----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:37:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.556824570219487 -4.173201575000000 0.000000000000000 b 4.556824570219487 4.173201575000000 0.000000000000000 c -2.595826327399889 0.000000000000000 11.300851052641740 Atomic positions (fractional): *1 As 0.95540970744019 0.53623582300212 0.16539629827208 74.922 2 As 0.46376417699788 0.04459029255981 0.33460370172792 74.922 3 As 0.04459029255981 0.46376417699788 0.83460370172792 74.922 4 As 0.53623582300212 0.95540970744019 0.66539629827208 74.922 *5 As 0.99789341418332 0.91567718565774 0.38173719554197 74.922 6 As 0.08432281434226 0.00210658581668 0.11826280445803 74.922 7 As 0.00210658581668 0.08432281434226 0.61826280445803 74.922 8 As 0.91567718565774 0.99789341418332 0.88173719554197 74.922 *9 Na 0.26455341484287 0.46040089884087 0.53660015837267 22.990 10 Na 0.53959910115913 0.73544658515713 0.96339984162733 22.990 11 Na 0.73544658515713 0.53959910115913 0.46339984162733 22.990 12 Na 0.46040089884087 0.26455341484287 0.03660015837267 22.990 *13 O 0.69257611151512 0.53212842135338 0.11560832884828 15.999 14 O 0.46787157864662 0.30742388848488 0.38439167115172 15.999 15 O 0.30742388848488 0.46787157864662 0.88439167115172 15.999 16 O 0.53212842135338 0.69257611151512 0.61560832884828 15.999 *17 O 0.12531880739884 0.30443800590816 0.14231227240848 15.999 18 O 0.69556199409184 0.87468119260116 0.35768772759152 15.999 19 O 0.87468119260116 0.69556199409184 0.85768772759152 15.999 20 O 0.30443800590816 0.12531880739884 0.64231227240848 15.999 *21 O 0.09902351994838 0.69939102106094 0.10145223020153 15.999 22 O 0.30060897893906 0.90097648005162 0.39854776979847 15.999 23 O 0.90097648005162 0.30060897893906 0.89854776979847 15.999 24 O 0.69939102106094 0.09902351994838 0.60145223020153 15.999 *25 O 0.01353238394630 0.61850427853143 0.31782903986181 15.999 26 O 0.38149572146857 0.98646761605370 0.18217096013819 15.999 27 O 0.98646761605371 0.38149572146857 0.68217096013819 15.999 28 O 0.61850427853143 0.01353238394630 0.81782903986181 15.999 *29 O 0.02274496378572 0.81486981359435 0.52490287454596 15.999 30 O 0.18513018640565 0.97725503621428 0.97509712545404 15.999 31 O 0.97725503621428 0.18513018640565 0.47509712545404 15.999 32 O 0.81486981359435 0.02274496378572 0.02490287454596 15.999 *33 O 0.95692288606599 0.04307711393401 0.25000000000000 15.999 34 O 0.04307711393401 0.95692288606599 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.113649140438973 0.000000000000000 0.000000000000000 b 0.000000000000000 8.346403150000000 0.000000000000000 c -2.595826327399889 0.000000000000000 11.300851052641740 Atomic positions (fractional): *1 As 0.24582276522116 0.29041305778096 0.16539629827208 74.922 > 1 2 As 0.75417723477885 0.29041305778096 0.33460370172792 74.922 > 2 3 As 0.75417723477885 0.70958694221903 0.83460370172792 74.922 > 3 4 As 0.24582276522116 0.70958694221903 0.66539629827208 74.922 > 4 *5 As 0.45678529992053 0.45889188573721 0.38173719554197 74.922 > 5 6 As 0.54321470007947 0.45889188573721 0.11826280445803 74.922 > 6 7 As 0.54321470007947 0.54110811426279 0.61826280445803 74.922 > 7 8 As 0.45678529992053 0.54110811426279 0.88173719554197 74.922 > 8 9 As 0.74582276522115 0.79041305778097 0.16539629827208 74.922 > 1 10 As 0.25417723477885 0.79041305778097 0.33460370172792 74.922 > 2 11 As 0.25417723477885 0.20958694221904 0.83460370172792 74.922 > 3 12 As 0.74582276522115 0.20958694221904 0.66539629827208 74.922 > 4 13 As 0.95678529992053 0.95889188573721 0.38173719554197 74.922 > 5 14 As 0.04321470007947 0.95889188573721 0.11826280445803 74.922 > 6 15 As 0.04321470007947 0.04110811426279 0.61826280445803 74.922 > 7 16 As 0.95678529992053 0.04110811426279 0.88173719554197 74.922 > 8 *17 Na 0.86247715684187 0.59792374199900 0.53660015837267 22.990 > 9 18 Na 0.13752284315813 0.59792374199900 0.96339984162733 22.990 > 10 19 Na 0.13752284315813 0.40207625800100 0.46339984162733 22.990 > 11 20 Na 0.86247715684187 0.40207625800100 0.03660015837267 22.990 > 12 21 Na 0.36247715684187 0.09792374199900 0.53660015837267 22.990 > 9 22 Na 0.63752284315813 0.09792374199900 0.96339984162733 22.990 > 10 23 Na 0.63752284315813 0.90207625800100 0.46339984162733 22.990 > 11 24 Na 0.36247715684187 0.90207625800100 0.03660015837267 22.990 > 12 *25 O 0.11235226643425 0.41977615491913 0.11560832884828 15.999 > 13 26 O 0.88764773356575 0.41977615491913 0.38439167115172 15.999 > 14 27 O 0.88764773356575 0.58022384508087 0.88439167115172 15.999 > 15 28 O 0.11235226643425 0.58022384508087 0.61560832884828 15.999 > 16 *29 O 0.71487840665350 0.58955959925466 0.14231227240848 15.999 > 17 30 O 0.28512159334650 0.58955959925466 0.35768772759152 15.999 > 18 31 O 0.28512159334650 0.41044040074534 0.85768772759152 15.999 > 19 32 O 0.71487840665350 0.41044040074534 0.64231227240848 15.999 > 20 *33 O 0.89920727050466 0.80018375055628 0.10145223020153 15.999 > 21 34 O 0.10079272949534 0.80018375055628 0.39854776979847 15.999 > 22 35 O 0.10079272949534 0.19981624944372 0.89854776979847 15.999 > 23 36 O 0.89920727050466 0.19981624944372 0.60145223020153 15.999 > 24 *37 O 0.81601833123886 0.80248594729257 0.31782903986181 15.999 > 25 38 O 0.18398166876114 0.80248594729257 0.18217096013819 15.999 > 26 39 O 0.18398166876114 0.19751405270743 0.68217096013819 15.999 > 27 40 O 0.81601833123886 0.19751405270743 0.81782903986181 15.999 > 28 *41 O 0.91880738869004 0.89606242490431 0.52490287454596 15.999 > 29 42 O 0.08119261130996 0.89606242490431 0.97509712545404 15.999 > 30 43 O 0.08119261130996 0.10393757509569 0.47509712545404 15.999 > 31 44 O 0.91880738869004 0.10393757509569 0.02490287454596 15.999 > 32 *45 O 0.00000000000000 0.04307711393401 0.25000000000000 15.999 > 33 46 O 0.00000000000000 0.95692288606599 0.75000000000000 15.999 > 34 47 O 0.61235226643425 0.91977615491913 0.11560832884828 15.999 > 13 48 O 0.38764773356575 0.91977615491913 0.38439167115172 15.999 > 14 49 O 0.38764773356575 0.08022384508087 0.88439167115172 15.999 > 15 50 O 0.61235226643425 0.08022384508087 0.61560832884828 15.999 > 16 51 O 0.21487840665350 0.08955959925466 0.14231227240848 15.999 > 17 52 O 0.78512159334650 0.08955959925466 0.35768772759152 15.999 > 18 53 O 0.78512159334650 0.91044040074534 0.85768772759152 15.999 > 19 54 O 0.21487840665350 0.91044040074534 0.64231227240848 15.999 > 20 55 O 0.39920727050466 0.30018375055628 0.10145223020153 15.999 > 21 56 O 0.60079272949534 0.30018375055628 0.39854776979847 15.999 > 22 57 O 0.60079272949534 0.69981624944372 0.89854776979847 15.999 > 23 58 O 0.39920727050466 0.69981624944372 0.60145223020153 15.999 > 24 59 O 0.31601833123886 0.30248594729257 0.31782903986181 15.999 > 25 60 O 0.68398166876114 0.30248594729257 0.18217096013819 15.999 > 26 61 O 0.68398166876114 0.69751405270743 0.68217096013819 15.999 > 27 62 O 0.31601833123886 0.69751405270743 0.81782903986181 15.999 > 28 63 O 0.41880738869004 0.39606242490431 0.52490287454596 15.999 > 29 64 O 0.58119261130996 0.39606242490431 0.97509712545404 15.999 > 30 65 O 0.58119261130996 0.60393757509569 0.47509712545404 15.999 > 31 66 O 0.41880738869004 0.60393757509569 0.02490287454596 15.999 > 32 67 O 0.50000000000000 0.54307711393401 0.25000000000000 15.999 > 33 68 O 0.50000000000000 0.45692288606599 0.75000000000000 15.999 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.113649140438973 0.000000000000000 0.000000000000000 b 0.000000000000000 16.692806300000001 0.000000000000000 c -2.595826327399889 0.000000000000000 11.300851052641740 Atomic positions (fractional): *1 As 0.24582276522116 0.14520652889048 0.16539629827208 74.922 > 1 2 As 0.24582276522116 0.64520652889048 0.16539629827208 74.922 > 1 3 As 0.75417723477885 0.14520652889048 0.33460370172792 74.922 > 2 4 As 0.75417723477885 0.64520652889048 0.33460370172792 74.922 > 2 5 As 0.75417723477885 0.35479347110952 0.83460370172792 74.922 > 3 6 As 0.75417723477885 0.85479347110952 0.83460370172792 74.922 > 3 7 As 0.24582276522116 0.35479347110952 0.66539629827208 74.922 > 4 8 As 0.24582276522116 0.85479347110952 0.66539629827208 74.922 > 4 *9 As 0.45678529992053 0.22944594286860 0.38173719554197 74.922 > 5 10 As 0.45678529992053 0.72944594286860 0.38173719554197 74.922 > 5 11 As 0.54321470007947 0.22944594286860 0.11826280445803 74.922 > 6 12 As 0.54321470007947 0.72944594286860 0.11826280445803 74.922 > 6 13 As 0.54321470007947 0.27055405713140 0.61826280445803 74.922 > 7 14 As 0.54321470007947 0.77055405713140 0.61826280445803 74.922 > 7 15 As 0.45678529992053 0.27055405713140 0.88173719554197 74.922 > 8 16 As 0.45678529992053 0.77055405713140 0.88173719554197 74.922 > 8 17 As 0.74582276522115 0.39520652889048 0.16539629827208 74.922 > 1 18 As 0.74582276522115 0.89520652889048 0.16539629827208 74.922 > 1 19 As 0.25417723477885 0.39520652889048 0.33460370172792 74.922 > 2 20 As 0.25417723477885 0.89520652889048 0.33460370172792 74.922 > 2 21 As 0.25417723477885 0.10479347110952 0.83460370172792 74.922 > 3 22 As 0.25417723477885 0.60479347110952 0.83460370172792 74.922 > 3 23 As 0.74582276522115 0.10479347110952 0.66539629827208 74.922 > 4 24 As 0.74582276522115 0.60479347110952 0.66539629827208 74.922 > 4 25 As 0.95678529992053 0.47944594286860 0.38173719554197 74.922 > 5 26 As 0.95678529992053 0.97944594286860 0.38173719554197 74.922 > 5 27 As 0.04321470007947 0.47944594286860 0.11826280445803 74.922 > 6 28 As 0.04321470007947 0.97944594286860 0.11826280445803 74.922 > 6 29 As 0.04321470007947 0.02055405713140 0.61826280445803 74.922 > 7 30 As 0.04321470007947 0.52055405713140 0.61826280445803 74.922 > 7 31 As 0.95678529992053 0.02055405713140 0.88173719554197 74.922 > 8 32 As 0.95678529992053 0.52055405713140 0.88173719554197 74.922 > 8 *33 Na 0.86247715684187 0.29896187099950 0.53660015837267 22.990 > 9 34 Na 0.86247715684187 0.79896187099950 0.53660015837267 22.990 > 9 35 Na 0.13752284315813 0.29896187099950 0.96339984162733 22.990 > 10 36 Na 0.13752284315813 0.79896187099950 0.96339984162733 22.990 > 10 37 Na 0.13752284315813 0.20103812900050 0.46339984162733 22.990 > 11 38 Na 0.13752284315813 0.70103812900050 0.46339984162733 22.990 > 11 39 Na 0.86247715684187 0.20103812900050 0.03660015837267 22.990 > 12 40 Na 0.86247715684187 0.70103812900050 0.03660015837267 22.990 > 12 41 Na 0.36247715684187 0.04896187099950 0.53660015837267 22.990 > 9 42 Na 0.36247715684187 0.54896187099950 0.53660015837267 22.990 > 9 43 Na 0.63752284315813 0.04896187099950 0.96339984162733 22.990 > 10 44 Na 0.63752284315813 0.54896187099950 0.96339984162733 22.990 > 10 45 Na 0.63752284315813 0.45103812900050 0.46339984162733 22.990 > 11 46 Na 0.63752284315813 0.95103812900050 0.46339984162733 22.990 > 11 47 Na 0.36247715684187 0.45103812900050 0.03660015837267 22.990 > 12 48 Na 0.36247715684187 0.95103812900050 0.03660015837267 22.990 > 12 *49 O 0.11235226643425 0.20988807745957 0.11560832884828 15.999 > 13 50 O 0.11235226643425 0.70988807745957 0.11560832884828 15.999 > 13 51 O 0.88764773356575 0.20988807745957 0.38439167115172 15.999 > 14 52 O 0.88764773356575 0.70988807745957 0.38439167115172 15.999 > 14 53 O 0.88764773356575 0.29011192254043 0.88439167115172 15.999 > 15 54 O 0.88764773356575 0.79011192254043 0.88439167115172 15.999 > 15 55 O 0.11235226643425 0.29011192254043 0.61560832884828 15.999 > 16 56 O 0.11235226643425 0.79011192254043 0.61560832884828 15.999 > 16 *57 O 0.71487840665350 0.29477979962733 0.14231227240848 15.999 > 17 58 O 0.71487840665350 0.79477979962733 0.14231227240848 15.999 > 17 59 O 0.28512159334650 0.29477979962733 0.35768772759152 15.999 > 18 60 O 0.28512159334650 0.79477979962733 0.35768772759152 15.999 > 18 61 O 0.28512159334650 0.20522020037267 0.85768772759152 15.999 > 19 62 O 0.28512159334650 0.70522020037267 0.85768772759152 15.999 > 19 63 O 0.71487840665350 0.20522020037267 0.64231227240848 15.999 > 20 64 O 0.71487840665350 0.70522020037267 0.64231227240848 15.999 > 20 *65 O 0.89920727050466 0.40009187527814 0.10145223020153 15.999 > 21 66 O 0.89920727050466 0.90009187527814 0.10145223020153 15.999 > 21 67 O 0.10079272949534 0.40009187527814 0.39854776979847 15.999 > 22 68 O 0.10079272949534 0.90009187527814 0.39854776979847 15.999 > 22 69 O 0.10079272949534 0.09990812472186 0.89854776979847 15.999 > 23 70 O 0.10079272949534 0.59990812472186 0.89854776979847 15.999 > 23 71 O 0.89920727050466 0.09990812472186 0.60145223020153 15.999 > 24 72 O 0.89920727050466 0.59990812472186 0.60145223020153 15.999 > 24 *73 O 0.81601833123886 0.40124297364628 0.31782903986181 15.999 > 25 74 O 0.81601833123886 0.90124297364628 0.31782903986181 15.999 > 25 75 O 0.18398166876114 0.40124297364628 0.18217096013819 15.999 > 26 76 O 0.18398166876114 0.90124297364628 0.18217096013819 15.999 > 26 77 O 0.18398166876114 0.09875702635372 0.68217096013819 15.999 > 27 78 O 0.18398166876114 0.59875702635372 0.68217096013819 15.999 > 27 79 O 0.81601833123886 0.09875702635372 0.81782903986181 15.999 > 28 80 O 0.81601833123886 0.59875702635372 0.81782903986181 15.999 > 28 *81 O 0.91880738869004 0.44803121245216 0.52490287454596 15.999 > 29 82 O 0.91880738869004 0.94803121245216 0.52490287454596 15.999 > 29 83 O 0.08119261130996 0.44803121245216 0.97509712545404 15.999 > 30 84 O 0.08119261130996 0.94803121245216 0.97509712545404 15.999 > 30 85 O 0.08119261130996 0.05196878754784 0.47509712545404 15.999 > 31 86 O 0.08119261130996 0.55196878754784 0.47509712545404 15.999 > 31 87 O 0.91880738869004 0.05196878754784 0.02490287454596 15.999 > 32 88 O 0.91880738869004 0.55196878754784 0.02490287454596 15.999 > 32 *89 O 0.00000000000000 0.02153855696701 0.25000000000000 15.999 > 33 90 O 0.00000000000000 0.52153855696701 0.25000000000000 15.999 > 33 91 O 0.00000000000000 0.47846144303299 0.75000000000000 15.999 > 34 92 O 0.00000000000000 0.97846144303299 0.75000000000000 15.999 > 34 93 O 0.61235226643425 0.45988807745957 0.11560832884828 15.999 > 13 94 O 0.61235226643425 0.95988807745957 0.11560832884828 15.999 > 13 95 O 0.38764773356575 0.45988807745957 0.38439167115172 15.999 > 14 96 O 0.38764773356575 0.95988807745957 0.38439167115172 15.999 > 14 97 O 0.38764773356575 0.04011192254043 0.88439167115172 15.999 > 15 98 O 0.38764773356575 0.54011192254043 0.88439167115172 15.999 > 15 99 O 0.61235226643425 0.04011192254043 0.61560832884828 15.999 > 16 100 O 0.61235226643425 0.54011192254043 0.61560832884828 15.999 > 16 101 O 0.21487840665350 0.04477979962733 0.14231227240848 15.999 > 17 102 O 0.21487840665350 0.54477979962733 0.14231227240848 15.999 > 17 103 O 0.78512159334650 0.04477979962733 0.35768772759152 15.999 > 18 104 O 0.78512159334650 0.54477979962733 0.35768772759152 15.999 > 18 105 O 0.78512159334650 0.45522020037267 0.85768772759152 15.999 > 19 106 O 0.78512159334650 0.95522020037267 0.85768772759152 15.999 > 19 107 O 0.21487840665350 0.45522020037267 0.64231227240848 15.999 > 20 108 O 0.21487840665350 0.95522020037267 0.64231227240848 15.999 > 20 109 O 0.39920727050466 0.15009187527814 0.10145223020153 15.999 > 21 110 O 0.39920727050466 0.65009187527814 0.10145223020153 15.999 > 21 111 O 0.60079272949534 0.15009187527814 0.39854776979847 15.999 > 22 112 O 0.60079272949534 0.65009187527814 0.39854776979847 15.999 > 22 113 O 0.60079272949534 0.34990812472186 0.89854776979847 15.999 > 23 114 O 0.60079272949534 0.84990812472186 0.89854776979847 15.999 > 23 115 O 0.39920727050466 0.34990812472186 0.60145223020153 15.999 > 24 116 O 0.39920727050466 0.84990812472186 0.60145223020153 15.999 > 24 117 O 0.31601833123886 0.15124297364628 0.31782903986181 15.999 > 25 118 O 0.31601833123886 0.65124297364628 0.31782903986181 15.999 > 25 119 O 0.68398166876114 0.15124297364628 0.18217096013819 15.999 > 26 120 O 0.68398166876114 0.65124297364628 0.18217096013819 15.999 > 26 121 O 0.68398166876114 0.34875702635372 0.68217096013819 15.999 > 27 122 O 0.68398166876114 0.84875702635372 0.68217096013819 15.999 > 27 123 O 0.31601833123886 0.34875702635372 0.81782903986181 15.999 > 28 124 O 0.31601833123886 0.84875702635372 0.81782903986181 15.999 > 28 125 O 0.41880738869004 0.19803121245216 0.52490287454596 15.999 > 29 126 O 0.41880738869004 0.69803121245216 0.52490287454596 15.999 > 29 127 O 0.58119261130996 0.19803121245216 0.97509712545404 15.999 > 30 128 O 0.58119261130996 0.69803121245216 0.97509712545404 15.999 > 30 129 O 0.58119261130996 0.30196878754784 0.47509712545404 15.999 > 31 130 O 0.58119261130996 0.80196878754784 0.47509712545404 15.999 > 31 131 O 0.41880738869004 0.30196878754784 0.02490287454596 15.999 > 32 132 O 0.41880738869004 0.80196878754784 0.02490287454596 15.999 > 32 133 O 0.50000000000000 0.27153855696701 0.25000000000000 15.999 > 33 134 O 0.50000000000000 0.77153855696701 0.25000000000000 15.999 > 33 135 O 0.50000000000000 0.22846144303299 0.75000000000000 15.999 > 34 136 O 0.50000000000000 0.72846144303299 0.75000000000000 15.999 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1753285 0.0000000 0.0626178 0.0000000 3.1690140 0.0000000 0.0625876 0.0000000 3.4170747 -------------------------- Born effective charges -------------------------- 1 As 3.3998708 0.8854023 0.3501180 0.7735691 3.4503867 0.7699713 0.1534641 0.2317069 3.4395896 2 As 3.3998708 -0.8854023 0.3501180 -0.7735691 3.4503867 -0.7699713 0.1534641 -0.2317069 3.4395896 3 As 3.3998708 0.8854023 0.3501180 0.7735691 3.4503867 0.7699713 0.1534641 0.2317069 3.4395896 4 As 3.3998708 -0.8854023 0.3501180 -0.7735691 3.4503867 -0.7699713 0.1534641 -0.2317069 3.4395896 5 As 4.5404308 -0.8370869 0.0028534 -1.2608001 4.0600582 0.1985602 0.3079290 0.7309100 5.2177999 6 As 4.5404308 0.8370869 0.0028534 1.2608001 4.0600582 -0.1985602 0.3079290 -0.7309100 5.2177999 7 As 4.5404308 -0.8370869 0.0028534 -1.2608001 4.0600582 0.1985602 0.3079290 0.7309100 5.2177999 8 As 4.5404308 0.8370869 0.0028534 1.2608001 4.0600582 -0.1985602 0.3079290 -0.7309100 5.2177999 9 Na 1.2733943 0.1694519 0.0309822 0.2260193 1.2319420 0.0241092 -0.0495413 -0.0086507 1.1280865 10 Na 1.2733943 -0.1694519 0.0309822 -0.2260193 1.2319420 -0.0241092 -0.0495413 0.0086507 1.1280865 11 Na 1.2733943 0.1694519 0.0309822 0.2260193 1.2319420 0.0241092 -0.0495413 -0.0086507 1.1280865 12 Na 1.2733943 -0.1694519 0.0309822 -0.2260193 1.2319420 -0.0241092 -0.0495413 0.0086507 1.1280865 13 O -1.4534199 0.2042691 -0.2804493 0.1039758 -1.3253257 0.0615843 -0.2471609 0.1740249 -1.2052945 14 O -1.4534199 -0.2042691 -0.2804493 -0.1039758 -1.3253257 -0.0615843 -0.2471609 -0.1740249 -1.2052945 15 O -1.4534199 0.2042691 -0.2804493 0.1039758 -1.3253257 0.0615843 -0.2471609 0.1740249 -1.2052945 16 O -1.4534199 -0.2042691 -0.2804493 -0.1039758 -1.3253257 -0.0615843 -0.2471609 -0.1740249 -1.2052945 17 O -1.7091238 -1.1705187 -0.2068786 -0.9755132 -2.5555198 -0.3763966 -0.2006625 -0.2810587 -1.1475430 18 O -1.7091238 1.1705187 -0.2068786 0.9755132 -2.5555198 0.3763966 -0.2006625 0.2810587 -1.1475430 19 O -1.7091238 -1.1705187 -0.2068786 -0.9755132 -2.5555198 -0.3763966 -0.2006625 -0.2810587 -1.1475430 20 O -1.7091238 1.1705187 -0.2068786 0.9755132 -2.5555198 0.3763966 -0.2006625 0.2810587 -1.1475430 21 O -2.4346947 -0.8120185 0.2461304 -0.8711448 -1.3425328 -0.0245333 0.2791632 0.0612447 -1.3167393 22 O -2.4346947 0.8120185 0.2461304 0.8711448 -1.3425328 0.0245333 0.2791632 -0.0612447 -1.3167393 23 O -2.4346947 -0.8120185 0.2461304 -0.8711448 -1.3425328 -0.0245333 0.2791632 0.0612447 -1.3167393 24 O -2.4346947 0.8120185 0.2461304 0.8711448 -1.3425328 0.0245333 0.2791632 -0.0612447 -1.3167393 25 O -1.5056228 -0.4402634 -0.5246742 -0.4578889 -1.5230199 -0.7196967 -0.5008022 -0.5482181 -2.3873442 26 O -1.5056228 0.4402634 -0.5246742 0.4578889 -1.5230199 0.7196967 -0.5008022 0.5482181 -2.3873442 27 O -1.5056228 -0.4402634 -0.5246742 -0.4578889 -1.5230199 -0.7196967 -0.5008022 -0.5482181 -2.3873442 28 O -1.5056228 0.4402634 -0.5246742 0.4578889 -1.5230199 0.7196967 -0.5008022 0.5482181 -2.3873442 29 O -1.3655426 0.0109947 -0.0055077 0.0212900 -1.3547539 -0.0661863 -0.0831834 -0.3492693 -2.3683227 30 O -1.3655426 -0.0109947 -0.0055077 -0.0212900 -1.3547539 0.0661863 -0.0831834 0.3492693 -2.3683227 31 O -1.3655426 0.0109947 -0.0055077 0.0212900 -1.3547539 -0.0661863 -0.0831834 -0.3492693 -2.3683227 32 O -1.3655426 -0.0109947 -0.0055077 -0.0212900 -1.3547539 0.0661863 -0.0831834 0.3492693 -2.3683227 33 O -1.4905842 0.0000000 0.7748514 0.0000000 -1.2824698 0.0000000 0.6815880 0.0000000 -2.7204648 34 O -1.4905842 0.0000000 0.7748514 0.0000000 -1.2824698 0.0000000 0.6815880 0.0000000 -2.7204648 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (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: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1152 / 1152 (1) 136 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1152 / 1152 (1) 136 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 122 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 122 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 122 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 9), data: (631, 18) @ (18, 9) |-- (131, 122), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 9), data: (631, 18) @ (18, 9) |-- (131, 122), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 9), data: (631, 18) @ (18, 9) |-- (131, 122), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 28), data: (1152, 44) @ (44, 28) |-- (152, 136), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 28), data: (1152, 44) @ (44, 28) |-- (152, 136), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1040 - Time: 1.713 Solver_block: 200 / 1040 - Time: 1.579 Solver_block: 300 / 1040 - Time: 1.592 Solver_block: 400 / 1040 - Time: 1.595 Solver_block: 500 / 1040 - Time: 1.587 Solver_block: 600 / 1040 - Time: 1.594 Solver_block: 700 / 1040 - Time: 1.593 Solver_block: 800 / 1040 - Time: 1.585 Solver_block: 900 / 1040 - Time: 1.588 Solver_block: 1000 / 1040 - Time: 1.597 Solver_block: 1040 / 1040 - Time: 0.723 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.186 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (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: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1152 / 1152 (1) 136 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1152 / 1152 (1) 136 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 122 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 122 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 122 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 9), data: (631, 18) @ (18, 9) |-- (131, 122), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 9), data: (631, 18) @ (18, 9) |-- (131, 122), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 9), data: (631, 18) @ (18, 9) |-- (131, 122), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 28), data: (1152, 44) @ (44, 28) |-- (152, 136), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 28), data: (1152, 44) @ (44, 28) |-- (152, 136), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:38:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:38:50]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.556824570219487 -4.173201575000000 0.000000000000000 b 4.556824570219487 4.173201575000000 0.000000000000000 c -2.595826327399889 0.000000000000000 11.300851052641740 Atomic positions (fractional): 1 As 0.95540970744019 0.53623582300212 0.16539629827208 74.922 2 As 0.46376417699788 0.04459029255981 0.33460370172792 74.922 3 As 0.04459029255981 0.46376417699788 0.83460370172792 74.922 4 As 0.53623582300212 0.95540970744019 0.66539629827208 74.922 5 As 0.99789341418332 0.91567718565774 0.38173719554197 74.922 6 As 0.08432281434226 0.00210658581668 0.11826280445803 74.922 7 As 0.00210658581668 0.08432281434226 0.61826280445803 74.922 8 As 0.91567718565774 0.99789341418332 0.88173719554197 74.922 9 Na 0.26455341484287 0.46040089884087 0.53660015837267 22.990 10 Na 0.53959910115913 0.73544658515713 0.96339984162733 22.990 11 Na 0.73544658515713 0.53959910115913 0.46339984162733 22.990 12 Na 0.46040089884087 0.26455341484287 0.03660015837267 22.990 13 O 0.69257611151512 0.53212842135338 0.11560832884828 15.999 14 O 0.46787157864662 0.30742388848488 0.38439167115172 15.999 15 O 0.30742388848488 0.46787157864662 0.88439167115172 15.999 16 O 0.53212842135338 0.69257611151512 0.61560832884828 15.999 17 O 0.12531880739884 0.30443800590816 0.14231227240848 15.999 18 O 0.69556199409184 0.87468119260116 0.35768772759152 15.999 19 O 0.87468119260116 0.69556199409184 0.85768772759152 15.999 20 O 0.30443800590816 0.12531880739884 0.64231227240848 15.999 21 O 0.09902351994838 0.69939102106094 0.10145223020153 15.999 22 O 0.30060897893906 0.90097648005162 0.39854776979847 15.999 23 O 0.90097648005162 0.30060897893906 0.89854776979847 15.999 24 O 0.69939102106094 0.09902351994838 0.60145223020153 15.999 25 O 0.01353238394630 0.61850427853143 0.31782903986181 15.999 26 O 0.38149572146857 0.98646761605370 0.18217096013819 15.999 27 O 0.98646761605371 0.38149572146857 0.68217096013819 15.999 28 O 0.61850427853143 0.01353238394630 0.81782903986181 15.999 29 O 0.02274496378572 0.81486981359435 0.52490287454596 15.999 30 O 0.18513018640565 0.97725503621428 0.97509712545404 15.999 31 O 0.97725503621428 0.18513018640565 0.47509712545404 15.999 32 O 0.81486981359435 0.02274496378572 0.02490287454596 15.999 33 O 0.95692288606599 0.04307711393401 0.25000000000000 15.999 34 O 0.04307711393401 0.95692288606599 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.113649140438973 0.000000000000000 0.000000000000000 b 0.000000000000000 16.692806300000001 0.000000000000000 c -2.595826327399889 0.000000000000000 11.300851052641740 Atomic positions (fractional): 1 As 0.24582276522116 0.14520652889048 0.16539629827208 74.922 > 1 2 As 0.24582276522116 0.64520652889048 0.16539629827208 74.922 > 1 3 As 0.75417723477885 0.14520652889048 0.33460370172792 74.922 > 3 4 As 0.75417723477885 0.64520652889048 0.33460370172792 74.922 > 3 5 As 0.75417723477885 0.35479347110952 0.83460370172792 74.922 > 5 6 As 0.75417723477885 0.85479347110952 0.83460370172792 74.922 > 5 7 As 0.24582276522116 0.35479347110952 0.66539629827208 74.922 > 7 8 As 0.24582276522116 0.85479347110952 0.66539629827208 74.922 > 7 9 As 0.45678529992053 0.22944594286860 0.38173719554197 74.922 > 9 10 As 0.45678529992053 0.72944594286860 0.38173719554197 74.922 > 9 11 As 0.54321470007947 0.22944594286860 0.11826280445803 74.922 > 11 12 As 0.54321470007947 0.72944594286860 0.11826280445803 74.922 > 11 13 As 0.54321470007947 0.27055405713140 0.61826280445803 74.922 > 13 14 As 0.54321470007947 0.77055405713140 0.61826280445803 74.922 > 13 15 As 0.45678529992053 0.27055405713140 0.88173719554197 74.922 > 15 16 As 0.45678529992053 0.77055405713140 0.88173719554197 74.922 > 15 17 As 0.74582276522115 0.39520652889048 0.16539629827208 74.922 > 1 18 As 0.74582276522115 0.89520652889048 0.16539629827208 74.922 > 1 19 As 0.25417723477885 0.39520652889048 0.33460370172792 74.922 > 3 20 As 0.25417723477885 0.89520652889048 0.33460370172792 74.922 > 3 21 As 0.25417723477885 0.10479347110952 0.83460370172792 74.922 > 5 22 As 0.25417723477885 0.60479347110952 0.83460370172792 74.922 > 5 23 As 0.74582276522115 0.10479347110952 0.66539629827208 74.922 > 7 24 As 0.74582276522115 0.60479347110952 0.66539629827208 74.922 > 7 25 As 0.95678529992053 0.47944594286860 0.38173719554197 74.922 > 9 26 As 0.95678529992053 0.97944594286860 0.38173719554197 74.922 > 9 27 As 0.04321470007947 0.47944594286860 0.11826280445803 74.922 > 11 28 As 0.04321470007947 0.97944594286860 0.11826280445803 74.922 > 11 29 As 0.04321470007947 0.02055405713140 0.61826280445803 74.922 > 13 30 As 0.04321470007947 0.52055405713140 0.61826280445803 74.922 > 13 31 As 0.95678529992053 0.02055405713140 0.88173719554197 74.922 > 15 32 As 0.95678529992053 0.52055405713140 0.88173719554197 74.922 > 15 33 Na 0.86247715684187 0.29896187099950 0.53660015837267 22.990 > 33 34 Na 0.86247715684187 0.79896187099950 0.53660015837267 22.990 > 33 35 Na 0.13752284315813 0.29896187099950 0.96339984162733 22.990 > 35 36 Na 0.13752284315813 0.79896187099950 0.96339984162733 22.990 > 35 37 Na 0.13752284315813 0.20103812900050 0.46339984162733 22.990 > 37 38 Na 0.13752284315813 0.70103812900050 0.46339984162733 22.990 > 37 39 Na 0.86247715684187 0.20103812900050 0.03660015837267 22.990 > 39 40 Na 0.86247715684187 0.70103812900050 0.03660015837267 22.990 > 39 41 Na 0.36247715684187 0.04896187099950 0.53660015837267 22.990 > 33 42 Na 0.36247715684187 0.54896187099950 0.53660015837267 22.990 > 33 43 Na 0.63752284315813 0.04896187099950 0.96339984162733 22.990 > 35 44 Na 0.63752284315813 0.54896187099950 0.96339984162733 22.990 > 35 45 Na 0.63752284315813 0.45103812900050 0.46339984162733 22.990 > 37 46 Na 0.63752284315813 0.95103812900050 0.46339984162733 22.990 > 37 47 Na 0.36247715684187 0.45103812900050 0.03660015837267 22.990 > 39 48 Na 0.36247715684187 0.95103812900050 0.03660015837267 22.990 > 39 49 O 0.11235226643425 0.20988807745957 0.11560832884828 15.999 > 49 50 O 0.11235226643425 0.70988807745957 0.11560832884828 15.999 > 49 51 O 0.88764773356575 0.20988807745957 0.38439167115172 15.999 > 51 52 O 0.88764773356575 0.70988807745957 0.38439167115172 15.999 > 51 53 O 0.88764773356575 0.29011192254043 0.88439167115172 15.999 > 53 54 O 0.88764773356575 0.79011192254043 0.88439167115172 15.999 > 53 55 O 0.11235226643425 0.29011192254043 0.61560832884828 15.999 > 55 56 O 0.11235226643425 0.79011192254043 0.61560832884828 15.999 > 55 57 O 0.71487840665350 0.29477979962733 0.14231227240848 15.999 > 57 58 O 0.71487840665350 0.79477979962733 0.14231227240848 15.999 > 57 59 O 0.28512159334650 0.29477979962733 0.35768772759152 15.999 > 59 60 O 0.28512159334650 0.79477979962733 0.35768772759152 15.999 > 59 61 O 0.28512159334650 0.20522020037267 0.85768772759152 15.999 > 61 62 O 0.28512159334650 0.70522020037267 0.85768772759152 15.999 > 61 63 O 0.71487840665350 0.20522020037267 0.64231227240848 15.999 > 63 64 O 0.71487840665350 0.70522020037267 0.64231227240848 15.999 > 63 65 O 0.89920727050466 0.40009187527814 0.10145223020153 15.999 > 65 66 O 0.89920727050466 0.90009187527814 0.10145223020153 15.999 > 65 67 O 0.10079272949534 0.40009187527814 0.39854776979847 15.999 > 67 68 O 0.10079272949534 0.90009187527814 0.39854776979847 15.999 > 67 69 O 0.10079272949534 0.09990812472186 0.89854776979847 15.999 > 69 70 O 0.10079272949534 0.59990812472186 0.89854776979847 15.999 > 69 71 O 0.89920727050466 0.09990812472186 0.60145223020153 15.999 > 71 72 O 0.89920727050466 0.59990812472186 0.60145223020153 15.999 > 71 73 O 0.81601833123886 0.40124297364628 0.31782903986181 15.999 > 73 74 O 0.81601833123886 0.90124297364628 0.31782903986181 15.999 > 73 75 O 0.18398166876114 0.40124297364628 0.18217096013819 15.999 > 75 76 O 0.18398166876114 0.90124297364628 0.18217096013819 15.999 > 75 77 O 0.18398166876114 0.09875702635372 0.68217096013819 15.999 > 77 78 O 0.18398166876114 0.59875702635372 0.68217096013819 15.999 > 77 79 O 0.81601833123886 0.09875702635372 0.81782903986181 15.999 > 79 80 O 0.81601833123886 0.59875702635372 0.81782903986181 15.999 > 79 81 O 0.91880738869004 0.44803121245216 0.52490287454596 15.999 > 81 82 O 0.91880738869004 0.94803121245216 0.52490287454596 15.999 > 81 83 O 0.08119261130996 0.44803121245216 0.97509712545404 15.999 > 83 84 O 0.08119261130996 0.94803121245216 0.97509712545404 15.999 > 83 85 O 0.08119261130996 0.05196878754784 0.47509712545404 15.999 > 85 86 O 0.08119261130996 0.55196878754784 0.47509712545404 15.999 > 85 87 O 0.91880738869004 0.05196878754784 0.02490287454596 15.999 > 87 88 O 0.91880738869004 0.55196878754784 0.02490287454596 15.999 > 87 89 O 0.00000000000000 0.02153855696701 0.25000000000000 15.999 > 89 90 O 0.00000000000000 0.52153855696701 0.25000000000000 15.999 > 89 91 O 0.00000000000000 0.47846144303299 0.75000000000000 15.999 > 91 92 O 0.00000000000000 0.97846144303299 0.75000000000000 15.999 > 91 93 O 0.61235226643425 0.45988807745957 0.11560832884828 15.999 > 49 94 O 0.61235226643425 0.95988807745957 0.11560832884828 15.999 > 49 95 O 0.38764773356575 0.45988807745957 0.38439167115172 15.999 > 51 96 O 0.38764773356575 0.95988807745957 0.38439167115172 15.999 > 51 97 O 0.38764773356575 0.04011192254043 0.88439167115172 15.999 > 53 98 O 0.38764773356575 0.54011192254043 0.88439167115172 15.999 > 53 99 O 0.61235226643425 0.04011192254043 0.61560832884828 15.999 > 55 100 O 0.61235226643425 0.54011192254043 0.61560832884828 15.999 > 55 101 O 0.21487840665350 0.04477979962733 0.14231227240848 15.999 > 57 102 O 0.21487840665350 0.54477979962733 0.14231227240848 15.999 > 57 103 O 0.78512159334650 0.04477979962733 0.35768772759152 15.999 > 59 104 O 0.78512159334650 0.54477979962733 0.35768772759152 15.999 > 59 105 O 0.78512159334650 0.45522020037267 0.85768772759152 15.999 > 61 106 O 0.78512159334650 0.95522020037267 0.85768772759152 15.999 > 61 107 O 0.21487840665350 0.45522020037267 0.64231227240848 15.999 > 63 108 O 0.21487840665350 0.95522020037267 0.64231227240848 15.999 > 63 109 O 0.39920727050466 0.15009187527814 0.10145223020153 15.999 > 65 110 O 0.39920727050466 0.65009187527814 0.10145223020153 15.999 > 65 111 O 0.60079272949534 0.15009187527814 0.39854776979847 15.999 > 67 112 O 0.60079272949534 0.65009187527814 0.39854776979847 15.999 > 67 113 O 0.60079272949534 0.34990812472186 0.89854776979847 15.999 > 69 114 O 0.60079272949534 0.84990812472186 0.89854776979847 15.999 > 69 115 O 0.39920727050466 0.34990812472186 0.60145223020153 15.999 > 71 116 O 0.39920727050466 0.84990812472186 0.60145223020153 15.999 > 71 117 O 0.31601833123886 0.15124297364628 0.31782903986181 15.999 > 73 118 O 0.31601833123886 0.65124297364628 0.31782903986181 15.999 > 73 119 O 0.68398166876114 0.15124297364628 0.18217096013819 15.999 > 75 120 O 0.68398166876114 0.65124297364628 0.18217096013819 15.999 > 75 121 O 0.68398166876114 0.34875702635372 0.68217096013819 15.999 > 77 122 O 0.68398166876114 0.84875702635372 0.68217096013819 15.999 > 77 123 O 0.31601833123886 0.34875702635372 0.81782903986181 15.999 > 79 124 O 0.31601833123886 0.84875702635372 0.81782903986181 15.999 > 79 125 O 0.41880738869004 0.19803121245216 0.52490287454596 15.999 > 81 126 O 0.41880738869004 0.69803121245216 0.52490287454596 15.999 > 81 127 O 0.58119261130996 0.19803121245216 0.97509712545404 15.999 > 83 128 O 0.58119261130996 0.69803121245216 0.97509712545404 15.999 > 83 129 O 0.58119261130996 0.30196878754784 0.47509712545404 15.999 > 85 130 O 0.58119261130996 0.80196878754784 0.47509712545404 15.999 > 85 131 O 0.41880738869004 0.30196878754784 0.02490287454596 15.999 > 87 132 O 0.41880738869004 0.80196878754784 0.02490287454596 15.999 > 87 133 O 0.50000000000000 0.27153855696701 0.25000000000000 15.999 > 89 134 O 0.50000000000000 0.77153855696701 0.25000000000000 15.999 > 89 135 O 0.50000000000000 0.22846144303299 0.75000000000000 15.999 > 91 136 O 0.50000000000000 0.72846144303299 0.75000000000000 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1753285 0.0000000 0.0626178 0.0000000 3.1690140 0.0000000 0.0625876 0.0000000 3.4170747 -------------------------- Born effective charges -------------------------- 1 As 3.3998708 0.8854023 0.3501180 0.7735691 3.4503867 0.7699713 0.1534641 0.2317069 3.4395896 2 As 3.3998708 -0.8854023 0.3501180 -0.7735691 3.4503867 -0.7699713 0.1534641 -0.2317069 3.4395896 3 As 3.3998708 0.8854023 0.3501180 0.7735691 3.4503867 0.7699713 0.1534641 0.2317069 3.4395896 4 As 3.3998708 -0.8854023 0.3501180 -0.7735691 3.4503867 -0.7699713 0.1534641 -0.2317069 3.4395896 5 As 4.5404308 -0.8370869 0.0028534 -1.2608001 4.0600582 0.1985602 0.3079290 0.7309100 5.2177999 6 As 4.5404308 0.8370869 0.0028534 1.2608001 4.0600582 -0.1985602 0.3079290 -0.7309100 5.2177999 7 As 4.5404308 -0.8370869 0.0028534 -1.2608001 4.0600582 0.1985602 0.3079290 0.7309100 5.2177999 8 As 4.5404308 0.8370869 0.0028534 1.2608001 4.0600582 -0.1985602 0.3079290 -0.7309100 5.2177999 9 Na 1.2733943 0.1694519 0.0309822 0.2260193 1.2319420 0.0241092 -0.0495413 -0.0086507 1.1280865 10 Na 1.2733943 -0.1694519 0.0309822 -0.2260193 1.2319420 -0.0241092 -0.0495413 0.0086507 1.1280865 11 Na 1.2733943 0.1694519 0.0309822 0.2260193 1.2319420 0.0241092 -0.0495413 -0.0086507 1.1280865 12 Na 1.2733943 -0.1694519 0.0309822 -0.2260193 1.2319420 -0.0241092 -0.0495413 0.0086507 1.1280865 13 O -1.4534199 0.2042691 -0.2804493 0.1039758 -1.3253257 0.0615843 -0.2471609 0.1740249 -1.2052945 14 O -1.4534199 -0.2042691 -0.2804493 -0.1039758 -1.3253257 -0.0615843 -0.2471609 -0.1740249 -1.2052945 15 O -1.4534199 0.2042691 -0.2804493 0.1039758 -1.3253257 0.0615843 -0.2471609 0.1740249 -1.2052945 16 O -1.4534199 -0.2042691 -0.2804493 -0.1039758 -1.3253257 -0.0615843 -0.2471609 -0.1740249 -1.2052945 17 O -1.7091238 -1.1705187 -0.2068786 -0.9755132 -2.5555198 -0.3763966 -0.2006625 -0.2810587 -1.1475430 18 O -1.7091238 1.1705187 -0.2068786 0.9755132 -2.5555198 0.3763966 -0.2006625 0.2810587 -1.1475430 19 O -1.7091238 -1.1705187 -0.2068786 -0.9755132 -2.5555198 -0.3763966 -0.2006625 -0.2810587 -1.1475430 20 O -1.7091238 1.1705187 -0.2068786 0.9755132 -2.5555198 0.3763966 -0.2006625 0.2810587 -1.1475430 21 O -2.4346947 -0.8120185 0.2461304 -0.8711448 -1.3425328 -0.0245333 0.2791632 0.0612447 -1.3167393 22 O -2.4346947 0.8120185 0.2461304 0.8711448 -1.3425328 0.0245333 0.2791632 -0.0612447 -1.3167393 23 O -2.4346947 -0.8120185 0.2461304 -0.8711448 -1.3425328 -0.0245333 0.2791632 0.0612447 -1.3167393 24 O -2.4346947 0.8120185 0.2461304 0.8711448 -1.3425328 0.0245333 0.2791632 -0.0612447 -1.3167393 25 O -1.5056228 -0.4402634 -0.5246742 -0.4578889 -1.5230199 -0.7196967 -0.5008022 -0.5482181 -2.3873442 26 O -1.5056228 0.4402634 -0.5246742 0.4578889 -1.5230199 0.7196967 -0.5008022 0.5482181 -2.3873442 27 O -1.5056228 -0.4402634 -0.5246742 -0.4578889 -1.5230199 -0.7196967 -0.5008022 -0.5482181 -2.3873442 28 O -1.5056228 0.4402634 -0.5246742 0.4578889 -1.5230199 0.7196967 -0.5008022 0.5482181 -2.3873442 29 O -1.3655426 0.0109947 -0.0055077 0.0212900 -1.3547539 -0.0661863 -0.0831834 -0.3492693 -2.3683227 30 O -1.3655426 -0.0109947 -0.0055077 -0.0212900 -1.3547539 0.0661863 -0.0831834 0.3492693 -2.3683227 31 O -1.3655426 0.0109947 -0.0055077 0.0212900 -1.3547539 -0.0661863 -0.0831834 -0.3492693 -2.3683227 32 O -1.3655426 -0.0109947 -0.0055077 -0.0212900 -1.3547539 0.0661863 -0.0831834 0.3492693 -2.3683227 33 O -1.4905842 0.0000000 0.7748514 0.0000000 -1.2824698 0.0000000 0.6815880 0.0000000 -2.7204648 34 O -1.4905842 0.0000000 0.7748514 0.0000000 -1.2824698 0.0000000 0.6815880 0.0000000 -2.7204648 ---------------------------------------------------------------------------- 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] Computing fc3[ 9, 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] Computing fc3[ 73, 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:39:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:39:35]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.556824570219487 -4.173201575000000 0.000000000000000 b 4.556824570219487 4.173201575000000 0.000000000000000 c -2.595826327399889 0.000000000000000 11.300851052641740 Atomic positions (fractional): 1 As 0.95540970744019 0.53623582300212 0.16539629827208 74.922 2 As 0.46376417699788 0.04459029255981 0.33460370172792 74.922 3 As 0.04459029255981 0.46376417699788 0.83460370172792 74.922 4 As 0.53623582300212 0.95540970744019 0.66539629827208 74.922 5 As 0.99789341418332 0.91567718565774 0.38173719554197 74.922 6 As 0.08432281434226 0.00210658581668 0.11826280445803 74.922 7 As 0.00210658581668 0.08432281434226 0.61826280445803 74.922 8 As 0.91567718565774 0.99789341418332 0.88173719554197 74.922 9 Na 0.26455341484287 0.46040089884087 0.53660015837267 22.990 10 Na 0.53959910115913 0.73544658515713 0.96339984162733 22.990 11 Na 0.73544658515713 0.53959910115913 0.46339984162733 22.990 12 Na 0.46040089884087 0.26455341484287 0.03660015837267 22.990 13 O 0.69257611151512 0.53212842135338 0.11560832884828 15.999 14 O 0.46787157864662 0.30742388848488 0.38439167115172 15.999 15 O 0.30742388848488 0.46787157864662 0.88439167115172 15.999 16 O 0.53212842135338 0.69257611151512 0.61560832884828 15.999 17 O 0.12531880739884 0.30443800590816 0.14231227240848 15.999 18 O 0.69556199409184 0.87468119260116 0.35768772759152 15.999 19 O 0.87468119260116 0.69556199409184 0.85768772759152 15.999 20 O 0.30443800590816 0.12531880739884 0.64231227240848 15.999 21 O 0.09902351994838 0.69939102106094 0.10145223020153 15.999 22 O 0.30060897893906 0.90097648005162 0.39854776979847 15.999 23 O 0.90097648005162 0.30060897893906 0.89854776979847 15.999 24 O 0.69939102106094 0.09902351994838 0.60145223020153 15.999 25 O 0.01353238394630 0.61850427853143 0.31782903986181 15.999 26 O 0.38149572146857 0.98646761605370 0.18217096013819 15.999 27 O 0.98646761605371 0.38149572146857 0.68217096013819 15.999 28 O 0.61850427853143 0.01353238394630 0.81782903986181 15.999 29 O 0.02274496378572 0.81486981359435 0.52490287454596 15.999 30 O 0.18513018640565 0.97725503621428 0.97509712545404 15.999 31 O 0.97725503621428 0.18513018640565 0.47509712545404 15.999 32 O 0.81486981359435 0.02274496378572 0.02490287454596 15.999 33 O 0.95692288606599 0.04307711393401 0.25000000000000 15.999 34 O 0.04307711393401 0.95692288606599 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.113649140438973 0.000000000000000 0.000000000000000 b 0.000000000000000 16.692806300000001 0.000000000000000 c -2.595826327399889 0.000000000000000 11.300851052641740 Atomic positions (fractional): 1 As 0.24582276522116 0.14520652889048 0.16539629827208 74.922 > 1 2 As 0.24582276522116 0.64520652889048 0.16539629827208 74.922 > 1 3 As 0.75417723477885 0.14520652889048 0.33460370172792 74.922 > 3 4 As 0.75417723477885 0.64520652889048 0.33460370172792 74.922 > 3 5 As 0.75417723477885 0.35479347110952 0.83460370172792 74.922 > 5 6 As 0.75417723477885 0.85479347110952 0.83460370172792 74.922 > 5 7 As 0.24582276522116 0.35479347110952 0.66539629827208 74.922 > 7 8 As 0.24582276522116 0.85479347110952 0.66539629827208 74.922 > 7 9 As 0.45678529992053 0.22944594286860 0.38173719554197 74.922 > 9 10 As 0.45678529992053 0.72944594286860 0.38173719554197 74.922 > 9 11 As 0.54321470007947 0.22944594286860 0.11826280445803 74.922 > 11 