.919 12.310 ( -0.940 -1.525 0.000) 1.791 12.445 ( -0.643 -1.271 0.000) 1.424 12.697 ( 5.224 -6.713 0.000) 8.506 12.878 ( 5.127 2.030 -0.000) 5.515 12.936 ( -9.264 5.925 -0.000) 10.997 13.399 ( -7.573 -1.265 0.000) 7.678 13.592 ( -3.972 -0.956 0.000) 4.085 13.621 ( 2.050 -7.507 0.000) 7.782 13.846 ( -0.774 1.906 -0.000) 2.057 14.046 ( 4.207 4.524 -0.000) 6.178 14.157 ( 8.984 -0.838 -0.000) 9.023 14.293 ( -12.718 -2.305 0.000) 12.925 14.358 ( -7.935 0.571 0.000) 7.955 14.408 ( 5.494 -0.462 -0.000) 5.513 14.468 ( 10.892 2.063 -0.000) 11.085 14.759 ( 2.805 -0.815 -0.000) 2.921 14.830 ( 3.281 -2.049 0.000) 3.868 14.972 ( 2.604 3.544 -0.000) 4.398 15.034 ( 1.571 3.492 -0.000) 3.829 15.157 ( 1.936 -1.017 0.000) 2.187 15.300 ( -2.407 -0.505 0.000) 2.459 15.510 ( -2.131 -2.347 0.000) 3.170 15.544 ( -0.916 -6.366 0.000) 6.431 15.799 ( -1.347 -0.066 0.000) 1.348 15.927 ( 1.816 0.508 -0.000) 1.886 16.008 ( -0.897 -2.417 0.000) 2.579 16.522 ( 0.154 -4.068 0.000) 4.071 16.536 ( -2.027 -2.282 0.000) 3.052 16.608 ( 0.715 8.072 -0.000) 8.103 16.772 ( 3.165 2.237 -0.000) 3.876 16.803 ( 1.233 -6.132 0.000) 6.255 16.962 ( -0.387 1.402 -0.000) 1.455 17.333 ( 2.863 -0.613 -0.000) 2.927 17.352 ( -3.675 5.392 -0.000) 6.525 17.441 ( -4.625 -4.895 0.000) 6.734 17.450 ( 1.922 0.117 -0.000) 1.925 18.063 ( -5.910 16.363 -0.000) 17.397 18.214 ( 3.152 15.437 -0.000) 15.756 18.678 ( -3.480 8.261 -0.000) 8.964 19.247 ( -3.410 -1.876 0.000) 3.891 19.734 ( 7.844 -6.173 0.000) 9.981 20.063 ( 9.698 -10.474 0.000) 14.274 20.649 ( -9.197 -15.634 0.000) 18.138 ======================= Grid point 49 (43/72) ======================= q-point: ( 0.47 0.28 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 2.301 -5.603 18.756) 19.709 1.860 ( 10.232 -0.779 4.509) 11.209 1.905 ( 7.298 4.427 4.709) 9.748 2.021 ( 2.664 -0.317 -0.509) 2.730 2.134 ( 1.522 -0.982 -3.356) 3.813 2.467 ( 0.570 2.109 -6.549) 6.904 2.571 ( -1.475 0.468 4.905) 5.143 2.611 ( -2.713 6.513 -1.472) 7.207 2.713 ( 3.671 -7.450 -4.469) 9.431 2.869 ( 5.003 2.412 4.436) 7.108 3.119 ( 1.845 -3.487 -1.021) 4.075 3.310 ( -1.248 -0.340 -1.434) 1.931 3.434 ( 0.632 -3.329 -9.615) 10.194 3.784 ( -2.375 0.438 9.253) 9.563 4.185 ( -5.791 1.743 -0.542) 6.072 4.477 ( 3.412 16.481 0.437) 16.836 4.738 ( 0.195 4.417 2.881) 5.277 5.295 ( -5.470 4.507 -10.836) 12.948 5.340 ( -0.682 -6.650 -3.049) 7.348 5.714 ( 2.188 -18.612 -0.067) 18.740 6.092 ( -7.678 5.319 3.049) 9.826 6.243 ( -1.515 -3.937 3.745) 5.641 6.446 ( -3.582 10.305 1.776) 11.054 6.489 ( -1.562 -4.111 -2.603) 5.110 6.645 ( -2.143 4.340 -1.336) 5.021 6.744 ( 1.538 5.604 -5.261) 7.839 6.772 ( 1.737 6.453 -5.523) 8.669 7.118 ( 7.017 -4.266 0.380) 8.221 7.240 ( -0.217 -2.622 0.276) 2.645 7.410 ( 5.223 -3.946 0.956) 6.616 7.422 ( 10.734 0.593 4.212) 11.546 7.679 ( 0.594 -9.950 4.418) 10.903 7.769 ( 7.017 -3.669 3.502) 8.658 7.858 ( -2.138 -5.036 -0.819) 5.532 7.973 ( -0.349 -6.806 -0.457) 6.830 8.150 ( -3.604 -1.367 -2.505) 4.597 8.409 ( 1.565 0.793 0.332) 1.786 8.712 ( 2.412 -2.795 1.190) 3.879 8.723 ( 4.872 9.324 -0.539) 10.534 8.894 ( -1.091 -2.077 5.607) 6.078 9.223 ( 2.024 -1.775 -6.100) 6.668 9.316 ( 3.782 -6.350 -2.371) 7.762 9.499 ( 2.624 -0.899 0.966) 2.937 9.814 ( -7.967 -3.250 4.970) 9.937 9.896 ( -3.475 0.332 3.198) 4.735 10.031 ( 3.222 -8.083 0.470) 8.714 10.328 ( -3.519 11.310 -1.442) 11.933 10.526 ( -11.364 7.583 -2.098) 13.822 10.615 ( -9.408 -3.239 -2.133) 10.176 11.101 ( -8.492 3.413 2.606) 9.516 11.246 ( -8.030 -3.661 0.433) 8.836 11.400 ( -4.931 10.359 -0.689) 11.494 11.552 ( 13.567 4.122 -3.405) 14.583 11.740 ( -2.836 1.029 6.639) 7.292 11.960 ( 6.755 -2.012 -1.990) 7.324 12.223 ( -7.834 -1.592 -0.390) 8.004 12.272 ( -7.098 -3.443 -0.483) 7.904 12.491 ( -2.764 1.258 2.314) 3.818 12.561 ( -13.868 2.324 -5.553) 15.118 12.881 ( -0.204 2.908 -0.593) 2.975 12.984 ( 4.101 -2.916 2.434) 5.590 13.201 ( 10.671 0.721 -2.897) 11.080 13.412 ( 4.760 -0.436 0.240) 4.786 13.670 ( -3.454 -8.022 2.160) 8.997 13.758 ( 2.341 -1.309 -5.485) 6.105 13.926 ( 1.446 1.114 0.297) 1.849 14.253 ( 1.065 3.269 6.177) 7.069 14.329 ( -0.044 3.286 0.936) 3.417 14.408 ( -8.574 4.055 -1.645) 9.626 14.555 ( -3.058 -0.915 -3.178) 4.504 14.757 ( -6.943 -2.275 2.275) 7.652 14.814 ( -5.635 -5.013 0.831) 7.588 15.050 ( -2.327 -1.744 -2.185) 3.637 15.077 ( -1.706 1.237 -0.394) 2.144 15.206 ( -3.809 -0.240 -0.229) 3.823 15.279 ( 0.390 0.051 0.498) 0.635 15.302 ( 2.209 0.847 -0.439) 2.406 15.530 ( -0.652 -2.342 4.252) 4.898 15.734 ( 4.554 2.304 -1.111) 5.223 15.798 ( -4.680 -0.556 -1.295) 4.887 15.977 ( -9.741 -4.181 1.246) 10.673 16.244 ( 1.314 -8.038 -1.118) 8.221 16.294 ( -5.030 2.154 4.288) 6.951 16.524 ( -0.449 0.888 1.183) 1.546 16.592 ( -4.794 0.736 -0.599) 4.887 16.814 ( -3.921 2.134 -3.195) 5.490 16.870 ( 7.073 4.270 1.110) 8.336 17.046 ( -3.806 1.350 -1.454) 4.293 17.077 ( 0.441 1.167 -2.612) 2.895 17.187 ( 5.192 0.300 6.684) 8.469 17.372 ( 3.211 -4.374 3.094) 6.246 17.673 ( -1.435 -0.364 -5.506) 5.702 18.153 ( 2.614 2.268 -0.260) 3.471 18.240 ( 21.767 -0.353 -1.149) 21.801 18.617 ( 9.215 11.961 2.804) 15.357 18.793 ( 4.848 22.152 -6.860) 23.692 18.978 ( 7.005 -2.952 -4.780) 8.979 19.822 ( -4.032 -6.581 -1.365) 7.837 20.859 ( -7.541 -16.367 8.633) 19.981 ======================= Grid point 50 (44/72) ======================= q-point: ( 0.14 -0.14 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -21.876 -0.000 0.000) 21.876 1.221 ( -26.408 -0.000 0.000) 26.408 1.738 ( -11.379 -0.000 0.000) 11.379 2.114 ( -40.586 -0.000 0.000) 40.586 2.215 ( -2.882 -0.000 0.000) 2.882 2.267 ( 0.619 0.000 -0.000) 0.619 2.493 ( -12.497 -0.000 0.000) 12.497 2.649 ( -1.805 -0.000 0.000) 1.805 2.731 ( 4.836 0.000 -0.000) 4.836 2.760 ( 3.169 0.000 -0.000) 3.169 2.998 ( 1.348 0.000 -0.000) 1.348 3.508 ( 3.832 0.000 -0.000) 3.832 3.520 ( 0.885 0.000 -0.000) 0.885 3.771 ( 4.479 0.000 -0.000) 4.479 4.223 ( 4.189 0.000 -0.000) 4.189 4.259 ( -8.811 -0.000 0.000) 8.811 4.282 ( -0.777 -0.000 0.000) 0.777 5.118 ( 11.160 0.000 -0.000) 11.160 5.438 ( -3.557 -0.000 0.000) 3.557 5.933 ( -5.560 -0.000 0.000) 5.560 6.037 ( 11.838 0.000 -0.000) 11.838 6.301 ( 10.540 0.000 -0.000) 10.540 6.438 ( 9.928 0.000 -0.000) 9.928 6.546 ( 7.439 0.000 -0.000) 7.439 6.686 ( -4.818 -0.000 0.000) 4.818 6.842 ( -3.288 -0.000 0.000) 3.288 7.017 ( 0.740 0.000 -0.000) 0.740 7.070 ( 10.229 0.000 -0.000) 10.229 7.152 ( -13.291 -0.000 0.000) 13.291 7.404 ( -5.576 -0.000 0.000) 5.576 7.513 ( -1.281 -0.000 0.000) 1.281 7.528 ( -3.557 -0.000 0.000) 3.557 7.789 ( 1.514 0.000 -0.000) 1.514 8.022 ( 4.984 0.000 -0.000) 4.984 8.371 ( -15.279 -0.000 0.000) 15.279 8.455 ( -23.316 -0.000 0.000) 23.316 8.579 ( -4.788 -0.000 0.000) 4.788 8.715 ( -6.206 -0.000 0.000) 6.206 8.897 ( 14.881 0.000 -0.000) 14.881 9.054 ( 3.880 0.000 -0.000) 3.880 9.083 ( -13.269 -0.000 0.000) 13.269 9.200 ( 4.138 0.000 -0.000) 4.138 9.248 ( -1.576 -0.000 0.000) 1.576 9.419 ( -17.057 -0.000 0.000) 17.057 9.945 ( 3.547 0.000 -0.000) 3.547 9.962 ( 11.831 0.000 -0.000) 11.831 10.012 ( 4.809 0.000 -0.000) 4.809 10.131 ( 8.671 0.000 -0.000) 8.671 10.481 ( 12.162 0.000 -0.000) 12.162 10.580 ( -20.821 -0.000 0.000) 20.821 11.258 ( 8.083 0.000 -0.000) 8.083 11.286 ( 11.072 0.000 -0.000) 11.072 11.533 ( -0.893 -0.000 0.000) 0.893 11.703 ( 13.413 0.000 -0.000) 13.413 11.849 ( 27.229 0.000 -0.000) 27.229 12.100 ( -4.837 -0.000 0.000) 4.837 12.303 ( -1.091 -0.000 0.000) 1.091 12.551 ( 9.118 0.000 -0.000) 9.118 12.600 ( -14.448 -0.000 0.000) 14.448 12.890 ( 2.888 0.000 -0.000) 2.888 12.904 ( 2.432 0.000 -0.000) 2.432 13.268 ( -5.540 -0.000 0.000) 5.540 13.522 ( -5.074 -0.000 0.000) 5.074 13.750 ( -2.016 -0.000 0.000) 2.016 13.789 ( 1.041 0.000 -0.000) 1.041 14.038 ( -12.212 -0.000 0.000) 12.212 14.064 ( 2.816 0.000 -0.000) 2.816 14.148 ( -9.656 -0.000 0.000) 9.656 14.310 ( 8.692 0.000 -0.000) 8.692 14.593 ( 9.150 0.000 -0.000) 9.150 14.700 ( 12.289 0.000 -0.000) 12.289 14.872 ( 6.603 0.000 -0.000) 6.603 14.959 ( 5.623 0.000 -0.000) 5.623 15.017 ( 2.575 0.000 -0.000) 2.575 15.032 ( 5.773 0.000 -0.000) 5.773 15.219 ( -5.148 -0.000 0.000) 5.148 15.273 ( 6.836 0.000 -0.000) 6.836 15.495 ( -2.200 -0.000 0.000) 2.200 15.599 ( -1.056 -0.000 0.000) 1.056 15.781 ( -2.676 -0.000 0.000) 2.676 15.954 ( 0.943 0.000 -0.000) 0.943 16.071 ( -2.225 -0.000 0.000) 2.225 16.516 ( 9.753 0.000 -0.000) 9.753 16.518 ( -2.586 -0.000 0.000) 2.586 16.653 ( 0.211 0.000 -0.000) 0.211 16.786 ( 2.684 0.000 -0.000) 2.684 16.819 ( -4.608 -0.000 0.000) 4.608 17.033 ( -2.509 -0.000 0.000) 2.509 17.127 ( -5.654 -0.000 0.000) 5.654 17.317 ( -6.132 -0.000 0.000) 6.132 17.454 ( 4.252 0.000 -0.000) 4.252 17.498 ( 1.852 0.000 -0.000) 1.852 17.769 ( -4.257 -0.000 0.000) 4.257 18.042 ( 0.094 0.000 -0.000) 0.094 18.488 ( -6.875 -0.000 0.000) 6.875 19.151 ( -7.451 -0.000 0.000) 7.451 19.933 ( 5.815 0.000 -0.000) 5.815 20.349 ( 7.781 0.000 -0.000) 7.781 20.702 ( -5.465 -0.000 0.000) 5.465 ======================= Grid point 51 (45/72) ======================= q-point: (-0.36 -0.14 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -16.231 0.000 0.000) 16.231 2.019 ( -10.370 0.000 0.000) 10.370 2.070 ( -2.205 0.000 0.000) 2.205 2.080 ( -2.895 -0.000 0.000) 2.895 2.210 ( -1.669 0.000 0.000) 1.669 2.485 ( -9.366 0.000 0.000) 9.366 2.498 ( -0.155 -0.000 -0.000) 0.155 2.624 ( 6.645 0.000 0.000) 6.645 2.739 ( 0.706 0.000 0.000) 0.706 2.993 ( -2.569 0.000 0.000) 2.569 3.212 ( -4.938 0.000 -0.000) 4.938 3.362 ( -2.871 0.000 0.000) 2.871 3.556 ( -6.366 0.000 0.000) 6.366 3.567 ( 8.183 -0.000 -0.000) 8.183 4.053 ( 6.596 0.000 0.000) 6.596 4.712 ( 3.084 0.000 -0.000) 3.084 4.785 ( 2.305 0.000 0.000) 2.305 5.139 ( -0.800 0.000 0.000) 0.800 5.294 ( -1.190 -0.000 -0.000) 1.190 5.850 ( 4.127 0.000 -0.000) 4.127 5.894 ( -7.872 -0.000 0.000) 7.872 6.189 ( 5.718 0.000 -0.000) 5.718 6.372 ( 4.438 0.000 0.000) 4.438 6.403 ( 2.522 0.000 0.000) 2.522 6.756 ( 3.979 0.000 0.000) 3.979 6.853 ( 8.025 -0.000 0.000) 8.025 6.983 ( 0.727 0.000 0.000) 0.727 7.071 ( -2.094 0.000 0.000) 2.094 7.184 ( -5.138 0.000 0.000) 5.138 7.319 ( 0.980 0.000 0.000) 0.980 7.437 ( -5.643 0.000 -0.000) 5.643 7.529 ( -14.395 0.000 0.000) 14.395 7.837 ( 2.394 0.000 0.000) 2.394 8.028 ( -5.119 0.000 0.000) 5.119 8.112 ( -12.426 0.000 0.000) 12.426 8.115 ( 1.275 -0.000 -0.000) 1.275 8.433 ( 3.945 0.000 0.000) 3.945 8.600 ( -1.084 0.000 0.000) 1.084 8.704 ( -8.487 0.000 0.000) 8.487 9.018 ( -1.521 0.000 -0.000) 1.521 9.250 ( 11.561 0.000 0.000) 11.561 9.384 ( 11.428 0.000 0.000) 11.428 9.473 ( -10.704 0.000 0.000) 10.704 9.591 ( -7.034 0.000 0.000) 7.034 9.912 ( 4.094 0.000 0.000) 4.094 9.965 ( -8.547 0.000 0.000) 8.547 10.379 ( 10.677 -0.000 -0.000) 10.677 10.417 ( -0.174 0.000 0.000) 0.174 10.660 ( 4.092 0.000 -0.000) 4.092 10.852 ( 9.722 0.000 0.000) 9.722 11.028 ( 4.401 -0.000 0.000) 4.401 11.325 ( 10.630 0.000 0.000) 10.630 11.532 ( 6.318 0.000 0.000) 6.318 11.863 ( 23.179 0.000 0.000) 23.179 11.929 ( -11.305 -0.000 0.000) 11.305 12.071 ( -5.519 0.000 0.000) 5.519 12.144 ( 6.831 0.000 0.000) 6.831 12.455 ( 0.803 0.000 0.000) 0.803 12.523 ( 6.668 0.000 -0.000) 6.668 12.918 ( 3.127 0.000 0.000) 3.127 12.940 ( -7.949 0.000 0.000) 7.949 13.342 ( -0.252 -0.000 0.000) 0.252 13.493 ( -3.333 0.000 -0.000) 3.333 13.543 ( -7.743 0.000 0.000) 7.743 13.829 ( 1.627 0.000 0.000) 1.627 13.991 ( -3.606 0.000 -0.000) 3.606 14.281 ( -9.820 0.000 -0.000) 9.820 14.332 ( 12.246 0.000 -0.000) 12.246 14.362 ( 4.269 0.000 0.000) 4.269 14.399 ( 12.957 0.000 0.000) 12.957 14.540 ( 9.037 0.000 0.000) 9.037 14.673 ( -3.586 -0.000 -0.000) 3.586 15.015 ( 5.631 0.000 0.000) 5.631 15.090 ( -1.772 0.000 -0.000) 1.772 15.148 ( 3.131 0.000 0.000) 3.131 15.269 ( 0.394 0.000 -0.000) 0.394 15.345 ( 3.037 -0.000 0.000) 3.037 15.454 ( 0.447 0.000 0.000) 0.447 15.628 ( -0.469 0.000 0.000) 0.469 15.797 ( 13.133 0.000 -0.000) 13.133 15.905 ( -0.380 0.000 0.000) 0.380 16.022 ( -3.540 0.000 0.000) 3.540 16.190 ( 2.716 0.000 0.000) 2.716 16.519 ( 0.108 0.000 0.000) 0.108 16.618 ( -0.706 0.000 0.000) 0.706 16.804 ( 1.905 0.000 0.000) 1.905 16.894 ( 6.477 0.000 0.000) 6.477 17.089 ( -2.999 0.000 -0.000) 2.999 17.113 ( -4.869 -0.000 0.000) 4.869 17.338 ( -5.384 -0.000 0.000) 5.384 17.365 ( -6.356 0.000 -0.000) 6.356 17.692 ( 5.036 0.000 0.000) 5.036 18.308 ( -11.051 0.000 0.000) 11.051 18.644 ( -18.172 0.000 0.000) 18.172 18.948 ( -12.162 0.000 -0.000) 12.162 19.091 ( -4.302 -0.000 -0.000) 4.302 19.277 ( -4.723 0.000 -0.000) 4.723 19.736 ( 9.913 -0.000 0.000) 9.913 20.205 ( 11.846 0.000 -0.000) 11.846 ======================= Grid point 53 (46/72) ======================= q-point: ( 0.32 0.43 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 4.136 5.902 12.135) 14.114 1.890 ( 11.025 0.126 9.510) 14.560 2.055 ( 6.095 0.497 5.897) 8.495 2.136 ( -5.794 -1.479 -4.383) 7.414 2.223 ( 10.359 0.404 -0.844) 10.401 2.380 ( 2.561 8.848 -3.035) 9.698 2.483 ( 0.264 -0.485 -2.929) 2.981 2.584 ( 4.328 0.850 8.405) 9.492 2.871 ( -7.010 -4.245 -0.211) 8.198 2.945 ( 3.147 -1.977 3.563) 5.149 3.196 ( 2.254 0.044 -6.200) 6.598 3.353 ( -2.024 -6.232 -5.479) 8.541 3.381 ( -1.680 1.995 -2.878) 3.884 3.761 ( -1.684 -1.726 8.692) 9.020 4.036 ( 1.002 5.504 -5.077) 7.555 4.321 ( 2.002 4.976 0.536) 5.390 4.576 ( -2.110 7.085 8.788) 11.484 5.098 ( -2.007 5.511 -17.690) 18.637 5.519 ( 1.810 -6.561 -3.130) 7.491 5.823 ( -6.233 0.230 0.036) 6.237 5.982 ( -6.263 -10.776 -0.596) 12.478 6.142 ( -3.116 10.870 6.913) 13.254 6.337 ( 1.620 2.995 0.578) 3.454 6.500 ( -2.852 -0.283 1.483) 3.227 6.591 ( 2.719 -0.193 -1.211) 2.983 6.650 ( -2.844 1.205 -0.139) 3.092 6.873 ( 5.194 -7.989 -6.695) 11.646 7.295 ( -5.773 1.173 2.713) 6.486 7.359 ( 3.759 -2.056 -0.966) 4.392 7.406 ( 5.206 -1.708 -1.738) 5.748 7.579 ( 2.917 2.298 5.050) 6.268 7.841 ( 10.127 -0.970 -3.175) 10.657 7.892 ( 12.927 0.262 5.772) 14.159 7.972 ( -4.318 -4.918 -1.177) 6.650 8.107 ( -2.706 -1.443 -1.949) 3.633 8.368 ( 0.441 -9.502 3.964) 10.305 8.556 ( 6.235 -8.387 -4.395) 11.337 8.629 ( -4.002 -3.653 -2.243) 5.864 8.798 ( 3.076 -4.168 4.282) 6.721 8.918 ( 6.377 4.463 0.533) 7.802 9.316 ( -9.771 -12.744 1.772) 16.156 9.520 ( -4.048 -1.240 4.885) 6.465 9.638 ( 8.984 -1.307 -0.239) 9.082 9.666 ( 5.372 6.399 0.018) 8.355 9.764 ( -4.939 2.385 2.951) 6.229 9.929 ( -1.070 10.930 1.618) 11.101 10.161 ( -1.478 0.032 2.097) 2.566 10.254 ( -7.082 3.445 -3.998) 8.833 10.328 ( -9.061 10.649 -4.732) 14.761 10.719 ( -18.729 4.433 4.088) 19.675 11.078 ( -8.527 -1.661 -1.146) 8.763 11.216 ( -2.822 3.999 -0.984) 4.992 11.533 ( -7.229 2.480 -1.266) 7.747 11.792 ( -3.650 -0.404 5.573) 6.674 11.975 ( -9.862 -3.572 -0.088) 10.489 12.104 ( 0.308 -0.080 -0.345) 0.469 12.234 ( -7.000 2.071 -3.983) 8.315 12.372 ( 8.727 -2.398 -3.998) 9.894 12.460 ( 1.376 1.364 2.160) 2.902 12.797 ( -0.435 2.751 -2.716) 3.890 13.125 ( -1.232 -3.520 3.375) 5.030 13.432 ( 7.963 -4.830 -0.841) 9.351 13.571 ( 8.484 -1.568 1.236) 8.715 13.685 ( -4.583 -2.763 0.200) 5.355 13.837 ( 1.607 -1.837 -2.085) 3.210 13.868 ( -1.559 4.298 0.228) 4.577 14.093 ( 4.165 8.389 -1.006) 9.419 14.166 ( -6.578 1.231 -1.317) 6.821 14.366 ( 0.188 1.351 2.547) 2.889 14.548 ( -1.534 -1.859 -0.415) 2.446 14.685 ( -9.834 -6.784 8.443) 14.629 14.788 ( -7.141 -3.386 -3.482) 8.636 14.968 ( -2.740 2.480 -1.792) 4.107 15.041 ( -6.286 -1.228 -2.992) 7.069 15.080 ( -4.779 3.858 0.883) 6.205 15.268 ( -0.926 -3.118 1.265) 3.490 15.319 ( -0.766 -1.534 -0.057) 1.716 15.612 ( -0.452 -2.540 2.757) 3.776 15.723 ( -3.200 -0.219 -2.789) 4.251 15.744 ( -1.785 -1.362 -2.595) 3.431 15.831 ( 0.233 3.813 2.437) 4.531 16.077 ( -7.033 2.747 1.448) 7.688 16.521 ( 1.132 -1.135 -1.454) 2.164 16.559 ( 2.824 -8.796 -0.162) 9.240 16.597 ( 2.106 -4.163 2.218) 5.166 16.718 ( -1.892 4.218 -1.369) 4.822 16.844 ( -5.183 2.828 -6.851) 9.044 16.903 ( 1.992 1.299 2.560) 3.494 17.095 ( 3.224 1.345 2.966) 4.582 17.263 ( 3.109 0.170 5.322) 6.166 17.484 ( 0.595 0.877 2.457) 2.676 17.668 ( -2.142 -3.972 -5.170) 6.862 17.966 ( 8.269 16.050 -1.707) 18.135 18.226 ( -0.077 20.395 -1.857) 20.479 18.508 ( 6.071 4.416 8.572) 11.394 19.039 ( 21.714 -3.994 -12.207) 25.228 19.340 ( 14.461 -6.533 -2.395) 16.048 19.912 ( -3.553 -7.721 -0.301) 8.505 20.990 ( -9.710 -11.943 5.767) 16.437 ======================= Grid point 58 (47/72) ======================= q-point: ( 0.16 -0.41 -0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -8.430 -0.000 4.078) 9.365 1.999 ( -9.707 0.000 -6.244) 11.542 2.096 ( -1.244 -0.000 1.671) 2.083 2.149 ( 10.718 -0.000 7.430) 13.042 2.329 ( 3.564 -0.000 3.111) 4.731 2.403 ( 3.852 0.000 1.366) 4.087 2.474 ( 0.631 0.000 -2.904) 2.972 2.738 ( -6.035 -0.000 0.206) 6.038 2.775 ( 11.032 0.000 4.281) 11.833 2.962 ( -5.267 -0.000 4.526) 6.945 3.183 ( -6.617 -0.000 -0.333) 6.625 3.266 ( 4.310 0.000 -13.424) 14.099 3.487 ( -1.135 0.000 -3.491) 3.671 3.762 ( -1.618 -0.000 6.228) 6.435 4.044 ( 5.962 0.000 -5.261) 7.951 4.303 ( 0.761 0.000 0.195) 0.785 4.424 ( -3.874 -0.000 8.949) 9.751 5.034 ( 1.825 0.000 -18.721) 18.810 5.607 ( -1.095 0.000 -2.036) 2.312 5.824 ( -1.277 0.000 -4.799) 4.966 5.906 ( -1.277 -0.000 17.993) 18.038 6.004 ( -2.142 -0.000 2.543) 3.325 6.318 ( 4.109 0.000 -2.139) 4.632 6.411 ( -6.621 -0.000 -1.358) 6.759 6.627 ( -1.122 -0.000 8.084) 8.162 6.665 ( 8.309 0.000 -4.050) 9.244 7.047 ( -9.433 -0.000 4.950) 10.653 7.129 ( 6.136 0.000 -13.591) 14.912 7.480 ( 4.634 0.000 -1.603) 4.903 7.515 ( -0.847 0.000 -1.499) 1.722 7.660 ( 6.833 0.000 3.155) 7.526 7.856 ( -9.595 -0.000 -4.702) 10.685 7.895 ( -7.566 -0.000 4.758) 8.937 8.020 ( -6.130 -0.000 1.125) 6.233 8.239 ( 19.222 0.000 -3.173) 19.483 8.376 ( -5.864 -0.000 -0.481) 5.884 8.514 ( 4.629 -0.000 4.352) 6.353 8.767 ( -2.641 -0.000 0.896) 2.789 9.085 ( 8.961 0.000 1.617) 9.106 9.154 ( 6.239 0.000 2.706) 6.801 9.267 ( -10.824 -0.000 3.086) 11.255 9.423 ( 5.057 -0.000 4.111) 6.517 9.513 ( -4.868 -0.000 -1.138) 5.000 9.559 ( -0.952 0.000 -2.832) 2.987 9.699 ( -14.256 -0.000 -4.233) 14.872 9.890 ( -6.565 -0.000 2.147) 6.907 9.969 ( -2.436 -0.000 3.698) 4.428 10.188 ( 5.524 0.000 -0.869) 5.592 10.381 ( 4.993 -0.000 3.852) 6.306 10.490 ( 21.867 0.000 -3.048) 22.079 10.756 ( -24.448 -0.000 -3.674) 24.723 11.187 ( 3.434 0.000 0.121) 3.437 11.333 ( -6.925 -0.000 -2.245) 7.280 11.654 ( -5.874 -0.000 0.496) 5.895 11.703 ( -16.311 -0.000 2.141) 16.450 12.198 ( 2.553 -0.000 1.580) 3.002 12.249 ( 5.840 0.000 -1.927) 6.150 12.439 ( -0.391 -0.000 1.856) 1.897 12.629 ( 9.836 0.000 -1.960) 10.029 12.779 ( 1.417 0.000 -1.139) 1.818 13.052 ( -7.214 -0.000 0.876) 7.267 13.595 ( -5.902 -0.000 -2.235) 6.311 13.656 ( 2.276 0.000 0.237) 2.289 13.716 ( 3.385 -0.000 6.000) 6.889 13.766 ( -0.469 0.000 -4.685) 4.708 13.935 ( 5.236 0.000 -5.456) 7.562 14.051 ( 0.753 -0.000 3.920) 3.992 14.166 ( 7.696 0.000 1.108) 7.776 14.351 ( -1.125 -0.000 2.487) 2.730 14.499 ( -4.197 -0.000 3.485) 5.456 14.623 ( -13.109 -0.000 0.498) 13.118 14.716 ( 4.426 0.000 1.047) 4.548 14.774 ( -8.213 -0.000 0.397) 8.222 14.931 ( 1.271 0.000 -4.159) 4.349 15.048 ( -0.981 0.000 -2.959) 3.118 15.249 ( -7.342 -0.000 -2.154) 7.651 15.312 ( 0.322 -0.000 2.932) 2.950 15.595 ( -2.708 -0.000 -0.855) 2.840 15.661 ( -1.149 0.000 -0.893) 1.455 15.776 ( 2.415 0.000 -0.307) 2.435 15.850 ( 3.116 0.000 0.825) 3.224 16.050 ( 2.114 0.000 -0.514) 2.175 16.421 ( -5.943 -0.000 0.554) 5.969 16.595 ( 2.637 0.000 -4.381) 5.113 16.664 ( 2.843 0.000 -1.441) 3.187 16.688 ( -3.157 0.000 -3.438) 4.668 16.921 ( 1.165 -0.000 2.742) 2.979 16.942 ( 4.990 -0.000 5.889) 7.719 17.172 ( -4.372 -0.000 1.902) 4.768 17.256 ( 4.250 0.000 0.647) 4.299 17.398 ( -0.661 -0.000 4.804) 4.849 17.707 ( -2.061 0.000 -2.006) 2.876 17.879 ( -0.393 -0.000 0.613) 0.728 18.028 ( 4.988 0.000 -8.847) 10.156 18.508 ( -0.159 -0.000 10.339) 10.340 19.355 ( 6.265 0.000 -7.018) 9.408 19.681 ( 10.255 0.000 -5.735) 11.750 19.993 ( 3.360 -0.000 2.540) 4.212 20.951 ( -7.776 -0.000 3.160) 8.393 ======================= Grid point 59 (48/72) ======================= q-point: (-0.17 0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.000 -24.826 -0.000) 24.826 1.102 ( 0.000 -25.811 -0.000) 25.811 1.703 ( 0.000 -27.550 -0.000) 27.550 1.966 ( 0.000 -1.999 -0.000) 1.999 2.114 ( -0.000 1.576 0.000) 1.576 2.168 ( 0.000 -10.864 -0.000) 10.864 2.611 ( -0.000 3.159 0.000) 3.159 2.625 ( 0.000 -1.288 -0.000) 1.288 2.851 ( -0.000 1.418 0.000) 1.418 2.998 ( 0.000 -0.579 -0.000) 0.579 3.048 ( 0.000 -1.876 -0.000) 1.876 3.113 ( -0.000 10.761 0.000) 10.761 3.276 ( -0.000 2.428 0.000) 2.428 3.898 ( -0.000 0.457 0.000) 0.457 4.306 ( 0.000 -1.197 -0.000) 1.197 4.503 ( 0.000 -20.200 -0.000) 20.200 4.552 ( 0.000 -5.898 -0.000) 5.898 5.014 ( -0.000 0.716 0.000) 0.716 5.475 ( -0.000 27.025 0.000) 27.025 5.827 ( 0.000 -10.394 -0.000) 10.394 5.973 ( -0.000 2.356 0.000) 2.356 6.326 ( -0.000 6.314 0.000) 6.314 6.673 ( 0.000 -3.926 -0.000) 3.926 6.885 ( 0.000 -10.187 -0.000) 10.187 6.926 ( -0.000 10.144 0.000) 10.144 6.939 ( -0.000 4.880 0.000) 4.880 7.028 ( 0.000 -1.064 -0.000) 1.064 7.104 ( -0.000 8.022 0.000) 8.022 7.140 ( -0.000 3.630 0.000) 3.630 7.204 ( 0.000 -2.812 -0.000) 2.812 7.348 ( -0.000 1.807 0.000) 1.807 7.377 ( 0.000 -2.715 -0.000) 2.715 7.549 ( 0.000 -1.553 -0.000) 1.553 7.632 ( -0.000 16.314 0.000) 16.314 8.173 ( -0.000 5.798 0.000) 5.798 8.300 ( -0.000 5.403 0.000) 5.403 8.398 ( 0.000 -2.646 -0.000) 2.646 8.585 ( 0.000 -4.203 -0.000) 4.203 8.720 ( 0.000 -9.326 -0.000) 9.326 8.869 ( 0.000 -1.161 -0.000) 1.161 9.162 ( -0.000 3.880 0.000) 3.880 9.298 ( -0.000 12.164 0.000) 12.164 9.369 ( 0.000 -13.651 -0.000) 13.651 9.525 ( 0.000 -1.468 -0.000) 1.468 9.916 ( 0.000 -4.489 -0.000) 4.489 10.058 ( -0.000 8.287 0.000) 8.287 10.147 ( 0.000 -12.557 -0.000) 12.557 10.463 ( -0.000 3.947 0.000) 3.947 10.858 ( 0.000 -18.383 -0.000) 18.383 11.111 ( -0.000 1.234 0.000) 1.234 11.278 ( -0.000 2.427 0.000) 2.427 11.482 ( -0.000 4.044 0.000) 4.044 11.567 ( 0.000 -2.149 -0.000) 2.149 11.972 ( 0.000 -8.551 -0.000) 8.551 12.040 ( -0.000 0.904 0.000) 0.904 12.157 ( 0.000 -4.426 -0.000) 4.426 12.248 ( -0.000 14.176 0.000) 14.176 12.483 ( 0.000 -2.424 -0.000) 2.424 12.788 ( -0.000 0.610 0.000) 0.610 12.960 ( -0.000 1.864 0.000) 1.864 13.057 ( -0.000 2.413 0.000) 2.413 13.211 ( 0.000 -5.730 -0.000) 5.730 13.362 ( 0.000 -3.388 -0.000) 3.388 13.368 ( -0.000 10.844 0.000) 10.844 13.640 ( -0.000 2.369 0.000) 2.369 13.856 ( 0.000 -1.980 -0.000) 1.980 14.218 ( 0.000 -8.060 -0.000) 8.060 14.261 ( 0.000 -5.981 -0.000) 5.981 14.771 ( -0.000 2.410 0.000) 2.410 14.798 ( -0.000 2.266 0.000) 2.266 14.817 ( -0.000 7.974 0.000) 7.974 14.898 ( -0.000 8.145 0.000) 8.145 14.984 ( 0.000 -1.590 -0.000) 1.590 15.108 ( -0.000 1.234 0.000) 1.234 15.241 ( 0.000 -0.191 -0.000) 0.191 15.281 ( -0.000 1.382 0.000) 1.382 15.309 ( -0.000 0.993 0.000) 0.993 15.579 ( 0.000 -12.313 -0.000) 12.313 15.630 ( 0.000 -1.528 -0.000) 1.528 15.636 ( 0.000 -0.283 -0.000) 0.283 15.912 ( -0.000 2.018 0.000) 2.018 16.124 ( 0.000 -1.345 -0.000) 1.345 16.408 ( 0.000 -1.149 -0.000) 1.149 16.502 ( 0.000 -1.353 -0.000) 1.353 16.687 ( -0.000 1.712 0.000) 1.712 16.844 ( 0.000 -2.051 -0.000) 2.051 16.983 ( -0.000 3.410 0.000) 3.410 17.018 ( 0.000 -6.502 -0.000) 6.502 17.081 ( 0.000 -6.393 -0.000) 6.393 17.119 ( 0.000 -3.393 -0.000) 3.393 17.405 ( -0.000 9.203 0.000) 9.203 17.502 ( -0.000 1.323 0.000) 1.323 17.803 ( 0.000 -3.836 -0.000) 3.836 18.058 ( 0.000 -3.095 -0.000) 3.095 18.408 ( 0.000 -5.318 -0.000) 5.318 19.000 ( 0.000 -3.807 -0.000) 3.807 19.627 ( -0.000 19.189 0.000) 19.189 20.153 ( -0.000 15.422 0.000) 15.422 20.452 ( 0.000 -11.062 -0.000) 11.062 ======================= Grid point 60 (49/72) ======================= q-point: ( 0.33 0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 3.641 26.905) 27.150 1.291 ( 0.000 7.059 24.760) 25.746 1.844 ( -0.000 2.360 -1.051) 2.584 1.856 ( -0.000 5.567 1.615) 5.796 2.093 ( 0.000 14.221 31.577) 34.632 2.338 ( 0.000 -3.609 -1.338) 3.849 2.413 ( 0.000 1.646 9.344) 9.488 2.564 ( -0.000 5.331 -9.435) 10.837 2.655 ( -0.000 2.029 -7.146) 7.428 3.070 ( 0.000 -7.769 -8.775) 11.720 3.108 ( 0.000 0.582 4.839) 4.874 3.418 ( 0.000 -6.679 -2.228) 7.040 3.539 ( 0.000 -1.777 12.708) 12.831 3.735 ( -0.000 -1.971 -8.669) 8.890 4.105 ( -0.000 14.041 -3.400) 14.447 4.320 ( 0.000 -2.279 -0.769) 2.405 4.506 ( -0.000 5.990 4.948) 7.769 5.385 ( -0.000 3.687 -7.673) 8.513 5.683 ( 0.000 -9.041 -10.654) 13.973 5.923 ( -0.000 6.948 2.724) 7.463 6.097 ( 0.000 -12.924 2.652) 13.194 6.361 ( 0.000 -10.261 0.578) 10.278 6.452 ( -0.000 -0.107 -5.085) 5.086 6.626 ( -0.000 2.917 -5.710) 6.412 6.648 ( -0.000 2.949 0.326) 2.967 6.764 ( -0.000 0.267 -7.563) 7.568 6.953 ( -0.000 -4.185 -8.171) 9.181 7.044 ( -0.000 5.812 4.520) 7.362 7.153 ( 0.000 -2.611 -2.661) 3.728 7.311 ( -0.000 -0.538 -2.331) 2.392 7.381 ( -0.000 2.449 -4.562) 5.178 7.623 ( 0.000 -9.070 6.856) 11.370 7.720 ( 0.000 3.100 4.667) 5.603 8.018 ( 0.000 -1.374 4.923) 5.111 8.036 ( 0.000 -9.795 7.197) 12.154 8.347 ( -0.000 3.241 2.480) 4.081 8.404 ( -0.000 6.163 -5.933) 8.555 8.505 ( 0.000 -12.492 0.978) 12.530 8.581 ( 0.000 -0.426 2.558) 2.593 9.048 ( 0.000 -7.945 -2.799) 8.424 9.247 ( 0.000 2.164 5.981) 6.360 9.291 ( -0.000 1.806 -4.829) 5.156 9.641 ( 0.000 -7.484 -3.956) 8.465 9.832 ( 0.000 -4.481 7.486) 8.724 9.947 ( 0.000 -4.145 7.897) 8.919 10.058 ( 0.000 -2.959 -0.171) 2.963 10.163 ( -0.000 15.951 -2.443) 16.137 10.408 ( 0.000 2.665 7.444) 7.907 10.871 ( -0.000 5.671 -2.358) 6.141 11.037 ( 0.000 2.653 7.626) 8.075 11.314 ( -0.000 0.674 -7.132) 7.164 11.352 ( 0.000 -1.674 1.949) 2.569 11.531 ( -0.000 6.040 -12.508) 13.890 11.566 ( 0.000 1.372 3.799) 4.039 11.914 ( -0.000 0.123 -1.846) 1.850 12.330 ( 0.000 -0.662 5.629) 5.668 12.362 ( -0.000 1.560 1.672) 2.287 12.494 ( 0.000 -3.758 -0.337) 3.773 12.855 ( 0.000 0.194 1.879) 1.889 12.887 ( -0.000 1.525 -4.230) 4.497 12.958 ( -0.000 -0.835 -6.199) 6.255 13.084 ( -0.000 -1.260 -3.590) 3.805 13.348 ( 0.000 -0.022 3.677) 3.677 13.738 ( 0.000 -1.015 1.516) 1.824 13.840 ( -0.000 1.899 -2.740) 3.333 13.871 ( 0.000 1.049 1.934) 2.200 14.080 ( -0.000 7.244 -1.978) 7.509 14.311 ( 0.000 -6.717 4.521) 8.097 14.557 ( 0.000 -5.958 -4.640) 7.552 14.716 ( -0.000 -0.773 -3.349) 3.437 14.881 ( -0.000 -3.037 -5.057) 5.899 14.982 ( 0.000 -3.789 -0.039) 3.789 15.028 ( 0.000 0.374 2.627) 2.654 15.174 ( -0.000 2.750 1.341) 3.059 15.222 ( -0.000 0.084 -0.120) 0.147 15.233 ( -0.000 0.143 -0.254) 0.292 15.299 ( 0.000 -0.734 -0.517) 0.898 15.608 ( -0.000 1.145 0.793) 1.392 15.636 ( 0.000 -14.969 4.172) 15.540 15.883 ( -0.000 -0.716 -2.839) 2.928 16.157 ( 0.000 0.139 2.365) 2.369 16.185 ( 0.000 -7.070 15.304) 16.858 16.335 ( 0.000 -2.334 -0.085) 2.336 16.492 ( -0.000 1.064 0.338) 1.117 16.678 ( -0.000 3.125 -4.424) 5.417 16.757 ( 0.000 -2.980 0.299) 2.994 16.914 ( -0.000 2.510 -1.515) 2.931 16.970 ( -0.000 4.291 -2.300) 4.869 17.004 ( -0.000 1.701 1.488) 2.260 17.257 ( 0.000 -1.157 8.029) 8.112 17.331 ( -0.000 -1.500 -7.761) 7.905 17.709 ( -0.000 2.084 -2.968) 3.626 17.822 ( -0.000 7.638 5.491) 9.407 18.196 ( -0.000 9.659 -1.455) 9.768 18.215 ( 0.000 -2.187 6.301) 6.670 18.369 ( -0.000 31.743 -18.385) 36.683 19.030 ( -0.000 -0.221 -4.114) 4.120 20.025 ( 0.000 -6.302 0.146) 6.303 21.059 ( 0.000 -13.543 9.246) 16.398 ======================= Grid point 63 (50/72) ======================= q-point: ( 0.18 0.32 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 9.595 -0.000 22.950) 24.875 1.280 ( 8.622 -0.000 25.486) 26.905 1.780 ( 4.460 -0.000 8.524) 9.620 1.995 ( 13.183 0.000 -0.909) 13.214 2.105 ( 11.188 -0.000 22.776) 25.376 2.321 ( -1.670 -0.000 0.143) 1.676 2.449 ( 5.012 -0.000 5.579) 7.500 2.562 ( 2.109 0.000 -1.635) 2.668 2.584 ( -1.649 0.000 -4.759) 5.037 3.044 ( -5.277 -0.000 4.524) 6.951 3.204 ( 3.863 0.000 -6.514) 7.574 3.504 ( -2.469 0.000 -1.681) 2.987 3.551 ( -0.423 -0.000 6.290) 6.304 3.728 ( -3.764 0.000 -5.721) 6.848 3.966 ( 4.496 0.000 -5.652) 7.222 4.330 ( -1.766 -0.000 -0.422) 1.815 4.408 ( -2.805 -0.000 5.539) 6.209 5.346 ( 1.594 0.000 -13.911) 14.002 5.755 ( -5.459 -0.000 9.403) 10.873 5.780 ( -4.410 0.000 -10.860) 11.721 6.127 ( -2.992 0.000 -6.583) 7.231 6.387 ( -5.908 0.000 -5.067) 7.783 6.423 ( -14.227 -0.000 -2.501) 14.445 6.591 ( -6.050 -0.000 8.243) 10.225 6.602 ( -2.224 0.000 -6.466) 6.838 6.649 ( -0.066 0.000 -1.413) 1.414 7.060 ( 5.268 0.000 -6.480) 8.351 7.099 ( 11.061 0.000 1.865) 11.217 7.312 ( 6.461 0.000 -0.457) 6.477 7.370 ( 0.285 -0.000 2.877) 2.891 7.435 ( 12.023 0.000 0.041) 12.023 7.494 ( -7.158 -0.000 -0.874) 7.211 7.814 ( 8.123 0.000 -1.054) 8.191 8.112 ( -5.715 -0.000 10.106) 11.610 8.180 ( -4.975 -0.000 0.729) 5.028 8.253 ( 17.295 0.000 4.775) 17.943 8.370 ( 1.036 0.000 -2.070) 2.315 8.729 ( 10.247 0.000 1.094) 10.306 8.858 ( 14.091 0.000 2.424) 14.298 9.033 ( -11.965 0.000 -6.518) 13.625 9.257 ( 8.123 -0.000 5.081) 9.581 9.318 ( -3.512 -0.000 5.095) 6.188 9.426 ( -17.174 -0.000 3.480) 17.523 9.810 ( -1.273 0.000 -8.014) 8.115 9.895 ( -4.057 -0.000 4.690) 6.201 9.958 ( -13.369 -0.000 0.213) 13.371 10.240 ( 2.860 -0.000 5.545) 6.239 10.276 ( -4.333 0.000 -2.680) 5.094 10.540 ( -14.832 -0.000 8.797) 17.245 10.886 ( -11.738 -0.000 7.077) 13.706 11.161 ( -8.387 0.000 -8.677) 12.068 11.355 ( -3.071 -0.000 -0.288) 3.085 11.592 ( 4.473 -0.000 5.347) 6.971 11.609 ( 7.097 0.000 -9.194) 11.614 12.046 ( 5.689 0.000 -1.662) 5.926 12.279 ( -2.167 -0.000 1.390) 2.575 12.344 ( 0.685 -0.000 3.379) 3.448 12.350 ( -12.039 -0.000 0.029) 12.039 12.652 ( -18.300 -0.000 -7.554) 19.798 12.859 ( -1.310 0.000 -3.795) 4.015 13.018 ( 9.273 0.000 3.469) 9.901 13.345 ( 12.941 0.000 -3.109) 13.309 13.362 ( 1.226 -0.000 6.790) 6.899 13.751 ( 0.709 0.000 -1.522) 1.679 13.829 ( 0.870 -0.000 0.745) 1.146 13.867 ( 1.580 -0.000 0.868) 1.803 13.998 ( 0.081 0.000 -4.326) 4.326 14.294 ( -5.063 0.000 -4.747) 6.940 14.436 ( -14.526 -0.000 4.048) 15.079 14.706 ( -4.919 -0.000 -1.829) 5.248 14.845 ( -8.500 -0.000 -1.475) 8.626 14.989 ( -1.691 0.000 -2.490) 3.010 15.016 ( -2.279 -0.000 3.647) 4.300 15.116 ( -4.222 -0.000 0.928) 4.323 15.156 ( 0.151 -0.000 2.298) 2.303 15.184 ( -8.433 -0.000 -0.720) 8.464 15.364 ( 7.251 0.000 -0.465) 7.266 15.642 ( 3.792 -0.000 2.016) 4.295 15.730 ( -18.368 -0.000 9.329) 20.602 15.817 ( -3.337 0.000 -4.247) 5.401 15.993 ( 3.484 0.000 -1.797) 3.920 16.138 ( -13.130 -0.000 6.631) 14.709 16.510 ( 3.498 -0.000 4.157) 5.433 16.531 ( 4.577 0.000 -2.515) 5.222 16.699 ( -0.654 0.000 -5.738) 5.775 16.755 ( -7.383 -0.000 2.189) 7.700 16.811 ( 0.438 0.000 0.095) 0.448 17.016 ( 4.406 0.000 0.353) 4.420 17.079 ( 1.679 0.000 -7.056) 7.253 17.160 ( 0.109 -0.000 7.394) 7.395 17.270 ( -0.034 0.000 -4.782) 4.782 17.558 ( 6.847 0.000 2.083) 7.157 17.786 ( 1.829 -0.000 3.434) 3.891 18.071 ( 0.961 0.000 -8.517) 8.571 18.240 ( 4.246 -0.000 5.368) 6.844 18.759 ( 40.143 0.000 -12.519) 42.050 19.163 ( 13.239 0.000 -3.245) 13.631 20.067 ( -2.860 -0.000 0.157) 2.864 21.149 ( -6.269 -0.000 7.105) 9.475 ======================= Grid point 64 (51/72) ======================= q-point: (-0.32 0.32 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 8.377 -17.746 0.000) 19.624 1.662 ( 4.921 -17.560 0.000) 18.236 1.865 ( 0.953 -2.291 0.000) 2.482 2.090 ( 2.257 2.591 -0.000) 3.436 2.159 ( 3.046 0.690 -0.000) 3.123 2.457 ( 12.637 -5.151 -0.000) 13.647 2.533 ( 2.606 5.815 -0.000) 6.372 2.676 ( -3.266 0.052 0.000) 3.266 2.759 ( -6.010 8.184 -0.000) 10.154 2.866 ( 0.739 -2.432 0.000) 2.542 3.096 ( 7.996 3.388 -0.000) 8.684 3.201 ( 5.995 -9.572 0.000) 11.294 3.272 ( -1.299 -1.490 0.000) 1.977 3.845 ( -5.497 -0.954 0.000) 5.580 4.253 ( -4.906 2.373 -0.000) 5.450 4.662 ( 0.756 -3.125 0.000) 3.215 4.915 ( 0.453 16.079 -0.000) 16.085 4.958 ( -7.681 -24.722 0.000) 25.888 5.158 ( 2.431 -3.037 0.000) 3.890 5.772 ( 3.433 16.357 -0.000) 16.714 6.056 ( -1.059 -10.597 0.000) 10.650 6.253 ( -0.491 -0.132 0.000) 0.508 6.553 ( -8.549 13.395 -0.000) 15.891 6.618 ( -5.266 4.434 -0.000) 6.884 6.763 ( 1.146 2.817 -0.000) 3.041 6.866 ( 0.252 10.295 -0.000) 10.298 6.931 ( 2.459 13.977 -0.000) 14.192 7.065 ( 9.654 -1.345 -0.000) 9.747 7.171 ( -12.823 -15.583 0.000) 20.181 7.232 ( -2.897 1.672 -0.000) 3.345 7.441 ( 0.398 -14.476 0.000) 14.482 7.489 ( 4.615 -3.747 0.000) 5.945 7.652 ( 10.750 -2.470 -0.000) 11.030 7.786 ( 15.321 0.239 -0.000) 15.322 8.044 ( 2.253 7.157 -0.000) 7.504 8.141 ( -4.842 2.650 -0.000) 5.520 8.444 ( 1.726 1.976 -0.000) 2.623 8.673 ( 0.693 -2.997 0.000) 3.076 8.826 ( -7.100 -13.038 0.000) 14.846 8.909 ( -4.992 6.879 -0.000) 8.499 9.142 ( 11.306 -6.150 0.000) 12.871 9.157 ( 4.112 9.418 -0.000) 10.276 9.567 ( 2.661 1.874 -0.000) 3.254 9.766 ( 7.118 -14.425 0.000) 16.086 9.824 ( -9.531 1.222 0.000) 9.609 9.939 ( -4.079 -1.779 0.000) 4.450 10.399 ( -1.452 -10.367 0.000) 10.468 10.405 ( 1.528 5.140 -0.000) 5.362 10.783 ( -13.673 9.085 -0.000) 16.416 11.105 ( -6.984 -10.533 0.000) 12.638 11.176 ( -5.599 2.136 0.000) 5.993 11.559 ( -6.310 2.566 0.000) 6.811 11.617 ( 13.738 3.093 -0.000) 14.082 11.810 ( -11.517 -1.341 0.000) 11.594 11.977 ( 4.757 6.387 -0.000) 7.964 12.160 ( -11.122 -3.900 0.000) 11.786 12.229 ( 1.662 0.777 -0.000) 1.835 12.531 ( -0.086 -1.171 0.000) 1.174 12.537 ( -13.713 3.596 0.000) 14.177 12.940 ( -2.050 -2.818 0.000) 3.485 12.971 ( 0.579 3.247 -0.000) 3.299 13.251 ( 7.798 6.468 -0.000) 10.131 13.355 ( 1.688 -5.635 0.000) 5.882 13.518 ( 1.518 -5.664 0.000) 5.864 13.674 ( 4.804 -0.160 -0.000) 4.806 13.932 ( 3.909 -0.456 -0.000) 3.935 14.367 ( -0.220 -4.951 0.000) 4.956 14.369 ( 4.981 -0.198 -0.000) 4.985 14.482 ( -14.269 4.497 0.000) 14.961 14.573 ( -2.809 10.624 -0.000) 10.989 14.709 ( -11.382 -4.607 0.000) 12.279 14.838 ( -0.782 3.140 -0.000) 3.236 14.977 ( -3.959 -1.407 0.000) 4.201 15.103 ( 1.510 0.587 -0.000) 1.620 15.204 ( -3.692 0.547 0.000) 3.732 15.283 ( 1.159 -0.169 -0.000) 1.171 15.294 ( 0.561 0.091 -0.000) 0.568 15.560 ( -0.487 -0.552 0.000) 0.736 15.713 ( -10.391 -7.732 0.000) 12.952 15.771 ( 4.293 1.876 -0.000) 4.685 15.897 ( 1.103 -0.330 -0.000) 1.152 16.045 ( -9.365 -8.977 0.000) 12.973 16.383 ( -2.714 2.036 -0.000) 3.393 16.530 ( -0.018 -1.137 0.000) 1.137 16.612 ( -3.049 0.899 0.000) 3.179 16.873 ( -6.183 5.777 -0.000) 8.462 16.953 ( 8.508 1.812 -0.000) 8.699 17.033 ( -4.974 -3.349 0.000) 5.997 17.058 ( 3.892 0.845 -0.000) 3.982 17.265 ( 1.773 -6.715 0.000) 6.945 17.346 ( 6.030 1.492 -0.000) 6.211 17.592 ( -0.236 4.656 -0.000) 4.662 18.077 ( 18.641 -6.177 -0.000) 19.638 18.217 ( 8.602 -0.866 -0.000) 8.646 18.653 ( 12.045 -6.918 0.000) 13.891 19.051 ( 0.904 4.507 -0.000) 4.596 19.212 ( 4.457 23.151 -0.000) 23.576 19.801 ( -5.211 9.308 -0.000) 10.667 20.618 ( -9.996 -15.440 0.000) 18.393 ======================= Grid point 67 (52/72) ======================= q-point: (-0.48 0.48 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 1.280 -3.552 0.000) 3.775 1.918 ( 1.027 -7.390 0.000) 7.461 2.096 ( 0.778 0.856 -0.000) 1.157 2.131 ( 3.701 2.512 -0.000) 4.473 2.191 ( 11.311 -4.442 -0.000) 12.152 2.499 ( 9.235 7.272 -0.000) 11.755 2.518 ( -5.211 5.270 -0.000) 7.411 2.706 ( 3.746 -3.791 0.000) 5.330 2.734 ( 2.771 -4.110 0.000) 4.957 2.889 ( 0.532 -0.283 0.000) 0.602 3.171 ( 1.714 0.414 -0.000) 1.763 3.208 ( -3.692 1.593 0.000) 4.021 3.458 ( 7.533 3.943 -0.000) 8.503 3.771 ( -6.727 -5.042 0.000) 8.407 4.072 ( -4.633 3.065 -0.000) 5.555 4.530 ( 0.862 10.859 -0.000) 10.893 4.850 ( 5.506 3.232 -0.000) 6.385 4.950 ( -13.009 1.426 0.000) 13.087 5.330 ( 1.877 -8.093 0.000) 8.307 5.772 ( 5.070 -4.652 0.000) 6.881 5.901 ( -10.336 7.393 -0.000) 12.708 6.286 ( 0.635 -3.483 0.000) 3.540 6.477 ( 6.138 -1.291 -0.000) 6.272 6.562 ( -1.270 0.308 0.000) 1.307 6.619 ( 1.058 13.098 -0.000) 13.140 6.642 ( -4.595 2.108 0.000) 5.055 6.762 ( 4.826 4.692 -0.000) 6.731 7.177 ( -3.466 -12.607 0.000) 13.074 7.245 ( -0.471 -4.050 0.000) 4.078 7.447 ( 2.969 -2.427 0.000) 3.834 7.573 ( -7.286 -5.535 0.000) 9.150 7.714 ( 0.743 -9.756 0.000) 9.784 7.906 ( 15.410 3.786 -0.000) 15.869 8.005 ( 13.666 1.383 -0.000) 13.735 8.037 ( -3.384 -1.803 0.000) 3.835 8.143 ( 8.589 -6.123 0.000) 10.548 8.420 ( -0.934 -0.643 0.000) 1.133 8.630 ( -6.313 1.979 0.000) 6.616 8.797 ( -3.696 -2.203 0.000) 4.303 8.967 ( -8.778 -13.874 0.000) 16.417 9.092 ( 11.882 8.798 -0.000) 14.785 9.474 ( 6.845 -5.779 0.000) 8.958 9.591 ( 1.991 -0.268 -0.000) 2.009 9.702 ( -3.472 -2.522 0.000) 4.291 9.842 ( -4.602 1.367 0.000) 4.801 10.103 ( 1.796 -7.516 0.000) 7.727 10.291 ( -3.276 5.919 -0.000) 6.765 10.322 ( -0.248 17.154 -0.000) 17.156 10.457 ( -2.343 3.070 -0.000) 3.862 10.877 ( -16.212 5.685 0.000) 17.180 11.031 ( -12.351 -1.702 0.000) 12.467 11.309 ( -2.028 5.925 -0.000) 6.263 11.599 ( -11.646 0.509 0.000) 11.657 11.833 ( -22.846 -2.763 0.000) 23.012 11.838 ( 11.448 -0.320 -0.000) 11.453 12.190 ( -4.982 -5.624 0.000) 7.513 12.208 ( 2.667 0.113 -0.000) 2.669 12.237 ( 3.607 4.627 -0.000) 5.867 12.504 ( -1.750 0.379 0.000) 1.790 12.858 ( -0.864 4.792 -0.000) 4.869 13.085 ( 3.252 -3.644 0.000) 4.884 13.353 ( 6.780 -0.969 -0.000) 6.849 13.506 ( 2.044 -4.980 0.000) 5.383 13.612 ( -2.041 -4.065 0.000) 4.549 13.784 ( 4.485 -0.798 -0.000) 4.556 13.969 ( 2.355 3.808 -0.000) 4.477 14.156 ( -11.633 0.017 0.000) 11.633 14.260 ( 0.029 7.983 -0.000) 7.983 14.451 ( 1.659 2.375 -0.000) 2.897 14.511 ( 1.232 -1.773 0.000) 2.159 14.604 ( -8.313 -7.981 0.000) 11.524 14.714 ( -6.774 -0.302 0.000) 6.781 14.916 ( -6.337 -2.360 0.000) 6.762 15.047 ( -1.210 5.322 -0.000) 5.458 15.122 ( -2.609 0.608 0.000) 2.679 15.264 ( -2.683 1.132 0.000) 2.912 15.333 ( 0.703 -0.631 0.000) 0.945 15.589 ( -9.381 -3.596 0.000) 10.047 15.653 ( 6.197 -1.111 -0.000) 6.296 15.719 ( -5.467 -1.034 0.000) 5.564 15.902 ( -0.058 1.220 -0.000) 1.221 16.102 ( -10.151 -4.743 0.000) 11.205 16.342 ( 2.979 -5.401 0.000) 6.168 16.543 ( -0.226 -0.882 0.000) 0.910 16.570 ( 3.305 2.112 -0.000) 3.923 16.726 ( -1.236 0.186 0.000) 1.249 16.895 ( -5.446 1.752 0.000) 5.721 17.053 ( 4.189 11.203 -0.000) 11.961 17.149 ( 7.026 2.070 -0.000) 7.324 17.375 ( -0.726 -2.250 0.000) 2.364 17.420 ( 2.984 -0.390 -0.000) 3.009 17.503 ( -2.550 -4.683 0.000) 5.332 18.272 ( 8.126 11.770 -0.000) 14.302 18.678 ( 5.315 4.687 -0.000) 7.087 18.747 ( 16.813 9.588 -0.000) 19.354 18.845 ( 7.346 15.241 -0.000) 16.919 19.151 ( 12.782 -8.289 0.000) 15.235 19.709 ( -5.408 -9.209 0.000) 10.680 20.740 ( -12.577 -17.505 0.000) 21.555 ======================= Grid point 72 (53/72) ======================= q-point: ( 0.37 -0.37 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -7.187 13.430 -0.000) 15.232 1.916 ( -8.146 -0.881 0.000) 8.194 2.134 ( -5.633 -2.403 0.000) 6.124 2.163 ( 5.846 -2.253 -0.000) 6.265 2.319 ( -4.261 -2.199 0.000) 4.795 2.449 ( 6.274 -1.162 -0.000) 6.381 2.529 ( 10.031 9.259 -0.000) 13.651 2.729 ( -3.665 -0.253 0.000) 3.674 2.887 ( -1.000 -4.278 0.000) 4.394 2.958 ( 3.340 -0.187 -0.000) 3.345 3.074 ( -0.711 3.947 -0.000) 4.010 3.161 ( 0.888 -3.599 0.000) 3.707 3.454 ( -0.984 2.590 -0.000) 2.770 3.770 ( -5.027 -4.983 0.000) 7.078 4.019 ( 3.775 1.173 -0.000) 3.953 4.372 ( 1.464 6.432 -0.000) 6.596 4.644 ( -8.642 5.696 -0.000) 10.351 4.849 ( 4.752 4.908 -0.000) 6.832 5.513 ( -0.520 -6.284 0.000) 6.306 5.724 ( -1.339 -1.656 0.000) 2.130 5.947 ( 2.201 -5.579 0.000) 5.998 6.282 ( -4.797 2.015 0.000) 5.203 6.311 ( 3.570 12.702 -0.000) 13.194 6.444 ( -3.152 3.784 -0.000) 4.925 6.671 ( 10.227 3.652 -0.000) 10.859 6.673 ( -0.274 -7.459 0.000) 7.464 6.875 ( 4.692 -3.803 0.000) 6.040 7.171 ( -9.717 4.915 -0.000) 10.889 7.374 ( 1.532 -7.140 0.000) 7.302 7.529 ( 6.357 -1.673 -0.000) 6.574 7.576 ( -4.216 -8.091 0.000) 9.124 7.772 ( -8.050 -2.570 0.000) 8.451 7.977 ( -12.691 3.140 0.000) 13.073 7.990 ( -2.039 -1.706 0.000) 2.659 8.224 ( 18.668 2.582 -0.000) 18.846 8.378 ( -4.059 -1.975 0.000) 4.514 8.518 ( 5.728 -5.078 0.000) 7.655 8.738 ( -0.902 -6.340 0.000) 6.404 8.852 ( 16.211 -12.798 0.000) 20.653 9.034 ( -13.463 -13.524 0.000) 19.083 9.223 ( 12.267 8.348 -0.000) 14.838 9.492 ( -10.201 -1.564 0.000) 10.320 9.531 ( -6.945 -1.254 0.000) 7.057 9.697 ( -11.229 3.097 0.000) 11.648 9.793 ( 7.022 6.402 -0.000) 9.502 10.005 ( -11.392 8.662 -0.000) 14.311 10.019 ( 1.287 6.392 -0.000) 6.521 10.212 ( -0.352 2.344 -0.000) 2.370 10.495 ( 22.893 3.853 -0.000) 23.215 10.526 ( 7.509 8.404 -0.000) 11.270 10.730 ( -20.583 1.319 0.000) 20.625 11.231 ( 3.430 3.681 -0.000) 5.032 11.342 ( -8.632 2.874 0.000) 9.098 11.533 ( -14.281 -7.081 0.000) 15.940 11.850 ( -12.077 7.062 -0.000) 13.990 12.091 ( 5.551 -6.291 0.000) 8.390 12.290 ( 3.666 0.609 -0.000) 3.716 12.467 ( -1.234 0.353 0.000) 1.284 12.543 ( 10.345 -5.215 0.000) 11.585 12.798 ( 2.738 2.504 -0.000) 3.710 13.082 ( -5.778 1.909 0.000) 6.085 13.543 ( -6.893 -2.780 0.000) 7.433 13.553 ( 5.039 -6.791 0.000) 8.456 13.659 ( -1.842 -2.380 0.000) 3.009 13.842 ( 1.145 1.653 -0.000) 2.011 13.930 ( 6.386 4.198 -0.000) 7.642 14.080 ( -0.476 -1.998 0.000) 2.054 14.230 ( 9.708 4.146 -0.000) 10.556 14.388 ( -1.792 0.875 -0.000) 1.994 14.531 ( -4.543 -1.205 0.000) 4.700 14.547 ( -12.627 -5.404 0.000) 13.735 14.693 ( 1.070 -0.223 -0.000) 1.093 14.822 ( -4.370 -0.941 0.000) 4.470 14.930 ( 0.924 4.278 -0.000) 4.377 15.039 ( -1.471 2.280 -0.000) 2.713 15.180 ( -3.460 -0.381 0.000) 3.480 15.335 ( -0.955 -0.828 0.000) 1.265 15.559 ( -3.243 -2.829 0.000) 4.304 15.623 ( -5.989 -3.056 0.000) 6.723 15.776 ( 3.634 0.255 -0.000) 3.643 15.885 ( 2.186 1.601 -0.000) 2.709 16.014 ( -0.706 -1.171 0.000) 1.367 16.506 ( 1.046 -1.567 0.000) 1.884 16.569 ( -0.942 -2.868 0.000) 3.019 16.621 ( -2.780 10.744 -0.000) 11.098 16.727 ( 1.158 1.880 -0.000) 2.208 16.751 ( 4.533 -10.806 0.000) 11.719 16.959 ( 0.647 1.417 -0.000) 1.557 17.250 ( 5.529 -0.441 -0.000) 5.547 17.344 ( -0.185 4.918 -0.000) 4.921 17.498 ( -0.938 -4.976 0.000) 5.064 17.523 ( -4.476 -1.540 0.000) 4.733 18.113 ( 6.977 15.052 -0.000) 16.590 18.160 ( -3.824 19.841 -0.000) 20.206 18.702 ( 1.064 6.648 -0.000) 6.733 19.210 ( 9.189 -3.181 -0.000) 9.724 19.559 ( 10.208 -6.840 0.000) 12.288 19.908 ( 4.366 -9.951 0.000) 10.866 20.842 ( -10.414 -13.072 0.000) 16.713 ======================= Grid point 74 (54/72) ======================= q-point: ( 0.54 0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 -5.732 25.055) 25.703 1.725 ( 0.000 -4.951 -2.060) 5.363 1.807 ( 0.000 4.478 13.033) 13.781 2.023 ( -0.000 4.194 0.021) 4.194 2.102 ( -0.000 -2.624 -5.540) 6.130 2.491 ( -0.000 7.057 -12.160) 14.059 2.532 ( 0.000 -4.288 -0.543) 4.323 2.640 ( -0.000 4.929 -0.104) 4.930 2.740 ( 0.000 -3.538 -3.309) 4.844 2.767 ( 0.000 3.048 11.128) 11.538 3.107 ( 0.000 -5.945 -0.806) 6.000 3.325 ( -0.000 -0.480 -1.076) 1.178 3.427 ( -0.000 -6.080 -11.500) 13.008 3.806 ( 0.000 1.568 10.208) 10.327 4.261 ( 0.000 -0.348 -0.111) 0.366 4.426 ( -0.000 20.409 -0.537) 20.416 4.736 ( -0.000 2.988 1.632) 3.405 5.317 ( -0.000 -2.463 -7.078) 7.494 5.381 ( -0.000 10.018 -6.321) 11.846 5.698 ( 0.000 -29.752 2.051) 29.823 6.169 ( -0.000 4.041 4.368) 5.950 6.260 ( 0.000 -5.174 5.646) 7.658 6.522 ( -0.000 16.302 -3.955) 16.775 6.530 ( 0.000 -2.578 -3.165) 4.082 6.655 ( -0.000 1.635 -4.869) 5.136 6.720 ( -0.000 5.122 -1.785) 5.424 6.750 ( -0.000 4.642 -7.264) 8.620 7.011 ( 0.000 -4.335 -0.790) 4.407 7.253 ( -0.000 1.824 1.868) 2.611 7.260 ( -0.000 1.739 0.229) 1.754 7.390 ( -0.000 3.578 -1.822) 4.015 7.550 ( 0.000 -12.024 7.417) 14.127 7.743 ( 0.000 -10.937 8.286) 13.721 7.970 ( 0.000 -15.379 5.747) 16.418 7.983 ( -0.000 0.456 -4.194) 4.218 8.217 ( 0.000 -4.512 -3.405) 5.653 8.399 ( -0.000 0.562 -0.319) 0.647 8.618 ( -0.000 1.405 0.891) 1.664 8.636 ( -0.000 15.315 0.374) 15.319 8.924 ( 0.000 -3.622 3.710) 5.185 9.180 ( -0.000 -0.413 -6.892) 6.905 9.341 ( 0.000 -12.123 -4.737) 13.015 9.444 ( 0.000 2.039 6.890) 7.186 9.906 ( 0.000 -2.659 8.503) 8.909 9.928 ( 0.000 -2.824 0.090) 2.825 9.995 ( 0.000 -7.816 -1.175) 7.904 10.375 ( -0.000 9.015 -5.848) 10.746 10.613 ( 0.000 -2.279 5.791) 6.223 10.842 ( -0.000 4.824 -4.994) 6.943 11.139 ( -0.000 3.282 -1.017) 3.436 11.289 ( -0.000 3.804 -0.615) 3.853 11.330 ( 0.000 -4.461 1.545) 4.721 11.575 ( -0.000 16.239 -5.461) 17.133 11.694 ( 0.000 -2.195 5.369) 5.800 11.898 ( -0.000 2.301 -0.150) 2.306 12.310 ( 0.000 -6.646 0.798) 6.694 12.355 ( 0.000 -3.315 1.029) 3.471 12.520 ( 0.000 0.166 3.076) 3.080 12.825 ( -0.000 -0.583 -4.388) 4.426 12.860 ( -0.000 2.303 -1.510) 2.754 12.919 ( -0.000 2.034 1.892) 2.778 13.015 ( -0.000 3.876 -3.852) 5.465 13.363 ( 0.000 -0.656 -0.377) 0.756 13.707 ( 0.000 -7.484 2.247) 7.814 13.732 ( -0.000 -2.744 -6.482) 7.039 13.912 ( 0.000 0.117 0.374) 0.392 14.240 ( 0.000 -2.661 7.755) 8.199 14.331 ( -0.000 9.405 -0.123) 9.406 14.476 ( -0.000 1.114 -0.958) 1.469 14.671 ( -0.000 0.939 -0.722) 1.184 14.722 ( -0.000 -0.549 -4.549) 4.582 14.945 ( 0.000 -5.197 3.790) 6.432 15.057 ( 0.000 -1.051 0.633) 1.227 15.127 ( 0.000 -3.412 -2.836) 4.437 15.237 ( -0.000 0.584 -0.081) 0.589 15.251 ( -0.000 1.470 1.207) 1.902 15.271 ( 0.000 -0.960 -0.348) 1.021 15.583 ( 0.000 -0.392 3.394) 3.417 15.649 ( -0.000 0.675 0.803) 1.049 15.832 ( -0.000 0.967 -1.649) 1.911 16.148 ( 0.000 -12.190 1.052) 12.235 16.184 ( 0.000 -1.187 1.118) 1.631 16.337 ( -0.000 1.392 1.848) 2.313 16.526 ( -0.000 0.860 0.483) 0.986 16.725 ( 0.000 -1.752 0.357) 1.788 16.735 ( -0.000 5.705 -0.868) 5.771 16.913 ( -0.000 1.295 -1.896) 2.296 17.011 ( -0.000 4.796 -0.849) 4.870 17.060 ( 0.000 0.681 2.352) 2.449 17.207 ( -0.000 0.960 -4.226) 4.334 17.323 ( 0.000 -4.293 4.402) 6.149 17.661 ( -0.000 -1.273 -2.298) 2.627 17.943 ( 0.000 -4.962 1.523) 5.191 18.232 ( 0.000 -4.633 2.767) 5.396 18.432 ( -0.000 20.288 -5.871) 21.120 18.758 ( -0.000 22.127 -2.305) 22.247 18.913 ( -0.000 1.580 -5.172) 5.408 19.863 ( 0.000 -5.996 -1.453) 6.169 20.936 ( 0.000 -15.643 9.062) 18.079 ======================= Grid point 75 (55/72) ======================= q-point: ( 0.21 -0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -18.406 -0.000 0.000) 18.406 1.658 ( -17.760 -0.000 0.000) 17.760 1.981 ( -11.447 -0.000 0.000) 11.447 2.252 ( -0.265 -0.000 0.000) 0.265 2.281 ( -3.187 -0.000 0.000) 3.187 2.526 ( -4.001 -0.000 0.000) 4.001 2.600 ( 8.578 0.000 -0.000) 8.578 2.714 ( 1.126 0.000 -0.000) 1.126 2.759 ( -8.979 -0.000 0.000) 8.979 2.819 ( -12.884 -0.000 0.000) 12.884 3.055 ( -7.168 -0.000 0.000) 7.168 3.379 ( 5.502 0.000 -0.000) 5.502 3.404 ( 9.751 0.000 -0.000) 9.751 3.759 ( -2.553 -0.000 0.000) 2.553 4.123 ( 6.169 0.000 -0.000) 6.169 4.307 ( -1.043 -0.000 0.000) 1.043 4.424 ( -7.828 -0.000 0.000) 7.828 4.916 ( 8.560 0.000 -0.000) 8.560 5.522 ( -4.302 -0.000 0.000) 4.302 5.835 ( 7.250 0.000 -0.000) 7.250 6.089 ( -9.675 -0.000 0.000) 9.675 6.105 ( 7.775 0.000 -0.000) 7.775 6.268 ( 7.336 0.000 -0.000) 7.336 6.415 ( 5.213 0.000 -0.000) 5.213 6.754 ( -1.897 -0.000 0.000) 1.897 6.842 ( 11.925 0.000 -0.000) 11.925 6.944 ( -6.846 -0.000 0.000) 6.846 6.996 ( 2.342 0.000 -0.000) 2.342 7.401 ( -9.930 -0.000 0.000) 9.930 7.547 ( 2.257 0.000 -0.000) 2.257 7.597 ( -7.134 -0.000 0.000) 7.134 7.611 ( -15.446 -0.000 0.000) 15.446 7.752 ( 1.595 0.000 -0.000) 1.595 7.967 ( -0.323 -0.000 0.000) 0.323 8.493 ( 12.187 0.000 -0.000) 12.187 8.497 ( 5.732 0.000 -0.000) 5.732 8.687 ( -5.929 -0.000 0.000) 5.929 8.747 ( 7.707 0.000 -0.000) 7.707 9.005 ( -17.198 -0.000 0.000) 17.198 9.014 ( -9.656 -0.000 0.000) 9.656 9.291 ( -9.418 -0.000 0.000) 9.418 9.295 ( -9.864 -0.000 0.000) 9.864 9.327 ( -3.959 -0.000 0.000) 3.959 9.685 ( 18.045 0.000 -0.000) 18.045 9.693 ( -10.755 -0.000 0.000) 10.755 9.738 ( 11.294 0.000 -0.000) 11.294 10.018 ( 3.025 0.000 -0.000) 3.025 10.188 ( -22.842 -0.000 0.000) 22.842 10.236 ( 9.533 0.000 -0.000) 9.533 10.871 ( 0.843 0.000 -0.000) 0.843 10.898 ( 26.377 0.000 -0.000) 26.377 11.200 ( -1.837 -0.000 0.000) 1.837 11.321 ( 16.380 0.000 -0.000) 16.380 11.538 ( 2.924 0.000 -0.000) 2.924 11.565 ( -2.569 -0.000 0.000) 2.569 12.197 ( -4.060 -0.000 0.000) 4.060 12.316 ( 0.818 0.000 -0.000) 0.818 12.459 ( 1.456 0.000 -0.000) 1.456 12.801 ( 7.828 0.000 -0.000) 7.828 12.826 ( 3.364 0.000 -0.000) 3.364 12.863 ( -11.471 -0.000 0.000) 11.471 13.413 ( -8.570 -0.000 0.000) 8.570 13.612 ( -4.552 -0.000 0.000) 4.552 13.754 ( 2.798 0.000 -0.000) 2.798 13.782 ( -1.124 -0.000 0.000) 1.124 13.989 ( 4.198 0.000 -0.000) 4.198 14.151 ( 5.156 0.000 -0.000) 5.156 14.323 ( -14.745 -0.000 0.000) 14.745 14.356 ( -11.234 -0.000 0.000) 11.234 14.424 ( 6.682 0.000 -0.000) 6.682 14.432 ( 14.072 0.000 -0.000) 14.072 14.766 ( 5.384 0.000 -0.000) 5.384 14.857 ( 4.349 0.000 -0.000) 4.349 14.932 ( 4.094 0.000 -0.000) 4.094 14.997 ( -0.164 -0.000 0.000) 0.164 15.170 ( 2.374 0.000 -0.000) 2.374 15.306 ( -3.415 -0.000 0.000) 3.415 15.534 ( -2.058 -0.000 0.000) 2.058 15.624 ( -1.378 -0.000 0.000) 1.378 15.799 ( 0.294 0.000 -0.000) 0.294 15.920 ( 2.420 0.000 -0.000) 2.420 16.085 ( 0.821 0.000 -0.000) 0.821 16.394 ( 2.587 0.000 -0.000) 2.587 16.580 ( -3.618 -0.000 0.000) 3.618 16.611 ( 3.089 0.000 -0.000) 3.089 16.721 ( 3.752 0.000 -0.000) 3.752 16.927 ( -4.220 -0.000 0.000) 4.220 17.091 ( -3.994 -0.000 0.000) 3.994 17.122 ( 5.227 0.000 -0.000) 5.227 17.348 ( 2.352 0.000 -0.000) 2.352 17.454 ( -3.662 -0.000 0.000) 3.662 17.536 ( -4.374 -0.000 0.000) 4.374 17.845 ( -3.143 -0.000 0.000) 3.143 18.017 ( 2.518 0.000 -0.000) 2.518 18.599 ( -4.044 -0.000 0.000) 4.044 19.269 ( -3.736 -0.000 0.000) 3.736 19.805 ( 7.360 0.000 -0.000) 7.360 20.176 ( 9.394 0.000 -0.000) 9.394 20.826 ( -7.174 -0.000 0.000) 7.174 ======================= Grid point 76 (56/72) ======================= q-point: (-0.29 -0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -5.607 0.000 0.000) 5.607 2.075 ( -0.800 0.000 -0.000) 0.800 2.123 ( -3.763 0.000 0.000) 3.763 2.187 ( -3.025 -0.000 -0.000) 3.025 2.267 ( -3.867 0.000 0.000) 3.867 2.466 ( 3.663 0.000 0.000) 3.663 2.538 ( 0.910 0.000 0.000) 0.910 2.596 ( 1.719 0.000 0.000) 1.719 2.834 ( -10.593 0.000 0.000) 10.593 3.016 ( 0.364 0.000 0.000) 0.364 3.294 ( -3.604 0.000 0.000) 3.604 3.376 ( 1.289 0.000 0.000) 1.289 3.383 ( 8.432 -0.000 0.000) 8.432 3.687 ( -4.649 0.000 -0.000) 4.649 3.952 ( 2.967 0.000 -0.000) 2.967 4.656 ( 1.876 0.000 -0.000) 1.876 4.730 ( 2.137 0.000 0.000) 2.137 5.199 ( -3.411 0.000 0.000) 3.411 5.320 ( -1.002 0.000 -0.000) 1.002 5.754 ( 4.355 0.000 0.000) 4.355 6.018 ( -3.827 0.000 0.000) 3.827 6.093 ( 2.751 0.000 -0.000) 2.751 6.270 ( 3.539 0.000 0.000) 3.539 6.435 ( -2.273 0.000 0.000) 2.273 6.687 ( 2.021 0.000 0.000) 2.021 6.747 ( 2.765 0.000 -0.000) 2.765 6.984 ( -0.362 0.000 0.000) 0.362 7.136 ( -4.064 0.000 0.000) 4.064 7.238 ( -0.856 0.000 0.000) 0.856 7.266 ( 3.999 0.000 -0.000) 3.999 7.522 ( -2.464 0.000 -0.000) 2.464 7.784 ( -1.060 0.000 0.000) 1.060 7.875 ( -16.058 0.000 0.000) 16.058 8.019 ( 1.675 0.000 0.000) 1.675 8.114 ( 0.954 0.000 0.000) 0.954 8.195 ( 7.735 0.000 0.000) 7.735 8.419 ( -4.062 0.000 0.000) 4.062 8.570 ( 0.150 0.000 0.000) 0.150 8.754 ( 10.165 0.000 0.000) 10.165 9.119 ( -9.851 0.000 -0.000) 9.851 9.210 ( 4.515 0.000 0.000) 4.515 9.307 ( -18.539 0.000 0.000) 18.539 9.570 ( 3.328 0.000 0.000) 3.328 9.687 ( 3.155 0.000 0.000) 3.155 9.725 ( 7.356 0.000 0.000) 7.356 10.109 ( -4.176 0.000 0.000) 4.176 10.263 ( 1.792 0.000 -0.000) 1.792 10.268 ( 11.366 0.000 0.000) 11.366 10.752 ( -13.341 -0.000 -0.000) 13.341 10.753 ( 1.149 0.000 0.000) 1.149 11.028 ( -2.731 0.000 0.000) 2.731 11.153 ( 5.431 0.000 0.000) 5.431 11.366 ( 22.191 0.000 0.000) 22.191 11.471 ( 2.329 0.000 -0.000) 2.329 12.027 ( 3.883 0.000 0.000) 3.883 12.041 ( -1.248 -0.000 -0.000) 1.248 12.171 ( -3.577 0.000 0.000) 3.577 12.445 ( 0.232 -0.000 0.000) 0.232 12.459 ( 0.594 0.000 -0.000) 0.594 12.860 ( 2.054 0.000 0.000) 2.054 13.057 ( -3.033 0.000 -0.000) 3.033 13.347 ( -0.195 0.000 0.000) 0.195 13.563 ( -3.224 0.000 0.000) 3.224 13.705 ( -7.418 0.000 0.000) 7.418 13.801 ( 0.983 0.000 0.000) 0.983 14.053 ( -3.096 0.000 -0.000) 3.096 14.122 ( 8.655 0.000 0.000) 8.655 14.188 ( 6.076 0.000 -0.000) 6.076 14.231 ( 7.998 0.000 0.000) 7.998 14.433 ( -1.428 0.000 0.000) 1.428 14.465 ( -3.858 0.000 0.000) 3.858 14.727 ( -1.475 0.000 0.000) 1.475 14.921 ( 2.854 0.000 0.000) 2.854 15.085 ( 2.862 0.000 0.000) 2.862 15.129 ( -1.826 0.000 -0.000) 1.826 15.243 ( 2.043 0.000 0.000) 2.043 15.314 ( 0.393 0.000 0.000) 0.393 15.377 ( 2.561 -0.000 0.000) 2.561 15.558 ( 7.240 0.000 0.000) 7.240 15.744 ( -5.609 0.000 0.000) 5.609 15.916 ( -0.685 0.000 0.000) 0.685 16.122 ( 3.315 -0.000 0.000) 3.315 16.132 ( -4.112 0.000 0.000) 4.112 16.506 ( 0.963 0.000 0.000) 0.963 16.660 ( -3.331 0.000 0.000) 3.331 16.768 ( 1.343 0.000 -0.000) 1.343 16.775 ( 5.285 0.000 0.000) 5.285 17.136 ( -1.365 0.000 0.000) 1.365 17.183 ( -2.016 -0.000 0.000) 2.016 17.411 ( -1.933 0.000 0.000) 1.933 17.459 ( -2.674 0.000 -0.000) 2.674 17.610 ( 2.443 0.000 0.000) 2.443 18.472 ( -4.527 0.000 0.000) 4.527 18.863 ( -4.386 0.000 -0.000) 4.386 19.152 ( -6.536 0.000 -0.000) 6.536 19.249 ( -11.083 -0.000 -0.000) 11.083 19.361 ( -3.413 0.000 0.000) 3.413 19.519 ( 11.586 -0.000 0.000) 11.586 19.991 ( 7.802 0.000 -0.000) 7.802 ======================= Grid point 78 (57/72) ======================= q-point: ( 0.39 0.36 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 5.421 4.363 20.815) 21.948 1.741 ( 3.942 3.502 14.018) 14.977 1.918 ( 9.794 -0.902 -0.454) 9.846 1.984 ( 6.838 2.841 3.381) 8.140 2.219 ( -2.336 -4.903 -6.125) 8.186 2.366 ( 0.494 6.869 -8.329) 10.808 2.483 ( -1.985 1.906 5.396) 6.057 2.572 ( -0.833 0.972 4.468) 4.648 2.838 ( 7.813 -0.906 14.132) 16.173 2.928 ( 2.302 -8.554 -7.493) 11.602 3.154 ( -1.367 1.006 1.444) 2.229 3.346 ( -1.057 -3.332 -2.821) 4.492 3.487 ( -3.790 -3.059 -11.518) 12.506 3.780 ( -0.490 -0.286 11.024) 11.039 4.031 ( -0.328 12.525 -3.878) 13.116 4.291 ( 1.046 1.162 -1.723) 2.326 4.612 ( -1.459 5.992 7.953) 10.064 5.129 ( -0.995 7.793 -15.221) 17.129 5.479 ( 1.703 -5.801 -7.812) 9.878 5.951 ( -5.884 3.031 2.221) 6.981 6.139 ( -3.125 -5.802 2.297) 6.979 6.202 ( -8.416 1.433 -3.433) 9.202 6.354 ( -2.695 -2.532 3.025) 4.778 6.509 ( -1.014 0.604 -3.525) 3.717 6.626 ( -2.621 -2.070 0.000) 3.340 6.674 ( 0.310 -0.181 0.369) 0.515 6.802 ( 1.822 -5.447 -6.772) 8.880 7.212 ( 6.494 -1.701 -0.248) 6.717 7.275 ( 4.243 -0.986 0.010) 4.356 7.343 ( 11.801 2.181 1.503) 12.095 7.427 ( 11.273 1.856 -1.108) 11.478 7.649 ( 0.451 8.603 0.573) 8.634 7.815 ( -4.215 -3.104 3.221) 6.146 8.076 ( -3.404 -10.403 5.841) 12.406 8.195 ( -4.906 -3.390 -2.673) 6.535 8.279 ( 9.150 -10.462 1.688) 14.001 8.396 ( -0.358 0.100 1.501) 1.546 8.573 ( 9.996 -1.903 -0.722) 10.201 8.796 ( 0.185 -4.893 -0.823) 4.965 8.943 ( -0.818 -1.775 1.588) 2.518 9.293 ( 9.003 -3.457 -0.384) 9.651 9.375 ( 2.756 0.413 5.158) 5.863 9.572 ( 1.377 -5.206 -4.447) 6.983 9.802 ( -13.505 8.194 3.536) 16.188 9.908 ( -7.094 -1.001 1.187) 7.262 10.045 ( -7.211 8.825 2.122) 11.592 10.151 ( 1.441 -3.686 2.007) 4.438 10.397 ( -7.898 5.413 -5.415) 11.000 10.665 ( -17.482 -0.219 2.357) 17.641 11.021 ( -10.030 3.682 2.673) 11.014 11.147 ( -2.788 7.643 -1.163) 8.219 11.331 ( -5.323 -1.257 -0.374) 5.482 11.474 ( 12.068 2.879 -6.365) 13.944 11.732 ( 3.407 0.051 7.877) 8.582 12.001 ( 8.041 -1.514 -1.476) 8.315 12.252 ( -11.087 -1.105 -1.332) 11.222 12.345 ( -7.427 -3.047 0.791) 8.067 12.453 ( -0.370 1.931 4.291) 4.720 12.519 ( -18.948 1.814 -6.651) 20.164 12.809 ( -0.587 3.153 -4.072) 5.183 13.051 ( 9.340 -2.544 2.804) 10.078 13.228 ( 12.686 -2.695 -3.371) 13.400 13.441 ( 3.378 -2.313 2.512) 4.803 13.737 ( 0.092 -0.911 -0.125) 0.924 13.819 ( -0.311 -2.835 -1.388) 3.172 13.894 ( -0.900 1.776 0.862) 2.170 14.043 ( 1.109 10.234 -1.798) 10.450 14.298 ( -4.640 4.545 -0.098) 6.496 14.436 ( -7.534 -4.061 2.590) 8.942 14.585 ( -2.962 -2.047 -3.940) 5.337 14.804 ( -0.533 -1.855 -1.448) 2.413 14.940 ( -7.485 -5.775 3.925) 10.237 15.060 ( -3.205 0.063 0.491) 3.243 15.094 ( -5.535 -2.180 -1.793) 6.213 15.205 ( -2.177 1.414 1.170) 2.847 15.260 ( -0.534 1.596 1.446) 2.219 15.303 ( 2.613 -1.999 -1.189) 3.498 15.625 ( -2.456 -7.453 4.160) 8.882 15.686 ( 2.880 1.585 -1.535) 3.628 15.822 ( -1.037 -1.947 -2.981) 3.709 16.007 ( -17.212 1.537 3.381) 17.608 16.224 ( -7.086 4.730 -0.186) 8.522 16.420 ( 6.674 -6.968 1.528) 9.769 16.551 ( -0.805 -4.110 2.994) 5.149 16.580 ( -0.752 0.321 -2.916) 3.028 16.748 ( -1.230 1.020 -0.504) 1.676 16.846 ( 2.606 0.179 0.001) 2.613 17.014 ( 2.182 2.720 -2.120) 4.081 17.035 ( -9.666 1.035 -2.103) 9.946 17.182 ( 6.722 -0.647 6.248) 9.200 17.442 ( 3.332 -0.160 3.762) 5.028 17.709 ( 1.001 -2.327 -4.933) 5.545 17.831 ( 1.613 20.135 -2.999) 20.421 18.170 ( 8.167 15.711 -3.042) 17.967 18.361 ( 6.230 4.475 5.204) 9.269 18.571 ( 21.764 -0.852 -5.925) 22.572 19.073 ( 11.267 -4.233 -2.394) 12.272 19.986 ( -3.228 -6.935 -0.536) 7.668 21.155 ( -6.407 -10.876 6.428) 14.165 ======================= Grid point 83 (58/72) ======================= q-point: ( 0.23 0.52 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.819 -0.000 13.995) 14.019 1.898 ( 12.496 -0.000 14.393) 19.060 2.044 ( 7.201 -0.000 5.453) 9.033 2.153 ( -6.141 0.000 -4.707) 7.738 2.238 ( 0.320 0.000 -4.499) 4.511 2.245 ( 13.136 0.000 -3.234) 13.528 2.504 ( -1.430 -0.000 -0.591) 1.547 2.564 ( 6.326 -0.000 9.274) 11.226 2.926 ( -10.947 -0.000 0.507) 10.959 2.974 ( 3.466 -0.000 7.284) 8.067 3.184 ( 4.040 0.000 -7.782) 8.768 3.374 ( -6.607 0.000 -6.441) 9.227 3.447 ( 1.300 0.000 -4.246) 4.440 3.782 ( -0.506 -0.000 8.998) 9.012 3.935 ( 4.833 0.000 -5.826) 7.570 4.289 ( 0.338 0.000 -1.155) 1.203 4.492 ( -3.071 -0.000 9.344) 9.836 5.022 ( -0.235 0.000 -18.099) 18.101 5.597 ( 2.138 0.000 -5.605) 5.999 5.903 ( -5.846 0.000 -5.055) 7.728 5.928 ( -1.129 -0.000 13.135) 13.183 6.131 ( -10.460 -0.000 0.867) 10.496 6.273 ( -0.302 0.000 -1.258) 1.293 6.496 ( 1.253 0.000 -2.021) 2.378 6.589 ( -2.585 0.000 -3.316) 4.205 6.668 ( -3.244 -0.000 8.077) 8.704 7.000 ( 6.139 0.000 -10.996) 12.594 7.226 ( -6.643 -0.000 3.539) 7.527 7.383 ( 4.758 0.000 -1.890) 5.119 7.448 ( 7.864 0.000 -3.498) 8.607 7.537 ( 3.479 -0.000 8.274) 8.975 7.839 ( 14.294 -0.000 8.000) 16.381 7.860 ( 13.897 0.000 -8.620) 16.353 8.085 ( -12.107 -0.000 1.766) 12.235 8.107 ( -2.973 -0.000 0.023) 2.973 8.426 ( 4.615 0.000 0.317) 4.626 8.594 ( -13.236 -0.000 -1.985) 13.384 8.746 ( 21.052 0.000 1.065) 21.079 8.874 ( 0.496 0.000 -0.407) 0.641 9.076 ( -14.072 -0.000 2.518) 14.295 9.223 ( 12.297 0.000 3.134) 12.690 9.548 ( -1.372 -0.000 11.332) 11.415 9.594 ( 7.693 0.000 3.206) 8.334 9.684 ( -13.133 -0.000 -2.878) 13.444 9.727 ( 10.005 0.000 -0.969) 10.052 9.847 ( -1.712 0.000 -1.108) 2.040 10.127 ( -5.561 -0.000 -2.716) 6.189 10.174 ( -20.413 -0.000 3.619) 20.731 10.237 ( -0.349 0.000 -7.292) 7.300 10.669 ( -19.239 -0.000 3.718) 19.595 11.112 ( 3.309 0.000 0.645) 3.371 11.157 ( -14.360 -0.000 -2.173) 14.524 11.503 ( -6.328 0.000 -3.176) 7.080 11.798 ( -3.966 -0.000 7.944) 8.879 12.017 ( -11.766 -0.000 1.773) 11.899 12.128 ( 0.953 0.000 0.223) 0.979 12.176 ( -4.548 0.000 -9.296) 10.349 12.411 ( 10.487 0.000 -2.379) 10.753 12.440 ( 0.277 -0.000 3.263) 3.275 12.766 ( -0.031 0.000 -3.283) 3.283 13.169 ( -2.881 -0.000 3.068) 4.209 13.516 ( 10.619 0.000 -2.820) 10.987 13.573 ( 8.481 -0.000 5.212) 9.955 13.715 ( -4.622 -0.000 0.430) 4.642 13.814 ( -3.166 -0.000 -0.906) 3.293 13.881 ( 0.122 0.000 -6.017) 6.018 13.967 ( 6.268 0.000 2.128) 6.620 14.149 ( -4.071 -0.000 -0.232) 4.078 14.350 ( -1.380 -0.000 2.134) 2.541 14.573 ( -2.043 0.000 -1.391) 2.472 14.740 ( -6.065 -0.000 3.133) 6.826 14.891 ( -12.923 -0.000 1.855) 13.056 14.929 ( -2.456 -0.000 -0.547) 2.516 14.984 ( -10.861 -0.000 0.926) 10.900 15.068 ( -1.148 0.000 -1.816) 2.149 15.275 ( 3.061 -0.000 3.750) 4.841 15.411 ( -3.992 0.000 -3.585) 5.366 15.652 ( -3.562 -0.000 3.639) 5.092 15.690 ( -1.381 0.000 -2.908) 3.219 15.776 ( 3.738 -0.000 2.701) 4.612 15.800 ( -10.186 -0.000 -4.444) 11.113 16.003 ( 2.548 0.000 -2.142) 3.329 16.539 ( 3.137 0.000 -4.583) 5.554 16.603 ( -8.602 -0.000 3.016) 9.115 16.618 ( 1.631 0.000 -2.557) 3.033 16.741 ( -4.632 -0.000 1.438) 4.850 16.865 ( 2.796 0.000 -1.152) 3.024 16.876 ( 3.012 -0.000 2.156) 3.704 17.145 ( 6.361 0.000 -1.058) 6.448 17.246 ( -2.860 -0.000 3.604) 4.601 17.377 ( 3.210 -0.000 7.087) 7.780 17.723 ( 0.992 -0.000 1.970) 2.205 17.870 ( 1.158 -0.000 1.606) 1.980 17.913 ( 5.960 0.000 -11.830) 13.247 18.469 ( 4.133 -0.000 8.964) 9.871 19.083 ( 21.267 0.000 -11.655) 24.251 19.413 ( 15.703 0.000 -2.649) 15.925 19.998 ( -2.886 -0.000 -0.049) 2.886 21.121 ( -8.921 -0.000 4.760) 10.111 ======================= Grid point 88 (59/72) ======================= q-point: ( 0.25 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 -0.000 25.220) 25.220 1.219 ( 0.000 -0.000 27.507) 27.507 1.738 ( 0.000 -0.000 9.060) 9.060 1.858 ( -0.000 0.000 -3.437) 3.437 1.933 ( 0.000 -0.000 43.195) 43.195 2.338 ( 0.000 -0.000 0.381) 0.381 2.394 ( 0.000 -0.000 10.125) 10.125 2.564 ( -0.000 0.000 -14.197) 14.197 2.601 ( -0.000 0.000 -5.252) 5.252 3.098 ( 0.000 -0.000 5.543) 5.543 3.160 ( -0.000 0.000 -8.315) 8.315 3.531 ( -0.000 0.000 -4.170) 4.170 3.555 ( 0.000 -0.000 9.595) 9.595 3.769 ( -0.000 0.000 -6.401) 6.401 3.918 ( -0.000 0.000 -4.571) 4.571 4.351 ( -0.000 0.000 -0.857) 0.857 4.438 ( 0.000 -0.000 5.219) 5.219 5.330 ( -0.000 0.000 -13.414) 13.414 5.815 ( 0.000 -0.000 7.829) 7.829 5.828 ( -0.000 0.000 -17.077) 17.077 6.152 ( -0.000 0.000 -5.604) 5.604 6.485 ( -0.000 0.000 -8.336) 8.336 6.547 ( -0.000 0.000 -2.268) 2.268 6.615 ( 0.000 -0.000 0.243) 0.243 6.669 ( 0.000 -0.000 8.700) 8.700 6.749 ( -0.000 0.000 -5.851) 5.851 6.917 ( 0.000 -0.000 2.816) 2.816 7.004 ( -0.000 0.000 -7.853) 7.853 7.189 ( -0.000 0.000 -2.848) 2.848 7.320 ( -0.000 0.000 -2.009) 2.009 7.349 ( -0.000 0.000 -5.772) 5.772 7.631 ( 0.000 -0.000 2.144) 2.144 7.734 ( 0.000 -0.000 10.232) 10.232 8.001 ( 0.000 -0.000 3.681) 3.681 8.239 ( 0.000 -0.000 10.755) 10.755 8.247 ( 0.000 -0.000 1.238) 1.238 8.356 ( -0.000 0.000 -7.539) 7.539 8.609 ( 0.000 -0.000 5.376) 5.376 8.665 ( 0.000 -0.000 1.895) 1.895 9.154 ( -0.000 0.000 -1.518) 1.518 9.203 ( 0.000 -0.000 0.603) 0.603 9.263 ( -0.000 0.000 -4.167) 4.167 9.813 ( 0.000 -0.000 7.441) 7.441 9.817 ( -0.000 0.000 -11.067) 11.067 9.946 ( 0.000 -0.000 6.705) 6.705 10.056 ( 0.000 -0.000 8.749) 8.749 10.102 ( -0.000 0.000 -3.524) 3.524 10.319 ( -0.000 0.000 -3.855) 3.855 10.799 ( 0.000 -0.000 7.905) 7.905 11.006 ( 0.000 -0.000 7.667) 7.667 11.306 ( -0.000 0.000 -8.640) 8.640 11.370 ( 0.000 -0.000 2.482) 2.482 11.470 ( -0.000 0.000 -13.464) 13.464 11.550 ( 0.000 -0.000 3.597) 3.597 11.913 ( -0.000 0.000 -1.445) 1.445 12.335 ( 0.000 -0.000 3.353) 3.353 12.337 ( 0.000 -0.000 6.499) 6.499 12.539 ( -0.000 0.000 -2.301) 2.301 12.853 ( 0.000 -0.000 1.530) 1.530 12.861 ( -0.000 0.000 -3.816) 3.816 12.967 ( -0.000 0.000 -6.522) 6.522 13.106 ( -0.000 0.000 -3.953) 3.953 13.357 ( 0.000 -0.000 7.243) 7.243 13.734 ( -0.000 0.000 -1.785) 1.785 13.813 ( -0.000 0.000 -0.341) 0.341 13.859 ( 0.000 -0.000 2.152) 2.152 13.998 ( -0.000 0.000 -2.997) 2.997 14.348 ( -0.000 0.000 -5.426) 5.426 14.674 ( -0.000 0.000 -0.740) 0.740 14.725 ( -0.000 0.000 -3.805) 3.805 14.928 ( -0.000 0.000 -7.137) 7.137 15.024 ( 0.000 -0.000 3.113) 3.113 15.027 ( -0.000 0.000 -1.151) 1.151 15.117 ( 0.000 -0.000 2.465) 2.465 15.214 ( 0.000 -0.000 1.073) 1.073 15.232 ( -0.000 0.000 -0.318) 0.318 15.307 ( -0.000 0.000 -0.665) 0.665 15.595 ( 0.000 -0.000 0.928) 0.928 15.892 ( -0.000 0.000 -3.047) 3.047 15.920 ( -0.000 0.000 -1.493) 1.493 16.155 ( 0.000 -0.000 2.645) 2.645 16.282 ( 0.000 -0.000 18.047) 18.047 16.479 ( 0.000 -0.000 0.013) 0.013 16.481 ( -0.000 0.000 -1.935) 1.935 16.706 ( -0.000 0.000 -6.339) 6.339 16.808 ( -0.000 0.000 -0.818) 0.818 16.810 ( -0.000 0.000 -3.059) 3.059 16.904 ( -0.000 0.000 -1.196) 1.196 17.007 ( -0.000 0.000 -3.748) 3.748 17.158 ( 0.000 -0.000 8.209) 8.209 17.349 ( -0.000 0.000 -8.621) 8.621 17.451 ( 0.000 -0.000 2.061) 2.061 17.766 ( 0.000 -0.000 3.834) 3.834 18.023 ( -0.000 0.000 -5.910) 5.910 18.128 ( 0.000 -0.000 3.936) 3.936 18.240 ( 0.000 -0.000 6.923) 6.923 19.039 ( -0.000 0.000 -1.960) 1.960 20.097 ( 0.000 -0.000 0.319) 0.319 21.216 ( 0.000 -0.000 6.395) 6.395 ======================= Grid point 89 (60/72) ======================= q-point: (-0.25 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.490 ( 0.000 -15.762 -0.000) 15.762 1.607 ( 0.000 -21.566 -0.000) 21.566 2.000 ( 0.000 -1.024 -0.000) 1.024 2.035 ( 0.000 -6.996 -0.000) 6.996 2.067 ( -0.000 2.932 0.000) 2.932 2.305 ( 0.000 -5.472 -0.000) 5.472 2.508 ( -0.000 8.379 0.000) 8.379 2.707 ( 0.000 -1.154 -0.000) 1.154 2.859 ( 0.000 -3.722 -0.000) 3.722 2.882 ( -0.000 10.356 0.000) 10.356 2.954 ( -0.000 1.809 0.000) 1.809 3.149 ( 0.000 -8.115 -0.000) 8.115 3.288 ( 0.000 -1.708 -0.000) 1.708 3.899 ( 0.000 -0.551 -0.000) 0.551 4.304 ( -0.000 1.538 0.000) 1.538 4.650 ( 0.000 -4.544 -0.000) 4.544 4.918 ( -0.000 25.431 0.000) 25.431 5.040 ( 0.000 -30.432 -0.000) 30.432 5.127 ( 0.000 -8.718 -0.000) 8.718 5.737 ( -0.000 20.040 0.000) 20.040 6.064 ( 0.000 -11.618 -0.000) 11.618 6.267 ( 0.000 -1.465 -0.000) 1.465 6.666 ( -0.000 13.247 0.000) 13.247 6.704 ( -0.000 8.629 0.000) 8.629 6.736 ( 0.000 -1.182 -0.000) 1.182 6.867 ( -0.000 11.849 0.000) 11.849 6.895 ( -0.000 16.117 0.000) 16.117 6.954 ( 0.000 -0.236 -0.000) 0.236 7.263 ( -0.000 3.564 0.000) 3.564 7.333 ( 0.000 -14.003 -0.000) 14.003 7.370 ( 0.000 -5.631 -0.000) 5.631 7.392 ( -0.000 5.416 0.000) 5.416 7.577 ( 0.000 -13.604 -0.000) 13.604 7.662 ( 0.000 -13.033 -0.000) 13.033 8.018 ( -0.000 8.408 0.000) 8.408 8.202 ( -0.000 3.255 0.000) 3.255 8.410 ( -0.000 0.866 0.000) 0.866 8.647 ( 0.000 -1.066 -0.000) 1.066 8.942 ( 0.000 -5.420 -0.000) 5.420 8.992 ( 0.000 -14.816 -0.000) 14.816 8.992 ( -0.000 16.482 0.000) 16.482 9.077 ( -0.000 4.058 0.000) 4.058 9.550 ( 0.000 -0.412 -0.000) 0.412 9.681 ( 0.000 -15.068 -0.000) 15.068 9.928 ( -0.000 3.157 0.000) 3.157 9.987 ( 0.000 -2.223 -0.000) 2.223 10.384 ( -0.000 3.708 0.000) 3.708 10.416 ( 0.000 -12.865 -0.000) 12.865 11.013 ( -0.000 8.144 0.000) 8.144 11.184 ( 0.000 -11.760 -0.000) 11.760 11.213 ( -0.000 3.812 0.000) 3.812 11.384 ( -0.000 4.962 0.000) 4.962 11.635 ( 0.000 -4.633 -0.000) 4.633 11.910 ( -0.000 17.809 0.000) 17.809 11.995 ( -0.000 3.432 0.000) 3.432 12.161 ( 0.000 -8.838 -0.000) 8.838 12.259 ( 0.000 -5.102 -0.000) 5.102 12.527 ( 0.000 -1.809 -0.000) 1.809 12.779 ( -0.000 0.199 0.000) 0.199 12.901 ( -0.000 3.166 0.000) 3.166 12.999 ( -0.000 2.983 0.000) 2.983 13.150 ( -0.000 9.784 0.000) 9.784 13.323 ( 0.000 -2.385 -0.000) 2.385 13.497 ( 0.000 -11.461 -0.000) 11.461 13.622 ( 0.000 -0.529 -0.000) 0.529 13.894 ( 0.000 -1.513 -0.000) 1.513 14.314 ( -0.000 0.281 0.000) 0.281 14.368 ( 0.000 -6.049 -0.000) 6.049 14.606 ( -0.000 12.283 0.000) 12.283 14.715 ( -0.000 2.741 0.000) 2.741 14.753 ( -0.000 5.003 0.000) 5.003 14.846 ( 0.000 -6.009 -0.000) 6.009 15.022 ( 0.000 -1.967 -0.000) 1.967 15.079 ( -0.000 1.092 0.000) 1.092 15.250 ( 0.000 -0.666 -0.000) 0.666 15.254 ( -0.000 1.092 0.000) 1.092 15.290 ( -0.000 0.883 0.000) 0.883 15.635 ( -0.000 0.440 0.000) 0.440 15.654 ( 0.000 -0.675 -0.000) 0.675 15.854 ( 0.000 -13.681 -0.000) 13.681 15.862 ( -0.000 2.540 0.000) 2.540 16.158 ( 0.000 -1.798 -0.000) 1.798 16.395 ( -0.000 1.875 0.000) 1.875 16.529 ( 0.000 -0.972 -0.000) 0.972 16.684 ( 0.000 -1.313 -0.000) 1.313 16.821 ( -0.000 3.493 0.000) 3.493 16.921 ( -0.000 2.246 0.000) 2.246 17.120 ( 0.000 -2.061 -0.000) 2.061 17.161 ( 0.000 -0.680 -0.000) 0.680 17.196 ( -0.000 10.154 0.000) 10.154 17.240 ( 0.000 -7.514 -0.000) 7.514 17.525 ( 0.000 -3.673 -0.000) 3.673 17.872 ( 0.000 -3.339 -0.000) 3.339 18.146 ( 0.000 -5.172 -0.000) 5.172 18.516 ( 0.000 -3.511 -0.000) 3.511 19.042 ( -0.000 3.313 0.000) 3.313 19.165 ( -0.000 23.468 0.000) 23.468 19.853 ( -0.000 9.599 0.000) 9.599 20.722 ( 0.000 -14.372 -0.000) 14.372 ======================= Grid point 92 (61/72) ======================= q-point: (-0.40 0.40 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 14.112 -3.945 -0.000) 14.653 1.912 ( -2.347 -3.568 0.000) 4.270 1.939 ( -3.217 -3.660 0.000) 4.873 2.059 ( 3.240 -2.266 0.000) 3.954 2.153 ( 0.411 -2.216 0.000) 2.254 2.318 ( 7.924 12.837 -0.000) 15.085 2.591 ( 1.818 -0.414 -0.000) 1.865 2.615 ( 4.086 -2.313 0.000) 4.695 2.691 ( -1.948 -0.431 0.000) 1.995 2.923 ( -2.609 -2.909 0.000) 3.907 3.100 ( 4.972 -5.307 0.000) 7.273 3.273 ( -2.515 -0.372 0.000) 2.542 3.337 ( 3.744 -0.311 -0.000) 3.757 3.879 ( -3.876 -2.007 0.000) 4.365 4.181 ( -5.867 4.844 -0.000) 7.608 4.483 ( 3.877 16.638 -0.000) 17.084 4.767 ( 2.611 -1.450 0.000) 2.987 5.187 ( -9.440 11.489 -0.000) 14.869 5.295 ( 1.367 -6.172 0.000) 6.321 5.710 ( 0.814 -19.983 0.000) 19.999 6.100 ( -8.351 7.821 -0.000) 11.441 6.311 ( -3.109 -5.452 0.000) 6.276 6.421 ( -0.862 1.715 -0.000) 1.920 6.582 ( -1.054 -0.045 0.000) 1.055 6.582 ( 3.175 13.347 -0.000) 13.719 6.678 ( 2.901 5.287 -0.000) 6.031 6.699 ( -1.399 2.848 -0.000) 3.173 7.122 ( 7.721 -4.225 0.000) 8.801 7.246 ( 0.183 -1.383 0.000) 1.395 7.421 ( 3.482 -4.360 0.000) 5.580 7.465 ( 15.306 3.979 -0.000) 15.815 7.712 ( -0.538 -10.431 0.000) 10.445 7.818 ( -0.254 3.141 -0.000) 3.152 7.864 ( -3.364 -14.366 0.000) 14.755 7.960 ( 2.764 -8.511 0.000) 8.949 8.120 ( -4.191 -0.520 0.000) 4.223 8.412 ( 1.417 0.943 -0.000) 1.702 8.677 ( 2.958 5.735 -0.000) 6.453 8.763 ( 5.723 2.799 -0.000) 6.371 8.999 ( 1.087 4.456 -0.000) 4.586 9.113 ( -1.745 -12.854 0.000) 12.972 9.284 ( 5.189 -7.603 0.000) 9.205 9.524 ( 0.867 2.458 -0.000) 2.606 9.849 ( -7.553 -2.333 0.000) 7.905 9.944 ( -4.327 -0.143 0.000) 4.330 10.036 ( 3.957 -9.515 0.000) 10.305 10.284 ( -0.402 7.213 -0.000) 7.224 10.523 ( -15.524 13.692 -0.000) 20.699 10.592 ( -7.809 -7.543 0.000) 10.857 11.122 ( -6.615 3.287 -0.000) 7.387 11.250 ( -8.948 -3.178 0.000) 9.496 11.398 ( -6.953 10.973 -0.000) 12.990 11.512 ( 17.391 5.920 -0.000) 18.371 11.835 ( -7.180 -0.494 0.000) 7.197 11.930 ( 11.857 -1.614 -0.000) 11.967 12.224 ( -5.458 -0.363 0.000) 5.470 12.253 ( -11.616 -4.531 0.000) 12.468 12.486 ( -16.684 1.678 0.000) 16.768 12.534 ( -1.470 0.723 -0.000) 1.638 12.873 ( -0.360 5.802 -0.000) 5.813 13.011 ( 4.550 -3.847 0.000) 5.958 13.169 ( 11.713 1.177 -0.000) 11.772 13.415 ( 5.160 -1.636 -0.000) 5.413 13.690 ( -4.060 -7.701 0.000) 8.706 13.695 ( 3.953 -1.661 -0.000) 4.288 13.929 ( 1.409 0.744 -0.000) 1.593 14.290 ( -1.947 12.661 -0.000) 12.810 14.364 ( -0.499 0.272 -0.000) 0.568 14.439 ( -10.274 -0.472 0.000) 10.285 14.481 ( 1.083 -2.692 0.000) 2.902 14.770 ( -0.295 1.469 -0.000) 1.498 14.847 ( -11.330 -7.238 0.000) 13.444 15.012 ( -3.678 -1.648 0.000) 4.030 15.075 ( -0.845 1.372 -0.000) 1.611 15.201 ( -4.605 -0.365 0.000) 4.619 15.284 ( 1.386 0.299 -0.000) 1.418 15.301 ( 1.916 -0.178 -0.000) 1.924 15.583 ( -0.034 -1.986 0.000) 1.986 15.722 ( 2.957 2.614 -0.000) 3.947 15.777 ( -5.472 0.022 0.000) 5.472 15.981 ( -10.401 -5.610 0.000) 11.818 16.241 ( 3.243 -8.350 0.000) 8.957 16.331 ( -4.442 1.578 0.000) 4.714 16.539 ( 0.534 0.071 -0.000) 0.538 16.586 ( -6.334 1.740 0.000) 6.569 16.778 ( -4.857 2.656 -0.000) 5.536 16.895 ( 8.280 3.248 -0.000) 8.894 17.023 ( 4.957 2.110 -0.000) 5.388 17.048 ( -7.661 1.678 0.000) 7.842 17.307 ( 9.412 1.711 -0.000) 9.566 17.379 ( 0.744 -4.245 0.000) 4.310 17.585 ( -4.652 -3.249 0.000) 5.674 18.160 ( 1.119 9.589 -0.000) 9.654 18.210 ( 23.353 -5.697 -0.000) 24.038 18.632 ( 14.895 11.996 -0.000) 19.126 18.748 ( -1.391 21.524 -0.000) 21.569 18.931 ( 7.881 -2.886 -0.000) 8.393 19.807 ( -3.960 -7.391 0.000) 8.385 20.949 ( -8.002 -15.299 0.000) 17.265 ======================= Grid point 97 (62/72) ======================= q-point: ( 0.44 0.56 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -2.297 3.552 -0.000) 4.230 1.961 ( 4.870 -3.023 0.000) 5.732 2.102 ( -2.559 -0.898 0.000) 2.712 2.154 ( 7.268 -2.208 -0.000) 7.596 2.220 ( 6.033 3.238 -0.000) 6.847 2.300 ( 12.915 10.997 -0.000) 16.963 2.457 ( -3.148 -1.993 0.000) 3.725 2.784 ( 1.441 0.043 -0.000) 1.442 2.817 ( 4.462 -6.256 0.000) 7.685 2.904 ( -5.222 -1.521 0.000) 5.439 3.183 ( -5.182 1.823 0.000) 5.493 3.233 ( -4.449 -5.035 0.000) 6.719 3.381 ( 6.334 0.882 -0.000) 6.395 3.856 ( -3.641 -2.765 0.000) 4.572 3.976 ( 0.615 6.624 -0.000) 6.653 4.327 ( 2.950 6.288 -0.000) 6.946 4.778 ( 2.550 3.996 -0.000) 4.740 4.805 ( -7.411 8.452 -0.000) 11.241 5.476 ( 4.008 -5.265 0.000) 6.617 5.813 ( -7.039 -0.041 0.000) 7.039 5.976 ( -5.082 -11.264 0.000) 12.357 6.253 ( 2.805 13.551 -0.000) 13.839 6.332 ( -2.739 1.657 -0.000) 3.201 6.511 ( 5.673 3.411 -0.000) 6.620 6.560 ( -5.941 0.098 0.000) 5.941 6.684 ( -0.710 -7.054 0.000) 7.089 6.780 ( 4.340 -3.649 0.000) 5.670 7.325 ( 2.878 -3.232 0.000) 4.328 7.338 ( 1.194 -0.640 0.000) 1.354 7.393 ( -1.155 2.703 -0.000) 2.939 7.669 ( -7.221 -2.506 0.000) 7.643 7.762 ( 22.215 3.879 -0.000) 22.551 7.959 ( 16.972 2.096 -0.000) 17.101 7.974 ( -11.438 -8.843 0.000) 14.458 8.076 ( -2.925 -1.440 0.000) 3.260 8.430 ( 3.061 0.152 -0.000) 3.065 8.478 ( 4.720 -21.040 0.000) 21.563 8.607 ( -5.773 -1.454 0.000) 5.953 8.841 ( 11.420 0.231 -0.000) 11.423 8.944 ( -3.474 1.984 -0.000) 4.001 9.309 ( -11.939 -17.757 0.000) 21.398 9.583 ( 7.495 -4.441 0.000) 8.712 9.623 ( 2.034 2.450 -0.000) 3.184 9.674 ( 5.271 5.412 -0.000) 7.554 9.810 ( -3.410 2.275 -0.000) 4.099 9.948 ( -0.954 13.136 -0.000) 13.171 10.182 ( -4.570 4.326 -0.000) 6.293 10.188 ( 2.360 0.428 -0.000) 2.399 10.295 ( -17.381 9.535 -0.000) 19.824 10.762 ( -18.507 4.701 0.000) 19.095 11.066 ( -10.231 -2.141 0.000) 10.452 11.206 ( -2.444 4.023 -0.000) 