----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:55:03]------------------------- 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 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.541558758204575 0.000000000000000 0.000000000000000 b 0.000000000000000 6.783055330000000 0.000000000000000 c -5.808168928311341 0.000000000000000 17.647234453518070 Atomic positions (fractional): *1 Cs 0.73044692414305 0.74535046193486 0.46760911586463 132.905 2 Cs 0.26955307585695 0.25464953806514 0.53239088413537 132.905 3 Cs 0.73044692414305 0.75464953806514 0.96760911586463 132.905 4 Cs 0.26955307585695 0.24535046193486 0.03239088413537 132.905 *5 Ge 0.21067629774229 0.77035433265893 0.66478780182115 72.640 6 Ge 0.21067629774229 0.72964566734107 0.16478780182114 72.640 7 Ge 0.78932370225770 0.27035433265893 0.83521219817885 72.640 8 Ge 0.78932370225770 0.22964566734107 0.33521219817886 72.640 *9 Bi 0.23480564375228 0.28178669671552 0.27567378271556 208.980 10 Bi 0.76519435624772 0.78178669671552 0.22432621728444 208.980 11 Bi 0.76519435624772 0.71821330328448 0.72432621728444 208.980 12 Bi 0.23480564375228 0.21821330328448 0.77567378271556 208.980 *13 S 0.02986106151378 0.98921560011465 0.35731972654821 32.065 *14 S 0.41573960124482 0.74081802049921 0.09088362919317 32.065 *15 S 0.00688537796878 0.50276362056278 0.65197191498529 32.065 *16 S 0.42208483744105 0.66648267393698 0.28227472545002 32.065 17 S 0.02986106151378 0.51078439988535 0.85731972654821 32.065 18 S 0.58426039875518 0.24081802049921 0.40911637080683 32.065 19 S 0.41573960124482 0.75918197950079 0.59088362919317 32.065 20 S 0.57791516255895 0.16648267393698 0.21772527454998 32.065 21 S 0.58426039875518 0.25918197950079 0.90911637080683 32.065 22 S 0.97013893848622 0.01078439988535 0.64268027345179 32.065 23 S 0.42208483744105 0.83351732606302 0.78227472545002 32.065 24 S 0.57791516255895 0.33351732606302 0.71772527454998 32.065 25 S 0.97013893848622 0.48921560011465 0.14268027345179 32.065 26 S 0.99311462203122 0.49723637943722 0.34802808501471 32.065 27 S 0.00688537796878 0.99723637943722 0.15197191498529 32.065 28 S 0.99311462203122 0.00276362056278 0.84802808501471 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.541558758204575 0.000000000000000 0.000000000000000 b 0.000000000000000 6.783055330000000 0.000000000000000 c -5.808168928311341 0.000000000000000 17.647234453518070 Atomic positions (fractional): *1 Cs 0.73044692414305 0.74535046193486 0.46760911586463 132.905 > 1 2 Cs 0.26955307585695 0.25464953806514 0.53239088413537 132.905 > 2 3 Cs 0.73044692414305 0.75464953806514 0.96760911586463 132.905 > 3 4 Cs 0.26955307585695 0.24535046193486 0.03239088413537 132.905 > 4 *5 Ge 0.21067629774229 0.77035433265893 0.66478780182115 72.640 > 5 6 Ge 0.21067629774229 0.72964566734107 0.16478780182114 72.640 > 6 7 Ge 0.78932370225770 0.27035433265893 0.83521219817885 72.640 > 7 8 Ge 0.78932370225770 0.22964566734107 0.33521219817886 72.640 > 8 *9 Bi 0.23480564375228 0.28178669671552 0.27567378271556 208.980 > 9 10 Bi 0.76519435624772 0.78178669671552 0.22432621728444 208.980 > 10 11 Bi 0.76519435624772 0.71821330328448 0.72432621728444 208.980 > 11 12 Bi 0.23480564375228 0.21821330328448 0.77567378271556 208.980 > 12 *13 S 0.02986106151378 0.98921560011465 0.35731972654821 32.065 > 13 *14 S 0.41573960124482 0.74081802049921 0.09088362919317 32.065 > 14 *15 S 0.00688537796878 0.50276362056278 0.65197191498529 32.065 > 15 *16 S 0.42208483744105 0.66648267393698 0.28227472545002 32.065 > 16 17 S 0.02986106151378 0.51078439988535 0.85731972654821 32.065 > 17 18 S 0.58426039875518 0.24081802049921 0.40911637080683 32.065 > 18 19 S 0.41573960124482 0.75918197950079 0.59088362919317 32.065 > 19 20 S 0.57791516255895 0.16648267393698 0.21772527454998 32.065 > 20 21 S 0.58426039875518 0.25918197950079 0.90911637080683 32.065 > 21 22 S 0.97013893848622 0.01078439988535 0.64268027345179 32.065 > 22 23 S 0.42208483744105 0.83351732606302 0.78227472545002 32.065 > 23 24 S 0.57791516255895 0.33351732606302 0.71772527454998 32.065 > 24 25 S 0.97013893848622 0.48921560011465 0.14268027345179 32.065 > 25 26 S 0.99311462203122 0.49723637943722 0.34802808501471 32.065 > 26 27 S 0.00688537796878 0.99723637943722 0.15197191498529 32.065 > 27 28 S 0.99311462203122 0.00276362056278 0.84802808501471 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.083117516409150 0.000000000000000 0.000000000000000 b 0.000000000000000 13.566110660000000 0.000000000000000 c -5.808168928311341 0.000000000000000 17.647234453518070 Atomic positions (fractional): *1 Cs 0.36522346207153 0.37267523096743 0.46760911586463 132.905 > 1 2 Cs 0.86522346207153 0.37267523096743 0.46760911586463 132.905 > 1 3 Cs 0.36522346207153 0.87267523096743 0.46760911586463 132.905 > 1 4 Cs 0.86522346207153 0.87267523096743 0.46760911586463 132.905 > 1 5 Cs 0.13477653792847 0.12732476903257 0.53239088413537 132.905 > 2 6 Cs 0.63477653792847 0.12732476903257 0.53239088413537 132.905 > 2 7 Cs 0.13477653792847 0.62732476903257 0.53239088413537 132.905 > 2 8 Cs 0.63477653792847 0.62732476903257 0.53239088413537 132.905 > 2 9 Cs 0.36522346207153 0.37732476903257 0.96760911586463 132.905 > 3 10 Cs 0.86522346207153 0.37732476903257 0.96760911586463 132.905 > 3 11 Cs 0.36522346207153 0.87732476903257 0.96760911586463 132.905 > 3 12 Cs 0.86522346207153 0.87732476903257 0.96760911586463 132.905 > 3 13 Cs 0.13477653792847 0.12267523096743 0.03239088413537 132.905 > 4 14 Cs 0.63477653792847 0.12267523096743 0.03239088413537 132.905 > 4 15 Cs 0.13477653792847 0.62267523096743 0.03239088413537 132.905 > 4 16 Cs 0.63477653792847 0.62267523096743 0.03239088413537 132.905 > 4 *17 Ge 0.10533814887115 0.38517716632946 0.66478780182115 72.640 > 5 18 Ge 0.60533814887115 0.38517716632946 0.66478780182115 72.640 > 5 19 Ge 0.10533814887115 0.88517716632946 0.66478780182115 72.640 > 5 20 Ge 0.60533814887115 0.88517716632946 0.66478780182115 72.640 > 5 21 Ge 0.10533814887115 0.36482283367054 0.16478780182114 72.640 > 6 22 Ge 0.60533814887115 0.36482283367054 0.16478780182114 72.640 > 6 23 Ge 0.10533814887115 0.86482283367054 0.16478780182114 72.640 > 6 24 Ge 0.60533814887115 0.86482283367054 0.16478780182114 72.640 > 6 25 Ge 0.39466185112885 0.13517716632946 0.83521219817885 72.640 > 7 26 Ge 0.89466185112885 0.13517716632946 0.83521219817885 72.640 > 7 27 Ge 0.39466185112885 0.63517716632946 0.83521219817885 72.640 > 7 28 Ge 0.89466185112885 0.63517716632946 0.83521219817885 72.640 > 7 29 Ge 0.39466185112885 0.11482283367054 0.33521219817886 72.640 > 8 30 Ge 0.89466185112885 0.11482283367054 0.33521219817886 72.640 > 8 31 Ge 0.39466185112885 0.61482283367054 0.33521219817886 72.640 > 8 32 Ge 0.89466185112885 0.61482283367054 0.33521219817886 72.640 > 8 *33 Bi 0.11740282187614 0.14089334835776 0.27567378271556 208.980 > 9 34 Bi 0.61740282187614 0.14089334835776 0.27567378271556 208.980 > 9 35 Bi 0.11740282187614 0.64089334835776 0.27567378271556 208.980 > 9 36 Bi 0.61740282187614 0.64089334835776 0.27567378271556 208.980 > 9 37 Bi 0.38259717812386 0.39089334835776 0.22432621728444 208.980 > 10 38 Bi 0.88259717812386 0.39089334835776 0.22432621728444 208.980 > 10 39 Bi 0.38259717812386 0.89089334835776 0.22432621728444 208.980 > 10 40 Bi 0.88259717812386 0.89089334835776 0.22432621728444 208.980 > 10 41 Bi 0.38259717812386 0.35910665164224 0.72432621728444 208.980 > 11 42 Bi 0.88259717812386 0.35910665164224 0.72432621728444 208.980 > 11 43 Bi 0.38259717812386 0.85910665164224 0.72432621728444 208.980 > 11 44 Bi 0.88259717812386 0.85910665164224 0.72432621728444 208.980 > 11 45 Bi 0.11740282187614 0.10910665164224 0.77567378271556 208.980 > 12 46 Bi 0.61740282187614 0.10910665164224 0.77567378271556 208.980 > 12 47 Bi 0.11740282187614 0.60910665164224 0.77567378271556 208.980 > 12 48 Bi 0.61740282187614 0.60910665164224 0.77567378271556 208.980 > 12 *49 S 0.01493053075689 0.49460780005732 0.35731972654821 32.065 > 13 50 S 0.51493053075689 0.49460780005732 0.35731972654821 32.065 > 13 51 S 0.01493053075689 0.99460780005732 0.35731972654821 32.065 > 13 52 S 0.51493053075689 0.99460780005732 0.35731972654821 32.065 > 13 *53 S 0.20786980062241 0.37040901024960 0.09088362919317 32.065 > 14 54 S 0.70786980062241 0.37040901024960 0.09088362919317 32.065 > 14 55 S 0.20786980062241 0.87040901024960 0.09088362919317 32.065 > 14 56 S 0.70786980062241 0.87040901024960 0.09088362919317 32.065 > 14 *57 S 0.00344268898439 0.25138181028139 0.65197191498529 32.065 > 15 58 S 0.50344268898439 0.25138181028139 0.65197191498529 32.065 > 15 59 S 0.00344268898439 0.75138181028139 0.65197191498529 32.065 > 15 60 S 0.50344268898439 0.75138181028139 0.65197191498529 32.065 > 15 *61 S 0.21104241872052 0.33324133696849 0.28227472545002 32.065 > 16 62 S 0.71104241872052 0.33324133696849 0.28227472545002 32.065 > 16 63 S 0.21104241872052 0.83324133696849 0.28227472545002 32.065 > 16 64 S 0.71104241872052 0.83324133696849 0.28227472545002 32.065 > 16 65 S 0.01493053075689 0.25539219994268 0.85731972654821 32.065 > 17 66 S 0.51493053075689 0.25539219994268 0.85731972654821 32.065 > 17 67 S 0.01493053075689 0.75539219994268 0.85731972654821 32.065 > 17 68 S 0.51493053075689 0.75539219994268 0.85731972654821 32.065 > 17 69 S 0.29213019937759 0.12040901024961 0.40911637080683 32.065 > 18 70 S 0.79213019937759 0.12040901024961 0.40911637080683 32.065 > 18 71 S 0.29213019937759 0.62040901024961 0.40911637080683 32.065 > 18 72 S 0.79213019937759 0.62040901024961 0.40911637080683 32.065 > 18 73 S 0.20786980062241 0.37959098975040 0.59088362919317 32.065 > 19 74 S 0.70786980062241 0.37959098975040 0.59088362919317 32.065 > 19 75 S 0.20786980062241 0.87959098975040 0.59088362919317 32.065 > 19 76 S 0.70786980062241 0.87959098975040 0.59088362919317 32.065 > 19 77 S 0.28895758127948 0.08324133696849 0.21772527454998 32.065 > 20 78 S 0.78895758127948 0.08324133696849 0.21772527454998 32.065 > 20 79 S 0.28895758127948 0.58324133696849 0.21772527454998 32.065 > 20 80 S 0.78895758127948 0.58324133696849 0.21772527454998 32.065 > 20 81 S 0.29213019937759 0.12959098975040 0.90911637080683 32.065 > 21 82 S 0.79213019937759 0.12959098975040 0.90911637080683 32.065 > 21 83 S 0.29213019937759 0.62959098975040 0.90911637080683 32.065 > 21 84 S 0.79213019937759 0.62959098975040 0.90911637080683 32.065 > 21 85 S 0.48506946924311 0.00539219994268 0.64268027345179 32.065 > 22 86 S 0.98506946924311 0.00539219994268 0.64268027345179 32.065 > 22 87 S 0.48506946924311 0.50539219994268 0.64268027345179 32.065 > 22 88 S 0.98506946924311 0.50539219994268 0.64268027345179 32.065 > 22 89 S 0.21104241872052 0.41675866303151 0.78227472545002 32.065 > 23 90 S 0.71104241872052 0.41675866303151 0.78227472545002 32.065 > 23 91 S 0.21104241872052 0.91675866303151 0.78227472545002 32.065 > 23 92 S 0.71104241872052 0.91675866303151 0.78227472545002 32.065 > 23 93 S 0.28895758127948 0.16675866303151 0.71772527454998 32.065 > 24 94 S 0.78895758127948 0.16675866303151 0.71772527454998 32.065 > 24 95 S 0.28895758127948 0.66675866303151 0.71772527454998 32.065 > 24 96 S 0.78895758127948 0.66675866303151 0.71772527454998 32.065 > 24 97 S 0.48506946924311 0.24460780005732 0.14268027345179 32.065 > 25 98 S 0.98506946924311 0.24460780005732 0.14268027345179 32.065 > 25 99 S 0.48506946924311 0.74460780005732 0.14268027345179 32.065 > 25 100 S 0.98506946924311 0.74460780005732 0.14268027345179 32.065 > 25 101 S 0.49655731101561 0.24861818971861 0.34802808501471 32.065 > 26 102 S 0.99655731101561 0.24861818971861 0.34802808501471 32.065 > 26 103 S 0.49655731101561 0.74861818971861 0.34802808501471 32.065 > 26 104 S 0.99655731101561 0.74861818971861 0.34802808501471 32.065 > 26 105 S 0.00344268898439 0.49861818971861 0.15197191498529 32.065 > 27 106 S 0.50344268898439 0.49861818971861 0.15197191498529 32.065 > 27 107 S 0.00344268898439 0.99861818971861 0.15197191498529 32.065 > 27 108 S 0.50344268898439 0.99861818971861 0.15197191498529 32.065 > 27 109 S 0.49655731101561 0.00138181028139 0.84802808501471 32.065 > 28 110 S 0.99655731101561 0.00138181028139 0.84802808501471 32.065 > 28 111 S 0.49655731101561 0.50138181028139 0.84802808501471 32.065 > 28 112 S 0.99655731101561 0.50138181028139 0.84802808501471 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3858518 0.0000000 -0.1137088 0.0000000 7.2218567 0.0000000 -0.1137168 0.0000000 4.6726143 -------------------------- Born effective charges -------------------------- 1 Cs 1.1973315 -0.0180543 -0.1029954 0.0104943 1.3215363 0.0835057 -0.1107700 0.0404507 2.0589546 2 Cs 1.1973315 -0.0180543 -0.1029954 0.0104943 1.3215363 0.0835057 -0.1107700 0.0404507 2.0589546 3 Cs 1.1973315 0.0180543 -0.1029954 -0.0104943 1.3215363 -0.0835057 -0.1107700 -0.0404507 2.0589546 4 Cs 1.1973315 0.0180543 -0.1029954 -0.0104943 1.3215363 -0.0835057 -0.1107700 -0.0404507 2.0589546 5 Ge 3.6044198 0.3978023 0.0632477 0.1660634 2.4237110 1.0149169 -0.4225621 0.0976198 1.0549689 6 Ge 3.6044198 -0.3978023 0.0632477 -0.1660634 2.4237110 -1.0149169 -0.4225621 -0.0976198 1.0549689 7 Ge 3.6044198 -0.3978023 0.0632477 -0.1660634 2.4237110 -1.0149169 -0.4225621 -0.0976198 1.0549689 8 Ge 3.6044198 0.3978023 0.0632477 0.1660634 2.4237110 1.0149169 -0.4225621 0.0976198 1.0549689 9 Bi 5.8801665 0.4496403 0.0107205 -0.5040755 5.3725208 0.1611479 0.1651482 -0.2699788 2.5196720 10 Bi 5.8801665 -0.4496403 0.0107205 0.5040755 5.3725208 -0.1611479 0.1651482 0.2699788 2.5196720 11 Bi 5.8801665 0.4496403 0.0107205 -0.5040755 5.3725208 0.1611479 0.1651482 -0.2699788 2.5196720 12 Bi 5.8801665 -0.4496403 0.0107205 0.5040755 5.3725208 -0.1611479 0.1651482 0.2699788 2.5196720 13 S -2.2177056 -0.4524067 -0.1458440 -0.6050941 -2.6689137 -0.3920076 0.0578121 -0.1538307 -1.5080290 14 S -2.7443612 -0.0521126 -0.1498540 -0.3106049 -1.0890012 -0.1560801 -0.0221340 -0.0969247 -1.8890565 15 S -2.7055111 0.3932890 0.4086442 0.3908036 -2.9028568 0.2174857 0.2725823 0.0959270 -1.1304360 16 S -3.0143400 -1.1650571 -0.0839190 -1.0459577 -2.4569963 0.7444155 0.0599235 0.2764787 -1.1060739 17 S -2.2177056 0.4524067 -0.1458440 0.6050941 -2.6689137 0.3920076 0.0578121 0.1538307 -1.5080290 18 S -2.7443612 0.0521126 -0.1498540 0.3106049 -1.0890012 0.1560801 -0.0221340 0.0969247 -1.8890565 19 S -2.7443612 0.0521126 -0.1498540 0.3106049 -1.0890012 0.1560801 -0.0221340 0.0969247 -1.8890565 20 S -3.0143400 1.1650571 -0.0839190 1.0459577 -2.4569963 -0.7444155 0.0599235 -0.2764787 -1.1060739 21 S -2.7443612 -0.0521126 -0.1498540 -0.3106049 -1.0890012 -0.1560801 -0.0221340 -0.0969247 -1.8890565 22 S -2.2177056 -0.4524067 -0.1458440 -0.6050941 -2.6689137 -0.3920076 0.0578121 -0.1538307 -1.5080290 23 S -3.0143400 1.1650571 -0.0839190 1.0459577 -2.4569963 -0.7444155 0.0599235 -0.2764787 -1.1060739 24 S -3.0143400 -1.1650571 -0.0839190 -1.0459577 -2.4569963 0.7444155 0.0599235 0.2764787 -1.1060739 25 S -2.2177056 0.4524067 -0.1458440 0.6050941 -2.6689137 0.3920076 0.0578121 0.1538307 -1.5080290 26 S -2.7055111 0.3932890 0.4086442 0.3908036 -2.9028568 0.2174857 0.2725823 0.0959270 -1.1304360 27 S -2.7055111 -0.3932890 0.4086442 -0.3908036 -2.9028568 -0.2174857 0.2725823 -0.0959270 -1.1304360 28 S -2.7055111 -0.3932890 0.4086442 -0.3908036 -2.9028568 -0.2174857 0.2725823 -0.0959270 -1.1304360 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.004 Solver_block: 200 / 880 - Time: 0.873 Solver_block: 300 / 880 - Time: 0.873 Solver_block: 400 / 880 - Time: 0.878 Solver_block: 500 / 880 - Time: 0.873 Solver_block: 600 / 880 - Time: 0.874 Solver_block: 700 / 880 - Time: 0.873 Solver_block: 800 / 880 - Time: 0.874 Solver_block: 880 / 880 - Time: 0.780 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.075 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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 10:55:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:55:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.541558758204575 0.000000000000000 0.000000000000000 b 0.000000000000000 6.783055330000000 0.000000000000000 c -5.808168928311341 0.000000000000000 17.647234453518070 Atomic positions (fractional): 1 Cs 0.73044692414305 0.74535046193486 0.46760911586463 132.905 2 Cs 0.26955307585695 0.25464953806514 0.53239088413537 132.905 3 Cs 0.73044692414305 0.75464953806514 0.96760911586463 132.905 4 Cs 0.26955307585695 0.24535046193486 0.03239088413537 132.905 5 Ge 0.21067629774229 0.77035433265893 0.66478780182115 72.640 6 Ge 0.21067629774229 0.72964566734107 0.16478780182114 72.640 7 Ge 0.78932370225770 0.27035433265893 0.83521219817885 72.640 8 Ge 0.78932370225770 0.22964566734107 0.33521219817886 72.640 9 Bi 0.23480564375228 0.28178669671552 0.27567378271556 208.980 10 Bi 0.76519435624772 0.78178669671552 0.22432621728444 208.980 11 Bi 0.76519435624772 0.71821330328448 0.72432621728444 208.980 12 Bi 0.23480564375228 0.21821330328448 0.77567378271556 208.980 13 S 0.02986106151378 0.98921560011465 0.35731972654821 32.065 14 S 0.41573960124482 0.74081802049921 0.09088362919317 32.065 15 S 0.00688537796878 0.50276362056278 0.65197191498529 32.065 16 S 0.42208483744105 0.66648267393698 0.28227472545002 32.065 17 S 0.02986106151378 0.51078439988535 0.85731972654821 32.065 18 S 0.58426039875518 0.24081802049921 0.40911637080683 32.065 19 S 0.41573960124482 0.75918197950079 0.59088362919317 32.065 20 S 0.57791516255895 0.16648267393698 0.21772527454998 32.065 21 S 0.58426039875518 0.25918197950079 0.90911637080683 32.065 22 S 0.97013893848622 0.01078439988535 0.64268027345179 32.065 23 S 0.42208483744105 0.83351732606302 0.78227472545002 32.065 24 S 0.57791516255895 0.33351732606302 0.71772527454998 32.065 25 S 0.97013893848622 0.48921560011465 0.14268027345179 32.065 26 S 0.99311462203122 0.49723637943722 0.34802808501471 32.065 27 S 0.00688537796878 0.99723637943722 0.15197191498529 32.065 28 S 0.99311462203122 0.00276362056278 0.84802808501471 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.083117516409150 0.000000000000000 0.000000000000000 b 0.000000000000000 13.566110660000000 0.000000000000000 c -5.808168928311341 0.000000000000000 17.647234453518070 Atomic positions (fractional): 1 Cs 0.36522346207153 0.37267523096743 0.46760911586463 132.905 > 1 2 Cs 0.86522346207153 0.37267523096743 0.46760911586463 132.905 > 1 3 Cs 0.36522346207153 0.87267523096743 0.46760911586463 132.905 > 1 4 Cs 0.86522346207153 0.87267523096743 0.46760911586463 132.905 > 1 5 Cs 0.13477653792847 0.12732476903257 0.53239088413537 132.905 > 5 6 Cs 0.63477653792847 0.12732476903257 0.53239088413537 132.905 > 5 7 Cs 0.13477653792847 0.62732476903257 0.53239088413537 132.905 > 5 8 Cs 0.63477653792847 0.62732476903257 0.53239088413537 132.905 > 5 9 Cs 0.36522346207153 0.37732476903257 0.96760911586463 132.905 > 9 10 Cs 0.86522346207153 0.37732476903257 0.96760911586463 132.905 > 9 11 Cs 0.36522346207153 0.87732476903257 0.96760911586463 132.905 > 9 12 Cs 0.86522346207153 0.87732476903257 0.96760911586463 132.905 > 9 13 Cs 0.13477653792847 0.12267523096743 0.03239088413537 132.905 > 13 14 Cs 0.63477653792847 0.12267523096743 0.03239088413537 132.905 > 13 15 Cs 0.13477653792847 0.62267523096743 0.03239088413537 132.905 > 13 16 Cs 0.63477653792847 0.62267523096743 0.03239088413537 132.905 > 13 17 Ge 0.10533814887115 0.38517716632946 0.66478780182115 72.640 > 17 18 Ge 0.60533814887115 0.38517716632946 0.66478780182115 72.640 > 17 19 Ge 0.10533814887115 0.88517716632946 0.66478780182115 72.640 > 17 20 Ge 0.60533814887115 0.88517716632946 0.66478780182115 72.640 > 17 21 Ge 0.10533814887115 0.36482283367054 0.16478780182114 72.640 > 21 22 Ge 0.60533814887115 0.36482283367054 0.16478780182114 72.640 > 21 23 Ge 0.10533814887115 0.86482283367054 0.16478780182114 72.640 > 21 24 Ge 0.60533814887115 0.86482283367054 0.16478780182114 72.640 > 21 25 Ge 0.39466185112885 0.13517716632946 0.83521219817885 72.640 > 25 26 Ge 0.89466185112885 0.13517716632946 0.83521219817885 72.640 > 25 27 Ge 0.39466185112885 0.63517716632946 0.83521219817885 72.640 > 25 28 Ge 0.89466185112885 0.63517716632946 0.83521219817885 72.640 > 25 29 Ge 0.39466185112885 0.11482283367054 0.33521219817886 72.640 > 29 30 Ge 0.89466185112885 0.11482283367054 0.33521219817886 72.640 > 29 31 Ge 0.39466185112885 0.61482283367054 0.33521219817886 72.640 > 29 32 Ge 0.89466185112885 0.61482283367054 0.33521219817886 72.640 > 29 33 Bi 0.11740282187614 0.14089334835776 0.27567378271556 208.980 > 33 34 Bi 0.61740282187614 0.14089334835776 0.27567378271556 208.980 > 33 35 Bi 0.11740282187614 0.64089334835776 0.27567378271556 208.980 > 33 36 Bi 0.61740282187614 0.64089334835776 0.27567378271556 208.980 > 33 37 Bi 0.38259717812386 0.39089334835776 0.22432621728444 208.980 > 37 38 Bi 0.88259717812386 0.39089334835776 0.22432621728444 208.980 > 37 39 Bi 0.38259717812386 0.89089334835776 0.22432621728444 208.980 > 37 40 Bi 0.88259717812386 0.89089334835776 0.22432621728444 208.980 > 37 41 Bi 0.38259717812386 0.35910665164224 0.72432621728444 208.980 > 41 42 Bi 0.88259717812386 0.35910665164224 0.72432621728444 208.980 > 41 43 Bi 0.38259717812386 0.85910665164224 0.72432621728444 208.980 > 41 44 Bi 0.88259717812386 0.85910665164224 0.72432621728444 208.980 > 41 45 Bi 0.11740282187614 0.10910665164224 0.77567378271556 208.980 > 45 46 Bi 0.61740282187614 0.10910665164224 0.77567378271556 208.980 > 45 47 Bi 0.11740282187614 0.60910665164224 0.77567378271556 208.980 > 45 48 Bi 0.61740282187614 0.60910665164224 0.77567378271556 208.980 > 45 49 S 0.01493053075689 0.49460780005732 0.35731972654821 32.065 > 49 50 S 0.51493053075689 0.49460780005732 0.35731972654821 32.065 > 49 51 S 0.01493053075689 0.99460780005732 0.35731972654821 32.065 > 49 52 S 0.51493053075689 0.99460780005732 0.35731972654821 32.065 > 49 53 S 0.20786980062241 0.37040901024960 0.09088362919317 32.065 > 53 54 S 0.70786980062241 0.37040901024960 0.09088362919317 32.065 > 53 55 S 0.20786980062241 0.87040901024960 0.09088362919317 32.065 > 53 56 S 0.70786980062241 0.87040901024960 0.09088362919317 32.065 > 53 57 S 0.00344268898439 0.25138181028139 0.65197191498529 32.065 > 57 58 S 0.50344268898439 0.25138181028139 0.65197191498529 32.065 > 57 59 S 0.00344268898439 0.75138181028139 0.65197191498529 32.065 > 57 60 S 0.50344268898439 0.75138181028139 0.65197191498529 32.065 > 57 61 S 0.21104241872052 0.33324133696849 0.28227472545002 32.065 > 61 62 S 0.71104241872052 0.33324133696849 0.28227472545002 32.065 > 61 63 S 0.21104241872052 0.83324133696849 0.28227472545002 32.065 > 61 64 S 0.71104241872052 0.83324133696849 0.28227472545002 32.065 > 61 65 S 0.01493053075689 0.25539219994268 0.85731972654821 32.065 > 65 66 S 0.51493053075689 0.25539219994268 0.85731972654821 32.065 > 65 67 S 0.01493053075689 0.75539219994268 0.85731972654821 32.065 > 65 68 S 0.51493053075689 0.75539219994268 0.85731972654821 32.065 > 65 69 S 0.29213019937759 0.12040901024961 0.40911637080683 32.065 > 69 70 S 0.79213019937759 0.12040901024961 0.40911637080683 32.065 > 69 71 S 0.29213019937759 0.62040901024961 0.40911637080683 32.065 > 69 72 S 0.79213019937759 0.62040901024961 0.40911637080683 32.065 > 69 73 S 0.20786980062241 0.37959098975040 0.59088362919317 32.065 > 73 74 S 0.70786980062241 0.37959098975040 0.59088362919317 32.065 > 73 75 S 0.20786980062241 0.87959098975040 0.59088362919317 32.065 > 73 76 S 0.70786980062241 0.87959098975040 0.59088362919317 32.065 > 73 77 S 0.28895758127948 0.08324133696849 0.21772527454998 32.065 > 77 78 S 0.78895758127948 0.08324133696849 0.21772527454998 32.065 > 77 79 S 0.28895758127948 0.58324133696849 0.21772527454998 32.065 > 77 80 S 0.78895758127948 0.58324133696849 0.21772527454998 32.065 > 77 81 S 0.29213019937759 0.12959098975040 0.90911637080683 32.065 > 81 82 S 0.79213019937759 0.12959098975040 0.90911637080683 32.065 > 81 83 S 0.29213019937759 0.62959098975040 0.90911637080683 32.065 > 81 84 S 0.79213019937759 0.62959098975040 0.90911637080683 32.065 > 81 85 S 0.48506946924311 0.00539219994268 0.64268027345179 32.065 > 85 86 S 0.98506946924311 0.00539219994268 0.64268027345179 32.065 > 85 87 S 0.48506946924311 0.50539219994268 0.64268027345179 32.065 > 85 88 S 0.98506946924311 0.50539219994268 0.64268027345179 32.065 > 85 89 S 0.21104241872052 0.41675866303151 0.78227472545002 32.065 > 89 90 S 0.71104241872052 0.41675866303151 0.78227472545002 32.065 > 89 91 S 0.21104241872052 0.91675866303151 0.78227472545002 32.065 > 89 92 S 0.71104241872052 0.91675866303151 0.78227472545002 32.065 > 89 93 S 0.28895758127948 0.16675866303151 0.71772527454998 32.065 > 93 94 S 0.78895758127948 0.16675866303151 0.71772527454998 32.065 > 93 95 S 0.28895758127948 0.66675866303151 0.71772527454998 32.065 > 93 96 S 0.78895758127948 0.66675866303151 0.71772527454998 32.065 > 93 97 S 0.48506946924311 0.24460780005732 0.14268027345179 32.065 > 97 98 S 0.98506946924311 0.24460780005732 0.14268027345179 32.065 > 97 99 S 0.48506946924311 0.74460780005732 0.14268027345179 32.065 > 97 100 S 0.98506946924311 0.74460780005732 0.14268027345179 32.065 > 97 101 S 0.49655731101561 0.24861818971861 0.34802808501471 32.065 > 101 102 S 0.99655731101561 0.24861818971861 0.34802808501471 32.065 > 101 103 S 0.49655731101561 0.74861818971861 0.34802808501471 32.065 > 101 104 S 0.99655731101561 0.74861818971861 0.34802808501471 32.065 > 