12 As 0.54321470007947 0.72944594286860 0.11826280445803 74.922 > 11 13 As 0.54321470007947 0.27055405713140 0.61826280445803 74.922 > 13 14 As 0.54321470007947 0.77055405713140 0.61826280445803 74.922 > 13 15 As 0.45678529992053 0.27055405713140 0.88173719554197 74.922 > 15 16 As 0.45678529992053 0.77055405713140 0.88173719554197 74.922 > 15 17 As 0.74582276522115 0.39520652889048 0.16539629827208 74.922 > 1 18 As 0.74582276522115 0.89520652889048 0.16539629827208 74.922 > 1 19 As 0.25417723477885 0.39520652889048 0.33460370172792 74.922 > 3 20 As 0.25417723477885 0.89520652889048 0.33460370172792 74.922 > 3 21 As 0.25417723477885 0.10479347110952 0.83460370172792 74.922 > 5 22 As 0.25417723477885 0.60479347110952 0.83460370172792 74.922 > 5 23 As 0.74582276522115 0.10479347110952 0.66539629827208 74.922 > 7 24 As 0.74582276522115 0.60479347110952 0.66539629827208 74.922 > 7 25 As 0.95678529992053 0.47944594286860 0.38173719554197 74.922 > 9 26 As 0.95678529992053 0.97944594286860 0.38173719554197 74.922 > 9 27 As 0.04321470007947 0.47944594286860 0.11826280445803 74.922 > 11 28 As 0.04321470007947 0.97944594286860 0.11826280445803 74.922 > 11 29 As 0.04321470007947 0.02055405713140 0.61826280445803 74.922 > 13 30 As 0.04321470007947 0.52055405713140 0.61826280445803 74.922 > 13 31 As 0.95678529992053 0.02055405713140 0.88173719554197 74.922 > 15 32 As 0.95678529992053 0.52055405713140 0.88173719554197 74.922 > 15 33 Na 0.86247715684187 0.29896187099950 0.53660015837267 22.990 > 33 34 Na 0.86247715684187 0.79896187099950 0.53660015837267 22.990 > 33 35 Na 0.13752284315813 0.29896187099950 0.96339984162733 22.990 > 35 36 Na 0.13752284315813 0.79896187099950 0.96339984162733 22.990 > 35 37 Na 0.13752284315813 0.20103812900050 0.46339984162733 22.990 > 37 38 Na 0.13752284315813 0.70103812900050 0.46339984162733 22.990 > 37 39 Na 0.86247715684187 0.20103812900050 0.03660015837267 22.990 > 39 40 Na 0.86247715684187 0.70103812900050 0.03660015837267 22.990 > 39 41 Na 0.36247715684187 0.04896187099950 0.53660015837267 22.990 > 33 42 Na 0.36247715684187 0.54896187099950 0.53660015837267 22.990 > 33 43 Na 0.63752284315813 0.04896187099950 0.96339984162733 22.990 > 35 44 Na 0.63752284315813 0.54896187099950 0.96339984162733 22.990 > 35 45 Na 0.63752284315813 0.45103812900050 0.46339984162733 22.990 > 37 46 Na 0.63752284315813 0.95103812900050 0.46339984162733 22.990 > 37 47 Na 0.36247715684187 0.45103812900050 0.03660015837267 22.990 > 39 48 Na 0.36247715684187 0.95103812900050 0.03660015837267 22.990 > 39 49 O 0.11235226643425 0.20988807745957 0.11560832884828 15.999 > 49 50 O 0.11235226643425 0.70988807745957 0.11560832884828 15.999 > 49 51 O 0.88764773356575 0.20988807745957 0.38439167115172 15.999 > 51 52 O 0.88764773356575 0.70988807745957 0.38439167115172 15.999 > 51 53 O 0.88764773356575 0.29011192254043 0.88439167115172 15.999 > 53 54 O 0.88764773356575 0.79011192254043 0.88439167115172 15.999 > 53 55 O 0.11235226643425 0.29011192254043 0.61560832884828 15.999 > 55 56 O 0.11235226643425 0.79011192254043 0.61560832884828 15.999 > 55 57 O 0.71487840665350 0.29477979962733 0.14231227240848 15.999 > 57 58 O 0.71487840665350 0.79477979962733 0.14231227240848 15.999 > 57 59 O 0.28512159334650 0.29477979962733 0.35768772759152 15.999 > 59 60 O 0.28512159334650 0.79477979962733 0.35768772759152 15.999 > 59 61 O 0.28512159334650 0.20522020037267 0.85768772759152 15.999 > 61 62 O 0.28512159334650 0.70522020037267 0.85768772759152 15.999 > 61 63 O 0.71487840665350 0.20522020037267 0.64231227240848 15.999 > 63 64 O 0.71487840665350 0.70522020037267 0.64231227240848 15.999 > 63 65 O 0.89920727050466 0.40009187527814 0.10145223020153 15.999 > 65 66 O 0.89920727050466 0.90009187527814 0.10145223020153 15.999 > 65 67 O 0.10079272949534 0.40009187527814 0.39854776979847 15.999 > 67 68 O 0.10079272949534 0.90009187527814 0.39854776979847 15.999 > 67 69 O 0.10079272949534 0.09990812472186 0.89854776979847 15.999 > 69 70 O 0.10079272949534 0.59990812472186 0.89854776979847 15.999 > 69 71 O 0.89920727050466 0.09990812472186 0.60145223020153 15.999 > 71 72 O 0.89920727050466 0.59990812472186 0.60145223020153 15.999 > 71 73 O 0.81601833123886 0.40124297364628 0.31782903986181 15.999 > 73 74 O 0.81601833123886 0.90124297364628 0.31782903986181 15.999 > 73 75 O 0.18398166876114 0.40124297364628 0.18217096013819 15.999 > 75 76 O 0.18398166876114 0.90124297364628 0.18217096013819 15.999 > 75 77 O 0.18398166876114 0.09875702635372 0.68217096013819 15.999 > 77 78 O 0.18398166876114 0.59875702635372 0.68217096013819 15.999 > 77 79 O 0.81601833123886 0.09875702635372 0.81782903986181 15.999 > 79 80 O 0.81601833123886 0.59875702635372 0.81782903986181 15.999 > 79 81 O 0.91880738869004 0.44803121245216 0.52490287454596 15.999 > 81 82 O 0.91880738869004 0.94803121245216 0.52490287454596 15.999 > 81 83 O 0.08119261130996 0.44803121245216 0.97509712545404 15.999 > 83 84 O 0.08119261130996 0.94803121245216 0.97509712545404 15.999 > 83 85 O 0.08119261130996 0.05196878754784 0.47509712545404 15.999 > 85 86 O 0.08119261130996 0.55196878754784 0.47509712545404 15.999 > 85 87 O 0.91880738869004 0.05196878754784 0.02490287454596 15.999 > 87 88 O 0.91880738869004 0.55196878754784 0.02490287454596 15.999 > 87 89 O 0.00000000000000 0.02153855696701 0.25000000000000 15.999 > 89 90 O 0.00000000000000 0.52153855696701 0.25000000000000 15.999 > 89 91 O 0.00000000000000 0.47846144303299 0.75000000000000 15.999 > 91 92 O 0.00000000000000 0.97846144303299 0.75000000000000 15.999 > 91 93 O 0.61235226643425 0.45988807745957 0.11560832884828 15.999 > 49 94 O 0.61235226643425 0.95988807745957 0.11560832884828 15.999 > 49 95 O 0.38764773356575 0.45988807745957 0.38439167115172 15.999 > 51 96 O 0.38764773356575 0.95988807745957 0.38439167115172 15.999 > 51 97 O 0.38764773356575 0.04011192254043 0.88439167115172 15.999 > 53 98 O 0.38764773356575 0.54011192254043 0.88439167115172 15.999 > 53 99 O 0.61235226643425 0.04011192254043 0.61560832884828 15.999 > 55 100 O 0.61235226643425 0.54011192254043 0.61560832884828 15.999 > 55 101 O 0.21487840665350 0.04477979962733 0.14231227240848 15.999 > 57 102 O 0.21487840665350 0.54477979962733 0.14231227240848 15.999 > 57 103 O 0.78512159334650 0.04477979962733 0.35768772759152 15.999 > 59 104 O 0.78512159334650 0.54477979962733 0.35768772759152 15.999 > 59 105 O 0.78512159334650 0.45522020037267 0.85768772759152 15.999 > 61 106 O 0.78512159334650 0.95522020037267 0.85768772759152 15.999 > 61 107 O 0.21487840665350 0.45522020037267 0.64231227240848 15.999 > 63 108 O 0.21487840665350 0.95522020037267 0.64231227240848 15.999 > 63 109 O 0.39920727050466 0.15009187527814 0.10145223020153 15.999 > 65 110 O 0.39920727050466 0.65009187527814 0.10145223020153 15.999 > 65 111 O 0.60079272949534 0.15009187527814 0.39854776979847 15.999 > 67 112 O 0.60079272949534 0.65009187527814 0.39854776979847 15.999 > 67 113 O 0.60079272949534 0.34990812472186 0.89854776979847 15.999 > 69 114 O 0.60079272949534 0.84990812472186 0.89854776979847 15.999 > 69 115 O 0.39920727050466 0.34990812472186 0.60145223020153 15.999 > 71 116 O 0.39920727050466 0.84990812472186 0.60145223020153 15.999 > 71 117 O 0.31601833123886 0.15124297364628 0.31782903986181 15.999 > 73 118 O 0.31601833123886 0.65124297364628 0.31782903986181 15.999 > 73 119 O 0.68398166876114 0.15124297364628 0.18217096013819 15.999 > 75 120 O 0.68398166876114 0.65124297364628 0.18217096013819 15.999 > 75 121 O 0.68398166876114 0.34875702635372 0.68217096013819 15.999 > 77 122 O 0.68398166876114 0.84875702635372 0.68217096013819 15.999 > 77 123 O 0.31601833123886 0.34875702635372 0.81782903986181 15.999 > 79 124 O 0.31601833123886 0.84875702635372 0.81782903986181 15.999 > 79 125 O 0.41880738869004 0.19803121245216 0.52490287454596 15.999 > 81 126 O 0.41880738869004 0.69803121245216 0.52490287454596 15.999 > 81 127 O 0.58119261130996 0.19803121245216 0.97509712545404 15.999 > 83 128 O 0.58119261130996 0.69803121245216 0.97509712545404 15.999 > 83 129 O 0.58119261130996 0.30196878754784 0.47509712545404 15.999 > 85 130 O 0.58119261130996 0.80196878754784 0.47509712545404 15.999 > 85 131 O 0.41880738869004 0.30196878754784 0.02490287454596 15.999 > 87 132 O 0.41880738869004 0.80196878754784 0.02490287454596 15.999 > 87 133 O 0.50000000000000 0.27153855696701 0.25000000000000 15.999 > 89 134 O 0.50000000000000 0.77153855696701 0.25000000000000 15.999 > 89 135 O 0.50000000000000 0.22846144303299 0.75000000000000 15.999 > 91 136 O 0.50000000000000 0.72846144303299 0.75000000000000 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1753285 0.0000000 0.0626178 0.0000000 3.1690140 0.0000000 0.0625876 0.0000000 3.4170747 -------------------------- Born effective charges -------------------------- 1 As 3.3998708 0.8854023 0.3501180 0.7735691 3.4503867 0.7699713 0.1534641 0.2317069 3.4395896 2 As 3.3998708 -0.8854023 0.3501180 -0.7735691 3.4503867 -0.7699713 0.1534641 -0.2317069 3.4395896 3 As 3.3998708 0.8854023 0.3501180 0.7735691 3.4503867 0.7699713 0.1534641 0.2317069 3.4395896 4 As 3.3998708 -0.8854023 0.3501180 -0.7735691 3.4503867 -0.7699713 0.1534641 -0.2317069 3.4395896 5 As 4.5404308 -0.8370869 0.0028534 -1.2608001 4.0600582 0.1985602 0.3079290 0.7309100 5.2177999 6 As 4.5404308 0.8370869 0.0028534 1.2608001 4.0600582 -0.1985602 0.3079290 -0.7309100 5.2177999 7 As 4.5404308 -0.8370869 0.0028534 -1.2608001 4.0600582 0.1985602 0.3079290 0.7309100 5.2177999 8 As 4.5404308 0.8370869 0.0028534 1.2608001 4.0600582 -0.1985602 0.3079290 -0.7309100 5.2177999 9 Na 1.2733943 0.1694519 0.0309822 0.2260193 1.2319420 0.0241092 -0.0495413 -0.0086507 1.1280865 10 Na 1.2733943 -0.1694519 0.0309822 -0.2260193 1.2319420 -0.0241092 -0.0495413 0.0086507 1.1280865 11 Na 1.2733943 0.1694519 0.0309822 0.2260193 1.2319420 0.0241092 -0.0495413 -0.0086507 1.1280865 12 Na 1.2733943 -0.1694519 0.0309822 -0.2260193 1.2319420 -0.0241092 -0.0495413 0.0086507 1.1280865 13 O -1.4534199 0.2042691 -0.2804493 0.1039758 -1.3253257 0.0615843 -0.2471609 0.1740249 -1.2052945 14 O -1.4534199 -0.2042691 -0.2804493 -0.1039758 -1.3253257 -0.0615843 -0.2471609 -0.1740249 -1.2052945 15 O -1.4534199 0.2042691 -0.2804493 0.1039758 -1.3253257 0.0615843 -0.2471609 0.1740249 -1.2052945 16 O -1.4534199 -0.2042691 -0.2804493 -0.1039758 -1.3253257 -0.0615843 -0.2471609 -0.1740249 -1.2052945 17 O -1.7091238 -1.1705187 -0.2068786 -0.9755132 -2.5555198 -0.3763966 -0.2006625 -0.2810587 -1.1475430 18 O -1.7091238 1.1705187 -0.2068786 0.9755132 -2.5555198 0.3763966 -0.2006625 0.2810587 -1.1475430 19 O -1.7091238 -1.1705187 -0.2068786 -0.9755132 -2.5555198 -0.3763966 -0.2006625 -0.2810587 -1.1475430 20 O -1.7091238 1.1705187 -0.2068786 0.9755132 -2.5555198 0.3763966 -0.2006625 0.2810587 -1.1475430 21 O -2.4346947 -0.8120185 0.2461304 -0.8711448 -1.3425328 -0.0245333 0.2791632 0.0612447 -1.3167393 22 O -2.4346947 0.8120185 0.2461304 0.8711448 -1.3425328 0.0245333 0.2791632 -0.0612447 -1.3167393 23 O -2.4346947 -0.8120185 0.2461304 -0.8711448 -1.3425328 -0.0245333 0.2791632 0.0612447 -1.3167393 24 O -2.4346947 0.8120185 0.2461304 0.8711448 -1.3425328 0.0245333 0.2791632 -0.0612447 -1.3167393 25 O -1.5056228 -0.4402634 -0.5246742 -0.4578889 -1.5230199 -0.7196967 -0.5008022 -0.5482181 -2.3873442 26 O -1.5056228 0.4402634 -0.5246742 0.4578889 -1.5230199 0.7196967 -0.5008022 0.5482181 -2.3873442 27 O -1.5056228 -0.4402634 -0.5246742 -0.4578889 -1.5230199 -0.7196967 -0.5008022 -0.5482181 -2.3873442 28 O -1.5056228 0.4402634 -0.5246742 0.4578889 -1.5230199 0.7196967 -0.5008022 0.5482181 -2.3873442 29 O -1.3655426 0.0109947 -0.0055077 0.0212900 -1.3547539 -0.0661863 -0.0831834 -0.3492693 -2.3683227 30 O -1.3655426 -0.0109947 -0.0055077 -0.0212900 -1.3547539 0.0661863 -0.0831834 0.3492693 -2.3683227 31 O -1.3655426 0.0109947 -0.0055077 0.0212900 -1.3547539 -0.0661863 -0.0831834 -0.3492693 -2.3683227 32 O -1.3655426 -0.0109947 -0.0055077 -0.0212900 -1.3547539 0.0661863 -0.0831834 0.3492693 -2.3683227 33 O -1.4905842 0.0000000 0.7748514 0.0000000 -1.2824698 0.0000000 0.6815880 0.0000000 -2.7204648 34 O -1.4905842 0.0000000 0.7748514 0.0000000 -1.2824698 0.0000000 0.6815880 0.0000000 -2.7204648 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 8 4 ] 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: 0.55, Number of G-points: 307, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.972 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.333 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.581 ( 0.000 0.000 0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 7.193 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 7.870 ( 0.000 0.000 0.000) 0.000 7.900 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.486 ( 0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 9.046 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.672 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.139 ( 0.000 0.000 0.000) 0.000 10.528 ( 0.000 0.000 0.000) 0.000 10.631 ( 0.000 0.000 0.000) 0.000 10.768 ( 0.000 0.000 0.000) 0.000 11.167 ( 0.000 0.000 0.000) 0.000 11.404 ( 0.000 0.000 0.000) 0.000 11.510 ( 0.000 0.000 0.000) 0.000 12.283 ( 0.000 0.000 0.000) 0.000 12.337 ( 0.000 0.000 0.000) 0.000 12.440 ( 0.000 0.000 0.000) 0.000 12.780 ( 0.000 0.000 0.000) 0.000 12.851 ( 0.000 0.000 0.000) 0.000 12.969 ( 0.000 0.000 0.000) 0.000 13.045 ( 0.000 0.000 0.000) 0.000 13.417 ( 0.000 0.000 0.000) 0.000 14.020 ( 0.000 0.000 0.000) 0.000 14.297 ( 0.000 0.000 0.000) 0.000 14.698 ( 0.000 0.000 0.000) 0.000 14.709 ( 0.000 0.000 0.000) 0.000 14.993 ( 0.000 0.000 0.000) 0.000 15.101 ( 0.000 0.000 0.000) 0.000 15.144 ( 0.000 0.000 0.000) 0.000 15.203 ( 0.000 0.000 0.000) 0.000 15.285 ( 0.000 0.000 0.000) 0.000 15.324 ( 0.000 0.000 0.000) 0.000 15.368 ( 0.000 0.000 0.000) 0.000 16.362 ( 0.000 0.000 0.000) 0.000 16.699 ( 0.000 0.000 0.000) 0.000 17.180 ( 0.000 0.000 0.000) 0.000 17.645 ( 0.000 0.000 0.000) 0.000 19.429 ( 0.000 0.000 0.000) 0.000 19.788 ( 0.000 0.000 0.000) 0.000 20.276 ( 0.000 0.000 0.000) 0.000 20.836 ( 0.000 0.000 0.000) 0.000 21.209 ( 0.000 0.000 0.000) 0.000 21.221 ( 0.000 0.000 0.000) 0.000 21.414 ( 0.000 0.000 0.000) 0.000 22.245 ( 0.000 0.000 0.000) 0.000 22.286 ( 0.000 0.000 0.000) 0.000 22.405 ( 0.000 0.000 0.000) 0.000 22.493 ( 0.000 0.000 0.000) 0.000 22.750 ( 0.000 0.000 0.000) 0.000 23.819 ( 0.000 0.000 0.000) 0.000 25.240 ( 0.000 0.000 0.000) 0.000 25.284 ( 0.000 0.000 0.000) 0.000 25.465 ( 0.000 0.000 0.000) 0.000 25.950 ( 0.000 0.000 0.000) 0.000 26.918 ( 0.000 0.000 0.000) 0.000 27.039 ( 0.000 0.000 0.000) 0.000 27.201 ( 0.000 0.000 0.000) 0.000 27.214 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 18.484 -15.807 8.523) 25.771 0.605 ( 19.057 -19.254 9.709) 28.778 1.143 ( 38.558 -30.473 13.131) 50.870 1.899 ( -3.293 -0.336 -0.668) 3.377 1.987 ( -4.589 -5.333 2.744) 7.552 2.197 ( 9.592 -2.400 -8.028) 12.736 2.332 ( 2.940 2.041 4.054) 5.408 2.584 ( -0.752 -11.830 2.997) 12.227 2.926 ( 5.047 -2.850 -2.632) 6.366 3.146 ( -2.724 -7.230 -1.900) 7.956 3.249 ( 3.112 0.404 -0.476) 3.174 3.524 ( 1.933 1.322 -8.087) 8.419 3.703 ( -13.776 -1.127 -1.280) 13.881 3.737 ( -1.388 4.869 1.333) 5.236 3.999 ( -1.783 -2.849 -4.746) 5.815 4.212 ( -4.155 -0.254 -1.949) 4.596 4.474 ( -1.722 1.796 3.232) 4.079 4.587 ( 13.717 3.801 2.712) 14.490 4.613 ( 0.152 1.165 -1.458) 1.873 4.810 ( 3.665 1.082 -3.928) 5.480 4.920 ( -6.227 0.355 6.795) 9.223 4.978 ( 1.324 0.076 -6.681) 6.811 5.108 ( -0.185 3.259 -4.513) 5.570 5.205 ( -1.045 6.245 -1.663) 6.546 5.284 ( 4.462 -1.680 3.595) 5.971 5.639 ( -2.582 -0.689 -0.422) 2.706 5.774 ( -5.735 -5.751 -3.051) 8.676 6.050 ( -7.418 -2.837 -8.362) 11.533 6.089 ( 1.827 -3.486 0.236) 3.943 6.149 ( -1.970 2.458 4.734) 5.686 6.395 ( 4.358 -1.740 5.629) 7.328 6.555 ( -1.309 2.171 0.201) 2.543 6.573 ( -0.189 -8.309 0.514) 8.327 6.734 ( 1.651 -5.670 -1.188) 6.024 6.926 ( 2.707 0.171 1.781) 3.245 7.067 ( -0.592 -8.577 -7.694) 11.538 7.161 ( -3.913 -0.584 1.664) 4.292 7.422 ( 5.089 -4.595 3.797) 7.838 7.587 ( 6.335 -0.174 1.334) 6.477 7.631 ( -2.888 0.434 -4.374) 5.259 7.905 ( 3.779 1.145 -1.438) 4.202 7.980 ( 0.370 -0.819 7.660) 7.712 8.427 ( 4.384 14.384 33.807) 37.000 8.497 ( 0.077 -0.496 2.594) 2.643 8.843 ( -2.064 0.617 -1.371) 2.553 8.930 ( -0.336 -1.192 1.682) 2.089 9.189 ( 6.631 8.131 -6.295) 12.236 9.243 ( 6.251 9.266 5.106) 12.288 9.830 ( -8.607 -5.715 2.470) 10.622 10.020 ( 1.426 2.883 -2.083) 3.832 10.117 ( -1.520 -0.531 -1.940) 2.521 10.200 ( 11.817 5.628 -2.926) 13.412 10.624 ( -0.958 0.018 -1.590) 1.856 10.666 ( -10.452 -3.803 1.048) 11.171 10.773 ( 2.408 12.244 -10.068) 16.034 11.169 ( -2.583 2.354 3.561) 4.989 11.329 ( -2.116 5.333 1.187) 5.859 11.540 ( -4.355 -0.932 -0.341) 4.467 12.304 ( -2.740 -4.646 1.562) 5.615 12.407 ( -2.228 1.968 -1.727) 3.438 12.533 ( -8.396 -10.738 -2.749) 13.905 12.776 ( -7.428 -4.123 1.617) 8.648 12.909 ( 0.597 2.405 -1.674) 2.990 13.061 ( 5.027 3.999 -0.097) 6.424 13.392 ( -2.497 2.884 1.063) 3.960 13.769 ( 6.552 19.192 -10.477) 22.826 14.158 ( 10.142 9.482 -10.428) 17.364 14.272 ( -4.858 -2.892 -0.009) 5.654 14.623 ( 3.482 6.051 5.407) 8.830 14.818 ( -3.007 -7.068 -1.171) 7.769 15.053 ( -4.800 -2.727 -0.978) 5.607 15.102 ( 4.112 -2.229 2.428) 5.270 15.228 ( -0.289 0.841 0.083) 0.893 15.273 ( 1.646 -3.254 -1.372) 3.896 15.312 ( -1.695 -0.353 -3.895) 4.262 15.329 ( 3.786 -1.944 -1.368) 4.471 15.576 ( 11.902 -11.735 -6.059) 17.778 16.394 ( -3.444 2.472 25.508) 25.858 16.730 ( 2.630 -1.484 0.453) 3.054 17.334 ( 11.050 9.520 4.794) 15.353 18.421 ( -21.368 -13.343 3.410) 25.422 19.281 ( -13.710 6.760 3.311) 15.641 19.785 ( -1.256 -0.292 0.337) 1.333 20.264 ( -0.721 0.603 -1.445) 1.724 20.800 ( -4.549 1.308 0.029) 4.733 21.196 ( -2.927 -1.621 -1.356) 3.611 21.300 ( 6.365 5.404 -1.956) 8.576 21.462 ( 6.028 0.855 -0.158) 6.091 22.134 ( -10.784 -0.222 3.609) 11.374 22.265 ( 3.256 4.002 0.146) 5.161 22.518 ( 0.308 -2.728 -0.145) 2.749 23.023 ( 18.827 -15.710 -1.150) 24.547 23.383 ( -14.062 21.188 4.176) 25.770 24.401 ( 23.309 -8.376 -2.868) 24.934 25.260 ( -3.816 -0.269 4.715) 6.072 25.300 ( 0.524 -1.274 -9.441) 9.541 25.462 ( -0.212 0.473 0.365) 0.634 25.932 ( 0.018 2.085 -0.475) 2.139 26.974 ( 2.875 3.114 1.848) 4.624 27.187 ( -0.914 0.665 -1.753) 2.086 27.215 ( -0.910 -1.135 0.146) 1.462 27.569 ( 0.533 -0.608 6.029) 6.083 ======================= Grid point 2 (3/78) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 17.433 -16.129 2.030) 23.837 1.127 ( 15.412 -13.830 11.789) 23.828 1.770 ( 2.898 -6.520 -1.811) 7.361 1.932 ( -7.980 -2.908 1.190) 8.576 1.957 ( 9.938 -1.738 3.315) 10.620 2.456 ( 5.909 -6.586 6.499) 10.978 2.491 ( 17.648 -11.008 1.005) 20.825 2.754 ( 0.386 -10.608 1.879) 10.780 3.048 ( 2.840 -6.187 -5.046) 8.474 3.203 ( 5.616 2.360 -4.786) 7.747 3.261 ( 0.869 3.378 2.829) 4.491 3.521 ( 3.454 -0.555 -9.938) 10.535 3.599 ( -0.753 -1.570 4.267) 4.608 3.747 ( 1.500 -3.421 4.995) 6.238 3.959 ( -4.459 -1.233 -6.543) 8.013 4.109 ( -7.844 2.769 1.223) 8.408 4.370 ( -5.355 5.061 1.046) 7.442 4.513 ( -3.056 0.501 -6.788) 7.461 4.726 ( 1.275 2.970 -4.561) 5.590 4.789 ( 2.993 1.841 2.141) 4.114 4.876 ( -2.698 2.118 1.864) 3.903 4.984 ( 2.405 6.298 -3.663) 7.672 5.017 ( 4.848 0.393 -1.896) 5.220 5.182 ( 0.585 -1.827 1.273) 2.302 5.394 ( 3.124 -4.101 5.560) 7.582 5.670 ( 3.369 -1.970 0.108) 3.905 5.774 ( -4.320 -5.204 -1.988) 7.049 5.974 ( -7.046 -3.256 -3.304) 8.436 6.053 ( 1.874 6.376 1.595) 6.835 6.206 ( -3.088 -6.756 2.200) 7.747 6.434 ( -5.540 -2.750 0.351) 6.195 6.471 ( -6.434 -1.211 -6.257) 9.056 6.693 ( 3.700 -4.522 1.907) 6.147 6.890 ( 5.801 -4.641 1.438) 7.567 7.007 ( 3.753 -1.095 9.567) 10.335 7.147 ( 0.021 -4.174 -2.116) 4.679 7.222 ( 10.160 -3.609 -1.194) 10.848 7.522 ( -5.351 1.703 -7.252) 9.172 7.583 ( 4.256 -3.251 3.666) 6.490 7.724 ( 7.943 -2.788 5.419) 10.012 7.895 ( 2.252 1.698 -9.265) 9.685 8.059 ( 5.073 -0.855 1.233) 5.290 8.357 ( -1.158 7.835 15.894) 17.758 8.507 ( -1.120 0.167 5.390) 5.507 8.790 ( -3.486 0.426 -1.531) 3.831 8.915 ( -1.893 3.156 -2.916) 4.695 9.172 ( 2.100 1.201 -2.425) 3.426 9.242 ( 6.685 0.993 8.570) 10.914 9.764 ( -6.378 -0.144 -0.388) 6.392 9.980 ( -1.377 2.405 -1.928) 3.376 10.147 ( -0.334 -4.936 -2.365) 5.483 10.256 ( 5.901 2.078 -5.674) 8.446 10.465 ( -5.101 7.624 -10.110) 13.651 10.605 ( -0.730 1.964 -2.198) 3.036 10.672 ( -0.629 5.250 7.217) 8.947 10.967 ( -11.451 10.194 0.687) 15.346 11.259 ( -0.675 4.503 6.714) 8.113 11.465 ( -4.161 1.423 -3.194) 5.435 12.301 ( -3.648 5.059 -5.567) 8.361 12.337 ( -5.242 -4.038 6.519) 9.289 12.556 ( -2.406 -3.110 -2.792) 4.822 12.749 ( -6.285 -4.751 2.252) 8.194 12.884 ( -0.599 0.509 -2.844) 2.951 13.002 ( 4.649 13.995 1.899) 14.868 13.270 ( -2.339 3.342 -1.272) 4.273 13.662 ( 3.392 1.413 -5.618) 6.713 14.131 ( 4.485 4.245 -1.673) 6.398 14.268 ( -4.314 -4.533 -1.512) 6.438 14.624 ( 5.613 5.367 7.104) 10.525 14.841 ( -4.351 -4.231 -0.971) 6.146 15.032 ( -3.844 -2.437 -1.512) 4.796 15.179 ( -1.536 -1.447 4.222) 4.720 15.199 ( 1.147 2.325 -4.930) 5.570 15.267 ( -1.647 -0.448 -0.951) 1.954 15.321 ( 3.848 -1.305 0.320) 4.076 15.505 ( 7.746 -6.401 -0.270) 10.052 15.901 ( 12.861 -9.781 -7.973) 18.017 16.395 ( -1.724 1.048 