4.707 11.519 ( -6.068 4.295 -0.000) 7.434 11.894 ( -21.118 -2.845 0.000) 21.309 11.933 ( 8.577 -6.125 0.000) 10.540 12.104 ( -10.375 5.306 -0.000) 11.653 12.181 ( 5.312 2.484 -0.000) 5.864 12.332 ( 8.063 -4.813 0.000) 9.390 12.490 ( -1.122 0.676 -0.000) 1.310 12.765 ( 0.808 3.575 -0.000) 3.665 13.161 ( -1.475 -3.270 0.000) 3.587 13.414 ( 9.279 -4.463 -0.000) 10.297 13.587 ( 6.660 -3.199 -0.000) 7.388 13.691 ( -5.957 -2.981 0.000) 6.662 13.804 ( 2.725 -0.710 -0.000) 2.816 13.875 ( -0.803 4.806 -0.000) 4.872 14.085 ( 4.867 7.704 -0.000) 9.113 14.159 ( -7.108 0.308 0.000) 7.115 14.396 ( -0.345 2.223 -0.000) 2.249 14.544 ( 1.288 -1.172 0.000) 1.741 14.733 ( -5.448 -1.275 0.000) 5.595 14.813 ( -11.814 -9.582 0.000) 15.211 14.942 ( -3.058 1.732 -0.000) 3.515 14.991 ( -7.740 -1.855 0.000) 7.959 15.095 ( -5.434 1.898 0.000) 5.756 15.261 ( -3.507 -2.311 0.000) 4.200 15.327 ( 1.697 0.835 -0.000) 1.891 15.664 ( -8.003 -3.585 0.000) 8.769 15.673 ( 2.870 -0.227 -0.000) 2.879 15.713 ( 0.398 0.329 -0.000) 0.517 15.859 ( -0.421 2.753 -0.000) 2.785 16.088 ( -6.925 5.651 -0.000) 8.938 16.492 ( -0.095 -1.275 0.000) 1.279 16.570 ( 0.662 -1.572 0.000) 1.706 16.626 ( 7.594 -13.000 0.000) 15.055 16.724 ( -0.586 0.763 -0.000) 0.962 16.746 ( -9.703 8.885 -0.000) 13.156 16.933 ( 1.901 1.100 -0.000) 2.196 17.123 ( 7.087 -0.149 -0.000) 7.089 17.381 ( -2.990 2.591 -0.000) 3.956 17.474 ( 3.714 -5.407 0.000) 6.560 17.590 ( -2.689 -1.750 0.000) 3.208 17.950 ( 9.115 14.826 -0.000) 17.404 18.209 ( -0.836 22.785 -0.000) 22.800 18.639 ( 5.280 4.830 -0.000) 7.156 18.867 ( 23.945 -5.282 -0.000) 24.521 19.323 ( 13.746 -6.582 -0.000) 15.240 19.908 ( -3.085 -7.944 0.000) 8.523 21.050 ( -10.240 -11.085 0.000) 15.091 ======================= Grid point 101 (63/72) ======================= q-point: ( 0.29 -0.29 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -13.752 -0.000 0.000) 13.752 1.929 ( -10.504 -0.000 0.000) 10.504 2.113 ( -2.577 -0.000 0.000) 2.577 2.207 ( 5.052 0.000 -0.000) 5.052 2.391 ( 12.580 0.000 -0.000) 12.580 2.415 ( -7.939 -0.000 0.000) 7.939 2.447 ( 9.649 0.000 -0.000) 9.649 2.743 ( -5.308 -0.000 0.000) 5.308 2.932 ( -4.883 -0.000 0.000) 4.883 2.948 ( 9.167 0.000 -0.000) 9.167 3.027 ( -6.148 -0.000 0.000) 6.148 3.230 ( 3.881 0.000 -0.000) 3.881 3.434 ( -3.326 -0.000 0.000) 3.326 3.825 ( -3.550 -0.000 0.000) 3.550 3.989 ( 6.888 0.000 -0.000) 6.888 4.306 ( 1.140 0.000 -0.000) 1.140 4.568 ( -6.986 -0.000 0.000) 6.986 4.791 ( 4.491 0.000 -0.000) 4.491 5.581 ( -0.811 -0.000 0.000) 0.811 5.772 ( -0.878 -0.000 0.000) 0.878 6.038 ( -1.251 -0.000 0.000) 1.251 6.148 ( 4.887 0.000 -0.000) 4.887 6.241 ( -2.418 -0.000 0.000) 2.418 6.395 ( -6.020 -0.000 0.000) 6.020 6.625 ( 9.738 0.000 -0.000) 9.738 6.774 ( -0.860 -0.000 0.000) 0.860 6.918 ( 5.050 0.000 -0.000) 5.050 7.103 ( -8.973 -0.000 0.000) 8.973 7.461 ( 5.355 0.000 -0.000) 5.355 7.492 ( 0.192 0.000 -0.000) 0.192 7.709 ( 3.988 0.000 -0.000) 3.988 7.791 ( -12.268 -0.000 0.000) 12.268 7.957 ( -15.593 -0.000 0.000) 15.593 8.019 ( -3.806 -0.000 0.000) 3.806 8.187 ( 22.145 0.000 -0.000) 22.145 8.387 ( -3.685 -0.000 0.000) 3.685 8.561 ( 8.844 0.000 -0.000) 8.844 8.786 ( -3.957 -0.000 0.000) 3.957 9.102 ( 9.130 0.000 -0.000) 9.130 9.149 ( 16.478 0.000 -0.000) 16.478 9.322 ( -18.404 -0.000 0.000) 18.404 9.494 ( -9.324 -0.000 0.000) 9.324 9.502 ( 12.580 0.000 -0.000) 12.580 9.544 ( -15.904 -0.000 0.000) 15.904 9.613 ( -8.867 -0.000 0.000) 8.867 9.912 ( -11.040 -0.000 0.000) 11.040 10.014 ( -3.172 -0.000 0.000) 3.172 10.179 ( 9.891 0.000 -0.000) 9.891 10.425 ( 5.613 0.000 -0.000) 5.613 10.462 ( 27.320 0.000 -0.000) 27.320 10.713 ( -26.690 -0.000 0.000) 26.690 11.189 ( 4.498 0.000 -0.000) 4.498 11.307 ( -8.351 -0.000 0.000) 8.351 11.657 ( -8.011 -0.000 0.000) 8.011 11.724 ( -17.133 -0.000 0.000) 17.133 12.218 ( 2.468 0.000 -0.000) 2.468 12.230 ( 8.128 0.000 -0.000) 8.128 12.461 ( -1.018 -0.000 0.000) 1.018 12.607 ( 11.500 0.000 -0.000) 11.500 12.766 ( 2.661 0.000 -0.000) 2.661 13.060 ( -9.002 -0.000 0.000) 9.002 13.572 ( -7.494 -0.000 0.000) 7.494 13.664 ( 6.769 0.000 -0.000) 6.769 13.707 ( -5.077 -0.000 0.000) 5.077 13.796 ( -0.475 -0.000 0.000) 0.475 13.860 ( 9.675 0.000 -0.000) 9.675 14.101 ( -0.360 -0.000 0.000) 0.360 14.177 ( 11.301 0.000 -0.000) 11.301 14.378 ( -0.203 -0.000 0.000) 0.203 14.545 ( -5.375 -0.000 0.000) 5.375 14.626 ( -15.414 -0.000 0.000) 15.414 14.681 ( 0.647 0.000 -0.000) 0.647 14.834 ( -4.668 -0.000 0.000) 4.668 14.885 ( 0.434 0.000 -0.000) 0.434 15.013 ( -1.292 -0.000 0.000) 1.292 15.198 ( -5.215 -0.000 0.000) 5.215 15.344 ( -0.228 -0.000 0.000) 0.228 15.591 ( -4.109 -0.000 0.000) 4.109 15.648 ( -0.938 -0.000 0.000) 0.938 15.772 ( 3.053 0.000 -0.000) 3.053 15.865 ( 2.959 0.000 -0.000) 2.959 16.044 ( 3.089 0.000 -0.000) 3.089 16.426 ( -6.762 -0.000 0.000) 6.762 16.547 ( 3.228 0.000 -0.000) 3.228 16.648 ( 3.424 0.000 -0.000) 3.424 16.652 ( -3.405 -0.000 0.000) 3.405 16.951 ( 1.286 0.000 -0.000) 1.286 17.001 ( 6.224 0.000 -0.000) 6.224 17.192 ( -5.472 -0.000 0.000) 5.472 17.266 ( 5.691 0.000 -0.000) 5.691 17.529 ( -3.253 -0.000 0.000) 3.253 17.606 ( -2.204 -0.000 0.000) 2.204 17.886 ( -0.969 -0.000 0.000) 0.969 17.940 ( 5.335 0.000 -0.000) 5.335 18.638 ( 0.178 0.000 -0.000) 0.178 19.245 ( 8.017 0.000 -0.000) 8.017 19.635 ( 10.193 0.000 -0.000) 10.193 20.017 ( 5.242 0.000 -0.000) 5.242 20.986 ( -9.040 -0.000 0.000) 9.040 ======================= Grid point 104 (64/72) ======================= q-point: ( 0.46 0.29 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 7.124 21.871) 23.002 1.715 ( 0.000 3.625 16.816) 17.202 1.787 ( 0.000 -1.567 -1.665) 2.286 1.938 ( -0.000 3.415 3.733) 5.059 2.233 ( 0.000 -7.417 -6.390) 9.790 2.361 ( -0.000 5.340 -7.963) 9.588 2.534 ( -0.000 3.021 -1.249) 3.269 2.581 ( 0.000 -1.673 7.500) 7.684 2.717 ( 0.000 2.754 21.953) 22.125 2.893 ( 0.000 -7.837 -8.916) 11.870 3.184 ( 0.000 -0.974 3.055) 3.206 3.361 ( 0.000 -3.229 -3.046) 4.439 3.523 ( -0.000 -3.950 -12.850) 13.444 3.785 ( 0.000 0.129 11.734) 11.735 4.037 ( -0.000 16.058 -3.067) 16.349 4.280 ( -0.000 -1.209 -3.242) 3.460 4.627 ( -0.000 5.660 7.223) 9.177 5.138 ( -0.000 8.152 -13.843) 16.065 5.462 ( -0.000 -5.261 -9.918) 11.227 6.022 ( -0.000 5.699 4.147) 7.049 6.129 ( -0.000 1.858 0.679) 1.978 6.359 ( 0.000 -12.794 -3.839) 13.357 6.387 ( 0.000 -2.082 2.752) 3.451 6.548 ( 0.000 -2.845 -2.269) 3.639 6.642 ( -0.000 0.298 -5.141) 5.150 6.661 ( 0.000 -1.001 0.807) 1.286 6.793 ( -0.000 -4.726 -7.442) 8.815 7.104 ( 0.000 -3.819 -0.632) 3.871 7.149 ( -0.000 6.882 4.296) 8.113 7.263 ( -0.000 0.086 -2.241) 2.242 7.304 ( -0.000 3.803 -3.335) 5.058 7.661 ( -0.000 2.283 0.001) 2.283 7.884 ( 0.000 -6.761 8.605) 10.944 8.108 ( 0.000 0.736 4.214) 4.278 8.162 ( 0.000 -10.680 4.558) 11.612 8.283 ( -0.000 5.291 -5.604) 7.708 8.406 ( 0.000 -1.446 2.839) 3.186 8.541 ( 0.000 -11.080 1.774) 11.221 8.624 ( 0.000 -3.626 1.928) 4.107 8.991 ( 0.000 -2.953 -2.593) 3.930 9.200 ( -0.000 -0.584 -3.718) 3.764 9.376 ( -0.000 4.793 5.696) 7.445 9.548 ( 0.000 -7.492 -4.089) 8.535 9.969 ( 0.000 -2.547 5.179) 5.771 9.989 ( 0.000 -1.984 -1.006) 2.224 10.109 ( 0.000 -4.748 3.604) 5.961 10.147 ( -0.000 11.211 0.172) 11.213 10.497 ( -0.000 10.449 2.420) 10.725 10.869 ( 0.000 -4.015 1.271) 4.211 11.091 ( -0.000 1.186 -0.981) 1.539 11.212 ( -0.000 3.353 -2.392) 4.119 11.292 ( -0.000 9.431 -10.617) 14.201 11.387 ( 0.000 -1.456 0.899) 1.712 11.696 ( 0.000 1.402 8.076) 8.197 11.884 ( -0.000 -0.605 -1.475) 1.594 12.405 ( 0.000 -2.353 1.741) 2.927 12.415 ( 0.000 -2.166 2.933) 3.646 12.504 ( 0.000 0.793 2.104) 2.249 12.807 ( -0.000 2.523 -3.844) 4.599 12.834 ( -0.000 -0.231 -5.489) 5.494 12.887 ( -0.000 1.023 1.061) 1.474 12.995 ( -0.000 -1.048 -4.810) 4.922 13.415 ( 0.000 -3.898 2.821) 4.812 13.725 ( -0.000 -0.239 -1.781) 1.797 13.827 ( 0.000 -1.722 0.708) 1.862 13.903 ( 0.000 0.515 1.188) 1.295 14.033 ( -0.000 10.555 -2.476) 10.841 14.343 ( -0.000 3.816 0.854) 3.910 14.530 ( 0.000 -7.430 0.273) 7.435 14.661 ( -0.000 0.204 -2.128) 2.137 14.763 ( -0.000 -2.719 -5.908) 6.504 15.031 ( 0.000 -3.169 4.009) 5.110 15.074 ( 0.000 -0.572 1.831) 1.919 15.201 ( -0.000 0.941 -0.649) 1.142 15.210 ( 0.000 -0.672 0.352) 0.758 15.229 ( -0.000 0.229 -0.154) 0.276 15.288 ( 0.000 -0.537 -0.506) 0.738 15.631 ( 0.000 0.782 1.514) 1.705 15.692 ( 0.000 -11.841 1.801) 11.977 15.823 ( -0.000 -0.026 -3.004) 3.004 16.204 ( 0.000 -0.600 2.181) 2.262 16.339 ( 0.000 -3.508 1.330) 3.752 16.417 ( 0.000 -11.330 5.331) 12.522 16.493 ( -0.000 1.828 -0.236) 1.843 16.620 ( -0.000 4.675 0.666) 4.722 16.765 ( 0.000 -1.985 0.541) 2.057 16.895 ( -0.000 1.331 -0.431) 1.399 16.926 ( -0.000 3.255 -1.956) 3.798 16.998 ( -0.000 4.593 -1.698) 4.896 17.202 ( -0.000 -0.224 -4.982) 4.987 17.391 ( 0.000 -1.291 4.548) 4.728 17.645 ( -0.000 8.012 -2.282) 8.330 17.871 ( -0.000 14.282 -0.123) 14.283 18.041 ( -0.000 8.017 -7.549) 11.012 18.315 ( -0.000 13.334 3.842) 13.877 18.316 ( 0.000 -3.040 3.761) 4.836 18.954 ( 0.000 -2.778 -3.525) 4.488 20.020 ( 0.000 -6.740 -0.462) 6.755 21.221 ( 0.000 -10.544 6.589) 12.434 ======================= Grid point 109 (65/72) ======================= q-point: ( 0.30 0.45 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 6.892 -0.000 18.829) 20.051 1.719 ( 5.226 -0.000 17.501) 18.265 1.928 ( 3.297 -0.000 5.474) 6.390 1.947 ( 13.311 0.000 -1.941) 13.451 2.268 ( -1.748 0.000 -5.837) 6.093 2.273 ( -4.868 0.000 -6.784) 8.350 2.518 ( -1.086 -0.000 13.937) 13.979 2.524 ( -0.685 0.000 -1.128) 1.320 2.850 ( 9.555 -0.000 17.098) 19.586 3.051 ( 6.452 0.000 -8.217) 10.447 3.112 ( -7.113 -0.000 2.358) 7.494 3.404 ( -1.115 0.000 -5.848) 5.953 3.531 ( -4.226 0.000 -8.333) 9.343 3.789 ( -0.319 -0.000 9.852) 9.857 3.860 ( 2.724 0.000 -4.582) 5.331 4.291 ( -0.387 0.000 -3.512) 3.533 4.541 ( -1.727 -0.000 7.963) 8.148 5.033 ( -0.713 0.000 -15.616) 15.632 5.548 ( 2.236 0.000 -10.560) 10.794 5.951 ( -1.039 -0.000 7.825) 7.893 6.009 ( -4.111 0.000 -4.620) 6.184 6.330 ( -4.524 -0.000 -0.433) 4.544 6.393 ( -15.204 -0.000 -0.547) 15.213 6.476 ( -0.948 0.000 -5.754) 5.831 6.633 ( -0.592 0.000 -0.553) 0.810 6.750 ( -4.694 -0.000 6.194) 7.772 6.904 ( 3.632 0.000 -7.014) 7.899 7.130 ( 11.733 0.000 1.258) 11.800 7.298 ( 4.139 0.000 -0.901) 4.236 7.358 ( 10.120 0.000 -1.865) 10.291 7.452 ( 20.847 0.000 1.197) 20.881 7.493 ( -8.076 -0.000 -0.763) 8.112 7.839 ( -7.865 -0.000 3.208) 8.494 8.173 ( -3.671 -0.000 -1.477) 3.957 8.271 ( 7.120 -0.000 5.233) 8.836 8.340 ( 4.123 0.000 -0.957) 4.233 8.346 ( 2.916 -0.000 4.380) 5.262 8.771 ( 5.342 -0.000 2.794) 6.028 8.857 ( -3.407 0.000 -3.337) 4.769 8.954 ( 7.459 0.000 -0.137) 7.461 9.333 ( 12.594 0.000 -0.621) 12.609 9.358 ( 7.954 -0.000 4.709) 9.244 9.566 ( -27.542 -0.000 7.320) 28.498 9.681 ( 2.104 0.000 -5.106) 5.523 9.922 ( -9.334 -0.000 -0.561) 9.351 9.991 ( -7.143 -0.000 2.263) 7.492 10.215 ( -2.952 0.000 -2.960) 4.180 10.299 ( -2.215 -0.000 0.558) 2.284 10.651 ( -23.374 -0.000 2.811) 23.542 10.980 ( -10.922 -0.000 2.696) 11.250 11.072 ( -0.255 0.000 -0.468) 0.533 11.345 ( -5.824 -0.000 -0.585) 5.853 11.443 ( 11.723 0.000 -7.363) 13.843 11.732 ( 5.596 -0.000 7.813) 9.610 12.017 ( 8.599 0.000 -0.998) 8.657 12.264 ( -12.757 -0.000 -1.601) 12.857 12.382 ( -6.342 -0.000 1.944) 6.634 12.429 ( 0.274 -0.000 4.940) 4.948 12.494 ( -21.287 -0.000 -7.838) 22.685 12.773 ( -0.451 0.000 -4.810) 4.831 13.078 ( 11.856 0.000 2.409) 12.098 13.269 ( 14.224 0.000 -3.954) 14.763 13.475 ( 1.054 -0.000 4.053) 4.187 13.756 ( 0.192 -0.000 2.200) 2.209 13.846 ( 2.986 0.000 0.962) 3.137 13.880 ( -0.553 -0.000 0.356) 0.658 13.909 ( -2.191 0.000 -4.363) 4.882 14.235 ( -3.804 -0.000 -1.411) 4.057 14.474 ( -10.292 -0.000 0.953) 10.336 14.615 ( -2.516 0.000 -5.628) 6.165 14.823 ( -0.902 0.000 -1.825) 2.036 14.999 ( -4.786 -0.000 2.183) 5.260 15.062 ( -2.472 -0.000 1.453) 2.868 15.129 ( -6.080 -0.000 0.069) 6.081 15.197 ( -8.052 -0.000 2.565) 8.451 15.214 ( 2.329 -0.000 3.029) 3.821 15.340 ( 6.576 0.000 -2.150) 6.918 15.661 ( 3.356 0.000 -0.428) 3.384 15.773 ( -2.974 -0.000 0.210) 2.981 15.885 ( -19.828 -0.000 6.689) 20.926 15.948 ( 3.117 0.000 -2.467) 3.975 16.131 ( -20.333 -0.000 -4.804) 20.892 16.479 ( 2.647 0.000 -2.568) 3.688 16.600 ( 0.383 0.000 -3.777) 3.797 16.625 ( 3.018 -0.000 5.541) 6.309 16.791 ( 2.310 0.000 -1.088) 2.553 16.819 ( 2.383 0.000 0.497) 2.434 16.966 ( -7.251 -0.000 -0.228) 7.255 17.040 ( 0.987 0.000 -0.988) 1.397 17.242 ( 11.066 0.000 4.615) 11.990 17.283 ( -1.039 -0.000 4.662) 4.777 17.628 ( 8.560 0.000 2.888) 9.034 17.844 ( 1.205 -0.000 2.259) 2.560 17.850 ( 0.031 0.000 -12.866) 12.866 18.350 ( 7.765 -0.000 5.917) 9.762 18.593 ( 23.861 0.000 -6.118) 24.633 19.121 ( 12.504 0.000 -1.460) 12.589 20.064 ( -3.010 -0.000 -0.381) 3.034 21.275 ( -6.065 -0.000 5.177) 7.975 ======================= Grid point 118 (66/72) ======================= q-point: (-0.33 0.33 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.000 -5.206 -0.000) 5.206 1.974 ( 0.000 -13.038 -0.000) 13.038 1.992 ( -0.000 1.240 0.000) 1.240 1.994 ( -0.000 3.919 0.000) 3.919 2.147 ( 0.000 -5.016 -0.000) 5.016 2.229 ( -0.000 16.630 0.000) 16.630 2.489 ( 0.000 -11.034 -0.000) 11.034 2.631 ( -0.000 6.257 0.000) 6.257 2.729 ( -0.000 3.105 0.000) 3.105 2.953 ( 0.000 -3.928 -0.000) 3.928 3.032 ( 0.000 -9.267 -0.000) 9.267 3.293 ( 0.000 -2.871 -0.000) 2.871 3.310 ( 0.000 -0.528 -0.000) 0.528 3.918 ( 0.000 -1.002 -0.000) 1.002 4.260 ( -0.000 2.109 0.000) 2.109 4.421 ( -0.000 21.983 0.000) 21.983 4.743 ( 0.000 -3.282 -0.000) 3.282 5.279 ( -0.000 20.367 0.000) 20.367 5.281 ( 0.000 -5.144 -0.000) 5.144 5.716 ( 0.000 -32.408 -0.000) 32.408 6.183 ( -0.000 4.173 0.000) 4.173 6.362 ( 0.000 -7.051 -0.000) 7.051 6.479 ( -0.000 20.058 0.000) 20.058 6.511 ( 0.000 -0.873 -0.000) 0.873 6.604 ( -0.000 2.125 0.000) 2.125 6.654 ( -0.000 6.493 0.000) 6.493 6.705 ( -0.000 3.167 0.000) 3.167 7.003 ( 0.000 -4.213 -0.000) 4.213 7.240 ( 0.000 -0.035 -0.000) 0.035 7.300 ( -0.000 3.992 0.000) 3.992 7.368 ( -0.000 3.716 0.000) 3.716 7.637 ( 0.000 -12.513 -0.000) 12.513 7.860 ( -0.000 4.502 0.000) 4.502 7.902 ( 0.000 -16.593 -0.000) 16.593 8.040 ( 0.000 -18.846 -0.000) 18.846 8.170 ( -0.000 0.064 0.000) 0.064 8.390 ( -0.000 0.284 0.000) 0.284 8.629 ( -0.000 1.798 0.000) 1.798 8.641 ( -0.000 15.494 0.000) 15.494 9.004 ( -0.000 2.764 0.000) 2.764 9.070 ( 0.000 -5.946 -0.000) 5.946 9.290 ( 0.000 -12.891 -0.000) 12.891 9.526 ( -0.000 2.640 0.000) 2.640 9.931 ( 0.000 -2.375 -0.000) 2.375 9.964 ( 0.000 -11.355 -0.000) 11.355 10.014 ( 0.000 -0.554 -0.000) 0.554 10.293 ( -0.000 5.444 0.000) 5.444 10.678 ( 0.000 -11.843 -0.000) 11.843 10.784 ( -0.000 13.008 0.000) 13.008 11.124 ( -0.000 4.177 0.000) 