101 105 S 0.00344268898439 0.49861818971861 0.15197191498529 32.065 > 105 106 S 0.50344268898439 0.49861818971861 0.15197191498529 32.065 > 105 107 S 0.00344268898439 0.99861818971861 0.15197191498529 32.065 > 105 108 S 0.50344268898439 0.99861818971861 0.15197191498529 32.065 > 105 109 S 0.49655731101561 0.00138181028139 0.84802808501471 32.065 > 109 110 S 0.99655731101561 0.00138181028139 0.84802808501471 32.065 > 109 111 S 0.49655731101561 0.50138181028139 0.84802808501471 32.065 > 109 112 S 0.99655731101561 0.50138181028139 0.84802808501471 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3858518 0.0000000 -0.1137088 0.0000000 7.2218567 0.0000000 -0.1137168 0.0000000 4.6726143 -------------------------- Born effective charges -------------------------- 1 Cs 1.1973315 -0.0180543 -0.1029954 0.0104943 1.3215363 0.0835057 -0.1107700 0.0404507 2.0589546 2 Cs 1.1973315 -0.0180543 -0.1029954 0.0104943 1.3215363 0.0835057 -0.1107700 0.0404507 2.0589546 3 Cs 1.1973315 0.0180543 -0.1029954 -0.0104943 1.3215363 -0.0835057 -0.1107700 -0.0404507 2.0589546 4 Cs 1.1973315 0.0180543 -0.1029954 -0.0104943 1.3215363 -0.0835057 -0.1107700 -0.0404507 2.0589546 5 Ge 3.6044198 0.3978023 0.0632477 0.1660634 2.4237110 1.0149169 -0.4225621 0.0976198 1.0549689 6 Ge 3.6044198 -0.3978023 0.0632477 -0.1660634 2.4237110 -1.0149169 -0.4225621 -0.0976198 1.0549689 7 Ge 3.6044198 -0.3978023 0.0632477 -0.1660634 2.4237110 -1.0149169 -0.4225621 -0.0976198 1.0549689 8 Ge 3.6044198 0.3978023 0.0632477 0.1660634 2.4237110 1.0149169 -0.4225621 0.0976198 1.0549689 9 Bi 5.8801665 0.4496403 0.0107205 -0.5040755 5.3725208 0.1611479 0.1651482 -0.2699788 2.5196720 10 Bi 5.8801665 -0.4496403 0.0107205 0.5040755 5.3725208 -0.1611479 0.1651482 0.2699788 2.5196720 11 Bi 5.8801665 0.4496403 0.0107205 -0.5040755 5.3725208 0.1611479 0.1651482 -0.2699788 2.5196720 12 Bi 5.8801665 -0.4496403 0.0107205 0.5040755 5.3725208 -0.1611479 0.1651482 0.2699788 2.5196720 13 S -2.2177056 -0.4524067 -0.1458440 -0.6050941 -2.6689137 -0.3920076 0.0578121 -0.1538307 -1.5080290 14 S -2.7443612 -0.0521126 -0.1498540 -0.3106049 -1.0890012 -0.1560801 -0.0221340 -0.0969247 -1.8890565 15 S -2.7055111 0.3932890 0.4086442 0.3908036 -2.9028568 0.2174857 0.2725823 0.0959270 -1.1304360 16 S -3.0143400 -1.1650571 -0.0839190 -1.0459577 -2.4569963 0.7444155 0.0599235 0.2764787 -1.1060739 17 S -2.2177056 0.4524067 -0.1458440 0.6050941 -2.6689137 0.3920076 0.0578121 0.1538307 -1.5080290 18 S -2.7443612 0.0521126 -0.1498540 0.3106049 -1.0890012 0.1560801 -0.0221340 0.0969247 -1.8890565 19 S -2.7443612 0.0521126 -0.1498540 0.3106049 -1.0890012 0.1560801 -0.0221340 0.0969247 -1.8890565 20 S -3.0143400 1.1650571 -0.0839190 1.0459577 -2.4569963 -0.7444155 0.0599235 -0.2764787 -1.1060739 21 S -2.7443612 -0.0521126 -0.1498540 -0.3106049 -1.0890012 -0.1560801 -0.0221340 -0.0969247 -1.8890565 22 S -2.2177056 -0.4524067 -0.1458440 -0.6050941 -2.6689137 -0.3920076 0.0578121 -0.1538307 -1.5080290 23 S -3.0143400 1.1650571 -0.0839190 1.0459577 -2.4569963 -0.7444155 0.0599235 -0.2764787 -1.1060739 24 S -3.0143400 -1.1650571 -0.0839190 -1.0459577 -2.4569963 0.7444155 0.0599235 0.2764787 -1.1060739 25 S -2.2177056 0.4524067 -0.1458440 0.6050941 -2.6689137 0.3920076 0.0578121 0.1538307 -1.5080290 26 S -2.7055111 0.3932890 0.4086442 0.3908036 -2.9028568 0.2174857 0.2725823 0.0959270 -1.1304360 27 S -2.7055111 -0.3932890 0.4086442 -0.3908036 -2.9028568 -0.2174857 0.2725823 -0.0959270 -1.1304360 28 S -2.7055111 -0.3932890 0.4086442 -0.3908036 -2.9028568 -0.2174857 0.2725823 -0.0959270 -1.1304360 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 53, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 57, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 61, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xzz) 0.00000001 (xzz) 0.00000001 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (zx) -0.00000004 (zx) 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 10:56:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:56:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.541558758204575 0.000000000000000 0.000000000000000 b 0.000000000000000 6.783055330000000 0.000000000000000 c -5.808168928311341 0.000000000000000 17.647234453518070 Atomic positions (fractional): 1 Cs 0.73044692414305 0.74535046193486 0.46760911586463 132.905 2 Cs 0.26955307585695 0.25464953806514 0.53239088413537 132.905 3 Cs 0.73044692414305 0.75464953806514 0.96760911586463 132.905 4 Cs 0.26955307585695 0.24535046193486 0.03239088413537 132.905 5 Ge 0.21067629774229 0.77035433265893 0.66478780182115 72.640 6 Ge 0.21067629774229 0.72964566734107 0.16478780182114 72.640 7 Ge 0.78932370225770 0.27035433265893 0.83521219817885 72.640 8 Ge 0.78932370225770 0.22964566734107 0.33521219817886 72.640 9 Bi 0.23480564375228 0.28178669671552 0.27567378271556 208.980 10 Bi 0.76519435624772 0.78178669671552 0.22432621728444 208.980 11 Bi 0.76519435624772 0.71821330328448 0.72432621728444 208.980 12 Bi 0.23480564375228 0.21821330328448 0.77567378271556 208.980 13 S 0.02986106151378 0.98921560011465 0.35731972654821 32.065 14 S 0.41573960124482 0.74081802049921 0.09088362919317 32.065 15 S 0.00688537796878 0.50276362056278 0.65197191498529 32.065 16 S 0.42208483744105 0.66648267393698 0.28227472545002 32.065 17 S 0.02986106151378 0.51078439988535 0.85731972654821 32.065 18 S 0.58426039875518 0.24081802049921 0.40911637080683 32.065 19 S 0.41573960124482 0.75918197950079 0.59088362919317 32.065 20 S 0.57791516255895 0.16648267393698 0.21772527454998 32.065 21 S 0.58426039875518 0.25918197950079 0.90911637080683 32.065 22 S 0.97013893848622 0.01078439988535 0.64268027345179 32.065 23 S 0.42208483744105 0.83351732606302 0.78227472545002 32.065 24 S 0.57791516255895 0.33351732606302 0.71772527454998 32.065 25 S 0.97013893848622 0.48921560011465 0.14268027345179 32.065 26 S 0.99311462203122 0.49723637943722 0.34802808501471 32.065 27 S 0.00688537796878 0.99723637943722 0.15197191498529 32.065 28 S 0.99311462203122 0.00276362056278 0.84802808501471 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.083117516409150 0.000000000000000 0.000000000000000 b 0.000000000000000 13.566110660000000 0.000000000000000 c -5.808168928311341 0.000000000000000 17.647234453518070 Atomic positions (fractional): 1 Cs 0.36522346207153 0.37267523096743 0.46760911586463 132.905 > 1 2 Cs 0.86522346207153 0.37267523096743 0.46760911586463 132.905 > 1 3 Cs 0.36522346207153 0.87267523096743 0.46760911586463 132.905 > 1 4 Cs 0.86522346207153 0.87267523096743 0.46760911586463 132.905 > 1 5 Cs 0.13477653792847 0.12732476903257 0.53239088413537 132.905 > 5 6 Cs 0.63477653792847 0.12732476903257 0.53239088413537 132.905 > 5 7 Cs 0.13477653792847 0.62732476903257 0.53239088413537 132.905 > 5 8 Cs 0.63477653792847 0.62732476903257 0.53239088413537 132.905 > 5 9 Cs 0.36522346207153 0.37732476903257 0.96760911586463 132.905 > 9 10 Cs 0.86522346207153 0.37732476903257 0.96760911586463 132.905 > 9 11 Cs 0.36522346207153 0.87732476903257 0.96760911586463 132.905 > 9 12 Cs 0.86522346207153 0.87732476903257 0.96760911586463 132.905 > 9 13 Cs 0.13477653792847 0.12267523096743 0.03239088413537 132.905 > 13 14 Cs 0.63477653792847 0.12267523096743 0.03239088413537 132.905 > 13 15 Cs 0.13477653792847 0.62267523096743 0.03239088413537 132.905 > 13 16 Cs 0.63477653792847 0.62267523096743 0.03239088413537 132.905 > 13 17 Ge 0.10533814887115 0.38517716632946 0.66478780182115 72.640 > 17 18 Ge 0.60533814887115 0.38517716632946 0.66478780182115 72.640 > 17 19 Ge 0.10533814887115 0.88517716632946 0.66478780182115 72.640 > 17 20 Ge 0.60533814887115 0.88517716632946 0.66478780182115 72.640 > 17 21 Ge 0.10533814887115 0.36482283367054 0.16478780182114 72.640 > 21 22 Ge 0.60533814887115 0.36482283367054 0.16478780182114 72.640 > 21 23 Ge 0.10533814887115 0.86482283367054 0.16478780182114 72.640 > 21 24 Ge 0.60533814887115 0.86482283367054 0.16478780182114 72.640 > 21 25 Ge 0.39466185112885 0.13517716632946 0.83521219817885 72.640 > 25 26 Ge 0.89466185112885 0.13517716632946 0.83521219817885 72.640 > 25 27 Ge 0.39466185112885 0.63517716632946 0.83521219817885 72.640 > 25 28 Ge 0.89466185112885 0.63517716632946 0.83521219817885 72.640 > 25 29 Ge 0.39466185112885 0.11482283367054 0.33521219817886 72.640 > 29 30 Ge 0.89466185112885 0.11482283367054 0.33521219817886 72.640 > 29 31 Ge 0.39466185112885 0.61482283367054 0.33521219817886 72.640 > 29 32 Ge 0.89466185112885 0.61482283367054 0.33521219817886 72.640 > 29 33 Bi 0.11740282187614 0.14089334835776 0.27567378271556 208.980 > 33 34 Bi 0.61740282187614 0.14089334835776 0.27567378271556 208.980 > 33 35 Bi 0.11740282187614 0.64089334835776 0.27567378271556 208.980 > 33 36 Bi 0.61740282187614 0.64089334835776 0.27567378271556 208.980 > 33 37 Bi 0.38259717812386 0.39089334835776 0.22432621728444 208.980 > 37 38 Bi 0.88259717812386 0.39089334835776 0.22432621728444 208.980 > 37 39 Bi 0.38259717812386 0.89089334835776 0.22432621728444 208.980 > 37 40 Bi 0.88259717812386 0.89089334835776 0.22432621728444 208.980 > 37 41 Bi 0.38259717812386 0.35910665164224 0.72432621728444 208.980 > 41 42 Bi 0.88259717812386 0.35910665164224 0.72432621728444 208.980 > 41 43 Bi 0.38259717812386 0.85910665164224 0.72432621728444 208.980 > 41 44 Bi 0.88259717812386 0.85910665164224 0.72432621728444 208.980 > 41 45 Bi 0.11740282187614 0.10910665164224 0.77567378271556 208.980 > 45 46 Bi 0.61740282187614 0.10910665164224 0.77567378271556 208.980 > 45 47 Bi 0.11740282187614 0.60910665164224 0.77567378271556 208.980 > 45 48 Bi 0.61740282187614 0.60910665164224 0.77567378271556 208.980 > 45 49 S 0.01493053075689 0.49460780005732 0.35731972654821 32.065 > 49 50 S 0.51493053075689 0.49460780005732 0.35731972654821 32.065 > 49 51 S 0.01493053075689 0.99460780005732 0.35731972654821 32.065 > 49 52 S 0.51493053075689 0.99460780005732 0.35731972654821 32.065 > 49 53 S 0.20786980062241 0.37040901024960 0.09088362919317 32.065 > 53 54 S 0.70786980062241 0.37040901024960 0.09088362919317 32.065 > 53 55 S 0.20786980062241 0.87040901024960 0.09088362919317 32.065 > 53 56 S 0.70786980062241 0.87040901024960 0.09088362919317 32.065 > 53 57 S 0.00344268898439 0.25138181028139 0.65197191498529 32.065 > 57 58 S 0.50344268898439 0.25138181028139 0.65197191498529 32.065 > 57 59 S 0.00344268898439 0.75138181028139 0.65197191498529 32.065 > 57 60 S 0.50344268898439 0.75138181028139 0.65197191498529 32.065 > 57 61 S 0.21104241872052 0.33324133696849 0.28227472545002 32.065 > 61 62 S 0.71104241872052 0.33324133696849 0.28227472545002 32.065 > 61 63 S 0.21104241872052 0.83324133696849 0.28227472545002 32.065 > 61 64 S 0.71104241872052 0.83324133696849 0.28227472545002 32.065 > 61 65 S 0.01493053075689 0.25539219994268 0.85731972654821 32.065 > 65 66 S 0.51493053075689 0.25539219994268 0.85731972654821 32.065 > 65 67 S 0.01493053075689 0.75539219994268 0.85731972654821 32.065 > 65 68 S 0.51493053075689 0.75539219994268 0.85731972654821 32.065 > 65 69 S 0.29213019937759 0.12040901024961 0.40911637080683 32.065 > 69 70 S 0.79213019937759 0.12040901024961 0.40911637080683 32.065 > 69 71 S 0.29213019937759 0.62040901024961 0.40911637080683 32.065 > 69 72 S 0.79213019937759 0.62040901024961 0.40911637080683 32.065 > 69 73 S 0.20786980062241 0.37959098975040 0.59088362919317 32.065 > 73 74 S 0.70786980062241 0.37959098975040 0.59088362919317 32.065 > 73 75 S 0.20786980062241 0.87959098975040 0.59088362919317 32.065 > 73 76 S 0.70786980062241 0.87959098975040 0.59088362919317 32.065 > 73 77 S 0.28895758127948 0.08324133696849 0.21772527454998 32.065 > 77 78 S 0.78895758127948 0.08324133696849 0.21772527454998 32.065 > 77 79 S 0.28895758127948 0.58324133696849 0.21772527454998 32.065 > 77 80 S 0.78895758127948 0.58324133696849 0.21772527454998 32.065 > 77 81 S 0.29213019937759 0.12959098975040 0.90911637080683 32.065 > 81 82 S 0.79213019937759 0.12959098975040 0.90911637080683 32.065 > 81 83 S 0.29213019937759 0.62959098975040 0.90911637080683 32.065 > 81 84 S 0.79213019937759 0.62959098975040 0.90911637080683 32.065 > 81 85 S 0.48506946924311 0.00539219994268 0.64268027345179 32.065 > 85 86 S 0.98506946924311 0.00539219994268 0.64268027345179 32.065 > 85 87 S 0.48506946924311 0.50539219994268 0.64268027345179 32.065 > 85 88 S 0.98506946924311 0.50539219994268 0.64268027345179 32.065 > 85 89 S 0.21104241872052 0.41675866303151 0.78227472545002 32.065 > 89 90 S 0.71104241872052 0.41675866303151 0.78227472545002 32.065 > 89 91 S 0.21104241872052 0.91675866303151 0.78227472545002 32.065 > 89 92 S 0.71104241872052 0.91675866303151 0.78227472545002 32.065 > 89 93 S 0.28895758127948 0.16675866303151 0.71772527454998 32.065 > 93 94 S 0.78895758127948 0.16675866303151 0.71772527454998 32.065 > 93 95 S 0.28895758127948 0.66675866303151 0.71772527454998 32.065 > 93 96 S 0.78895758127948 0.66675866303151 0.71772527454998 32.065 > 93 97 S 0.48506946924311 0.24460780005732 0.14268027345179 32.065 > 97 98 S 0.98506946924311 0.24460780005732 0.14268027345179 32.065 > 97 99 S 0.48506946924311 0.74460780005732 0.14268027345179 32.065 > 97 100 S 0.98506946924311 0.74460780005732 0.14268027345179 32.065 > 97 101 S 0.49655731101561 0.24861818971861 0.34802808501471 32.065 > 101 102 S 0.99655731101561 0.24861818971861 0.34802808501471 32.065 > 101 103 S 0.49655731101561 0.74861818971861 0.34802808501471 32.065 > 101 104 S 0.99655731101561 0.74861818971861 0.34802808501471 32.065 > 101 105 S 0.00344268898439 0.49861818971861 0.15197191498529 32.065 > 105 106 S 0.50344268898439 0.49861818971861 0.15197191498529 32.065 > 105 107 S 0.00344268898439 0.99861818971861 0.15197191498529 32.065 > 105 108 S 0.50344268898439 0.99861818971861 0.15197191498529 32.065 > 105 109 S 0.49655731101561 0.00138181028139 0.84802808501471 32.065 > 109 110 S 0.99655731101561 0.00138181028139 0.84802808501471 32.065 > 109 111 S 0.49655731101561 0.50138181028139 0.84802808501471 32.065 > 109 112 S 0.99655731101561 0.50138181028139 0.84802808501471 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.3858518 0.0000000 -0.1137088 0.0000000 7.2218567 0.0000000 -0.1137168 0.0000000 4.6726143 -------------------------- Born effective charges -------------------------- 1 Cs 1.1973315 -0.0180543 -0.1029954 0.0104943 1.3215363 0.0835057 -0.1107700 0.0404507 2.0589546 2 Cs 1.1973315 -0.0180543 -0.1029954 0.0104943 1.3215363 0.0835057 -0.1107700 0.0404507 2.0589546 3 Cs 1.1973315 0.0180543 -0.1029954 -0.0104943 1.3215363 -0.0835057 -0.1107700 -0.0404507 2.0589546 4 Cs 1.1973315 0.0180543 -0.1029954 -0.0104943 1.3215363 -0.0835057 -0.1107700 -0.0404507 2.0589546 5 Ge 3.6044198 0.3978023 0.0632477 0.1660634 2.4237110 1.0149169 -0.4225621 0.0976198 1.0549689 6 Ge 3.6044198 -0.3978023 0.0632477 -0.1660634 2.4237110 -1.0149169 -0.4225621 -0.0976198 1.0549689 7 Ge 3.6044198 -0.3978023 0.0632477 -0.1660634 2.4237110 -1.0149169 -0.4225621 -0.0976198 1.0549689 8 Ge 3.6044198 0.3978023 0.0632477 0.1660634 2.4237110 1.0149169 -0.4225621 0.0976198 1.0549689 9 Bi 5.8801665 0.4496403 0.0107205 -0.5040755 5.3725208 0.1611479 0.1651482 -0.2699788 2.5196720 10 Bi 5.8801665 -0.4496403 0.0107205 0.5040755 5.3725208 -0.1611479 0.1651482 0.2699788 2.5196720 11 Bi 5.8801665 0.4496403 0.0107205 -0.5040755 5.3725208 0.1611479 0.1651482 -0.2699788 2.5196720 12 Bi 5.8801665 -0.4496403 0.0107205 0.5040755 5.3725208 -0.1611479 0.1651482 0.2699788 2.5196720 13 S -2.2177056 -0.4524067 -0.1458440 -0.6050941 -2.6689137 -0.3920076 0.0578121 -0.1538307 -1.5080290 14 S -2.7443612 -0.0521126 -0.1498540 -0.3106049 -1.0890012 -0.1560801 -0.0221340 -0.0969247 -1.8890565 15 S -2.7055111 0.3932890 0.4086442 0.3908036 -2.9028568 0.2174857 0.2725823 0.0959270 -1.1304360 16 S -3.0143400 -1.1650571 -0.0839190 -1.0459577 -2.4569963 0.7444155 0.0599235 0.2764787 -1.1060739 17 S -2.2177056 0.4524067 -0.1458440 0.6050941 -2.6689137 0.3920076 0.0578121 0.1538307 -1.5080290 18 S -2.7443612 0.0521126 -0.1498540 0.3106049 -1.0890012 0.1560801 -0.0221340 0.0969247 -1.8890565 19 S -2.7443612 0.0521126 -0.1498540 0.3106049 -1.0890012 0.1560801 -0.0221340 0.0969247 -1.8890565 20 S -3.0143400 1.1650571 -0.0839190 1.0459577 -2.4569963 -0.7444155 0.0599235 -0.2764787 -1.1060739 21 S -2.7443612 -0.0521126 -0.1498540 -0.3106049 -1.0890012 -0.1560801 -0.0221340 -0.0969247 -1.8890565 22 S -2.2177056 -0.4524067 -0.1458440 -0.6050941 -2.6689137 -0.3920076 0.0578121 -0.1538307 -1.5080290 23 S -3.0143400 1.1650571 -0.0839190 1.0459577 -2.4569963 -0.7444155 0.0599235 -0.2764787 -1.1060739 24 S -3.0143400 -1.1650571 -0.0839190 -1.0459577 -2.4569963 0.7444155 0.0599235 0.2764787 -1.1060739 25 S -2.2177056 0.4524067 -0.1458440 0.6050941 -2.6689137 0.3920076 0.0578121 0.1538307 -1.5080290 26 S -2.7055111 0.3932890 0.4086442 0.3908036 -2.9028568 0.2174857 0.2725823 0.0959270 -1.1304360 27 S -2.7055111 -0.3932890 0.4086442 -0.3908036 -2.9028568 -0.2174857 0.2725823 -0.0959270 -1.1304360 28 S -2.7055111 -0.3932890 0.4086442 -0.3908036 -2.9028568 -0.2174857 0.2725823 -0.0959270 -1.1304360 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xzz) 0.00000001 (xzz) 0.00000001 (xzz) 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 ... [ 8 7 3 ] 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: 0.45, Number of G-points: 295, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/52) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.565 ( 0.000 0.000 0.000) 0.000 0.568 ( 0.000 0.000 0.000) 0.000 0.904 ( 0.000 0.000 0.000) 0.000 1.049 ( 0.000 0.000 0.000) 0.000 1.133 ( 0.000 0.000 0.000) 0.000 1.159 ( 0.000 0.000 0.000) 0.000 1.162 ( 0.000 0.000 0.000) 0.000 1.235 ( 0.000 0.000 0.000) 0.000 1.305 ( 0.000 0.000 0.000) 0.000 1.389 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.500 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.684 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 1.824 ( 0.000 0.000 0.000) 0.000 1.993 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.111 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.952 ( 0.000 0.000 0.000) 0.000 2.960 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.543 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.690 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.723 ( 0.000 0.000 0.000) 0.000 6.799 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 7.136 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.518 ( 0.000 0.000 0.000) 0.000 7.518 ( 0.000 0.000 0.000) 0.000 10.669 ( 0.000 0.000 0.000) 0.000 10.678 ( 0.000 0.000 0.000) 0.000 10.750 ( 0.000 0.000 0.000) 0.000 10.755 ( 0.000 0.000 0.000) 0.000 11.028 ( 0.000 0.000 0.000) 0.000 11.081 ( 0.000 0.000 0.000) 0.000 11.082 ( 0.000 0.000 0.000) 0.000 11.083 ( 0.000 0.000 0.000) 0.000 11.346 ( 0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 11.399 ( 0.000 0.000 0.000) 0.000 11.542 ( 0.000 0.000 0.000) 0.000 11.847 ( 0.000 0.000 0.000) 0.000 11.892 ( 0.000 0.000 0.000) 0.000 11.896 ( 0.000 0.000 0.000) 0.000 11.916 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/52) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 17.278 0.000 5.023) 17.994 0.293 ( 12.034 0.000 10.813) 16.179 0.556 ( 20.282 0.000 1.361) 20.328 0.693 ( 14.769 0.000 -4.069) 15.320 0.760 ( 10.132 0.000 5.000) 11.299 0.890 ( 0.296 0.000 -7.606) 7.611 1.080 ( 1.612 0.000 2.457) 2.938 1.150 ( -0.532 0.000 3.673) 3.711 1.165 ( 2.939 0.000 -3.574) 4.627 1.198 ( 6.190 0.000 0.334) 6.199 1.221 ( 0.536 0.000 -1.364) 1.465 1.313 ( 2.328 0.000 -4.004) 4.631 1.392 ( -0.555 0.000 2.217) 2.286 1.457 ( -0.966 0.000 -0.616) 1.146 1.478 ( -1.676 0.000 -0.014) 1.676 1.500 ( -0.265 0.000 0.926) 0.964 1.635 ( -0.328 0.000 -0.819) 0.882 1.701 ( 0.622 0.000 1.221) 1.370 1.782 ( -1.852 0.000 -1.605) 2.451 1.814 ( -0.684 0.000 -1.236) 1.413 1.862 ( 3.437 0.000 0.797) 3.528 1.881 ( 7.867 0.000 -3.021) 8.427 2.061 ( 6.994 0.000 0.251) 6.998 2.071 ( 5.406 0.000 1.374) 5.578 2.107 ( -4.246 0.000 2.789) 5.080 2.134 ( 2.487 0.000 -0.306) 2.506 2.629 ( 1.487 0.000 -1.432) 2.064 2.634 ( -1.197 0.000 1.758) 2.127 2.925 ( -1.201 0.000 0.326) 1.244 2.953 ( -0.590 0.000 -0.282) 0.654 3.130 ( -7.513 0.000 -0.892) 7.566 3.152 ( -7.047 0.000 1.711) 7.252 3.270 ( -1.789 0.000 -0.402) 1.833 3.306 ( -3.916 0.000 -2.353) 4.569 3.435 ( 6.980 0.000 3.185) 7.672 3.592 ( -2.040 0.000 -3.305) 3.884 3.645 ( -0.397 0.000 2.308) 2.342 3.677 ( -1.009 0.000 -0.455) 1.107 3.732 ( 3.327 0.000 0.866) 3.437 3.732 ( 1.159 0.000 -0.563) 1.289 3.794 ( 3.043 0.000 2.186) 3.747 3.797 ( 0.063 0.000 -0.921) 0.923 3.930 ( 7.002 0.000 1.011) 7.074 4.179 ( -1.298 0.000 -4.388) 4.576 4.357 ( 4.077 0.000 -0.910) 4.177 4.384 ( 5.655 0.000 -1.225) 5.786 4.754 ( -6.009 0.000 -0.633) 6.043 4.802 ( -2.915 0.000 -0.082) 2.916 4.985 ( 3.103 0.000 -0.298) 3.117 4.997 ( 2.044 0.000 0.836) 2.209 5.277 ( 1.019 0.000 1.016) 1.439 5.297 ( 0.551 0.000 -1.120) 1.248 5.530 ( -5.474 0.000 1.824) 5.770 5.603 ( -6.319 0.000 -3.336) 7.145 5.649 ( -2.740 0.000 -0.134) 2.743 5.651 ( 0.046 0.000 0.243) 0.247 6.086 ( -1.499 0.000 -0.944) 1.771 6.094 ( -0.381 0.000 1.666) 1.709 6.212 ( 5.343 0.000 -2.034) 5.717 6.537 ( -7.925 0.000 -6.690) 10.371 6.710 ( -8.229 0.000 -1.536) 8.371 6.915 ( 4.061 0.000 5.036) 6.470 7.117 ( -8.022 0.000 -4.901) 9.401 7.216 ( 4.516 0.000 1.808) 4.864 7.344 ( 9.392 0.000 -1.390) 9.495 7.526 ( 7.667 0.000 -3.024) 8.242 7.551 ( 2.975 0.000 0.474) 3.012 7.673 ( 4.471 0.000 -1.930) 4.870 10.667 ( -0.280 0.000 0.282) 0.397 10.675 ( -0.236 0.000 -0.194) 0.305 10.752 ( -0.262 0.000 -0.143) 0.299 10.768 ( -0.469 0.000 0.372) 0.598 11.017 ( -0.986 0.000 -0.124) 0.993 11.063 ( -1.950 0.000 0.264) 1.968 11.080 ( -0.240 0.000 -0.021) 0.241 11.080 ( -0.202 0.000 0.017) 0.202 11.339 ( -0.837 0.000 0.474) 0.962 11.347 ( -0.476 0.000 -0.130) 0.494 11.418 ( -2.213 0.000 3.123) 3.828 11.464 ( -5.224 0.000 -1.543) 5.447 11.843 ( 1.541 0.000 -0.695) 1.691 11.888 ( 3.211 0.000 2.387) 4.002 12.120 ( 9.596 0.000 5.577) 11.099 12.255 ( 5.092 0.000 -16.571) 17.336 ======================= Grid point 2 (3/52) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 13.157 0.000 6.948) 14.879 0.630 ( 13.747 0.000 4.879) 14.588 0.790 ( -1.178 0.000 -5.090) 5.225 0.803 ( 9.118 0.000 0.888) 9.161 0.914 ( 2.224 0.000 -5.265) 5.715 0.930 ( 8.992 0.000 -3.390) 9.610 1.114 ( -0.907 0.000 4.465) 4.557 1.158 ( -0.023 0.000 2.690) 2.690 1.181 ( 3.439 0.000 -3.041) 4.591 1.270 ( 3.169 0.000 -1.518) 3.514 1.330 ( -0.503 0.000 -1.489) 1.572 1.379 ( -3.689 0.000 1.438) 3.959 1.397 ( 0.488 0.000 0.703) 0.856 1.422 ( -3.935 0.000 0.297) 3.946 1.468 ( 12.623 0.000 -1.922) 12.768 1.556 ( 3.957 0.000 2.497) 4.679 1.625 ( 1.871 0.000 -1.367) 2.317 1.718 ( -0.409 0.000 -0.357) 0.543 1.747 ( -0.586 0.000 3.673) 3.720 1.769 ( -2.724 0.000 -2.166) 3.480 1.898 ( 0.041 0.000 0.141) 0.147 1.984 ( 5.111 0.000 -3.669) 6.291 2.103 ( 2.701 0.000 3.111) 4.120 2.186 ( 2.798 0.000 -0.285) 2.812 2.233 ( 8.047 0.000 0.512) 8.064 2.233 ( 8.725 0.000 -0.211) 8.727 2.629 ( 0.894 0.000 0.457) 1.004 2.637 ( 1.297 0.000 -0.477) 1.382 2.917 ( -0.154 0.000 0.561) 0.582 2.934 ( -1.256 0.000 -0.631) 1.405 3.004 ( -3.923 0.000 -0.668) 3.979 3.034 ( -4.969 0.000 0.675) 5.015 3.229 ( -2.076 0.000 -0.376) 2.109 3.266 ( 0.114 0.000 -0.650) 0.660 3.426 ( -7.097 0.000 1.856) 7.336 3.479 ( -6.375 0.000 -1.523) 6.555 3.615 ( -3.671 0.000 1.300) 3.894 3.617 ( -3.041 0.000 -0.989) 3.198 3.784 ( 1.112 0.000 0.131) 1.120 3.784 ( 1.312 0.000 -0.235) 1.333 3.821 ( 4.990 0.000 -2.035) 5.390 3.885 ( 4.350 0.000 2.527) 5.030 4.078 ( 5.183 0.000 1.473) 5.388 4.157 ( 0.429 0.000 -1.530) 1.588 4.406 ( 0.546 0.000 -1.234) 1.349 4.442 ( 0.486 0.000 0.951) 1.068 4.642 ( -4.842 0.000 0.604) 4.879 4.720 ( -5.407 0.000 -0.860) 5.475 5.041 ( 2.672 0.000 0.075) 2.674 5.043 ( 2.295 0.000 -0.061) 2.296 5.307 ( 1.439 0.000 -1.297) 1.937 5.311 ( 1.609 0.000 1.496) 2.197 5.393 ( -7.397 0.000 0.854) 7.446 5.406 ( -9.144 0.000 -0.794) 9.178 5.633 ( -0.980 0.000 0.123) 0.988 5.650 ( -1.330 0.000 -0.122) 1.336 6.025 ( -4.050 0.000 -2.398) 4.707 6.091 ( -3.335 0.000 5.453) 6.392 6.315 ( 6.888 0.000 -2.503) 7.329 6.407 ( -1.929 0.000 -0.530) 2.001 6.549 ( -5.945 0.000 -2.942) 6.633 6.923 ( -9.296 0.000 0.270) 9.300 6.980 ( 0.021 0.000 0.540) 0.540 7.213 ( -4.332 0.000 -0.450) 4.355 7.548 ( 7.016 0.000 1.283) 7.132 7.632 ( 4.573 0.000 -0.865) 4.654 7.642 ( 6.474 0.000 1.948) 6.761 7.749 ( 4.273 0.000 -2.795) 5.105 10.665 ( -0.088 0.000 0.467) 0.475 10.667 ( -0.310 0.000 -0.346) 0.464 10.744 ( -0.463 0.000 -0.112) 0.476 10.758 ( -0.695 0.000 -0.024) 0.695 10.997 ( -0.807 0.000 -0.104) 0.813 11.024 ( -1.855 0.000 0.205) 1.867 11.070 ( -0.770 0.000 -0.082) 0.774 11.073 ( -0.703 0.000 0.071) 0.707 11.326 ( -0.742 0.000 0.525) 0.909 11.331 ( -1.051 0.000 -0.408) 1.128 11.386 ( -2.003 0.000 -0.331) 2.031 11.392 ( -1.547 0.000 0.295) 1.575 11.892 ( 3.335 0.000 -1.467) 3.643 11.980 ( 3.730 0.000 4.096) 5.540 12.241 ( 1.927 0.000 -9.318) 9.515 12.294 ( 4.722 0.000 5.583) 7.312 ======================= Grid point 3 (4/52) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 2.022 0.000 -5.038) 5.428 0.847 ( 9.396 0.000 -0.603) 9.415 0.863 ( -2.104 0.000 -3.288) 3.904 0.922 ( 9.579 0.000 3.384) 10.159 0.955 ( 5.332 0.000 0.776) 5.389 1.026 ( 2.996 0.000 3.602) 4.685 1.114 ( -0.250 0.000 2.638) 2.649 1.182 ( 0.221 0.000 2.951) 2.959 1.218 ( -0.972 0.000 -2.596) 2.772 1.267 ( -3.818 0.000 -0.910) 3.925 1.298 ( -2.485 0.000 0.674) 2.575 1.336 ( -3.465 0.000 -0.907) 3.582 1.353 ( -2.749 0.000 -1.283) 3.033 1.367 ( 7.824 0.000 -2.736) 8.289 1.548 ( -2.470 0.000 1.053) 2.685 1.616 ( 1.382 0.000 -0.001) 1.382 1.652 ( -4.459 0.000 0.881) 4.545 1.735 ( -0.033 0.000 -0.642) 0.643 1.749 ( 2.597 0.000 -0.497) 2.645 1.793 ( 2.980 0.000 4.503) 5.400 1.891 ( 1.158 0.000 -3.593) 3.775 2.059 ( 3.352 0.000 0.124) 3.354 2.174 ( 2.936 0.000 -0.120) 2.939 2.213 ( 0.328 0.000 0.456) 0.562 2.353 ( 3.913 0.000 -0.337) 3.928 2.359 ( 4.519 0.000 0.381) 4.535 2.690 ( 3.878 0.000 0.042) 3.878 2.699 ( 4.596 0.000 -0.049) 4.596 2.912 ( 1.183 0.000 -0.102) 1.187 2.926 ( 1.169 0.000 0.478) 1.263 2.975 ( -1.332 0.000 -0.402) 1.392 2.984 ( 0.963 0.000 -0.114) 0.970 3.177 ( -3.087 0.000 -0.370) 3.109 3.227 ( -7.882 0.000 0.750) 7.918 3.314 ( -1.503 0.000 -0.480) 1.577 3.342 ( -7.947 0.000 0.071) 7.947 3.560 ( -1.843 0.000 -0.005) 1.843 3.560 ( -1.433 0.000 0.071) 1.435 3.810 ( 2.119 0.000 -0.161) 2.125 3.816 ( 2.996 0.000 -0.010) 2.996 3.892 ( 2.232 0.000 -1.167) 2.518 3.948 ( 0.000 0.000 1.224) 1.224 4.125 ( -0.381 0.000 0.355) 0.521 4.153 ( -0.582 0.000 -0.425) 0.721 4.397 ( 0.550 0.000 -0.642) 0.845 4.439 ( -0.425 0.000 0.536) 0.684 4.578 ( -2.655 0.000 0.714) 2.749 4.613 ( -4.162 0.000 -0.674) 4.216 5.073 ( 1.007 0.000 -0.300) 1.051 5.081 ( 1.426 0.000 0.265) 1.450 5.278 ( -4.238 0.000 -0.215) 4.243 5.292 ( -3.820 0.000 0.237) 3.827 5.350 ( 3.968 0.000 -0.895) 4.068 5.369 ( 3.729 0.000 0.960) 3.851 5.589 ( -4.012 0.000 0.313) 4.025 5.592 ( -4.339 0.000 -0.255) 4.347 5.938 ( -2.382 0.000 -1.882) 3.036 6.044 ( -3.493 0.000 3.254) 4.773 6.419 ( 2.056 0.000 -1.658) 2.642 6.440 ( 3.290 0.000 1.538) 3.631 6.476 ( 2.392 0.000 -1.586) 2.871 6.775 ( -4.945 0.000 -1.326) 5.119 6.947 ( -3.888 0.000 1.782) 4.277 7.087 ( -7.306 0.000 -0.605) 7.331 7.625 ( 1.913 0.000 0.854) 2.095 7.694 ( 2.559 0.000 -0.542) 2.615 7.758 ( 3.013 0.000 1.463) 3.349 7.786 ( 1.032 0.000 -1.525) 1.841 10.661 ( -0.045 0.000 -0.307) 0.310 10.670 ( 0.259 0.000 0.388) 0.466 10.734 ( -0.469 0.000 0.008) 0.469 10.743 ( -0.721 0.000 -0.129) 0.732 10.988 ( -0.098 0.000 -0.015) 0.100 11.001 ( -0.718 0.000 0.052) 0.720 11.053 ( -0.855 0.000 -0.042) 0.856 11.057 ( -0.891 0.000 0.034) 0.892 11.310 ( -0.689 0.000 -0.309) 0.756 11.318 ( -0.375 0.000 0.328) 0.498 11.368 ( -0.361 0.000 0.210) 0.417 11.368 ( -0.845 0.000 -0.245) 0.880 11.936 ( 1.956 0.000 -0.996) 2.195 12.068 ( 2.343 0.000 4.859) 5.394 12.212 ( 0.502 0.000 -6.914) 6.932 12.380 ( 1.782 0.000 2.969) 3.463 ======================= Grid point 4 (5/52) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.000 0.000 0.000) 0.000 0.822 ( 0.000 0.000 0.000) 0.000 0.926 ( 0.000 0.000 -0.000) 0.000 0.967 ( 0.000 0.000 0.000) 0.000 1.084 ( 0.000 0.000 0.000) 0.000 1.115 ( 0.000 0.000 0.000) 0.000 1.121 ( -0.000 0.000 -0.000) 0.000 1.147 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.229 ( 0.000 0.000 0.000) 0.000 1.279 ( -0.000 0.000 0.000) 0.000 1.293 ( 0.000 0.000 -0.000) 0.000 1.308 ( 0.000 0.000 0.000) 0.000 1.490 ( -0.000 0.000 0.000) 0.000 1.505 ( 0.000 0.000 -0.000) 0.000 1.573 ( 0.000 0.000 0.000) 0.000 1.652 ( -0.000 0.000 -0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 1.869 ( -0.000 0.000 -0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 2.092 ( -0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 2.970 ( -0.000 0.000 0.000) 0.000 2.978 ( -0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.093 ( -0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.845 ( -0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 -0.000) 0.000 3.896 ( 0.000 0.000 0.000) 0.000 3.900 ( -0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 4.440 ( -0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 0.000) 0.000 5.249 ( -0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.439 ( -0.000 0.000 0.000) 0.000 5.519 ( 0.000 0.000 0.000) 0.000 5.524 ( -0.000 0.000 0.000) 0.000 5.914 ( -0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.405 ( 0.000 0.000 0.000) 0.000 6.487 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.728 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 7.646 ( 0.000 0.000 0.000) 0.000 7.720 ( -0.000 0.000 0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 10.675 ( 0.000 0.000 0.000) 0.000 10.729 ( 0.000 0.000 0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 10.989 ( 0.000 0.000 0.000) 0.000 10.995 ( 0.000 0.000 0.000) 0.000 11.043 ( 0.000 0.000 0.000) 0.000 11.046 ( 0.000 0.000 0.000) 0.000 11.303 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 0.000 0.000) 0.000 11.359 ( 0.000 0.000 0.000) 0.000 11.366 ( 0.000 0.000 0.000) 0.000 11.952 ( 0.000 0.000 0.000) 0.000 12.114 ( 0.000 0.000 0.000) 0.000 12.187 ( -0.000 0.000 -0.000) 0.000 12.406 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/52) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 0.000 14.750 0.000) 14.750 0.349 ( 0.000 16.167 0.000) 16.167 0.661 ( 0.000 30.217 0.000) 30.217 0.677 ( 0.000 9.158 0.000) 9.158 0.825 ( 0.000 17.100 0.000) 17.100 0.927 ( 0.000 2.551 0.000) 2.551 0.956 ( 0.000 -3.545 0.000) 3.545 1.109 ( 0.000 0.586 0.000) 0.586 1.155 ( 0.000 -0.869 0.000) 0.869 1.213 ( 0.000 -1.540 0.000) 1.540 1.335 ( 0.000 1.586 0.000) 1.586 1.356 ( 0.000 9.545 0.000) 9.545 1.418 ( 0.000 -2.710 0.000) 2.710 1.424 ( 0.000 3.911 0.000) 3.911 1.495 ( 0.000 0.348 0.000) 0.348 1.570 ( 0.000 4.142 0.000) 4.142 1.663 ( 0.000 0.754 0.000) 0.754 1.722 ( 0.000 2.020 0.000) 2.020 1.756 ( 0.000 5.418 0.000) 5.418 1.761 ( 0.000 -2.711 0.000) 2.711 1.783 ( 0.000 -4.432 0.000) 4.432 1.840 ( 0.000 2.136 0.000) 2.136 1.970 ( 0.000 1.310 0.000) 1.310 2.095 ( 0.000 -1.453 0.000) 1.453 2.589 ( 0.000 21.530 0.000) 21.530 2.653 ( 0.000 7.573 0.000) 7.573 2.677 ( 0.000 7.057 0.000) 7.057 2.838 ( 0.000 -3.252 0.000) 3.252 2.960 ( 0.000 0.662 0.000) 0.662 3.088 ( 0.000 0.493 0.000) 0.493 3.146 ( 0.000 -6.049 0.000) 6.049 3.176 ( 0.000 -5.996 0.000) 5.996 3.248 ( 0.000 -0.676 0.000) 0.676 3.257 ( 0.000 -0.174 0.000) 0.174 3.345 ( 0.000 -0.033 0.000) 0.033 3.387 ( 0.000 -3.713 0.000) 3.713 3.550 ( 0.000 -2.848 0.000) 2.848 3.646 ( 0.000 -1.265 0.000) 1.265 3.715 ( 0.000 -1.816 0.000) 1.816 3.732 ( 0.000 -1.048 0.000) 1.048 3.803 ( 0.000 3.219 0.000) 3.219 3.842 ( 0.000 2.905 0.000) 2.905 3.888 ( 0.000 2.267 0.000) 2.267 3.917 ( 0.000 3.419 0.000) 3.419 4.325 ( 0.000 4.235 0.000) 4.235 4.402 ( 0.000 2.421 0.000) 2.421 4.897 ( 0.000 -2.381 0.000) 2.381 4.913 ( 0.000 -2.811 0.000) 2.811 4.949 ( 0.000 8.428 0.000) 8.428 5.023 ( 0.000 3.458 0.000) 3.458 5.340 ( 0.000 6.978 0.000) 6.978 5.525 ( 0.000 -1.597 0.000) 1.597 5.550 ( 0.000 -0.683 0.000) 0.683 5.614 ( 0.000 0.282 0.000) 0.282 5.648 ( 0.000 -1.455 0.000) 1.455 5.666 ( 0.000 -1.939 0.000) 1.939 6.086 ( 0.000 -0.829 0.000) 0.829 6.152 ( 0.000 2.353 0.000) 2.353 6.170 ( 0.000 2.297 0.000) 2.297 6.456 ( 0.000 -1.968 0.000) 1.968 6.716 ( 0.000 -0.515 0.000) 0.515 6.756 ( 0.000 -3.136 0.000) 3.136 6.934 ( 0.000 -5.215 0.000) 5.215 7.083 ( 0.000 -4.569 0.000) 4.569 7.293 ( 0.000 3.447 0.000) 3.447 7.357 ( 0.000 2.388 0.000) 2.388 7.492 ( 0.000 -2.119 0.000) 2.119 7.502 ( 0.000 -1.874 0.000) 1.874 10.659 ( 0.000 -0.888 0.000) 0.888 10.671 ( 0.000 -1.264 0.000) 1.264 10.727 ( 0.000 -1.922 0.000) 1.922 10.734 ( 0.000 -1.810 0.000) 1.810 11.059 ( 0.000 2.663 0.000) 2.663 11.115 ( 0.000 2.645 0.000) 2.645 11.163 ( 0.000 5.711 0.000) 5.711 11.273 ( 0.000 1.051 0.000) 1.051 11.369 ( 0.000 2.559 0.000) 2.559 11.418 ( 0.000 1.889 0.000) 1.889 11.557 ( 0.000 1.232 0.000) 1.232 11.671 ( 0.000 0.083 0.000) 0.083 11.830 ( 0.000 -1.532 0.000) 1.532 11.871 ( 0.000 -2.041 0.000) 2.041 11.884 ( 0.000 -1.275 0.000) 1.275 11.909 ( 0.000 -0.714 0.000) 0.714 ======================= Grid point 10 (7/52) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 7.777 9.852 8.319) 15.058 0.537 ( 11.012 11.842 -1.974) 16.291 0.749 ( 4.207 11.561 3.719) 12.852 0.818 ( 10.487 10.054 -6.375) 15.866 0.874 ( 9.266 12.656 2.073) 15.821 0.924 ( 1.026 6.388 -1.311) 6.601 1.029 ( 6.312 0.737 -0.069) 6.355 1.141 ( -0.663 -0.748 2.774) 2.949 1.194 ( 5.301 0.725 0.228) 5.355 1.205 ( 3.674 -0.912 -0.722) 3.854 1.297 ( -1.361 4.193 -1.456) 4.643 1.388 ( 2.374 4.397 -0.878) 5.074 1.407 ( -0.386 5.369 -1.651) 5.631 1.430 ( 0.744 -1.848 0.508) 2.056 1.483 ( -1.115 1.322 0.851) 1.927 1.555 ( -1.449 4.039 -0.416) 4.311 1.647 ( -0.736 0.127 -0.261) 0.791 1.719 ( 0.376 2.061 -0.767) 2.231 1.740 ( 0.225 1.006 0.827) 1.321 1.798 ( 2.080 -2.662 -0.551) 3.423 1.849 ( 1.184 1.079 0.067) 1.604 1.876 ( 6.097 -0.805 -1.380) 6.302 2.011 ( 2.793 0.169 3.293) 4.321 2.112 ( 2.530 -1.545 -1.752) 3.443 2.432 ( -7.335 19.292 -0.679) 20.650 2.512 ( -11.450 17.545 0.967) 20.973 2.703 ( -1.290 6.185 0.436) 6.333 2.709 ( -2.851 5.825 -0.509) 6.506 2.903 ( -1.224 -1.722 0.462) 2.163 2.940 ( -1.730 -0.997 -0.390) 2.035 3.101 ( -5.661 -2.469 -1.328) 6.317 3.145 ( -7.459 -1.404 1.895) 7.823 3.266 ( -0.862 -0.434 0.085) 0.969 3.277 ( -0.922 -1.065 -1.285) 1.907 3.381 ( 5.760 -3.526 -0.100) 6.754 3.515 ( 2.582 -6.524 1.130) 7.107 3.581 ( 2.021 -6.937 -0.411) 7.237 3.600 ( 0.533 -4.271 0.033) 4.305 3.710 ( -1.788 2.943 -0.841) 3.545 3.740 ( -2.384 2.790 0.848) 3.767 3.845 ( 3.046 2.255 1.062) 3.936 3.872 ( 1.806 2.192 -0.238) 2.850 3.970 ( 5.877 3.274 0.424) 6.740 4.061 ( 9.125 -5.419 -1.599) 10.732 4.368 ( 3.193 2.660 1.854) 4.550 4.405 ( 0.906 1.743 -2.155) 2.916 4.783 ( -7.511 -0.007 -0.453) 7.525 4.831 ( -5.827 -1.237 0.332) 5.966 5.038 ( 4.914 6.322 -0.271) 8.012 5.068 ( 3.360 4.875 0.039) 5.920 5.314 ( -1.729 3.940 0.934) 4.403 5.359 ( -6.079 4.598 -0.595) 7.645 5.541 ( -3.217 0.616 0.500) 3.313 5.602 ( -2.264 -2.100 -0.210) 3.095 5.627 ( -0.618 -1.477 0.005) 1.602 5.654 ( -3.242 1.301 -0.945) 3.619 6.044 ( -3.089 -2.487 -0.783) 4.042 6.066 ( -1.943 -2.757 1.225) 3.588 6.211 ( 3.350 1.297 -0.657) 3.652 6.528 ( -5.829 -1.411 -6.196) 8.624 6.664 ( -3.512 -3.471 0.737) 4.993 6.848 ( 1.251 -5.025 5.806) 7.779 6.951 ( 2.654 -10.084 -3.603) 11.032 7.120 ( 1.104 -6.049 0.408) 6.163 7.396 ( 8.706 3.282 0.342) 9.311 7.468 ( 9.093 -2.714 -1.319) 9.581 7.540 ( 3.455 -1.473 -0.297) 3.768 7.582 ( 8.491 -3.107 0.558) 9.058 10.653 ( -0.571 -1.119 0.083) 1.259 10.664 ( -0.593 -1.214 -0.120) 1.357 10.731 ( -0.246 -1.819 -0.133) 1.841 10.735 ( 0.245 -2.128 0.317) 2.165 11.047 ( -0.987 2.650 -0.137) 2.831 11.097 ( -1.797 2.762 0.182) 3.300 11.156 ( -0.696 5.377 0.080) 5.423 11.225 ( -4.005 5.145 -0.550) 6.544 11.355 ( -1.182 2.219 0.208) 2.523 11.395 ( -2.252 3.886 -1.215) 4.653 11.451 ( -4.848 2.800 1.307) 5.749 11.520 ( -5.967 4.837 0.261) 7.685 11.832 ( 1.430 -1.035 -0.770) 1.926 11.870 ( 3.103 -1.681 2.172) 4.144 12.051 ( 9.732 -6.224 0.961) 11.592 12.112 ( 9.157 -7.017 -4.885) 12.529 ======================= Grid point 11 (8/52) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 11.005 4.979 7.855) 14.409 0.725 ( 10.191 3.890 -2.876) 11.281 0.767 ( 1.260 3.662 -0.378) 3.891 0.947 ( 2.389 3.629 -1.453) 4.581 0.960 ( 3.273 7.095 -6.124) 9.927 1.052 ( 6.872 11.160 2.085) 13.271 1.082 ( 2.452 0.172 2.166) 3.277 1.128 ( -1.920 -0.660 2.337) 3.096 1.247 ( 0.734 2.256 -3.479) 4.211 1.298 ( 2.265 3.014 0.383) 3.790 1.368 ( -1.833 1.367 -0.784) 2.417 1.409 ( -0.721 6.046 0.925) 6.158 1.448 ( 1.312 2.311 0.763) 2.765 1.473 ( 5.953 4.737 0.122) 7.608 1.496 ( 6.481 2.618 -1.694) 7.192 1.552 ( 3.290 0.719 1.493) 3.684 1.641 ( 1.629 0.816 -0.838) 2.006 1.726 ( 0.845 0.904 -0.043) 1.238 1.747 ( -0.363 0.430 1.597) 1.694 1.793 ( -1.761 1.160 -0.830) 2.266 1.877 ( 0.677 -1.032 0.355) 1.284 1.971 ( 5.571 -0.216 -2.761) 6.221 2.094 ( 3.054 -0.699 3.354) 4.589 2.165 ( 3.166 -1.643 -1.008) 3.707 2.377 ( 1.322 11.736 -1.256) 11.877 2.420 ( -0.535 11.678 1.345) 11.768 2.664 ( -0.474 2.810 0.238) 2.860 2.684 ( -0.229 3.957 -0.271) 3.973 2.904 ( 0.499 -0.979 0.456) 1.190 2.920 ( -0.525 -0.507 -0.475) 0.871 3.005 ( -3.352 -0.085 -0.621) 3.410 3.037 ( -4.281 0.036 0.558) 4.318 3.228 ( -2.224 -0.027 -0.653) 2.318 3.266 ( 0.271 0.160 -0.150) 0.348 3.380 ( -4.381 -3.054 0.724) 5.390 3.455 ( -5.970 -2.344 -0.372) 6.424 3.623 ( 0.961 -5.090 -0.231) 5.185 3.648 ( -0.697 -2.903 0.325) 3.003 3.685 ( 1.138 1.949 -0.552) 2.324 3.700 ( 1.167 -0.437 0.572) 1.371 3.891 ( 1.574 1.572 -0.809) 2.367 3.912 ( 1.632 0.692 1.315) 2.207 4.091 ( 4.648 1.320 0.636) 4.873 4.146 ( 2.089 -0.771 -0.802) 2.367 4.387 ( -1.530 -0.170 -1.765) 2.342 4.419 ( -0.437 -0.195 1.620) 1.689 4.652 ( -5.489 -0.408 0.430) 5.521 4.714 ( -6.355 -1.788 -0.589) 6.628 5.123 ( 4.329 7.120 0.052) 8.333 5.136 ( 3.685 6.583 -0.122) 7.546 5.300 ( -0.670 1.187 -0.971) 1.673 5.304 ( -0.871 1.848 1.141) 2.340 5.442 ( -4.721 3.372 0.117) 5.803 5.475 ( -6.385 3.695 0.046) 7.377 5.628 ( -0.169 -0.234 -0.119) 0.311 5.649 ( 0.115 -0.353 0.101) 0.384 5.967 ( -5.018 -4.381 -1.392) 6.805 6.020 ( -4.864 -6.048 2.444) 8.137 6.268 ( 2.723 -2.617 0.511) 3.811 6.414 ( -1.521 -1.290 -2.244) 3.002 6.559 ( -4.249 0.944 -2.338) 4.941 6.848 ( -7.021 -6.813 6.254) 11.611 6.913 ( 0.188 -4.956 -4.849) 6.936 7.114 ( -2.881 -7.609 0.248) 8.140 7.561 ( 5.496 -0.094 -0.061) 5.497 7.608 ( 3.847 -2.016 -0.944) 4.445 7.615 ( 7.245 -1.821 2.243) 7.800 7.720 ( 4.804 -2.506 -1.456) 5.610 10.643 ( -0.571 -1.723 0.212) 1.827 10.649 ( -0.883 -1.649 -0.115) 1.874 10.724 ( -0.354 -1.712 -0.164) 1.756 10.734 ( -0.392 -1.786 0.067) 1.830 11.028 ( -0.745 2.708 -0.005) 2.809 11.060 ( -1.775 2.924 -0.027) 3.420 11.138 ( -1.159 4.965 0.198) 5.103 11.160 ( -2.351 5.968 -0.202) 6.418 11.339 ( -0.483 1.874 0.240) 1.950 11.352 ( -1.478 2.442 -0.166) 2.859 11.406 ( -1.542 2.174 -0.056) 2.666 11.438 ( -2.962 3.732 0.014) 4.764 11.877 ( 3.161 -1.331 -1.342) 3.683 11.957 ( 3.623 -2.024 3.748) 5.592 12.165 ( 4.027 -5.938 -6.900) 9.955 12.235 ( 4.982 -5.159 3.987) 8.205 ======================= Grid point 12 (9/52) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 2.316 3.965 -3.925) 6.041 0.883 ( 7.703 -0.578 5.998) 9.780 0.889 ( -3.159 2.107 -1.981) 4.283 0.941 ( 10.827 4.544 -0.753) 11.766 1.007 ( 1.939 3.963 -2.792) 5.221 1.105 ( -1.108 -0.019 0.759) 1.343 1.158 ( 1.163 4.246 1.103) 4.539 1.183 ( 5.374 4.823 1.598) 7.395 1.230 ( -0.108 3.595 0.330) 3.612 1.311 ( -2.408 2.421 -0.834) 3.515 1.333 ( 1.178 4.363 -0.511) 4.548 1.362 ( -3.263 5.077 0.741) 6.081 1.430 ( -2.501 4.633 0.089) 5.266 1.471 ( 2.634 5.739 -2.234) 6.698 1.535 ( -2.978 -1.024 1.527) 3.500 1.640 ( -1.909 1.710 -0.315) 2.582 1.682 ( 0.521 2.333 -0.309) 2.410 1.729 ( 1.164 0.075 -0.005) 1.166 1.774 ( -0.704 1.300 1.044) 1.810 1.805 ( 3.296 1.436 3.431) 4.970 1.882 ( 1.972 -0.436 -4.048) 4.524 2.058 ( 3.807 0.048 -0.195) 3.812 2.158 ( 2.475 -1.148 0.377) 2.754 2.200 ( 0.799 -0.939 0.382) 1.291 2.421 ( 2.736 6.423 -0.790) 7.026 2.442 ( 1.267 6.524 0.715) 6.684 2.713 ( 4.139 1.923 -0.005) 4.564 2.724 ( 3.869 2.218 0.041) 4.460 2.910 ( 0.928 0.223 -0.023) 0.955 2.921 ( 1.416 -0.291 0.137) 1.453 2.967 ( -1.208 -0.522 -0.188) 1.329 2.985 ( -0.917 -0.189 -0.066) 0.939 3.178 ( -2.649 0.155 -0.792) 2.769 3.216 ( -8.094 -0.937 1.122) 8.225 3.317 ( 0.069 0.330 -0.550) 0.644 3.335 ( -6.690 -0.705 0.145) 6.729 3.595 ( -1.729 2.722 0.021) 3.224 3.598 ( -1.509 3.027 0.017) 3.383 3.763 ( 5.099 -3.713 -0.263) 6.313 3.781 ( 5.005 -3.293 0.143) 5.993 3.897 ( -0.498 -0.943 -0.678) 1.264 3.933 ( -0.741 -2.136 0.816) 2.403 4.131 ( -0.158 0.729 0.217) 0.777 4.153 ( -0.560 0.166 -0.269) 0.643 4.345 ( -1.030 -1.587 -0.786) 2.049 4.396 ( -1.613 -1.014 0.629) 2.007 4.571 ( -3.547 -1.305 0.202) 3.785 4.601 ( -4.421 -1.579 -0.138) 4.696 5.190 ( 2.529 8.685 -0.246) 9.048 5.204 ( 3.026 9.171 0.185) 9.659 5.288 ( -0.714 2.532 -0.385) 2.659 5.298 ( -0.329 1.820 0.356) 1.884 5.402 ( 1.158 3.696 -0.482) 3.903 5.426 ( 0.967 3.789 0.450) 3.936 5.602 ( -3.375 1.222 0.309) 3.603 5.612 ( -4.064 1.793 -0.188) 4.446 5.858 ( -3.835 -6.634 -1.602) 7.828 5.935 ( -4.395 -8.954 2.330) 10.243 6.321 ( 1.713 -5.348 0.882) 5.684 6.427 ( 2.666 -4.473 -1.753) 5.495 6.513 ( 0.779 2.893 -0.713) 3.080 6.743 ( -4.213 -3.026 0.723) 5.237 6.882 ( -2.388 -5.233 0.063) 5.753 7.023 ( -5.714 -5.491 -0.171) 7.926 7.624 ( 1.733 -0.601 0.561) 1.918 7.669 ( 2.895 -2.588 -0.545) 3.921 7.722 ( 2.276 -3.013 1.448) 4.044 7.754 ( 0.220 -2.769 -1.301) 3.067 10.631 ( -0.556 -2.318 -0.229) 2.395 10.638 ( -0.320 -2.427 0.292) 2.465 10.716 ( -0.309 -1.539 -0.074) 1.571 10.726 ( -0.416 -1.418 -0.024) 1.478 11.021 ( -0.047 2.820 0.042) 2.821 11.035 ( -0.765 2.899 -0.031) 2.998 11.120 ( -0.791 5.010 0.221) 5.076 11.124 ( -1.425 4.961 -0.212) 5.166 11.334 ( -0.337 2.309 -0.261) 2.348 11.339 ( 0.117 2.144 0.258) 2.162 11.384 ( -0.859 1.883 0.157) 2.076 11.396 ( -1.511 2.654 -0.165) 3.058 11.920 ( 1.928 -1.380 -0.894) 2.534 12.041 ( 2.199 -2.477 4.190) 5.341 12.171 ( 1.377 -3.503 -5.819) 6.930 12.325 ( 2.279 -4.890 2.479) 5.937 ======================= Grid point 13 (10/52) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -0.000 3.664 0.000) 3.664 0.846 ( 0.000 2.475 0.000) 2.475 0.999 ( -0.000 1.452 -0.000) 1.452 1.025 ( 0.000 -2.017 -0.000) 2.017 1.062 ( 0.000 -0.564 0.000) 0.564 1.074 ( -0.000 9.761 -0.000) 9.761 1.139 ( 0.000 2.802 0.000) 2.802 1.205 ( 0.000 2.345 0.000) 2.345 1.274 ( -0.000 6.255 0.000) 6.255 1.302 ( -0.000 1.983 0.000) 1.983 1.320 ( -0.000 4.737 0.000) 4.737 1.351 ( 0.000 6.437 0.000) 6.437 1.403 ( -0.000 7.090 0.000) 7.090 1.472 ( -0.000 -2.361 0.000) 2.361 1.551 ( -0.000 4.193 0.000) 4.193 1.579 ( 0.000 0.209 -0.000) 0.209 1.675 ( 0.000 1.518 0.000) 1.518 1.727 ( 0.000 3.606 0.000) 3.606 1.771 ( 0.000 -0.300 0.000) 0.300 1.857 ( -0.000 -0.953 -0.000) 0.953 1.886 ( 0.000 1.653 0.000) 1.653 2.095 ( -0.000 0.155 0.000) 0.155 2.186 ( 0.000 -1.233 -0.000) 1.233 2.208 ( 0.000 -0.745 0.000) 0.745 2.446 ( 0.000 5.689 0.000) 5.689 2.459 ( 0.000 5.059 0.000) 5.059 2.750 ( 0.000 2.524 0.000) 2.524 2.771 ( 0.000 2.058 -0.000) 2.058 2.950 ( 0.000 -1.317 0.000) 1.317 2.965 ( -0.000 -0.391 -0.000) 0.391 2.972 ( -0.000 -0.526 0.000) 0.526 2.980 ( 0.000 -1.696 0.000) 1.696 3.088 ( -0.000 -0.309 0.000) 0.309 3.129 ( 0.000 -0.119 0.000) 0.119 3.246 ( 0.000 1.331 0.000) 1.331 3.318 ( 0.000 1.307 -0.000) 1.307 3.585 ( -0.000 3.451 0.000) 3.451 3.592 ( 0.000 3.647 0.000) 3.647 3.820 ( 0.000 -4.676 -0.000) 4.676 3.871 ( 0.000 -4.741 0.000) 4.741 3.879 ( -0.000 -1.307 0.000) 1.307 3.890 ( -0.000 -0.848 0.000) 0.848 4.125 ( 0.000 1.195 -0.000) 1.195 4.144 ( 0.000 0.416 0.000) 0.416 4.338 ( 0.000 -2.820 0.000) 2.820 4.382 ( -0.000 -1.388 0.000) 1.388 4.533 ( 0.000 -2.090 0.000) 2.090 4.557 ( 0.000 -1.494 0.000) 1.494 5.229 ( 0.000 11.742 0.000) 11.742 5.245 ( 0.000 11.296 0.000) 11.296 5.256 ( -0.000 2.362 -0.000) 2.362 5.283 ( -0.000 2.784 -0.000) 2.784 5.454 ( 0.000 3.277 0.000) 3.277 5.485 ( -0.000 3.530 0.000) 3.530 5.524 ( 0.000 0.611 0.000) 0.611 5.530 ( 0.000 0.696 0.000) 0.696 5.821 ( -0.000 -7.675 0.000) 7.675 5.901 ( 0.000 -9.830 0.000) 9.830 6.335 ( 0.000 -5.237 0.000) 5.237 6.452 ( 0.000 -5.464 0.000) 5.464 6.538 ( 0.000 1.283 0.000) 1.283 6.714 ( 0.000 -1.595 0.000) 1.595 6.849 ( -0.000 -4.339 0.000) 4.339 6.951 ( -0.000 -4.030 0.000) 4.030 7.642 ( 0.000 -0.710 0.000) 0.710 7.704 ( -0.000 -1.769 0.000) 1.769 7.734 ( 0.000 -4.170 0.000) 4.170 7.747 ( 0.000 -3.614 -0.000) 3.614 10.624 ( 0.000 -2.621 0.000) 2.621 10.636 ( 0.000 -2.816 0.000) 2.816 10.713 ( 0.000 -1.431 0.000) 1.431 10.721 ( 0.000 -1.237 0.000) 1.237 11.021 ( 0.000 2.719 0.000) 2.719 11.029 ( 0.000 2.999 0.000) 2.999 11.108 ( 0.000 4.667 0.000) 4.667 11.113 ( -0.000 5.050 0.000) 5.050 11.330 ( 0.000 2.603 0.000) 2.603 11.343 ( -0.000 2.543 0.000) 2.543 11.374 ( 0.000 1.769 0.000) 1.769 11.381 ( 0.000 1.790 0.000) 1.790 11.936 ( 0.000 -1.351 0.000) 1.351 12.080 ( 0.000 -2.993 0.000) 2.993 12.161 ( -0.000 -2.359 -0.000) 2.359 12.354 ( 0.000 -4.632 0.000) 4.632 ======================= Grid point 18 (11/52) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.000 15.183 0.000) 15.183 0.670 ( 0.000 14.019 0.000) 14.019 0.904 ( 0.000 11.333 0.000) 11.333 0.957 ( 0.000 2.713 0.000) 2.713 0.971 ( 0.000 5.138 0.000) 5.138 1.125 ( 0.000 -1.620 0.000) 1.620 1.133 ( 0.000 0.946 0.000) 0.946 1.146 ( 0.000 12.345 0.000) 12.345 1.178 ( 0.000 -0.687 0.000) 0.687 1.228 ( 0.000 17.436 0.000) 17.436 1.357 ( 0.000 -0.076 0.000) 0.076 1.369 ( 0.000 -1.307 0.000) 1.307 1.454 ( 0.000 2.310 0.000) 2.310 1.492 ( 0.000 -0.884 0.000) 0.884 1.597 ( 0.000 8.493 0.000) 8.493 1.606 ( 0.000 -5.096 0.000) 5.096 1.643 ( 0.000 -5.361 0.000) 5.361 1.644 ( 0.000 -2.049 0.000) 2.049 1.707 ( 0.000 1.460 0.000) 1.460 1.811 ( 0.000 4.212 0.000) 4.212 1.848 ( 0.000 2.339 0.000) 2.339 1.907 ( 0.000 3.327 0.000) 3.327 2.012 ( 0.000 1.072 0.000) 1.072 2.050 ( 0.000 -2.811 0.000) 2.811 2.763 ( 0.000 -0.294 0.000) 0.294 2.802 ( 0.000 0.956 0.000) 0.956 2.830 ( 0.000 7.478 0.000) 7.478 2.850 ( 0.000 8.218 0.000) 8.218 3.004 ( 0.000 1.976 0.000) 1.976 3.015 ( 0.000 -5.215 0.000) 5.215 3.036 ( 0.000 -6.367 0.000) 6.367 3.100 ( 0.000 0.303 0.000) 0.303 3.244 ( 0.000 -0.863 0.000) 0.863 3.258 ( 0.000 -0.259 0.000) 0.259 3.307 ( 0.000 -3.555 0.000) 3.555 3.320 ( 0.000 -2.703 0.000) 2.703 3.535 ( 0.000 2.009 0.000) 2.009 3.621 ( 0.000 -1.005 0.000) 1.005 3.672 ( 0.000 -2.303 0.000) 2.303 3.696 ( 0.000 -2.279 0.000) 2.279 3.903 ( 0.000 6.365 0.000) 6.365 3.933 ( 0.000 5.044 0.000) 5.044 3.949 ( 0.000 3.501 0.000) 3.501 3.989 ( 0.000 3.338 0.000) 3.338 4.413 ( 0.000 4.138 0.000) 4.138 4.489 ( 0.000 5.196 0.000) 5.196 4.805 ( 0.000 -6.200 0.000) 6.200 4.833 ( 0.000 -4.737 0.000) 4.737 5.115 ( 0.000 7.304 0.000) 7.304 5.124 ( 0.000 5.743 0.000) 5.743 5.468 ( 0.000 -3.904 0.000) 3.904 5.490 ( 0.000 5.149 0.000) 5.149 5.499 ( 0.000 -4.235 0.000) 4.235 5.617 ( 0.000 0.056 0.000) 0.056 5.626 ( 0.000 -1.482 0.000) 1.482 5.631 ( 0.000 -0.206 0.000) 0.206 6.121 ( 0.000 4.662 0.000) 4.662 6.217 ( 0.000 3.404 0.000) 3.404 6.236 ( 0.000 3.806 0.000) 3.806 6.417 ( 0.000 -1.425 0.000) 1.425 6.699 ( 0.000 -1.758 0.000) 1.758 6.707 ( 0.000 -0.290 0.000) 0.290 6.822 ( 0.000 -4.934 0.000) 4.934 6.965 ( 0.000 -6.380 0.000) 6.380 7.342 ( 0.000 1.020 0.000) 1.020 7.386 ( 0.000 0.199 0.000) 0.199 7.436 ( 0.000 -3.035 0.000) 3.035 7.443 ( 0.000 -3.381 0.000) 3.381 10.636 ( 0.000 -1.093 0.000) 1.093 10.643 ( 0.000 -1.249 0.000) 1.249 10.679 ( 0.000 -2.350 0.000) 2.350 10.687 ( 0.000 -2.456 0.000) 2.456 11.127 ( 0.000 3.512 0.000) 3.512 11.177 ( 0.000 3.094 0.000) 3.094 11.237 ( 0.000 1.215 0.000) 1.215 11.295 ( 0.000 0.477 0.000) 0.477 11.468 ( 0.000 6.008 0.000) 6.008 11.477 ( 0.000 3.478 0.000) 3.478 11.584 ( 0.000 1.251 0.000) 1.251 11.666 ( 0.000 -0.820 0.000) 0.820 11.788 ( 0.000 -2.156 0.000) 2.156 11.823 ( 0.000 -2.323 0.000) 2.323 11.857 ( 0.000 -0.944 0.000) 0.944 11.889 ( 0.000 -1.106 0.000) 1.106 ======================= Grid point 19 (12/52) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 3.094 12.838 4.261) 13.876 0.756 ( 5.737 9.717 -2.966) 11.668 0.899 ( -2.767 6.016 0.453) 6.637 0.951 ( 3.179 5.530 0.216) 6.383 1.065 ( 4.114 4.453 -4.650) 7.640 1.113 ( 0.278 0.028 0.498) 0.571 1.145 ( 0.663 3.610 -0.368) 3.689 1.169 ( 3.535 4.045 2.127) 5.778 1.237 ( 5.941 5.798 2.848) 8.776 1.306 ( 7.541 9.707 0.481) 12.302 1.360 ( -0.004 0.998 -0.550) 1.139 1.395 ( 2.866 2.686 1.046) 4.065 1.429 ( -0.062 2.401 -1.599) 2.886 1.505 ( 0.368 0.502 1.392) 1.525 1.586 ( 0.175 4.032 -0.906) 4.136 1.605 ( 0.335 -0.522 -2.113) 2.202 1.650 ( 0.225 1.899 1.473) 2.414 1.705 ( 3.818 -2.750 -0.133) 4.708 1.731 ( 3.333 -2.303 -2.278) 4.648 1.787 ( -1.761 3.493 0.940) 4.023 1.872 ( 2.511 1.132 -1.045) 2.945 1.912 ( 0.469 2.787 0.441) 2.861 2.029 ( 0.968 0.337 2.425) 2.633 2.067 ( 2.469 -2.674 -1.537) 3.951 2.693 ( -6.449 4.740 -0.207) 8.006 2.725 ( -6.779 4.283 0.608) 8.042 2.797 ( -3.810 3.838 0.329) 5.418 2.841 ( -2.189 5.318 -0.536) 5.775 2.898 ( -2.577 1.819 -0.165) 3.159 2.928 ( -2.983 0.008 0.189) 2.989 3.040 ( -1.892 -2.762 -0.785) 3.439 3.092 ( -3.618 -2.382 0.839) 4.412 3.250 ( 1.200 -0.657 0.482) 1.451 3.283 ( -1.274 -1.064 -0.843) 1.862 3.314 ( 2.284 -2.632 -0.612) 3.538 3.382 ( 2.390 -5.106 0.622) 5.672 3.510 ( -2.518 0.821 1.258) 2.933 3.541 ( -0.864 -0.335 -0.871) 1.272 3.741 ( 3.329 -1.611 -1.189) 3.885 3.790 ( 3.122 -1.175 1.336) 3.593 3.903 ( 0.572 5.172 -0.072) 5.204 3.922 ( -0.348 5.186 0.035) 5.197 4.028 ( 6.729 1.231 -0.492) 6.858 4.042 ( 4.747 3.067 0.308) 5.660 4.435 ( 1.197 3.479 1.647) 4.031 4.475 ( -0.941 4.423 -1.486) 4.760 4.731 ( -6.365 -4.329 0.075) 7.698 4.765 ( -5.680 -4.190 -0.063) 7.059 5.172 ( 4.099 5.539 0.128) 6.892 5.175 ( 4.204 5.264 -0.242) 6.741 5.422 ( -3.179 4.154 0.615) 5.267 5.443 ( -3.614 1.628 -0.169) 3.967 5.526 ( -2.016 -1.261 -1.279) 2.700 5.538 ( 0.747 -2.179 1.103) 2.554 5.611 ( -1.052 0.137 0.053) 1.062 5.678 ( -0.196 0.058 -0.281) 0.347 6.025 ( -7.379 1.507 -0.007) 7.531 6.039 ( -8.941 1.210 0.459) 9.034 6.248 ( -1.269 1.148 0.393) 1.756 6.455 ( -3.451 -5.427 -2.711) 6.979 6.624 ( -2.732 0.283 0.959) 2.910 6.754 ( -2.055 -3.346 2.654) 4.740 6.803 ( 1.497 -4.944 -2.651) 5.807 6.974 ( -0.602 -7.618 0.394) 7.652 7.425 ( 6.281 -1.214 1.061) 6.485 7.435 ( 5.984 0.067 -0.902) 6.052 7.497 ( 4.778 -2.271 -0.249) 5.296 7.526 ( 7.538 -2.609 0.009) 7.976 10.627 ( -0.864 -1.097 0.048) 1.397 10.635 ( -0.794 -1.278 -0.030) 1.505 10.684 ( -0.095 -2.417 -0.106) 2.421 10.686 ( 0.234 -2.473 0.159) 2.489 11.114 ( -1.106 3.418 0.018) 3.593 11.161 ( -1.508 3.157 -0.044) 3.499 11.226 ( -0.991 1.073 0.118) 1.465 11.277 ( -1.670 0.682 -0.086) 1.806 11.448 ( -1.327 5.730 -0.026) 5.882 11.483 ( -0.262 4.336 0.045) 4.344 11.519 ( -4.567 3.373 0.014) 5.678 11.613 ( -4.687 2.974 -0.038) 5.551 11.807 ( 1.233 -1.117 -0.641) 1.783 11.826 ( 2.752 -1.985 1.135) 3.578 11.928 ( 7.145 -4.717 -0.452) 8.574 11.995 ( 6.141 -4.772 -0.359) 7.786 ======================= Grid point 20 (13/52) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 5.391 7.225 4.692) 10.162 0.824 ( 6.406 5.335 -2.130) 8.604 0.875 ( 0.423 6.887 -0.790) 6.945 1.010 ( -3.635 0.407 -2.151) 4.243 1.016 ( 3.269 2.162 -0.770) 3.994 1.105 ( -1.358 -0.941 0.475) 1.719 1.191 ( 3.500 7.297 0.354) 8.101 1.277 ( 3.732 6.753 2.196) 8.022 1.334 ( 0.915 5.646 -1.660) 5.956 1.350 ( 0.319 -0.465 -0.870) 1.037 1.397 ( 1.513 2.052 1.270) 2.848 1.463 ( 5.779 0.352 1.213) 5.915 1.512 ( -0.477 2.242 0.465) 2.338 1.548 ( -0.491 0.904 -2.974) 3.147 1.589 ( 6.288 4.814 0.387) 7.929 1.638 ( -1.816 3.512 0.715) 4.018 1.676 ( 7.714 5.690 0.238) 9.589 1.737 ( -0.820 -0.416 1.527) 1.782 1.761 ( 2.654 0.740 -2.948) 4.035 1.797 ( 0.747 1.093 1.998) 2.397 1.888 ( -0.452 1.208 -0.215) 1.307 1.972 ( 6.227 0.335 -2.874) 6.866 2.079 ( 2.223 -0.846 2.896) 3.748 2.126 ( 4.035 -1.865 -0.759) 4.510 2.588 ( -2.862 6.692 -0.471) 7.293 2.618 ( -3.401 6.061 0.601) 6.976 2.726 ( -2.265 3.218 0.400) 3.955 2.776 ( -2.606 4.185 -0.411) 4.947 2.901 ( 1.236 0.931 0.217) 1.563 2.928 ( 1.216 0.943 -0.346) 1.577 2.995 ( -1.979 -0.837 -0.519) 2.211 3.032 ( -3.071 -0.557 0.616) 3.181 3.224 ( -2.259 -0.637 -0.900) 2.514 3.268 ( 0.215 -0.825 0.457) 0.967 3.312 ( -2.593 -3.477 -0.231) 4.344 3.377 ( -3.375 -5.021 0.778) 6.099 3.509 ( 2.045 -1.799 -0.300) 2.740 3.542 ( 1.146 -1.437 0.132) 1.842 3.772 ( 0.652 1.294 -0.532) 1.543 3.810 ( -0.816 2.903 0.554) 3.066 3.901 ( -1.472 2.980 -0.489) 3.359 3.911 ( -1.222 2.805 0.651) 3.128 4.123 ( 3.173 1.354 0.088) 3.451 4.140 ( 3.445 0.340 -0.177) 3.467 4.434 ( -2.006 3.832 -1.572) 4.602 4.455 ( -0.916 2.898 1.564) 3.418 4.611 ( -5.686 -3.174 0.173) 6.514 4.646 ( -6.178 -4.000 -0.222) 7.363 5.233 ( 2.590 3.301 0.117) 4.197 5.243 ( 2.886 3.268 -0.153) 4.362 5.401 ( 1.245 6.718 -0.612) 6.859 5.425 ( 1.831 5.899 0.606) 6.207 5.488 ( -2.399 0.561 -0.274) 2.479 5.506 ( -3.043 0.310 0.274) 3.071 5.634 ( 1.757 -0.135 1.665) 2.424 5.646 ( -0.896 1.838 -1.534) 2.556 5.893 ( -6.547 -1.678 0.148) 6.760 5.909 ( -6.961 -2.583 -0.067) 7.425 6.202 ( -2.518 -4.220 1.367) 5.101 6.333 ( -4.447 -6.305 -2.377) 8.073 6.586 ( -1.715 1.677 -0.743) 2.511 6.703 ( -4.125 -5.290 4.298) 7.967 6.798 ( -0.486 -5.596 -3.819) 6.792 6.942 ( -2.871 -8.351 0.866) 8.873 7.526 ( 4.417 -1.992 -0.394) 4.861 7.554 ( 3.936 -2.368 0.178) 4.597 7.591 ( 4.684 -1.490 0.743) 4.971 7.652 ( 4.362 -3.762 -0.570) 5.789 10.609 ( -1.050 -1.179 0.114) 1.583 10.614 ( -1.261 -1.287 -0.063) 1.803 10.679 ( -0.210 -2.378 -0.180) 2.394 10.689 ( -0.138 -2.504 0.136) 2.511 11.095 ( -0.751 3.322 0.154) 3.410 11.128 ( -1.581 3.268 -0.282) 3.641 11.208 ( -1.014 1.139 0.528) 1.614 11.239 ( -1.947 1.255 -0.402) 2.351 11.424 ( -1.056 5.553 0.115) 5.653 11.446 ( -2.571 5.508 -0.135) 6.080 11.471 ( -1.164 3.844 0.114) 4.018 11.530 ( -3.497 4.407 -0.116) 5.627 11.847 ( 2.990 -1.036 -0.988) 3.315 11.904 ( 3.557 -2.569 2.543) 5.071 12.038 ( 5.100 -5.532 -3.710) 8.389 12.105 ( 4.958 -6.566 2.065) 8.483 ======================= Grid point 21 (14/52) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 1.358 4.560 -1.223) 4.912 0.878 ( 3.035 0.521 1.164) 3.292 0.929 ( -1.574 0.876 0.409) 1.847 1.026 ( 0.161 -0.587 1.005) 1.175 1.050 ( 8.498 5.628 -1.621) 10.321 1.122 ( 4.414 2.943 -0.150) 5.307 1.255 ( 1.970 4.463 -1.194) 5.022 1.295 ( 1.273 6.629 -0.685) 6.785 1.350 ( 0.345 0.291 -0.922) 1.027 1.403 ( 1.492 7.655 4.417) 8.963 1.426 ( 2.452 2.266 -0.377) 3.360 1.456 ( -4.444 4.302 -0.579) 6.213 1.490 ( -3.061 1.361 0.116) 3.352 1.524 ( 0.488 0.593 -0.182) 0.789 1.600 ( -1.930 4.932 -0.567) 5.326 1.650 ( -0.764 -0.575 -0.261) 0.991 1.717 ( -0.524 -0.004 -1.099) 1.217 1.735 ( 0.388 0.243 0.772) 0.898 1.794 ( -0.207 1.050 1.287) 1.674 1.845 ( -1.240 0.872 3.094) 3.446 1.916 ( 5.939 5.060 -3.494) 8.549 2.069 ( 3.922 1.193 -0.924) 4.202 2.134 ( 2.382 -0.896 0.781) 2.663 2.184 ( 1.849 -0.572 0.252) 1.952 2.583 ( 1.479 7.681 -0.447) 7.835 2.598 ( -0.238 7.446 0.520) 7.468 2.752 ( 4.493 1.402 -0.156) 4.710 2.775 ( 2.856 1.900 0.061) 3.431 2.921 ( 0.791 0.505 0.150) 0.950 2.932 ( -0.019 1.269 -0.359) 1.319 2.960 ( -1.572 0.343 0.193) 1.620 2.986 ( -1.700 0.617 -0.082) 1.810 3.180 ( -4.183 -0.402 -0.712) 4.262 3.198 ( -5.947 -0.434 0.527) 5.986 3.296 ( -2.852 -3.620 0.209) 4.613 3.310 ( 0.754 -2.178 0.022) 2.305 3.566 ( 4.291 -4.244 -0.733) 6.079 3.597 ( 3.856 -3.194 0.683) 5.053 3.759 ( -2.421 0.087 -0.176) 2.429 3.766 ( -4.230 0.719 0.296) 4.301 3.869 ( -0.300 3.372 -0.227) 3.393 3.887 ( -0.668 1.629 0.194) 1.771 4.152 ( 0.153 1.045 0.069) 1.058 4.163 ( -0.124 0.725 -0.155) 0.752 4.386 ( -1.709 3.706 -0.886) 4.176 4.435 ( -1.253 2.923 0.718) 3.260 4.513 ( -4.172 -3.743 -0.631) 5.641 4.549 ( -4.177 -3.076 0.756) 5.242 5.287 ( 2.868 2.486 -0.322) 3.809 5.307 ( 3.586 1.648 0.256) 3.955 5.432 ( 1.146 5.402 0.183) 5.525 5.441 ( 0.085 2.874 -0.010) 2.875 5.476 ( 1.516 5.532 -0.276) 5.743 5.496 ( 2.114 5.020 -0.058) 5.447 5.624 ( -1.527 0.604 -1.362) 2.133 5.649 ( -2.555 1.518 1.069) 3.159 5.751 ( -7.010 -0.531 -0.307) 7.037 5.774 ( -5.625 -2.745 0.990) 6.336 6.197 ( 0.576 -6.622 0.891) 6.706 6.290 ( 0.327 -8.292 -1.186) 8.383 6.561 ( -0.048 1.987 -0.869) 2.170 6.664 ( -1.697 -3.668 2.344) 4.672 6.762 ( -1.120 -5.686 -1.759) 6.056 6.880 ( -3.676 -7.540 0.350) 8.395 7.586 ( 2.011 -2.689 0.284) 3.370 7.601 ( 1.932 -3.079 -0.552) 3.677 7.649 ( 0.526 -3.660 1.138) 3.869 7.677 ( -0.649 -4.279 -0.826) 4.406 10.589 ( -0.863 -1.249 -0.138) 1.524 10.594 ( -0.738 -1.312 0.164) 1.514 10.674 ( -0.195 -2.373 -0.083) 2.382 10.684 ( -0.247 -2.451 0.033) 2.464 11.089 ( -0.124 3.241 -0.034) 3.244 11.105 ( -0.659 3.344 0.076) 3.409 11.194 ( -0.907 1.408 0.017) 1.675 11.204 ( -1.167 1.836 -0.062) 2.177 11.411 ( -0.503 4.765 0.078) 4.792 11.416 ( -0.465 4.685 -0.053) 4.709 11.450 ( -0.933 4.168 0.029) 4.272 11.478 ( -1.936 4.654 -0.049) 5.041 11.892 ( 2.015 -0.697 -0.615) 2.220 11.978 ( 2.166 -2.936 2.491) 4.418 12.084 ( 2.405 -4.395 -3.469) 6.094 12.195 ( 2.855 -6.997 1.587) 7.722 ======================= Grid point 22 (15/52) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 0.000 3.859 -0.000) 3.859 0.898 ( -0.000 1.582 0.000) 1.582 0.965 ( -0.000 -2.462 -0.000) 2.462 0.979 ( 0.000 -1.542 0.000) 1.542 1.142 ( 0.000 5.933 0.000) 5.933 1.245 ( 0.000 2.055 -0.000) 2.055 1.249 ( -0.000 7.481 0.000) 7.481 1.306 ( 0.000 9.806 0.000) 9.806 1.358 ( 0.000 2.144 0.000) 2.144 1.392 ( -0.000 3.312 -0.000) 3.312 1.396 ( 0.000 -1.562 0.000) 1.562 1.430 ( 0.000 5.848 0.000) 5.848 1.505 ( 0.000 3.475 -0.000) 3.475 1.530 ( -0.000 4.873 -0.000) 4.873 1.555 ( 0.000 -2.018 0.000) 2.018 1.632 ( 0.000 3.290 0.000) 3.290 1.698 ( 0.000 0.470 0.000) 0.470 1.747 ( 0.000 -2.361 0.000) 2.361 1.793 ( 0.000 2.227 0.000) 2.227 1.839 ( 0.000 -0.592 0.000) 0.592 1.963 ( -0.000 5.407 -0.000) 5.407 2.100 ( -0.000 0.584 0.000) 0.584 2.166 ( 0.000 -0.462 -0.000) 0.462 2.202 ( 0.000 0.115 0.000) 0.115 2.597 ( 0.000 7.256 0.000) 7.256 2.599 ( 0.000 7.394 -0.000) 7.394 2.807 ( 0.000 1.365 0.000) 1.365 2.823 ( 0.000 1.559 -0.000) 1.559 2.932 ( 0.000 0.582 0.000) 0.582 2.952 ( -0.000 -0.256 -0.000) 0.256 2.965 ( 0.000 0.825 0.000) 0.825 2.969 ( 0.000 1.105 -0.000) 1.105 3.079 ( -0.000 -0.615 0.000) 0.615 3.123 ( 0.000 -0.485 0.000) 0.485 3.266 ( 0.000 -0.315 0.000) 0.315 3.326 ( 0.000 -1.949 0.000) 1.949 3.645 ( -0.000 -8.548 0.000) 8.548 3.671 ( 0.000 2.766 0.000) 2.766 3.689 ( 0.001 3.513 0.000) 3.513 3.689 ( -0.001 -9.286 -0.000) 9.286 3.876 ( 0.000 3.111 0.000) 3.111 3.890 ( -0.000 2.682 0.000) 2.682 4.150 ( 0.000 0.822 -0.000) 0.822 4.157 ( 0.000 0.985 0.000) 0.985 4.368 ( 0.000 3.415 0.000) 3.415 4.427 ( -0.000 3.264 -0.000) 3.264 4.466 ( 0.000 -3.927 0.000) 3.927 4.503 ( 0.000 -3.566 0.000) 3.566 5.321 ( 0.000 3.187 0.000) 3.187 5.345 ( 0.000 2.539 -0.000) 2.539 5.441 ( 0.000 1.390 0.000) 1.390 5.465 ( -0.000 -0.097 0.000) 0.097 5.511 ( -0.000 8.821 0.000) 8.821 5.549 ( 0.000 1.775 0.000) 1.775 5.558 ( -0.000 2.080 0.000) 2.080 5.569 ( 0.000 7.033 -0.000) 7.033 5.684 ( 0.000 -1.910 0.000) 1.910 5.740 ( -0.000 -1.151 0.000) 1.151 6.207 ( 0.000 -6.813 0.000) 6.813 6.294 ( 0.000 -8.998 0.000) 8.998 6.564 ( 0.000 1.304 0.000) 1.304 6.665 ( 0.000 -2.561 0.000) 2.561 6.741 ( -0.000 -5.301 0.000) 5.301 6.836 ( -0.000 -6.476 0.000) 6.476 7.607 ( 0.000 -2.518 0.000) 2.518 7.633 ( -0.000 -4.762 0.000) 4.762 7.642 ( 0.000 -3.807 0.000) 3.807 7.654 ( -0.000 -4.619 -0.000) 4.619 10.580 ( 0.000 -1.225 0.000) 1.225 10.587 ( 0.000 -1.385 0.000) 1.385 10.672 ( 0.000 -2.372 0.000) 2.372 10.682 ( 0.000 -2.435 0.000) 2.435 11.086 ( 0.000 3.116 0.000) 3.116 11.102 ( 0.000 3.509 0.000) 3.509 11.179 ( 0.000 1.474 0.000) 1.474 11.197 ( 0.000 2.057 0.000) 2.057 11.406 ( 0.000 4.326 -0.000) 4.326 11.415 ( -0.000 3.986 0.000) 3.986 11.440 ( 0.000 4.288 0.000) 4.288 11.458 ( 0.000 4.971 0.000) 4.971 11.910 ( 0.000 -0.504 0.000) 0.504 12.008 ( 0.000 -3.176 0.000) 3.176 12.095 ( 0.000 -3.700 -0.000) 3.700 12.228 ( 0.000 -6.974 0.000) 6.974 ======================= Grid point 27 (16/52) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.000 9.109 0.000) 9.109 0.925 ( 0.000 13.532 0.000) 13.532 1.011 ( 0.000 1.684 0.000) 1.684 1.070 ( 0.000 -3.113 0.000) 3.113 1.092 ( 0.000 -0.349 0.000) 0.349 1.115 ( 0.000 7.697 0.000) 7.697 1.171 ( 0.000 10.358 0.000) 10.358 1.186 ( 0.000 -8.954 0.000) 8.954 1.244 ( 0.000 5.848 0.000) 5.848 1.277 ( 0.000 -5.016 0.000) 5.016 1.340 ( 0.000 -1.307 0.000) 1.307 1.401 ( 0.000 -8.025 0.000) 8.025 1.453 ( 0.000 -1.529 0.000) 1.529 1.480 ( 0.000 -0.192 0.000) 0.192 1.541 ( 0.000 1.325 0.000) 1.325 1.581 ( 0.000 -3.106 0.000) 3.106 1.626 ( 0.000 7.332 0.000) 7.332 1.712 ( 0.000 1.122 0.000) 1.122 1.780 ( 0.000 3.488 0.000) 3.488 1.843 ( 0.000 -2.371 0.000) 2.371 1.900 ( 0.000 4.105 0.000) 4.105 1.957 ( 0.000 1.418 0.000) 1.418 1.982 ( 0.000 -3.386 0.000) 3.386 1.994 ( 0.000 -1.913 0.000) 1.913 2.801 ( 0.000 3.364 0.000) 3.364 2.840 ( 0.000 3.067 0.000) 3.067 2.871 ( 0.000 -2.822 0.000) 2.822 2.920 ( 0.000 -4.259 0.000) 4.259 2.986 ( 0.000 3.690 0.000) 3.690 3.013 ( 0.000 4.198 0.000) 4.198 3.023 ( 0.000 -0.126 0.000) 0.126 3.085 ( 0.000 -2.043 0.000) 2.043 3.231 ( 0.000 -0.106 0.000) 0.106 3.237 ( 0.000 -0.816 0.000) 0.816 3.247 ( 0.000 -1.864 0.000) 1.864 3.253 ( 0.000 -2.527 0.000) 2.527 3.582 ( 0.000 1.789 0.000) 1.789 3.615 ( 0.000 0.667 0.000) 0.667 3.622 ( 0.000 -2.234 0.000) 2.234 3.646 ( 0.000 -2.140 0.000) 2.140 4.017 ( 0.000 3.080 0.000) 3.080 4.020 ( 0.000 2.435 0.000) 2.435 4.029 ( 0.000 3.282 0.000) 3.282 4.046 ( 0.000 1.461 0.000) 1.461 4.514 ( 0.000 5.757 0.000) 5.757 4.601 ( 0.000 5.415 0.000) 5.415 4.656 ( 0.000 -7.403 0.000) 7.403 4.719 ( 0.000 -5.744 0.000) 5.744 5.250 ( 0.000 5.971 0.000) 5.971 5.263 ( 0.000 6.635 0.000) 6.635 5.369 ( 0.000 -5.269 0.000) 5.269 5.392 ( 0.000 -5.635 0.000) 5.635 5.550 ( 0.000 1.676 0.000) 1.676 5.589 ( 0.000 -1.969 0.000) 1.969 5.622 ( 0.000 0.444 0.000) 0.444 5.631 ( 0.000 -0.241 0.000) 0.241 6.236 ( 0.000 4.414 0.000) 4.414 6.270 ( 0.000 1.007 0.000) 1.007 6.323 ( 0.000 4.005 0.000) 4.005 6.387 ( 0.000 -1.969 0.000) 1.969 6.707 ( 0.000 2.934 0.000) 2.934 6.708 ( 0.000 0.527 0.000) 0.527 6.740 ( 0.000 -2.546 0.000) 2.546 6.822 ( 0.000 -6.844 0.000) 6.844 7.349 ( 0.000 0.191 0.000) 0.191 7.373 ( 0.000 -2.325 0.000) 2.325 7.378 ( 0.000 -0.362 0.000) 0.362 7.389 ( 0.000 -1.545 0.000) 1.545 10.622 ( 0.000 -0.054 0.000) 0.054 10.627 ( 0.000 -0.119 0.000) 0.119 10.637 ( 0.000 -1.450 0.000) 1.450 10.642 ( 0.000 -1.576 0.000) 1.576 11.195 ( 0.000 2.722 0.000) 2.722 11.236 ( 0.000 -1.077 0.000) 1.077 11.241 ( 0.000 2.755 0.000) 2.755 11.286 ( 0.000 -1.362 0.000) 1.362 11.550 ( 0.000 3.076 0.000) 3.076 11.567 ( 0.000 2.394 0.000) 2.394 11.607 ( 0.000 0.896 0.000) 0.896 11.635 ( 0.000 -1.896 0.000) 1.896 11.755 ( 0.000 -0.424 0.000) 0.424 11.777 ( 0.000 -1.984 0.000) 1.984 11.851 ( 0.000 0.333 0.000) 0.333 11.866 ( 0.000 -0.968 0.000) 0.968 ======================= Grid point 28 (17/52) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -0.894 10.049 2.689) 10.441 0.933 ( 0.433 6.475 -1.051) 6.574 1.024 ( 0.757 5.440 0.462) 5.512 1.045 ( -2.066 -1.993 -0.172) 2.876 1.066 ( -1.960 0.999 -0.869) 2.366 1.117 ( 0.459 3.860 -0.595) 3.933 1.197 ( 3.904 -4.218 0.177) 5.750 1.245 ( 0.845 -3.664 -0.821) 3.848 1.284 ( 7.227 5.428 -0.017) 9.038 1.348 ( 3.922 1.838 -0.304) 4.342 1.372 ( 4.114 3.101 1.578) 5.388 1.451 ( 2.787 -3.207 -0.795) 4.322 1.474 ( 1.138 -0.960 -0.155) 1.497 1.508 ( 4.756 -3.029 -0.322) 5.648 1.553 ( 0.868 0.193 -0.221) 0.916 1.604 ( 3.501 -3.063 0.321) 4.663 1.678 ( 4.428 6.121 1.498) 7.702 1.728 ( 1.523 2.013 -1.384) 2.879 1.767 ( -0.295 2.942 -0.294) 2.971 1.832 ( -1.111 -1.716 1.864) 2.767 1.904 ( 1.124 3.612 -2.072) 4.314 1.957 ( -0.385 1.313 0.363) 1.415 2.000 ( 2.948 -3.180 -1.090) 4.471 2.007 ( 1.300 -2.015 1.272) 2.714 2.748 ( -4.536 2.721 0.302) 5.298 2.779 ( -5.002 2.451 -0.956) 5.651 2.814 ( -4.272 -1.974 0.858) 4.784 2.860 ( -4.907 -3.658 -0.025) 6.121 2.960 ( -1.625 3.446 -0.269) 3.820 2.979 ( -1.924 3.399 0.104) 3.907 3.016 ( -1.300 0.332 -0.125) 1.348 3.058 ( -2.185 -1.838 0.198) 2.863 3.240 ( 0.842 0.390 -0.052) 0.930 3.249 ( -0.383 -0.322 0.176) 0.531 3.265 ( 0.918 -1.967 -1.039) 2.407 3.295 ( 1.285 -3.707 1.101) 4.075 3.571 ( -0.588 4.361 -0.060) 4.401 3.599 ( 0.689 4.463 0.067) 4.516 3.672 ( 2.424 -4.345 -0.546) 5.005 3.707 ( 3.370 -5.064 0.470) 6.101 4.027 ( 1.424 4.352 0.095) 4.580 4.041 ( 1.402 4.528 -0.293) 4.749 4.061 ( 3.753 1.059 0.056) 3.900 4.085 ( 3.302 0.500 0.178) 3.344 4.516 ( -0.450 4.337 1.529) 4.621 4.569 ( -2.558 4.228 -1.517) 5.169 4.624 ( -3.376 -5.175 0.997) 6.259 4.669 ( -4.394 -4.726 -0.940) 6.521 5.281 ( 2.256 4.905 0.191) 5.402 5.286 ( 1.788 5.340 -0.285) 5.638 5.384 ( 0.973 -4.671 0.415) 4.789 5.394 ( 0.231 -4.733 -0.434) 4.758 5.554 ( 0.255 2.690 1.104) 2.919 5.579 ( -1.285 3.205 -0.720) 3.528 5.601 ( 0.783 -1.213 0.548) 1.545 5.647 ( 0.686 -2.689 -0.718) 2.866 6.108 ( -10.205 5.283 -0.156) 11.492 6.126 ( -10.712 5.849 0.303) 12.208 6.234 ( -8.097 -2.002 0.127) 8.342 6.315 ( -7.597 -7.463 -0.410) 10.658 6.670 ( -2.261 3.473 -0.073) 4.145 6.715 ( -2.389 -0.526 0.374) 2.475 6.727 ( 0.074 -1.631 -1.052) 1.942 6.814 ( -1.492 -7.127 0.679) 7.313 7.416 ( 5.512 0.622 0.332) 5.557 7.437 ( 5.706 0.684 -0.256) 5.753 7.449 ( 5.884 -2.214 0.146) 6.288 7.471 ( 6.575 -2.391 -0.235) 7.000 10.616 ( -0.624 0.227 0.065) 0.667 10.620 ( -0.605 0.045 -0.043) 0.608 10.638 ( -0.241 -1.770 -0.083) 1.789 10.639 ( -0.058 -1.688 0.106) 1.692 11.180 ( -1.279 2.669 0.075) 2.960 11.221 ( -1.255 -0.399 -0.641) 1.465 11.225 ( -1.463 1.897 0.724) 2.502 11.269 ( -1.502 -1.346 -0.142) 2.022 11.548 ( -0.428 3.307 -0.075) 3.335 11.562 ( -0.740 2.464 -0.201) 2.580 11.581 ( -1.997 2.182 0.448) 2.992 11.627 ( -1.427 -1.458 -0.151) 2.046 11.788 ( 3.002 0.081 0.720) 3.088 11.811 ( 2.996 -0.594 -0.887) 3.180 11.861 ( 2.699 -0.545 0.496) 2.798 11.907 ( 3.110 -3.556 -0.429) 4.744 ======================= Grid point 29 (18/52) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -1.016 3.807 -0.380) 3.959 0.934 ( 0.167 4.933 1.673) 5.211 0.980 ( -3.654 -0.974 0.578) 3.826 1.019 ( -1.510 -1.428 -0.166) 2.085 1.089 ( 4.421 8.655 -0.607) 9.737 1.138 ( 2.803 5.557 -0.941) 6.295 1.255 ( 1.516 -6.192 -0.909) 6.440 1.286 ( 4.481 -4.322 0.256) 6.231 1.361 ( 1.290 4.566 0.631) 4.786 1.421 ( 2.183 2.899 0.965) 3.755 1.436 ( 2.224 2.568 -0.195) 3.403 1.481 ( -0.092 -4.508 -0.262) 4.517 1.519 ( 3.077 2.861 0.054) 4.202 1.572 ( 1.293 -0.199 -0.665) 1.468 1.606 ( 4.055 1.174 0.735) 4.285 1.677 ( 1.983 -2.580 -0.307) 3.268 1.716 ( -0.505 2.261 -1.433) 2.724 1.754 ( 0.082 -0.209 -1.130) 1.153 1.796 ( 1.887 2.620 1.530) 3.573 1.845 ( 0.087 -0.892 3.165) 3.289 1.945 ( 5.320 5.314 -1.487) 7.665 1.992 ( 5.918 1.016 -2.211) 6.399 2.062 ( 3.530 -0.530 1.267) 3.787 2.082 ( 5.205 -2.329 -0.029) 5.703 2.685 ( -1.131 3.985 0.284) 4.152 2.701 ( -1.296 3.208 -0.535) 3.501 2.761 ( -1.609 -1.347 0.908) 2.287 2.790 ( -1.727 -3.397 -0.557) 3.851 2.935 ( -0.520 2.123 -0.028) 2.186 2.959 ( -0.046 1.129 -0.355) 1.185 2.984 ( -1.691 0.446 0.428) 1.800 3.012 ( -2.424 -1.225 -0.065) 2.717 3.216 ( -2.299 0.624 -0.244) 2.394 3.231 ( -1.345 -0.524 -0.614) 1.569 3.253 ( -2.308 -2.200 0.525) 3.232 3.282 ( -2.832 -3.763 0.530) 4.740 3.567 ( -0.195 5.694 -0.253) 5.703 3.598 ( -0.651 5.509 0.131) 5.548 3.698 ( 0.056 -5.920 -0.123) 5.922 3.731 ( -0.882 -6.294 0.145) 6.357 4.052 ( 0.239 7.045 0.417) 7.061 4.059 ( 0.288 7.103 -0.401) 7.120 4.135 ( 2.840 -0.707 0.261) 2.938 4.144 ( 2.126 -0.981 -0.175) 2.348 4.498 ( -3.146 1.753 -0.705) 3.670 4.508 ( -2.267 1.774 0.774) 2.981 4.546 ( -5.148 -2.109 -0.033) 5.564 4.568 ( -4.864 -3.025 -0.113) 5.729 5.302 ( 0.734 3.485 0.139) 3.565 5.311 ( 0.645 3.716 -0.209) 3.777 5.388 ( -0.089 -4.493 -0.129) 4.496 5.399 ( -0.136 -4.350 0.111) 4.354 5.572 ( 1.774 5.133 -0.638) 5.468 5.590 ( 1.613 4.024 0.602) 4.377 5.640 ( 2.068 -0.565 1.480) 2.605 5.656 ( 0.809 -2.028 -1.133) 2.460 5.931 ( -6.964 5.480 0.376) 8.870 5.963 ( -6.322 6.986 -0.366) 9.429 6.084 ( -5.958 -6.562 0.660) 8.888 6.161 ( -6.272 -9.403 -1.118) 11.358 6.634 ( -1.641 2.278 1.071) 3.005 6.655 ( -3.003 0.938 -0.374) 3.169 6.698 ( -2.103 -2.973 -1.291) 3.864 6.775 ( -2.766 -7.111 0.792) 7.671 7.509 ( 3.516 0.639 -0.130) 3.576 7.530 ( 3.163 0.205 -0.148) 3.173 7.547 ( 3.553 -2.085 0.487) 4.148 7.574 ( 3.352 -3.233 -0.245) 4.664 10.601 ( -0.877 0.561 -0.039) 1.042 10.605 ( -0.881 0.575 0.014) 1.052 10.631 ( -0.421 -2.024 -0.088) 2.069 10.636 ( -0.340 -2.197 0.123) 2.227 11.159 ( -0.901 2.543 0.210) 2.706 11.188 ( -1.505 1.549 -0.619) 2.247 11.206 ( -0.958 -0.213 0.787) 1.257 11.236 ( -1.586 -1.209 -0.350) 2.025 11.528 ( -1.379 3.432 -0.279) 3.709 11.534 ( -1.840 3.056 0.236) 3.575 11.549 ( -1.520 2.293 0.054) 2.752 11.585 ( -2.490 -0.007 -0.026) 2.490 11.860 ( 3.621 2.434 0.096) 4.364 11.875 ( 3.937 0.331 0.295) 3.962 11.939 ( 4.353 -3.509 -1.059) 5.691 11.974 ( 3.827 -5.581 0.627) 6.796 ======================= Grid point 30 (19/52) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.338 1.674 -0.137) 1.713 0.930 ( -1.831 -0.430 0.938) 2.102 0.940 ( -0.171 1.758 0.138) 1.771 0.981 ( -1.863 -2.378 -0.730) 3.108 1.185 ( 4.972 5.522 -0.153) 7.432 1.241 ( 8.126 7.664 -0.301) 11.174 1.286 ( 1.835 -3.523 -0.139) 3.975 1.364 ( 3.156 -0.080 -0.906) 3.285 1.391 ( 0.863 2.289 1.065) 2.668 1.421 ( 0.068 2.056 -0.820) 2.215 1.475 ( 0.564 -2.734 0.104) 2.794 1.487 ( 0.617 -1.752 0.739) 1.999 1.545 ( 0.409 3.043 0.972) 3.221 1.560 ( -2.911 3.054 -0.317) 4.231 1.646 ( -1.255 1.192 0.952) 1.975 1.665 ( -0.890 0.953 0.452) 1.380 1.702 ( -0.118 -0.598 -1.352) 1.483 1.721 ( -2.043 -1.604 -1.725) 3.118 1.819 ( 0.282 1.199 0.925) 1.541 1.842 ( -1.139 -0.806 1.213) 1.848 2.046 ( 4.322 5.539 -0.975) 7.092 2.104 ( 4.957 0.914 -1.313) 5.208 2.124 ( 1.792 0.509 1.277) 2.258 2.165 ( 2.840 -1.612 0.297) 3.279 2.707 ( 1.624 4.013 0.069) 4.330 2.719 ( 1.191 3.786 -0.056) 3.969 2.760 ( 1.236 -0.939 0.300) 1.581 2.778 ( 0.942 -1.711 -0.299) 1.976 2.946 ( 1.828 1.903 -0.018) 2.639 2.965 ( 0.629 1.783 -0.525) 1.962 2.975 ( 0.822 0.130 0.686) 1.078 2.994 ( 0.585 -0.339 -0.214) 0.709 3.164 ( -5.075 -0.625 -0.414) 5.130 3.181 ( -2.004 -1.689 -0.418) 2.654 3.208 ( -3.305 -2.710 0.578) 4.313 3.218 ( -1.546 -3.927 0.227) 4.226 3.566 ( 0.790 3.804 -0.339) 3.900 3.595 ( 0.310 3.212 0.397) 3.251 3.672 ( -2.051 -5.341 0.197) 5.725 3.695 ( -2.165 -5.250 -0.085) 5.680 4.044 ( -0.681 8.917 0.349) 8.950 4.047 ( -0.747 9.073 -0.421) 9.113 4.158 ( 0.055 -1.455 -0.252) 1.478 4.165 ( 0.262 -1.662 0.160) 1.690 4.426 ( -3.549 -0.056 -0.690) 3.616 4.441 ( -3.862 -1.578 -0.599) 4.215 4.459 ( -3.627 -0.661 0.573) 3.731 4.490 ( -3.995 -2.590 0.666) 4.807 5.334 ( 2.125 1.875 -0.152) 2.838 5.335 ( 2.438 1.653 0.114) 2.948 5.388 ( 0.076 -3.563 0.000) 3.564 5.393 ( -0.230 -3.523 -0.053) 3.531 5.597 ( 0.585 4.014 -0.108) 4.058 5.610 ( 0.193 4.020 0.243) 4.032 5.649 ( -0.983 -0.295 -0.954) 1.402 5.666 ( -0.716 -0.884 0.774) 1.376 5.858 ( -1.289 8.476 0.729) 8.605 5.871 ( -2.738 9.849 -0.522) 10.236 6.040 ( 0.010 -8.205 0.622) 8.229 6.091 ( -0.891 -10.256 -0.668) 10.317 6.614 ( -0.935 2.174 -0.167) 2.372 6.621 ( -0.442 1.244 0.781) 1.534 6.658 ( -0.904 -3.738 -0.742) 3.917 6.727 ( -2.325 -6.562 0.146) 6.964 7.547 ( 0.818 -0.385 0.053) 0.906 7.558 ( 0.351 -0.828 -0.253) 0.934 7.580 ( -0.157 -2.383 0.607) 2.464 7.592 ( -0.699 -3.169 -0.419) 3.272 10.586 ( -0.631 0.927 -0.064) 1.123 10.590 ( -0.621 0.959 0.050) 1.144 10.622 ( -0.334 -2.321 -0.038) 2.346 10.630 ( -0.354 -2.504 0.035) 2.530 11.149 ( -0.317 2.341 -0.081) 2.363 11.165 ( -0.530 1.949 0.188) 2.028 11.195 ( -0.748 -0.635 -0.174) 0.997 11.209 ( -0.828 -0.886 0.091) 1.216 11.503 ( -0.934 3.129 -0.221) 3.273 11.505 ( -1.172 3.525 0.248) 3.723 11.524 ( -0.958 1.717 -0.275) 1.985 11.545 ( -1.556 0.648 0.219) 1.700 11.919 ( 2.416 3.461 -0.213) 4.226 11.946 ( 2.617 0.522 0.961) 2.837 11.996 ( 2.473 -3.606 -1.578) 4.648 12.047 ( 2.734 -6.713 0.837) 7.297 ======================= Grid point 31 (20/52) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.000 0.097 -0.000) 0.097 0.915 ( -0.000 -0.068 0.000) 0.068 0.941 ( 0.000 0.365 0.000) 0.365 0.953 ( -0.000 -0.863 0.000) 0.863 1.262 ( 0.000 4.285 0.000) 4.285 1.285 ( -0.000 1.270 -0.000) 1.270 1.364 ( -0.000 1.072 0.000) 1.072 1.378 ( 0.000 -0.218 -0.000) 0.218 1.413 ( 0.000 0.131 0.000) 0.131 1.442 ( -0.000 7.809 -0.000) 7.809 1.452 ( 0.000 -1.353 0.000) 1.353 1.477 ( 0.000 2.793 0.000) 2.793 1.523 ( -0.000 1.357 0.000) 1.357 1.559 ( 0.000 -1.541 -0.000) 1.541 1.611 ( 0.000 2.830 0.000) 2.830 1.673 ( 0.000 -3.891 0.000) 3.891 1.680 ( 0.000 1.295 0.000) 1.295 1.696 ( 0.000 -0.443 0.000) 0.443 1.825 ( 0.000 0.870 0.000) 0.870 1.833 ( 0.000 -0.096 0.000) 0.096 2.084 ( -0.000 5.328 0.000) 5.328 2.135 ( 0.000 2.878 0.000) 2.878 2.155 ( 0.000 -1.313 -0.000) 1.313 2.193 ( 0.000 -1.625 0.000) 1.625 2.714 ( 0.000 3.727 -0.000) 3.727 2.723 ( -0.000 4.357 0.000) 4.357 2.781 ( 0.000 -2.832 0.000) 2.832 2.800 ( 0.000 -3.048 -0.000) 3.048 2.981 ( -0.000 2.214 -0.000) 2.214 2.988 ( 0.000 2.883 -0.000) 2.883 2.997 ( -0.000 0.888 0.000) 0.888 3.004 ( 0.000 0.967 0.000) 0.967 3.080 ( -0.000 2.179 0.000) 2.179 3.124 ( 0.000 1.593 0.000) 1.593 3.193 ( 0.000 -6.634 0.000) 6.634 3.210 ( 0.000 -6.204 0.000) 6.204 3.581 ( 0.000 1.833 0.000) 1.833 3.603 ( 0.000 1.271 0.000) 1.271 3.650 ( 0.000 -3.392 0.000) 3.392 3.671 ( 0.000 -3.680 0.000) 3.680 4.039 ( 0.000 9.560 0.000) 9.560 4.040 ( -0.000 8.960 0.000) 8.960 4.154 ( 0.000 -1.284 0.000) 1.284 4.165 ( 0.000 -1.534 0.000) 1.534 4.390 ( -0.000 -1.284 0.000) 1.284 4.392 ( 0.000 -2.385 0.000) 2.385 4.429 ( -0.000 -2.446 0.000) 2.446 4.436 ( 0.000 -2.187 0.000) 2.187 5.363 ( 0.000 0.736 0.000) 0.736 5.374 ( 0.000 0.321 0.000) 0.321 5.383 ( -0.000 -2.296 0.000) 2.296 5.388 ( -0.000 -2.150 0.000) 2.150 5.598 ( -0.000 2.491 0.000) 2.491 5.616 ( -0.000 2.905 0.000) 2.905 5.626 ( 0.000 0.528 0.000) 0.528 5.650 ( 0.000 0.340 0.000) 0.340 5.847 ( 0.000 11.883 0.000) 11.883 5.857 ( 0.000 9.393 0.000) 9.393 6.048 ( 0.000 -8.322 0.000) 8.322 6.085 ( 0.000 -10.648 0.000) 10.648 6.606 ( 0.000 2.974 0.000) 2.974 6.627 ( 0.000 -0.643 0.000) 0.643 6.649 ( 0.000 -2.973 0.000) 2.973 6.700 ( -0.000 -5.800 0.000) 5.800 7.557 ( 0.000 -1.620 0.000) 1.620 7.558 ( -0.000 -1.970 0.000) 1.970 7.572 ( -0.000 -2.053 -0.000) 2.053 7.576 ( -0.000 -2.325 0.000) 2.325 10.579 ( 0.000 1.109 0.000) 1.109 10.584 ( 0.000 1.069 0.000) 1.069 10.619 ( 0.000 -2.436 0.000) 2.436 10.626 ( 0.000 -2.622 0.000) 2.622 11.144 ( 0.000 2.283 0.000) 2.283 11.167 ( 0.000 2.518 0.000) 2.518 11.180 ( -0.000 -1.016 0.000) 1.016 11.204 ( 0.000 -0.924 0.000) 0.924 11.493 ( -0.000 2.936 0.000) 2.936 11.495 ( 0.000 3.557 0.000) 3.557 11.513 ( 0.000 1.509 0.000) 1.509 11.531 ( 0.000 0.833 0.000) 0.833 11.942 ( 0.000 3.665 0.000) 3.665 11.976 ( 0.000 0.863 0.000) 0.863 12.015 ( 0.000 -3.642 0.000) 3.642 12.076 ( 0.000 -6.996 0.000) 6.996 ======================= Grid point 63 (21/52) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( -6.731 0.000 12.365) 14.078 0.252 ( -0.795 0.000 12.621) 12.646 0.453 ( -4.019 0.000 -3.194) 5.133 0.458 ( 7.526 0.000 -9.857) 12.401 0.534 ( 3.126 0.000 20.249) 20.489 0.940 ( 1.401 0.000 -9.109) 9.216 0.989 ( -5.844 0.000 -4.603) 7.439 1.048 ( 3.021 0.000 -2.325) 3.813 1.153 ( 1.561 0.000 3.654) 3.974 1.188 ( 0.343 0.000 2.115) 2.142 1.217 ( -0.978 0.000 -1.851) 2.093 1.251 ( -0.741 0.000 -4.548) 4.608 1.424 ( 0.202 0.000 2.518) 2.526 1.461 ( -0.246 0.000 -0.963) 0.994 1.493 ( -0.665 0.000 0.282) 0.722 1.500 ( 0.981 0.000 -0.162) 0.994 1.639 ( -0.819 0.000 0.001) 0.819 1.649 ( 0.024 0.000 -1.277) 1.277 1.745 ( -1.286 0.000 3.024) 3.287 1.797 ( -0.747 0.000 -2.039) 2.172 1.806 ( -1.192 0.000 0.121) 1.198 1.808 ( 1.023 0.000 0.026) 1.024 1.996 ( -0.541 0.000 0.258) 0.599 2.000 ( 0.638 0.000 -0.073) 0.642 2.250 ( 