15.108) 15.242 16.813 ( 4.750 -2.588 -0.671) 5.451 17.363 ( 3.129 1.607 3.326) 4.841 18.233 ( -13.828 6.748 -3.380) 15.754 19.045 ( -10.065 1.354 5.253) 11.434 19.761 ( -1.968 0.401 0.045) 2.009 20.233 ( -1.143 0.774 -2.280) 2.666 20.736 ( -2.324 0.915 1.137) 2.744 21.175 ( -3.602 -2.256 -1.295) 4.443 21.295 ( 4.776 5.151 0.593) 7.050 21.518 ( 4.194 1.247 -0.003) 4.376 22.034 ( -6.786 -1.265 2.103) 7.217 22.247 ( 2.100 3.376 0.010) 3.976 22.545 ( -5.417 -6.062 -0.117) 8.130 22.918 ( -9.464 18.730 0.458) 20.990 23.581 ( 21.204 -18.312 0.777) 28.028 24.774 ( 14.918 -5.977 -1.167) 16.113 25.215 ( -3.638 0.405 2.422) 4.389 25.296 ( 0.349 -0.280 -3.990) 4.015 25.444 ( -0.638 1.239 0.017) 1.393 25.893 ( 0.116 2.661 -0.644) 2.740 26.972 ( 0.124 0.436 0.585) 0.740 27.155 ( -0.506 1.080 -2.025) 2.350 27.223 ( -1.294 -1.753 0.228) 2.191 27.609 ( 1.032 -1.193 2.546) 2.995 ======================= Grid point 3 (4/78) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -1.314 -6.739 -0.079) 6.866 1.550 ( 15.201 -5.468 6.370) 17.365 1.861 ( 2.564 -7.471 -5.575) 9.669 1.897 ( 0.824 -2.046 -1.209) 2.516 2.113 ( 6.822 -2.699 10.702) 12.975 2.604 ( -4.346 -3.552 -3.237) 6.479 2.706 ( 1.275 -6.355 5.207) 8.314 2.929 ( 7.254 0.707 -2.357) 7.660 3.070 ( -3.729 7.703 -2.225) 8.843 3.253 ( 3.823 -11.723 -1.180) 12.387 3.280 ( 8.864 4.036 2.061) 9.955 3.537 ( -1.053 -0.898 -5.042) 5.229 3.662 ( 1.381 4.009 -2.492) 4.918 3.778 ( -4.378 -3.242 1.748) 5.721 3.944 ( -4.153 5.192 4.079) 7.800 4.073 ( 7.572 -11.165 5.544) 14.585 4.264 ( -0.871 2.357 3.111) 3.999 4.454 ( -3.746 -0.650 -6.665) 7.674 4.620 ( -3.553 2.405 -10.172) 11.040 4.782 ( -0.463 2.923 0.725) 3.046 4.832 ( 1.633 1.181 0.190) 2.025 4.946 ( -0.348 1.163 -3.446) 3.654 5.085 ( 4.039 0.444 1.560) 4.352 5.257 ( 2.677 -4.195 1.788) 5.288 5.490 ( 0.475 -1.671 5.749) 6.006 5.740 ( 3.437 0.200 -0.611) 3.497 5.821 ( -1.141 -6.351 0.218) 6.457 5.949 ( -0.496 -1.392 -0.792) 1.676 6.005 ( 2.261 4.167 1.227) 4.897 6.212 ( -5.402 -1.521 0.339) 5.622 6.367 ( -8.660 -4.815 -4.153) 10.744 6.424 ( -0.401 0.635 -2.179) 2.305 6.812 ( 4.389 -4.399 -2.704) 6.777 6.981 ( 0.861 -0.482 5.637) 5.723 7.083 ( -1.348 -1.804 1.480) 2.695 7.248 ( 5.713 -1.499 4.846) 7.640 7.383 ( 1.823 -2.766 -0.833) 3.416 7.440 ( 3.885 -0.718 -4.677) 6.123 7.594 ( -2.129 5.258 -0.736) 5.720 7.895 ( 5.344 -3.065 7.047) 9.360 7.937 ( 5.889 -4.175 -7.773) 10.608 8.119 ( 2.658 0.277 -2.037) 3.360 8.296 ( -0.235 2.464 5.682) 6.198 8.498 ( -1.854 0.410 6.484) 6.756 8.731 ( -3.196 0.499 -0.477) 3.270 8.807 ( -2.006 4.210 -3.470) 5.813 9.134 ( -1.181 2.363 -0.228) 2.651 9.480 ( 10.481 -9.094 7.753) 15.896 9.697 ( -2.633 -0.080 1.483) 3.023 9.918 ( -1.992 1.645 -1.214) 2.854 10.089 ( -7.644 2.211 -11.064) 13.628 10.286 ( 3.462 1.283 -2.410) 4.409 10.360 ( -0.048 3.385 -0.709) 3.459 10.456 ( -6.897 7.890 -5.848) 12.001 10.590 ( -1.741 5.401 5.590) 7.966 10.752 ( -2.363 1.035 1.476) 2.972 11.182 ( -2.671 5.189 5.958) 8.340 11.393 ( -1.953 0.602 -3.274) 3.859 12.137 ( -5.018 5.204 -1.995) 7.500 12.318 ( -3.935 -0.243 3.960) 5.588 12.567 ( -0.740 -2.778 -2.787) 4.004 12.749 ( -2.241 -1.594 1.616) 3.189 12.819 ( -2.630 2.603 -2.062) 4.236 12.917 ( 4.739 5.438 1.286) 7.327 13.247 ( 0.686 -0.110 -1.290) 1.466 13.698 ( 2.154 -1.260 -2.480) 3.519 14.147 ( 4.051 1.740 0.783) 4.478 14.263 ( -4.309 -3.507 -2.781) 6.213 14.650 ( 5.379 4.284 5.346) 8.711 14.837 ( -3.920 -3.028 0.925) 5.039 15.006 ( -2.586 -0.906 -2.370) 3.623 15.156 ( 0.790 2.478 -4.014) 4.783 15.167 ( -2.287 -0.480 2.321) 3.294 15.252 ( -0.893 -0.093 -0.243) 0.930 15.423 ( 3.589 -2.640 1.454) 4.687 15.680 ( 4.969 -4.303 0.517) 6.594 16.130 ( 7.294 -5.001 -8.025) 11.942 16.417 ( -0.300 -0.301 11.567) 11.575 16.920 ( 4.866 -2.697 -1.912) 5.883 17.385 ( -0.523 -0.613 2.797) 2.911 17.899 ( -10.094 10.340 -3.924) 14.973 18.985 ( -3.348 -1.809 3.279) 5.023 19.727 ( -1.522 0.554 -0.201) 1.632 20.202 ( -0.877 0.450 -1.605) 1.883 20.711 ( -0.912 0.188 1.162) 1.489 21.161 ( -2.578 -1.984 -0.940) 3.386 21.283 ( 3.193 4.022 1.374) 5.316 21.543 ( 1.665 0.671 0.247) 1.812 21.995 ( -2.081 -0.897 0.402) 2.302 22.222 ( 0.607 2.434 0.047) 2.509 22.538 ( -23.560 -16.645 -1.444) 28.883 22.610 ( 14.205 23.020 1.390) 27.086 24.091 ( 15.478 -14.088 0.373) 20.932 24.917 ( 1.655 2.841 -1.053) 3.452 25.219 ( 1.343 -3.530 2.819) 4.713 25.294 ( 0.275 -0.070 -1.919) 1.940 25.406 ( -1.172 2.027 -0.809) 2.477 25.860 ( 0.141 1.680 -0.406) 1.734 26.968 ( -0.511 -0.218 0.032) 0.557 27.133 ( 0.080 0.793 -1.112) 1.368 27.231 ( -0.935 -1.254 0.147) 1.571 27.642 ( 0.626 -0.816 1.027) 1.454 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 -0.000 0.000) 0.000 1.670 ( 0.000 -0.000 -0.000) 0.000 1.865 ( 0.000 -0.000 0.000) 0.000 2.096 ( 0.000 -0.000 -0.000) 0.000 2.220 ( 0.000 -0.000 0.000) 0.000 2.519 ( 0.000 -0.000 0.000) 0.000 2.768 ( 0.000 -0.000 0.000) 0.000 2.935 ( 0.000 -0.000 0.000) 0.000 2.998 ( 0.000 -0.000 -0.000) 0.000 3.323 ( 0.000 -0.000 -0.000) 0.000 3.409 ( 0.000 -0.000 -0.000) 0.000 3.503 ( 0.000 -0.000 0.000) 0.000 3.573 ( 0.000 -0.000 -0.000) 0.000 3.775 ( 0.000 -0.000 0.000) 0.000 3.888 ( 0.000 -0.000 -0.000) 0.000 4.274 ( -0.000 -0.000 -0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 -0.000) 0.000 4.524 ( 0.000 -0.000 -0.000) 0.000 4.763 ( 0.000 -0.000 -0.000) 0.000 4.829 ( 0.000 -0.000 -0.000) 0.000 4.926 ( 0.000 -0.000 0.000) 0.000 5.110 ( 0.000 -0.000 -0.000) 0.000 5.331 ( 0.000 -0.000 -0.000) 0.000 5.503 ( 0.000 -0.000 0.000) 0.000 5.759 ( 0.000 -0.000 0.000) 0.000 5.875 ( -0.000 -0.000 -0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 5.991 ( 0.000 -0.000 -0.000) 0.000 6.172 ( -0.000 -0.000 -0.000) 0.000 6.326 ( 0.000 -0.000 -0.000) 0.000 6.418 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 -0.000 -0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.041 ( 0.000 -0.000 -0.000) 0.000 7.385 ( -0.000 0.000 -0.000) 0.000 7.405 ( 0.000 -0.000 0.000) 0.000 7.467 ( 0.000 -0.000 0.000) 0.000 7.487 ( 0.000 -0.000 -0.000) 0.000 7.969 ( 0.000 0.000 -0.000) 0.000 8.028 ( 0.000 -0.000 0.000) 0.000 8.119 ( 0.000 -0.000 -0.000) 0.000 8.296 ( 0.000 -0.000 -0.000) 0.000 8.493 ( 0.000 -0.000 0.000) 0.000 8.701 ( 0.000 -0.000 0.000) 0.000 8.750 ( 0.000 -0.000 0.000) 0.000 9.101 ( 0.000 -0.000 -0.000) 0.000 9.646 ( 0.000 -0.000 -0.000) 0.000 9.782 ( 0.000 -0.000 0.000) 0.000 9.860 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 -0.000 -0.000) 0.000 10.134 ( 0.000 -0.000 -0.000) 0.000 10.355 ( 0.000 -0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 -0.000 -0.000) 0.000 10.757 ( 0.000 -0.000 0.000) 0.000 11.117 ( 0.000 -0.000 -0.000) 0.000 11.372 ( 0.000 -0.000 0.000) 0.000 12.052 ( 0.000 -0.000 -0.000) 0.000 12.294 ( 0.000 -0.000 0.000) 0.000 12.583 ( 0.000 0.000 -0.000) 0.000 12.745 ( 0.000 0.000 0.000) 0.000 12.780 ( -0.000 -0.000 -0.000) 0.000 12.916 ( 0.000 -0.000 0.000) 0.000 13.253 ( 0.000 -0.000 -0.000) 0.000 13.721 ( 0.000 -0.000 0.000) 0.000 14.171 ( 0.000 0.000 0.000) 0.000 14.249 ( -0.000 -0.000 -0.000) 0.000 14.665 ( 0.000 -0.000 0.000) 0.000 14.834 ( 0.000 -0.000 0.000) 0.000 14.988 ( 0.000 -0.000 -0.000) 0.000 15.135 ( -0.000 -0.000 0.000) 0.000 15.158 ( 0.000 0.000 -0.000) 0.000 15.246 ( 0.000 -0.000 0.000) 0.000 15.473 ( 0.000 -0.000 0.000) 0.000 15.751 ( 0.000 -0.000 0.000) 0.000 16.201 ( 0.000 -0.000 0.000) 0.000 16.445 ( 0.000 -0.000 0.000) 0.000 16.981 ( 0.000 -0.000 0.000) 0.000 17.386 ( 0.000 -0.000 0.000) 0.000 17.728 ( 0.000 -0.000 0.000) 0.000 18.986 ( 0.000 -0.000 0.000) 0.000 19.711 ( 0.000 -0.000 -0.000) 0.000 20.190 ( 0.000 -0.000 0.000) 0.000 20.707 ( 0.000 -0.000 -0.000) 0.000 21.157 ( 0.000 -0.000 0.000) 0.000 21.276 ( 0.000 -0.000 -0.000) 0.000 21.549 ( 0.000 -0.000 -0.000) 0.000 21.993 ( 0.000 -0.000 -0.000) 0.000 22.202 ( 0.000 0.000 -0.000) 0.000 22.454 ( 0.000 0.000 0.000) 0.000 22.580 ( -0.000 -0.000 -0.000) 0.000 24.339 ( 0.000 -0.000 -0.000) 0.000 24.858 ( 0.000 -0.000 -0.000) 0.000 25.290 ( 0.000 -0.000 -0.000) 0.000 25.298 ( 0.000 -0.000 -0.000) 0.000 25.361 ( 0.000 -0.000 0.000) 0.000 25.847 ( 0.000 -0.000 0.000) 0.000 26.966 ( 0.000 -0.000 0.000) 0.000 27.126 ( 0.000 -0.000 0.000) 0.000 27.234 ( 0.000 -0.000 0.000) 0.000 27.655 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/78) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 29.382 -0.000 24.413) 38.201 0.936 ( 26.510 -0.000 3.560) 26.748 1.507 ( 33.650 -0.000 9.568) 34.984 1.866 ( -3.683 0.000 4.620) 5.908 1.978 ( 13.817 -0.000 5.472) 14.861 2.266 ( 9.033 -0.000 -15.559) 17.991 2.420 ( 2.452 -0.000 6.038) 6.517 2.494 ( 1.981 -0.000 7.563) 7.818 2.979 ( 7.621 -0.000 -4.646) 8.925 3.181 ( 12.392 -0.000 0.185) 12.393 3.310 ( 5.217 -0.000 0.831) 5.283 3.516 ( -7.707 0.000 4.631) 8.991 3.537 ( 1.600 -0.000 -13.819) 13.911 3.744 ( -1.868 0.000 -2.013) 2.747 3.934 ( -2.087 0.000 -4.840) 5.271 4.155 ( -3.281 0.000 -2.805) 4.317 4.462 ( -4.151 0.000 4.700) 6.270 4.509 ( -7.738 0.000 -8.170) 11.252 4.814 ( 6.471 -0.000 3.167) 7.204 4.844 ( -6.745 0.000 7.756) 10.279 4.900 ( -6.403 0.000 -4.456) 7.801 4.902 ( 5.948 -0.000 -12.550) 13.888 5.114 ( -1.995 0.000 0.739) 2.127 5.278 ( 3.445 -0.000 1.373) 3.708 5.324 ( 0.969 -0.000 3.624) 3.751 5.546 ( -4.141 0.000 -5.091) 6.563 5.656 ( -2.891 0.000 0.389) 2.917 5.933 ( -1.606 0.000 -5.512) 5.742 6.097 ( 3.296 -0.000 0.292) 3.309 6.192 ( 0.287 -0.000 1.618) 1.643 6.362 ( -9.064 0.000 0.602) 9.084 6.439 ( -0.188 0.000 -0.285) 0.342 6.656 ( 5.804 -0.000 6.070) 8.398 6.781 ( 11.188 -0.000 -0.797) 11.216 6.935 ( -0.044 0.000 0.754) 0.756 7.124 ( 13.605 -0.000 -1.052) 13.645 7.169 ( 2.942 -0.000 10.523) 10.926 7.485 ( 6.366 -0.000 6.232) 8.908 7.549 ( -5.907 0.000 -8.533) 10.378 7.692 ( 6.993 -0.000 2.364) 7.382 7.965 ( 0.274 -0.000 -2.751) 2.764 8.017 ( 6.577 -0.000 0.673) 6.611 8.481 ( -1.757 0.000 1.037) 2.041 8.521 ( -8.476 0.000 20.482) 22.167 8.856 ( -1.289 0.000 1.159) 1.733 8.921 ( 0.953 -0.000 3.775) 3.893 9.198 ( -2.906 0.000 -4.771) 5.586 9.598 ( -0.092 0.000 13.799) 13.799 9.605 ( -4.583 0.000 -0.269) 4.590 10.011 ( -1.380 0.000 -8.990) 9.095 10.042 ( -4.923 0.000 -5.633) 7.482 10.381 ( 0.476 -0.000 -2.328) 2.377 10.495 ( -0.415 0.000 -3.743) 3.766 10.624 ( -0.189 0.000 -0.827) 0.848 10.894 ( -2.371 0.000 -5.455) 5.948 11.151 ( -3.327 0.000 5.464) 6.397 11.323 ( -5.609 0.000 -2.101) 5.990 11.444 ( -5.014 0.000 2.681) 5.685 12.246 ( -6.870 0.000 -1.099) 6.957 12.247 ( -3.182 0.000 3.869) 5.009 12.435 ( 0.979 -0.000 -3.485) 3.620 12.654 ( -7.117 0.000 1.404) 7.254 12.911 ( -0.818 0.000 -4.205) 4.284 13.174 ( 6.569 -0.000 -0.978) 6.641 13.377 ( -3.396 0.000 1.632) 3.768 13.927 ( -4.191 0.000 -1.279) 4.382 14.120 ( -8.728 0.000 -4.241) 9.704 14.283 ( -2.707 0.000 -24.415) 24.565 14.731 ( 1.762 -0.000 10.781) 10.924 14.760 ( -2.169 0.000 4.192) 4.720 15.021 ( 1.125 -0.000 0.788) 1.374 15.148 ( 2.557 -0.000 3.916) 4.677 15.158 ( 0.326 -0.000 -3.156) 3.173 15.311 ( 6.128 -0.000 -1.520) 6.314 15.333 ( 3.163 -0.000 -4.671) 5.641 15.502 ( 14.213 -0.000 -6.868) 15.785 15.517 ( 9.476 -0.000 2.863) 9.899 16.420 ( -5.236 0.000 20.392) 21.054 16.772 ( 3.976 -0.000 3.303) 5.169 17.627 ( -0.802 0.000 -5.370) 5.430 18.032 ( -2.256 0.000 12.409) 12.613 19.108 ( -19.194 0.000 4.018) 19.610 19.764 ( -1.932 0.000 1.454) 2.418 20.219 ( -3.760 0.000 -3.360) 5.043 20.773 ( -2.550 0.000 3.541) 4.363 21.108 ( -5.964 0.000 -3.276) 6.805 21.378 ( 0.543 -0.000 -2.425) 2.485 21.541 ( 4.416 -0.000 1.326) 4.611 21.885 ( -16.754 0.000 6.327) 17.909 22.183 ( -16.048 0.000 -2.275) 16.209 22.641 ( 21.381 -0.000 -0.906) 21.400 23.132 ( 20.155 -0.000 -4.453) 20.641 24.021 ( 12.194 -0.000 -1.119) 12.245 24.227 ( 5.988 -0.000 -0.106) 5.989 25.221 ( -1.628 0.000 0.868) 1.845 25.269 ( -0.550 0.000 -4.645) 4.678 25.463 ( -0.515 0.000 0.760) 0.918 25.898 ( -4.237 0.000 1.716) 4.572 26.986 ( -1.633 0.000 -1.287) 2.079 27.179 ( -2.375 0.000 -0.972) 2.566 27.261 ( 3.093 -0.000 -1.968) 3.666 27.556 ( -1.867 0.000 7.497) 7.725 ======================= Grid point 11 (7/78) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 11.663 1.182 3.979) 12.380 1.395 ( 29.944 -5.056 19.502) 36.090 1.697 ( -1.851 -2.724 -1.130) 3.482 1.867 ( 1.452 -0.451 3.010) 3.372 2.212 ( 17.484 9.450 -2.046) 19.979 2.439 ( -0.610 -4.782 -1.647) 5.094 2.549 ( 6.394 -3.556 10.553) 12.842 2.711 ( 22.132 -14.827 6.091) 27.327 3.061 ( 7.055 1.669 -7.140) 10.175 3.323 ( 4.665 5.668 -2.243) 7.676 3.353 ( 6.868 1.084 0.823) 7.001 3.502 ( -0.341 -1.207 -9.357) 9.441 3.576 ( 5.810 -6.646 7.081) 11.317 3.765 ( 4.351 -0.695 -0.656) 4.455 3.886 ( -1.054 0.087 -5.661) 5.759 4.097 ( -1.909 2.223 -0.350) 2.950 4.344 ( -7.851 3.852 2.200) 9.017 4.398 ( -8.937 -2.015 -5.784) 10.834 4.690 ( -8.374 3.705 -4.759) 10.320 4.819 ( -3.076 -1.326 -0.116) 3.352 4.842 ( -1.370 -0.197 -4.818) 5.013 4.933 ( -0.679 -3.965 -7.084) 8.147 5.092 ( -2.482 -0.046 3.290) 4.121 5.264 ( 2.067 4.909 4.582) 7.026 5.406 ( 2.067 -2.845 6.942) 7.782 5.550 ( -2.370 -6.156 -2.695) 7.126 5.652 ( -2.312 -4.017 -1.841) 4.987 5.950 ( 3.749 -1.024 -5.459) 6.701 6.135 ( 2.177 1.216 0.838) 2.631 6.185 ( 1.160 1.581 0.095) 1.963 6.313 ( 2.104 0.620 3.498) 4.129 6.418 ( -2.530 -0.805 -2.141) 3.410 6.776 ( 9.966 1.486 -0.148) 10.077 6.900 ( 1.954 -3.523 -5.399) 6.737 7.005 ( 4.498 -2.704 11.914) 13.019 7.264 ( 9.907 2.693 7.476) 12.700 7.341 ( 11.101 -1.725 1.632) 11.353 7.419 ( -5.804 -0.052 -8.445) 10.247 7.624 ( 5.440 -2.603 7.513) 9.634 7.794 ( 4.697 -1.905 3.380) 6.092 7.934 ( 2.067 2.835 -8.946) 9.610 8.094 ( 2.294 -1.731 -2.434) 3.767 8.405 ( -4.944 3.474 5.839) 8.402 8.499 ( -4.708 -1.523 10.839) 11.915 8.810 ( -2.088 2.271 1.432) 3.402 8.937 ( 1.465 4.710 0.539) 4.962 9.189 ( 2.348 -2.780 -1.243) 3.846 9.426 ( 1.479 8.777 3.398) 9.528 9.673 ( -3.844 -2.297 4.198) 6.137 9.952 ( -4.396 0.657 -2.922) 5.319 9.988 ( -3.905 -4.794 -15.083) 16.301 10.349 ( 2.257 2.906 -3.103) 4.814 10.474 ( -1.247 2.005 -2.413) 3.376 10.610 ( -0.610 1.167 -2.661) 2.970 10.774 ( -2.780 6.031 1.420) 6.792 10.981 ( -9.902 11.327 1.596) 15.130 11.280 ( -4.656 -2.928 3.792) 6.681 11.370 ( -7.614 0.181 0.709) 7.650 12.159 ( -11.435 -4.559 1.816) 12.443 12.255 ( -3.919 -3.328 -0.803) 5.204 12.468 ( 0.826 -3.845 -1.472) 4.199 12.564 ( -7.690 -1.378 1.623) 7.979 12.867 ( -2.704 0.611 -4.883) 5.615 13.225 ( 5.006 5.265 0.312) 7.271 13.294 ( -3.801 3.714 1.785) 5.606 13.761 ( 0.625 8.317 -4.068) 9.280 14.084 ( -6.854 -7.254 -2.723) 10.345 14.180 ( -1.619 0.340 -7.041) 7.233 14.720 ( -4.192 0.175 3.168) 5.258 14.814 ( 3.819 0.108 10.682) 11.345 15.031 ( 2.931 1.855 -1.855) 3.934 15.113 ( -5.720 -2.394 1.065) 6.292 15.231 ( 1.862 -1.895 0.910) 2.808 15.316 ( 7.338 6.397 -3.401) 10.312 15.420 ( 7.534 2.672 -3.611) 8.772 15.567 ( 10.577 0.052 1.255) 10.652 15.869 ( 11.582 -12.523 -6.484) 18.249 16.413 ( -3.088 -0.071 13.574) 13.921 16.853 ( 4.676 -1.255 2.698) 5.542 17.502 ( 0.851 7.507 -2.857) 8.077 18.074 ( -8.135 -1.558 0.345) 8.290 18.890 ( -12.350 -2.476 4.535) 13.388 19.738 ( -2.357 0.147 1.925) 3.047 20.154 ( -6.000 -2.111 -4.411) 7.740 20.747 ( -1.219 1.744 5.578) 5.970 21.032 ( -8.410 -4.697 -4.285) 10.543 21.350 ( -3.131 0.548 1.272) 3.424 21.568 ( 0.757 1.623 1.792) 2.533 21.766 ( -8.509 -5.311 2.210) 10.271 22.019 ( -19.027 -9.422 -2.980) 21.440 22.785 ( 22.979 18.330 -0.162) 29.394 23.509 ( 19.705 3.533 -8.672) 21.817 23.711 ( 17.231 20.153 7.241) 27.486 24.711 ( 7.322 -21.855 -1.210) 23.080 25.175 ( -3.892 1.670 0.880) 4.325 25.260 ( -1.373 -1.873 -2.654) 3.526 25.448 ( -1.265 0.756 0.600) 1.591 25.848 ( -5.742 -1.872 0.938) 6.111 26.967 ( -0.448 0.259 -0.243) 0.572 27.138 ( -3.279 -0.386 -1.332) 3.560 27.257 ( 3.010 3.310 -1.625) 4.760 27.583 ( -0.899 -2.820 3.623) 4.678 ======================= Grid point 12 (8/78) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 3.808 -1.177 2.300) 4.602 1.684 ( -2.131 -0.774 0.033) 2.267 1.859 ( 12.273 -2.252 7.281) 14.447 1.990 ( 15.937 -4.862 8.717) 18.804 2.303 ( 14.383 8.050 -0.439) 16.488 2.400 ( -8.104 -4.462 -6.434) 11.269 2.735 ( 7.559 -2.800 14.561) 16.644 3.045 ( 0.220 5.122 -11.487) 12.579 3.127 ( 4.337 -3.788 -0.553) 5.785 3.199 ( 2.666 6.071 1.378) 6.772 3.432 ( 2.462 -0.080 -0.567) 2.527 3.497 ( 0.416 -0.482 -1.024) 1.206 3.711 ( -2.650 3.135 -2.012) 4.572 3.749 ( 6.050 2.032 -1.905) 6.660 3.987 ( -3.237 2.893 7.373) 8.556 4.091 ( 12.537 -6.348 1.584) 14.141 4.265 ( -2.581 -1.506 1.062) 3.171 4.293 ( -5.471 -4.393 -2.783) 7.548 4.597 ( 0.784 0.790 -7.934) 8.012 4.798 ( -0.870 0.317 -2.620) 2.779 4.814 ( -1.043 -1.593 -5.690) 6.000 4.934 ( -2.913 -0.189 -1.689) 3.373 5.076 ( -1.812 -0.250 2.254) 2.902 5.260 ( -0.769 -2.985 3.958) 5.016 5.468 ( -0.617 -1.221 6.052) 6.204 5.586 ( -6.534 -7.242 -2.222) 10.004 5.725 ( 2.569 -5.679 -1.943) 6.528 5.997 ( 1.898 -1.890 -6.157) 6.714 6.141 ( 6.190 4.917 0.978) 7.965 6.175 ( -0.536 0.468 -0.175) 0.733 6.331 ( -0.136 1.088 -0.980) 1.471 6.461 ( 10.171 2.635 6.843) 12.539 6.856 ( 6.155 0.028 -6.934) 9.272 6.994 ( 6.841 -2.292 -3.261) 7.917 7.097 ( 0.287 1.753 10.480) 10.629 7.260 ( -4.143 -1.795 -3.574) 5.758 7.429 ( 7.381 0.793 6.669) 9.979 7.493 ( 4.876 1.673 -0.583) 5.188 7.645 ( -2.373 5.336 -0.565) 5.867 7.924 ( 3.319 -5.400 8.824) 10.864 7.946 ( 5.355 -1.384 -7.436) 9.267 8.111 ( -1.098 -1.068 -4.703) 4.946 8.327 ( -1.699 2.228 3.642) 4.595 8.492 ( -3.069 -0.734 9.483) 9.995 8.753 ( -3.368 0.406 -1.184) 3.593 8.855 ( 3.699 8.754 0.700) 9.529 9.188 ( 0.549 5.074 -0.961) 5.193 9.511 ( 7.244 -7.141 2.404) 10.452 9.679 ( 1.174 -1.680 4.923) 5.332 9.876 ( -5.192 -0.523 -2.356) 5.725 9.929 ( -4.709 -2.241 -14.777) 15.671 10.325 ( -1.488 2.856 -3.017) 4.413 10.414 ( -0.465 3.395 0.258) 3.436 10.474 ( -6.418 8.738 -5.241) 12.042 10.668 ( -3.004 6.306 1.591) 7.164 10.746 ( -1.996 1.441 1.740) 3.015 11.214 ( -6.453 4.563 3.554) 8.665 11.299 ( -6.091 -5.185 0.778) 8.037 12.045 ( -11.607 -2.544 0.460) 11.892 12.255 ( -2.675 -2.664 0.351) 3.792 12.503 ( -2.954 -1.919 3.249) 4.792 12.546 ( -4.967 -7.954 -2.750) 9.772 12.797 ( -4.124 0.207 -3.004) 5.106 13.120 ( 1.068 8.989 2.153) 9.305 13.276 ( 2.562 1.793 -0.439) 3.157 13.719 ( 2.140 0.864 -2.146) 3.151 14.086 ( -5.653 -5.361 -2.822) 8.286 14.179 ( 0.327 -2.760 -2.310) 3.614 14.654 ( -6.819 -0.643 1.634) 7.042 14.895 ( 5.309 1.855 10.064) 11.529 15.034 ( 3.217 2.536 -1.764) 4.460 15.078 ( -5.931 -3.520 0.485) 6.914 15.259 ( 2.075 1.433 -1.044) 2.729 15.322 ( 9.963 7.734 -1.881) 12.752 15.467 ( 5.216 1.449 -1.280) 5.563 15.716 ( 6.890 -1.573 0.885) 7.123 16.117 ( 6.617 -6.102 -6.562) 11.139 16.427 ( -1.452 -0.978 8.797) 8.970 16.938 ( 2.332 -1.549 3.824) 4.739 17.434 ( 1.056 2.173 -2.716) 3.635 17.873 ( -8.312 8.026 -2.658) 11.856 18.884 ( -2.946 -6.437 2.228) 7.421 19.712 ( -1.741 0.086 2.033) 2.678 20.100 ( -6.963 -4.717 -3.942) 9.289 20.728 ( -0.726 1.273 6.059) 6.233 20.991 ( -9.513 -8.130 -4.416) 13.270 21.295 ( -4.855 0.056 3.255) 5.846 21.545 ( -2.420 0.211 0.627) 2.509 21.773 ( -4.460 -5.301 -0.802) 6.974 21.921 ( -16.189 -12.014 -1.871) 20.246 22.795 ( 23.115 21.323 -0.165) 31.449 23.329 ( 21.839 32.660 -1.149) 39.306 24.093 ( 14.861 -13.461 1.203) 20.087 24.948 ( -0.794 0.512 -1.080) 1.435 25.144 ( -0.850 -7.099 1.141) 7.240 25.263 ( -1.682 -1.973 -1.041) 2.794 25.408 ( -2.229 1.453 -0.135) 2.664 25.803 ( -6.296 -2.987 0.328) 6.977 26.963 ( 0.139 0.250 0.670) 0.729 27.101 ( -3.033 -1.281 -1.011) 3.444 27.256 ( 2.849 1.594 -1.498) 3.592 27.620 ( -0.739 -2.228 1.636) 2.861 ======================= Grid point 13 (9/78) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 8.997 -0.706 0.962) 9.076 1.657 ( -2.868 0.498 1.237) 3.163 1.971 ( 7.960 3.723 8.514) 12.235 2.131 ( -8.733 -1.769 -11.639) 14.658 2.326 ( 4.406 16.687 4.921) 17.946 2.501 ( 16.253 -6.812 6.501) 18.784 2.848 ( -6.314 -0.222 -0.578) 6.344 2.895 ( 3.170 1.917 -1.176) 3.887 3.029 ( -2.141 6.119 -3.706) 7.467 3.218 ( -7.016 -0.651 3.267) 7.767 3.438 ( -1.462 -3.493 -0.337) 3.801 3.548 ( 5.152 2.340 1.443) 5.839 3.618 ( -0.162 3.423 1.299) 3.664 3.813 ( 8.896 0.510 -3.967) 9.753 3.934 ( 1.884 3.349 2.625) 4.654 4.157 ( -5.433 -3.966 -7.350) 9.963 4.338 ( 0.953 2.366 0.735) 2.655 4.399 ( 3.300 -4.462 7.368) 9.224 4.552 ( 1.756 2.021 -4.024) 4.833 4.770 ( 0.490 1.768 -3.265) 3.745 4.825 ( -0.082 -0.099 -1.150) 1.157 4.896 ( -3.445 -2.670 -1.549) 4.626 5.032 ( -6.415 -1.607 3.749) 7.602 5.356 ( 2.760 -2.934 2.447) 4.713 5.465 ( -1.183 0.294 -0.286) 1.252 5.593 ( -5.618 -6.395 -2.434) 8.854 5.812 ( -0.160 -3.004 -1.955) 3.588 5.983 ( -2.959 0.674 -4.917) 5.778 6.120 ( 4.146 4.949 1.294) 6.584 6.248 ( 10.133 1.155 1.649) 10.331 6.340 ( -0.070 -3.675 0.050) 3.676 6.572 ( 12.000 6.853 7.565) 15.754 6.903 ( 2.834 0.484 -7.836) 8.347 7.054 ( 1.854 5.191 3.825) 6.709 7.104 ( 7.447 0.265 0.451) 7.466 7.308 ( -3.050 -7.138 1.701) 7.947 7.375 ( -5.526 6.931 -6.571) 11.034 7.492 ( -0.131 1.235 1.240) 1.755 7.556 ( 1.971 4.656 5.215) 7.264 7.969 ( -1.002 1.278 -4.096) 4.406 8.025 ( -1.343 -0.255 4.929) 5.115 8.096 ( -1.467 -0.939 0.327) 1.772 8.292 ( -2.109 1.206 0.532) 2.487 8.502 ( 0.418 -0.359 3.144) 3.192 8.707 ( -3.012 -1.713 -1.671) 3.847 8.818 ( 7.442 6.821 2.254) 10.343 9.142 ( 3.047 2.966 -1.255) 4.434 9.643 ( 1.899 -2.243 -0.540) 2.988 9.798 ( -7.090 4.041 -2.319) 