4.177 11.286 ( -0.000 4.375 0.000) 4.375 11.344 ( 0.000 -4.210 -0.000) 4.210 11.521 ( -0.000 18.654 0.000) 18.654 11.753 ( 0.000 -5.902 -0.000) 5.902 11.902 ( -0.000 5.091 0.000) 5.091 12.319 ( 0.000 -5.976 -0.000) 5.976 12.362 ( 0.000 -4.564 -0.000) 4.564 12.558 ( 0.000 -0.872 -0.000) 0.872 12.777 ( -0.000 0.074 0.000) 0.074 12.843 ( -0.000 2.777 0.000) 2.777 12.940 ( -0.000 2.506 0.000) 2.506 12.974 ( -0.000 5.977 0.000) 5.977 13.359 ( 0.000 -2.554 -0.000) 2.554 13.652 ( 0.000 -2.066 -0.000) 2.066 13.735 ( 0.000 -8.229 -0.000) 8.229 13.914 ( 0.000 -0.392 -0.000) 0.392 14.309 ( -0.000 15.050 0.000) 15.050 14.346 ( 0.000 -4.435 -0.000) 4.435 14.474 ( 0.000 -3.719 -0.000) 3.719 14.665 ( -0.000 1.842 0.000) 1.842 14.666 ( -0.000 2.979 0.000) 2.979 15.008 ( 0.000 -8.408 -0.000) 8.408 15.062 ( 0.000 -1.770 -0.000) 1.770 15.072 ( 0.000 -0.509 -0.000) 0.509 15.237 ( -0.000 0.623 0.000) 0.623 15.265 ( -0.000 1.608 0.000) 1.608 15.267 ( 0.000 -0.886 -0.000) 0.886 15.624 ( 0.000 -0.055 -0.000) 0.055 15.659 ( -0.000 0.166 0.000) 0.166 15.813 ( -0.000 1.936 0.000) 1.936 16.146 ( 0.000 -14.030 -0.000) 14.030 16.196 ( 0.000 -1.783 -0.000) 1.783 16.357 ( -0.000 1.041 0.000) 1.041 16.531 ( -0.000 1.027 0.000) 1.027 16.728 ( 0.000 -2.482 -0.000) 2.482 16.742 ( -0.000 3.502 0.000) 3.502 16.893 ( -0.000 0.503 0.000) 0.503 17.007 ( -0.000 7.283 0.000) 7.283 17.085 ( -0.000 4.829 0.000) 4.829 17.160 ( -0.000 0.474 0.000) 0.474 17.365 ( 0.000 -4.353 -0.000) 4.353 17.627 ( 0.000 -4.842 -0.000) 4.842 17.958 ( 0.000 -4.359 -0.000) 4.359 18.261 ( 0.000 -5.328 -0.000) 5.328 18.352 ( -0.000 23.222 0.000) 23.222 18.762 ( -0.000 20.972 0.000) 20.972 18.857 ( -0.000 1.218 0.000) 1.218 19.848 ( 0.000 -6.935 -0.000) 6.935 21.031 ( 0.000 -14.389 -0.000) 14.389 ======================= Grid point 123 (67/72) ======================= q-point: (-0.49 -0.51 0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 1.652 2.469 -0.000) 2.971 1.896 ( 12.517 -1.120 -0.000) 12.567 1.960 ( -1.093 0.370 0.000) 1.154 2.057 ( 10.635 10.879 -0.000) 15.213 2.154 ( -1.430 -3.959 0.000) 4.209 2.204 ( -0.444 0.372 -0.000) 0.579 2.504 ( -1.771 1.241 -0.000) 2.162 2.733 ( 3.369 -2.265 0.000) 4.059 2.766 ( 0.700 -6.163 0.000) 6.202 3.001 ( -2.129 -4.855 0.000) 5.301 3.238 ( -1.637 5.328 -0.000) 5.574 3.279 ( -0.357 -9.512 0.000) 9.518 3.317 ( -0.294 -1.220 0.000) 1.255 3.911 ( -1.908 -0.843 0.000) 2.086 3.986 ( -1.248 12.981 -0.000) 13.041 4.263 ( 3.132 3.865 -0.000) 4.975 4.745 ( 0.909 3.793 -0.000) 3.901 4.920 ( -3.987 9.897 -0.000) 10.670 5.393 ( 3.561 -3.484 0.000) 4.982 5.961 ( -7.171 3.122 0.000) 7.821 6.145 ( -11.528 -16.318 0.000) 19.979 6.190 ( 3.539 12.353 -0.000) 12.850 6.427 ( -6.686 -2.210 0.000) 7.042 6.447 ( 1.261 4.407 -0.000) 4.583 6.625 ( 0.256 -2.269 0.000) 2.283 6.683 ( 0.783 -5.825 0.000) 5.878 6.720 ( 1.689 -4.789 0.000) 5.078 7.211 ( 5.529 -1.929 -0.000) 5.856 7.274 ( 2.125 -1.142 0.000) 2.413 7.379 ( 15.107 3.550 -0.000) 15.519 7.394 ( 13.459 2.528 -0.000) 13.695 7.652 ( 2.580 8.789 -0.000) 9.159 7.863 ( -10.221 -2.908 0.000) 10.627 8.128 ( -3.781 -3.653 0.000) 5.257 8.178 ( -5.548 -10.186 0.000) 11.599 8.290 ( 9.473 -11.497 0.000) 14.897 8.404 ( -0.898 0.183 0.000) 0.916 8.561 ( 7.924 -4.058 0.000) 8.903 8.790 ( -3.152 -2.333 0.000) 3.922 8.969 ( 6.167 -0.993 -0.000) 6.246 9.287 ( 11.948 -4.004 -0.000) 12.601 9.463 ( 3.661 3.309 -0.000) 4.934 9.491 ( -2.536 -10.720 0.000) 11.016 9.832 ( -13.023 7.757 -0.000) 15.158 9.933 ( -6.881 0.857 0.000) 6.934 10.067 ( -7.227 8.950 -0.000) 11.504 10.168 ( 1.131 -2.807 0.000) 3.026 10.334 ( -10.542 4.105 0.000) 11.313 10.687 ( -18.362 -0.966 0.000) 18.387 11.045 ( -8.487 3.484 0.000) 9.174 11.146 ( -1.656 6.961 -0.000) 7.155 11.328 ( -6.430 -0.970 0.000) 6.503 11.402 ( 15.847 4.009 -0.000) 16.346 11.833 ( 3.019 0.408 -0.000) 3.047 11.982 ( 9.920 -2.317 -0.000) 10.187 12.238 ( -11.856 -0.720 0.000) 11.878 12.339 ( -12.421 -3.570 0.000) 12.924 12.449 ( -17.539 2.032 0.000) 17.656 12.511 ( -1.144 1.195 -0.000) 1.654 12.757 ( 0.163 4.500 -0.000) 4.503 13.080 ( 10.245 -2.280 -0.000) 10.496 13.188 ( 13.543 -2.362 -0.000) 13.748 13.468 ( 3.209 -3.313 0.000) 4.612 13.741 ( 3.181 -2.809 0.000) 4.243 13.795 ( -3.992 -3.259 0.000) 5.153 13.905 ( -1.236 1.361 -0.000) 1.838 14.024 ( 1.898 11.532 -0.000) 11.687 14.303 ( -5.676 5.144 -0.000) 7.660 14.476 ( -8.292 -1.331 0.000) 8.398 14.529 ( 0.012 -1.543 0.000) 1.543 14.779 ( 1.489 -1.755 0.000) 2.301 15.025 ( -5.056 0.281 0.000) 5.063 15.037 ( -9.960 -9.043 0.000) 13.453 15.071 ( -2.122 -0.645 0.000) 2.218 15.218 ( -3.219 -1.238 0.000) 3.449 15.274 ( 1.930 -0.065 -0.000) 1.931 15.289 ( 1.239 1.321 -0.000) 1.811 15.664 ( -1.230 -1.686 0.000) 2.087 15.685 ( 0.945 -4.749 0.000) 4.843 15.779 ( -1.369 -0.491 0.000) 1.454 16.047 ( -20.893 -0.537 0.000) 20.900 16.203 ( -3.166 7.712 -0.000) 8.337 16.447 ( 6.618 -3.481 0.000) 7.478 16.549 ( 1.518 -1.063 0.000) 1.853 16.574 ( -5.253 -4.618 0.000) 6.994 16.749 ( -2.501 0.858 0.000) 2.644 16.844 ( 3.560 1.374 -0.000) 3.816 16.992 ( 5.630 0.267 -0.000) 5.636 17.008 ( -11.551 1.387 0.000) 11.634 17.315 ( 14.318 -3.185 -0.000) 14.667 17.429 ( -0.960 0.705 -0.000) 1.191 17.647 ( -2.085 0.590 0.000) 2.167 17.801 ( 3.004 16.251 -0.000) 16.526 18.138 ( 10.478 17.433 -0.000) 20.340 18.440 ( 12.446 0.880 -0.000) 12.477 18.496 ( 9.168 1.662 -0.000) 9.318 19.049 ( 12.441 -5.182 -0.000) 13.477 19.979 ( -3.281 -7.093 0.000) 7.815 21.222 ( -6.613 -9.827 0.000) 11.844 ======================= Grid point 127 (68/72) ======================= q-point: ( 0.36 0.64 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -6.932 -0.000 0.000) 6.932 2.045 ( 5.510 0.000 -0.000) 5.510 2.114 ( -3.695 -0.000 0.000) 3.695 2.119 ( 14.368 0.000 -0.000) 14.368 2.144 ( -1.384 -0.000 0.000) 1.384 2.196 ( 15.039 0.000 -0.000) 15.039 2.503 ( -1.662 -0.000 0.000) 1.662 2.772 ( 5.279 0.000 -0.000) 5.279 2.900 ( 3.808 0.000 -0.000) 3.808 2.930 ( -11.828 -0.000 0.000) 11.828 3.145 ( -2.713 -0.000 0.000) 2.713 3.305 ( -6.805 -0.000 0.000) 6.805 3.395 ( 5.166 0.000 -0.000) 5.166 3.873 ( 4.549 0.000 -0.000) 4.549 3.885 ( -2.386 -0.000 0.000) 2.386 4.271 ( 2.051 0.000 -0.000) 2.051 4.702 ( -6.533 -0.000 0.000) 6.533 4.723 ( 2.656 0.000 -0.000) 2.656 5.533 ( 4.864 0.000 -0.000) 4.864 5.853 ( -6.017 -0.000 0.000) 6.017 6.072 ( 3.042 0.000 -0.000) 3.042 6.147 ( -9.471 -0.000 0.000) 9.471 6.256 ( -1.925 -0.000 0.000) 1.925 6.470 ( 5.779 0.000 -0.000) 5.779 6.557 ( -7.144 -0.000 0.000) 7.144 6.808 ( -2.709 -0.000 0.000) 2.709 6.824 ( 3.938 0.000 -0.000) 3.938 7.266 ( -5.398 -0.000 0.000) 5.398 7.362 ( 4.501 0.000 -0.000) 4.501 7.407 ( 6.703 0.000 -0.000) 6.703 7.686 ( -4.968 -0.000 0.000) 4.968 7.713 ( 22.379 0.000 -0.000) 22.379 7.940 ( 18.526 0.000 -0.000) 18.526 8.087 ( -15.545 -0.000 0.000) 15.545 8.089 ( -3.249 -0.000 0.000) 3.249 8.421 ( 5.544 0.000 -0.000) 5.544 8.580 ( -13.065 -0.000 0.000) 13.065 8.758 ( 22.253 0.000 -0.000) 22.253 8.874 ( 1.407 0.000 -0.000) 1.407 9.105 ( -20.350 -0.000 0.000) 20.350 9.257 ( 13.084 0.000 -0.000) 13.084 9.624 ( -3.364 -0.000 0.000) 3.364 9.629 ( -1.507 -0.000 0.000) 1.507 9.708 ( -0.236 -0.000 0.000) 0.236 9.725 ( 22.983 0.000 -0.000) 22.983 9.824 ( -11.028 -0.000 0.000) 11.028 10.093 ( -6.841 -0.000 0.000) 6.841 10.134 ( -8.079 -0.000 0.000) 8.079 10.231 ( -14.956 -0.000 0.000) 14.956 10.708 ( -18.954 -0.000 0.000) 18.954 11.120 ( 2.401 0.000 -0.000) 2.401 11.134 ( -15.148 -0.000 0.000) 15.148 11.470 ( -5.073 -0.000 0.000) 5.073 11.935 ( -20.617 -0.000 0.000) 20.617 12.023 ( 11.657 0.000 -0.000) 11.657 12.033 ( -10.897 -0.000 0.000) 10.897 12.131 ( 3.258 0.000 -0.000) 3.258 12.385 ( 8.700 0.000 -0.000) 8.700 12.483 ( -0.999 -0.000 0.000) 0.999 12.725 ( 1.423 0.000 -0.000) 1.423 13.200 ( -3.559 -0.000 0.000) 3.559 13.482 ( 11.487 0.000 -0.000) 11.487 13.629 ( 9.541 0.000 -0.000) 9.541 13.731 ( -5.842 -0.000 0.000) 5.842 13.805 ( -0.403 -0.000 0.000) 0.403 13.805 ( -4.685 -0.000 0.000) 4.685 13.993 ( 7.817 0.000 -0.000) 7.817 14.150 ( -3.836 -0.000 0.000) 3.836 14.373 ( -1.420 -0.000 0.000) 1.420 14.557 ( 1.394 0.000 -0.000) 1.394 14.750 ( -4.842 -0.000 0.000) 4.842 14.912 ( -13.253 -0.000 0.000) 13.253 14.917 ( -3.628 -0.000 0.000) 3.628 15.043 ( -1.691 -0.000 0.000) 1.691 15.050 ( -13.929 -0.000 0.000) 13.929 15.315 ( 2.896 0.000 -0.000) 2.896 15.334 ( -4.604 -0.000 0.000) 4.604 15.656 ( 0.053 0.000 -0.000) 0.053 15.717 ( -9.805 -0.000 0.000) 9.805 15.729 ( -3.254 -0.000 0.000) 3.254 15.814 ( 1.993 0.000 -0.000) 1.993 15.976 ( 3.492 0.000 -0.000) 3.492 16.488 ( 2.599 0.000 -0.000) 2.599 16.592 ( 2.165 0.000 -0.000) 2.165 16.653 ( -14.277 -0.000 0.000) 14.277 16.705 ( -1.951 -0.000 0.000) 1.951 16.884 ( 5.182 0.000 -0.000) 5.182 16.898 ( 3.653 0.000 -0.000) 3.653 17.134 ( 7.329 0.000 -0.000) 7.329 17.283 ( -3.518 -0.000 0.000) 3.518 17.581 ( -2.091 -0.000 0.000) 2.091 17.602 ( 3.560 0.000 -0.000) 3.560 17.809 ( 7.568 0.000 -0.000) 7.568 17.886 ( 0.722 0.000 -0.000) 0.722 18.594 ( 4.102 0.000 -0.000) 4.102 18.924 ( 23.344 0.000 -0.000) 23.344 19.396 ( 14.152 0.000 -0.000) 14.152 19.996 ( -2.290 -0.000 0.000) 2.290 21.171 ( -9.339 -0.000 0.000) 9.339 ======================= Grid point 136 (69/72) ======================= q-point: ( 0.38 0.38 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 0.000 -0.000 19.110) 19.110 1.675 ( 0.000 -0.000 17.636) 17.636 1.803 ( -0.000 0.000 -1.619) 1.619 1.899 ( 0.000 -0.000 6.584) 6.584 2.286 ( -0.000 0.000 -6.097) 6.097 2.320 ( -0.000 0.000 -9.581) 9.581 2.531 ( -0.000 0.000 -1.528) 1.528 2.601 ( 0.000 -0.000 10.450) 10.450 2.667 ( 0.000 -0.000 30.607) 30.607 2.990 ( -0.000 0.000 -8.671) 8.671 3.184 ( 0.000 -0.000 3.123) 3.123 3.420 ( -0.000 0.000 -6.368) 6.368 3.572 ( -0.000 0.000 -8.982) 8.982 3.793 ( 0.000 -0.000 9.629) 9.629 3.832 ( -0.000 0.000 -3.676) 3.676 4.296 ( -0.000 0.000 -4.703) 4.703 4.558 ( 0.000 -0.000 6.911) 6.911 5.042 ( -0.000 0.000 -14.070) 14.070 5.524 ( -0.000 0.000 -12.612) 12.612 5.963 ( 0.000 -0.000 5.293) 5.293 6.050 ( -0.000 0.000 -4.207) 4.207 6.384 ( -0.000 0.000 -1.676) 1.676 6.509 ( -0.000 0.000 -1.509) 1.509 6.612 ( -0.000 0.000 -0.070) 0.070 6.637 ( -0.000 0.000 -5.189) 5.189 6.824 ( 0.000 -0.000 6.140) 6.140 6.847 ( -0.000 0.000 -7.224) 7.224 6.976 ( 0.000 -0.000 2.979) 2.979 7.150 ( -0.000 0.000 -0.925) 0.925 7.244 ( -0.000 0.000 -4.675) 4.675 7.278 ( -0.000 0.000 -1.990) 1.990 7.618 ( -0.000 0.000 -1.060) 1.060 7.956 ( 0.000 -0.000 9.531) 9.531 8.059 ( 0.000 -0.000 2.149) 2.149 8.236 ( -0.000 0.000 -4.455) 4.455 8.273 ( 0.000 -0.000 1.198) 1.198 8.436 ( 0.000 -0.000 8.729) 8.729 8.700 ( 0.000 -0.000 1.532) 1.532 8.714 ( 0.000 -0.000 4.803) 4.803 9.033 ( -0.000 0.000 -6.891) 6.891 9.200 ( -0.000 0.000 -2.388) 2.388 9.288 ( 0.000 -0.000 4.271) 4.271 9.645 ( -0.000 0.000 -6.261) 6.261 9.941 ( 0.000 -0.000 5.836) 5.836 10.011 ( -0.000 0.000 -2.996) 2.996 10.048 ( 0.000 -0.000 2.741) 2.741 10.244 ( -0.000 0.000 -3.376) 3.376 10.279 ( 0.000 -0.000 10.736) 10.736 10.916 ( 0.000 -0.000 3.440) 3.440 11.083 ( 0.000 -0.000 1.339) 1.339 11.170 ( -0.000 0.000 -4.837) 4.837 11.200 ( -0.000 0.000 -12.572) 12.572 11.401 ( 0.000 -0.000 0.581) 0.581 11.676 ( 0.000 -0.000 7.529) 7.529 11.894 ( -0.000 0.000 -0.546) 0.546 12.423 ( 0.000 -0.000 5.350) 5.350 12.438 ( 0.000 -0.000 3.668) 3.668 12.499 ( -0.000 0.000 -1.595) 1.595 12.776 ( -0.000 0.000 -4.926) 4.926 12.836 ( -0.000 0.000 -6.085) 6.085 12.877 ( 0.000 -0.000 0.806) 0.806 13.014 ( -0.000 0.000 -4.592) 4.592 13.471 ( 0.000 -0.000 3.607) 3.607 13.747 ( 0.000 -0.000 3.126) 3.126 13.802 ( -0.000 0.000 -0.574) 0.574 13.897 ( 0.000 -0.000 1.485) 1.485 13.935 ( -0.000 0.000 -3.011) 3.011 14.276 ( -0.000 0.000 -2.029) 2.029 14.616 ( -0.000 0.000 -4.727) 4.727 14.659 ( -0.000 0.000 -2.635) 2.635 14.798 ( -0.000 0.000 -4.381) 4.381 15.070 ( 0.000 -0.000 3.301) 3.301 15.080 ( 0.000 -0.000 2.327) 2.327 15.165 ( 0.000 -0.000 2.312) 2.312 15.223 ( -0.000 0.000 -0.298) 0.298 15.227 ( -0.000 0.000 -0.185) 0.185 15.293 ( -0.000 0.000 -0.601) 0.601 15.622 ( 0.000 -0.000 1.809) 1.809 15.825 ( -0.000 0.000 -3.468) 3.468 15.898 ( -0.000 0.000 -0.675) 0.675 16.210 ( 0.000 -0.000 2.682) 2.682 16.450 ( -0.000 0.000 -1.200) 1.200 16.470 ( -0.000 0.000 -0.901) 0.901 16.543 ( 0.000 -0.000 5.751) 5.751 16.597 ( -0.000 0.000 -4.277) 4.277 16.794 ( -0.000 0.000 -0.545) 0.545 16.798 ( 0.000 -0.000 4.431) 4.431 16.885 ( -0.000 0.000 -0.624) 0.624 16.946 ( -0.000 0.000 -1.706) 1.706 17.206 ( -0.000 0.000 -5.515) 5.515 17.293 ( 0.000 -0.000 5.078) 5.078 17.495 ( 0.000 -0.000 0.544) 0.544 17.831 ( 0.000 -0.000 2.475) 2.475 17.864 ( -0.000 0.000 -6.681) 6.681 18.232 ( 0.000 -0.000 4.282) 4.282 18.350 ( 0.000 -0.000 4.024) 4.024 18.987 ( -0.000 0.000 -2.760) 2.760 20.096 ( -0.000 0.000 -0.294) 0.294 21.338 ( 0.000 -0.000 5.208) 5.208 ======================= Grid point 150 (70/72) ======================= q-point: (-0.42 -0.58 0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.759 ( 0.000 -1.414 -0.000) 1.414 1.901 ( -0.000 12.741 0.000) 12.741 1.913 ( -0.000 3.321 0.000) 3.321 1.972 ( -0.000 0.526 0.000) 0.526 2.163 ( 0.000 -5.586 -0.000) 5.586 2.212 ( -0.000 0.324 0.000) 0.324 2.523 ( -0.000 2.099 0.000) 2.099 2.685 ( 0.000 -6.436 -0.000) 6.436 2.767 ( 0.000 -5.754 -0.000) 5.754 3.015 ( 0.000 -1.858 -0.000) 1.858 3.265 ( -0.000 3.706 0.000) 3.706 3.275 ( 0.000 -11.696 -0.000) 11.696 3.326 ( 0.000 -1.065 -0.000) 1.065 3.929 ( 0.000 -0.080 -0.000) 0.080 4.004 ( -0.000 17.112 0.000) 17.112 4.227 ( -0.000 1.036 0.000) 1.036 4.737 ( -0.000 3.957 0.000) 3.957 4.959 ( -0.000 9.809 0.000) 9.809 5.356 ( 0.000 -2.729 -0.000) 2.729 6.055 ( -0.000 4.662 0.000) 4.662 6.134 ( -0.000 11.897 0.000) 11.897 6.319 ( 0.000 -21.808 -0.000) 21.808 6.440 ( -0.000 4.963 0.000) 4.963 6.527 ( 0.000 -7.426 -0.000) 7.426 6.581 ( -0.000 0.491 0.000) 0.491 6.671 ( 0.000 -2.788 -0.000) 2.788 6.706 ( 0.000 -5.407 -0.000) 5.407 7.095 ( 0.000 -3.756 -0.000) 3.756 7.218 ( -0.000 2.420 0.000) 2.420 7.237 ( -0.000 8.983 0.000) 8.983 7.254 ( -0.000 0.030 0.000) 0.030 7.660 ( -0.000 4.321 0.000) 4.321 7.980 ( 0.000 -8.259 -0.000) 8.259 8.181 ( 0.000 -0.753 -0.000) 0.753 8.195 ( -0.000 7.412 0.000) 7.412 8.205 ( 0.000 -9.599 -0.000) 9.599 8.434 ( 0.000 -5.507 -0.000) 5.507 8.560 ( 0.000 -10.712 -0.000) 10.712 8.648 ( 0.000 -5.319 -0.000) 5.319 8.963 ( -0.000 1.203 0.000) 1.203 9.159 ( 0.000 -2.207 -0.000) 2.207 9.437 ( -0.000 6.024 0.000) 6.024 9.506 ( 0.000 -7.208 -0.000) 7.208 9.976 ( 0.000 -1.151 -0.000) 1.151 10.020 ( 0.000 -0.133 -0.000) 0.133 10.145 ( 0.000 -5.870 -0.000) 5.870 10.151 ( -0.000 7.430 0.000) 7.430 10.522 ( -0.000 10.174 0.000) 10.174 10.886 ( 