4.208 0.000 4.790) 6.376 2.329 ( -11.313 0.000 -3.028) 11.711 2.600 ( -4.812 0.000 0.463) 4.834 2.613 ( 13.653 0.000 -0.750) 13.673 2.955 ( 0.017 0.000 0.248) 0.249 2.959 ( 0.002 0.000 -0.117) 0.117 3.224 ( 1.389 0.000 0.688) 1.550 3.239 ( 1.750 0.000 -0.764) 1.909 3.249 ( 0.242 0.000 1.023) 1.052 3.271 ( -2.081 0.000 -1.022) 2.319 3.454 ( -1.019 0.000 1.803) 2.071 3.493 ( -1.473 0.000 -2.000) 2.484 3.590 ( 2.479 0.000 0.156) 2.484 3.591 ( -3.786 0.000 0.083) 3.786 3.741 ( -0.265 0.000 -0.044) 0.268 3.742 ( -0.611 0.000 -0.126) 0.624 3.749 ( -2.733 0.000 0.129) 2.736 3.750 ( 1.285 0.000 0.032) 1.285 3.861 ( -2.055 0.000 0.381) 2.090 3.868 ( 0.678 0.000 -0.372) 0.773 4.282 ( 0.898 0.000 1.091) 1.413 4.304 ( -0.827 0.000 -1.031) 1.322 4.832 ( -0.686 0.000 0.035) 0.687 4.833 ( 0.715 0.000 -0.045) 0.716 4.939 ( 3.300 0.000 0.135) 3.303 4.941 ( -0.892 0.000 -0.120) 0.900 5.271 ( 0.739 0.000 0.708) 1.023 5.287 ( -0.832 0.000 -0.831) 1.176 5.554 ( 2.592 0.000 0.229) 2.602 5.558 ( -7.844 0.000 -0.158) 7.845 5.673 ( 0.259 0.000 0.552) 0.610 5.685 ( -0.921 0.000 -0.587) 1.092 6.107 ( 0.659 0.000 0.198) 0.688 6.112 ( -0.706 0.000 -0.259) 0.752 6.141 ( 9.266 0.000 0.186) 9.268 6.144 ( -2.673 0.000 -0.128) 2.676 6.802 ( -0.654 0.000 0.232) 0.694 6.807 ( 0.675 0.000 -0.248) 0.719 7.143 ( -0.200 0.000 0.652) 0.682 7.157 ( 2.359 0.000 -0.714) 2.464 7.247 ( 2.333 0.000 0.512) 2.389 7.257 ( -2.011 0.000 -0.430) 2.057 7.522 ( 0.046 0.000 0.319) 0.322 7.528 ( 1.052 0.000 -0.293) 1.093 10.671 ( 0.102 0.000 0.210) 0.234 10.675 ( -0.102 0.000 -0.208) 0.232 10.754 ( 0.798 0.000 0.025) 0.798 10.754 ( -0.209 0.000 -0.023) 0.210 11.081 ( -0.076 0.000 0.030) 0.082 11.082 ( 0.135 0.000 -0.040) 0.141 11.083 ( 0.211 0.000 0.029) 0.213 11.084 ( -1.107 0.000 -0.018) 1.108 11.348 ( 0.093 0.000 0.136) 0.165 11.351 ( -0.094 0.000 -0.139) 0.168 11.544 ( -3.951 0.000 0.215) 3.957 11.548 ( 11.590 0.000 -0.211) 11.592 11.853 ( 2.109 0.000 0.716) 2.227 11.872 ( -4.308 0.000 -1.239) 4.483 11.938 ( 12.368 0.000 1.472) 12.455 11.962 ( -24.797 0.000 -0.946) 24.815 ======================= Grid point 64 (22/52) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 12.429 0.000 -2.302) 12.640 0.424 ( 13.716 0.000 7.242) 15.510 0.611 ( 14.056 0.000 -2.524) 14.281 0.626 ( 4.493 0.000 -13.294) 14.033 0.787 ( 8.865 0.000 17.511) 19.627 0.924 ( 2.270 0.000 3.176) 3.903 1.003 ( 11.078 0.000 -8.916) 14.221 1.130 ( 5.700 0.000 0.072) 5.701 1.185 ( 1.818 0.000 -2.840) 3.372 1.197 ( -0.192 0.000 2.252) 2.260 1.221 ( 0.622 0.000 -4.348) 4.392 1.223 ( 4.253 0.000 3.078) 5.250 1.435 ( -0.795 0.000 2.074) 2.221 1.438 ( -1.425 0.000 -1.589) 2.134 1.477 ( -1.570 0.000 -0.061) 1.572 1.503 ( -0.293 0.000 -0.667) 0.729 1.637 ( -0.656 0.000 1.113) 1.292 1.693 ( 2.075 0.000 -1.768) 2.726 1.784 ( 1.056 0.000 2.065) 2.319 1.788 ( -0.722 0.000 -1.060) 1.282 1.850 ( 4.704 0.000 -0.508) 4.732 1.886 ( 4.353 0.000 1.831) 4.723 2.062 ( 6.910 0.000 -0.106) 6.910 2.076 ( 7.032 0.000 -0.336) 7.040 2.132 ( -1.785 0.000 -1.083) 2.087 2.168 ( -5.875 0.000 2.128) 6.249 2.607 ( 1.880 0.000 -0.707) 2.009 2.659 ( -1.676 0.000 0.588) 1.776 2.936 ( -0.865 0.000 0.707) 1.117 2.940 ( -0.657 0.000 -0.915) 1.126 3.123 ( -8.736 0.000 -0.096) 8.736 3.172 ( -7.929 0.000 -0.041) 7.929 3.268 ( -1.541 0.000 0.707) 1.696 3.270 ( -0.663 0.000 -0.748) 0.999 3.512 ( 3.071 0.000 4.321) 5.302 3.519 ( 0.500 0.000 -4.231) 4.260 3.664 ( -3.012 0.000 -0.891) 3.141 3.675 ( 0.551 0.000 0.966) 1.112 3.723 ( -0.432 0.000 -0.380) 0.576 3.743 ( 3.018 0.000 0.236) 3.027 3.782 ( 0.782 0.000 -0.797) 1.116 3.828 ( 2.717 0.000 0.479) 2.759 4.010 ( 9.015 0.000 7.896) 11.984 4.037 ( 10.242 0.000 -7.843) 12.900 4.343 ( 4.843 0.000 -0.123) 4.845 4.370 ( 6.432 0.000 -0.055) 6.432 4.752 ( -5.219 0.000 0.561) 5.249 4.789 ( -3.702 0.000 -0.936) 3.819 4.979 ( 3.420 0.000 -0.254) 3.429 4.999 ( 2.394 0.000 -0.371) 2.422 5.277 ( 0.310 0.000 -0.881) 0.934 5.300 ( 1.430 0.000 1.130) 1.823 5.540 ( -3.517 0.000 -2.544) 4.340 5.580 ( -7.261 0.000 3.237) 7.950 5.646 ( -1.717 0.000 -0.115) 1.720 5.655 ( 0.164 0.000 0.080) 0.182 6.078 ( -2.704 0.000 -0.023) 2.704 6.141 ( 2.547 0.000 0.426) 2.583 6.218 ( 7.937 0.000 7.267) 10.761 6.377 ( 5.240 0.000 -8.391) 9.893 6.676 ( -10.625 0.000 -2.188) 10.848 6.814 ( 3.674 0.000 -6.461) 7.432 7.132 ( -3.058 0.000 2.677) 4.064 7.232 ( 1.104 0.000 -0.291) 1.142 7.363 ( 15.390 0.000 3.817) 15.856 7.454 ( 12.431 0.000 -3.722) 12.977 7.562 ( 3.603 0.000 0.429) 3.628 7.589 ( 5.108 0.000 -3.321) 6.092 10.670 ( -0.324 0.000 -0.255) 0.412 10.673 ( -0.103 0.000 0.303) 0.320 10.749 ( -0.240 0.000 -0.098) 0.259 10.762 ( 0.016 0.000 -0.519) 0.520 11.037 ( -2.720 0.000 1.281) 3.007 11.064 ( -2.031 0.000 -0.215) 2.043 11.079 ( -0.288 0.000 -0.040) 0.291 11.081 ( -0.161 0.000 0.029) 0.164 11.344 ( -0.627 0.000 -0.216) 0.663 11.346 ( -0.499 0.000 0.240) 0.554 11.430 ( -4.224 0.000 -1.945) 4.650 11.476 ( -7.108 0.000 1.922) 7.363 11.840 ( 0.997 0.000 0.305) 1.043 11.939 ( 5.435 0.000 1.705) 5.696 11.990 ( 10.260 0.000 -7.548) 12.737 12.238 ( 10.467 0.000 7.009) 12.597 ======================= Grid point 65 (23/52) ======================= q-point: ( 0.25 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 3.622 0.000 -12.318) 12.840 0.602 ( 13.537 0.000 -2.564) 13.778 0.744 ( 13.135 0.000 5.856) 14.382 0.810 ( 8.188 0.000 -1.759) 8.375 0.933 ( -3.540 0.000 3.835) 5.219 1.016 ( 5.753 0.000 10.119) 11.640 1.100 ( 4.996 0.000 -4.529) 6.744 1.160 ( -1.271 0.000 -0.551) 1.385 1.220 ( 2.131 0.000 -4.204) 4.713 1.229 ( 0.548 0.000 4.543) 4.576 1.320 ( 3.716 0.000 0.690) 3.780 1.383 ( -0.391 0.000 -1.719) 1.763 1.402 ( -4.396 0.000 0.914) 4.490 1.414 ( -1.813 0.000 0.519) 1.885 1.443 ( 9.159 0.000 -1.989) 9.372 1.562 ( 9.318 0.000 -1.720) 9.476 1.623 ( -0.542 0.000 1.536) 1.629 1.698 ( 0.080 0.000 -1.624) 1.626 1.737 ( -3.232 0.000 -1.047) 3.397 1.804 ( -0.233 0.000 1.620) 1.637 1.924 ( -1.220 0.000 2.928) 3.171 1.929 ( 4.714 0.000 -1.918) 5.089 2.159 ( 1.330 0.000 2.328) 2.682 2.173 ( 4.231 0.000 -1.721) 4.568 2.221 ( 8.625 0.000 -0.708) 8.654 2.237 ( 8.538 0.000 -0.114) 8.539 2.628 ( 1.816 0.000 -0.420) 1.864 2.638 ( 0.350 0.000 0.462) 0.580 2.921 ( -0.888 0.000 -0.662) 1.107 2.930 ( -0.300 0.000 0.718) 0.778 2.998 ( -3.562 0.000 0.127) 3.565 3.035 ( -5.466 0.000 -0.520) 5.490 3.238 ( -2.047 0.000 1.373) 2.465 3.254 ( -0.168 0.000 -0.554) 0.579 3.443 ( -4.955 0.000 -2.095) 5.379 3.467 ( -8.350 0.000 2.131) 8.617 3.599 ( -2.276 0.000 -0.805) 2.414 3.634 ( -4.344 0.000 0.509) 4.374 3.778 ( 2.447 0.000 -0.167) 2.453 3.786 ( 0.979 0.000 0.070) 0.981 3.802 ( 3.884 0.000 0.078) 3.885 3.900 ( 4.805 0.000 -0.829) 4.876 4.116 ( 3.316 0.000 -2.390) 4.087 4.127 ( 1.655 0.000 2.939) 3.373 4.395 ( -0.044 0.000 0.272) 0.275 4.447 ( 1.208 0.000 -0.369) 1.263 4.673 ( -4.562 0.000 2.384) 5.147 4.690 ( -5.340 0.000 -2.084) 5.732 5.041 ( 2.099 0.000 -0.108) 2.102 5.042 ( 2.925 0.000 0.039) 2.926 5.288 ( 1.488 0.000 -0.580) 1.597 5.334 ( 1.503 0.000 0.616) 1.624 5.389 ( -7.834 0.000 -0.820) 7.877 5.408 ( -8.699 0.000 0.651) 8.723 5.640 ( -0.672 0.000 0.482) 0.826 5.644 ( -1.625 0.000 -0.448) 1.685 5.998 ( -5.053 0.000 -0.312) 5.062 6.144 ( -2.292 0.000 -1.762) 2.891 6.364 ( 0.778 0.000 8.084) 8.121 6.399 ( 2.807 0.000 -0.643) 2.880 6.517 ( -3.867 0.000 1.094) 4.018 6.761 ( -2.576 0.000 -9.126) 9.482 7.104 ( -4.261 0.000 5.768) 7.171 7.179 ( -4.463 0.000 -2.886) 5.314 7.601 ( 3.822 0.000 3.195) 4.982 7.616 ( 5.089 0.000 -0.623) 5.127 7.666 ( 6.776 0.000 -5.251) 8.573 7.689 ( 7.902 0.000 3.181) 8.519 10.661 ( -0.334 0.000 -0.264) 0.426 10.673 ( -0.093 0.000 0.247) 0.264 10.744 ( -0.369 0.000 0.216) 0.427 10.753 ( -0.561 0.000 -0.364) 0.669 11.004 ( -1.394 0.000 0.646) 1.536 11.022 ( -1.708 0.000 -0.472) 1.772 11.069 ( -0.760 0.000 0.034) 0.761 11.073 ( -0.709 0.000 -0.036) 0.710 11.322 ( -1.047 0.000 -0.421) 1.128 11.334 ( -0.793 0.000 0.291) 0.844 11.382 ( -0.952 0.000 0.005) 0.952 11.395 ( -2.653 0.000 0.040) 2.653 11.886 ( 2.809 0.000 0.718) 2.900 12.062 ( 6.051 0.000 -3.107) 6.802 12.075 ( 3.212 0.000 0.344) 3.230 12.377 ( 2.188 0.000 2.741) 3.507 ======================= Grid point 66 (24/52) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 7.344 0.000 -1.124) 7.430 0.813 ( 9.212 0.000 -1.662) 9.361 0.890 ( -1.897 0.000 4.186) 4.595 0.907 ( 3.950 0.000 -2.586) 4.722 0.990 ( 8.356 0.000 3.383) 9.015 1.119 ( -1.410 0.000 -2.831) 3.163 1.140 ( 0.024 0.000 -4.383) 4.383 1.149 ( 2.195 0.000 3.758) 4.352 1.233 ( -2.438 0.000 2.158) 3.256 1.240 ( 1.078 0.000 -3.794) 3.944 1.297 ( -3.190 0.000 1.082) 3.369 1.322 ( -2.970 0.000 -0.118) 2.972 1.358 ( 2.318 0.000 0.889) 2.482 1.378 ( -2.043 0.000 5.247) 5.631 1.571 ( -2.639 0.000 1.518) 3.044 1.579 ( 5.002 0.000 -4.393) 6.657 1.671 ( -3.618 0.000 1.220) 3.818 1.692 ( -0.930 0.000 -3.192) 3.325 1.737 ( 3.891 0.000 -0.607) 3.938 1.796 ( 0.068 0.000 -2.196) 2.197 1.929 ( 0.339 0.000 5.279) 5.290 2.031 ( 6.248 0.000 -2.507) 6.733 2.189 ( 0.472 0.000 1.094) 1.192 2.217 ( 1.004 0.000 -0.313) 1.051 2.347 ( 4.503 0.000 -0.251) 4.510 2.361 ( 4.306 0.000 -0.103) 4.307 2.693 ( 3.730 0.000 0.270) 3.740 2.696 ( 4.756 0.000 -0.214) 4.761 2.914 ( 1.625 0.000 0.158) 1.633 2.929 ( 0.271 0.000 -0.283) 0.392 2.973 ( -0.514 0.000 0.313) 0.602 2.981 ( 0.852 0.000 -0.082) 0.856 3.186 ( -4.559 0.000 1.038) 4.676 3.227 ( -4.720 0.000 -0.959) 4.816 3.314 ( -5.757 0.000 0.675) 5.796 3.336 ( -5.737 0.000 -0.577) 5.766 3.559 ( -1.139 0.000 -0.051) 1.140 3.560 ( -2.028 0.000 -0.036) 2.028 3.810 ( 2.337 0.000 0.180) 2.344 3.815 ( 2.771 0.000 -0.090) 2.773 3.886 ( 2.439 0.000 0.622) 2.517 3.951 ( 0.158 0.000 -0.817) 0.832 4.139 ( -1.272 0.000 0.959) 1.593 4.140 ( 0.121 0.000 -0.778) 0.787 4.399 ( 0.777 0.000 0.810) 1.122 4.438 ( -0.555 0.000 -0.612) 0.827 4.593 ( -2.912 0.000 -1.223) 3.158 4.597 ( -3.988 0.000 1.177) 4.158 5.071 ( 1.060 0.000 0.039) 1.061 5.083 ( 1.401 0.000 -0.024) 1.401 5.277 ( -3.898 0.000 0.164) 3.901 5.291 ( -4.057 0.000 -0.285) 4.067 5.341 ( 4.286 0.000 -0.009) 4.286 5.379 ( 3.351 0.000 0.008) 3.351 5.587 ( -4.009 0.000 -0.222) 4.015 5.594 ( -4.398 0.000 0.188) 4.402 5.926 ( -1.811 0.000 0.759) 1.964 6.051 ( -4.260 0.000 -2.341) 4.861 6.441 ( 4.929 0.000 -1.381) 5.118 6.473 ( 3.163 0.000 1.622) 3.555 6.488 ( -2.612 0.000 8.026) 8.440 6.665 ( -0.705 0.000 -7.900) 7.931 7.020 ( -7.101 0.000 3.986) 8.144 7.056 ( -5.684 0.000 -2.591) 6.246 7.657 ( 0.902 0.000 2.162) 2.343 7.672 ( 2.745 0.000 -1.793) 3.279 7.752 ( 3.459 0.000 -1.601) 3.811 7.786 ( 1.195 0.000 1.303) 1.768 10.658 ( 0.137 0.000 -0.004) 0.137 10.673 ( 0.056 0.000 -0.065) 0.086 10.737 ( -0.539 0.000 0.269) 0.603 10.739 ( -0.567 0.000 -0.201) 0.601 10.991 ( -0.307 0.000 0.274) 0.411 10.998 ( -0.572 0.000 -0.291) 0.642 11.053 ( -0.854 0.000 0.083) 0.858 11.056 ( -0.888 0.000 -0.078) 0.892 11.307 ( -0.420 0.000 0.040) 0.422 11.321 ( -0.631 0.000 -0.028) 0.632 11.364 ( -0.720 0.000 -0.123) 0.730 11.371 ( -0.483 0.000 0.117) 0.497 11.941 ( 1.996 0.000 1.436) 2.459 12.073 ( 0.922 0.000 -5.717) 5.790 12.186 ( 3.628 0.000 5.617) 6.687 12.398 ( -0.009 0.000 -1.239) 1.239 ======================= Grid point 67 (25/52) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 3.562 0.000 5.338) 6.418 0.898 ( 1.494 0.000 -4.122) 4.384 0.898 ( 0.380 0.000 5.487) 5.501 0.982 ( 4.315 0.000 1.677) 4.630 1.011 ( -5.893 0.000 -7.432) 9.485 1.037 ( -6.415 0.000 -3.344) 7.234 1.130 ( 5.378 0.000 0.985) 5.467 1.143 ( -2.635 0.000 0.196) 2.642 1.204 ( -2.569 0.000 1.359) 2.906 1.239 ( 1.724 0.000 -0.816) 1.907 1.285 ( -0.251 0.000 0.383) 0.458 1.301 ( 0.404 0.000 -0.579) 0.706 1.377 ( -1.623 0.000 5.506) 5.740 1.452 ( 5.652 0.000 -2.714) 6.270 1.545 ( -2.020 0.000 3.158) 3.749 1.604 ( -3.388 0.000 2.811) 4.402 1.617 ( -2.451 0.000 -3.494) 4.268 1.661 ( 5.598 0.000 -2.622) 6.181 1.762 ( 0.385 0.000 -0.824) 0.909 1.770 ( -1.119 0.000 -2.708) 2.931 1.989 ( 0.733 0.000 5.338) 5.388 2.066 ( -0.616 0.000 -2.744) 2.813 2.207 ( 0.676 0.000 0.395) 0.782 2.215 ( -0.745 0.000 -0.397) 0.845 2.390 ( 0.234 0.000 0.419) 0.480 2.399 ( -0.148 0.000 -0.456) 0.479 2.731 ( -0.081 0.000 0.715) 0.719 2.745 ( 0.085 0.000 -0.605) 0.611 2.961 ( 0.788 0.000 -0.106) 0.795 2.964 ( -0.587 0.000 -0.406) 0.713 2.990 ( -0.445 0.000 0.827) 0.939 3.000 ( 0.145 0.000 -0.214) 0.258 3.101 ( -1.435 0.000 0.865) 1.676 3.120 ( 1.582 0.000 -0.942) 1.841 3.248 ( -1.527 0.000 1.705) 2.289 3.283 ( 1.487 0.000 -1.712) 2.268 3.551 ( -0.301 0.000 0.158) 0.340 3.553 ( 0.234 0.000 -0.116) 0.261 3.858 ( -0.379 0.000 1.213) 1.271 3.882 ( 2.067 0.000 -1.160) 2.370 3.897 ( 0.956 0.000 0.183) 0.973 3.901 ( -2.587 0.000 -0.111) 2.590 4.122 ( -0.482 0.000 0.671) 0.826 4.135 ( 0.483 0.000 -0.582) 0.756 4.417 ( 0.028 0.000 0.824) 0.824 4.433 ( -0.072 0.000 -0.707) 0.710 4.558 ( -0.602 0.000 0.434) 0.742 4.567 ( 0.619 0.000 -0.447) 0.764 5.088 ( 0.301 0.000 0.401) 0.502 5.096 ( -0.292 0.000 -0.373) 0.474 5.236 ( -0.077 0.000 0.398) 0.405 5.244 ( 0.106 0.000 -0.442) 0.454 5.418 ( 0.789 0.000 0.666) 1.032 5.432 ( -0.867 0.000 -0.675) 1.099 5.520 ( 0.016 0.000 0.099) 0.100 5.522 ( 0.023 0.000 -0.128) 0.130 5.933 ( 1.081 0.000 1.960) 2.239 5.983 ( -1.121 0.000 -3.042) 3.242 6.463 ( -0.381 0.000 4.054) 4.072 6.490 ( -1.896 0.000 0.137) 1.901 6.547 ( 0.740 0.000 2.057) 2.186 6.648 ( 2.508 0.000 -6.667) 7.123 6.940 ( -1.754 0.000 2.805) 3.308 6.981 ( 0.959 0.000 -1.434) 1.725 7.665 ( -1.398 0.000 1.814) 2.290 7.702 ( 1.242 0.000 -1.755) 2.150 7.785 ( 1.124 0.000 0.037) 1.124 7.786 ( -1.100 0.000 -0.009) 1.100 10.664 ( 0.218 0.000 0.305) 0.375 10.671 ( -0.237 0.000 -0.371) 0.440 10.731 ( -0.120 0.000 0.163) 0.203 10.733 ( 0.153 0.000 -0.089) 0.177 10.990 ( -0.054 0.000 0.136) 0.146 10.993 ( 0.050 0.000 -0.160) 0.168 11.044 ( -0.006 0.000 0.087) 0.087 11.046 ( 0.007 0.000 -0.082) 0.083 11.306 ( 0.145 0.000 0.300) 0.334 11.312 ( -0.168 0.000 -0.314) 0.356 11.361 ( 0.232 0.000 0.172) 0.289 11.364 ( -0.205 0.000 -0.151) 0.255 11.975 ( 0.269 0.000 2.439) 2.454 12.041 ( -0.781 0.000 -4.412) 4.480 12.274 ( 1.917 0.000 5.775) 6.085 12.369 ( -1.402 0.000 -3.791) 4.042 ======================= Grid point 68 (26/52) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -11.529 0.000 -9.119) 14.700 0.786 ( -5.577 0.000 1.726) 5.838 0.883 ( -6.865 0.000 -0.319) 6.873 0.940 ( -1.969 0.000 0.267) 1.987 0.993 ( 3.009 0.000 8.220) 8.754 1.044 ( -1.247 0.000 -1.914) 2.284 1.081 ( -1.921 0.000 1.380) 2.366 1.164 ( -2.402 0.000 2.404) 3.398 1.212 ( 1.285 0.000 -2.296) 2.631 1.269 ( 3.314 0.000 -1.671) 3.711 1.306 ( 2.165 0.000 1.614) 2.700 1.328 ( 3.675 0.000 -1.382) 3.926 1.372 ( -0.123 0.000 -0.182) 0.220 1.451 ( -7.761 0.000 4.747) 9.098 1.506 ( 2.157 0.000 -3.127) 3.799 1.599 ( 1.276 0.000 -1.322) 1.837 1.649 ( 2.469 0.000 1.056) 2.685 1.707 ( 0.759 0.000 -2.839) 2.939 1.737 ( -2.084 0.000 -0.733) 2.209 1.762 ( 0.365 0.000 1.226) 1.279 1.971 ( -5.594 0.000 3.867) 6.801 2.018 ( -1.282 0.000 -3.770) 3.982 2.197 ( -2.769 0.000 1.664) 3.231 2.204 ( 0.114 0.000 -0.557) 0.569 2.349 ( -4.799 0.000 -0.479) 4.823 2.358 ( -4.022 0.000 0.170) 4.025 2.692 ( -4.472 0.000 0.207) 4.477 2.698 ( -4.172 0.000 -0.157) 4.175 2.918 ( -1.450 0.000 -0.298) 1.481 2.919 ( -0.233 0.000 0.552) 0.599 2.981 ( 0.279 0.000 0.099) 0.296 2.982 ( -0.532 0.000 -0.388) 0.658 3.199 ( 2.857 0.000 1.639) 3.293 3.208 ( 6.945 0.000 -1.175) 7.044 3.325 ( 2.506 0.000 0.604) 2.577 3.332 ( 8.429 0.000 -0.920) 8.479 3.559 ( 0.930 0.000 -0.037) 0.930 3.560 ( 2.241 0.000 0.017) 2.241 3.813 ( -2.425 0.000 0.136) 2.429 3.815 ( -2.874 0.000 -0.218) 2.882 3.913 ( -1.253 0.000 -2.002) 2.362 3.923 ( -1.148 0.000 1.865) 2.190 4.127 ( -0.242 0.000 0.514) 0.568 4.153 ( 1.304 0.000 -0.403) 1.365 4.418 ( 0.168 0.000 1.364) 1.375 4.421 ( -0.211 0.000 -1.273) 1.291 4.575 ( 2.104 0.000 0.489) 2.160 4.615 ( 4.700 0.000 -0.496) 4.726 5.074 ( -1.266 0.000 -0.323) 1.307 5.080 ( -1.189 0.000 0.302) 1.226 5.284 ( 3.697 0.000 -0.421) 3.721 5.284 ( 4.225 0.000 0.322) 4.237 5.350 ( -4.209 0.000 -0.859) 4.296 5.369 ( -3.485 0.000 0.923) 3.605 5.585 ( 3.837 0.000 -0.064) 3.838 5.595 ( 4.550 0.000 0.089) 4.551 5.969 ( 2.004 0.000 -3.602) 4.122 5.990 ( 3.407 0.000 3.366) 4.790 6.424 ( -3.786 0.000 0.063) 3.787 6.488 ( -5.394 0.000 0.526) 5.419 6.518 ( 1.579 0.000 6.678) 6.862 6.671 ( 5.635 0.000 -9.595) 11.128 6.991 ( 3.582 0.000 4.056) 5.411 7.076 ( 7.895 0.000 -1.794) 8.097 7.634 ( -2.751 0.000 1.722) 3.245 7.690 ( -1.471 0.000 -1.045) 1.804 7.739 ( -4.259 0.000 -0.304) 4.270 7.800 ( -0.080 0.000 -0.052) 0.095 10.662 ( -0.302 0.000 -0.364) 0.473 10.668 ( 0.081 0.000 0.374) 0.383 10.736 ( 0.476 0.000 0.153) 0.500 10.742 ( 0.698 0.000 -0.207) 0.728 10.992 ( 0.239 0.000 0.327) 0.405 10.997 ( 0.596 0.000 -0.307) 0.670 11.054 ( 0.872 0.000 0.116) 0.880 11.055 ( 0.874 0.000 -0.118) 0.882 11.311 ( 0.275 0.000 -0.335) 0.434 11.317 ( 0.805 0.000 0.366) 0.884 11.364 ( 0.466 0.000 -0.126) 0.483 11.371 ( 0.717 0.000 0.086) 0.723 11.980 ( -1.832 0.000 3.696) 4.125 11.988 ( -2.205 0.000 -3.473) 4.114 12.296 ( -3.092 0.000 -5.553) 6.356 12.334 ( 0.751 0.000 5.347) 5.400 ======================= Grid point 69 (27/52) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -12.257 0.000 -2.131) 12.441 0.576 ( -14.604 0.000 -0.584) 14.616 0.797 ( -4.392 0.000 -0.503) 4.421 0.818 ( -10.739 0.000 -0.780) 10.767 0.990 ( -3.304 0.000 0.091) 3.305 1.053 ( -0.612 0.000 -0.933) 1.116 1.075 ( -1.039 0.000 7.394) 7.466 1.137 ( -2.505 0.000 2.436) 3.494 1.169 ( -1.261 0.000 -4.310) 4.491 1.291 ( -2.618 0.000 -0.877) 2.761 1.350 ( 1.113 0.000 0.920) 1.444 1.354 ( -4.530 0.000 -2.694) 5.270 1.387 ( -2.044 0.000 3.066) 3.685 1.415 ( 4.363 0.000 -0.441) 4.385 1.477 ( -1.334 0.000 -5.157) 5.327 1.516 ( -9.884 0.000 2.736) 10.256 1.660 ( -0.477 0.000 2.166) 2.218 1.672 ( 0.307 0.000 -3.379) 3.393 1.727 ( 2.953 0.000 0.158) 2.958 1.805 ( 1.817 0.000 1.265) 2.214 1.905 ( -2.456 0.000 0.791) 2.580 1.993 ( 1.257 0.000 -3.463) 3.684 2.110 ( -8.188 0.000 4.105) 9.159 2.186 ( -1.868 0.000 -0.560) 1.950 2.221 ( -7.704 0.000 -0.542) 7.723 2.233 ( -8.948 0.000 0.049) 8.948 2.624 ( -1.603 0.000 -0.026) 1.603 2.643 ( -0.544 0.000 0.049) 0.546 2.912 ( 0.266 0.000 0.145) 0.303 2.939 ( 0.734 0.000 -0.158) 0.750 3.013 ( 3.992 0.000 -1.310) 4.201 3.020 ( 4.964 0.000 0.924) 5.049 3.242 ( 1.362 0.000 0.777) 1.568 3.266 ( 1.302 0.000 -0.993) 1.637 3.412 ( 5.292 0.000 0.669) 5.334 3.493 ( 8.354 0.000 -0.289) 8.359 3.594 ( 2.282 0.000 -0.549) 2.347 3.633 ( 3.925 0.000 0.560) 3.964 3.781 ( -1.437 0.000 -0.223) 1.455 3.787 ( -0.962 0.000 0.026) 0.963 3.827 ( -4.748 0.000 -2.693) 5.458 3.866 ( -5.242 0.000 2.421) 5.775 4.079 ( -5.603 0.000 1.286) 5.749 4.165 ( 0.440 0.000 -0.786) 0.901 4.415 ( 0.139 0.000 -1.577) 1.583 4.431 ( -1.211 0.000 1.196) 1.702 4.653 ( 5.401 0.000 1.536) 5.615 4.715 ( 5.249 0.000 -1.492) 5.456 5.040 ( -2.313 0.000 -0.017) 2.313 5.043 ( -2.786 0.000 -0.038) 2.786 5.288 ( -1.558 0.000 -0.695) 1.706 5.330 ( -1.401 0.000 0.930) 1.682 5.382 ( 6.976 0.000 -0.178) 6.979 5.414 ( 9.575 0.000 0.068) 9.575 5.636 ( 1.456 0.000 0.357) 1.499 5.648 ( 0.858 0.000 -0.321) 0.916 6.016 ( 4.408 0.000 -2.310) 4.977 6.083 ( 2.493 0.000 3.588) 4.369 6.371 ( -6.773 0.000 2.493) 7.217 6.421 ( 5.085 0.000 0.653) 5.126 6.624 ( 4.713 0.000 5.324) 7.110 6.703 ( 4.012 0.000 -14.720) 15.257 7.101 ( 4.418 0.000 5.670) 7.188 7.187 ( 4.093 0.000 -3.037) 5.097 7.574 ( -7.622 0.000 3.779) 8.507 7.616 ( -5.747 0.000 -0.718) 5.791 7.638 ( -3.406 0.000 -0.577) 3.455 7.752 ( -5.133 0.000 -2.415) 5.672 10.659 ( 0.197 0.000 -0.087) 0.216 10.673 ( 0.189 0.000 0.191) 0.269 10.747 ( 0.492 0.000 0.228) 0.543 10.752 ( 0.479 0.000 -0.511) 0.701 11.008 ( 1.124 0.000 0.890) 1.433 11.016 ( 1.795 0.000 -0.614) 1.897 11.071 ( 0.730 0.000 -0.118) 0.739 11.072 ( 0.743 0.000 0.105) 0.751 11.319 ( 0.721 0.000 -0.115) 0.730 11.336 ( 0.831 0.000 0.102) 0.837 11.386 ( 0.736 0.000 -0.290) 0.791 11.392 ( 2.872 0.000 0.300) 2.887 11.917 ( -3.042 0.000 -2.523) 3.952 11.947 ( -4.497 0.000 4.501) 6.362 12.181 ( -5.140 0.000 -6.122) 7.993 12.373 ( 0.399 0.000 3.735) 3.756 ======================= Grid point 70 (28/52) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.282 ( -14.488 0.000 3.874) 14.997 0.299 ( -6.469 0.000 14.033) 15.452 0.574 ( -11.911 0.000 -2.216) 12.115 0.641 ( -10.658 0.000 -5.218) 11.867 0.774 ( -22.978 0.000 7.445) 24.154 1.013 ( -5.826 0.000 0.595) 5.856 1.060 ( -0.326 0.000 -4.982) 4.993 1.101 ( 0.218 0.000 3.791) 3.797 1.119 ( -3.666 0.000 -4.801) 6.041 1.192 ( -3.032 0.000 -0.033) 3.032 1.230 ( -0.617 0.000 -0.592) 0.855 1.304 ( -1.844 0.000 -4.446) 4.814 1.398 ( 0.900 0.000 2.455) 2.615 1.462 ( 0.979 0.000 -0.598) 1.148 1.480 ( 1.464 0.000 -0.672) 1.611 1.483 ( 0.869 0.000 0.962) 1.297 1.660 ( -1.189 0.000 1.608) 2.000 1.671 ( 0.772 0.000 -1.945) 2.092 1.786 ( 1.744 0.000 -0.771) 1.907 1.819 ( -0.293 0.000 -0.955) 0.999 1.850 ( -3.699 0.000 -0.435) 3.725 1.920 ( -8.653 0.000 -0.664) 8.679 2.051 ( -2.517 0.000 0.896) 2.672 2.064 ( -7.070 0.000 0.690) 7.103 2.097 ( 1.302 0.000 1.241) 1.799 2.166 ( 1.991 0.000 2.047) 2.856 2.607 ( -1.086 0.000 -0.791) 1.343 2.654 ( -0.204 0.000 0.997) 1.018 2.926 ( 1.113 0.000 0.429) 1.193 2.949 ( 0.600 0.000 -0.595) 0.845 3.126 ( 7.877 0.000 -0.699) 7.908 3.154 ( 7.413 0.000 1.391) 7.543 3.271 ( 1.109 0.000 -0.284) 1.145 3.303 ( 3.161 0.000 -2.466) 4.009 3.441 ( -4.949 0.000 3.543) 6.087 3.588 ( -0.635 0.000 -3.596) 3.652 3.640 ( 3.480 0.000 1.793) 3.915 3.683 ( -1.680 0.000 0.109) 1.683 3.720 ( -0.310 0.000 -0.168) 0.353 3.742 ( -2.484 0.000 0.325) 2.505 3.772 ( -1.771 0.000 -0.114) 1.774 3.817 ( -0.999 0.000 1.094) 1.481 3.942 ( -8.772 0.000 2.330) 9.076 4.165 ( 0.168 0.000 -5.702) 5.704 4.369 ( -5.226 0.000 -2.619) 5.846 4.369 ( -4.769 0.000 0.294) 4.779 4.771 ( 5.188 0.000 1.000) 5.284 4.779 ( 3.188 0.000 -2.091) 3.813 4.979 ( -3.648 0.000 -0.472) 3.679 4.991 ( -2.901 0.000 0.397) 2.928 5.268 ( -0.466 0.000 0.021) 0.466 5.311 ( -1.169 0.000 0.123) 1.176 5.515 ( 4.622 0.000 0.251) 4.628 5.629 ( 10.841 0.000 -1.139) 10.901 5.647 ( 0.565 0.000 -0.182) 0.594 5.653 ( 0.341 0.000 0.331) 0.476 6.080 ( 2.685 0.000 -0.208) 2.693 6.114 ( -0.303 0.000 1.832) 1.857 6.264 ( -7.161 0.000 3.833) 8.122 6.557 ( -9.443 0.000 -26.143) 27.796 6.625 ( 12.053 0.000 3.277) 12.491 6.741 ( 4.398 0.000 2.133) 4.888 7.177 ( -2.280 0.000 -2.188) 3.160 7.207 ( 2.866 0.000 2.630) 3.890 7.391 ( -10.498 0.000 3.097) 10.945 7.505 ( -18.881 0.000 -11.619) 22.170 7.552 ( -2.916 0.000 0.785) 3.020 7.562 ( -3.762 0.000 0.116) 3.763 10.666 ( 0.379 0.000 0.165) 0.414 10.676 ( 0.100 0.000 -0.035) 0.106 10.752 ( -0.098 0.000 -0.577) 0.586 10.755 ( 0.138 0.000 0.218) 0.258 11.047 ( 2.222 0.000 1.749) 2.827 11.054 ( 2.341 0.000 -0.630) 2.425 11.079 ( 0.221 0.000 -0.046) 0.225 11.081 ( 0.227 0.000 0.031) 0.229 11.338 ( 1.025 0.000 0.390) 1.097 11.348 ( 0.419 0.000 -0.018) 0.420 11.398 ( 1.158 0.000 0.922) 1.481 11.486 ( 6.303 0.000 0.606) 6.332 11.854 ( -1.739 0.000 -1.226) 2.128 11.874 ( -4.536 0.000 2.865) 5.365 12.025 ( -7.403 0.000 -4.477) 8.651 12.369 ( -3.481 0.000 -4.715) 5.861 ======================= Grid point 71 (29/52) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -4.013 13.155 6.482) 15.204 0.474 ( 2.878 8.527 10.675) 13.963 0.579 ( 1.970 11.589 -5.867) 13.138 0.693 ( -0.235 13.668 -6.987) 15.352 0.794 ( 0.082 22.949 8.159) 24.356 0.951 ( 0.516 4.510 -0.766) 4.604 1.007 ( -4.387 3.760 1.922) 6.089 1.070 ( 3.416 1.630 -3.744) 5.324 1.169 ( 0.919 -1.161 1.152) 1.876 1.196 ( -0.964 -0.998 -1.675) 2.175 1.272 ( 1.965 6.970 -3.152) 7.898 1.295 ( -1.676 4.006 -3.721) 5.719 1.428 ( 0.338 -1.556 0.645) 1.718 1.431 ( -0.427 0.750 0.319) 0.920 1.514 ( 0.068 1.149 1.803) 2.139 1.552 ( 0.126 2.611 -1.806) 3.177 1.671 ( -0.000 2.049 0.995) 2.278 1.698 ( -0.428 3.149 -1.680) 3.595 1.771 ( 0.329 -2.625 0.706) 2.738 1.778 ( 1.837 -2.050 0.093) 2.754 1.790 ( -3.323 1.238 1.768) 3.962 1.824 ( 0.625 2.495 -1.520) 2.987 2.010 ( 1.228 1.409 3.503) 3.970 2.071 ( -1.106 0.035 -2.459) 2.696 2.607 ( 1.106 15.045 1.731) 15.185 2.644 ( -0.157 9.157 -1.663) 9.308 2.709 ( -3.361 10.006 4.137) 11.337 2.802 ( 1.979 3.331 -4.206) 5.719 2.963 ( -1.413 1.411 0.495) 2.058 3.003 ( 2.737 4.504 -4.591) 6.989 3.166 ( -5.914 -6.132 0.738) 8.551 3.175 ( 4.815 -5.972 -0.192) 7.673 3.230 ( -1.818 0.876 1.006) 2.255 3.263 ( 1.012 0.439 -1.572) 1.920 3.375 ( 3.300 -4.036 2.089) 5.616 3.393 ( -2.676 -4.097 0.157) 4.896 3.561 ( -1.962 -1.904 1.416) 3.079 3.608 ( 2.075 -0.913 -3.100) 3.841 3.723 ( 2.920 -1.277 0.533) 3.232 3.730 ( -1.122 -0.975 -0.196) 1.499 3.802 ( -0.167 3.494 0.056) 3.499 3.814 ( 0.184 4.310 -1.390) 4.533 3.904 ( -3.073 2.511 0.868) 4.062 3.916 ( 1.568 3.032 -0.326) 3.429 4.341 ( 1.557 4.397 1.601) 4.931 4.379 ( -1.768 3.793 -2.066) 4.667 4.899 ( 1.806 -2.040 0.243) 2.735 4.907 ( -1.833 -1.965 -0.482) 2.730 4.965 ( 0.049 7.388 1.544) 7.548 5.001 ( -0.008 5.614 -1.958) 5.945 5.369 ( -0.653 8.146 3.342) 8.829 5.476 ( 5.694 6.759 -6.973) 11.258 5.548 ( -0.575 -0.989 -0.182) 1.158 5.551 ( -4.650 -0.367 -1.111) 4.795 5.656 ( 1.438 -1.284 0.450) 1.979 5.664 ( -1.592 -1.574 -0.347) 2.266 6.106 ( 0.868 0.639 2.387) 2.619 6.154 ( -3.684 2.685 -0.492) 4.585 6.167 ( -2.116 2.085 0.110) 2.973 6.235 ( 6.390 5.286 -10.069) 13.044 6.751 ( -4.269 -3.241 0.817) 5.422 6.759 ( 3.916 -3.115 -0.023) 5.004 7.024 ( 0.718 -7.338 4.717) 8.753 7.074 ( -0.183 -5.416 -1.151) 5.540 7.304 ( 2.616 3.535 1.158) 