8.484 9.817 ( 2.444 -4.022 -7.128) 8.542 9.907 ( 1.841 -6.554 3.991) 7.892 10.146 ( -0.149 1.812 -0.088) 1.820 10.351 ( -1.837 1.784 -1.699) 3.073 10.404 ( -0.012 0.029 -0.407) 0.408 10.559 ( -2.024 2.859 -1.597) 3.850 10.763 ( 0.646 -0.200 1.207) 1.383 11.091 ( -3.664 0.197 -2.277) 4.318 11.310 ( -4.665 -4.986 3.703) 7.768 11.980 ( -5.361 -5.354 0.325) 7.584 12.269 ( -0.832 -2.852 0.340) 2.991 12.518 ( -5.810 -5.915 3.720) 9.087 12.577 ( -3.297 -5.296 -3.792) 7.301 12.746 ( -3.722 -1.549 -0.717) 4.094 13.037 ( 2.158 6.162 1.145) 6.629 13.273 ( 1.027 1.911 0.212) 2.180 13.731 ( 0.774 0.518 0.186) 0.950 14.069 ( -4.793 -3.305 -3.198) 6.643 14.239 ( 1.090 -3.748 0.392) 3.923 14.569 ( -7.505 -1.220 -0.700) 7.636 14.963 ( 6.183 3.102 5.106) 8.598 15.037 ( -0.486 -0.090 5.452) 5.474 15.072 ( -0.967 -2.496 -1.790) 3.219 15.258 ( 4.364 3.609 -1.999) 6.005 15.338 ( 10.038 7.808 -1.688) 12.829 15.488 ( 1.239 1.853 -1.535) 2.706 15.777 ( 1.780 2.098 0.211) 2.760 16.195 ( -0.622 -0.425 1.046) 1.289 16.431 ( -1.195 0.200 -3.487) 3.691 16.965 ( -3.282 0.112 8.329) 8.953 17.464 ( 7.359 -0.051 -5.902) 9.433 17.693 ( -3.744 2.013 0.490) 4.279 18.954 ( 0.460 -3.993 -0.954) 4.131 19.709 ( -0.136 -0.606 2.099) 2.189 20.085 ( -6.274 -6.879 -2.608) 9.669 20.727 ( -0.030 0.595 5.253) 5.286 20.987 ( -9.541 -10.726 -4.368) 15.005 21.244 ( -3.500 0.160 2.899) 4.547 21.496 ( -6.755 -2.280 -0.864) 7.182 21.773 ( -5.420 -4.912 -1.312) 7.432 21.945 ( -8.159 -12.959 -0.224) 15.315 22.795 ( 23.686 21.281 -0.185) 31.842 23.213 ( 26.396 26.657 -0.622) 37.520 24.337 ( -0.044 -0.193 0.580) 0.613 24.849 ( -2.675 1.314 0.163) 2.985 25.244 ( -2.585 -3.932 -0.659) 4.751 25.267 ( -1.636 -1.658 -0.158) 2.334 25.357 ( -1.305 0.140 0.465) 1.393 25.773 ( -5.786 -4.121 0.208) 7.107 26.964 ( -0.289 -0.215 0.306) 0.473 27.094 ( -1.119 -1.795 0.768) 2.250 27.271 ( 2.696 1.050 -1.731) 3.372 27.636 ( -1.161 -1.141 0.566) 1.724 ======================= Grid point 14 (10/78) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -0.198 7.188 0.206) 7.194 1.586 ( 8.372 10.258 -0.828) 13.267 1.975 ( -1.555 5.264 -7.859) 9.586 2.027 ( -4.634 7.844 1.079) 9.174 2.064 ( 4.841 9.125 9.652) 14.138 2.673 ( -9.643 5.367 -3.591) 11.605 2.718 ( 1.103 3.042 3.376) 4.676 2.916 ( -2.098 -0.984 -3.564) 4.251 3.042 ( 6.310 -4.709 5.049) 9.354 3.138 ( -0.803 0.076 -2.877) 2.988 3.381 ( -2.475 8.222 1.037) 8.649 3.571 ( -5.005 -1.803 2.172) 5.747 3.579 ( -1.443 3.071 3.483) 4.862 3.917 ( 3.856 4.771 -4.639) 7.691 3.955 ( 9.937 -0.719 -3.029) 10.413 4.164 ( -0.468 1.967 -2.826) 3.475 4.204 ( 2.784 0.778 -1.816) 3.414 4.462 ( -1.805 -2.125 4.395) 5.204 4.649 ( 3.488 -5.817 4.937) 8.390 4.726 ( -7.728 1.128 -0.139) 7.812 4.760 ( -2.256 0.144 -0.727) 2.374 4.905 ( -1.625 -2.415 -4.731) 5.555 4.998 ( -4.212 -1.501 5.694) 7.240 5.321 ( -1.301 6.093 0.317) 6.238 5.474 ( -0.861 -0.486 -4.984) 5.081 5.611 ( -2.573 -3.228 -0.051) 4.128 5.812 ( -2.716 -3.786 -2.893) 5.485 5.926 ( -1.566 0.538 -0.825) 1.850 6.145 ( 8.599 5.457 3.629) 10.811 6.328 ( 1.456 -0.815 -0.283) 1.693 6.441 ( 7.935 -0.043 1.492) 8.074 6.636 ( 10.166 7.080 5.838) 13.695 6.866 ( 0.898 5.264 -3.162) 6.206 7.008 ( 1.108 4.583 -3.493) 5.868 7.060 ( -7.377 4.500 -8.263) 11.955 7.271 ( 0.093 0.902 6.881) 6.940 7.367 ( -0.111 4.177 0.430) 4.200 7.444 ( 1.698 -1.838 3.632) 4.410 7.582 ( 2.209 -0.656 0.932) 2.486 7.850 ( -6.525 4.888 -5.223) 9.683 7.953 ( -6.579 4.064 11.898) 14.190 8.065 ( -3.679 0.119 -0.170) 3.685 8.235 ( -2.182 0.301 -7.571) 7.885 8.531 ( 3.415 0.812 -1.626) 3.869 8.732 ( -1.862 -6.257 1.022) 6.607 8.858 ( 9.054 4.270 1.453) 10.115 9.159 ( 3.497 1.717 -1.100) 4.048 9.479 ( -10.196 12.086 -6.451) 17.077 9.720 ( 3.122 -2.396 -0.819) 4.020 9.877 ( -0.386 -4.957 -2.925) 5.769 10.094 ( 4.161 -9.370 9.478) 13.962 10.241 ( -3.118 0.907 -0.630) 3.308 10.329 ( -0.807 -0.484 1.517) 1.785 10.461 ( 7.279 -7.043 5.088) 11.334 10.541 ( 1.393 -2.947 -6.807) 7.547 10.767 ( 2.678 -1.151 -1.485) 3.272 11.107 ( -0.204 -5.015 -3.811) 6.302 11.352 ( -2.533 -5.929 3.941) 7.556 12.067 ( 0.137 -9.948 1.168) 10.017 12.328 ( 2.398 -3.723 -2.286) 4.984 12.524 ( -8.666 -7.067 3.681) 11.773 12.612 ( -0.641 -4.561 -2.727) 5.352 12.735 ( -2.931 -3.369 -0.962) 4.568 12.994 ( 2.575 4.410 1.175) 5.240 13.255 ( -0.287 1.001 1.175) 1.570 13.717 ( -0.323 2.209 2.048) 3.030 14.038 ( -4.070 -2.182 -2.877) 5.442 14.306 ( 0.830 -2.305 2.436) 3.455 14.492 ( -6.278 -2.514 -3.206) 7.484 14.998 ( 6.275 4.700 1.856) 8.057 15.073 ( -3.179 -5.402 5.296) 8.206 15.108 ( 4.256 0.964 2.145) 4.862 15.261 ( 4.598 3.319 -2.807) 6.327 15.348 ( 8.074 7.465 -1.708) 11.128 15.433 ( -0.127 4.734 -2.169) 5.209 15.703 ( -3.006 6.287 0.062) 6.969 16.114 ( -8.887 4.780 6.062) 11.772 16.381 ( -0.509 0.340 -10.645) 10.662 16.902 ( -5.246 2.771 6.832) 9.048 17.481 ( 5.086 7.501 -5.685) 10.698 17.823 ( 5.374 -15.418 3.500) 16.698 19.008 ( 2.197 -2.083 -3.110) 4.340 19.737 ( 1.251 -1.098 1.719) 2.393 20.114 ( -4.547 -7.386 -1.098) 8.743 20.741 ( 1.429 0.732 3.896) 4.214 21.025 ( -8.509 -12.459 -3.984) 15.604 21.217 ( -0.912 0.217 1.501) 1.770 21.433 ( -8.971 -4.262 -0.497) 9.945 21.782 ( -4.101 -5.634 -1.073) 7.050 22.049 ( -6.441 -13.488 0.291) 14.950 22.805 ( 23.561 20.821 -0.034) 31.443 23.258 ( 33.116 20.971 -1.277) 39.218 24.086 ( -16.102 14.255 0.258) 21.506 24.826 ( -8.481 -0.445 1.043) 8.556 25.196 ( -3.371 -1.052 -1.117) 3.703 25.267 ( -1.599 -1.828 -0.413) 2.463 25.391 ( 0.842 -2.276 1.281) 2.744 25.771 ( -4.427 -4.798 0.308) 6.535 26.960 ( -1.204 -0.630 -0.721) 1.538 27.129 ( 1.630 -1.388 2.917) 3.618 27.282 ( 2.421 1.462 -1.962) 3.442 27.624 ( -1.927 -0.037 -0.304) 1.951 ======================= Grid point 15 (11/78) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -4.807 20.054 -7.877) 22.076 1.413 ( 5.485 28.541 6.221) 29.722 1.847 ( -3.193 11.020 -1.557) 11.578 1.921 ( 1.143 1.328 -0.877) 1.960 2.133 ( 9.881 5.015 2.084) 11.275 2.394 ( -12.095 8.620 -0.913) 14.880 2.493 ( -10.422 10.968 -2.420) 15.322 2.914 ( 2.134 6.486 -1.354) 6.961 3.110 ( -2.823 3.970 5.519) 7.362 3.165 ( 2.262 -0.704 -7.064) 7.451 3.227 ( -0.276 3.476 5.144) 6.215 3.510 ( -4.338 0.209 7.088) 8.312 3.535 ( -2.864 -3.144 -3.823) 5.718 3.856 ( 7.710 5.836 -4.958) 10.867 4.044 ( 3.734 0.357 0.254) 3.759 4.224 ( 7.592 0.035 0.025) 7.592 4.315 ( 0.445 -5.934 2.263) 6.366 4.463 ( -8.090 -3.350 -3.007) 9.258 4.581 ( -5.018 -0.869 3.563) 6.216 4.777 ( 0.874 -3.382 -3.144) 4.699 4.798 ( -0.427 -3.704 7.352) 8.244 4.884 ( 0.549 -3.772 -3.598) 5.242 5.007 ( -1.029 -1.566 4.043) 4.456 5.234 ( 0.607 4.219 0.270) 4.271 5.386 ( -4.854 3.504 -4.684) 7.602 5.602 ( -2.179 -1.072 0.267) 2.443 5.863 ( 2.182 -0.760 0.392) 2.343 5.926 ( -1.474 -5.114 -1.368) 5.495 6.198 ( 8.924 5.082 3.569) 10.872 6.331 ( -0.367 1.465 -0.630) 1.637 6.481 ( 3.182 6.036 -1.183) 6.925 6.657 ( -0.001 8.020 1.762) 8.211 6.769 ( 4.451 3.715 -0.895) 5.866 6.921 ( -2.966 1.199 -6.169) 6.949 6.926 ( -1.410 5.703 -1.341) 6.026 7.214 ( 0.226 5.575 0.863) 5.646 7.287 ( 1.180 6.289 7.358) 9.751 7.542 ( -0.507 -0.991 1.363) 1.760 7.580 ( -1.565 1.285 -0.511) 2.088 7.666 ( -4.207 3.797 -2.950) 6.388 7.892 ( -2.357 0.143 13.009) 13.221 8.000 ( -2.819 1.136 -4.733) 5.625 8.177 ( -3.966 -1.801 -11.658) 12.445 8.544 ( 2.023 2.189 -1.132) 3.188 8.839 ( 1.544 -6.459 1.818) 6.886 8.936 ( 7.875 1.883 1.445) 8.225 9.139 ( -1.503 2.656 -5.421) 6.221 9.190 ( -6.938 6.228 -0.241) 9.326 9.828 ( 5.064 -3.535 1.479) 6.351 9.928 ( -1.221 -3.659 -1.662) 4.200 10.142 ( -3.922 1.065 0.742) 4.132 10.203 ( -4.144 1.853 1.372) 4.742 10.426 ( 3.984 -10.173 11.292) 15.713 10.572 ( 0.849 -3.913 -4.667) 6.149 10.632 ( 2.335 -2.709 -3.360) 4.907 10.969 ( 10.333 -9.339 -1.180) 13.978 11.164 ( -1.773 -5.583 -1.808) 6.130 11.441 ( 0.039 -6.390 2.130) 6.736 12.242 ( 1.126 -9.503 2.981) 10.023 12.398 ( 2.830 -0.836 -4.746) 5.589 12.551 ( -5.690 -9.066 3.975) 11.418 12.674 ( 0.526 -4.177 -1.856) 4.601 12.754 ( -3.216 -5.537 -2.784) 6.982 12.991 ( 3.062 1.586 0.996) 3.589 13.268 ( 1.073 -2.507 1.707) 3.217 13.678 ( -0.128 3.243 3.022) 4.434 14.016 ( -2.887 -2.566 -1.610) 4.185 14.333 ( 0.529 0.439 0.762) 1.026 14.467 ( -3.822 -4.320 -1.722) 6.020 15.022 ( 6.508 4.681 3.055) 8.579 15.122 ( -1.052 -3.269 1.162) 3.626 15.170 ( 4.171 0.062 4.753) 6.324 15.230 ( -0.844 6.859 -4.227) 8.101 15.288 ( -0.765 1.595 -2.366) 2.954 15.406 ( 9.447 7.624 -1.224) 12.201 15.536 ( -4.008 8.360 2.462) 9.592 15.853 ( -14.997 8.560 2.036) 17.388 16.355 ( 0.261 -0.596 -7.389) 7.418 16.809 ( -3.155 3.366 2.751) 5.371 17.395 ( 1.119 7.345 -2.957) 7.997 18.192 ( 6.977 -18.404 2.392) 19.827 19.082 ( 4.073 -4.378 -3.157) 6.762 19.776 ( 1.242 -0.885 0.753) 1.701 20.167 ( -2.541 -6.147 -0.014) 6.651 20.771 ( 2.465 0.097 2.252) 3.341 21.095 ( -5.512 -10.568 -1.893) 12.069 21.226 ( 2.003 -0.178 -0.217) 2.023 21.376 ( -8.843 -4.505 0.377) 9.932 21.826 ( -3.259 -7.838 -1.137) 8.565 22.161 ( -5.881 -12.518 0.365) 13.836 22.804 ( 21.472 21.513 0.271) 30.396 23.475 ( 26.397 14.186 -7.183) 30.816 23.593 ( -6.078 18.411 5.342) 20.111 24.538 ( -28.232 4.230 0.984) 28.564 25.226 ( 2.184 -2.367 -1.619) 3.605 25.275 ( -1.782 -2.062 1.611) 3.166 25.432 ( 0.525 -1.555 0.450) 1.701 25.797 ( -2.847 -5.254 0.408) 5.990 26.947 ( -1.320 -0.320 -1.036) 1.709 27.188 ( 2.648 -0.714 3.400) 4.368 27.280 ( 2.013 2.182 -1.730) 3.436 27.585 ( -2.440 0.716 -1.089) 2.766 ======================= Grid point 16 (12/78) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -0.000 24.601 0.000) 24.601 1.042 ( -0.000 32.238 0.000) 32.238 1.319 ( -0.000 39.142 0.000) 39.142 1.943 ( 0.000 -0.629 -0.000) 0.629 2.133 ( -0.000 6.504 0.000) 6.504 2.197 ( -0.000 7.503 0.000) 7.503 2.301 ( -0.000 2.927 0.000) 2.927 2.770 ( -0.000 12.106 0.000) 12.106 2.952 ( -0.000 6.431 0.000) 6.431 3.215 ( 0.000 -1.899 -0.000) 1.899 3.247 ( -0.000 0.378 0.000) 0.378 3.511 ( 0.000 -0.508 -0.000) 0.508 3.587 ( 0.000 -9.759 -0.000) 9.759 3.896 ( -0.000 3.411 0.000) 3.411 4.056 ( -0.000 1.834 0.000) 1.834 4.260 ( -0.000 0.060 0.000) 0.060 4.337 ( 0.000 -4.007 -0.000) 4.007 4.445 ( 0.000 -3.392 -0.000) 3.392 4.611 ( 0.000 -2.332 -0.000) 2.332 4.793 ( -0.000 0.210 0.000) 0.210 4.862 ( 0.000 -6.398 -0.000) 6.398 5.007 ( -0.000 2.015 0.000) 2.015 5.044 ( 0.000 -10.672 -0.000) 10.672 5.208 ( -0.000 1.894 0.000) 1.894 5.256 ( -0.000 4.606 0.000) 4.606 5.615 ( 0.000 -2.825 -0.000) 2.825 5.872 ( -0.000 1.166 0.000) 1.166 6.014 ( 0.000 -6.673 -0.000) 6.673 6.236 ( -0.000 3.403 0.000) 3.403 6.237 ( -0.000 9.752 0.000) 9.752 6.383 ( -0.000 5.745 0.000) 5.745 6.519 ( -0.000 4.109 0.000) 4.109 6.745 ( -0.000 9.269 0.000) 9.269 6.830 ( -0.000 6.176 0.000) 6.176 6.884 ( 0.000 -2.228 -0.000) 2.228 7.191 ( -0.000 1.890 0.000) 1.890 7.221 ( -0.000 2.725 0.000) 2.725 7.468 ( -0.000 5.786 0.000) 5.786 7.544 ( 0.000 -0.497 -0.000) 0.497 7.650 ( 0.000 -0.418 -0.000) 0.418 7.915 ( -0.000 0.236 0.000) 0.236 7.943 ( -0.000 0.946 0.000) 0.946 8.125 ( 0.000 -1.538 -0.000) 1.538 8.519 ( -0.000 2.116 0.000) 2.116 8.908 ( -0.000 1.289 0.000) 1.289 8.959 ( -0.000 2.969 0.000) 2.969 9.089 ( -0.000 2.748 0.000) 2.748 9.126 ( 0.000 -7.002 -0.000) 7.002 9.933 ( 0.000 -2.842 -0.000) 2.842 9.943 ( 0.000 -1.558 -0.000) 1.558 10.108 ( -0.000 2.268 0.000) 2.268 10.127 ( -0.000 0.257 0.000) 0.257 10.619 ( 0.000 -8.527 -0.000) 8.527 10.620 ( 0.000 -1.549 -0.000) 1.549 10.717 ( 0.000 -7.062 -0.000) 7.062 11.133 ( 0.000 -3.478 -0.000) 3.478 11.251 ( 0.000 -7.267 -0.000) 7.267 11.534 ( 0.000 -4.572 -0.000) 4.572 12.366 ( 0.000 -5.173 -0.000) 5.173 12.390 ( -0.000 3.377 0.000) 3.377 12.680 ( -0.000 1.192 0.000) 1.192 12.685 ( 0.000 -11.332 -0.000) 11.332 12.831 ( 0.000 -7.539 -0.000) 7.539 13.010 ( 0.000 -0.584 -0.000) 0.584 13.355 ( 0.000 -5.037 -0.000) 5.037 13.648 ( -0.000 1.434 0.000) 1.434 14.033 ( 0.000 -3.196 -0.000) 3.196 14.329 ( -0.000 1.040 0.000) 1.040 14.501 ( 0.000 -4.831 -0.000) 4.831 15.027 ( -0.000 11.486 0.000) 11.486 15.068 ( -0.000 0.943 0.000) 0.943 15.144 ( -0.000 1.072 0.000) 1.072 15.227 ( -0.000 0.588 0.000) 0.588 15.272 ( 0.000 -2.029 -0.000) 2.029 15.336 ( -0.000 7.290 0.000) 7.290 15.462 ( -0.000 6.276 0.000) 6.276 15.553 ( -0.000 7.879 0.000) 7.879 16.353 ( 0.000 -0.519 -0.000) 0.519 16.744 ( -0.000 2.762 0.000) 2.762 17.285 ( -0.000 6.542 0.000) 6.542 18.505 ( 0.000 -13.868 -0.000) 13.868 19.230 ( 0.000 -10.289 -0.000) 10.289 19.795 ( 0.000 -0.274 -0.000) 0.274 20.224 ( 0.000 -3.792 -0.000) 3.792 20.814 ( 0.000 -2.222 -0.000) 2.222 21.167 ( 0.000 -4.754 -0.000) 4.754 21.253 ( -0.000 0.747 0.000) 0.747 21.359 ( 0.000 -3.954 -0.000) 3.954 21.941 ( 0.000 -11.836 -0.000) 11.836 22.280 ( 0.000 -9.921 -0.000) 9.921 22.658 ( -0.000 22.823 0.000) 22.823 23.095 ( -0.000 16.680 0.000) 16.680 23.929 ( -0.000 6.672 0.000) 6.672 23.977 ( -0.000 6.400 0.000) 6.400 25.268 ( 0.000 -0.956 -0.000) 0.956 25.299 ( 0.000 -2.365 -0.000) 2.365 25.454 ( 0.000 -0.833 -0.000) 0.833 25.855 ( 0.000 -5.096 -0.000) 5.096 26.931 ( -0.000 0.489 0.000) 0.489 27.222 ( -0.000 0.040 0.000) 0.040 27.258 ( -0.000 2.750 0.000) 2.750 27.549 ( -0.000 0.644 0.000) 0.644 ======================= Grid point 19 (13/78) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -1.369 0.000 -0.145) 1.377 1.591 ( -0.656 0.000 2.616) 2.697 1.848 ( 20.433 -0.000 19.100) 27.970 1.956 ( 9.262 -0.000 4.373) 10.243 2.291 ( -9.028 0.000 -5.398) 10.519 2.501 ( 14.107 -0.000 -8.836) 16.646 2.696 ( 10.663 -0.000 15.566) 18.868 2.951 ( 18.258 -0.000 8.642) 20.200 3.173 ( 7.172 -0.000 -10.974) 13.110 3.374 ( -4.811 0.000 -5.697) 7.457 3.432 ( -0.813 0.000 -10.149) 10.181 3.551 ( 10.574 -0.000 6.489) 12.407 3.595 ( 6.629 -0.000 8.258) 10.590 3.877 ( 0.552 -0.000 -2.765) 2.820 3.894 ( 15.019 -0.000 -1.381) 15.082 4.112 ( 3.554 -0.000 -1.361) 3.806 4.193 ( -13.168 0.000 -1.493) 13.252 4.293 ( -5.566 0.000 1.930) 5.891 4.605 ( -5.364 0.000 0.424) 5.381 4.705 ( -2.935 0.000 -14.186) 14.486 4.798 ( 0.697 -0.000 2.745) 2.832 4.951 ( 4.397 -0.000 -5.949) 7.398 5.042 ( -3.714 0.000 3.758) 5.283 5.253 ( -10.984 0.000 -2.355) 11.234 5.422 ( 3.085 -0.000 10.842) 11.273 5.534 ( 4.372 -0.000 -3.648) 5.694 5.576 ( -2.505 0.000 0.584) 2.572 5.942 ( 0.684 -0.000 -8.028) 8.057 6.180 ( 2.463 -0.000 -0.213) 2.472 6.226 ( 3.797 -0.000 1.529) 4.094 6.352 ( -4.205 0.000 -4.154) 5.911 6.523 ( 17.097 -0.000 10.517) 20.073 6.848 ( 1.140 -0.000 -6.199) 6.303 6.977 ( 14.177 -0.000 -1.561) 14.263 7.097 ( 4.179 -0.000 10.172) 10.997 7.252 ( -7.635 0.000 -10.536) 13.012 7.462 ( 5.394 -0.000 0.078) 5.395 7.514 ( 13.439 -0.000 10.256) 16.906 7.718 ( 6.279 -0.000 12.249) 13.764 7.809 ( -1.446 0.000 0.118) 1.451 7.960 ( 2.152 -0.000 -10.089) 10.316 8.066 ( -0.546 0.000 -5.187) 5.215 8.390 ( -4.219 0.000 6.000) 7.335 8.454 ( -2.564 0.000 8.047) 8.446 8.749 ( -7.288 0.000 0.729) 7.324 9.104 ( 8.692 -0.000 4.897) 9.977 9.179 ( 5.136 -0.000 -2.322) 5.637 9.455 ( -4.688 0.000 -1.349) 4.879 9.652 ( -1.178 0.000 8.884) 8.961 9.847 ( -3.642 0.000 -14.901) 15.340 9.899 ( -1.929 0.000 -8.212) 8.435 10.369 ( -0.893 0.000 -2.100) 2.282 10.470 ( -0.864 0.000 -1.405) 1.649 10.593 ( -2.596 0.000 -5.376) 5.970 10.754 ( -5.235 0.000 3.865) 6.507 11.005 ( -9.908 0.000 4.554) 10.904 11.071 ( -10.924 0.000 -3.708) 11.536 11.287 ( -8.075 0.000 4.832) 9.411 11.954 ( -12.419 0.000 -1.622) 12.525 12.170 ( -4.631 0.000 5.791) 7.415 12.429 ( -2.736 0.000 -7.402) 7.891 12.507 ( -1.136 0.000 6.331) 6.432 12.794 ( -5.811 0.000 -5.534) 8.024 13.269 ( -4.460 0.000 2.670) 5.198 13.329 ( 4.815 -0.000 -0.172) 4.818 13.868 ( 0.634 -0.000 0.742) 0.977 13.879 ( -5.233 0.000 -6.833) 8.607 14.122 ( -1.647 0.000 -4.853) 5.125 14.642 ( -7.241 0.000 2.426) 7.637 14.923 ( 5.220 -0.000 11.720) 12.830 15.000 ( -6.782 0.000 -1.479) 6.941 15.086 ( 3.038 -0.000 -1.133) 3.242 15.238 ( 1.215 -0.000 1.821) 2.189 15.471 ( 7.115 -0.000 -5.661) 9.092 15.548 ( 10.151 -0.000 1.835) 10.315 15.816 ( 11.974 -0.000 -10.284) 15.785 15.854 ( 11.858 -0.000 4.131) 12.557 16.409 ( -2.763 0.000 11.135) 11.472 16.917 ( 4.467 -0.000 2.556) 5.147 17.475 ( -7.775 0.000 -7.402) 10.735 18.044 ( -0.302 0.000 1.760) 1.785 18.727 ( -6.888 0.000 3.037) 7.528 19.715 ( -2.409 0.000 3.448) 4.207 20.011 ( -9.635 0.000 -4.592) 10.674 20.776 ( -0.202 0.000 7.794) 7.797 20.817 ( -13.201 0.000 -5.320) 14.233 21.289 ( -5.764 0.000 4.000) 7.016 21.570 ( -5.904 0.000 -0.875) 5.969 21.669 ( -1.162 0.000 0.579) 1.298 21.749 ( -8.028 0.000 -3.814) 8.888 23.311 ( 24.602 -0.000 1.247) 24.634 23.653 ( 19.253 -0.000 -3.932) 19.650 24.371 ( 13.395 -0.000 -2.322) 13.595 24.441 ( 8.675 -0.000 2.157) 8.939 25.154 ( -3.990 0.000 1.528) 4.272 25.192 ( -3.654 0.000 -2.039) 4.184 25.432 ( -2.473 0.000 0.774) 2.592 25.737 ( -8.132 0.000 0.984) 8.192 26.975 ( 0.841 -0.000 1.128) 1.407 27.077 ( -4.219 0.000 -1.605) 4.514 27.305 ( 1.299 -0.000 -3.679) 3.902 27.562 ( -0.156 0.000 3.744) 3.747 ======================= Grid point 20 (14/78) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 1.513 -4.850 1.350) 5.257 1.600 ( -0.692 -2.569 0.002) 2.660 1.967 ( -7.297 -3.091 -6.386) 10.178 2.111 ( 11.258 2.459 5.214) 12.648 2.360 ( 12.867 -0.762 18.631) 22.655 2.641 ( 12.375 1.336 -5.058) 13.435 2.887 ( 8.266 0.539 16.510) 18.472 3.028 ( -6.690 7.770 -9.073) 13.691 3.141 ( 0.305 -0.934 -2.090) 2.309 3.270 ( -9.886 -3.881 -11.199) 15.435 3.305 ( -9.179 3.240 -2.521) 10.056 3.610 ( 9.752 4.781 4.133) 11.621 3.739 ( 1.977 1.878 -1.858) 3.300 3.920 ( 5.342 -2.755 2.993) 6.715 3.934 ( -2.529 3.041 2.871) 4.887 4.128 ( -2.940 1.298 -1.484) 3.540 4.276 ( 15.918 -0.267 7.138) 17.447 4.327 ( 10.255 -1.427 0.191) 10.355 4.605 ( 2.897 -0.926 -3.256) 4.456 4.701 ( 2.621 -4.961 -10.344) 11.768 4.835 ( 2.922 0.489 0.490) 3.003 4.917 ( -2.675 3.762 -1.940) 5.007 5.010 ( -8.974 -0.199 -0.514) 8.991 5.159 ( 0.270 -6.423 -3.230) 7.195 5.496 ( 1.708 0.014 7.916) 8.098 5.514 ( 0.072 2.051 3.821) 4.337 5.671 ( 3.830 -5.850 -1.714) 7.200 5.943 ( 0.020 -2.489 -6.273) 6.748 6.198 ( 1.461 0.744 -3.933) 4.261 6.273 ( -3.974 -0.183 -1.884) 4.402 6.291 ( 6.345 1.390 2.041) 6.809 6.737 ( 10.583 2.938 9.516) 14.532 6.911 ( 9.788 0.129 -3.872) 10.527 7.132 ( 4.849 -1.202 -2.715) 5.686 7.142 ( 1.312 1.016 1.946) 2.557 7.166 ( 3.080 0.610 -4.049) 5.124 7.492 ( 0.573 0.097 -0.588) 0.827 7.621 ( -3.248 5.883 -0.601) 6.746 7.718 ( 4.379 5.228 8.078) 10.571 7.897 ( 1.869 -6.033 9.028) 11.018 7.963 ( 2.543 -1.031 -8.301) 8.743 8.066 ( 0.691 -1.119 -4.208) 4.409 8.348 ( -2.249 2.205 5.674) 6.490 8.465 ( -1.348 -1.525 4.868) 5.277 8.664 ( -6.159 -1.719 0.893) 6.456 9.108 ( 8.388 10.590 2.190) 13.685 9.279 ( 3.103 3.711 0.192) 4.842 9.466 ( 2.345 -7.233 0.856) 7.652 9.686 ( 1.357 -2.668 3.549) 4.642 9.771 ( -1.871 -1.334 -9.873) 10.137 9.856 ( -0.941 -0.011 -6.802) 6.867 10.314 ( -4.854 2.577 -2.544) 6.056 10.433 ( -2.121 1.620 -1.086) 2.882 10.478 ( -5.964 3.798 -5.360) 8.873 10.695 ( -7.134 7.004 0.555) 10.013 10.750 ( -1.976 1.908 2.262) 3.559 11.054 ( -11.639 -9.733 -0.516) 15.181 11.173 ( -8.470 1.015 5.150) 9.965 11.816 ( -11.523 -4.177 -0.474) 12.266 12.155 ( -4.849 -3.922 4.190) 7.513 12.366 ( -5.178 -2.021 -3.311) 6.470 12.531 ( 2.029 0.593 3.112) 3.762 12.695 ( -7.036 -1.349 -3.941) 8.176 13.199 ( -2.382 3.420 1.662) 4.487 13.363 ( 3.316 2.939 0.262) 4.438 13.763 ( 0.527 2.858 -3.467) 4.524 13.953 ( -0.435 -4.656 -1.060) 4.795 14.126 ( 0.718 -2.803 -2.676) 3.941 14.545 ( -8.283 -0.445 1.983) 8.529 14.917 ( -7.642 -3.050 0.716) 8.259 15.022 ( 4.370 -0.033 7.114) 8.349 15.102 ( 2.522 2.337 -0.871) 3.547 15.286 ( 2.669 -1.528 1.518) 3.430 15.521 ( 6.027 2.570 -4.039) 7.697 15.654 ( 10.444 6.121 1.261) 12.171 15.852 ( 9.551 5.160 -2.552) 11.151 16.100 ( 7.021 -6.079 -2.890) 9.726 16.414 ( -1.938 -0.855 7.993) 8.269 16.972 ( 1.897 0.677 3.499) 4.037 17.358 ( -7.137 -3.395 -5.634) 9.706 17.960 ( -0.311 9.514 -1.213) 9.596 18.763 ( 1.235 -6.996 1.272) 7.217 19.697 ( -1.681 -0.077 3.862) 4.213 19.882 ( -11.476 -4.680 -3.586) 12.902 20.649 ( -12.754 -4.764 -3.633) 14.092 20.806 ( -0.503 -0.528 7.179) 7.216 21.236 ( -4.172 -0.433 3.540) 5.489 21.436 ( -10.506 -1.339 -5.217) 11.806 21.698 ( -0.664 -3.213 -0.508) 3.320 21.708 ( -0.115 -1.105 -0.404) 1.182 23.438 ( 23.209 19.655 0.590) 30.419 23.989 ( 17.784 4.396 -4.979) 18.984 24.192 ( 15.126 12.447 3.665) 19.928 24.871 ( 3.892 -13.476 -1.410) 14.098 25.050 ( -4.493 0.782 0.624) 4.603 25.180 ( -3.935 -3.937 0.180) 5.569 25.383 ( -4.053 0.735 0.276) 4.129 25.639 ( -9.571 -3.195 0.560) 10.106 26.981 ( -0.395 1.319 0.842) 1.614 27.035 ( -1.969 -1.956 0.125) 2.778 27.297 ( 1.052 0.758 -3.684) 3.906 27.587 ( -0.064 -1.549 2.292) 2.767 ======================= Grid point 21 (15/78) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 8.900 -6.889 4.071) 11.969 1.659 ( 5.101 -1.729 0.831) 5.450 1.891 ( -7.067 -5.564 -12.114) 15.088 2.208 ( 8.136 6.441 8.758) 13.578 2.514 ( -5.197 5.550 13.217) 15.248 2.661 ( -8.767 -1.156 -8.969) 12.595 2.823 ( 14.376 7.083 -2.561) 16.230 2.943 ( -7.377 0.270 4.914) 8.868 3.033 ( -6.970 4.617 -4.404) 9.449 3.160 ( -0.577 -0.671 2.129) 2.306 3.304 ( -2.365 -7.971 0.935) 8.367 3.661 ( 0.613 5.667 2.263) 6.133 3.704 ( 5.918 3.772 0.234) 7.022 3.943 ( 4.672 0.669 3.568) 5.916 4.042 ( 3.214 -0.192 -2.811) 4.274 4.082 ( 7.139 1.678 -0.802) 7.377 4.377 ( 0.288 1.916 0.549) 2.014 4.465 ( 8.206 1.892 0.039) 8.422 4.604 ( 1.391 3.889 -4.218) 5.904 4.777 ( -6.888 2.185 1.487) 7.378 4.806 ( 2.512 -0.367 -7.436) 7.857 4.843 ( 0.590 0.759 -1.481) 1.766 4.935 ( -2.851 -1.932 4.907) 5.995 5.324 ( 5.582 -7.596 -1.996) 9.635 5.481 ( -1.144 1.746 1.309) 2.464 5.542 ( 2.297 1.426 4.526) 5.272 5.744 ( -2.272 -1.919 -3.406) 4.521 5.942 ( -1.486 -0.027 -2.743) 3.119 6.222 ( 2.680 -2.973 -0.547) 4.040 6.257 ( 0.529 -0.901 1.280) 1.652 6.393 ( 7.730 -0.942 0.687) 7.818 6.822 ( 6.753 4.421 5.020) 9.505 6.975 ( 6.143 2.595 -4.683) 8.148 7.111 ( -5.201 0.274 3.658) 6.365 7.188 ( -1.012 0.980 -5.048) 5.241 7.261 ( 11.793 0.347 -0.925) 11.834 7.416 ( -1.706 6.548 -3.693) 7.709 7.499 ( 0.293 0.644 0.950) 1.184 7.709 ( 3.233 7.691 7.262) 11.061 7.943 ( -3.291 -0.619 -1.805) 3.804 7.993 ( -2.404 -0.869 0.830) 2.687 8.076 ( -1.138 0.071 2.029) 2.327 8.284 ( -2.727 2.378 0.345) 3.634 8.486 ( -0.795 -2.247 1.138) 2.641 8.639 ( -2.732 -1.743 1.644) 3.634 9.077 ( 9.560 9.752 1.614) 13.751 9.263 ( 5.741 4.745 0.384) 7.458 9.604 ( -0.136 -6.704 5.806) 8.870 9.693 ( -0.063 -0.859 -11.349) 11.382 9.792 ( -2.909 1.128 -9.349) 9.856 9.892 ( 2.311 -3.624 7.590) 8.722 10.172 ( 0.669 0.525 0.049) 0.852 10.364 ( -1.376 3.075 -0.774) 3.457 10.388 ( -2.212 -0.732 -2.543) 3.449 10.524 ( -5.642 2.026 -3.017) 6.711 10.771 ( 0.191 -0.268 1.279) 1.321 10.989 ( -8.565 -3.793 -1.466) 9.481 11.130 ( -7.102 -7.180 4.066) 10.887 11.774 ( -7.226 -8.184 -0.725) 10.941 12.176 ( -4.246 -5.698 4.020) 8.164 12.334 ( -4.963 -4.045 -2.073) 6.730 12.555 ( 1.666 0.439 1.038) 2.012 12.635 ( -5.521 -3.447 -1.589) 6.699 13.125 ( -0.472 4.136 0.615) 4.208 13.340 ( 1.405 4.230 0.255) 4.464 13.750 ( 0.734 0.273 -1.167) 1.405 13.990 ( -0.001 -1.269 -1.255) 1.785 14.195 ( 2.026 -3.998 -0.477) 4.507 14.448 ( -7.652 -1.004 0.423) 7.729 14.889 ( -6.381 -5.989 0.812) 8.789 15.092 ( 1.107 -0.127 0.123) 1.121 15.104 ( 4.721 1.835 4.751) 6.945 15.339 ( 3.057 0.564 0.137) 3.112 15.528 ( 3.144 3.815 -3.470) 6.040 15.685 ( 12.308 9.949 0.411) 15.832 15.873 ( 4.193 5.337 -0.721) 6.826 16.184 ( -0.848 0.049 2.078) 2.245 16.407 ( -1.527 0.648 -2.459) 2.967 16.962 ( -2.669 1.687 7.142) 7.809 17.393 ( -0.481 -10.648 -4.116) 11.426 17.805 ( 1.912 11.070 -1.648) 11.354 18.899 ( 3.239 -5.255 -0.726) 6.216 19.702 ( -0.387 -1.192 2.966) 3.220 19.831 ( -9.954 -9.581 -1.914) 13.948 20.592 ( -10.425 -10.301 -2.788) 14.919 20.823 ( -0.045 0.692 6.430) 6.467 21.207 ( -2.481 -0.639 1.718) 3.085 21.317 ( -8.868 -3.012 -5.133) 10.681 21.708 ( -0.230 -0.796 -0.111) 0.836 21.769 ( -0.159 -5.352 -0.101) 5.355 23.451 ( 23.342 20.936 0.548) 31.360 23.948 ( 23.290 23.813 -2.607) 33.410 24.346 ( 0.852 1.269 1.777) 2.344 24.828 ( -4.386 2.330 0.145) 4.968 25.131 ( -3.233 -4.752 -1.309) 5.895 25.193 ( -3.396 -3.557 0.425) 4.936 25.319 ( -3.234 -1.698 0.680) 3.715 25.595 ( -7.244 -6.659 0.250) 9.843 26.945 ( -2.130 -0.021 -0.827) 2.285 27.073 ( 1.476 -1.975 2.992) 3.877 27.296 ( 0.960 -0.245 -3.565) 3.700 27.609 ( -0.545 -0.915 1.214) 1.615 ======================= Grid point 22 (16/78) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 1.974 5.749 4.432) 7.522 1.831 ( 14.438 0.686 -0.510) 14.463 1.875 ( 0.561 -4.061 -8.138) 9.112 2.172 ( -15.203 8.796 -2.499) 17.741 2.220 ( 3.579 3.078 6.975) 8.422 2.658 ( -4.191 5.503 1.924) 7.180 2.749 ( -8.992 1.349 5.364) 10.557 2.816 ( 1.713 2.469 -6.032) 6.739 3.138 ( 9.720 -4.908 1.972) 11.066 3.175 ( 3.099 0.945 0.302) 3.254 3.365 ( -3.751 -3.889 0.779) 5.458 3.559 ( -2.410 7.024 1.364) 7.550 3.645 ( -1.608 8.198 1.307) 8.456 3.956 ( 0.405 1.301 -6.288) 6.434 4.099 ( 2.897 0.476 2.547) 3.886 4.201 ( 12.013 3.020 0.625) 12.403 4.323 ( 0.452 1.684 -3.271) 3.707 4.438 ( 0.928 5.086 -5.238) 7.359 4.578 ( -6.029 0.518 4.257) 7.398 4.680 ( 0.878 0.253 5.371) 5.448 4.804 ( 2.220 2.532 -1.866) 3.849 4.851 ( -0.801 -2.273 -3.917) 4.599 4.916 ( -4.884 -0.465 3.174) 5.843 5.395 ( 0.009 5.424 0.743) 5.475 5.441 ( -0.986 0.148 -2.720) 2.897 5.602 ( 3.093 -2.248 3.270) 5.031 5.693 ( -3.160 -2.722 -5.755) 7.107 5.913 ( -1.813 0.132 0.916) 2.036 6.274 ( -1.586 -3.124 -0.176) 3.508 6.325 ( 6.423 2.600 4.791) 8.424 6.514 ( 4.081 -3.894 -1.584) 5.859 6.831 ( 3.821 4.115 3.790) 6.774 6.964 ( -2.140 7.217 -5.076) 9.079 6.998 ( -3.955 2.785 -5.778) 7.536 7.091 ( 2.769 5.077 1.160) 5.898 7.352 ( 2.087 3.826 1.323) 4.555 7.431 ( 4.306 -3.774 2.405) 6.211 7.528 ( 8.192 4.998 0.718) 9.623 7.645 ( 1.475 5.712 2.381) 6.362 7.829 ( -8.517 6.999 -2.122) 11.226 7.886 ( -8.217 -0.995 4.126) 9.248 8.065 ( -0.657 1.406 2.918) 3.305 8.217 ( -1.067 2.603 -4.345) 5.176 8.541 ( 1.315 -5.477 -1.733) 5.893 8.632 ( -2.069 -0.869 1.371) 2.629 9.098 ( 11.269 7.638 1.540) 13.700 9.271 ( 4.425 5.387 0.057) 6.972 9.485 ( -11.836 10.646 -3.467) 16.293 9.701 ( 1.099 -3.615 1.119) 3.941 9.775 ( 0.659 -5.875 -6.440) 8.743 10.034 ( 3.239 -8.890 6.300) 11.367 10.234 ( -0.893 2.517 -0.249) 2.682 10.343 ( 0.119 2.313 1.723) 2.887 10.443 ( -2.870 -6.080 -5.585) 8.740 10.472 ( 6.099 -5.666 2.548) 8.706 10.773 ( 2.277 -2.447 -2.463) 4.152 10.980 ( -5.961 -6.616 0.052) 8.905 11.194 ( -3.000 -9.197 1.912) 9.861 11.863 ( -2.685 -12.816 -1.167) 13.146 12.241 ( -2.844 -7.785 4.697) 9.527 12.337 ( -2.719 -4.554 -3.314) 6.254 12.576 ( 0.944 -1.011 0.236) 1.403 12.634 ( -2.972 -4.360 -0.389) 5.291 13.069 ( 0.364 3.305 0.313) 3.340 13.287 ( -0.036 3.672 0.277) 3.683 13.748 ( 0.201 0.948 0.311) 1.017 13.988 ( -0.362 0.434 -1.051) 1.193 14.282 ( 1.681 -3.322 1.873) 4.168 14.378 ( -4.876 -1.892 -1.857) 5.550 14.927 ( -3.452 -7.574 1.084) 8.394 15.098 ( 1.672 0.833 -0.480) 1.929 15.169 ( 3.122 -0.254 3.801) 4.925 15.349 ( 1.520 2.125 -0.792) 2.730 15.466 ( 0.732 6.437 -2.837) 7.072 15.708 ( 13.491 10.666 -0.381) 17.202 15.792 ( -0.335 8.396 0.546) 8.420 16.082 ( -9.037 6.095 3.571) 11.470 16.358 ( -0.413 0.966 -5.524) 5.623 16.905 ( -3.024 2.743 4.612) 6.159 17.617 ( 4.713 -14.913 -5.941) 16.731 17.675 ( 0.218 7.816 3.921) 8.747 18.987 ( 1.871 -2.616 -1.457) 3.530 19.738 ( 0.959 -1.595 1.678) 2.506 19.884 ( -5.657 -12.169 -0.891) 13.449 20.658 ( -5.423 -13.925 -1.391) 15.009 20.824 ( -0.200 1.195 3.709) 3.902 21.198 ( -1.272 -1.587 -0.793) 2.183 21.256 ( -5.322 -3.108 -1.603) 6.368 21.719 ( -0.224 -1.123 -0.170) 1.158 21.856 ( -0.902 -7.157 0.095) 7.214 23.458 ( 22.834 20.965 0.746) 31.008 23.955 ( 16.628 16.944 -4.139) 24.099 24.116 ( -3.377 16.180 2.548) 16.724 24.693 ( -15.937 5.608 0.891) 16.919 25.112 ( -1.907 -4.456 0.314) 4.857 25.199 ( -2.310 -3.399 -1.209) 4.283 25.361 ( 0.267 -3.420 0.847) 3.533 25.629 ( -3.131 -6.582 0.013) 7.289 26.926 ( -1.287 -0.844 -0.684) 1.684 27.140 ( 1.917 -2.150 3.033) 4.183 27.304 ( 0.671 -0.509 -2.813) 2.937 27.605 ( -0.935 0.350 0.426) 1.085 ======================= Grid point 23 (17/78) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -0.000 16.635 0.000) 16.635 1.781 ( -0.000 14.823 0.000) 14.823 1.959 ( -0.000 0.521 0.000) 0.521 1.976 ( -0.000 4.048 0.000) 4.048 2.286 ( 0.000 -0.029 -0.000) 0.029 2.473 ( -0.000 7.010 0.000) 7.010 2.533 ( -0.000 17.449 0.000) 17.449 2.902 ( 0.000 -7.727 -0.000) 7.727 3.176 ( -0.000 4.443 0.000) 4.443 3.242 ( -0.000 2.537 0.000) 2.537 3.342 ( -0.000 13.312 0.000) 13.312 3.399 ( 0.000 -5.161 -0.000) 5.161 3.544 ( -0.000 3.667 0.000) 3.667 3.968 ( 0.000 -4.572 -0.000) 4.572 4.049 ( -0.000 6.445 0.000) 6.445 4.265 ( -0.000 2.610 0.000) 2.610 4.343 ( 0.000 -2.930 -0.000) 2.930 4.357 ( -0.000 3.711 0.000) 3.711 4.538 ( 0.000 -2.070 -0.000) 2.070 4.719 ( 0.000 -1.339 -0.000) 1.339 4.815 ( -0.000 1.256 0.000) 1.256 4.831 ( 0.000 -2.203 -0.000) 2.203 4.936 ( 0.000 -5.921 -0.000) 5.921 5.317 ( -0.000 5.158 0.000) 5.158 5.382 ( -0.000 3.316 0.000) 3.316 5.601 ( -0.000 1.746 0.000) 1.746 5.786 ( 0.000 -8.262 -0.000) 8.262 5.898 ( -0.000 0.269 0.000) 0.269 6.297 ( 0.000 -1.823 -0.000) 1.823 6.334 ( -0.000 3.211 0.000) 3.211 6.578 ( -0.000 0.517 0.000) 0.517 6.777 ( -0.000 9.881 0.000) 9.881 6.848 ( -0.000 0.485 0.000) 0.485 6.913 ( -0.000 4.600 0.000) 4.600 7.022 ( -0.000 6.906 0.000) 6.906 7.326 ( -0.000 3.089 0.000) 3.089 7.435 ( -0.000 12.883 0.000) 12.883 7.509 ( 0.000 -1.985 -0.000) 1.985 7.605 ( -0.000 3.963 0.000) 3.963 7.680 ( -0.000 1.707 0.000) 1.707 7.862 ( 0.000 -2.795 -0.000) 2.795 8.023 ( -0.000 3.755 0.000) 3.755 8.154 ( -0.000 3.063 0.000) 3.063 8.594 ( -0.000 2.315 0.000) 2.315 8.695 ( 0.000 -11.231 -0.000) 11.231 9.119 ( -0.000 7.096 0.000) 7.096 9.193 ( -0.000 9.177 0.000) 9.177 9.210 ( -0.000 5.538 0.000) 5.538 9.790 ( 0.000 -5.748 -0.000) 5.748 9.853 ( 0.000 -4.952 -0.000) 4.952 10.132 ( -0.000 0.816 0.000) 0.816 10.209 ( -0.000 0.995 0.000) 0.995 10.352 ( 0.000 -5.526 -0.000) 5.526 10.482 ( 0.000 -5.589 -0.000) 5.589 10.601 ( 0.000 -3.405 -0.000) 3.405 10.939 ( 0.000 -8.615 -0.000) 8.615 11.016 ( 0.000 -7.895 -0.000) 7.895 11.318 ( 0.000 -9.112 -0.000) 9.112 12.057 ( 0.000 -14.742 -0.000) 14.742 12.358 ( 0.000 -9.186 -0.000) 9.186 12.375 ( 0.000 -3.506 -0.000) 3.506 12.621 ( 0.000 -4.287 -0.000) 4.287 12.671 ( 0.000 -3.066 -0.000) 3.066 13.035 ( -0.000 2.013 0.000) 2.013 13.251 ( -0.000 0.490 0.000) 0.490 13.726 ( -0.000 2.300 0.000) 2.300 13.976 ( 0.000 -0.229 -0.000) 0.229 14.331 ( 0.000 -1.005 -0.000) 1.005 14.380 ( 0.000 -3.577 -0.000) 3.577 15.019 ( 0.000 -7.198 -0.000) 7.198 15.102 ( -0.000 0.805 0.000) 0.805 15.209 ( 0.000 -0.768 -0.000) 0.768 15.311 ( -0.000 3.589 0.000) 3.589 15.352 ( -0.000 8.337 0.000) 8.337 15.632 ( -0.000 10.731 0.000) 10.731 15.711 ( -0.000 9.281 0.000) 9.281 15.835 ( -0.000 10.214 0.000) 10.214 16.341 ( 0.000 -0.003 -0.000) 0.003 16.842 ( -0.000 3.387 0.000) 3.387 17.535 ( -0.000 9.651 0.000) 9.651 17.938 ( 0.000 -20.731 -0.000) 20.731 19.039 ( 0.000 -3.401 -0.000) 3.401 19.770 ( 0.000 -1.248 -0.000) 1.248 20.019 ( 0.000 -10.319 -0.000) 10.319 20.805 ( -0.000 1.287 0.000) 1.287 20.846 ( 0.000 -15.315 -0.000) 15.315 21.232 ( 0.000 -3.736 -0.000) 3.736 21.242 ( 0.000 -1.137 -0.000) 1.137 21.741 ( 0.000 -2.516 -0.000) 2.516 21.967 ( 0.000 -9.171 -0.000) 9.171 23.374 ( -0.000 22.925 0.000) 22.925 23.608 ( -0.000 17.053 0.000) 17.053 24.196 ( -0.000 11.153 0.000) 11.153 24.245 ( -0.000 11.123 0.000) 11.123 25.189 ( 0.000 -4.913 -0.000) 4.913 25.222 ( 0.000 -2.387 -0.000) 2.387 25.409 ( 0.000 -2.353 -0.000) 2.353 25.697 ( 0.000 -5.449 -0.000) 5.449 26.928 ( 0.000 -0.699 -0.000) 0.699 27.193 ( 0.000 -1.924 -0.000) 1.924 27.308 ( -0.000 0.279 0.000) 0.279 27.583 ( -0.000 1.312 0.000) 1.312 ======================= Grid point 28 (18/78) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 8.787 -0.000 5.934) 10.603 1.577 ( -0.761 0.000 -4.160) 4.229 1.813 ( -1.501 0.000 -8.046) 8.185 2.344 ( 13.186 -0.000 7.915) 15.380 2.554 ( 2.612 -0.000 18.959) 19.138 2.627 ( -11.859 0.000 -13.500) 17.969 2.978 ( -5.739 0.000 -0.537) 5.764 3.010 ( -19.973 0.000 -0.837) 19.991 3.045 ( 5.418 -0.000 16.668) 17.527 3.104 ( -1.291 0.000 -14.168) 14.226 3.179 ( -0.661 0.000 -4.312) 4.362 3.786 ( 3.684 -0.000 -2.673) 4.552 3.788 ( 5.475 -0.000 2.854) 6.174 3.921 ( 2.607 -0.000 5.363) 5.963 4.030 ( 8.584 -0.000 5.544) 10.218 4.101 ( -3.524 0.000 -0.375) 3.544 4.418 ( 4.659 -0.000 -4.539) 6.504 4.608 ( 14.633 -0.000 0.054) 14.634 4.652 ( 7.891 -0.000 6.439) 10.185 4.693 ( 6.801 -0.000 -5.845) 8.968 4.825 ( -7.546 0.000 -4.644) 8.860 4.870 ( 0.395 -0.000 -5.341) 5.356 4.996 ( 0.754 -0.000 4.523) 4.585 5.116 ( 5.444 -0.000 -6.452) 8.442 5.529 ( -1.204 0.000 1.163) 1.674 5.589 ( 4.482 -0.000 13.797) 14.507 5.693 ( 5.903 -0.000 -1.666) 6.134 5.903 ( -0.015 0.000 -4.862) 4.862 6.144 ( -5.440 0.000 -6.616) 8.565 6.267 ( 4.005 -0.000 -2.006) 4.480 6.390 ( 4.985 -0.000 3.440) 6.056 6.861 ( 7.066 -0.000 2.091) 7.369 7.068 ( -2.028 0.000 -1.354) 2.438 7.070 ( -1.268 0.000 11.031) 11.104 7.182 ( 9.666 -0.000 -5.860) 11.304 7.288 ( 5.660 -0.000 -10.785) 12.181 7.506 ( 3.516 -0.000 1.317) 3.754 7.563 ( -6.822 0.000 -3.106) 7.496 7.862 ( -2.823 0.000 11.011) 11.367 7.904 ( 7.455 -0.000 2.114) 7.749 7.941 ( 0.597 -0.000 -9.168) 9.188 8.072 ( 1.227 -0.000 1.684) 2.084 8.359 ( -2.694 0.000 6.044) 6.617 8.447 ( -0.544 0.000 0.802) 0.969 8.575 ( -4.420 0.000 2.983) 5.332 9.306 ( 4.652 -0.000 -3.087) 5.583 9.384 ( -2.029 0.000 5.009) 5.405 9.434 ( 11.799 -0.000 1.466) 11.889 9.693 ( 1.898 -0.000 6.148) 6.435 9.719 ( 0.565 -0.000 -13.153) 13.165 9.846 ( 2.316 -0.000 -1.528) 2.774 10.231 ( -9.405 0.000 -3.539) 10.049 10.398 ( -4.972 0.000 -4.494) 6.702 10.403 ( -3.538 0.000 -2.910) 4.581 10.701 ( -7.945 0.000 -0.771) 7.983 10.720 ( -9.516 0.000 0.815) 9.551 10.778 ( -2.140 0.000 1.718) 2.744 11.071 ( -9.435 0.000 5.226) 10.786 11.642 ( -8.537 0.000 0.045) 8.537 12.070 ( -4.447 0.000 3.675) 5.770 12.286 ( -3.326 0.000 -3.257) 4.655 12.571 ( -6.783 0.000 -2.971) 7.405 12.577 ( 2.026 -0.000 2.813) 3.467 13.199 ( -1.589 0.000 0.877) 1.814 13.426 ( 2.069 -0.000 0.619) 2.159 13.759 ( -1.179 0.000 -4.741) 4.886 13.961 ( 4.781 -0.000 1.187) 4.927 14.119 ( 2.736 -0.000 -2.271) 3.556 14.431 ( -8.474 0.000 2.064) 8.722 14.784 ( -7.383 0.000 -0.757) 7.422 15.074 ( 1.221 -0.000 4.485) 4.648 15.157 ( 2.080 -0.000 0.087) 2.082 15.324 ( 3.762 -0.000 2.911) 4.757 15.591 ( 3.594 -0.000 -3.490) 5.010 15.838 ( 8.702 -0.000 4.080) 9.611 16.012 ( 6.862 -0.000 -10.645) 12.665 16.149 ( 7.346 -0.000 2.390) 7.725 16.405 ( -2.002 0.000 7.848) 8.100 17.020 ( 1.924 -0.000 1.628) 2.521 17.191 ( -8.072 0.000 -3.907) 8.968 18.032 ( -0.365 0.000 -2.128) 2.159 18.770 ( 7.219 -0.000 0.827) 7.266 19.656 ( -13.547 0.000 -2.638) 13.802 19.693 ( -0.839 0.000 4.530) 4.607 20.420 ( -11.373 0.000 -4.295) 12.157 20.843 ( 1.066 -0.000 8.580) 8.646 21.196 ( -2.580 0.000 2.508) 3.598 21.269 ( -8.473 0.000 -7.244) 11.147 21.691 ( 1.446 -0.000 -0.523) 1.538 21.703 ( 0.244 -0.000 0.183) 0.305 23.931 ( 19.143 -0.000 1.236) 19.183 24.117 ( 15.293 -0.000 -1.830) 15.402 24.695 ( 7.892 -0.000 0.531) 7.910 24.708 ( 11.731 -0.000 -2.184) 11.933 25.016 ( -6.300 0.000 0.834) 6.355 25.056 ( -4.811 0.000 0.881) 4.891 25.321 ( -5.860 0.000 -0.238) 5.865 25.471 ( -11.081 0.000 0.627) 11.099 26.952 ( -3.541 0.000 -1.384) 3.801 27.037 ( 2.219 -0.000 3.475) 4.123 27.290 ( -0.435 0.000 -4.263) 4.285 27.589 ( 0.604 -0.000 1.831) 1.928 ======================= Grid point 29 (19/78) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 13.101 -4.315 8.748) 16.334 1.584 ( -0.047 -7.985 -4.063) 8.960 1.892 ( 14.149 0.583 -3.783) 14.658 2.297 ( -22.780 1.132 -12.728) 26.119 2.376 ( -8.023 7.384 7.660) 13.326 2.614 ( -1.765 -6.383 4.008) 7.741 2.776 ( -7.721 1.907 1.672) 8.127 2.987 ( 4.393 0.170 -3.474) 5.603 3.015 ( -2.375 1.739 -1.589) 3.345 3.161 ( 1.594 -1.655 5.230) 5.713 3.221 ( 1.282 -3.068 2.028) 3.895 3.758 ( -0.463 5.661 2.643) 6.265 3.836 ( 4.174 3.042 0.437) 5.183 3.984 ( 0.154 -0.813 -1.248) 1.498 4.064 ( 1.819 -0.846 0.634) 2.104 4.215 ( 11.356 -0.960 5.532) 12.668 4.392 ( -3.115 0.427 -4.813) 5.749 4.636 ( 1.163 3.134 -8.108) 8.770 4.681 ( 4.602 7.326 4.161) 9.600 4.757 ( -0.710 2.278 -1.362) 2.747 4.803 ( -1.441 3.220 -0.086) 3.529 4.854 ( 2.912 -2.145 -1.176) 3.804 5.000 ( 3.688 4.126 1.583) 5.756 5.256 ( 3.549 -9.042 -2.041) 9.925 5.512 ( 0.045 1.488 1.027) 1.808 5.649 ( 3.061 4.547 7.366) 9.182 5.709 ( -0.132 2.774 -4.875) 5.610 5.931 ( 1.029 -0.675 0.402) 1.294 6.091 ( -4.477 -6.650 -2.339) 8.351 6.347 ( 7.705 -0.094 -0.473) 7.720 6.456 ( 2.728 -0.240 1.402) 3.076 6.953 ( 4.066 3.357 2.866) 6.001 7.025 ( -5.333 -0.177 2.113) 5.739 7.060 ( 3.992 -0.767 -0.930) 4.170 7.201 ( -2.312 2.681 -3.060) 4.679 7.301 ( -1.991 -2.877 -6.626) 7.493 7.513 ( 5.630 4.230 0.494) 7.059 7.588 ( 7.233 0.715 0.190) 7.271 7.841 ( -3.902 0.467 8.563) 9.422 7.873 ( -0.674 3.822 -6.659) 7.707 7.990 ( 3.362 -0.050 -5.871) 6.766 8.068 ( -3.885 2.157 8.277) 9.394 8.296 ( -2.065 3.296 0.771) 3.965 8.452 ( -0.534 -0.730 0.546) 1.057 8.576 ( -1.649 -3.609 2.113) 4.495 9.288 ( 2.718 2.658 -4.428) 5.836 9.409 ( 5.544 2.992 7.449) 9.756 9.581 ( 4.560 0.244 4.638) 6.508 9.664 ( -0.685 -0.443 -10.945) 10.976 9.760 ( 2.245 0.305 0.167) 2.272 9.891 ( -1.920 2.022 1.706) 3.269 10.140 ( -0.364 -6.988 -1.546) 7.166 10.297 ( -4.987 0.401 -1.156) 5.135 10.364 ( -1.853 -1.437 -2.723) 3.593 10.520 ( -2.424 4.955 -1.890) 5.831 10.703 ( -8.555 -5.489 -0.657) 10.186 10.802 ( -0.741 -2.462 1.709) 3.087 10.991 ( -5.082 -3.099 2.969) 6.651 11.589 ( -4.349 -4.775 -0.011) 6.459 12.055 ( -3.033 -3.598 2.256) 5.219 12.251 ( -1.758 -1.091 -1.764) 2.719 12.511 ( -3.726 -2.776 -1.515) 4.887 12.597 ( 1.142 1.095 1.506) 2.184 13.166 ( -0.571 2.392 0.248) 2.472 13.419 ( 0.820 3.572 0.290) 3.676 13.744 ( -0.090 -0.664 -1.940) 2.053 14.017 ( 3.041 1.066 0.347) 3.241 14.184 ( 4.096 -2.516 -1.256) 4.968 14.333 ( -7.253 -0.917 1.333) 7.432 14.729 ( -4.650 -4.397 -0.372) 6.411 15.095 ( 0.144 -0.387 1.342) 1.404 15.176 ( 1.693 0.424 1.157) 2.094 15.378 ( 2.155 0.093 1.362) 2.551 15.601 ( 1.709 2.366 -2.031) 3.555 15.927 ( 6.714 3.449 3.642) 8.381 16.014 ( 3.687 4.867 -6.732) 9.089 16.209 ( 1.180 2.700 2.702) 3.998 16.396 ( -1.300 0.765 1.242) 1.954 16.987 ( -1.499 3.620 2.242) 4.514 17.201 ( -1.673 -10.303 -1.801) 10.592 17.962 ( 0.432 7.230 -1.655) 7.429 18.907 ( 6.677 -2.454 0.114) 7.114 19.532 ( -10.005 -7.746 -1.421) 12.733 19.707 ( -0.058 -0.880 2.997) 3.124 20.330 ( -6.570 -6.186 -2.613) 9.394 20.875 ( 1.136 1.256 6.308) 6.531 21.157 ( -4.206 -0.619 -4.452) 6.156 21.188 ( -2.003 -1.476 -0.116) 2.490 21.705 ( 0.237 -0.094 0.098) 0.272 21.724 ( 0.624 -2.043 -0.206) 2.146 24.015 ( 17.232 14.985 0.632) 22.845 24.311 ( 2.943 2.313 -1.611) 4.075 24.599 ( 13.448 15.975 0.686) 20.893 24.804 ( -3.794 2.449 -0.044) 4.516 25.009 ( -3.576 -4.558 -1.350) 5.949 25.091 ( -2.483 -3.473 1.407) 4.496 25.226 ( -4.233 -2.896 -0.080) 5.130 25.398 ( -6.317 -7.524 0.352) 9.831 26.911 ( -1.845 -0.137 -0.770) 2.004 27.085 ( 1.759 -1.143 2.936) 3.609 27.275 ( -0.554 -0.854 -3.198) 3.356 27.603 ( 0.247 -0.263 0.884) 0.955 ======================= Grid point 30 (20/78) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 0.000 -3.863 -0.000) 3.863 1.834 ( 0.000 -5.823 -0.000) 5.823 1.993 ( -0.000 0.110 0.000) 0.110 2.067 ( -0.000 7.447 0.000) 7.447 2.207 ( 0.000 -4.049 -0.000) 4.049 2.615 ( -0.000 1.885 0.000) 1.885 2.755 ( 0.000 -1.390 -0.000) 1.390 2.905 ( -0.000 7.297 0.000) 7.297 3.097 ( 0.000 -6.784 -0.000) 6.784 3.216 ( 0.000 -2.128 -0.000) 2.128 3.269 ( 0.000 -3.111 -0.000) 3.111 3.660 ( -0.000 7.022 0.000) 7.022 3.774 ( -0.000 8.345 0.000) 8.345 3.967 ( -0.000 1.283 0.000) 1.283 4.132 ( 0.000 -2.427 -0.000) 2.427 4.306 ( -0.000 1.893 0.000) 1.893 4.346 ( -0.000 1.989 0.000) 1.989 4.538 ( -0.000 2.492 0.000) 2.492 4.617 ( -0.000 11.812 0.000) 11.812 4.740 ( -0.000 1.674 0.000) 1.674 4.745 ( 0.000 -2.808 -0.000) 2.808 4.879 ( -0.000 0.285 0.000) 0.285 4.939 ( -0.000 6.932 0.000) 6.932 5.403 ( 0.000 -5.810 -0.000) 5.810 5.476 ( -0.000 4.085 0.000) 4.085 5.609 ( -0.000 1.735 0.000) 1.735 5.659 ( -0.000 1.780 0.000) 1.780 5.908 ( -0.000 1.506 0.000) 1.506 6.187 ( 0.000 -7.120 -0.000) 7.120 6.438 ( -0.000 3.107 0.000) 3.107 6.456 ( 0.000 -4.187 -0.000) 4.187 6.918 ( -0.000 3.851 0.000) 3.851 6.974 ( -0.000 1.826 0.000) 1.826 7.035 ( -0.000 4.607 0.000) 4.607 7.217 ( -0.000 3.875 0.000) 3.875 7.296 ( 0.000 -6.324 -0.000) 6.324 7.508 ( -0.000 3.660 0.000) 3.660 7.662 ( 0.000 -0.457 -0.000) 0.457 7.772 ( -0.000 4.254 0.000) 4.254 7.792 ( -0.000 5.205 0.000) 5.205 7.892 ( -0.000 9.117 0.000) 9.117 8.060 ( 0.000 -1.949 -0.000) 1.949 8.243 ( -0.000 2.499 0.000) 2.499 8.468 ( 0.000 -2.783 -0.000) 2.783 8.613 ( 0.000 -1.751 -0.000) 1.751 9.291 ( -0.000 2.407 0.000) 2.407 9.410 ( -0.000 6.728 0.000) 6.728 9.524 ( -0.000 8.954 0.000) 8.954 9.674 ( -0.000 1.314 0.000) 1.314 9.697 ( 0.000 -3.200 -0.000) 3.200 9.939 ( 0.000 -8.256 -0.000) 8.256 10.271 ( -0.000 1.869 0.000) 1.869 10.278 ( 0.000 -8.468 -0.000) 8.468 10.422 ( -0.000 5.299 0.000) 5.299 10.439 ( 0.000 -7.049 -0.000) 7.049 10.700 ( 0.000 -5.990 -0.000) 5.990 10.834 ( 0.000 -3.521 -0.000) 3.521 11.052 ( 0.000 -7.508 -0.000) 7.508 11.666 ( 0.000 -9.524 -0.000) 9.524 12.112 ( 0.000 -6.444 -0.000) 6.444 12.264 ( 0.000 -2.729 -0.000) 2.729 12.540 ( 0.000 -4.510 -0.000) 4.510 12.590 ( -0.000 1.034 0.000) 1.034 13.120 ( -0.000 3.241 0.000) 3.241 13.357 ( -0.000 4.991 0.000) 4.991 13.752 ( 0.000 -0.426 -0.000) 0.426 14.011 ( -0.000 2.040 0.000) 2.040 14.274 ( 0.000 -2.480 -0.000) 2.480 14.285 ( 0.000 -2.515 -0.000) 2.515 14.787 ( 0.000 -7.345 -0.000) 7.345 15.103 ( 0.000 -0.413 -0.000) 0.413 15.194 ( 0.000 -0.314 -0.000) 0.314 15.382 ( -0.000 1.331 0.000) 1.331 15.556 ( -0.000 4.740 0.000) 4.740 15.924 ( -0.000 7.937 0.000) 7.937 15.939 ( -0.000 4.967 0.000) 4.967 16.121 ( -0.000 8.132 0.000) 8.132 16.365 ( -0.000 1.529 0.000) 1.529 16.932 ( -0.000 2.724 0.000) 2.724 17.386 ( 0.000 -15.212 -0.000) 15.212 17.836 ( -0.000 9.692 0.000) 9.692 18.976 ( 0.000 -1.172 -0.000) 1.172 19.632 ( 0.000 -13.756 -0.000) 13.756 19.729 ( 0.000 -1.307 -0.000) 1.307 20.414 ( 0.000 -11.517 -0.000) 11.517 20.866 ( -0.000 2.296 0.000) 2.296 21.140 ( 0.000 -2.238 -0.000) 2.238 21.199 ( 0.000 -1.554 -0.000) 1.554 21.709 ( 0.000 -0.310 -0.000) 0.310 21.772 ( 0.000 -3.997 -0.000) 3.997 23.971 ( -0.000 16.296 0.000) 16.296 24.094 ( -0.000 14.768 