0.000 -6.841 -0.000) 6.841 11.070 ( -0.000 0.471 0.000) 0.471 11.175 ( -0.000 12.456 0.000) 12.456 11.196 ( -0.000 4.342 0.000) 4.342 11.394 ( 0.000 -1.166 -0.000) 1.166 11.804 ( -0.000 3.718 0.000) 3.718 11.854 ( 0.000 -3.360 -0.000) 3.360 12.418 ( 0.000 -3.813 -0.000) 3.813 12.443 ( 0.000 -2.907 -0.000) 2.907 12.548 ( -0.000 1.852 0.000) 1.852 12.755 ( -0.000 4.509 0.000) 4.509 12.773 ( -0.000 0.336 0.000) 0.336 12.899 ( -0.000 1.345 0.000) 1.345 12.939 ( 0.000 -1.395 -0.000) 1.395 13.445 ( 0.000 -4.722 -0.000) 4.722 13.705 ( 0.000 -3.074 -0.000) 3.074 13.838 ( 0.000 -3.528 -0.000) 3.528 13.915 ( -0.000 0.197 0.000) 0.197 14.004 ( -0.000 12.964 0.000) 12.964 14.359 ( -0.000 5.410 0.000) 5.410 14.532 ( 0.000 -1.833 -0.000) 1.833 14.639 ( -0.000 0.731 0.000) 0.731 14.696 ( 0.000 -5.170 -0.000) 5.170 15.093 ( 0.000 -1.056 -0.000) 1.056 15.093 ( 0.000 -1.168 -0.000) 1.168 15.164 ( 0.000 -4.993 -0.000) 4.993 15.226 ( -0.000 1.863 0.000) 1.863 15.228 ( -0.000 0.254 0.000) 0.254 15.282 ( 0.000 -0.463 -0.000) 0.463 15.652 ( -0.000 0.332 0.000) 0.332 15.710 ( 0.000 -9.825 -0.000) 9.825 15.786 ( -0.000 0.629 0.000) 0.629 16.228 ( 0.000 -1.152 -0.000) 1.152 16.367 ( 0.000 -2.162 -0.000) 2.162 16.422 ( 0.000 -11.298 -0.000) 11.298 16.488 ( -0.000 2.482 0.000) 2.482 16.670 ( -0.000 4.133 0.000) 4.133 16.772 ( 0.000 -1.517 -0.000) 1.517 16.892 ( -0.000 0.181 0.000) 0.181 16.904 ( -0.000 2.648 0.000) 2.648 16.973 ( -0.000 4.071 0.000) 4.071 17.151 ( -0.000 0.228 0.000) 0.228 17.425 ( 0.000 -1.038 -0.000) 1.038 17.630 ( -0.000 11.269 0.000) 11.269 17.855 ( -0.000 12.164 0.000) 12.164 17.981 ( -0.000 4.919 0.000) 4.919 18.354 ( 0.000 -3.294 -0.000) 3.294 18.359 ( -0.000 12.062 0.000) 12.062 18.915 ( 0.000 -3.500 -0.000) 3.500 20.014 ( 0.000 -6.920 -0.000) 6.920 21.290 ( 0.000 -9.394 -0.000) 9.394 ======================= Grid point 154 (71/72) ======================= q-point: ( 0.43 0.57 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 10.247 0.000 -0.000) 10.247 1.908 ( 12.502 0.000 -0.000) 12.502 1.918 ( 4.616 0.000 -0.000) 4.616 1.954 ( -1.731 -0.000 0.000) 1.731 2.171 ( -1.119 -0.000 0.000) 1.119 2.197 ( -2.748 -0.000 0.000) 2.748 2.518 ( -0.321 -0.000 0.000) 0.321 2.739 ( -0.612 -0.000 0.000) 0.612 2.859 ( 0.380 0.000 -0.000) 0.380 3.095 ( 5.558 0.000 -0.000) 5.558 3.135 ( -7.907 -0.000 0.000) 7.907 3.341 ( 0.275 0.000 -0.000) 0.275 3.400 ( -2.535 -0.000 0.000) 2.535 3.811 ( 1.896 0.000 -0.000) 1.896 3.918 ( -1.059 -0.000 0.000) 1.059 4.234 ( 1.592 0.000 -0.000) 1.592 4.682 ( 1.515 0.000 -0.000) 1.515 4.814 ( -4.382 -0.000 0.000) 4.382 5.435 ( 4.202 0.000 -0.000) 4.202 5.962 ( -4.325 -0.000 0.000) 4.325 6.026 ( 1.654 0.000 -0.000) 1.654 6.352 ( -7.749 -0.000 0.000) 7.749 6.392 ( -14.722 -0.000 0.000) 14.722 6.398 ( 1.757 0.000 -0.000) 1.757 6.627 ( 0.240 0.000 -0.000) 0.240 6.774 ( 1.200 0.000 -0.000) 1.200 6.868 ( -2.643 -0.000 0.000) 2.643 7.143 ( 10.791 0.000 -0.000) 10.791 7.287 ( 2.982 0.000 -0.000) 2.982 7.338 ( 14.394 0.000 -0.000) 14.394 7.466 ( 24.969 0.000 -0.000) 24.969 7.478 ( -8.886 -0.000 0.000) 8.886 7.882 ( -12.726 -0.000 0.000) 12.726 8.150 ( -2.962 -0.000 0.000) 2.962 8.324 ( 19.960 0.000 -0.000) 19.960 8.332 ( 3.671 0.000 -0.000) 3.671 8.388 ( -13.352 -0.000 0.000) 13.352 8.805 ( 3.486 0.000 -0.000) 3.486 8.813 ( -7.269 -0.000 0.000) 7.269 8.962 ( 14.071 0.000 -0.000) 14.071 9.326 ( 14.627 0.000 -0.000) 14.627 9.412 ( 8.787 0.000 -0.000) 8.787 9.624 ( 2.635 0.000 -0.000) 2.635 9.647 ( -27.729 -0.000 0.000) 27.729 9.921 ( -9.620 -0.000 0.000) 9.620 10.004 ( -6.455 -0.000 0.000) 6.455 10.183 ( -2.642 -0.000 0.000) 2.642 10.297 ( -8.014 -0.000 0.000) 8.014 10.676 ( -22.138 -0.000 0.000) 22.138 11.004 ( -9.813 -0.000 0.000) 9.813 11.085 ( 1.360 0.000 -0.000) 1.360 11.339 ( -6.642 -0.000 0.000) 6.642 11.359 ( 15.205 0.000 -0.000) 15.205 11.827 ( 7.011 0.000 -0.000) 7.011 12.008 ( 9.048 0.000 -0.000) 9.048 12.246 ( -14.307 -0.000 0.000) 14.307 12.401 ( -24.373 -0.000 0.000) 24.373 12.402 ( -6.419 -0.000 0.000) 6.419 12.497 ( -0.403 -0.000 0.000) 0.403 12.707 ( 0.489 0.000 -0.000) 0.489 13.103 ( 12.938 0.000 -0.000) 12.938 13.225 ( 14.598 0.000 -0.000) 14.598 13.513 ( 1.611 0.000 -0.000) 1.611 13.806 ( 0.343 0.000 -0.000) 0.343 13.844 ( -4.746 -0.000 0.000) 4.746 13.858 ( 5.665 0.000 -0.000) 5.665 13.882 ( -2.904 -0.000 0.000) 2.904 14.225 ( -3.185 -0.000 0.000) 3.185 14.487 ( -9.287 -0.000 0.000) 9.287 14.545 ( -0.281 -0.000 0.000) 0.281 14.802 ( 0.247 0.000 -0.000) 0.247 15.021 ( -6.363 -0.000 0.000) 6.363 15.078 ( -1.886 -0.000 0.000) 1.886 15.125 ( -7.883 -0.000 0.000) 7.883 15.247 ( 3.540 0.000 -0.000) 3.540 15.258 ( -5.346 -0.000 0.000) 5.346 15.291 ( 5.511 0.000 -0.000) 5.511 15.651 ( 0.309 0.000 -0.000) 0.309 15.788 ( 0.738 0.000 -0.000) 0.738 15.917 ( 2.324 0.000 -0.000) 2.324 15.982 ( -18.248 -0.000 0.000) 18.248 16.042 ( -24.168 -0.000 0.000) 24.168 16.449 ( 1.283 0.000 -0.000) 1.283 16.562 ( 0.927 0.000 -0.000) 0.927 16.702 ( 7.753 0.000 -0.000) 7.753 16.738 ( -1.871 -0.000 0.000) 1.871 16.825 ( 3.334 0.000 -0.000) 3.334 16.998 ( 5.869 0.000 -0.000) 5.869 17.001 ( -13.136 -0.000 0.000) 13.136 17.330 ( -1.433 -0.000 0.000) 1.433 17.395 ( 19.902 0.000 -0.000) 19.902 17.563 ( 5.821 0.000 -0.000) 5.821 17.729 ( -2.776 -0.000 0.000) 2.776 17.867 ( 0.986 0.000 -0.000) 0.986 18.460 ( 19.131 0.000 -0.000) 19.131 18.486 ( 6.619 0.000 -0.000) 6.619 19.107 ( 13.562 0.000 -0.000) 13.562 20.059 ( -3.065 -0.000 0.000) 3.065 21.329 ( -6.163 -0.000 0.000) 6.163 ======================= Grid point 182 (72/72) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.758 ( -0.000 0.000 -0.000) 0.000 1.773 ( -0.000 -0.000 -0.000) 0.000 1.875 ( 0.000 0.000 -0.000) 0.000 1.968 ( 0.000 0.000 -0.000) 0.000 2.182 ( -0.000 0.000 -0.000) 0.000 2.221 ( -0.000 -0.000 -0.000) 0.000 2.522 ( 0.000 -0.000 -0.000) 0.000 2.750 ( 0.000 -0.000 -0.000) 0.000 2.862 ( -0.000 0.000 -0.000) 0.000 3.032 ( -0.000 -0.000 0.000) 0.000 3.216 ( -0.000 -0.000 -0.000) 0.000 3.341 ( 0.000 -0.000 -0.000) 0.000 3.419 ( -0.000 0.000 -0.000) 0.000 3.793 ( 0.000 0.000 -0.000) 0.000 3.928 ( -0.000 -0.000 -0.000) 0.000 4.217 ( -0.000 -0.000 -0.000) 0.000 4.666 ( -0.000 0.000 0.000) 0.000 4.859 ( 0.000 -0.000 -0.000) 0.000 5.391 ( -0.000 0.000 -0.000) 0.000 6.006 ( -0.000 -0.000 -0.000) 0.000 6.009 ( 0.000 0.000 -0.000) 0.000 6.385 ( -0.000 -0.000 -0.000) 0.000 6.493 ( 0.000 -0.000 -0.000) 0.000 6.576 ( 0.000 0.000 -0.000) 0.000 6.616 ( -0.000 0.000 -0.000) 0.000 6.765 ( -0.000 0.000 -0.000) 0.000 6.885 ( -0.000 -0.000 -0.000) 0.000 7.013 ( 0.000 0.000 -0.000) 0.000 7.146 ( 0.000 -0.000 -0.000) 0.000 7.190 ( -0.000 -0.000 -0.000) 0.000 7.255 ( -0.000 0.000 -0.000) 0.000 7.607 ( -0.000 0.000 -0.000) 0.000 8.057 ( 0.000 0.000 -0.000) 0.000 8.081 ( 0.000 -0.000 -0.000) 0.000 8.190 ( -0.000 -0.000 -0.000) 0.000 8.286 ( -0.000 -0.000 -0.000) 0.000 8.536 ( -0.000 0.000 -0.000) 0.000 8.716 ( -0.000 -0.000 -0.000) 0.000 8.767 ( -0.000 0.000 -0.000) 0.000 8.949 ( -0.000 0.000 -0.000) 0.000 9.174 ( -0.000 -0.000 -0.000) 0.000 9.334 ( 0.000 0.000 -0.000) 0.000 9.582 ( 0.000 0.000 -0.000) 0.000 9.981 ( 0.000 -0.000 -0.000) 0.000 10.021 ( -0.000 -0.000 -0.000) 0.000 10.053 ( -0.000 -0.000 0.000) 0.000 10.207 ( -0.000 0.000 -0.000) 0.000 10.413 ( -0.000 -0.000 -0.000) 0.000 10.925 ( -0.000 0.000 -0.000) 0.000 11.070 ( -0.000 0.000 -0.000) 0.000 11.092 ( 0.000 0.000 -0.000) 0.000 11.123 ( 0.000 -0.000 -0.000) 0.000 11.405 ( 0.000 0.000 -0.000) 0.000 11.763 ( 0.000 0.000 -0.000) 0.000 11.889 ( -0.000 -0.000 -0.000) 0.000 12.475 ( -0.000 -0.000 -0.000) 0.000 12.482 ( -0.000 -0.000 -0.000) 0.000 12.500 ( 0.000 -0.000 -0.000) 0.000 12.703 ( 0.000 0.000 -0.000) 0.000 12.768 ( 0.000 0.000 -0.000) 0.000 12.884 ( 0.000 0.000 -0.000) 0.000 12.964 ( 0.000 -0.000 -0.000) 0.000 13.502 ( 0.000 0.000 -0.000) 0.000 13.796 ( 0.000 -0.000 -0.000) 0.000 13.800 ( -0.000 0.000 -0.000) 0.000 13.898 ( -0.000 -0.000 -0.000) 0.000 13.912 ( 0.000 0.000 -0.000) 0.000 14.258 ( 0.000 0.000 -0.000) 0.000 14.552 ( -0.000 0.000 -0.000) 0.000 14.632 ( 0.000 0.000 -0.000) 0.000 14.761 ( -0.000 0.000 -0.000) 0.000 15.104 ( 0.000 0.000 -0.000) 0.000 15.108 ( -0.000 0.000 -0.000) 0.000 15.203 ( -0.000 -0.000 0.000) 0.000 15.205 ( -0.000 -0.000 -0.000) 0.000 15.225 ( 0.000 -0.000 -0.000) 0.000 15.287 ( 0.000 0.000 -0.000) 0.000 15.648 ( 0.000 0.000 -0.000) 0.000 15.781 ( 0.000 0.000 -0.000) 0.000 15.892 ( 0.000 0.000 -0.000) 0.000 16.241 ( 0.000 0.000 -0.000) 0.000 16.438 ( 0.000 0.000 -0.000) 0.000 16.457 ( 0.000 0.000 -0.000) 0.000 16.554 ( -0.000 -0.000 -0.000) 0.000 16.566 ( -0.000 -0.000 -0.000) 0.000 16.788 ( 0.000 0.000 -0.000) 0.000 16.874 ( -0.000 -0.000 -0.000) 0.000 16.880 ( 0.000 0.000 -0.000) 0.000 16.952 ( 0.000 -0.000 -0.000) 0.000 17.149 ( 0.000 -0.000 -0.000) 0.000 17.344 ( -0.000 0.000 -0.000) 0.000 17.474 ( 0.000 0.000 -0.000) 0.000 17.805 ( 0.000 0.000 -0.000) 0.000 17.856 ( 0.000 -0.000 -0.000) 0.000 18.275 ( 0.000 -0.000 -0.000) 0.000 18.390 ( 0.000 -0.000 -0.000) 0.000 18.955 ( 0.000 0.000 -0.000) 0.000 20.092 ( -0.000 -0.000 -0.000) 0.000 21.393 ( -0.000 0.000 -0.000) 0.000 =================== 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 3/33264 10.0 723.109 403.269 661.929 -0.000 0.000 -0.000 3/33264 20.0 106.753 56.742 107.952 -0.000 0.000 -0.000 3/33264 30.0 41.507 23.246 45.349 -0.000 0.000 -0.000 3/33264 40.0 23.664 13.552 26.345 -0.000 0.000 -0.000 3/33264 50.0 15.923 9.189 17.561 -0.000 0.000 -0.000 3/33264 60.0 11.717 6.780 12.693 -0.000 0.000 -0.000 3/33264 70.0 9.142 5.294 9.714 -0.000 0.000 -0.000 3/33264 80.0 7.441 4.308 7.760 -0.000 0.000 -0.000 3/33264 90.0 6.253 3.617 6.407 -0.000 0.000 -0.000 3/33264 100.0 5.386 3.110 5.427 -0.000 0.000 -0.000 3/33264 110.0 4.728 2.725 4.692 -0.000 0.000 -0.000 3/33264 120.0 4.215 2.423 4.124 -0.000 0.000 -0.000 3/33264 130.0 3.805 2.182 3.673 -0.000 0.000 -0.000 3/33264 140.0 3.469 1.985 3.309 -0.000 0.000 -0.000 3/33264 150.0 3.189 1.821 3.008 -0.000 0.000 -0.000 3/33264 160.0 2.953 1.683 2.757 -0.000 0.000 -0.000 3/33264 170.0 2.751 1.565 2.545 -0.000 0.000 -0.000 3/33264 180.0 2.576 1.464 2.362 -0.000 0.000 -0.000 3/33264 190.0 2.423 1.375 2.204 -0.000 0.000 -0.000 3/33264 200.0 2.288 1.298 2.066 -0.000 0.000 -0.000 3/33264 210.0 2.168 1.229 1.945 -0.000 0.000 -0.000 3/33264 220.0 2.060 1.167 1.837 -0.000 0.000 -0.000 3/33264 230.0 1.964 1.112 1.741 -0.000 0.000 -0.000 3/33264 240.0 1.876 1.062 1.655 -0.000 0.000 -0.000 3/33264 250.0 1.796 1.017 1.577 -0.000 0.000 -0.000 3/33264 260.0 1.723 0.975 1.506 -0.000 0.000 -0.000 3/33264 270.0 1.656 0.937 1.442 -0.000 0.000 -0.000 3/33264 280.0 1.594 0.902 1.383 -0.000 0.000 -0.000 3/33264 290.0 1.537 0.870 1.329 -0.000 0.000 -0.000 3/33264 300.0 1.484 0.840 1.279 -0.000 0.000 -0.000 3/33264 310.0 1.435 0.812 1.232 -0.000 0.000 -0.000 3/33264 320.0 1.389 0.787 1.189 -0.000 0.000 -0.000 3/33264 330.0 1.346 0.762 1.149 -0.000 0.000 -0.000 3/33264 340.0 1.305 0.740 1.112 -0.000 0.000 -0.000 3/33264 350.0 1.267 0.718 1.077 -0.000 0.000 -0.000 3/33264 360.0 1.231 0.698 1.045 -0.000 0.000 -0.000 3/33264 370.0 1.197 0.679 1.014 -0.000 0.000 -0.000 3/33264 380.0 1.165 0.661 0.985 -0.000 0.000 -0.000 3/33264 390.0 1.135 0.644 0.958 -0.000 0.000 -0.000 3/33264 400.0 1.107 0.628 0.932 -0.000 0.000 -0.000 3/33264 410.0 1.079 0.613 0.908 -0.000 0.000 -0.000 3/33264 420.0 1.053 0.598 0.885 -0.000 0.000 -0.000 3/33264 430.0 1.029 0.584 0.863 -0.000 0.000 -0.000 3/33264 440.0 1.005 0.571 0.842 -0.000 0.000 -0.000 3/33264 450.0 0.983 0.559 0.822 -0.000 0.000 -0.000 3/33264 460.0 0.961 0.546 0.803 -0.000 0.000 -0.000 3/33264 470.0 0.941 0.535 0.785 -0.000 0.000 -0.000 3/33264 480.0 0.921 0.524 0.768 -0.000 0.000 -0.000 3/33264 490.0 0.902 0.513 0.752 -0.000 0.000 -0.000 3/33264 500.0 0.884 0.503 0.736 -0.000 0.000 -0.000 3/33264 510.0 0.867 0.493 0.721 -0.000 0.000 -0.000 3/33264 520.0 0.850 0.484 0.706 -0.000 0.000 -0.000 3/33264 530.0 0.834 0.475 0.693 -0.000 0.000 -0.000 3/33264 540.0 0.819 0.466 0.679 -0.000 0.000 -0.000 3/33264 550.0 0.804 0.458 0.666 -0.000 0.000 -0.000 3/33264 560.0 0.789 0.450 0.654 -0.000 0.000 -0.000 3/33264 570.0 0.776 0.442 0.642 -0.000 0.000 -0.000 3/33264 580.0 0.762 0.434 0.631 -0.000 0.000 -0.000 3/33264 590.0 0.749 0.427 0.620 -0.000 0.000 -0.000 3/33264 600.0 0.737 0.420 0.609 -0.000 0.000 -0.000 3/33264 610.0 0.725 0.413 0.599 -0.000 0.000 -0.000 3/33264 620.0 0.713 0.407 0.589 -0.000 0.000 -0.000 3/33264 630.0 0.702 0.400 0.579 -0.000 0.000 -0.000 3/33264 640.0 0.691 0.394 0.570 -0.000 0.000 -0.000 3/33264 650.0 0.680 0.388 0.561 -0.000 0.000 -0.000 3/33264 660.0 0.670 0.382 0.552 -0.000 0.000 -0.000 3/33264 670.0 0.660 0.376 0.544 -0.000 0.000 -0.000 3/33264 680.0 0.650 0.371 0.535 -0.000 0.000 -0.000 3/33264 690.0 0.641 0.366 0.528 -0.000 0.000 -0.000 3/33264 700.0 0.632 0.360 0.520 -0.000 0.000 -0.000 3/33264 710.0 0.623 0.355 0.512 -0.000 0.000 -0.000 3/33264 720.0 0.614 0.351 0.505 -0.000 0.000 -0.000 3/33264 730.0 0.606 0.346 0.498 -0.000 0.000 -0.000 3/33264 740.0 0.598 0.341 0.491 -0.000 0.000 -0.000 3/33264 750.0 0.590 0.337 0.484 -0.000 0.000 -0.000 3/33264 760.0 0.582 0.332 0.478 -0.000 0.000 -0.000 3/33264 770.0 0.574 0.328 0.472 -0.000 0.000 -0.000 3/33264 780.0 0.567 0.324 0.465 -0.000 0.000 -0.000 3/33264 790.0 0.560 0.320 0.459 -0.000 0.000 -0.000 3/33264 800.0 0.553 0.316 0.454 -0.000 0.000 -0.000 3/33264 810.0 0.546 0.312 0.448 -0.000 0.000 -0.000 3/33264 820.0 0.539 0.308 0.442 -0.000 0.000 -0.000 3/33264 830.0 0.533 0.305 0.437 -0.000 0.000 -0.000 3/33264 840.0 0.527 0.301 0.432 -0.000 0.000 -0.000 3/33264 850.0 0.521 0.297 0.427 -0.000 0.000 -0.000 3/33264 860.0 0.514 0.294 0.422 -0.000 0.000 -0.000 3/33264 870.0 0.509 0.291 0.417 -0.000 0.000 -0.000 3/33264 880.0 0.503 0.287 0.412 -0.000 0.000 -0.000 3/33264 890.0 0.497 0.284 0.407 -0.000 0.000 -0.000 3/33264 900.0 0.492 0.281 0.403 -0.000 0.000 -0.000 3/33264 910.0 0.486 0.278 0.398 -0.000 0.000 -0.000 3/33264 920.0 0.481 0.275 0.394 -0.000 0.000 -0.000 3/33264 930.0 0.476 0.272 0.389 -0.000 0.000 -0.000 3/33264 940.0 0.471 0.269 0.385 -0.000 0.000 -0.000 3/33264 950.0 0.466 0.266 0.381 -0.000 0.000 -0.000 3/33264 960.0 0.461 0.264 0.377 -0.000 0.000 -0.000 3/33264 970.0 0.456 0.261 0.373 -0.000 0.000 -0.000 3/33264 980.0 0.452 0.258 0.369 -0.000 0.000 -0.000 3/33264 990.0 0.447 0.256 0.365 -0.000 0.000 -0.000 3/33264 1000.0 0.443 0.253 0.362 -0.000 0.000 -0.000 3/33264 Thermal conductivity related properties were written into "kappa-m12168.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:45:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|