4.548 7.334 ( -3.243 3.375 -1.794) 5.013 7.499 ( 0.835 -2.210 0.385) 2.394 7.503 ( -0.380 -2.063 -0.048) 2.098 10.661 ( -0.038 -0.912 0.209) 0.937 10.667 ( -0.020 -1.036 -0.349) 1.093 10.730 ( 0.415 -1.959 0.244) 2.017 10.734 ( -0.230 -1.855 -0.095) 1.872 11.072 ( -0.614 2.413 1.254) 2.788 11.098 ( 0.685 2.548 -1.348) 2.963 11.188 ( -0.584 5.613 2.320) 6.101 11.241 ( 0.436 3.768 -2.920) 4.786 11.375 ( 0.324 3.021 0.706) 3.119 11.397 ( -0.815 3.494 -1.552) 3.909 11.564 ( -3.207 1.639 0.922) 3.718 11.602 ( 7.245 2.987 -3.591) 8.620 11.836 ( 1.827 -1.602 0.621) 2.508 11.852 ( -3.845 -1.804 -1.034) 4.371 11.912 ( 7.108 -2.126 1.053) 7.493 11.920 ( -9.771 -2.032 0.398) 9.988 ======================= Grid point 72 (30/52) ======================= q-point: ( 0.12 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 6.436 9.720 -2.562) 11.936 0.641 ( 6.213 8.643 8.415) 13.569 0.677 ( 6.480 6.456 -5.046) 10.447 0.770 ( 8.991 9.931 -5.363) 14.430 0.902 ( 5.047 13.783 5.776) 15.773 0.978 ( 1.252 4.112 4.425) 6.169 1.040 ( 8.200 6.850 -1.901) 10.852 1.168 ( 1.809 0.433 -1.368) 2.309 1.182 ( 6.392 0.853 -2.283) 6.841 1.188 ( 3.753 0.397 1.032) 3.913 1.255 ( 0.866 4.239 -1.431) 4.557 1.313 ( 3.832 6.403 -1.830) 7.684 1.408 ( -1.392 -0.791 0.383) 1.646 1.441 ( -0.079 0.440 0.066) 0.452 1.509 ( -1.175 1.640 1.226) 2.361 1.526 ( -1.497 2.361 -1.682) 3.262 1.662 ( -1.469 2.025 1.294) 2.816 1.691 ( 0.970 0.950 -1.175) 1.795 1.769 ( 0.191 -0.063 0.420) 0.465 1.793 ( 1.404 -0.663 0.716) 1.710 1.844 ( 3.197 -0.170 -0.457) 3.234 1.880 ( 4.147 -0.000 1.433) 4.388 2.056 ( 2.241 -0.203 -2.703) 3.517 2.083 ( 3.459 -0.153 2.477) 4.257 2.432 ( -8.419 18.225 0.579) 20.084 2.516 ( -10.635 17.856 -0.582) 20.791 2.686 ( 0.392 7.022 -0.629) 7.061 2.725 ( -4.027 4.836 0.684) 6.330 2.914 ( -0.945 -2.095 0.098) 2.301 2.928 ( -1.594 -0.511 -0.295) 1.699 3.090 ( -5.835 -2.872 0.195) 6.506 3.164 ( -8.796 -1.389 -0.348) 8.912 3.257 ( 0.308 -0.118 -0.376) 0.500 3.268 ( -0.990 -0.115 0.422) 1.083 3.373 ( 5.824 -5.464 -0.371) 7.994 3.544 ( 0.858 -6.088 0.666) 6.185 3.576 ( 1.784 -4.717 0.133) 5.045 3.599 ( 1.627 -5.500 -0.078) 5.736 3.702 ( -2.183 1.521 0.010) 2.661 3.760 ( -2.639 3.977 0.879) 4.853 3.838 ( 2.640 2.510 -1.499) 3.939 3.882 ( 3.160 1.283 0.603) 3.463 3.993 ( 8.599 0.150 1.679) 8.763 4.009 ( 8.845 -0.395 -2.215) 9.127 4.363 ( 1.181 2.429 -1.795) 3.243 4.408 ( 3.166 2.609 1.931) 4.534 4.781 ( -6.894 -0.087 0.366) 6.905 4.826 ( -6.594 -0.425 -0.633) 6.638 5.038 ( 4.939 6.208 0.314) 7.939 5.065 ( 3.662 5.209 -0.285) 6.374 5.315 ( -3.215 3.553 -0.914) 4.878 5.357 ( -3.905 5.133 0.546) 6.472 5.541 ( -2.299 0.151 -0.499) 2.358 5.604 ( -3.207 -1.138 0.331) 3.419 5.632 ( 0.889 -1.517 0.227) 1.773 5.639 ( -3.125 1.155 0.156) 3.336 6.037 ( -3.310 -2.557 0.092) 4.183 6.084 ( -1.702 -3.320 0.038) 3.731 6.248 ( 5.483 2.221 4.991) 7.740 6.390 ( 2.947 0.039 -5.931) 6.623 6.652 ( -7.207 -1.561 -1.332) 7.493 6.797 ( 2.075 -1.858 -4.033) 4.901 7.014 ( -0.895 -9.952 3.860) 10.711 7.121 ( 1.581 -6.548 -0.393) 6.748 7.379 ( 9.243 2.287 -1.073) 9.582 7.481 ( 10.272 0.089 1.959) 10.458 7.533 ( 3.155 -2.149 -0.486) 3.848 7.573 ( 6.651 -1.582 -0.952) 6.902 10.656 ( -0.552 -1.185 0.082) 1.310 10.662 ( -0.451 -1.137 -0.014) 1.223 10.727 ( -0.249 -1.892 -0.176) 1.917 10.737 ( 0.078 -1.917 -0.083) 1.920 11.056 ( -1.555 2.537 0.884) 3.104 11.087 ( -1.100 2.497 -0.923) 2.880 11.175 ( -1.895 5.514 1.615) 6.050 11.201 ( -2.343 6.044 -1.580) 6.672 11.358 ( -1.267 2.406 -0.050) 2.719 11.387 ( -1.212 3.732 0.526) 3.959 11.451 ( -4.454 2.162 -0.968) 5.045 11.530 ( -6.937 4.034 0.251) 8.029 11.827 ( 1.024 -1.206 0.198) 1.595 11.919 ( 4.850 -1.955 2.675) 5.874 11.943 ( 8.503 -3.325 -5.757) 10.793 12.148 ( 9.933 -6.798 3.510) 12.538 ======================= Grid point 73 (31/52) ======================= q-point: ( 0.25 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 9.304 5.016 -6.628) 12.476 0.745 ( 5.565 6.369 -1.964) 8.683 0.830 ( 7.697 4.927 7.049) 11.541 0.861 ( 5.017 4.780 -2.584) 7.396 0.965 ( -1.574 3.378 2.973) 4.767 1.073 ( 5.399 5.926 -1.896) 8.237 1.118 ( 3.288 1.064 1.006) 3.600 1.147 ( -2.147 -0.836 -1.017) 2.518 1.229 ( 1.915 5.918 2.584) 6.735 1.321 ( 1.470 4.533 1.931) 5.142 1.366 ( -1.586 1.656 1.049) 2.521 1.411 ( 0.639 5.286 -0.550) 5.353 1.427 ( 1.676 1.345 -1.471) 2.604 1.451 ( 10.971 4.049 -2.839) 12.034 1.491 ( -0.970 4.637 0.800) 4.804 1.549 ( 8.720 -0.879 -1.324) 8.863 1.641 ( -0.628 1.199 1.014) 1.691 1.701 ( 1.103 0.245 -1.816) 2.139 1.759 ( -1.674 1.799 -0.169) 2.463 1.813 ( -0.261 0.486 1.450) 1.551 1.897 ( 1.910 -1.190 0.657) 2.344 1.939 ( 2.018 0.338 0.590) 2.130 2.124 ( 5.149 -2.317 -1.909) 5.960 2.159 ( 2.537 -0.451 1.507) 2.985 2.366 ( 0.554 11.599 0.176) 11.613 2.428 ( 0.114 11.764 -0.483) 11.774 2.670 ( -0.843 2.692 0.004) 2.821 2.679 ( 0.121 4.058 0.042) 4.061 2.907 ( 0.114 -0.760 -0.434) 0.882 2.918 ( -0.137 -0.700 0.480) 0.859 3.001 ( -3.022 0.135 0.279) 3.038 3.036 ( -4.544 -0.090 -0.559) 4.579 3.229 ( -2.386 -0.524 0.898) 2.603 3.260 ( 0.065 0.548 -0.415) 0.690 3.388 ( -2.668 -3.384 -0.206) 4.314 3.452 ( -7.260 -1.982 0.181) 7.528 3.618 ( -0.090 -3.959 -0.184) 3.964 3.654 ( 1.684 -3.837 0.199) 4.195 3.676 ( 0.499 0.237 -0.222) 0.595 3.709 ( 0.078 1.446 0.174) 1.459 3.878 ( 1.788 1.926 -0.409) 2.660 3.927 ( 1.543 0.443 -0.043) 1.606 4.113 ( 3.607 0.293 0.443) 3.645 4.125 ( 3.218 -0.134 -0.240) 3.229 4.366 ( -0.869 -0.198 -0.131) 0.900 4.435 ( -1.240 -0.158 0.040) 1.251 4.670 ( -5.602 -1.269 0.768) 5.795 4.697 ( -5.962 -0.791 -0.567) 6.041 5.125 ( 3.716 7.050 0.058) 7.970 5.133 ( 4.280 6.694 -0.034) 7.945 5.282 ( -0.157 1.271 -0.616) 1.421 5.322 ( -1.496 1.544 0.438) 2.194 5.441 ( -5.074 3.546 -0.177) 6.193 5.475 ( -5.948 3.524 -0.034) 6.913 5.631 ( 0.202 -0.879 0.362) 0.972 5.648 ( -0.278 0.385 -0.208) 0.518 5.951 ( -6.111 -3.778 -0.107) 7.185 6.044 ( -3.450 -7.387 -0.444) 8.165 6.326 ( 0.748 -2.844 2.392) 3.790 6.380 ( -0.661 -2.737 1.582) 3.230 6.534 ( -2.661 1.462 0.281) 3.049 6.753 ( -2.432 -1.067 -6.866) 7.362 7.002 ( -3.583 -8.750 5.517) 10.947 7.097 ( -3.230 -6.584 -2.028) 7.609 7.566 ( 7.316 -1.971 0.382) 7.587 7.593 ( 3.329 -1.812 -0.597) 3.837 7.651 ( 6.308 -2.060 0.056) 6.636 7.693 ( 5.100 -0.593 0.336) 5.145 10.642 ( -0.818 -1.622 -0.197) 1.828 10.651 ( -0.664 -1.783 0.185) 1.912 10.723 ( -0.261 -1.774 0.112) 1.797 10.732 ( -0.388 -1.632 -0.206) 1.690 11.033 ( -1.056 2.667 0.408) 2.897 11.055 ( -1.474 2.820 -0.364) 3.203 11.146 ( -1.559 5.561 0.362) 5.787 11.154 ( -1.963 5.369 -0.304) 5.725 11.340 ( -0.641 2.040 -0.225) 2.150 11.352 ( -1.479 2.348 0.195) 2.782 11.407 ( -1.132 2.324 0.142) 2.589 11.436 ( -3.284 3.552 -0.131) 4.839 11.871 ( 2.748 -1.298 0.655) 3.109 12.026 ( 4.041 -3.730 -5.617) 7.861 12.041 ( 5.274 -2.324 3.739) 6.870 12.293 ( 3.937 -6.922 1.540) 8.111 ======================= Grid point 74 (32/52) ======================= q-point: ( 0.38 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 5.490 5.538 -1.333) 7.911 0.882 ( 6.531 2.299 -1.305) 7.046 0.904 ( 1.081 2.208 1.094) 2.691 0.986 ( 2.997 4.246 0.855) 5.267 1.016 ( 6.932 3.514 5.265) 9.387 1.080 ( -2.948 -1.483 -3.077) 4.512 1.147 ( 2.773 2.983 -1.689) 4.409 1.165 ( 1.954 0.996 -1.709) 2.780 1.283 ( 0.853 6.600 1.659) 6.858 1.310 ( -2.604 1.626 0.725) 3.155 1.323 ( -1.180 4.258 -0.333) 4.431 1.393 ( -1.613 5.612 0.965) 5.918 1.437 ( -0.109 4.288 0.657) 4.340 1.443 ( -1.740 5.948 0.706) 6.238 1.563 ( -1.558 -0.622 1.251) 2.093 1.613 ( 3.349 2.664 -2.788) 5.107 1.670 ( -2.150 0.483 -0.290) 2.222 1.719 ( 1.870 1.222 -0.541) 2.298 1.762 ( 1.085 2.589 -2.009) 3.453 1.797 ( -0.653 0.335 -1.486) 1.658 1.925 ( 0.758 -0.172 5.372) 5.428 2.028 ( 6.313 -0.112 -2.348) 6.736 2.174 ( 0.785 -1.126 0.802) 1.589 2.199 ( 1.339 -1.158 -0.550) 1.854 2.413 ( 2.976 6.434 0.076) 7.089 2.447 ( 1.230 6.659 -0.151) 6.773 2.712 ( 4.212 1.577 -0.030) 4.498 2.724 ( 3.782 2.511 0.015) 4.539 2.912 ( 1.515 0.102 0.082) 1.520 2.921 ( 0.659 -0.288 -0.086) 0.725 2.968 ( -1.286 -0.377 0.291) 1.371 2.982 ( -0.459 -0.185 -0.155) 0.519 3.177 ( -3.937 -0.498 0.625) 4.017 3.228 ( -6.070 -0.030 -0.284) 6.077 3.308 ( -2.796 -0.466 0.004) 2.834 3.334 ( -4.809 -0.258 -0.225) 4.821 3.595 ( -0.742 2.710 -0.015) 2.810 3.598 ( -2.376 3.021 -0.033) 3.844 3.764 ( 4.965 -3.180 0.399) 5.909 3.781 ( 5.128 -3.698 -0.201) 6.325 3.893 ( -0.096 -0.606 0.300) 0.683 3.935 ( -1.021 -2.385 -0.556) 2.653 4.141 ( -0.856 0.394 0.554) 1.093 4.144 ( 0.085 0.397 -0.477) 0.626 4.346 ( -0.693 -1.582 0.935) 1.964 4.394 ( -1.817 -1.067 -0.756) 2.239 4.573 ( -3.807 -1.999 -0.091) 4.301 4.600 ( -4.278 -0.852 0.075) 4.362 5.188 ( 2.757 8.836 0.119) 9.257 5.206 ( 2.864 9.132 -0.024) 9.570 5.283 ( -0.169 2.325 -0.035) 2.332 5.300 ( -0.848 1.889 -0.078) 2.072 5.395 ( 1.247 3.946 -0.047) 4.139 5.432 ( 0.944 3.440 0.035) 3.567 5.602 ( -3.632 1.231 -0.259) 3.843 5.614 ( -3.881 1.891 0.243) 4.325 5.846 ( -3.438 -6.706 0.491) 7.552 5.944 ( -4.967 -8.671 -1.346) 10.083 6.374 ( 2.458 -5.810 1.506) 6.486 6.388 ( 0.590 -5.077 0.278) 5.119 6.535 ( 0.863 1.742 3.098) 3.657 6.671 ( -0.929 -0.134 -5.739) 5.815 6.942 ( -5.307 -6.538 3.939) 9.296 7.000 ( -4.675 -4.920 -2.148) 7.119 7.643 ( 1.826 -1.429 0.673) 2.414 7.657 ( 2.794 -2.114 -0.232) 3.512 7.722 ( 2.118 -2.550 -1.682) 3.717 7.750 ( 0.324 -3.013 1.267) 3.284 10.628 ( -0.406 -2.268 -0.000) 2.304 10.640 ( -0.488 -2.491 -0.067) 2.539 10.718 ( -0.328 -1.556 0.209) 1.604 10.724 ( -0.334 -1.379 -0.142) 1.426 11.023 ( -0.249 2.666 0.039) 2.678 11.034 ( -0.573 3.084 -0.017) 3.137 11.119 ( -1.196 4.747 -0.221) 4.901 11.124 ( -1.042 5.169 0.183) 5.276 11.331 ( -0.098 2.343 0.003) 2.345 11.342 ( -0.075 2.090 0.012) 2.092 11.389 ( -0.962 1.934 0.292) 2.180 11.391 ( -1.453 2.653 -0.287) 3.038 11.925 ( 1.963 -1.389 1.340) 2.753 12.040 ( 1.188 -2.802 -4.802) 5.685 12.155 ( 3.635 -2.769 4.803) 6.629 12.337 ( 0.976 -5.303 -1.291) 5.545 ======================= Grid point 75 (33/52) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 3.890 2.360 3.523) 5.755 0.886 ( -2.183 1.267 -0.750) 2.633 0.951 ( -2.837 0.040 -1.756) 3.337 0.982 ( 1.198 1.394 -2.126) 2.810 1.081 ( 0.077 4.509 2.324) 5.073 1.113 ( -0.165 2.651 0.304) 2.673 1.140 ( 1.967 5.436 1.541) 5.983 1.205 ( -0.636 7.850 -4.124) 8.890 1.263 ( -0.378 2.978 2.712) 4.045 1.300 ( 0.149 4.172 -1.307) 4.374 1.323 ( -1.281 2.523 2.910) 4.059 1.381 ( -2.203 6.242 -1.666) 6.825 1.394 ( 1.190 3.217 1.650) 3.806 1.436 ( 1.749 -1.051 -3.017) 3.642 1.576 ( 0.297 2.382 2.478) 3.450 1.601 ( -2.147 0.701 0.872) 2.421 1.674 ( 1.428 1.999 0.118) 2.460 1.705 ( 0.436 4.114 -2.803) 4.997 1.759 ( -0.080 -0.068 -0.615) 0.624 1.774 ( -0.290 0.554 -2.305) 2.389 1.989 ( 0.754 0.266 5.290) 5.350 2.067 ( -0.502 0.130 -2.851) 2.898 2.191 ( 0.411 -1.107 0.532) 1.295 2.202 ( -0.493 -0.863 -0.544) 1.133 2.449 ( 0.494 5.544 0.315) 5.575 2.456 ( -0.460 5.229 -0.319) 5.259 2.756 ( 0.088 2.398 0.558) 2.464 2.766 ( -0.082 2.164 -0.463) 2.215 2.950 ( 0.768 -0.946 0.143) 1.227 2.958 ( -0.698 -0.631 -0.561) 1.096 2.978 ( -0.261 -1.015 0.474) 1.150 2.983 ( 0.162 -1.374 0.001) 1.384 3.098 ( -1.663 -0.230 0.969) 1.938 3.118 ( 1.805 -0.143 -0.987) 2.062 3.263 ( -1.536 1.303 1.703) 2.638 3.299 ( 1.460 1.291 -1.756) 2.624 3.587 ( -0.070 3.495 0.201) 3.501 3.590 ( 0.002 3.599 -0.149) 3.602 3.834 ( 0.216 -4.698 1.267) 4.871 3.859 ( -0.056 -4.724 -1.151) 4.862 3.882 ( -0.202 -1.189 0.262) 1.234 3.888 ( 0.052 -0.969 -0.260) 1.005 4.130 ( -0.258 0.983 0.480) 1.124 4.139 ( 0.275 0.598 -0.411) 0.776 4.350 ( 0.032 -2.454 1.135) 2.704 4.372 ( -0.052 -1.740 -1.017) 2.016 4.539 ( 0.063 -1.955 0.549) 2.031 4.551 ( -0.067 -1.657 -0.587) 1.759 5.233 ( -0.181 11.475 0.386) 11.483 5.241 ( 0.151 11.096 -0.350) 11.102 5.263 ( 0.189 2.887 0.670) 2.970 5.277 ( -0.104 2.876 -0.631) 2.946 5.461 ( 0.827 3.321 0.764) 3.506 5.477 ( -0.878 3.461 -0.760) 3.651 5.526 ( 0.157 0.668 0.141) 0.700 5.529 ( -0.132 0.710 -0.143) 0.736 5.836 ( 1.021 -8.085 1.523) 8.290 5.875 ( -1.073 -9.088 -2.290) 9.434 6.372 ( -2.053 -6.139 3.249) 7.243 6.429 ( 2.125 -6.080 -2.342) 6.854 6.569 ( -0.650 1.229 3.257) 3.542 6.651 ( 1.160 -0.324 -4.915) 5.061 6.890 ( -1.095 -4.357 2.949) 5.374 6.935 ( 0.637 -4.173 -1.635) 4.527 7.658 ( -1.040 -1.000 1.496) 2.079 7.689 ( 0.818 -1.540 -1.476) 2.284 7.738 ( 0.296 -4.009 0.336) 4.034 7.744 ( -0.169 -3.741 -0.294) 3.756 10.627 ( 0.154 -2.663 0.247) 2.679 10.633 ( -0.161 -2.759 -0.297) 2.779 10.715 ( -0.031 -1.390 0.237) 1.410 10.720 ( 0.050 -1.295 -0.178) 1.308 11.023 ( 0.095 2.780 0.183) 2.788 11.027 ( -0.120 2.919 -0.210) 2.929 11.109 ( 0.257 4.778 0.135) 4.787 11.112 ( -0.231 4.968 -0.125) 4.975 11.333 ( 0.154 2.581 0.298) 2.603 11.340 ( -0.182 2.554 -0.301) 2.579 11.376 ( -0.086 1.775 0.159) 1.785 11.379 ( 0.113 1.794 -0.146) 1.803 11.957 ( 0.217 -1.524 2.242) 2.719 12.017 ( -0.614 -2.074 -3.964) 4.516 12.236 ( 1.528 -3.441 5.153) 6.382 12.321 ( -1.129 -4.307 -3.428) 5.619 ======================= Grid point 76 (34/52) ======================= q-point: (-0.38 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -7.841 3.374 -5.649) 10.236 0.839 ( -4.349 2.567 2.722) 5.737 0.935 ( -3.133 3.314 -0.494) 4.587 0.963 ( -0.955 0.150 3.043) 3.193 1.051 ( 0.223 2.320 0.415) 2.367 1.104 ( -3.444 2.089 0.597) 4.072 1.112 ( -5.301 6.228 -2.977) 8.703 1.135 ( -1.326 4.324 0.238) 4.529 1.285 ( 0.413 0.909 3.010) 3.171 1.315 ( -1.158 4.235 -1.314) 4.583 1.322 ( 3.570 3.880 -0.207) 5.277 1.375 ( 2.606 5.261 1.457) 6.049 1.438 ( 1.979 5.161 0.547) 5.554 1.495 ( 3.645 0.244 -2.683) 4.533 1.521 ( -4.843 3.443 3.361) 6.826 1.628 ( 0.240 2.771 -2.536) 3.763 1.669 ( 0.498 0.616 -0.351) 0.866 1.717 ( 0.084 1.042 -0.414) 1.124 1.747 ( -0.822 0.965 -0.679) 1.439 1.780 ( 1.125 1.677 0.276) 2.038 1.964 ( -6.261 -0.398 3.469) 7.169 2.022 ( -1.235 0.486 -3.430) 3.678 2.172 ( -3.389 -1.680 1.281) 3.994 2.192 ( -0.168 -0.844 -0.305) 0.913 2.424 ( -2.134 6.429 -0.936) 6.839 2.437 ( -1.935 6.649 0.786) 6.970 2.712 ( -4.477 1.661 -0.034) 4.775 2.724 ( -3.643 2.405 0.055) 4.366 2.912 ( -0.776 0.114 0.050) 0.786 2.920 ( -1.129 -0.039 0.058) 1.131 2.971 ( 0.825 -0.623 0.102) 1.039 2.983 ( 0.888 -0.193 -0.219) 0.935 3.194 ( 6.457 -0.972 -1.046) 6.613 3.204 ( 2.845 0.529 1.715) 3.364 3.318 ( 4.395 -0.730 -0.577) 4.492 3.331 ( 3.942 -0.066 -0.047) 3.943 3.594 ( 1.536 3.154 0.005) 3.508 3.598 ( 1.577 2.654 -0.015) 3.087 3.770 ( -5.131 -3.744 0.225) 6.355 3.777 ( -5.016 -3.280 -0.146) 5.995 3.908 ( 0.204 -1.454 -0.863) 1.703 3.918 ( 0.844 -1.560 0.745) 1.924 4.134 ( -0.178 0.659 0.393) 0.787 4.152 ( 0.891 0.107 -0.368) 0.970 4.368 ( 1.512 -1.388 0.744) 2.183 4.375 ( 1.161 -1.175 -0.722) 1.803 4.570 ( 2.999 -1.239 0.113) 3.247 4.602 ( 5.029 -1.679 -0.066) 5.303 5.192 ( -2.791 8.935 -0.145) 9.362 5.203 ( -2.811 9.012 0.180) 9.442 5.288 ( 0.044 2.372 -0.455) 2.415 5.296 ( 0.936 1.977 0.314) 2.210 5.401 ( -1.334 3.741 -0.511) 4.005 5.426 ( -0.926 3.767 0.467) 3.907 5.598 ( 3.471 1.279 0.035) 3.699 5.616 ( 4.016 1.779 0.069) 4.392 5.876 ( 3.455 -7.700 -2.344) 8.759 5.903 ( 4.797 -7.262 2.213) 8.980 6.337 ( -3.377 -5.776 1.923) 6.962 6.437 ( -0.400 -5.227 -1.027) 5.342 6.561 ( -0.809 2.084 3.895) 4.491 6.647 ( 3.177 -1.874 -6.538) 7.507 6.939 ( 2.978 -4.618 3.801) 6.682 7.005 ( 6.105 -6.054 -2.085) 8.847 7.629 ( -2.527 -0.937 0.993) 2.872 7.670 ( -1.841 -2.147 -0.542) 2.880 7.704 ( -3.305 -2.911 -0.122) 4.405 7.765 ( 0.482 -3.014 -0.141) 3.055 10.631 ( 0.250 -2.322 -0.282) 2.352 10.636 ( 0.612 -2.413 0.278) 2.505 10.719 ( 0.280 -1.455 0.166) 1.491 10.724 ( 0.441 -1.512 -0.197) 1.587 11.022 ( 0.089 2.674 0.081) 2.677 11.035 ( 0.770 3.077 -0.047) 3.172 11.117 ( 0.864 4.703 -0.037) 4.782 11.126 ( 1.323 5.235 0.007) 5.399 11.334 ( -0.124 2.256 -0.250) 2.273 11.339 ( 0.314 2.176 0.262) 2.214 11.384 ( 0.936 2.011 0.208) 2.228 11.396 ( 1.469 2.561 -0.211) 2.960 11.959 ( -1.858 -1.791 3.251) 4.151 11.968 ( -2.144 -1.712 -3.150) 4.177 12.251 ( -3.273 -4.050 -4.567) 6.926 12.279 ( -0.400 -4.750 4.472) 6.536 ======================= Grid point 77 (35/52) ======================= q-point: (-0.25 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -11.001 7.190 -1.895) 13.278 0.728 ( -7.486 8.300 -0.443) 11.186 0.811 ( -5.601 3.878 2.329) 7.200 0.964 ( -5.829 3.392 -5.509) 8.708 0.989 ( -3.462 7.027 2.287) 8.161 1.057 ( -0.321 1.186 -1.276) 1.771 1.088 ( -3.032 2.806 1.972) 4.578 1.101 ( 1.719 -0.680 3.300) 3.782 1.284 ( -0.911 4.630 -1.763) 5.037 1.327 ( -2.543 2.328 3.794) 5.126 1.367 ( 0.887 2.112 -0.912) 2.465 1.405 ( -1.964 5.039 1.476) 5.606 1.417 ( -5.632 4.668 -1.641) 7.497 1.457 ( -3.302 2.082 -2.797) 4.802 1.503 ( -2.285 3.305 -1.423) 4.263 1.526 ( -5.343 1.709 0.947) 5.689 1.663 ( -0.564 -0.328 1.106) 1.284 1.683 ( 0.599 0.963 -2.284) 2.550 1.751 ( 1.157 2.382 0.636) 2.724 1.817 ( 1.136 0.482 0.923) 1.541 1.885 ( -2.852 -1.135 0.920) 3.204 1.990 ( -0.018 0.369 -2.599) 2.625 2.070 ( -8.293 -2.282 2.482) 8.952 2.175 ( -1.873 -1.026 -0.029) 2.136 2.386 ( 0.151 11.476 -1.769) 11.613 2.406 ( -1.083 11.952 1.552) 12.101 2.665 ( 0.273 3.062 0.247) 3.084 2.685 ( 0.521 3.718 -0.234) 3.761 2.900 ( -0.511 -0.641 0.119) 0.828 2.925 ( 0.422 -0.809 -0.091) 0.917 3.016 ( 3.428 0.257 -1.026) 3.588 3.021 ( 4.029 -0.179 0.685) 4.091 3.243 ( 1.134 0.057 0.517) 1.248 3.258 ( 1.656 -0.405 -0.839) 1.900 3.377 ( 3.346 -2.417 0.527) 4.161 3.458 ( 6.368 -2.844 -0.198) 6.977 3.620 ( 0.275 -3.955 -0.379) 3.983 3.652 ( -0.613 -4.129 0.497) 4.204 3.680 ( -2.225 0.299 -0.651) 2.337 3.704 ( 0.044 1.554 0.613) 1.671 3.882 ( -1.979 1.459 -0.926) 2.628 3.915 ( -1.525 1.199 0.980) 2.173 4.094 ( -4.752 1.346 0.858) 5.013 4.146 ( -1.775 -1.181 -0.820) 2.285 4.383 ( 0.149 -0.215 -1.695) 1.715 4.421 ( 1.789 -0.232 1.459) 2.320 4.659 ( 5.996 -0.768 0.967) 6.122 4.711 ( 5.903 -1.440 -0.925) 6.146 5.124 ( -3.859 6.919 0.103) 7.923 5.135 ( -4.113 6.839 -0.149) 7.982 5.283 ( 0.093 1.726 -0.691) 1.861 5.319 ( 1.425 1.196 0.683) 1.982 5.440 ( 4.893 3.820 -0.060) 6.208 5.474 ( 6.045 3.140 0.012) 6.812 5.634 ( 0.385 -0.347 0.284) 0.591 5.645 ( -0.176 -0.096 -0.147) 0.248 5.965 ( 5.822 -4.196 -1.441) 7.320 6.016 ( 3.882 -5.533 1.945) 7.034 6.294 ( -2.496 -4.175 2.475) 5.458 6.439 ( 3.582 -1.371 -0.198) 3.840 6.598 ( 2.026 -2.052 -1.440) 3.224 6.685 ( 4.198 -1.002 -4.486) 6.225 7.026 ( 2.727 -6.701 4.687) 8.620 7.086 ( 3.254 -7.737 -2.581) 8.781 7.572 ( -7.051 -0.216 0.570) 7.078 7.583 ( -4.866 -2.738 -0.582) 5.614 7.629 ( -4.140 -1.329 1.185) 4.507 7.723 ( -5.237 -2.405 -1.213) 5.890 10.639 ( 0.702 -1.604 -0.024) 1.751 10.652 ( 0.778 -1.781 0.109) 1.946 10.726 ( 0.327 -1.706 -0.017) 1.737 10.730 ( 0.304 -1.728 -0.174) 1.763 11.034 ( 0.974 2.431 0.402) 2.649 11.055 ( 1.527 3.151 -0.390) 3.523 11.141 ( 1.330 4.999 0.411) 5.189 11.159 ( 2.348 5.848 -0.358) 6.312 11.336 ( 0.575 2.114 0.015) 2.191 11.355 ( 1.467 2.388 0.030) 2.803 11.408 ( 1.098 2.133 0.087) 2.401 11.436 ( 3.239 3.720 -0.118) 4.934 11.899 ( -2.991 -1.532 -2.327) 4.088 11.926 ( -4.123 -1.839 3.937) 5.990 12.136 ( -5.400 -3.939 -5.215) 8.478 12.277 ( -2.690 -7.509 3.415) 8.677 ======================= Grid point 78 (36/52) ======================= q-point: (-0.12 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -4.949 11.033 4.598) 12.937 0.607 ( -7.158 14.530 4.232) 16.741 0.685 ( -8.031 7.610 -1.977) 11.239 0.823 ( -5.250 8.139 -6.841) 11.857 0.884 ( -13.237 16.646 4.633) 21.766 0.975 ( -5.388 2.787 5.184) 7.980 1.066 ( -0.119 0.962 -3.789) 3.911 1.111 ( -6.640 1.907 4.062) 8.014 1.171 ( -3.959 0.247 -1.457) 4.225 1.214 ( -1.808 -1.094 -0.485) 2.168 1.275 ( -0.359 6.447 -3.040) 7.136 1.350 ( -1.330 3.952 -3.737) 5.599 1.417 ( 0.266 -1.381 -0.724) 1.582 1.431 ( 0.359 3.723 0.922) 3.853 1.484 ( 1.449 0.511 1.168) 1.930 1.544 ( 1.524 3.600 -1.215) 4.094 1.665 ( -0.352 0.143 1.022) 1.091 1.696 ( 1.486 2.392 -1.582) 3.229 1.758 ( -0.878 1.289 1.027) 1.867 1.805 ( -2.351 -2.566 0.069) 3.481 1.844 ( -1.647 1.058 -0.430) 2.004 1.906 ( -7.816 -1.778 -0.199) 8.018 1.990 ( -0.758 0.553 2.402) 2.579 2.123 ( -2.871 -0.900 -0.834) 3.122 2.445 ( 6.927 18.006 -0.161) 19.293 2.499 ( 12.682 18.388 0.446) 22.341 2.686 ( 0.851 6.714 -0.556) 6.791 2.727 ( 2.731 5.443 0.539) 6.113 2.903 ( 1.204 -1.293 0.477) 1.830 2.937 ( 1.386 -1.246 -0.603) 1.959 3.107 ( 6.033 -2.510 -1.441) 6.691 3.138 ( 7.984 -1.291 1.863) 8.300 3.260 ( -0.010 -0.614 -0.431) 0.750 3.284 ( 1.190 -0.918 -0.750) 1.679 3.372 ( -5.715 -3.615 -0.422) 6.776 3.526 ( -1.887 -7.316 1.751) 7.756 3.583 ( -1.000 -5.656 -0.293) 5.751 3.599 ( -1.334 -4.725 -0.015) 4.910 3.710 ( 2.862 2.532 -0.740) 3.892 3.753 ( 1.146 3.578 1.704) 4.126 3.823 ( -3.142 2.381 -0.624) 3.991 3.881 ( -2.662 1.816 0.485) 3.259 3.971 ( -7.657 2.468 0.705) 8.076 4.051 ( -7.884 -4.358 -2.414) 9.326 4.347 ( -2.269 2.471 -0.198) 3.361 4.429 ( -1.683 1.727 0.033) 2.412 4.790 ( 6.493 -0.139 -0.062) 6.495 4.819 ( 6.722 -0.744 -0.327) 6.771 5.043 ( -5.179 5.788 0.062) 7.767 5.064 ( -3.107 5.782 -0.265) 6.569 5.302 ( 3.043 4.083 0.056) 5.092 5.365 ( 3.890 4.379 -0.085) 5.858 5.535 ( 2.539 1.248 0.008) 2.830 5.605 ( 3.607 -2.254 0.108) 4.255 5.629 ( 0.177 -1.838 0.157) 1.853 5.658 ( 3.370 0.782 -0.709) 3.531 6.045 ( 3.305 -2.524 -0.656) 4.210 6.068 ( 1.978 -2.990 1.255) 3.798 6.249 ( -4.690 0.239 3.144) 5.651 6.502 ( -4.350 -3.706 -13.689) 14.834 6.618 ( 7.826 -0.263 2.034) 8.090 6.755 ( 3.599 -0.390 0.060) 3.621 7.038 ( -4.596 -11.003 2.115) 12.110 7.112 ( 0.102 -5.767 -0.034) 5.768 7.377 ( -9.519 1.918 -0.837) 9.747 7.504 ( -8.462 -2.189 1.228) 8.826 7.534 ( -5.289 -1.249 -1.538) 5.648 7.561 ( -6.433 -0.696 -0.109) 6.472 10.654 ( 0.631 -1.076 0.156) 1.258 10.664 ( 0.498 -1.267 -0.125) 1.367 10.727 ( -0.054 -1.937 -0.221) 1.950 10.735 ( 0.104 -1.768 0.147) 1.777 11.060 ( 1.062 2.269 0.877) 2.654 11.083 ( 1.555 2.805 -0.875) 3.325 11.170 ( 1.054 5.748 1.260) 5.978 11.213 ( 3.541 4.984 -1.690) 6.343 11.355 ( 1.139 2.289 0.167) 2.562 11.412 ( 2.972 4.754 -2.046) 5.969 11.425 ( 3.276 3.038 1.677) 4.772 11.526 ( 5.709 3.593 0.520) 6.765 11.839 ( -1.778 -1.410 -1.083) 2.514 11.861 ( -3.789 -1.087 2.563) 4.702 11.986 ( -6.967 -3.387 -3.766) 8.613 12.187 ( -9.545 -10.726 0.397) 14.364 ======================= Grid point 79 (37/52) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 3.267 12.579 5.784) 14.226 0.704 ( -5.198 12.806 3.453) 14.245 0.818 ( 3.064 10.813 -4.365) 12.056 0.874 ( 0.796 7.563 -7.314) 10.551 1.041 ( -5.122 4.382 4.495) 8.102 1.105 ( 1.959 2.437 -2.266) 3.861 1.136 ( 0.571 -1.890 1.051) 2.237 1.162 ( 0.137 -0.889 -1.468) 1.722 1.224 ( 0.447 9.763 5.000) 10.978 1.262 ( 0.324 15.455 2.223) 15.617 1.352 ( -0.786 0.214 -1.260) 1.500 1.366 ( 1.293 0.235 -1.329) 1.869 1.432 ( -0.651 3.238 1.856) 3.788 1.516 ( 0.153 1.531 -0.278) 1.564 1.531 ( 0.141 5.954 -4.003) 7.176 1.563 ( 0.113 -2.425 -2.983) 3.846 1.645 ( -0.417 -5.273 0.224) 5.294 1.648 ( 0.488 -5.029 0.137) 5.055 1.744 ( -1.639 2.652 2.782) 4.178 1.792 ( 1.351 3.588 -1.976) 4.313 1.864 ( -1.073 2.512 1.456) 3.096 1.893 ( 0.842 2.957 -1.369) 3.365 2.030 ( 1.092 -0.408 1.451) 1.861 2.049 ( -1.205 -1.948 -0.401) 2.326 2.773 ( -0.345 0.037 0.922) 0.986 2.792 ( 0.883 0.704 -0.921) 1.457 2.835 ( 0.318 7.684 0.519) 7.708 2.846 ( -0.844 7.845 -0.459) 7.904 3.005 ( -1.243 -1.397 0.318) 1.896 3.013 ( 0.692 -4.328 -0.312) 4.394 3.049 ( 2.258 -2.955 1.255) 3.925 3.079 ( -1.749 -0.042 -1.743) 2.470 3.243 ( -1.469 -0.845 0.675) 1.824 3.262 ( 0.304 -1.216 -0.791) 1.482 3.310 ( 5.908 -2.857 0.986) 6.636 3.325 ( -4.909 -2.692 -0.163) 5.601 3.552 ( 1.414 1.293 1.698) 2.560 3.593 ( -2.603 -0.216 -2.302) 3.481 3.685 ( 4.627 -2.320 0.832) 5.243 3.695 ( -2.987 -2.300 -0.228) 3.777 3.908 ( -0.555 6.287 0.539) 6.334 3.922 ( 0.883 5.675 -0.804) 5.800 3.963 ( -1.642 3.214 1.043) 3.756 3.981 ( 1.067 3.235 -0.812) 3.501 4.433 ( 1.066 4.367 1.887) 4.875 4.471 ( -1.041 4.901 -1.739) 5.304 4.812 ( 0.096 -5.825 0.681) 5.865 4.826 ( -0.026 -5.092 -0.635) 5.132 5.116 ( 0.282 6.866 0.171) 6.874 5.121 ( -0.318 6.075 -0.261) 6.089 5.475 ( 0.259 -3.858 0.667) 3.924 5.488 ( -1.211 -3.206 -0.603) 3.480 5.522 ( 2.854 3.346 2.648) 5.133 5.580 ( -3.407 1.765 -2.965) 4.849 5.631 ( -1.147 -1.232 0.451) 1.743 5.637 ( 2.592 -0.821 -0.057) 2.719 6.163 ( 0.320 4.716 4.332) 6.411 6.223 ( -0.830 3.603 -0.130) 3.700 6.229 ( -0.543 3.648 0.135) 3.690 6.311 ( 1.822 2.587 -8.064) 8.663 6.699 ( -2.507 -1.543 0.215) 2.951 6.705 ( 2.039 -1.622 -0.287) 2.621 6.883 ( -0.796 -6.033 4.348) 7.479 6.946 ( 0.710 -6.475 -2.106) 6.846 7.352 ( 1.916 0.850 0.929) 2.293 7.373 ( -2.278 0.441 -1.130) 2.581 7.440 ( 0.808 -3.133 0.273) 3.247 7.443 ( -0.518 -3.303 -0.061) 3.344 10.638 ( -0.050 -1.114 0.139) 1.124 10.641 ( 0.032 -1.192 -0.164) 1.204 10.682 ( 0.311 -2.406 0.219) 2.436 10.686 ( -0.256 -2.452 -0.149) 2.470 11.138 ( -0.391 3.387 1.054) 3.569 11.162 ( 0.499 3.162 -1.309) 3.459 11.254 ( -0.519 1.082 1.492) 1.915 11.282 ( 0.425 0.701 -1.255) 1.499 11.472 ( -0.451 5.071 0.359) 5.103 11.477 ( 0.375 4.099 -0.073) 4.116 11.599 ( -1.056 1.436 1.590) 2.388 11.640 ( 1.608 0.597 -2.310) 2.877 11.793 ( 1.248 -2.131 0.542) 2.529 11.808 ( -2.125 -2.045 -1.001) 3.114 11.871 ( 2.680 -1.529 0.934) 3.224 11.885 ( -2.385 -1.411 -0.454) 2.808 ======================= Grid point 80 (38/52) ======================= q-point: ( 0.12 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 1.990 11.952 -2.466) 12.365 0.790 ( 2.483 8.335 7.240) 11.316 0.841 ( 2.445 8.609 -2.802) 9.378 0.945 ( 4.895 4.574 -5.229) 8.499 1.030 ( 0.701 5.936 3.569) 6.962 1.122 ( 0.940 0.147 0.765) 1.220 1.145 ( 0.085 -1.346 0.283) 1.378 1.210 ( 6.159 3.731 0.863) 7.252 1.279 ( 1.423 9.842 -4.259) 10.818 1.296 ( 5.674 7.569 2.304) 9.736 1.342 ( 0.827 0.843 0.960) 1.522 1.389 ( 2.841 -0.640 -0.912) 3.052 1.458 ( 1.430 7.100 1.899) 7.487 1.525 ( 2.085 4.715 -1.454) 5.356 1.536 ( -0.165 1.578 -0.829) 1.790 1.553 ( 2.320 2.620 -1.529) 3.819 1.666 ( 2.338 -3.785 -0.224) 4.455 1.711 ( 0.214 -0.614 1.211) 1.374 1.725 ( 2.126 -0.988 1.238) 2.652 1.785 ( 0.362 2.232 -1.258) 2.588 1.871 ( 0.505 1.477 0.909) 1.807 1.916 ( 1.755 2.233 -0.076) 2.841 2.033 ( 0.688 -1.883 -1.777) 2.678 2.074 ( 2.477 -1.271 1.714) 3.269 2.692 ( -6.899 5.809 0.166) 9.020 2.723 ( -6.257 2.838 -0.642) 6.901 2.814 ( -3.888 4.527 0.565) 5.994 2.830 ( -2.348 5.121 -0.070) 5.634 2.901 ( -2.348 1.820 0.475) 3.008 2.925 ( -3.254 0.013 -0.455) 3.285 3.025 ( -1.704 -2.456 -0.343) 3.009 3.108 ( -3.707 -2.798 0.310) 4.655 3.256 ( 0.669 -0.583 -0.202) 0.910 3.266 ( -1.002 -1.007 -0.259) 1.444 3.305 ( 2.663 -2.553 0.139) 3.692 3.398 ( 2.124 -4.483 0.459) 4.981 3.514 ( -2.250 -0.826 -1.092) 2.634 3.544 ( -1.277 0.566 1.099) 1.777 3.726 ( 3.495 -1.045 -0.089) 3.649 3.807 ( 3.204 -2.607 0.028) 4.131 3.901 ( 0.221 5.739 -0.032) 5.743 3.924 ( 0.096 5.254 0.070) 5.255 4.022 ( 6.422 2.323 0.002) 6.829 4.043 ( 5.004 2.367 -0.107) 5.536 4.440 ( -0.844 4.367 -1.662) 4.748 4.473 ( 1.051 3.523 1.651) 4.030 4.734 ( -6.465 -3.847 0.082) 7.524 4.762 ( -5.698 -4.657 -0.164) 7.361 5.171 ( 4.251 5.587 -0.161) 7.022 5.175 ( 4.086 5.153 0.175) 6.578 5.421 ( -4.537 4.562 -0.593) 6.461 5.449 ( -3.193 1.472 0.425) 3.541 5.510 ( -0.046 -2.528 -0.206) 2.537 5.555 ( -1.254 -1.189 0.420) 1.779 5.625 ( 0.562 0.791 1.233) 1.569 5.660 ( -0.863 -0.315 -1.225) 1.531 6.029 ( -9.228 2.376 0.175) 9.530 6.045 ( -7.774 0.413 -0.009) 7.785 6.282 ( -0.121 0.322 2.715) 2.736 6.366 ( -1.344 -2.375 -4.014) 4.853 6.634 ( -3.709 0.312 -0.071) 3.723 6.745 ( 1.494 -2.545 -1.737) 3.424 6.832 ( -3.570 -6.688 3.038) 8.167 6.972 ( 0.282 -7.634 -0.601) 7.662 7.403 ( 5.792 0.055 -1.018) 5.881 7.461 ( 6.573 -1.488 1.170) 6.841 7.490 ( 4.814 -1.886 -0.247) 5.176 7.528 ( 7.248 -2.585 0.096) 7.695 10.629 ( -0.846 -1.129 0.089) 1.414 10.633 ( -0.774 -1.279 -0.077) 1.496 10.680 ( -0.127 -2.354 -0.144) 2.362 10.689 ( 0.193 -2.498 0.077) 2.507 11.122 ( -1.475 3.383 0.660) 3.749 11.149 ( -1.003 3.106 -0.831) 3.368 11.242 ( -1.413 1.149 1.305) 2.240 11.264 ( -1.378 0.744 -1.157) 1.948 11.450 ( -1.339 5.339 0.206) 5.508 11.485 ( -0.349 4.473 0.109) 4.488 11.517 ( -4.750 3.892 -0.129) 6.142 11.609 ( -4.336 2.923 -0.165) 5.232 11.798 ( 1.180 -1.156 -0.138) 1.658 11.855 ( 4.332 -3.266 1.446) 5.615 11.887 ( 4.843 -2.207 -2.343) 5.815 12.010 ( 7.054 -5.761 1.050) 9.168 ======================= Grid point 81 (39/52) ======================= q-point: ( 0.25 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 6.324 8.186 -3.174) 10.820 0.860 ( 0.416 5.567 -0.743) 5.632 0.904 ( 5.769 5.851 4.776) 9.504 0.968 ( 0.755 2.835 -1.061) 3.119 1.017 ( -0.785 1.269 0.796) 1.691 1.103 ( -2.034 -1.578 -0.556) 2.633 1.200 ( 2.812 6.160 0.710) 6.809 1.250 ( 1.185 7.548 -3.088) 8.241 1.338 ( 0.484 -0.468 0.117) 0.683 1.363 ( 4.227 2.493 1.930) 5.273 1.438 ( 2.884 2.713 2.368) 4.613 1.466 ( 0.639 2.917 -2.134) 3.671 1.496 ( 1.763 0.902 -0.539) 2.053 1.539 ( -0.681 0.700 1.625) 1.896 1.584 ( 10.054 7.267 -0.650) 12.422 1.634 ( 1.751 5.405 -1.214) 5.810 1.662 ( -0.936 1.202 -0.254) 1.545 1.710 ( 1.985 1.207 -1.582) 2.811 1.788 ( 1.811 1.152 2.020) 2.947 1.822 ( 2.471 1.395 0.023) 2.838 1.894 ( 1.632 0.692 0.643) 1.886 1.942 ( 1.492 -0.099 0.651) 1.631 2.080 ( 5.231 -1.517 -1.898) 5.767 2.138 ( 2.719 -1.597 1.038) 3.320 2.585 ( -3.162 7.691 0.245) 8.320 2.617 ( -2.863 4.934 -0.634) 5.740 2.736 ( -2.749 4.064 0.145) 4.909 2.768 ( -2.390 3.536 -0.009) 4.268 2.908 ( 1.204 0.736 0.171) 1.421 2.920 ( 1.021 1.009 -0.094) 1.439 2.992 ( -1.366 -0.891 0.249) 1.650 3.035 ( -3.488 -0.077 -0.357) 3.507 3.219 ( -2.543 -0.753 0.496) 2.698 3.263 ( 0.450 -1.465 -0.599) 1.645 3.319 ( -2.176 -2.783 0.562) 3.577 3.382 ( -3.640 -5.048 -0.429) 6.238 3.498 ( 1.544 -1.794 -0.345) 2.392 3.553 ( 1.507 -1.446 0.501) 2.147 3.768 ( 0.900 2.019 0.220) 2.221 3.815 ( -1.139 1.961 -0.188) 2.276 3.895 ( -1.362 3.440 -0.071) 3.701 3.918 ( -1.372 2.503 0.008) 2.855 4.128 ( 3.159 0.896 0.321) 3.299 4.133 ( 3.568 0.776 -0.399) 3.673 4.413 ( -1.404 3.654 -0.369) 3.932 4.472 ( -1.703 3.189 0.186) 3.620 4.610 ( -6.205 -3.932 -0.201) 7.348 4.649 ( -5.446 -3.319 0.363) 6.388 5.230 ( 2.316 3.278 -0.246) 4.021 5.244 ( 3.087 3.247 0.187) 4.484 5.396 ( 2.304 7.334 0.177) 7.690 5.427 ( 0.899 5.170 -0.308) 5.257 5.487 ( -2.696 0.990 0.177) 2.877 5.509 ( -2.925 -0.054 -0.037) 2.926 5.619 ( -0.352 0.758 -1.135) 1.410 5.663 ( 1.185 1.002 1.069) 1.884 5.888 ( -7.224 -0.983 -0.357) 7.299 5.917 ( -6.230 -3.260 0.441) 7.045 6.245 ( -2.894 -5.083 0.568) 5.877 6.285 ( -3.652 -6.096 0.062) 7.107 6.572 ( -1.855 2.227 -0.423) 2.929 6.713 ( -2.612 -2.480 -3.236) 4.842 6.806 ( -2.054 -8.292 4.236) 9.535 6.939 ( -2.822 -8.040 -1.111) 8.593 7.518 ( 5.195 -2.012 -0.151) 5.573 7.552 ( 3.345 -1.900 -0.208) 3.852 7.604 ( 5.124 -2.417 -0.061) 5.665 7.648 ( 3.848 -3.285 0.441) 5.079 10.608 ( -1.212 -1.209 -0.122) 1.716 10.614 ( -1.103 -1.311 0.088) 1.716 10.678 ( -0.138 -2.339 0.112) 2.345 10.688 ( -0.197 -2.466 -0.137) 2.477 11.100 ( -1.013 3.290 0.110) 3.444 11.123 ( -1.199 3.264 -0.062) 3.477 11.220 ( -1.643 0.945 0.057) 1.896 11.228 ( -1.426 1.518 -0.114) 2.086 11.427 ( -1.084 5.615 0.106) 5.720 11.442 ( -2.546 5.335 -0.103) 5.912 11.474 ( -1.156 3.697 0.042) 3.874 11.529 ( -3.546 4.648 0.034) 5.846 11.842 ( 2.837 -0.949 0.463) 3.027 11.938 ( 3.622 -3.845 -1.640) 5.531 11.980 ( 5.236 -3.320 0.754) 6.245 12.133 ( 4.976 -7.560 0.454) 9.062 ======================= Grid point 82 (40/52) ======================= q-point: ( 0.38 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 1.649 6.471 -1.309) 6.804 0.894 ( 5.048 -0.185 0.659) 5.094 0.952 ( -0.998 1.336 1.924) 2.546 0.990 ( -1.606 -1.288 -2.734) 3.422 1.083 ( 5.887 4.204 2.471) 7.645 1.119 ( 6.413 3.293 -0.282) 7.215 1.245 ( 2.071 5.029 0.141) 5.441 1.282 ( 2.628 7.758 -0.056) 8.191 1.350 ( 0.051 1.261 0.915) 1.559 1.394 ( -1.468 3.813 -1.811) 4.469 1.419 ( -0.185 2.524 -1.795) 3.103 1.493 ( -0.228 3.739 0.771) 3.824 1.499 ( -3.543 2.519 1.218) 4.514 1.537 ( 1.722 0.119 1.393) 2.218 1.594 ( -3.547 4.925 0.333) 6.078 1.638 ( -0.667 -0.126 -0.388) 0.781 1.695 ( 0.357 1.050 -1.794) 2.110 1.741 ( 1.921 0.465 0.954) 2.195 1.809 ( -0.527 0.564 -0.549) 0.947 1.823 ( -1.339 2.231 -3.075) 4.029 1.948 ( 2.870 3.309 4.671) 6.404 2.038 ( 6.048 1.450 -1.765) 6.465 2.152 ( 1.858 -0.709 0.647) 2.091 2.180 ( 1.814 -0.733 -0.669) 2.067 2.579 ( 1.293 8.025 0.051) 8.128 2.602 ( 0.144 7.131 -0.145) 7.134 2.747 ( 4.084 1.549 -0.123) 4.370 2.778 ( 3.145 1.720 0.132) 3.587 2.924 ( 0.403 0.937 -0.204) 1.040 2.927 ( 0.421 0.543 0.295) 0.748 2.969 ( -1.923 0.782 0.601) 2.161 2.979 ( -1.300 0.477 -0.584) 1.503 3.173 ( -3.685 -0.128 0.040) 3.688 3.216 ( -7.992 -1.152 0.959) 8.132 3.284 ( 1.543 -2.643 -1.033) 3.230 3.312 ( -2.154 -2.627 0.043) 3.397 3.562 ( 4.569 -4.218 0.287) 6.225 3.603 ( 3.550 -3.290 -0.146) 4.842 3.755 ( -2.715 0.559 -0.106) 2.774 3.770 ( -3.948 0.266 0.011) 3.957 3.869 ( -0.103 2.833 0.311) 2.852 3.885 ( -0.833 2.150 -0.348) 2.332 4.153 ( 0.129 0.555 0.021) 0.570 4.160 ( -0.051 1.169 -0.005) 1.170 4.385 ( -1.216 3.488 0.835) 3.787 4.435 ( -1.574 3.180 -0.668) 3.611 4.509 ( -3.909 -3.761 0.199) 5.428 4.554 ( -4.579 -3.118 -0.284) 5.548 5.285 ( 3.339 2.344 0.177) 4.084 5.308 ( 3.187 1.818 -0.108) 3.671 5.435 ( 0.349 4.346 0.000) 4.360 5.438 ( 0.805 4.060 -0.180) 4.143 5.479 ( 2.251 6.757 0.521) 7.141 5.493 ( 1.578 4.118 -0.231) 4.416 5.607 ( -1.732 -0.810 -0.172) 1.920 5.663 ( -2.657 2.068 0.219) 3.374 5.741 ( -6.033 0.056 -0.449) 6.050 5.788 ( -6.548 -2.868 0.067) 7.149 6.232 ( -0.028 -7.472 1.633) 7.649 6.254 ( 0.692 -7.661 -1.447) 7.827 6.562 ( 0.496 1.231 1.055) 1.696 6.650 ( -1.123 -1.510 -2.756) 3.337 6.789 ( -2.310 -7.103 3.366) 8.192 6.867 ( -3.323 -7.297 -1.678) 8.191 7.590 ( 2.852 -3.235 -0.271) 4.321 7.597 ( 1.441 -2.677 0.546) 3.089 7.653 ( 0.620 -3.732 -1.172) 3.960 7.673 ( -1.083 -4.122 0.907) 4.358 10.588 ( -0.771 -1.197 0.010) 1.424 10.595 ( -0.826 -1.368 -0.051) 1.599 10.676 ( -0.208 -2.379 0.215) 2.398 10.683 ( -0.209 -2.436 -0.177) 2.452 11.087 ( -0.254 3.161 -0.059) 3.171 11.108 ( -0.529 3.495 0.116) 3.537 11.188 ( -1.091 1.264 -0.288) 1.694 11.208 ( -0.980 1.930 0.225) 2.176 11.410 ( -0.560 4.909 -0.112) 4.942 11.416 ( -0.415 4.501 0.077) 4.521 11.453 ( -0.918 3.958 0.117) 4.065 11.477 ( -1.972 4.895 -0.054) 5.277 11.896 ( 2.037 -0.765 1.008) 2.398 11.974 ( 1.709 -2.915 -2.908) 4.458 12.079 ( 3.511 -4.165 2.975) 6.207 12.200 ( 2.185 -7.189 -1.077) 7.591 ======================= Grid point 83 (41/52) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 1.869 2.864 0.998) 3.563 0.908 ( -2.719 0.474 -2.107) 3.472 0.954 ( -1.572 -0.011 1.640) 2.272 0.982 ( 2.708 -1.343 -0.673) 3.097 1.162 ( 0.280 5.792 1.976) 6.126 1.209 ( -1.183 6.333 -2.778) 7.016 1.289 ( 0.800 1.194 3.736) 4.003 1.333 ( 1.592 8.113 1.479) 8.399 1.352 ( 2.227 2.728 -1.185) 3.716 1.372 ( -3.288 1.376 -2.330) 4.258 1.401 ( 1.519 3.926 0.207) 4.215 1.411 ( -1.758 4.209 -0.464) 4.585 1.503 ( 1.773 3.325 0.026) 3.768 1.512 ( -3.511 4.753 -0.451) 5.926 1.598 ( 1.831 -0.672 1.983) 2.781 1.620 ( -0.728 1.395 -0.671) 1.711 1.702 ( 1.923 0.744 0.672) 2.168 1.734 ( -2.070 -0.922 -1.904) 2.960 1.790 ( -0.751 1.728 -0.190) 1.894 1.798 ( 0.779 1.694 -1.638) 2.482 2.017 ( 0.579 2.719 3.808) 4.715 2.077 ( -0.151 1.075 -2.298) 2.542 2.175 ( -0.036 -0.274 0.883) 0.925 2.193 ( -0.066 0.010 -0.834) 0.836 2.598 ( -0.464 7.288 0.041) 7.303 2.599 ( 0.445 7.357 -0.032) 7.371 2.812 ( 0.301 1.406 0.415) 1.497 2.820 ( -0.190 1.508 -0.353) 1.560 2.937 ( -0.014 0.527 0.461) 0.701 2.947 ( -0.117 0.204 -0.465) 0.521 2.966 ( -0.398 0.657 0.119) 0.777 2.968 ( 0.486 0.870 -0.054) 0.998 3.090 ( -0.982 -0.577 1.056) 1.553 3.112 ( 1.100 -0.516 -1.043) 1.601 3.281 ( -1.153 -0.657 1.430) 1.951 3.311 ( 1.001 -1.462 -1.460) 2.296 3.655 ( 1.765 -8.223 0.949) 8.464 3.675 ( -4.591 -4.334 -0.654) 6.347 3.678 ( 0.880 -0.136 0.111) 0.897 3.687 ( 1.869 0.914 -0.393) 2.117 3.880 ( 0.024 3.008 0.358) 3.030 3.887 ( 0.028 2.794 -0.303) 2.811 4.152 ( -0.130 0.887 0.220) 0.923 4.156 ( 0.185 0.961 -0.134) 0.988 4.384 ( 0.128 3.355 1.459) 3.661 4.413 ( -0.144 3.280 -1.380) 3.561 4.475 ( 0.425 -3.838 0.835) 3.950 4.493 ( -0.438 -3.655 -0.899) 3.790 5.326 ( -0.167 3.057 0.567) 3.113 5.339 ( 0.157 2.742 -0.608) 2.812 5.449 ( 0.250 1.292 0.641) 1.464 5.460 ( -0.160 0.668 -0.484) 0.840 5.522 ( -3.134 6.795 1.081) 7.561 5.545 ( 4.759 3.971 -1.155) 6.305 5.556 ( 3.852 2.967 0.595) 4.898 5.566 ( -5.172 5.027 -0.390) 7.223 5.695 ( -0.037 -1.521 1.124) 1.892 5.723 ( -0.379 -1.112 -1.572) 1.962 6.228 ( -1.427 -7.480 2.029) 7.881 6.271 ( 1.563 -8.562 -2.150) 8.965 6.585 ( 0.065 0.587 2.017) 2.102 6.631 ( -0.171 -1.203 -2.633) 2.900 6.776 ( -0.264 -5.963 2.594) 6.508 6.819 ( 0.298 -6.408 -1.711) 6.639 7.615 ( -0.203 -2.881 0.804) 2.998 7.631 ( -1.094 -3.818 -0.645) 4.023 7.641 ( 1.559 -4.397 0.308) 4.676 7.650 ( -0.298 -4.623 -0.434) 4.653 10.581 ( 0.091 -1.257 0.166) 1.272 10.585 ( -0.090 -1.337 -0.196) 1.354 10.675 ( -0.026 -2.398 0.262) 2.412 10.680 ( 0.035 -2.430 -0.227) 2.440 11.090 ( 0.284 3.187 0.347) 3.218 11.097 ( -0.362 3.373 -0.426) 3.419 11.184 ( 0.500 1.658 0.468) 1.794 11.193 ( -0.418 1.940 -0.388) 2.022 11.408 ( 0.054 4.214 0.152) 4.217 11.412 ( -0.058 4.030 -0.250) 4.038 11.446 ( -0.124 4.510 0.474) 4.537 11.455 ( 0.120 4.836 -0.364) 4.851 11.926 ( 0.109 -0.898 1.639) 1.872 11.969 ( -0.316 -1.988 -2.755) 3.412 12.143 ( 0.888 -5.047 3.576) 6.249 12.203 ( -0.679 -6.438 -2.473) 6.930 ======================= Grid point 84 (42/52) ======================= q-point: (-0.38 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -2.945 4.568 -1.527) 5.645 0.896 ( -3.250 2.029 0.825) 3.919 0.941 ( 1.411 -1.163 1.847) 2.600 0.992 ( -0.978 1.573 -2.013) 2.735 1.095 ( -5.455 3.261 1.932) 6.643 1.118 ( -4.376 3.096 -0.752) 5.413 1.258 ( -4.122 4.803 -1.034) 6.413 1.311 ( -3.070 7.584 -2.249) 8.485 1.339 ( 2.050 5.508 2.004) 6.210 1.372 ( -0.789 0.585 0.907) 1.337 1.402 ( 0.024 1.281 -1.448) 1.934 1.485 ( 1.378 3.676 1.009) 4.054 1.505 ( 4.944 3.065 1.130) 5.926 1.536 ( -0.992 1.629 0.979) 2.144 1.605 ( 1.955 4.377 -0.199) 4.798 1.647 ( -0.388 -1.878 -0.241) 1.933 1.686 ( -0.648 1.917 -2.510) 3.224 1.757 ( 1.807 1.153 2.710) 3.455 1.772 ( -0.736 2.122 -1.776) 2.863 1.810 ( 0.938 0.611 -0.096) 1.123 1.979 ( -6.630 2.568 2.368) 7.494 2.045 ( -1.083 1.805 -2.891) 3.576 2.145 ( -4.362 -0.710 1.359) 4.624 2.175 ( -0.946 -0.686 -0.444) 1.250 2.585 ( -0.539 7.609 -0.554) 7.648 2.595 ( -0.943 7.409 0.532) 7.488 2.750 ( -4.529 1.496 -0.274) 4.777 2.777 ( -2.659 1.974 0.188) 3.317 2.921 ( -0.923 0.641 0.093) 1.128 2.934 ( 0.373 0.926 -0.210) 1.020 2.965 ( 1.389 0.489 0.628) 1.601 2.982 ( 1.584 0.559 -0.500) 1.753 3.179 ( 5.895 -0.463 -0.492) 5.933 3.213 ( 4.163 -0.064 1.319) 4.367 3.281 ( 2.267 -3.228 -0.859) 4.037 3.311 ( -0.094 -2.925 0.088) 2.928 3.573 ( -4.509 -3.713 -0.612) 5.873 3.592 ( -3.640 -3.772 0.704) 5.289 3.756 ( 2.968 1.588 -0.240) 3.375 3.767 ( 3.792 -0.914 0.264) 3.910 3.876 ( 0.318 3.707 0.309) 3.733 3.880 ( 0.491 1.500 -0.379) 1.623 4.152 ( -0.286 0.925 0.088) 0.972 4.163 ( 0.205 0.858 -0.159) 0.896 4.408 ( 1.376 3.251 -0.264) 3.540 4.415 ( 1.570 3.350 0.264) 3.709 4.519 ( 3.480 -3.328 -0.553) 4.847 4.542 ( 4.918 -3.530 0.593) 6.083 5.290 ( -3.388 2.351 -0.174) 4.128 5.304 ( -3.046 1.814 0.177) 3.550 5.431 ( -1.237 6.000 0.134) 6.128 5.439 ( -0.051 2.400 -0.142) 2.405 5.483 ( -1.634 5.182 0.275) 5.440 5.493 ( -2.238 5.366 -0.319) 5.823 5.620 ( 1.856 0.213 -1.339) 2.298 5.654 ( 1.809 1.741 1.093) 2.738 5.741 ( 6.548 -1.437 -0.588) 6.730 5.778 ( 6.865 -1.560 0.888) 7.096 6.204 ( -1.938 -6.889 1.559) 7.325 6.285 ( 1.565 -8.617 -1.668) 8.915 6.588 ( -0.752 0.702 0.693) 1.241 6.611 ( 1.111 -1.056 -1.167) 1.927 6.815 ( 1.953 -6.668 2.652) 7.437 6.854 ( 3.736 -7.573 -2.125) 8.707 7.585 ( -2.343 -2.757 0.164) 3.622 7.607 ( -1.772 -3.187 -0.176) 3.651 7.636 ( -0.853 -3.340 0.201) 3.453 7.684 ( 1.116 -4.414 -0.135) 4.555 10.590 ( 0.672 -1.226 -0.166) 1.408 10.593 ( 0.920 -1.312 0.151) 1.610 10.678 ( 0.165 -2.404 0.204) 2.419 10.682 ( 0.274 -2.446 -0.215) 2.471 11.088 ( -0.024 3.217 -0.091) 3.219 11.106 ( 0.931 3.396 0.190) 3.527 11.188 ( 0.473 1.414 -0.283) 1.518 11.208 ( 1.473 1.811 0.176) 2.341 11.409 ( 0.382 4.728 -0.045) 4.744 11.417 ( 0.633 4.634 0.034) 4.677 11.452 ( 0.758 4.304 0.145) 4.373 11.478 ( 2.081 4.613 -0.103) 5.061 11.919 ( -2.060 -1.497 1.978) 3.224 11.929 ( -2.103 -1.480 -1.999) 3.257 12.141 ( -3.445 -5.949 -2.008) 7.162 12.159 ( -1.807 -6.126 2.020) 6.699 ======================= Grid point 85 (43/52) ======================= q-point: (-0.25 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -7.285 9.781 -0.753) 12.219 0.849 ( -0.955 4.242 0.459) 4.373 0.907 ( -3.346 5.790 2.128) 7.017 1.010 ( -4.276 2.790 -2.053) 5.503 1.036 ( 3.401 -1.320 -0.409) 3.672 1.092 ( 1.906 -0.243 -0.043) 1.922 1.192 ( -2.531 8.568 1.160) 9.009 1.232 ( -3.432 6.842 -1.574) 7.815 1.354 ( -0.720 1.790 -0.841) 2.105 1.378 ( -2.604 -1.493 -0.256) 3.013 1.399 ( -0.071 3.603 3.743) 5.196 1.458 ( -5.452 1.806 0.462) 5.762 1.504 ( -0.699 1.978 -0.570) 2.174 1.569 ( -0.125 3.423 -1.363) 3.687 1.589 ( -8.586 5.915 -0.210) 10.428 1.617 ( -1.208 1.796 -0.155) 2.169 1.655 ( -1.196 3.615 -0.172) 3.811 1.719 ( 0.321 2.918 -1.684) 3.384 1.788 ( -1.098 -1.328 1.215) 2.108 1.806 ( -1.894 0.825 1.542) 2.578 1.894 ( -0.998 1.769 0.329) 2.057 2.002 ( -1.048 0.116 -4.366) 4.491 2.032 ( -7.485 -0.597 2.970) 8.075 2.142 ( -2.791 -2.056 0.528) 3.507 2.598 ( 2.969 7.289 -0.741) 7.905 2.602 ( 3.123 5.615 0.482) 6.443 2.729 ( 2.400 3.043 0.539) 3.912 2.776 ( 2.551 4.317 -0.414) 5.031 2.903 ( -1.302 0.837 0.341) 1.585 2.928 ( -1.070 1.025 -0.392) 1.533 3.001 ( 1.950 -1.618 -0.347) 2.557 3.024 ( 2.980 0.328 0.337) 3.017 3.236 ( 0.996 -0.991 -0.595) 1.526 3.252 ( 2.133 -0.899 0.040) 2.315 3.323 ( 1.454 -3.136 0.321) 3.471 3.369 ( 3.414 -5.196 0.369) 6.228 3.501 ( -2.190 -1.576 -0.607) 2.765 3.552 ( -1.045 -1.548 0.594) 1.960 3.776 ( -0.255 2.041 -0.357) 2.087 3.806 ( 0.460 1.920 0.411) 2.017 3.899 ( 1.289 3.453 -0.482) 3.717 3.912 ( 1.487 2.649 0.581) 3.093 4.124 ( -3.129 1.168 0.226) 3.348 4.137 ( -3.475 0.452 -0.391) 3.526 4.423 ( 0.668 3.166 -1.371) 3.514 4.462 ( 2.149 3.570 1.180) 4.331 4.608 ( 6.035 -3.599 -0.032) 7.026 4.652 ( 5.814 -3.626 0.145) 6.854 5.228 ( -2.359 3.217 -0.152) 3.993 5.246 ( -3.063 3.389 0.057) 4.568 5.407 ( -2.584 6.934 -0.752) 7.438 5.417 ( -0.634 5.641 0.615) 5.710 5.491 ( 2.857 0.906 -0.126) 2.999 5.505 ( 2.846 0.389 0.266) 2.885 5.612 ( -0.951 -0.453 -0.473) 1.155 5.668 ( 0.090 1.843 0.539) 1.922 5.886 ( 7.343 -1.929 -0.240) 7.596 5.917 ( 5.963 -2.237 0.405) 6.382 6.207 ( 1.849 -4.580 1.759) 5.243 6.339 ( 5.756 -7.433 -2.141) 9.642 6.580 ( 0.692 0.651 -1.237) 1.560 6.666 ( 3.636 -0.746 1.057) 3.859 6.855 ( 0.676 -8.129 0.628) 8.181 6.919 ( 3.675 -8.073 -0.377) 8.878 7.523 ( -4.600 -2.249 -0.557) 5.150 7.549 ( -4.328 -1.643 0.006) 4.629 7.593 ( -4.095 -2.029 0.690) 4.622 7.657 ( -4.366 -3.715 -0.161) 5.735 10.607 ( 1.120 -1.147 -0.016) 1.604 10.615 ( 1.191 -1.326 0.033) 1.783 10.682 ( 0.156 -2.388 -0.105) 2.395 10.685 ( 0.161 -2.465 0.036) 2.471 11.097 ( 0.911 3.215 0.255) 3.352 11.128 ( 1.318 3.408 -0.336) 3.670 11.208 ( 1.357 0.925 0.531) 1.726 11.238 ( 1.706 1.454 -0.461) 2.288 11.425 ( 1.132 5.834 0.210) 5.946 11.444 ( 2.581 5.011 -0.226) 5.641 11.472 ( 1.002 3.811 0.155) 3.944 11.531 ( 3.612 4.621 -0.083) 5.866 11.862 ( -3.120 -1.602 -1.508) 3.818 11.883 ( -3.439 -1.714 2.494) 4.581 12.034 ( -5.585 -5.322 -3.177) 8.343 12.116 ( -4.392 -7.145 2.132) 8.654 ======================= Grid point 86 (44/52) ======================= q-point: (-0.12 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -1.414 13.575 2.246) 13.832 0.826 ( -4.349 8.032 2.578) 9.491 0.853 ( -3.982 8.056 -0.281) 8.991 0.923 ( -1.848 5.387 -4.781) 7.435 1.082 ( 2.288 0.528 -1.562) 2.821 1.139 ( 0.090 0.065 1.448) 1.453 1.149 ( -3.470 3.730 -0.841) 5.164 1.188 ( -0.226 7.050 3.675) 7.954 1.205 ( -10.046 4.844 0.439) 11.161 1.305 ( -6.361 7.898 0.465) 10.152 1.360 ( -1.789 4.645 0.730) 5.031 1.380 ( -2.272 1.468 -0.978) 2.876 1.454 ( -0.980 3.378 -0.058) 3.518 1.495 ( 0.962 0.410 1.227) 1.612 1.565 ( -0.597 4.354 -2.412) 5.014 1.586 ( -0.713 0.117 -2.947) 3.035 1.655 ( -0.923 0.211 0.857) 1.277 1.722 ( -4.812 -3.583 0.974) 6.078 1.750 ( -0.302 0.474 -0.662) 0.869 1.765 ( 0.069 1.603 -0.566) 1.701 1.892 ( 0.088 2.321 -0.589) 2.396 1.905 ( -4.008 1.708 0.808) 4.431 2.007 ( 0.604 -0.066 0.470) 0.768 2.087 ( -2.754 -2.510 0.354) 3.742 2.698 ( 6.576 5.181 -0.074) 8.372 2.712 ( 6.603 3.707 -0.006) 7.572 2.805 ( 3.310 4.989 0.791) 6.039 2.842 ( 3.027 4.701 -0.496) 5.613 2.905 ( 2.706 1.151 0.386) 2.966 2.921 ( 2.743 0.485 -0.342) 2.807 3.033 ( 1.540 -3.191 -1.035) 3.691 3.099 ( 4.246 -1.969 1.057) 4.798 3.246 ( -0.448 -0.883 0.247) 1.021 3.281 ( 0.136 -0.431 -1.105) 1.194 3.312 ( -2.640 -3.491 -0.372) 4.393 3.392 ( -1.665 -4.474 1.018) 4.881 3.498 ( 2.008 0.296 0.192) 2.039 3.553 ( 1.410 -0.077 0.200) 1.426 3.740 ( -3.337 -1.238 -1.271) 3.779 3.790 ( -3.777 -2.194 1.355) 4.573 3.903 ( 0.010 5.918 -0.102) 5.919 3.924 ( -0.244 5.171 0.105) 5.178 4.029 ( -5.826 2.469 -0.546) 6.351 4.039 ( -5.302 1.860 0.257) 5.624 4.420 ( -0.208 3.843 0.182) 3.853 4.490 ( 0.056 4.076 -0.033) 4.076 4.732 ( 6.303 -4.703 0.155) 7.866 4.763 ( 5.692 -3.828 -0.225) 6.863 5.170 ( -4.223 5.786 -0.074) 7.163 5.178 ( -4.081 4.904 -0.026) 6.380 5.413 ( 4.189 4.529 -0.020) 6.169 5.449 ( 3.011 1.248 0.294) 3.273 5.518 ( -0.779 -2.393 -0.868) 2.662 5.550 ( 2.392 -1.051 0.912) 2.767 5.622 ( 1.263 0.387 1.098) 1.717 5.666 ( -0.695 0.134 -1.322) 1.499 6.030 ( 7.841 1.760 0.071) 8.036 6.037 ( 8.568 1.027 0.548) 8.647 6.264 ( 0.757 0.370 2.128) 2.289 6.415 ( 1.583 -4.792 -5.661) 7.584 6.624 ( 4.486 1.055 0.823) 4.681 6.727 ( 1.422 -1.563 -0.002) 2.113 6.853 ( -0.752 -6.618 1.312) 6.788 6.964 ( 0.540 -7.883 -0.231) 7.905 7.400 ( -6.208 0.093 -0.728) 6.251 7.460 ( -5.151 -1.582 0.986) 5.478 7.495 ( -5.507 -2.250 -0.439) 5.965 7.528 ( -7.598 -2.274 0.103) 7.932 10.628 ( 0.910 -1.157 0.124) 1.477 10.634 ( 0.761 -1.279 -0.094) 1.491 10.680 ( -0.122 -2.330 -0.158) 2.339 10.688 ( 0.007 -2.460 0.144) 2.464 11.122 ( 1.196 3.275 0.660) 3.549 11.150 ( 1.303 3.240 -0.856) 3.596 11.239 ( 1.082 0.904 1.232) 1.873 11.267 ( 1.691 0.958 -1.054) 2.211 11.451 ( 1.317 5.885 0.180) 6.033 11.485 ( 0.079 3.684 0.155) 3.688 11.517 ( 5.070 3.679 -0.116) 6.265 11.610 ( 4.101 3.318 -0.203) 5.279 11.802 ( -2.032 -1.738 -0.591) 2.739 11.836 ( -2.058 -0.960 1.714) 2.845 11.902 ( -5.913 -4.113 -2.132) 7.512 12.015 ( -7.065 -5.985 0.709) 9.286 ======================= Grid point 87 (45/52) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -2.116 8.316 1.683) 8.745 0.957 ( 3.475 10.806 1.700) 11.477 0.995 ( -0.414 6.358 0.089) 6.372 1.059 ( -1.142 7.036 -3.589) 7.981 1.081 ( 0.761 -0.241 -0.081) 0.802 1.090 ( -0.135 -2.274 -0.497) 2.332 1.187 ( -2.771 8.030 1.679) 8.659 1.215 ( 1.007 -3.728 1.283) 4.069 1.225 ( 1.397 1.287 -0.372) 1.936 1.267 ( -0.086 -7.132 -1.816) 7.360 1.355 ( 0.046 -1.997 1.682) 2.611 1.389 ( -0.045 -6.016 -1.392) 6.175 1.464 ( -0.140 -1.236 0.823) 1.491 1.476 ( -0.350 -0.227 -0.434) 0.602 1.548 ( 0.117 0.372 0.645) 0.754 1.565 ( 0.361 -1.511 -1.179) 1.950 1.645 ( 0.761 6.616 1.973) 6.946 1.690 ( -0.711 3.599 -2.225) 4.291 1.800 ( -1.247 1.720 1.671) 2.703 1.830 ( 1.682 -1.151 -1.296) 2.415 1.907 ( -1.348 3.044 1.011) 3.479 1.937 ( 0.725 1.785 -1.737) 2.594 1.985 ( -0.144 -3.017 0.733) 3.108 1.998 ( 0.314 -2.805 -0.284) 2.837 2.805 ( 0.231 2.910 0.500) 2.962 2.821 ( -0.088 2.275 -1.161) 2.556 2.892 ( -0.488 -2.465 1.308) 2.833 2.911 ( 0.512 -3.544 -0.766) 3.662 2.990 ( -0.787 3.909 0.481) 4.016 3.002 ( 1.125 3.868 -0.673) 4.084 3.045 ( -1.217 -0.225 1.613) 2.033 3.073 ( 0.688 -1.385 -1.205) 1.961 3.217 ( -0.154 -0.887 -0.227) 0.929 3.225 ( -0.248 -1.605 -0.961) 1.887 3.262 ( 1.745 -1.248 1.107) 2.414 3.269 ( -1.374 -1.882 0.437) 2.371 3.586 ( 1.127 1.549 0.465) 1.971 3.600 ( -2.234 0.748 -0.924) 2.531 3.635 ( 2.888 -2.016 0.658) 3.583 3.644 ( -1.688 -2.196 -0.294) 2.786 4.019 ( 0.134 3.135 0.252) 3.148 4.025 ( -0.257 2.857 -0.162) 2.873 4.028 ( -0.683 2.567 0.497) 2.703 4.040 ( 0.732 1.702 -0.563) 1.936 4.536 ( 0.839 5.625 2.072) 6.053 4.579 ( -0.856 5.410 -2.073) 5.856 4.673 ( 0.498 -6.931 1.532) 7.116 4.704 ( -0.430 -6.148 -1.477) 6.338 5.252 ( 0.195 6.114 0.241) 6.122 5.258 ( -0.208 6.432 -0.392) 6.448 5.374 ( 0.300 -5.320 0.536) 5.355 5.385 ( -0.358 -5.506 -0.561) 5.547 5.569 ( 1.315 1.328 1.742) 2.555 5.597 ( -0.920 -0.945 0.036) 1.319 5.609 ( -0.652 0.220 -0.537) 0.873 5.623 ( 0.282 -0.683 -0.845) 1.122 6.262 ( -1.145 3.490 2.516) 4.452 6.284 ( -0.022 1.440 1.384) 1.997 6.307 ( 0.327 3.278 -1.282) 3.535 6.344 ( 1.327 0.087 -3.705) 3.936 6.702 ( -0.227 1.699 0.010) 1.714 6.706 ( -0.096 2.581 -0.252) 2.595 6.771 ( -1.457 -4.550 2.301) 5.303 6.808 ( 1.334 -6.316 -1.450) 6.616 7.355 ( 0.989 0.047 0.591) 1.153 7.367 ( -0.764 -0.620 -0.589) 1.147 7.381 ( -0.305 -1.706 0.308) 1.760 7.387 ( 0.080 -1.723 -0.236) 1.741 10.623 ( 0.052 -0.109 0.077) 0.143 10.625 ( -0.013 -0.162 -0.118) 0.201 10.639 ( 0.138 -1.425 0.142) 1.438 10.641 ( -0.159 -1.508 -0.072) 1.518 11.203 ( -0.242 2.534 0.773) 2.660 11.220 ( 0.341 1.790 -0.965) 2.062 11.258 ( -0.318 -0.171 1.093) 1.151 11.277 ( 0.207 -1.076 -0.841) 1.381 11.552 ( -0.105 2.819 0.221) 2.830 11.560 ( 0.145 2.441 -0.549) 2.506 11.618 ( 0.013 0.263 0.872) 0.911 11.631 ( -0.063 -1.145 -0.441) 1.229 11.761 ( 0.550 -0.549 0.556) 0.955 11.772 ( -0.544 -1.309 -0.482) 1.497 11.852 ( 0.800 -0.213 0.216) 0.856 11.860 ( -0.803 -0.860 -0.514) 1.283 ======================= Grid point 88 (46/52) ======================= q-point: ( 0.12 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -0.957 7.956 -0.753) 8.048 0.981 ( -1.391 4.554 1.553) 5.009 1.021 ( 1.541 9.984 1.219) 10.175 1.034 ( 0.527 4.342 -1.702) 4.694 1.056 ( -2.880 -0.949 0.212) 3.040 1.098 ( 0.594 -0.761 -0.730) 1.210 1.209 ( 3.635 0.740 0.859) 3.808 1.228 ( 0.612 -5.672 -0.682) 5.745 1.300 ( 5.620 1.115 1.449) 5.910 1.334 ( 6.518 2.096 -1.026) 6.923 1.391 ( 2.137 0.584 -0.526) 2.277 1.440 ( 3.990 0.373 0.509) 4.039 1.473 ( 1.237 -1.874 0.009) 2.245 1.511 ( 3.966 -3.839 0.565) 5.548 1.548 ( 0.828 1.521 -0.127) 1.736 1.603 ( 3.622 -2.813 -0.454) 4.608 1.683 ( 1.998 4.469 -1.746) 5.197 1.721 ( 4.648 2.919 1.401) 5.665 1.775 ( -1.085 3.288 1.327) 3.708 1.841 ( 0.666 -0.177 -2.456) 2.551 1.892 ( -0.886 2.869 2.153) 3.694 1.955 ( 0.142 1.596 -0.523) 1.686 1.980 ( 1.878 -2.795 -0.763) 3.453 2.022 ( 2.397 -3.265 0.279) 4.060 2.753 ( -4.834 2.574 -0.215) 5.481 2.763 ( -4.204 1.858 -0.058) 4.596 2.835 ( -4.502 -1.969 1.124) 5.041 2.850 ( -5.069 -3.026 -0.976) 5.983 2.960 ( -1.617 3.500 0.210) 3.861 2.984 ( -2.578 3.757 0.337) 4.569 3.009 ( -0.939 0.341 -0.454) 1.097 3.062 ( -2.047 -2.319 0.077) 3.094 3.239 ( 0.595 -0.817 0.202) 