0.000) 14.768 24.582 ( -0.000 13.632 0.000) 13.632 24.601 ( -0.000 11.340 0.000) 11.340 25.020 ( 0.000 -5.570 -0.000) 5.570 25.111 ( 0.000 -4.751 -0.000) 4.751 25.299 ( 0.000 -5.172 -0.000) 5.172 25.494 ( 0.000 -8.722 -0.000) 8.722 26.904 ( 0.000 -0.653 -0.000) 0.653 27.128 ( 0.000 -1.991 -0.000) 1.991 27.284 ( 0.000 -1.424 -0.000) 1.424 27.606 ( -0.000 0.184 0.000) 0.184 ======================= Grid point 38 (21/78) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 -0.000 -0.000) 0.000 1.739 ( 0.000 -0.000 0.000) 0.000 2.029 ( 0.000 -0.000 -0.000) 0.000 2.101 ( -0.000 0.000 0.000) 0.000 2.217 ( 0.000 -0.000 0.000) 0.000 2.593 ( 0.000 -0.000 0.000) 0.000 2.760 ( 0.000 -0.000 -0.000) 0.000 2.998 ( 0.000 -0.000 -0.000) 0.000 3.010 ( 0.000 -0.000 0.000) 0.000 3.176 ( 0.000 -0.000 0.000) 0.000 3.217 ( 0.000 -0.000 0.000) 0.000 3.814 ( 0.000 -0.000 0.000) 0.000 3.888 ( 0.000 -0.000 0.000) 0.000 3.964 ( 0.000 -0.000 -0.000) 0.000 4.057 ( 0.000 -0.000 0.000) 0.000 4.350 ( 0.000 -0.000 -0.000) 0.000 4.358 ( 0.000 -0.000 0.000) 0.000 4.592 ( 0.000 -0.000 0.000) 0.000 4.768 ( 0.000 -0.000 0.000) 0.000 4.769 ( 0.000 -0.000 0.000) 0.000 4.841 ( 0.000 -0.000 -0.000) 0.000 4.897 ( 0.000 -0.000 -0.000) 0.000 5.072 ( 0.000 -0.000 -0.000) 0.000 5.182 ( 0.000 -0.000 0.000) 0.000 5.522 ( 0.000 -0.000 0.000) 0.000 5.692 ( 0.000 -0.000 0.000) 0.000 5.847 ( 0.000 -0.000 -0.000) 0.000 5.885 ( 0.000 -0.000 -0.000) 0.000 5.975 ( -0.000 0.000 -0.000) 0.000 6.410 ( 0.000 -0.000 -0.000) 0.000 6.477 ( 0.000 -0.000 0.000) 0.000 6.987 ( 0.000 -0.000 0.000) 0.000 7.031 ( 0.000 -0.000 -0.000) 0.000 7.120 ( 0.001 -0.000 0.001) 0.001 7.122 ( -0.001 0.000 -0.001) 0.001 7.248 ( 0.000 -0.000 0.000) 0.000 7.601 ( 0.000 -0.000 -0.000) 0.000 7.639 ( 0.000 -0.000 0.000) 0.000 7.824 ( -0.000 0.000 0.000) 0.000 7.889 ( 0.000 -0.000 0.000) 0.000 7.999 ( -0.000 0.000 -0.000) 0.000 8.091 ( 0.000 -0.000 -0.000) 0.000 8.316 ( -0.000 0.000 0.000) 0.000 8.449 ( 0.000 -0.000 0.000) 0.000 8.527 ( 0.000 -0.000 0.000) 0.000 9.280 ( 0.000 -0.000 -0.000) 0.000 9.544 ( 0.000 -0.000 0.000) 0.000 9.560 ( -0.000 0.000 -0.000) 0.000 9.655 ( 0.000 -0.000 -0.000) 0.000 9.826 ( 0.000 -0.000 0.000) 0.000 9.978 ( 0.000 -0.000 0.000) 0.000 9.982 ( 0.000 -0.000 -0.000) 0.000 10.268 ( 0.000 -0.000 -0.000) 0.000 10.291 ( 0.000 -0.000 -0.000) 0.000 10.532 ( 0.000 -0.000 0.000) 0.000 10.611 ( 0.000 -0.000 0.000) 0.000 10.797 ( 0.000 -0.000 -0.000) 0.000 10.924 ( 0.000 -0.000 -0.000) 0.000 11.523 ( 0.000 -0.000 -0.000) 0.000 12.012 ( 0.000 -0.000 0.000) 0.000 12.229 ( 0.000 -0.000 0.000) 0.000 12.459 ( 0.000 -0.000 0.000) 0.000 12.617 ( 0.000 -0.000 -0.000) 0.000 13.181 ( 0.000 -0.000 -0.000) 0.000 13.455 ( 0.000 -0.000 0.000) 0.000 13.732 ( 0.000 -0.000 -0.000) 0.000 14.056 ( 0.000 -0.000 0.000) 0.000 14.222 ( -0.000 0.000 0.000) 0.000 14.246 ( 0.000 -0.000 -0.000) 0.000 14.657 ( 0.000 -0.000 0.000) 0.000 15.096 ( 0.000 -0.000 0.000) 0.000 15.188 ( 0.000 -0.000 -0.000) 0.000 15.399 ( 0.000 -0.000 0.000) 0.000 15.628 ( 0.000 -0.000 0.000) 0.000 16.006 ( 0.000 -0.000 -0.000) 0.000 16.054 ( 0.000 -0.000 0.000) 0.000 16.260 ( 0.000 -0.000 -0.000) 0.000 16.398 ( 0.000 -0.000 0.000) 0.000 17.049 ( 0.000 -0.000 -0.000) 0.000 17.060 ( 0.000 -0.000 0.000) 0.000 18.016 ( 0.000 -0.000 0.000) 0.000 18.959 ( 0.000 -0.000 -0.000) 0.000 19.377 ( 0.000 -0.000 0.000) 0.000 19.707 ( 0.000 -0.000 0.000) 0.000 20.232 ( 0.000 -0.000 -0.000) 0.000 20.908 ( 0.000 -0.000 0.000) 0.000 21.105 ( 0.000 -0.000 -0.000) 0.000 21.169 ( 0.000 -0.000 0.000) 0.000 21.708 ( 0.000 -0.000 0.000) 0.000 21.712 ( 0.000 -0.000 0.000) 0.000 24.259 ( 0.000 -0.000 0.000) 0.000 24.373 ( 0.000 -0.000 -0.000) 0.000 24.761 ( 0.000 -0.000 0.000) 0.000 24.824 ( 0.000 -0.000 0.000) 0.000 24.989 ( 0.000 -0.000 0.000) 0.000 25.081 ( 0.000 -0.000 -0.000) 0.000 25.148 ( 0.000 -0.000 0.000) 0.000 25.240 ( 0.000 -0.000 -0.000) 0.000 26.895 ( 0.000 -0.000 0.000) 0.000 27.095 ( 0.000 -0.000 -0.000) 0.000 27.256 ( 0.000 -0.000 0.000) 0.000 27.605 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 67 (22/78) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 5.298 -0.000 22.392) 23.010 0.619 ( 11.674 -0.000 26.301) 28.775 1.298 ( -3.095 0.000 29.139) 29.303 1.688 ( 0.955 -0.000 -15.421) 15.451 1.901 ( 5.423 -0.000 17.773) 18.582 2.276 ( -9.418 0.000 2.523) 9.750 2.400 ( 12.057 -0.000 -3.897) 12.671 2.519 ( -1.234 0.000 10.359) 10.432 2.910 ( -2.763 0.000 0.931) 2.915 2.926 ( 3.514 -0.000 -2.822) 4.507 3.205 ( -4.952 0.000 -5.386) 7.317 3.584 ( -6.733 0.000 5.223) 8.521 3.734 ( -7.495 0.000 -10.621) 13.000 3.976 ( -9.850 0.000 3.561) 10.474 4.048 ( -4.593 0.000 -1.490) 4.829 4.144 ( -3.719 0.000 -2.699) 4.595 4.243 ( 19.061 -0.000 -11.078) 22.047 4.516 ( 5.177 -0.000 3.595) 6.303 4.572 ( -4.396 0.000 -8.447) 9.522 4.764 ( 2.758 -0.000 -7.054) 7.574 4.925 ( -6.561 0.000 6.802) 9.451 5.044 ( 1.875 -0.000 -0.671) 1.992 5.161 ( -7.828 0.000 2.913) 8.353 5.231 ( 0.043 -0.000 -3.319) 3.319 5.305 ( 2.598 -0.000 6.464) 6.966 5.664 ( 0.363 -0.000 -6.027) 6.038 5.718 ( -1.975 0.000 3.160) 3.726 5.890 ( -1.779 0.000 -7.315) 7.528 6.036 ( 2.376 -0.000 2.909) 3.756 6.291 ( -3.645 0.000 -4.589) 5.861 6.406 ( 6.306 -0.000 5.679) 8.486 6.412 ( 8.992 -0.000 4.126) 9.894 6.680 ( -3.996 0.000 -3.509) 5.319 6.696 ( -11.131 0.000 -0.731) 11.155 6.783 ( 7.700 -0.000 -2.388) 8.062 6.904 ( -2.466 0.000 -2.072) 3.220 7.297 ( -2.075 0.000 3.692) 4.235 7.317 ( 4.115 -0.000 -1.364) 4.335 7.512 ( 8.333 -0.000 1.059) 8.400 7.642 ( -7.349 0.000 -1.840) 7.576 7.889 ( 2.317 -0.000 2.326) 3.283 8.084 ( -4.914 0.000 -3.718) 6.162 8.578 ( -1.860 0.000 6.745) 6.997 8.832 ( 3.442 -0.000 -3.200) 4.699 8.941 ( 2.567 -0.000 1.402) 2.925 8.967 ( 10.702 -0.000 0.279) 10.705 9.308 ( 2.349 -0.000 3.290) 4.043 9.568 ( 1.161 -0.000 -7.295) 7.387 9.753 ( 38.061 -0.000 6.701) 38.646 10.051 ( -6.045 0.000 -2.716) 6.627 10.179 ( -5.117 0.000 3.782) 6.363 10.186 ( -13.735 0.000 1.274) 13.794 10.482 ( -3.832 0.000 -3.480) 5.177 10.560 ( -1.128 0.000 -5.186) 5.307 10.900 ( -13.583 0.000 3.720) 14.083 11.092 ( 7.933 -0.000 -4.801) 9.273 11.404 ( -1.415 0.000 0.036) 1.415 11.478 ( 1.569 -0.000 -3.131) 3.502 12.303 ( 2.103 -0.000 1.758) 2.741 12.361 ( -1.964 0.000 1.247) 2.327 12.558 ( -4.922 0.000 9.017) 10.273 12.838 ( 5.856 -0.000 -1.710) 6.101 12.850 ( 0.980 -0.000 5.551) 5.637 12.965 ( 2.201 -0.000 -0.574) 2.274 13.069 ( -2.202 0.000 2.856) 3.606 13.381 ( -0.750 0.000 -3.932) 4.003 14.004 ( -1.214 0.000 -0.570) 1.342 14.186 ( 0.348 -0.000 -8.216) 8.223 14.821 ( 8.756 -0.000 9.295) 12.769 14.987 ( 0.314 -0.000 2.550) 2.569 15.004 ( -1.586 0.000 0.859) 1.803 15.107 ( -8.264 0.000 -1.942) 8.489 15.166 ( 6.734 -0.000 -0.021) 6.734 15.198 ( 0.617 -0.000 -0.550) 0.827 15.255 ( -2.942 0.000 -1.993) 3.553 15.290 ( -3.402 0.000 -2.683) 4.333 15.490 ( -0.383 0.000 11.439) 11.446 16.375 ( -1.340 0.000 -22.099) 22.140 17.374 ( 2.502 -0.000 11.380) 11.652 17.633 ( -4.004 0.000 -1.349) 4.225 19.235 ( -8.571 0.000 0.882) 8.616 19.383 ( 5.647 -0.000 -3.832) 6.824 19.848 ( 1.920 -0.000 5.165) 5.510 20.177 ( -0.275 0.000 -7.508) 7.513 20.921 ( -0.422 0.000 6.306) 6.321 21.167 ( -1.032 0.000 -3.344) 3.499 21.272 ( -5.506 0.000 2.909) 6.227 21.396 ( 1.641 -0.000 -1.663) 2.336 22.250 ( -1.952 0.000 0.434) 1.999 22.279 ( 1.981 -0.000 -0.577) 2.063 22.466 ( 16.058 -0.000 0.474) 16.065 22.489 ( -5.092 0.000 -0.341) 5.103 23.696 ( 2.672 -0.000 1.804) 3.224 23.798 ( -0.309 0.000 -1.811) 1.837 25.264 ( 0.253 -0.000 2.161) 2.176 25.417 ( -1.371 0.000 -3.668) 3.916 25.791 ( -17.004 0.000 3.388) 17.338 25.928 ( 2.683 -0.000 -1.887) 3.280 27.044 ( -2.857 0.000 0.447) 2.892 27.064 ( 23.079 -0.000 -0.239) 23.081 27.202 ( -1.148 0.000 0.111) 1.153 27.211 ( 1.112 -0.000 -0.239) 1.138 ======================= Grid point 68 (23/78) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 15.925 -5.251 18.536) 24.995 1.162 ( 16.160 -15.782 16.556) 28.006 1.516 ( 12.087 -9.773 3.735) 15.986 1.704 ( 3.891 -6.038 -17.975) 19.358 2.158 ( -8.541 -0.819 -0.129) 8.581 2.189 ( 14.072 -8.091 34.444) 38.077 2.483 ( 9.086 2.099 3.867) 10.095 2.618 ( 3.425 -5.504 5.316) 8.384 2.917 ( -1.127 -2.715 2.490) 3.852 3.008 ( 4.581 0.554 -9.090) 10.195 3.179 ( 0.639 -4.735 -6.839) 8.343 3.495 ( -1.916 2.738 4.844) 5.885 3.633 ( -4.820 -3.707 -4.585) 7.615 3.806 ( -7.837 1.013 0.769) 7.940 3.997 ( -7.586 -1.378 2.164) 8.008 4.100 ( -3.102 -2.569 -6.154) 7.355 4.424 ( 0.937 3.657 -6.331) 7.372 4.479 ( 4.039 0.342 -8.995) 9.866 4.582 ( 4.274 2.996 1.286) 5.376 4.759 ( 1.180 -0.473 -6.774) 6.892 4.885 ( -1.863 -0.455 2.638) 3.261 5.050 ( -6.179 3.294 3.054) 7.640 5.111 ( 5.446 1.333 2.768) 6.253 5.186 ( 3.527 5.907 1.339) 7.009 5.390 ( 2.847 -4.266 5.589) 7.585 5.662 ( -1.868 -2.259 -6.041) 6.715 5.676 ( -3.764 -2.110 2.242) 4.863 5.867 ( -2.145 -2.692 -5.008) 6.077 6.141 ( -0.336 -7.065 2.520) 7.509 6.182 ( -5.234 1.505 -2.688) 6.074 6.446 ( -5.351 0.829 -4.486) 7.031 6.523 ( -0.033 1.581 2.338) 2.823 6.557 ( 0.381 -1.158 -2.062) 2.395 6.749 ( 5.959 -6.720 3.053) 9.486 6.932 ( 5.650 -4.810 -0.903) 7.475 6.940 ( 9.425 -1.836 -1.506) 9.720 7.263 ( -0.312 0.924 2.066) 2.284 7.434 ( 8.601 -2.462 -1.559) 9.082 7.506 ( -9.373 0.690 -5.867) 11.079 7.665 ( 10.606 0.008 5.205) 11.814 7.911 ( -0.220 4.202 0.896) 4.302 8.009 ( -1.064 -0.889 -1.642) 2.149 8.585 ( -1.388 -0.690 6.233) 6.423 8.824 ( -2.205 -0.008 -0.501) 2.261 8.923 ( -4.094 3.638 -0.847) 5.542 9.009 ( 1.940 -2.521 -1.286) 3.431 9.203 ( -8.401 11.868 10.915) 18.182 9.398 ( 5.499 12.187 5.252) 14.365 9.824 ( -5.479 6.322 -0.377) 8.374 9.985 ( -6.985 -0.049 -1.140) 7.078 10.079 ( 11.916 2.961 -2.132) 12.462 10.190 ( -6.466 -0.500 1.333) 6.621 10.399 ( 2.102 7.615 -7.010) 10.561 10.554 ( 0.692 -0.350 -4.426) 4.493 10.824 ( -5.807 -1.967 3.853) 7.242 11.205 ( -0.501 0.528 0.922) 1.175 11.348 ( -0.752 1.671 -1.603) 2.434 11.454 ( -1.734 2.304 -5.281) 6.017 12.335 ( -0.341 0.120 3.205) 3.225 12.394 ( -7.076 -5.859 -3.752) 9.923 12.574 ( -3.631 -7.175 7.133) 10.749 12.867 ( -2.344 -1.296 1.935) 3.305 12.879 ( -4.952 -1.942 3.836) 6.558 13.062 ( 3.774 4.359 0.900) 5.836 13.187 ( 22.836 3.013 -14.492) 27.214 13.370 ( 0.514 -0.961 -4.817) 4.939 13.992 ( 0.956 -2.321 -0.563) 2.573 14.145 ( -2.192 -0.752 -8.064) 8.390 14.878 ( 2.787 8.946 8.669) 12.765 14.917 ( -2.642 1.533 5.137) 5.976 15.034 ( -3.478 -2.329 -0.511) 4.217 15.107 ( 0.955 -1.609 -4.202) 4.600 15.203 ( 3.617 -1.877 0.706) 4.136 15.219 ( -0.846 -1.949 -1.070) 2.379 15.257 ( -2.035 -3.616 -2.645) 4.920 15.339 ( 7.847 -4.765 1.543) 9.310 15.588 ( 5.488 -4.810 10.367) 12.678 16.316 ( 1.460 -0.957 -20.572) 20.646 17.370 ( -7.289 9.369 20.493) 23.682 17.487 ( 2.057 4.583 5.608) 7.529 18.665 ( -29.448 13.184 12.286) 34.525 19.261 ( -9.487 8.369 -5.026) 13.612 19.844 ( -1.490 1.245 5.084) 5.443 20.128 ( -1.237 0.424 -8.788) 8.885 20.901 ( -2.777 2.092 7.238) 8.029 21.150 ( -3.028 -2.415 -3.014) 4.908 21.299 ( 4.320 0.898 1.849) 4.784 21.448 ( 7.080 1.796 -1.158) 7.396 22.222 ( -12.914 -5.479 2.409) 14.233 22.287 ( 6.653 10.846 2.217) 12.915 22.517 ( -4.481 -8.156 -0.074) 9.306 22.752 ( 16.761 -12.617 -12.582) 24.462 23.544 ( -6.537 13.623 4.429) 15.746 24.177 ( 26.076 -16.267 -7.625) 31.665 25.272 ( -0.678 -0.082 1.925) 2.042 25.353 ( -3.732 1.604 -1.039) 4.192 25.575 ( -7.035 3.640 9.287) 12.206 25.918 ( 1.305 3.365 -1.067) 3.764 26.994 ( -2.188 -0.122 -0.055) 2.192 27.132 ( 1.701 3.256 -2.546) 4.470 27.212 ( -1.550 -2.153 -0.205) 2.661 27.457 ( 10.332 -6.300 -7.160) 14.061 ======================= Grid point 69 (24/78) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 14.378 -9.983 12.787) 21.677 1.472 ( 5.310 -6.444 1.789) 8.540 1.705 ( 1.147 -4.335 -4.502) 6.354 1.867 ( 6.354 -3.708 4.401) 8.573 2.147 ( 2.710 -5.934 1.323) 6.656 2.540 ( 2.153 -1.517 2.791) 3.837 2.697 ( 15.818 -4.911 11.894) 20.391 2.829 ( 7.807 -10.936 6.878) 15.095 2.934 ( -0.729 -4.472 5.154) 6.862 3.025 ( 6.374 3.524 -8.304) 11.045 3.239 ( 0.522 -3.395 -6.628) 7.465 3.490 ( 1.105 1.708 2.171) 2.975 3.656 ( 1.970 -1.976 2.695) 3.879 3.822 ( 2.470 -7.800 -3.323) 8.831 3.887 ( -9.379 1.004 1.452) 9.544 4.112 ( -0.237 -3.915 1.268) 4.122 4.317 ( -1.722 2.757 -3.287) 4.622 4.434 ( -2.902 4.573 -3.745) 6.585 4.530 ( -2.528 2.156 -7.964) 8.630 4.765 ( -2.248 -1.877 -3.477) 4.546 4.877 ( -2.177 0.342 0.749) 2.327 4.917 ( -1.368 5.363 0.597) 5.567 5.131 ( 5.423 4.009 6.015) 9.037 5.248 ( 7.142 0.426 3.696) 8.053 5.534 ( 3.381 -4.697 5.791) 8.187 5.652 ( -1.903 -2.533 -5.766) 6.579 5.714 ( -1.017 -6.261 0.083) 6.344 5.868 ( -0.974 -2.111 -3.730) 4.395 6.071 ( -3.155 1.955 -1.448) 3.983 6.222 ( -5.631 -4.988 -1.980) 7.779 6.352 ( -3.828 -1.453 -2.157) 4.628 6.451 ( -4.673 0.297 0.336) 4.695 6.615 ( 4.247 -0.923 -4.287) 6.105 6.887 ( -0.263 -5.233 -2.538) 5.823 7.122 ( 10.837 -3.533 4.415) 12.223 7.169 ( 11.571 -5.063 0.795) 12.656 7.286 ( 4.681 1.666 2.832) 5.719 7.355 ( -6.962 -0.561 -6.585) 9.599 7.590 ( 8.451 -2.625 -1.661) 9.004 7.763 ( -2.497 4.258 -0.989) 5.035 7.841 ( 7.848 0.024 1.848) 8.062 8.051 ( 2.756 -0.708 -0.160) 2.849 8.561 ( -6.011 1.158 5.262) 8.072 8.780 ( -5.747 -1.382 1.785) 6.174 8.798 ( 0.172 6.336 0.334) 6.347 8.949 ( -6.376 9.563 15.527) 19.318 9.111 ( 4.939 0.831 -2.328) 5.523 9.384 ( 1.695 -2.444 0.738) 3.065 9.708 ( -6.117 -0.987 -6.438) 8.936 9.864 ( -2.696 2.687 -7.415) 8.335 10.101 ( -4.088 1.728 3.955) 5.945 10.179 ( 5.658 -1.341 0.032) 5.815 10.334 ( 4.078 5.161 -2.100) 6.905 10.538 ( -0.717 2.115 -3.354) 4.029 10.759 ( -5.267 2.986 0.923) 6.125 10.995 ( -11.186 9.677 2.476) 14.997 11.319 ( -3.549 4.821 -8.812) 10.654 11.379 ( 1.478 1.760 2.757) 3.590 12.226 ( -6.070 5.917 -0.466) 8.490 12.424 ( -1.914 -5.229 0.207) 5.572 12.667 ( -2.441 -6.681 6.550) 9.669 12.823 ( -8.831 -0.216 3.218) 9.401 12.835 ( -4.357 -0.050 4.208) 6.058 13.026 ( 7.509 10.136 1.133) 12.665 13.215 ( 3.204 4.317 -2.013) 5.741 13.452 ( 6.455 -3.825 -10.957) 13.279 14.082 ( 3.874 -1.789 -1.008) 4.385 14.130 ( -1.018 -4.256 -7.703) 8.859 14.786 ( -0.914 3.643 2.205) 4.355 14.930 ( 5.275 4.968 8.632) 11.270 14.984 ( -5.791 0.286 -3.003) 6.529 15.088 ( 1.824 1.176 -2.959) 3.669 15.218 ( -4.212 -3.319 -2.458) 5.899 15.226 ( -1.640 -1.319 -0.802) 2.252 15.388 ( 5.106 -4.512 4.808) 8.339 15.533 ( 6.498 -6.029 1.375) 8.970 15.843 ( 10.555 -9.165 7.031) 15.648 16.301 ( 2.409 -0.993 -18.607) 18.788 17.199 ( -1.619 9.718 19.134) 21.521 17.534 ( -0.157 -2.282 11.365) 11.593 18.174 ( -20.637 12.223 -0.925) 24.004 19.006 ( -7.924 3.552 -8.309) 12.018 19.814 ( -1.644 1.697 4.665) 5.230 20.092 ( -0.629 -0.879 -8.301) 8.371 20.858 ( -1.018 3.317 7.706) 8.451 21.130 ( -4.365 -3.099 -2.956) 6.115 21.344 ( 3.853 1.735 3.400) 5.423 21.503 ( 6.334 2.814 -1.434) 7.078 22.114 ( -12.240 -3.561 4.147) 13.405 22.249 ( 6.262 7.645 0.062) 9.882 22.540 ( -12.078 -10.725 -0.368) 16.157 22.797 ( -1.061 15.441 -8.665) 17.738 23.641 ( 17.799 -13.516 2.964) 22.545 24.666 ( 18.027 -9.598 -5.370) 21.117 25.234 ( -3.348 1.469 0.087) 3.657 25.312 ( -0.749 0.043 1.474) 1.654 25.496 ( -2.932 2.297 5.191) 6.389 25.879 ( 1.106 3.231 -0.672) 3.481 26.976 ( -1.540 -0.816 -0.412) 1.790 27.109 ( 1.165 1.573 -1.462) 2.444 27.223 ( -1.988 -2.534 -0.127) 3.223 27.586 ( 3.651 -2.285 -3.442) 5.513 ======================= Grid point 70 (25/78) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -2.817 -1.970 4.893) 5.980 1.637 ( 7.167 -2.461 -3.804) 8.479 1.865 ( 11.554 -9.583 4.154) 15.575 1.981 ( 3.804 -1.355 9.675) 10.484 2.268 ( -4.371 -3.839 -3.640) 6.863 2.570 ( 5.907 -0.601 3.314) 6.800 2.849 ( -1.898 3.895 1.756) 4.675 2.901 ( -4.379 -0.357 7.256) 8.482 2.994 ( 3.472 0.538 1.070) 3.673 3.221 ( 8.697 -8.116 -0.002) 11.896 3.327 ( 8.897 -2.374 -1.808) 9.384 3.473 ( 1.002 1.773 -1.370) 2.455 3.634 ( -4.143 4.208 1.306) 6.048 3.784 ( -7.014 -3.794 -3.261) 8.615 3.937 ( 1.303 0.890 -4.457) 4.728 4.176 ( -1.734 -2.534 1.760) 3.539 4.292 ( 0.522 2.072 -2.661) 3.413 4.355 ( 4.014 -0.058 -1.467) 4.274 4.515 ( 0.712 -6.513 3.881) 7.614 4.755 ( -1.945 -3.095 -3.968) 5.396 4.806 ( -3.264 2.563 1.856) 4.546 4.897 ( 3.458 1.626 -0.852) 3.915 5.162 ( 1.123 0.935 4.009) 4.267 5.349 ( 5.091 -0.463 4.925) 7.099 5.567 ( -4.386 0.856 -0.888) 4.556 5.665 ( 0.188 -2.747 -4.639) 5.395 5.806 ( -1.886 -7.124 -1.098) 7.451 5.890 ( 3.436 0.019 -2.314) 4.142 6.027 ( -2.303 -0.556 -1.577) 2.846 6.170 ( -3.462 -0.430 -3.022) 4.616 6.358 ( -1.609 -3.067 1.366) 3.723 6.422 ( 2.830 2.148 3.189) 4.774 6.670 ( 2.139 -2.288 -6.573) 7.281 6.946 ( 0.532 -5.345 -3.283) 6.295 7.146 ( -3.296 2.442 0.402) 4.122 7.318 ( 2.900 0.439 -7.010) 7.599 7.369 ( 3.379 -3.267 4.021) 6.186 7.430 ( 8.621 -3.564 4.169) 10.218 7.570 ( -2.503 6.479 0.213) 6.949 7.816 ( 6.708 -3.094 -1.381) 7.515 7.949 ( 5.620 -1.715 -4.544) 7.428 8.111 ( 3.906 -1.866 2.822) 5.167 8.441 ( -6.533 2.820 3.602) 7.975 8.735 ( -0.242 2.813 -0.763) 2.925 8.751 ( -4.247 -1.346 5.695) 7.230 8.774 ( -2.552 10.927 12.939) 17.127 9.096 ( -1.745 1.572 -2.431) 3.381 9.493 ( 1.574 -5.068 -7.752) 9.394 9.645 ( -1.826 -5.993 -15.113) 16.360 9.865 ( 3.226 -1.152 5.359) 6.360 10.066 ( -2.595 -1.156 10.766) 11.135 10.249 ( -0.046 2.747 -1.660) 3.210 10.323 ( 2.410 1.547 -2.711) 3.944 10.381 ( -5.983 7.198 -0.399) 9.369 10.610 ( -3.339 3.590 -2.675) 5.585 10.815 ( -3.670 2.384 4.254) 6.103 11.120 ( -5.252 7.560 -9.478) 13.212 11.386 ( 1.198 1.159 0.904) 1.896 12.057 ( -4.342 5.108 -1.597) 6.892 12.462 ( -2.574 -3.306 -0.268) 4.199 12.687 ( -3.376 5.761 13.494) 15.056 12.738 ( -2.701 -4.632 1.009) 5.456 12.804 ( -2.695 -0.574 2.245) 3.554 13.008 ( 3.436 4.395 5.241) 7.654 13.220 ( 1.971 0.037 -0.829) 2.139 13.551 ( 5.338 -2.848 -10.497) 12.116 14.133 ( 1.751 -2.341 -6.175) 6.832 14.164 ( -0.608 -2.312 0.238) 2.402 14.751 ( -0.376 2.075 2.752) 3.467 14.882 ( -4.004 1.292 -4.209) 5.951 14.958 ( 7.190 5.923 5.309) 10.722 15.092 ( 1.729 1.018 -1.085) 2.281 15.204 ( -4.514 -4.342 -3.518) 7.184 15.221 ( -1.731 -1.142 1.669) 2.662 15.499 ( 1.104 -2.190 5.028) 5.594 15.682 ( 4.172 -3.608 -1.124) 5.629 16.151 ( 9.351 -9.072 9.823) 16.317 16.267 ( 0.113 1.019 -17.312) 17.342 17.152 ( 2.953 5.993 13.311) 14.894 17.610 ( -1.274 -3.888 14.915) 15.466 17.735 ( -14.692 9.955 -8.711) 19.770 18.883 ( -2.798 0.382 -11.387) 11.732 19.784 ( -0.919 1.721 4.911) 5.285 20.084 ( -0.157 -1.969 -7.376) 7.636 20.821 ( 0.416 4.092 6.923) 8.052 21.112 ( -4.170 -3.763 -3.202) 6.466 21.366 ( 2.216 2.888 5.101) 6.267 21.531 ( 3.919 2.074 -1.596) 4.712 22.035 ( -7.107 -2.364 3.127) 8.116 22.216 ( 4.125 6.338 -1.059) 7.636 22.460 ( -22.995 -12.478 -4.997) 26.635 22.603 ( 12.593 14.894 -1.144) 19.538 24.115 ( 15.243 -13.582 1.248) 20.454 24.883 ( 4.144 0.637 -1.468) 4.442 25.196 ( 0.147 -1.855 -2.103) 2.808 25.304 ( -0.459 1.083 -0.084) 1.179 25.451 ( -1.847 1.119 4.577) 5.061 25.853 ( 0.784 1.713 -0.203) 1.895 26.972 ( -0.167 -0.203 0.224) 0.345 27.105 ( 0.634 0.153 -0.956) 1.157 27.231 ( -1.636 -1.876 -0.112) 2.491 27.632 ( 1.346 -0.716 -1.654) 2.250 ======================= Grid point 71 (26/78) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.816 0.952 2.414) 2.721 1.707 ( 2.544 0.180 -2.369) 3.481 2.068 ( -15.293 2.468 6.494) 16.797 2.090 ( 0.721 1.993 2.959) 3.639 2.155 ( 8.742 -0.893 8.258) 12.058 2.651 ( -1.860 9.874 -1.507) 10.160 2.751 ( 7.989 -0.768 6.373) 10.248 2.831 ( -7.723 -3.757 -6.156) 10.567 3.067 ( 0.668 -1.836 3.631) 4.123 3.343 ( -2.304 -2.164 1.790) 3.633 3.375 ( 2.121 6.699 -2.172) 7.355 3.500 ( 2.182 -2.866 -0.331) 3.617 3.642 ( 6.836 -4.306 5.359) 9.695 3.738 ( -5.279 -2.960 -3.702) 7.095 3.860 ( -2.370 2.785 -3.684) 5.191 4.150 ( -2.192 0.975 -3.802) 4.496 4.189 ( -2.910 4.196 -6.931) 8.609 4.497 ( 5.796 -2.514 5.504) 8.379 4.672 ( 1.670 -6.289 2.623) 7.016 4.746 ( -0.464 1.640 5.123) 5.399 4.788 ( -1.205 -5.374 -3.982) 6.796 4.925 ( 2.964 1.336 -0.901) 3.373 5.158 ( -0.808 0.774 3.359) 3.540 5.409 ( 0.929 4.323 5.219) 6.840 5.443 ( -4.654 2.075 -4.185) 6.594 5.684 ( -1.977 -4.017 -5.989) 7.477 5.846 ( -2.251 -2.281 -1.248) 3.439 5.914 ( 1.045 0.221 -2.413) 2.639 6.002 ( 0.279 0.950 -0.843) 1.300 6.148 ( 0.184 -0.578 -2.129) 2.214 6.411 ( 1.716 -2.310 3.308) 4.384 6.466 ( 7.263 4.086 5.514) 9.993 6.669 ( -1.527 -0.470 -11.764) 11.872 7.024 ( -0.957 0.750 0.856) 1.487 7.118 ( 2.923 -1.579 3.378) 4.738 7.249 ( -4.734 1.733 -5.785) 7.673 7.424 ( 0.138 4.599 -0.861) 4.681 7.486 ( 0.237 -5.533 1.983) 5.882 7.576 ( 2.579 0.001 3.949) 4.716 7.804 ( -1.455 3.788 -7.537) 8.560 8.063 ( 3.365 -2.542 0.265) 4.226 8.204 ( 1.756 -1.829 2.592) 3.626 8.344 ( -4.639 2.272 0.447) 5.185 8.595 ( -4.638 7.642 11.780) 14.788 8.723 ( 3.397 3.571 3.503) 6.046 8.772 ( -0.026 -3.759 1.603) 4.087 9.062 ( -0.078 -0.945 -2.805) 2.961 9.512 ( 0.391 -4.049 -13.088) 13.706 9.652 ( -6.404 4.795 -5.067) 9.470 9.935 ( 0.657 -4.007 4.008) 5.706 10.030 ( 0.538 0.378 -0.718) 0.973 10.243 ( 4.948 -7.236 10.966) 14.039 10.340 ( 0.953 -1.326 0.001) 1.633 10.382 ( 1.676 -2.337 -1.442) 3.218 10.532 ( -2.266 1.721 -0.109) 2.847 10.765 ( -3.235 2.445 -0.582) 4.096 10.961 ( 1.419 2.231 -9.714) 10.068 11.390 ( 1.285 0.283 -0.683) 1.483 11.981 ( 1.141 0.674 -1.886) 2.305 12.463 ( -2.770 -2.877 1.773) 4.370 12.649 ( 2.052 4.502 11.314) 12.349 12.753 ( -0.797 0.195 