1.031 3.243 ( 0.110 -0.774 -0.664) 1.026 3.257 ( 0.888 0.151 0.223) 0.928 3.314 ( 0.999 -4.000 0.398) 4.142 3.568 ( -0.390 4.559 -0.123) 4.578 3.602 ( 0.241 4.418 0.161) 4.427 3.665 ( 2.913 -4.189 0.040) 5.102 3.710 ( 3.132 -5.384 -0.180) 6.231 4.030 ( 1.372 4.393 0.095) 4.603 4.037 ( 1.490 4.136 0.044) 4.396 4.066 ( 3.706 1.296 0.426) 3.949 4.082 ( 3.346 0.654 -0.506) 3.447 4.533 ( -2.287 4.503 -2.003) 5.433 4.554 ( -0.593 4.135 2.063) 4.659 4.637 ( -4.570 -4.944 -0.983) 6.804 4.655 ( -3.411 -5.094 0.840) 6.188 5.280 ( 1.893 4.937 -0.229) 5.292 5.286 ( 2.235 5.319 0.203) 5.773 5.384 ( 0.307 -4.784 -0.384) 4.809 5.395 ( 0.915 -4.742 0.451) 4.851 5.551 ( -1.218 3.711 -0.990) 4.029 5.585 ( -0.476 2.462 0.844) 2.646 5.617 ( 1.075 -2.204 0.059) 2.452 5.632 ( 0.915 -1.752 0.167) 1.984 6.116 ( -10.647 5.935 0.734) 12.212 6.132 ( -11.219 6.265 0.022) 12.850 6.242 ( -7.178 -4.046 1.003) 8.301 6.279 ( -7.125 -5.921 -2.484) 9.591 6.674 ( -1.575 2.979 0.294) 3.383 6.717 ( -0.654 0.657 -0.328) 0.984 6.730 ( -3.437 -3.041 1.341) 4.781 6.813 ( -0.641 -6.932 -0.740) 7.001 7.409 ( 5.356 1.002 -0.549) 5.476 7.443 ( 5.484 -0.003 0.368) 5.496 7.446 ( 6.074 -1.969 -0.137) 6.387 7.473 ( 6.687 -2.306 0.320) 7.081 10.616 ( -0.686 0.065 -0.062) 0.691 10.619 ( -0.549 0.054 -0.022) 0.552 10.637 ( -0.255 -1.546 -0.027) 1.568 10.642 ( -0.057 -1.759 0.082) 1.762 11.187 ( -1.491 2.572 0.517) 3.017 11.206 ( -1.107 1.713 -0.695) 2.155 11.244 ( -1.571 -0.429 0.960) 1.890 11.259 ( -1.347 -0.997 -0.740) 1.832 11.546 ( -0.664 3.207 0.014) 3.275 11.557 ( -0.423 2.152 -0.199) 2.202 11.588 ( -2.197 2.294 0.028) 3.177 11.629 ( -1.400 -1.208 0.241) 1.865 11.793 ( 2.782 0.380 -0.862) 2.937 11.808 ( 3.550 -1.111 1.143) 3.891 11.856 ( 2.056 0.150 -0.844) 2.227 11.908 ( 3.552 -3.978 0.452) 5.352 ======================= Grid point 89 (47/52) ======================= q-point: ( 0.25 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -0.385 5.252 -0.875) 5.339 0.958 ( -1.415 2.038 -0.077) 2.482 0.995 ( -3.142 -1.299 0.521) 3.440 1.012 ( -2.032 -0.498 -0.569) 2.168 1.094 ( 4.959 10.445 1.497) 11.658 1.118 ( 3.008 4.335 -0.751) 5.329 1.249 ( 2.297 -5.517 0.382) 5.989 1.288 ( 3.346 -3.049 -0.002) 4.527 1.373 ( 1.716 2.417 0.258) 2.976 1.400 ( 0.454 5.096 -1.616) 5.366 1.456 ( 3.576 -0.724 0.503) 3.683 1.481 ( 0.657 -3.239 0.353) 3.324 1.524 ( 3.044 2.578 0.206) 3.994 1.571 ( 1.485 1.885 0.604) 2.475 1.619 ( 4.366 -1.150 0.189) 4.519 1.665 ( 2.276 -1.911 -0.372) 2.995 1.695 ( -1.106 2.971 -0.414) 3.197 1.743 ( -0.656 -0.516 0.562) 1.006 1.825 ( 0.628 2.490 -0.073) 2.569 1.870 ( 1.162 -0.766 -1.783) 2.262 1.937 ( 5.834 3.843 2.360) 7.374 1.956 ( 4.842 1.711 -0.922) 5.217 2.065 ( 5.783 0.034 -0.463) 5.802 2.094 ( 4.086 -2.348 0.473) 4.736 2.686 ( -0.798 3.578 -0.289) 3.677 2.699 ( -1.578 3.773 0.430) 4.112 2.771 ( -1.864 -2.228 -1.002) 3.073 2.781 ( -1.479 -2.574 0.755) 3.063 2.939 ( -0.462 2.399 0.312) 2.463 2.956 ( -0.769 1.734 0.083) 1.898 2.982 ( -0.899 0.012 -0.514) 1.035 3.013 ( -2.660 -1.900 0.133) 3.271 3.213 ( -2.149 0.815 0.094) 2.300 3.221 ( -2.066 -0.909 -0.277) 2.274 3.260 ( -1.436 -1.994 0.038) 2.457 3.291 ( -3.273 -3.596 0.070) 4.863 3.563 ( -0.325 6.134 -0.008) 6.142 3.602 ( -0.417 5.011 0.142) 5.031 3.701 ( 0.093 -5.900 0.359) 5.911 3.729 ( -0.863 -6.209 -0.306) 6.276 4.051 ( 0.222 7.174 -0.383) 7.188 4.060 ( 0.188 6.781 0.342) 6.793 4.137 ( 2.179 -0.779 -0.349) 2.340 4.141 ( 2.741 -0.765 0.154) 2.850 4.478 ( -2.490 2.281 -0.668) 3.442 4.528 ( -4.503 -1.698 0.410) 4.830 4.534 ( -3.722 0.625 -0.333) 3.788 4.579 ( -4.664 -2.827 0.599) 5.487 5.303 ( 0.769 3.675 -0.123) 3.756 5.308 ( 0.635 3.592 0.124) 3.650 5.387 ( 0.043 -4.276 0.010) 4.276 5.400 ( -0.317 -4.628 0.013) 4.639 5.566 ( 2.325 4.730 0.079) 5.271 5.596 ( 1.219 4.488 -0.100) 4.651 5.632 ( 0.971 -0.954 -1.122) 1.764 5.665 ( 1.561 -1.661 0.901) 2.451 5.944 ( -6.906 6.530 0.382) 9.512 5.954 ( -6.694 6.403 -0.071) 9.263 6.110 ( -5.737 -7.584 1.153) 9.579 6.126 ( -5.663 -8.702 -1.289) 10.462 6.638 ( -2.060 3.954 -0.576) 4.496 6.671 ( -2.971 -0.664 0.382) 3.068 6.685 ( -2.014 -2.951 1.258) 3.787 6.773 ( -2.726 -7.351 -0.971) 7.901 7.504 ( 3.797 0.782 -0.221) 3.883 7.530 ( 3.030 -0.230 0.102) 3.040 7.551 ( 3.743 -1.984 -0.216) 4.242 7.576 ( 3.026 -3.037 0.354) 4.302 10.600 ( -0.880 0.543 -0.032) 1.034 10.605 ( -0.837 0.484 -0.005) 0.967 10.631 ( -0.405 -1.952 0.086) 1.995 10.637 ( -0.398 -2.154 -0.091) 2.192 11.162 ( -1.146 2.498 -0.006) 2.749 11.181 ( -1.017 1.790 0.107) 2.062 11.215 ( -1.577 -0.655 -0.238) 1.725 11.230 ( -1.224 -0.937 0.154) 1.549 11.524 ( -1.473 3.049 -0.066) 3.387 11.538 ( -1.479 2.330 0.179) 2.766 11.546 ( -1.828 3.257 -0.316) 3.748 11.588 ( -2.499 0.141 0.243) 2.515 11.855 ( 3.759 2.062 -0.288) 4.297 11.893 ( 3.833 0.074 1.042) 3.973 11.911 ( 4.190 -2.313 -1.114) 4.914 11.987 ( 4.027 -6.174 0.347) 7.379 ======================= Grid point 90 (48/52) ======================= q-point: ( 0.38 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.890 1.165 -0.021) 1.466 0.932 ( -0.941 -0.104 -0.609) 1.125 0.946 ( -1.655 0.564 -0.226) 1.763 0.972 ( -1.711 -0.624 0.505) 1.890 1.199 ( 5.242 5.720 1.496) 7.901 1.226 ( 7.349 6.507 -1.168) 9.885 1.301 ( 1.436 -2.698 1.416) 3.368 1.343 ( 3.337 -2.212 -0.941) 4.113 1.399 ( 0.822 1.919 -1.448) 2.541 1.412 ( 2.129 4.627 1.369) 5.274 1.472 ( -0.870 -1.369 -0.663) 1.752 1.491 ( 0.975 -2.862 -0.069) 3.025 1.549 ( -3.488 3.761 -0.515) 5.155 1.573 ( 0.442 2.140 0.755) 2.312 1.654 ( -0.249 1.038 -0.747) 1.303 1.657 ( -1.789 1.188 -0.462) 2.197 1.697 ( 0.162 -0.527 0.757) 0.937 1.719 ( -1.869 -2.192 1.885) 3.442 1.822 ( -0.122 0.774 -0.800) 1.120 1.836 ( -1.266 -0.398 -1.551) 2.041 2.050 ( 3.922 4.904 1.358) 6.425 2.089 ( 5.456 2.254 -0.368) 5.915 2.142 ( 1.651 -0.424 0.584) 1.801 2.162 ( 2.985 -1.277 -0.720) 3.326 2.709 ( 0.834 4.144 0.080) 4.228 2.714 ( 2.117 3.285 -0.279) 3.918 2.762 ( 1.223 -0.630 -0.204) 1.390 2.779 ( 0.846 -1.583 0.381) 1.835 2.948 ( 1.233 1.748 0.227) 2.151 2.955 ( 1.558 1.759 -0.365) 2.378 2.987 ( 0.088 -0.318 -0.144) 0.360 2.988 ( 1.016 0.241 0.312) 1.090 3.161 ( -4.212 -0.600 0.238) 4.262 3.182 ( -2.951 -2.169 0.430) 3.688 3.210 ( -2.504 -2.605 -0.428) 3.638 3.218 ( -2.189 -3.660 -0.211) 4.269 3.567 ( 0.792 4.195 0.421) 4.290 3.595 ( 0.131 2.901 -0.419) 2.934 3.680 ( -1.852 -5.529 0.422) 5.846 3.689 ( -2.348 -5.083 -0.505) 5.622 4.039 ( -0.566 9.174 -0.289) 9.196 4.051 ( -0.809 8.747 0.282) 8.789 4.155 ( 0.231 -1.364 0.002) 1.384 4.166 ( 0.178 -1.752 -0.024) 1.761 4.422 ( -3.069 0.022 0.268) 3.081 4.438 ( -3.860 -2.010 0.392) 4.370 4.464 ( -3.640 -0.268 -0.143) 3.653 4.492 ( -4.450 -2.594 -0.414) 5.168 5.331 ( 2.334 2.174 -0.058) 3.189 5.339 ( 2.281 1.472 0.156) 2.719 5.388 ( 0.147 -3.462 -0.013) 3.465 5.393 ( -0.333 -3.782 0.028) 3.797 5.598 ( 0.505 3.626 0.166) 3.665 5.609 ( 0.028 4.033 -0.313) 4.046 5.636 ( -0.057 0.750 -0.162) 0.770 5.674 ( -1.291 -1.353 0.029) 1.870 5.860 ( -1.944 9.582 -0.557) 9.793 5.875 ( -2.227 8.490 0.650) 8.802 6.061 ( -0.622 -8.654 0.803) 8.713 6.070 ( -0.236 -9.621 -0.774) 9.655 6.607 ( -0.562 3.362 -0.343) 3.426 6.630 ( -0.957 0.146 -0.200) 0.989 6.669 ( -1.016 -3.891 1.856) 4.429 6.715 ( -2.113 -6.572 -1.283) 7.021 7.546 ( 1.150 -0.481 -0.076) 1.249 7.558 ( 0.189 -0.688 0.291) 0.771 7.580 ( -0.049 -2.615 -0.611) 2.686 7.592 ( -0.971 -2.994 0.419) 3.175 10.586 ( -0.599 0.996 0.060) 1.164 10.590 ( -0.636 0.875 -0.069) 1.084 10.624 ( -0.354 -2.335 0.146) 2.366 10.628 ( -0.331 -2.476 -0.144) 2.502 11.147 ( -0.384 2.385 -0.057) 2.416 11.172 ( -0.321 2.332 0.376) 2.384 11.186 ( -0.947 -0.900 -0.453) 1.382 11.213 ( -0.785 -1.042 0.126) 1.311 11.499 ( -0.882 3.001 -0.080) 3.129 11.509 ( -1.308 3.713 0.056) 3.938 11.521 ( -0.746 1.517 0.083) 1.693 11.548 ( -1.689 0.784 -0.010) 1.862 11.918 ( 2.572 2.877 0.144) 3.862 11.949 ( 2.104 1.453 -0.902) 2.711 11.990 ( 3.223 -3.970 1.187) 5.250 12.051 ( 2.348 -6.700 -0.454) 7.114 ======================= Grid point 91 (49/52) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.169 0.694 -0.144) 0.728 0.910 ( -0.692 -0.029 -0.468) 0.836 0.948 ( -0.223 -0.277 0.576) 0.677 0.954 ( 0.781 -0.922 -0.042) 1.209 1.277 ( -2.519 3.450 1.369) 4.486 1.295 ( 2.027 1.019 0.253) 2.283 1.349 ( 4.088 3.005 -0.217) 5.078 1.372 ( -2.883 0.613 -1.233) 3.195 1.409 ( 1.012 1.935 -0.118) 2.187 1.419 ( -3.233 3.335 -0.948) 4.741 1.479 ( 0.972 -1.297 1.456) 2.179 1.492 ( 2.801 3.361 0.647) 4.423 1.526 ( -0.263 1.348 0.704) 1.544 1.544 ( -2.249 -2.033 -1.397) 3.338 1.610 ( -0.278 1.565 0.205) 1.603 1.633 ( -0.202 -0.401 -1.906) 1.958 1.707 ( 0.573 0.230 1.381) 1.513 1.717 ( 0.280 -0.475 0.873) 1.032 1.814 ( -0.112 0.719 -0.656) 0.980 1.819 ( -0.121 0.252 -1.041) 1.077 2.100 ( 0.422 4.429 1.371) 4.655 2.124 ( -0.282 3.300 -1.068) 3.480 2.166 ( -0.097 -1.358 0.948) 1.660 2.184 ( -0.024 -1.530 -0.826) 1.739 2.716 ( 0.349 3.834 0.179) 3.854 2.720 ( -0.362 4.124 -0.224) 4.146 2.787 ( 0.236 -2.815 0.508) 2.870 2.796 ( -0.207 -2.947 -0.376) 2.978 2.981 ( 0.084 2.187 0.083) 2.190 2.985 ( -0.170 2.359 -0.243) 2.378 3.000 ( -0.056 1.262 0.228) 1.283 3.003 ( 0.090 1.132 -0.086) 1.139 3.092 ( 0.376 2.041 1.072) 2.336 3.113 ( -0.202 1.745 -1.014) 2.028 3.198 ( -0.268 -6.550 0.470) 6.572 3.207 ( 0.154 -6.343 -0.357) 6.355 3.585 ( 0.161 1.749 0.464) 1.817 3.596 ( -0.132 1.457 -0.637) 1.595 3.655 ( -0.611 -3.507 0.488) 3.593 3.666 ( 0.532 -3.645 -0.511) 3.719 4.040 ( 0.474 9.402 0.046) 9.414 4.040 ( -0.433 9.103 -0.020) 9.114 4.158 ( 0.217 -1.371 0.290) 1.418 4.163 ( -0.151 -1.494 -0.202) 1.516 4.401 ( 0.181 -2.375 0.850) 2.529 4.402 ( 0.604 -1.563 1.047) 1.975 4.420 ( -0.713 -2.337 -0.823) 2.578 4.425 ( -0.093 -1.949 -1.021) 2.202 5.366 ( 0.149 0.604 0.266) 0.676 5.372 ( -0.256 0.370 -0.266) 0.522 5.385 ( -0.016 -2.236 0.177) 2.243 5.388 ( 0.128 -2.190 -0.075) 2.195 5.600 ( 0.255 2.722 0.318) 2.753 5.609 ( -0.214 2.907 -0.552) 2.967 5.634 ( 0.518 0.230 0.649) 0.862 5.645 ( -0.412 0.160 -0.474) 0.648 5.849 ( 0.353 11.413 0.181) 11.420 5.854 ( -0.521 10.169 -0.303) 10.187 6.057 ( -0.825 -8.835 0.868) 8.915 6.075 ( 0.824 -9.987 -0.942) 10.065 6.610 ( 0.448 2.152 0.393) 2.233 6.619 ( -0.555 0.507 -0.551) 0.932 6.665 ( -0.365 -3.982 1.337) 4.217 6.690 ( 0.474 -5.276 -1.071) 5.405 7.559 ( 0.097 -1.789 0.179) 1.800 7.560 ( -0.518 -2.012 0.151) 2.083 7.571 ( 0.969 -1.982 -0.053) 2.207 7.573 ( -0.552 -2.187 -0.252) 2.270 10.580 ( 0.016 1.105 0.114) 1.111 10.583 ( -0.009 1.085 -0.125) 1.092 10.621 ( -0.026 -2.489 0.174) 2.495 10.624 ( 0.028 -2.582 -0.163) 2.587 11.148 ( 0.303 2.224 0.409) 2.282 11.158 ( -0.524 2.095 -0.618) 2.246 11.189 ( 0.597 -0.633 0.657) 1.091 11.200 ( -0.386 -0.833 -0.457) 1.025 11.493 ( 0.206 3.149 0.018) 3.156 11.494 ( -0.192 3.446 -0.083) 3.452 11.519 ( 0.194 1.287 0.473) 1.384 11.527 ( -0.207 0.963 -0.360) 1.049 11.947 ( 0.096 3.151 0.501) 3.192 11.961 ( -0.206 1.817 -0.980) 2.074 12.036 ( 0.514 -4.732 1.649) 5.038 12.064 ( -0.402 -6.345 -1.204) 6.470 ======================= Grid point 92 (50/52) ======================= q-point: (-0.38 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -0.239 0.952 -0.156) 0.994 0.922 ( 1.465 -0.861 0.205) 1.712 0.938 ( -0.055 2.543 0.154) 2.548 0.985 ( 1.812 -1.700 -0.343) 2.508 1.201 ( -5.600 5.607 1.276) 8.027 1.231 ( -6.803 6.811 -1.404) 9.728 1.303 ( -1.183 -2.902 1.194) 3.354 1.358 ( -3.990 -4.270 -1.999) 6.176 1.378 ( -1.110 3.754 0.486) 3.944 1.436 ( -0.571 3.797 0.071) 3.840 1.461 ( -0.713 2.492 -0.647) 2.672 1.480 ( -0.205 -2.989 0.576) 3.051 1.549 ( 0.673 0.637 0.452) 1.031 1.564 ( 1.701 0.767 0.403) 1.909 1.638 ( 0.807 1.502 0.421) 1.756 1.658 ( 2.521 0.317 -0.167) 2.546 1.718 ( 0.439 1.255 -0.688) 1.497 1.746 ( 1.794 -1.218 0.387) 2.203 1.809 ( -0.088 0.504 -0.685) 0.856 1.811 ( -0.078 -0.043 0.344) 0.356 2.069 ( -4.805 4.654 0.650) 6.721 2.094 ( -2.257 2.414 -1.504) 3.631 2.136 ( -4.093 -0.566 1.608) 4.434 2.155 ( -2.207 -1.642 -0.611) 2.818 2.707 ( -1.870 4.097 0.112) 4.505 2.716 ( -0.727 3.631 -0.297) 3.715 2.758 ( -2.274 -0.831 0.101) 2.423 2.783 ( -0.233 -1.802 0.077) 1.818 2.948 ( -1.653 1.757 0.161) 2.418 2.958 ( -0.926 1.586 -0.633) 1.942 2.979 ( -0.673 0.412 0.559) 0.967 2.995 ( -0.598 -0.184 -0.129) 0.639 3.168 ( 4.693 -0.508 -0.185) 4.724 3.193 ( 1.149 -3.602 -0.328) 3.795 3.196 ( 4.931 -1.082 0.496) 5.073 3.214 ( 0.943 -3.789 0.019) 3.904 3.575 ( -0.861 3.446 0.133) 3.554 3.586 ( -0.026 3.574 -0.074) 3.575 3.675 ( 2.049 -5.349 0.451) 5.746 3.692 ( 2.159 -5.306 -0.422) 5.744 4.038 ( 0.558 9.241 -0.179) 9.260 4.053 ( 0.820 8.780 0.101) 8.819 4.158 ( -0.356 -1.259 -0.263) 1.334 4.164 ( -0.074 -1.948 0.149) 1.955 4.432 ( 2.990 -0.353 -0.516) 3.055 4.449 ( 4.300 -0.618 -0.111) 4.346 4.456 ( 3.169 -1.486 0.358) 3.518 4.481 ( 4.590 -2.353 0.321) 5.168 5.332 ( -2.526 1.762 -0.112) 3.082 5.339 ( -2.049 1.808 0.171) 2.738 5.388 ( -0.054 -3.602 -0.013) 3.602 5.393 ( 0.212 -3.589 -0.026) 3.595 5.602 ( -0.489 4.389 0.278) 4.425 5.603 ( -0.071 3.643 -0.291) 3.655 5.645 ( -0.119 0.105 -0.967) 0.980 5.668 ( 1.368 -1.466 0.656) 2.109 5.852 ( 1.460 9.193 0.124) 9.309 5.879 ( 2.819 9.285 0.176) 9.705 6.043 ( -0.612 -8.438 0.851) 8.503 6.089 ( 1.657 -9.855 -0.869) 10.031 6.605 ( 0.116 1.784 -0.270) 1.808 6.624 ( 0.939 2.265 0.344) 2.476 6.682 ( 1.327 -5.308 1.527) 5.681 6.709 ( 2.095 -5.723 -1.554) 6.289 7.546 ( -0.900 -0.446 -0.027) 1.005 7.564 ( -0.382 -0.448 0.071) 0.593 7.570 ( 0.047 -2.534 -0.049) 2.535 7.597 ( 0.918 -3.333 0.017) 3.458 10.587 ( 0.582 0.980 0.002) 1.140 10.589 ( 0.679 0.934 -0.024) 1.155 10.625 ( 0.313 -2.384 0.175) 2.411 10.627 ( 0.356 -2.472 -0.177) 2.504 11.148 ( 0.075 2.363 -0.130) 2.368 11.168 ( 1.161 2.069 0.484) 2.421 11.189 ( 0.005 -0.620 -0.536) 0.819 11.212 ( 1.181 -1.052 0.198) 1.593 11.501 ( 0.992 3.213 -0.198) 3.368 11.507 ( 1.171 3.665 0.200) 3.853 11.525 ( 0.691 1.393 -0.197) 1.567 11.545 ( 1.757 0.749 0.216) 1.922 11.923 ( -2.755 2.274 -0.119) 3.574 11.934 ( -2.156 2.359 0.175) 3.201 12.018 ( -3.232 -5.363 -1.006) 6.342 12.033 ( -2.074 -5.599 0.931) 6.043 ======================= Grid point 93 (51/52) ======================= q-point: (-0.25 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.239 5.065 -0.828) 5.138 0.941 ( 0.806 3.759 1.191) 4.025 0.982 ( 3.186 -1.405 0.850) 3.584 1.017 ( 1.726 -0.334 -0.451) 1.815 1.101 ( -4.035 6.405 0.530) 7.589 1.136 ( -2.871 6.465 -1.391) 7.209 1.262 ( -3.826 -5.999 -0.617) 7.142 1.284 ( -1.769 -4.402 0.347) 4.757 1.363 ( -1.136 5.330 0.875) 5.519 1.391 ( -2.009 4.434 -0.987) 4.967 1.452 ( -1.972 -0.061 0.682) 2.087 1.485 ( -0.308 -4.243 0.065) 4.255 1.522 ( -3.762 3.365 0.266) 5.054 1.582 ( -1.050 -0.816 -0.135) 1.337 1.607 ( -3.560 1.617 0.972) 4.029 1.671 ( -1.744 -2.038 -0.695) 2.771 1.711 ( -0.560 3.287 -1.731) 3.757 1.767 ( 0.493 -0.869 -0.488) 1.112 1.799 ( -1.924 2.150 0.272) 2.898 1.821 ( -1.007 -0.197 2.795) 2.977 1.954 ( -4.437 3.898 -0.316) 5.915 1.997 ( -5.214 -0.201 -2.639) 5.847 2.049 ( -5.252 1.450 1.002) 5.540 2.092 ( -4.295 -2.561 0.552) 5.031 2.682 ( 0.914 3.737 0.007) 3.847 2.707 ( 1.768 3.951 -0.128) 4.330 2.754 ( 1.494 -1.775 0.396) 2.353 2.792 ( 1.503 -3.398 -0.282) 3.726 2.939 ( 0.496 2.200 0.259) 2.270 2.965 ( 0.309 2.760 -0.324) 2.796 2.972 ( 1.630 -1.086 -0.011) 1.959 3.014 ( 2.313 -1.455 0.071) 2.733 3.217 ( 1.850 -0.115 -0.102) 1.856 3.226 ( 2.250 -0.135 -0.860) 2.413 3.255 ( 1.871 -2.217 0.487) 2.942 3.284 ( 2.823 -3.350 0.597) 4.421 3.567 ( -0.025 6.041 -0.257) 6.046 3.600 ( 0.770 5.117 0.268) 5.182 3.704 ( 0.089 -6.177 0.256) 6.183 3.726 ( 0.827 -6.018 -0.180) 6.078 4.047 ( -0.172 7.248 -0.057) 7.250 4.063 ( -0.226 6.944 0.033) 6.948 4.132 ( -2.572 -0.830 0.014) 2.703 4.144 ( -2.443 -0.992 -0.122) 2.639 4.480 ( 1.876 2.021 -0.873) 2.893 4.522 ( 3.817 -0.272 0.577) 3.870 4.538 ( 4.320 -0.481 -0.285) 4.356 4.580 ( 5.313 -2.822 0.511) 6.038 5.301 ( -0.549 3.782 0.057) 3.822 5.312 ( -0.878 3.472 -0.127) 3.584 5.388 ( 0.061 -4.378 -0.119) 4.380 5.399 ( 0.176 -4.469 0.124) 4.474 5.575 ( -2.455 3.988 -0.779) 4.747 5.587 ( -1.091 5.071 0.721) 5.237 5.621 ( -1.436 -0.258 -0.198) 1.472 5.670 ( -1.026 -2.445 0.325) 2.671 5.934 ( 6.988 6.131 0.615) 9.317 5.965 ( 6.276 6.718 -0.294) 9.199 6.087 ( 5.459 -6.731 0.990) 8.722 6.156 ( 6.466 -9.483 -1.585) 11.587 6.628 ( 2.083 3.920 0.338) 4.452 6.663 ( 2.775 0.779 0.406) 2.911 6.719 ( 1.636 -4.441 -0.224) 4.738 6.754 ( 3.133 -7.100 -0.230) 7.763 7.505 ( -3.647 0.631 -0.341) 3.717 7.533 ( -3.255 0.285 -0.122) 3.270 7.544 ( -3.383 -2.089 0.333) 3.990 7.579 ( -3.293 -3.299 0.112) 4.662 10.601 ( 0.827 0.667 -0.070) 1.065 10.605 ( 0.911 0.458 0.008) 1.020 10.633 ( 0.360 -2.058 -0.158) 2.096 10.634 ( 0.407 -2.147 0.187) 2.193 11.159 ( 1.020 2.513 0.208) 2.720 11.191 ( 0.953 1.775 -0.701) 2.133 11.202 ( 1.533 -0.367 0.788) 1.763 11.237 ( 1.444 -1.246 -0.252) 1.923 11.526 ( 1.605 2.786 -0.252) 3.224 11.538 ( 1.819 4.077 0.436) 4.485 11.544 ( 1.274 1.839 -0.378) 2.269 11.589 ( 2.535 0.058 0.218) 2.545 11.853 ( -4.038 1.314 -0.188) 4.251 11.883 ( -3.230 1.915 0.871) 3.855 11.928 ( -4.814 -3.974 -1.552) 6.432 11.982 ( -3.644 -5.584 0.812) 6.717 ======================= Grid point 94 (52/52) ======================= q-point: (-0.12 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 1.509 9.845 0.610) 9.979 0.961 ( -0.375 4.434 1.774) 4.791 1.013 ( -1.216 5.887 -0.004) 6.012 1.051 ( 2.085 -1.088 0.187) 2.359 1.072 ( 0.821 3.650 -0.738) 3.813 1.101 ( -0.101 2.009 -1.540) 2.533 1.204 ( -2.042 -5.852 0.713) 6.239 1.242 ( -2.312 0.863 -1.166) 2.730 1.305 ( -6.348 1.415 1.623) 6.703 1.332 ( -6.541 2.714 -1.403) 7.219 1.369 ( -1.627 2.893 1.002) 3.467 1.455 ( -3.591 -4.533 -0.376) 5.795 1.475 ( -1.238 0.152 -0.164) 1.258 1.518 ( -4.117 -2.972 0.267) 5.085 1.549 ( -1.495 -0.138 -0.340) 1.539 1.596 ( -3.577 -0.030 -0.167) 3.581 1.664 ( -2.902 4.789 0.084) 5.601 1.742 ( -3.454 0.263 -0.451) 3.493 1.786 ( 0.669 2.767 2.409) 3.729 1.805 ( 1.237 1.099 -1.347) 2.134 1.935 ( -1.081 1.127 -0.852) 1.779 1.939 ( 0.072 2.384 0.289) 2.403 1.980 ( -0.787 -1.699 -0.906) 2.080 2.019 ( -2.939 -3.664 0.604) 4.736 2.746 ( 4.616 2.672 0.144) 5.335 2.775 ( 4.382 2.246 -0.928) 5.011 2.825 ( 4.953 -2.282 1.523) 5.662 2.853 ( 4.657 -3.169 -0.684) 5.674 2.964 ( 1.855 3.566 -0.073) 4.020 2.983 ( 1.321 4.368 0.462) 4.587 3.010 ( 2.158 -0.206 -0.580) 2.244 3.059 ( 1.888 -2.365 0.268) 3.038 3.237 ( 0.191 0.124 -0.040) 0.231 3.251 ( -0.058 -1.239 -0.455) 1.322 3.257 ( -1.533 -0.659 -0.373) 1.710 3.305 ( -1.241 -3.765 1.211) 4.145 3.569 ( 0.496 4.789 -0.183) 4.818 3.601 ( -0.395 4.056 0.226) 4.081 3.673 ( -3.051 -4.434 -0.534) 5.409 3.703 ( -3.099 -4.927 0.319) 5.829 4.028 ( -1.247 4.588 0.185) 4.758 4.042 ( -1.519 4.157 -0.238) 4.432 4.068 ( -3.528 0.895 0.652) 3.698 4.078 ( -3.449 0.737 -0.504) 3.562 4.506 ( 1.271 4.579 0.531) 4.781 4.581 ( 1.607 4.309 -0.471) 4.623 4.617 ( 4.029 -5.765 0.472) 7.049 4.673 ( 3.911 -4.455 -0.545) 5.954 5.278 ( -2.201 4.813 -0.091) 5.293 5.289 ( -1.849 5.470 -0.029) 5.774 5.380 ( -0.748 -4.654 0.011) 4.714 5.399 ( -0.410 -4.873 0.037) 4.890 5.540 ( 0.076 3.295 -0.054) 3.297 5.589 ( 0.923 1.767 0.334) 2.022 5.604 ( -0.292 -0.959 0.598) 1.167 5.649 ( -1.124 -2.075 -0.585) 2.431 6.121 ( 10.837 5.723 0.963) 12.293 6.125 ( 10.474 6.714 -0.053) 12.442 6.236 ( 7.513 -3.284 0.683) 8.228 6.290 ( 7.410 -7.030 -2.453) 10.504 6.676 ( 2.153 4.102 0.226) 4.638 6.711 ( 1.282 0.327 0.069) 1.325 6.749 ( 1.767 -3.309 0.300) 3.763 6.799 ( 1.105 -7.275 -0.098) 7.359 7.406 ( -5.502 1.004 -0.292) 5.601 7.443 ( -5.389 -1.330 0.002) 5.551 7.447 ( -6.049 -0.681 0.181) 6.090 7.476 ( -6.714 -2.289 0.099) 7.095 10.615 ( 0.656 0.121 0.006) 0.667 10.620 ( 0.588 0.013 -0.068) 0.592 10.637 ( 0.118 -1.576 -0.039) 1.581 10.641 ( 0.190 -1.738 0.117) 1.752 11.185 ( 1.323 2.534 0.535) 2.908 11.208 ( 1.254 1.565 -0.765) 2.146 11.239 ( 1.424 -0.111 0.953) 1.717 11.263 ( 1.492 -1.142 -0.665) 1.993 11.547 ( 0.610 2.940 -0.059) 3.003 11.559 ( 0.504 2.156 -0.386) 2.248 11.582 ( 2.208 2.740 0.460) 3.549 11.631 ( 1.277 -1.342 0.089) 1.855 11.783 ( -2.879 0.338 0.133) 2.902 11.822 ( -4.007 -2.863 0.037) 4.925 11.848 ( -1.419 1.848 -0.418) 2.367 11.914 ( -3.526 -3.963 0.038) 5.305 =================== 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 3/14112 10.0 6.510 12.456 8.700 0.000 1.338 0.000 3/14112 20.0 2.245 4.657 2.023 0.000 0.275 0.000 3/14112 30.0 1.372 2.716 1.073 0.000 0.126 0.000 3/14112 40.0 0.997 1.895 0.725 0.000 0.077 0.000 3/14112 50.0 0.792 1.460 0.549 0.000 0.054 0.000 3/14112 60.0 0.662 1.195 0.443 0.000 0.042 0.000 3/14112 70.0 0.572 1.016 0.373 0.000 0.034 0.000 3/14112 80.0 0.506 0.887 0.323 0.000 0.029 0.000 3/14112 90.0 0.455 0.790 0.285 0.000 0.025 0.000 3/14112 100.0 0.414 0.714 0.256 0.000 0.022 0.000 3/14112 110.0 0.381 0.652 0.233 0.000 0.020 0.000 3/14112 120.0 0.353 0.601 0.214 0.000 0.018 0.000 3/14112 130.0 0.329 0.559 0.198 0.000 0.016 0.000 3/14112 140.0 0.309 0.522 0.184 0.000 0.015 0.000 3/14112 150.0 0.291 0.490 0.173 0.000 0.014 0.000 3/14112 160.0 0.275 0.462 0.162 0.000 0.013 0.000 3/14112 170.0 0.261 0.438 0.153 0.000 0.012 0.000 3/14112 180.0 0.249 0.416 0.145 0.000 0.012 0.000 3/14112 190.0 0.238 0.396 0.138 0.000 0.011 0.000 3/14112 200.0 0.227 0.378 0.131 0.000 0.010 0.000 3/14112 210.0 0.218 0.362 0.126 0.000 0.010 0.000 3/14112 220.0 0.209 0.347 0.120 0.000 0.010 0.000 3/14112 230.0 0.201 0.333 0.115 0.000 0.009 0.000 3/14112 240.0 0.194 0.321 0.111 0.000 0.009 0.000 3/14112 250.0 0.187 0.309 0.107 0.000 0.008 0.000 3/14112 260.0 0.181 0.298 0.103 0.000 0.008 0.000 3/14112 270.0 0.175 0.288 0.099 0.000 0.008 0.000 3/14112 280.0 0.169 0.279 0.096 0.000 0.008 0.000 3/14112 290.0 0.164 0.270 0.093 0.000 0.007 0.000 3/14112 300.0 0.159 0.262 0.090 0.000 0.007 0.000 3/14112 310.0 0.154 0.254 0.087 0.000 0.007 0.000 3/14112 320.0 0.150 0.247 0.084 0.000 0.007 0.000 3/14112 330.0 0.146 0.240 0.082 0.000 0.006 0.000 3/14112 340.0 0.142 0.234 0.080 0.000 0.006 0.000 3/14112 350.0 0.138 0.227 0.077 0.000 0.006 0.000 3/14112 360.0 0.135 0.222 0.075 0.000 0.006 0.000 3/14112 370.0 0.132 0.216 0.073 0.000 0.006 0.000 3/14112 380.0 0.129 0.211 0.072 0.000 0.006 0.000 3/14112 390.0 0.125 0.206 0.070 0.000 0.005 0.000 3/14112 400.0 0.123 0.201 0.068 0.000 0.005 0.000 3/14112 410.0 0.120 0.196 0.067 0.000 0.005 0.000 3/14112 420.0 0.117 0.192 0.065 0.000 0.005 0.000 3/14112 430.0 0.115 0.188 0.064 0.000 0.005 0.000 3/14112 440.0 0.112 0.184 0.062 0.000 0.005 0.000 3/14112 450.0 0.110 0.180 0.061 0.000 0.005 0.000 3/14112 460.0 0.108 0.176 0.060 0.000 0.005 0.000 3/14112 470.0 0.106 0.173 0.058 0.000 0.005 0.000 3/14112 480.0 0.104 0.170 0.057 0.000 0.004 0.000 3/14112 490.0 0.102 0.166 0.056 0.000 0.004 0.000 3/14112 500.0 0.100 0.163 0.055 0.000 0.004 0.000 3/14112 510.0 0.098 0.160 0.054 0.000 0.004 0.000 3/14112 520.0 0.096 0.157 0.053 0.000 0.004 0.000 3/14112 530.0 0.094 0.154 0.052 0.000 0.004 0.000 3/14112 540.0 0.093 0.152 0.051 0.000 0.004 0.000 3/14112 550.0 0.091 0.149 0.050 0.000 0.004 0.000 3/14112 560.0 0.090 0.147 0.049 0.000 0.004 0.000 3/14112 570.0 0.088 0.144 0.048 0.000 0.004 0.000 3/14112 580.0 0.087 0.142 0.048 0.000 0.004 0.000 3/14112 590.0 0.085 0.140 0.047 0.000 0.004 0.000 3/14112 600.0 0.084 0.137 0.046 0.000 0.004 0.000 3/14112 610.0 0.083 0.135 0.045 0.000 0.004 0.000 3/14112 620.0 0.082 0.133 0.045 0.000 0.003 0.000 3/14112 630.0 0.080 0.131 0.044 0.000 0.003 0.000 3/14112 640.0 0.079 0.129 0.043 0.000 0.003 0.000 3/14112 650.0 0.078 0.127 0.043 0.000 0.003 0.000 3/14112 660.0 0.077 0.125 0.042 0.000 0.003 0.000 3/14112 670.0 0.076 0.124 0.041 0.000 0.003 0.000 3/14112 680.0 0.075 0.122 0.041 0.000 0.003 0.000 3/14112 690.0 0.074 0.120 0.040 0.000 0.003 0.000 3/14112 700.0 0.073 0.119 0.040 0.000 0.003 0.000 3/14112 710.0 0.072 0.117 0.039 0.000 0.003 0.000 3/14112 720.0 0.071 0.115 0.039 0.000 0.003 0.000 3/14112 730.0 0.070 0.114 0.038 0.000 0.003 0.000 3/14112 740.0 0.069 0.112 0.038 0.000 0.003 0.000 3/14112 750.0 0.068 0.111 0.037 0.000 0.003 0.000 3/14112 760.0 0.067 0.110 0.037 0.000 0.003 0.000 3/14112 770.0 0.066 0.108 0.036 0.000 0.003 0.000 3/14112 780.0 0.066 0.107 0.036 0.000 0.003 0.000 3/14112 790.0 0.065 0.106 0.035 0.000 0.003 0.000 3/14112 800.0 0.064 0.104 0.035 0.000 0.003 0.000 3/14112 810.0 0.063 0.103 0.034 0.000 0.003 0.000 3/14112 820.0 0.063 0.102 0.034 0.000 0.003 0.000 3/14112 830.0 0.062 0.101 0.034 0.000 0.003 0.000 3/14112 840.0 0.061 0.100 0.033 0.000 0.003 0.000 3/14112 850.0 0.060 0.098 0.033 0.000 0.003 0.000 3/14112 860.0 0.060 0.097 0.032 0.000 0.002 0.000 3/14112 870.0 0.059 0.096 0.032 0.000 0.002 0.000 3/14112 880.0 0.058 0.095 0.032 0.000 0.002 0.000 3/14112 890.0 0.058 0.094 0.031 0.000 0.002 0.000 3/14112 900.0 0.057 0.093 0.031 0.000 0.002 0.000 3/14112 910.0 0.057 0.092 0.031 0.000 0.002 0.000 3/14112 920.0 0.056 0.091 0.030 0.000 0.002 0.000 3/14112 930.0 0.055 0.090 0.030 0.000 0.002 0.000 3/14112 940.0 0.055 0.089 0.030 0.000 0.002 0.000 3/14112 950.0 0.054 0.088 0.029 0.000 0.002 0.000 3/14112 960.0 0.054 0.088 0.029 0.000 0.002 0.000 3/14112 970.0 0.053 0.087 0.029 0.000 0.002 0.000 3/14112 980.0 0.053 0.086 0.028 0.000 0.002 0.000 3/14112 990.0 0.052 0.085 0.028 0.000 0.002 0.000 3/14112 1000.0 0.052 0.084 0.028 0.000 0.002 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m873.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:01:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|