1.530) 1.736 12.797 ( -3.669 -3.452 3.159) 5.946 13.000 ( -0.328 2.066 5.819) 6.184 13.245 ( 1.019 -0.688 -0.863) 1.502 13.612 ( 3.624 -1.314 -9.977) 10.696 14.131 ( -4.490 -2.607 -3.470) 6.245 14.213 ( 4.777 0.102 -1.767) 5.095 14.691 ( -6.582 0.563 2.608) 7.102 14.847 ( 3.842 2.154 -1.129) 4.547 14.986 ( 7.563 5.291 2.052) 9.456 15.094 ( 1.506 1.214 -1.336) 2.351 15.204 ( -3.612 -4.570 -3.604) 6.849 15.229 ( -1.161 -1.627 3.357) 3.907 15.511 ( -2.890 0.536 3.416) 4.507 15.743 ( 0.815 0.035 0.011) 0.816 16.157 ( -2.797 3.600 -17.154) 17.750 16.409 ( 4.425 -6.690 15.990) 17.889 17.106 ( -0.664 8.972 4.234) 9.943 17.470 ( -7.807 0.206 -3.898) 8.729 17.746 ( 4.650 -6.295 11.731) 14.103 18.815 ( 0.284 1.556 -13.668) 13.759 19.772 ( 0.282 1.368 4.813) 5.012 20.098 ( 0.483 -2.600 -6.879) 7.370 20.794 ( 1.926 4.161 6.428) 7.896 21.111 ( -3.089 -4.074 -3.413) 6.148 21.353 ( -0.513 2.130 5.607) 6.019 21.538 ( 1.168 1.083 -1.234) 2.015 22.012 ( -2.364 -1.764 1.925) 3.522 22.184 ( 4.756 4.055 -2.283) 6.654 22.391 ( -6.570 -8.066 -4.013) 11.150 22.580 ( 3.492 4.017 -0.157) 5.325 24.354 ( -0.350 0.579 1.052) 1.251 24.863 ( 0.770 -0.595 0.362) 1.039 25.233 ( -0.782 1.401 -2.429) 2.911 25.272 ( 0.681 -1.070 -1.844) 2.238 25.446 ( -0.418 -0.350 4.564) 4.597 25.849 ( 0.378 -0.151 0.034) 0.409 26.974 ( 0.329 0.372 0.611) 0.787 27.114 ( 0.780 -0.510 -0.870) 1.275 27.233 ( -0.783 -0.611 -0.103) 0.999 27.637 ( 0.024 0.698 -1.232) 1.416 ======================= Grid point 72 (27/78) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 4.147 7.027 4.228) 9.190 1.631 ( -19.801 6.628 10.911) 23.560 1.719 ( -1.132 5.230 -10.937) 12.175 2.103 ( -6.306 6.046 7.854) 11.747 2.192 ( 2.463 4.337 19.667) 20.290 2.491 ( 1.487 9.238 -7.153) 11.778 2.638 ( -6.983 7.409 -9.843) 14.161 2.937 ( -2.878 -2.306 3.319) 4.961 3.073 ( -1.508 -2.997 0.907) 3.475 3.239 ( -1.920 4.546 -1.515) 5.162 3.370 ( -4.689 -4.938 6.473) 9.395 3.569 ( -1.596 3.346 -4.935) 6.172 3.687 ( -1.134 -1.255 1.452) 2.229 3.779 ( -3.708 1.682 -2.250) 4.652 3.836 ( 6.834 -5.733 -2.827) 9.358 4.030 ( 1.905 2.352 3.491) 4.620 4.226 ( 4.878 -3.479 -1.453) 6.165 4.567 ( 0.674 -0.124 0.455) 0.823 4.690 ( -1.089 0.388 -2.947) 3.165 4.808 ( -1.323 -1.684 1.587) 2.666 4.850 ( 0.227 -5.763 2.246) 6.190 4.908 ( -3.139 -1.277 -3.401) 4.801 5.162 ( -0.383 -1.085 5.065) 5.194 5.252 ( -1.647 7.429 0.779) 7.649 5.421 ( 0.198 2.996 1.209) 3.237 5.693 ( -4.329 -4.684 -3.758) 7.403 5.810 ( 3.227 6.594 -0.808) 7.386 5.917 ( -3.969 -4.420 -2.424) 6.416 6.010 ( 4.830 2.619 0.616) 5.529 6.154 ( 3.739 2.759 -3.988) 6.123 6.461 ( 1.345 0.288 3.122) 3.411 6.527 ( 7.789 3.656 4.391) 9.660 6.606 ( -0.536 -0.133 -13.259) 13.271 6.874 ( -9.555 7.107 -2.449) 12.158 7.097 ( -4.672 1.240 1.809) 5.161 7.204 ( 3.297 5.802 -1.560) 6.854 7.438 ( -1.661 -2.039 3.156) 4.108 7.543 ( -1.912 1.910 -3.804) 4.666 7.575 ( 0.530 -3.601 5.728) 6.786 7.703 ( -2.029 2.521 -5.465) 6.351 8.081 ( -3.958 0.806 -2.409) 4.703 8.170 ( -4.312 2.205 -5.272) 7.159 8.246 ( -4.378 1.670 11.378) 12.305 8.534 ( 1.277 2.587 9.577) 10.002 8.756 ( 5.537 1.564 2.304) 6.198 8.877 ( 1.666 -7.444 2.223) 7.945 9.103 ( 1.386 -3.379 -2.368) 4.353 9.359 ( -10.568 10.766 -1.361) 15.147 9.573 ( 4.493 -4.039 -10.257) 11.904 10.010 ( 0.714 -3.504 4.951) 6.108 10.194 ( 4.395 -5.722 -0.937) 7.276 10.372 ( 4.059 -5.344 0.566) 6.735 10.385 ( -5.031 -4.566 -0.991) 6.866 10.426 ( 0.918 0.573 -1.036) 1.498 10.595 ( 0.894 -3.894 3.230) 5.138 10.692 ( 5.443 -4.510 -1.730) 7.277 11.027 ( 7.165 -2.771 -5.689) 9.559 11.413 ( 1.832 -0.885 -1.751) 2.685 12.054 ( 6.713 -3.190 -2.644) 7.889 12.512 ( -0.532 -5.317 5.368) 7.574 12.644 ( 2.343 4.981 9.313) 10.818 12.733 ( 0.993 2.971 1.238) 3.369 12.822 ( -3.661 -6.046 0.169) 7.070 12.976 ( -2.349 0.599 4.915) 5.480 13.258 ( 0.046 -0.281 -0.629) 0.691 13.630 ( 1.778 -0.248 -9.214) 9.388 14.086 ( -5.485 -2.249 -4.129) 7.225 14.247 ( 4.090 3.214 -2.958) 5.984 14.612 ( -5.819 -1.617 2.251) 6.445 14.886 ( 6.038 2.818 3.671) 7.608 15.021 ( 7.160 3.892 -0.602) 8.172 15.088 ( 1.308 1.517 -2.179) 2.960 15.218 ( -2.442 -4.176 -3.302) 5.857 15.253 ( -0.863 -1.721 2.462) 3.126 15.444 ( -4.870 1.827 3.825) 6.457 15.697 ( -3.772 3.933 2.286) 5.910 15.981 ( -5.426 5.769 -14.483) 16.507 16.578 ( -0.288 -5.085 20.188) 20.821 16.915 ( -5.075 8.320 -3.453) 10.339 17.428 ( -2.784 -1.816 1.717) 3.741 18.024 ( 10.972 -11.240 10.230) 18.745 18.760 ( 4.214 3.219 -15.127) 16.030 19.779 ( 1.191 1.032 3.891) 4.199 20.127 ( 1.050 -2.585 -7.025) 7.558 20.796 ( 3.384 3.162 7.278) 8.627 21.126 ( -1.217 -3.357 -3.584) 5.059 21.339 ( -3.196 -1.559 5.393) 6.460 21.527 ( -0.405 0.390 -1.279) 1.397 22.018 ( 1.014 0.589 2.611) 2.863 22.212 ( 5.090 1.697 -1.195) 5.497 22.499 ( 9.975 -5.057 -5.422) 12.428 22.570 ( -5.953 -5.452 -0.229) 8.076 24.104 ( -15.352 14.185 1.229) 20.938 24.909 ( -3.287 -0.635 -1.689) 3.750 25.163 ( 0.454 1.865 -0.918) 2.128 25.318 ( 0.754 -2.718 -0.640) 2.893 25.468 ( 0.301 -0.702 3.982) 4.055 25.868 ( 0.151 -1.804 0.053) 1.811 26.970 ( -0.423 0.281 0.166) 0.534 27.136 ( 1.891 -0.201 -1.019) 2.158 27.228 ( 0.077 0.585 -0.043) 0.591 27.602 ( -1.216 2.423 -1.726) 3.214 ======================= Grid point 73 (28/78) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -18.333 13.139 9.567) 24.500 1.315 ( -10.615 14.900 14.466) 23.323 1.730 ( 6.657 2.435 -0.062) 7.089 1.933 ( -10.010 5.866 -2.224) 11.814 2.047 ( -7.241 14.001 14.110) 21.155 2.299 ( -6.282 11.894 -8.780) 16.062 2.462 ( -0.956 1.854 0.485) 2.142 2.750 ( -8.530 9.060 3.135) 12.832 3.076 ( -3.006 1.933 -1.226) 3.779 3.186 ( -8.607 0.266 -4.849) 9.882 3.345 ( -1.900 -0.205 6.669) 6.938 3.513 ( 5.970 -0.729 -0.536) 6.038 3.638 ( -4.980 0.675 -5.184) 7.220 3.766 ( -1.553 -5.474 7.815) 9.667 4.069 ( 10.715 -5.719 -1.232) 12.208 4.097 ( 3.605 0.379 3.512) 5.047 4.342 ( 5.011 -1.891 -0.492) 5.378 4.550 ( -6.395 -1.950 -8.585) 10.881 4.616 ( -3.834 1.575 -8.654) 9.595 4.731 ( -0.376 3.193 -0.312) 3.230 4.910 ( -1.797 -3.638 2.827) 4.945 4.980 ( 1.226 -7.445 -0.706) 7.578 5.170 ( -1.732 -1.004 1.764) 2.668 5.241 ( 2.412 -0.437 9.556) 9.865 5.339 ( -4.410 3.989 0.079) 5.947 5.681 ( -2.528 -1.048 1.479) 3.111 5.759 ( 4.820 6.346 -3.378) 8.655 5.936 ( -1.137 -4.498 -5.284) 7.032 6.060 ( 7.540 2.360 1.453) 8.033 6.133 ( 3.984 5.338 -4.796) 8.208 6.458 ( -0.221 3.400 2.045) 3.974 6.557 ( -0.933 1.793 -6.327) 6.642 6.596 ( 3.659 3.415 -6.717) 8.376 6.653 ( 0.186 3.555 1.012) 3.701 7.012 ( -5.923 1.990 4.242) 7.552 7.163 ( 3.024 4.513 0.786) 5.489 7.326 ( -7.777 5.291 0.884) 9.448 7.448 ( -3.462 2.576 -3.819) 5.762 7.623 ( -6.256 -0.678 -3.660) 7.279 7.683 ( 1.931 -1.240 6.375) 6.776 7.934 ( -8.074 -0.110 -8.444) 11.683 8.110 ( 0.484 2.757 0.878) 2.933 8.235 ( -1.485 -0.247 13.842) 13.923 8.569 ( 1.685 0.197 7.952) 8.131 8.826 ( 5.531 0.611 1.576) 5.783 8.999 ( -3.078 0.893 4.254) 5.326 9.087 ( -4.655 -5.585 -4.315) 8.455 9.216 ( 2.616 -1.506 2.047) 3.648 9.665 ( 7.413 -0.096 -8.081) 10.967 10.084 ( -1.784 -4.061 5.472) 7.044 10.185 ( -4.046 1.523 1.173) 4.479 10.340 ( -7.150 -2.140 2.347) 7.823 10.413 ( -1.002 -6.197 -13.764) 15.128 10.588 ( 0.123 -1.233 -4.114) 4.296 10.674 ( 12.158 -9.271 4.989) 16.083 10.965 ( 8.389 -7.351 2.510) 11.433 11.162 ( 7.125 -4.378 -2.495) 8.726 11.449 ( 2.209 -1.010 -3.177) 3.999 12.193 ( 7.669 -1.499 -2.156) 8.106 12.609 ( -0.229 -0.861 14.703) 14.730 12.621 ( 1.776 4.520 2.726) 5.569 12.715 ( 3.748 1.911 -0.510) 4.238 12.887 ( -4.616 -11.254 -7.221) 14.146 12.960 ( -1.188 -0.474 3.528) 3.753 13.252 ( -0.088 0.621 -1.805) 1.911 13.607 ( -1.805 0.033 -9.862) 10.025 14.024 ( -4.549 -1.087 -6.265) 7.818 14.213 ( 1.567 3.775 -4.325) 5.951 14.611 ( -0.362 -2.407 3.408) 4.188 14.948 ( 6.073 2.019 6.191) 8.904 15.056 ( 5.692 3.464 -0.453) 6.679 15.071 ( 1.046 1.634 -3.254) 3.788 15.237 ( -0.872 -2.130 -2.168) 3.162 15.250 ( -4.554 -2.335 -1.609) 5.365 15.383 ( -2.645 0.766 5.578) 6.221 15.541 ( -7.268 7.048 0.407) 10.132 15.741 ( -9.280 7.966 -5.434) 13.383 16.627 ( -5.759 -0.337 -10.637) 12.100 16.844 ( 3.484 -2.463 29.318) 29.627 17.428 ( -4.579 -3.445 6.213) 8.452 18.381 ( 11.729 -7.223 11.308) 17.822 18.802 ( 14.698 -2.085 -15.522) 21.478 19.794 ( 1.405 0.799 2.882) 3.304 20.156 ( 1.293 -2.077 -7.475) 7.865 20.837 ( 4.110 1.699 8.150) 9.285 21.153 ( 0.974 -1.863 -3.465) 4.053 21.344 ( -5.296 -4.555 4.216) 8.159 21.505 ( -2.974 -0.716 -1.343) 3.341 22.053 ( 7.250 3.120 4.089) 8.890 22.245 ( 1.565 -0.265 -0.391) 1.635 22.550 ( 2.730 3.513 0.445) 4.472 22.777 ( 4.076 -16.792 -9.204) 19.578 23.622 ( -18.027 16.157 3.107) 24.407 24.692 ( -15.087 9.150 -5.699) 18.542 25.207 ( 2.960 -1.329 1.042) 3.407 25.371 ( 0.619 -3.324 -0.519) 3.420 25.508 ( 1.039 -2.227 6.038) 6.518 25.903 ( 0.093 -2.485 -0.239) 2.498 26.956 ( -1.778 -0.462 -0.666) 1.954 27.160 ( 2.926 1.118 -2.096) 3.769 27.219 ( 0.786 1.326 0.117) 1.546 27.512 ( -2.866 5.191 -3.325) 6.798 ======================= Grid point 74 (29/78) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -11.324 13.787 16.903) 24.577 0.886 ( -22.737 19.834 12.201) 32.545 1.443 ( -18.190 16.656 36.674) 44.196 1.735 ( 2.843 4.504 -8.838) 10.319 1.974 ( -3.444 10.445 -2.096) 11.196 2.161 ( 10.374 -5.435 -2.569) 11.990 2.394 ( -6.216 1.742 1.782) 6.697 2.574 ( -3.122 5.860 6.464) 9.267 2.975 ( -5.428 1.501 -0.209) 5.635 3.022 ( -2.815 6.682 -7.613) 10.513 3.306 ( -6.591 0.114 -0.568) 6.616 3.596 ( -4.381 -5.608 3.326) 7.856 3.704 ( 14.286 1.094 1.242) 14.381 3.892 ( 1.342 -8.789 5.296) 10.349 4.089 ( -0.432 1.941 -1.746) 2.646 4.201 ( 2.291 0.163 -4.239) 4.821 4.318 ( -15.258 1.963 -11.102) 18.972 4.432 ( 5.237 -0.700 0.346) 5.295 4.604 ( 2.061 -1.258 -8.961) 9.281 4.737 ( 3.927 0.908 -3.437) 5.297 4.954 ( -5.097 -5.344 5.412) 9.155 5.065 ( 0.485 0.149 1.266) 1.364 5.188 ( -3.559 -6.051 -3.650) 7.912 5.219 ( -0.649 2.066 2.017) 2.959 5.296 ( -2.819 -0.642 6.363) 6.989 5.685 ( 2.249 1.378 2.680) 3.760 5.719 ( 0.850 2.569 -4.988) 5.675 5.947 ( 0.287 0.860 -9.375) 9.419 6.073 ( 1.487 5.242 -2.234) 5.889 6.177 ( 7.310 -3.293 2.177) 8.308 6.371 ( 0.334 3.832 3.206) 5.007 6.469 ( 1.424 8.168 -5.788) 10.112 6.604 ( 0.782 -5.442 -1.891) 5.814 6.713 ( 5.466 1.940 2.132) 6.180 6.905 ( -5.998 2.582 1.171) 6.634 7.055 ( -10.511 5.297 -2.917) 12.127 7.244 ( 6.614 2.636 4.382) 8.361 7.344 ( -3.972 1.945 -3.603) 5.705 7.518 ( -6.284 -0.039 -4.442) 7.696 7.706 ( -2.619 -0.726 2.850) 3.938 7.871 ( -2.126 -1.774 -1.034) 2.955 8.117 ( 1.389 -0.629 -2.178) 2.659 8.386 ( 19.841 -3.895 28.167) 34.673 8.597 ( 0.082 1.193 8.302) 8.388 8.878 ( -2.434 -0.427 1.695) 2.997 8.901 ( 3.057 1.406 -0.988) 3.507 9.191 ( -0.336 -7.260 1.301) 7.383 9.316 ( -0.076 -7.460 4.784) 8.862 9.695 ( 8.584 7.851 -7.144) 13.652 10.108 ( -6.715 -5.820 4.422) 9.926 10.129 ( -4.117 -1.709 -0.708) 4.513 10.301 ( -4.580 -1.413 4.752) 6.750 10.468 ( -1.130 -7.420 -11.402) 13.651 10.598 ( -0.366 -1.560 -4.388) 4.671 10.953 ( 9.490 -4.625 1.517) 10.665 11.065 ( 0.023 1.102 -1.699) 2.025 11.334 ( 4.624 -5.849 0.234) 7.459 11.474 ( 2.557 0.567 -4.608) 5.300 12.272 ( 5.030 1.838 0.121) 5.357 12.542 ( 5.000 13.552 -2.540) 14.666 12.601 ( -2.520 2.836 12.819) 13.369 12.786 ( 2.800 -2.356 1.562) 3.979 12.923 ( -6.912 -5.816 -6.506) 11.133 12.982 ( -2.871 -3.234 -5.516) 7.009 13.182 ( -6.016 5.036 -5.589) 9.633 13.469 ( -9.059 2.411 -8.697) 12.788 13.990 ( 0.080 -1.390 -1.870) 2.331 14.186 ( 2.662 0.905 -7.275) 7.799 14.682 ( 4.720 -1.322 5.479) 7.352 15.002 ( -0.174 0.966 3.758) 3.884 15.050 ( -1.300 0.745 -1.760) 2.312 15.081 ( 6.858 2.401 1.985) 7.532 15.191 ( -4.591 -0.279 -1.271) 4.771 15.247 ( -2.539 -1.671 -3.942) 4.978 15.317 ( -5.728 5.856 -2.445) 8.549 15.358 ( -2.661 1.472 1.911) 3.592 15.527 ( -6.210 4.378 8.332) 11.277 16.488 ( -4.069 0.860 -20.906) 21.315 17.189 ( 14.198 -7.655 26.075) 30.661 17.486 ( -8.325 -15.724 13.872) 22.561 18.685 ( 23.683 -6.299 21.758) 32.771 19.137 ( 19.947 -9.643 -9.026) 23.923 19.810 ( 1.151 0.600 2.893) 3.171 20.177 ( 1.211 -1.494 -7.486) 7.729 20.897 ( 3.622 1.280 6.849) 7.853 21.179 ( 1.700 0.016 -3.256) 3.673 21.349 ( -7.251 -5.664 1.897) 9.395 21.444 ( -6.588 -0.448 -2.093) 6.927 22.173 ( 16.556 4.126 6.447) 18.240 22.263 ( -1.341 -2.284 -0.164) 2.653 22.528 ( -4.766 -1.187 0.800) 4.976 22.708 ( -15.646 14.611 -14.064) 25.614 23.501 ( 7.655 -11.449 5.956) 15.005 24.204 ( -23.368 17.219 -8.896) 30.359 25.250 ( 1.306 -0.070 1.443) 1.947 25.417 ( 0.230 -2.096 -2.705) 3.429 25.655 ( 3.352 -11.783 10.031) 15.834 25.932 ( -0.571 -1.525 -1.376) 2.132 26.931 ( -1.819 -0.022 -0.512) 1.890 27.154 ( 3.366 5.262 -4.442) 7.665 27.211 ( 1.145 1.574 0.048) 1.947 27.333 ( -5.280 9.300 -2.840) 11.064 ======================= Grid point 76 (30/78) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 16.307 -0.000 13.566) 21.212 1.349 ( 25.409 -0.000 5.344) 25.965 1.633 ( 11.495 -0.000 3.248) 11.945 1.729 ( 14.992 -0.000 -14.600) 20.927 2.037 ( -5.096 0.000 -4.299) 6.667 2.484 ( 12.427 -0.000 27.236) 29.937 2.580 ( 9.240 -0.000 6.280) 11.172 2.667 ( 6.657 -0.000 13.155) 14.744 2.921 ( 0.669 -0.000 5.742) 5.781 3.094 ( 8.498 -0.000 -10.090) 13.192 3.127 ( 3.465 -0.000 -10.989) 11.523 3.532 ( 3.764 -0.000 -5.069) 6.314 3.580 ( 2.618 -0.000 12.096) 12.376 3.698 ( -4.233 0.000 -2.934) 5.151 3.915 ( -6.279 0.000 2.716) 6.841 4.042 ( 0.557 -0.000 -4.980) 5.012 4.353 ( -6.011 0.000 -4.436) 7.470 4.514 ( 0.247 -0.000 -4.399) 4.406 4.630 ( -4.830 0.000 -4.474) 6.584 4.714 ( -2.890 0.000 -9.442) 9.874 4.863 ( -0.847 0.000 2.116) 2.279 5.014 ( -4.585 0.000 5.187) 6.923 5.196 ( 1.651 -0.000 5.277) 5.529 5.328 ( 6.006 -0.000 1.212) 6.127 5.432 ( 6.610 -0.000 4.547) 8.023 5.547 ( -9.629 0.000 6.226) 11.466 5.589 ( -2.761 0.000 -7.907) 8.375 5.819 ( 0.242 -0.000 -2.946) 2.955 6.108 ( 1.407 -0.000 0.205) 1.422 6.124 ( -1.543 0.000 -6.045) 6.239 6.380 ( -3.745 0.000 0.043) 3.745 6.406 ( -4.179 0.000 -3.417) 5.398 6.723 ( 2.857 -0.000 -0.747) 2.954 6.731 ( 6.267 -0.000 -0.896) 6.331 7.005 ( 9.807 -0.000 5.081) 11.044 7.123 ( 16.390 -0.000 0.652) 16.403 7.316 ( 6.296 -0.000 1.928) 6.584 7.351 ( -9.810 0.000 -8.357) 12.887 7.556 ( 10.643 -0.000 -0.216) 10.645 7.786 ( 4.885 -0.000 4.578) 6.695 7.914 ( -4.229 0.000 -1.463) 4.475 8.010 ( 2.485 -0.000 -0.099) 2.487 8.582 ( -1.648 0.000 5.415) 5.661 8.735 ( -8.757 0.000 2.634) 9.144 8.959 ( 2.464 -0.000 -1.838) 3.074 8.997 ( 2.700 -0.000 1.890) 3.296 9.145 ( -10.604 0.000 5.036) 11.739 9.481 ( -2.562 0.000 -9.010) 9.367 9.683 ( -12.072 0.000 -16.888) 20.758 9.939 ( -4.573 0.000 14.875) 15.562 10.059 ( -5.143 0.000 4.544) 6.863 10.328 ( 2.628 -0.000 0.805) 2.749 10.464 ( 1.232 -0.000 0.848) 1.496 10.548 ( 0.762 -0.000 -5.405) 5.458 10.814 ( 1.423 -0.000 -2.776) 3.119 11.221 ( 0.979 -0.000 1.360) 1.676 11.277 ( -7.654 0.000 -1.371) 7.775 11.408 ( -4.181 0.000 -5.086) 6.584 12.226 ( -7.876 0.000 -1.366) 7.993 12.337 ( -1.190 0.000 3.745) 3.930 12.490 ( -3.562 0.000 7.426) 8.236 12.817 ( -3.408 0.000 -4.229) 5.431 12.820 ( -5.230 0.000 12.780) 13.809 13.168 ( 5.693 -0.000 0.936) 5.770 13.355 ( 0.128 -0.000 -4.172) 4.174 13.497 ( 17.394 -0.000 -22.568) 28.493 13.927 ( -2.974 0.000 1.369) 3.274 14.079 ( -2.228 0.000 -5.786) 6.200 14.860 ( -6.351 0.000 0.779) 6.398 14.990 ( 1.228 -0.000 7.184) 7.288 15.014 ( -2.815 0.000 -3.297) 4.335 15.140 ( 1.272 -0.000 3.412) 3.642 15.210 ( 1.795 -0.000 -5.666) 5.944 15.237 ( 4.603 -0.000 4.643) 6.538 15.247 ( 8.696 -0.000 -0.971) 8.750 15.417 ( 8.899 -0.000 -0.720) 8.928 15.670 ( 7.810 -0.000 12.036) 14.348 16.282 ( 3.696 -0.000 -19.549) 19.895 17.411 ( -6.514 0.000 27.783) 28.537 17.510 ( -3.871 0.000 -5.494) 6.720 18.368 ( -25.275 0.000 13.177) 28.504 19.092 ( -18.953 0.000 -5.864) 19.839 19.845 ( -2.166 0.000 5.760) 6.154 20.062 ( -3.253 0.000 -9.054) 9.621 20.921 ( -1.057 0.000 8.182) 8.250 21.039 ( -7.173 0.000 -3.376) 7.928 21.361 ( 2.803 -0.000 0.973) 2.967 21.550 ( 5.260 -0.000 -0.452) 5.279 22.025 ( -16.754 0.000 5.666) 17.686 22.085 ( -19.302 0.000 -6.400) 20.335 22.671 ( 23.725 -0.000 3.740) 24.018 22.961 ( 23.116 -0.000 -8.354) 24.579 23.982 ( 11.572 -0.000 -2.163) 11.772 24.094 ( 15.887 -0.000 -5.388) 16.776 25.266 ( -1.471 0.000 3.067) 3.402 25.299 ( -4.553 0.000 0.209) 4.558 25.548 ( -4.228 0.000 7.336) 8.467 25.909 ( -4.078 0.000 -0.766) 4.150 26.960 ( -0.447 0.000 -1.087) 1.175 27.137 ( -2.428 0.000 -2.593) 3.552 27.228 ( 1.509 -0.000 -0.949) 1.783 27.506 ( 6.632 -0.000 -6.237) 9.104 ======================= Grid point 77 (31/78) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 3.216 -1.222 6.665) 7.501 1.627 ( 9.722 -5.005 -0.856) 10.968 1.739 ( 17.262 8.107 -2.693) 19.260 1.920 ( 5.807 -1.789 3.799) 7.166 2.133 ( 10.060 -4.460 -6.175) 12.619 2.511 ( -0.369 -3.808 4.701) 6.061 2.831 ( 7.973 -0.838 8.850) 11.941 2.898 ( 7.759 -2.243 3.532) 8.816 2.956 ( 5.765 -0.597 10.968) 12.405 3.177 ( 10.549 3.192 -1.402) 11.110 3.201 ( 7.145 -4.593 -12.183) 14.852 3.564 ( 3.656 3.863 2.073) 5.709 3.671 ( 3.480 -0.284 3.487) 4.934 3.801 ( 10.195 -5.690 1.326) 11.751 3.814 ( -5.716 1.469 2.170) 6.288 4.097 ( 4.291 -3.465 2.236) 5.951 4.287 ( -2.343 -0.986 0.185) 2.549 4.441 ( -7.072 3.878 1.535) 8.210 4.468 ( -5.447 2.740 -9.388) 11.194 4.642 ( -6.006 -3.115 -6.979) 9.720 4.855 ( -1.500 0.168 0.215) 1.524 4.954 ( -2.887 2.054 4.139) 5.449 5.197 ( -2.523 0.593 5.298) 5.898 5.327 ( -3.965 -0.762 0.417) 4.059 5.509 ( -5.090 -4.916 -2.826) 7.620 5.544 ( 2.339 -0.942 -0.555) 2.582 5.588 ( 2.480 -4.667 3.784) 6.500 5.844 ( 1.524 -2.418 -2.432) 3.753 6.092 ( 3.215 2.345 -4.447) 5.968 6.138 ( -0.389 -1.294 -4.248) 4.457 6.335 ( -1.615 0.806 -1.605) 2.415 6.451 ( 9.771 -0.264 4.156) 10.622 6.701 ( 3.497 3.995 -3.759) 6.506 6.817 ( 2.006 -3.381 -4.056) 5.648 7.176 ( -4.586 0.102 -3.854) 5.992 7.221 ( 6.221 -3.953 3.733) 8.263 7.335 ( 9.829 -0.332 -2.401) 10.123 7.442 ( 11.787 1.424 3.138) 12.280 7.687 ( 8.080 0.450 -1.123) 8.170 7.794 ( -1.165 3.574 -0.226) 3.766 7.900 ( 2.831 -1.774 0.655) 3.404 8.030 ( -1.793 -2.948 -1.117) 3.627 8.535 ( -4.443 3.046 4.115) 6.779 8.663 ( -6.164 -3.407 3.512) 7.870 8.911 ( 1.414 8.224 -3.391) 9.007 8.989 ( -4.083 1.712 10.883) 11.749 9.179 ( 5.299 -5.468 0.906) 7.668 9.374 ( -2.204 3.588 -5.916) 7.261 9.508 ( -7.143 -1.931 -19.155) 20.535 9.903 ( -2.715 2.838 10.990) 11.671 10.026 ( -5.447 -1.988 8.589) 10.363 10.299 ( 2.620 4.076 -0.494) 4.871 10.444 ( 0.668 4.260 -1.223) 4.482 10.532 ( -1.573 -0.105 -3.173) 3.543 10.776 ( -0.476 4.411 -2.597) 5.140 11.002 ( -11.241 11.263 1.475) 15.981 11.277 ( -4.294 -1.380 -4.088) 6.087 11.339 ( -5.376 -2.225 -2.644) 6.391 12.122 ( -10.948 -2.227 -2.632) 11.478 12.336 ( -2.592 -2.495 5.828) 6.849 12.508 ( -4.655 -6.068 4.320) 8.784 12.757 ( -4.159 -1.088 -4.743) 6.402 12.784 ( -5.542 1.211 15.993) 16.969 13.221 ( 5.697 3.622 -0.086) 6.752 13.308 ( -2.251 4.631 -0.296) 5.158 13.516 ( 7.867 3.561 -15.901) 18.094 13.982 ( -2.581 -7.482 -1.792) 8.115 14.064 ( 0.055 -2.732 -4.051) 4.886 14.789 ( -4.264 0.807 2.803) 5.166 14.940 ( -0.406 2.520 -5.772) 6.311 15.034 ( -2.046 -3.251 -0.457) 3.868 15.148 ( 1.472 1.646 7.659) 7.971 15.206 ( 2.656 1.980 -4.366) 5.481 15.270 ( 8.628 6.525 1.140) 10.878 15.423 ( 6.129 -2.836 4.136) 7.919 15.563 ( 8.310 -3.247 -1.095) 8.989 15.890 ( 10.397 -6.810 10.077) 16.001 16.280 ( 3.840 0.109 -17.932) 18.339 17.330 ( -4.355 5.879 14.852) 16.556 17.494 ( -5.937 -4.446 12.778) 14.775 18.071 ( -13.475 9.124 -1.789) 16.371 18.846 ( -11.668 -2.065 -8.327) 14.483 19.825 ( -2.140 0.921 5.533) 6.003 20.001 ( -4.191 -2.445 -7.860) 9.237 20.903 ( -3.728 1.153 4.743) 6.142 20.968 ( -6.439 -4.106 0.286) 7.642 21.389 ( 0.305 -0.066 2.311) 2.332 21.581 ( 0.389 1.122 -1.087) 1.610 21.809 ( -13.227 -3.340 -0.425) 13.649 21.938 ( -19.443 -11.223 -1.779) 22.520 22.816 ( 23.116 19.737 2.594) 30.506 23.333 ( 23.710 6.676 -6.121) 25.382 23.804 ( 15.110 11.834 1.407) 19.244 24.617 ( 11.301 -20.969 -4.513) 24.244 25.206 ( -4.474 2.381 1.280) 5.227 25.280 ( -2.231 -2.077 1.936) 3.611 25.504 ( -3.045 1.749 4.690) 5.859 25.847 ( -5.821 -1.840 -1.195) 6.220 26.968 ( 1.463 0.305 0.373) 1.540 27.094 ( -2.883 -0.607 -2.283) 3.728 27.225 ( 1.388 1.533 -0.927) 2.266 27.574 ( 2.167 -2.500 -3.252) 4.639 ======================= Grid point 78 (32/78) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -0.208 -0.949 1.436) 1.733 1.709 ( -0.564 -2.692 -2.833) 3.948 1.970 ( 5.410 -8.208 -0.539) 9.846 2.071 ( 10.655 -0.004 9.656) 14.380 2.195 ( 12.952 5.387 -3.060) 14.358 2.627 ( 2.818 -1.875 -6.296) 7.149 2.879 ( 0.685 4.058 16.810) 17.306 2.964 ( -0.494 4.482 -7.117) 8.425 3.060 ( 5.546 -0.260 8.747) 10.361 3.288 ( 3.169 -3.606 -1.750) 5.110 3.314 ( 4.877 -3.005 -0.807) 5.785 3.551 ( 2.153 3.413 1.401) 4.271 3.677 ( -3.907 3.342 -1.786) 5.442 3.692 ( 5.102 4.205 -1.407) 6.759 3.982 ( 2.638 0.990 -5.650) 6.314 4.130 ( -4.388 1.729 3.512) 5.880 4.334 ( 2.564 1.667 0.401) 3.084 4.399 ( 5.187 -2.242 3.343) 6.565 4.458 ( 3.768 -6.576 4.980) 9.069 4.623 ( -2.629 -5.625 -5.774) 8.478 4.812 ( -1.674 2.193 0.725) 2.853 4.932 ( -0.119 -0.433 1.023) 1.117 5.160 ( -4.958 -0.635 3.654) 6.191 5.287 ( -6.657 -6.506 -1.929) 9.506 5.509 ( -2.628 -4.196 -4.037) 6.388 5.582 ( 0.580 1.442 3.226) 3.581 5.699 ( 1.966 -3.856 0.373) 4.344 5.899 ( 0.202 -2.739 -2.546) 3.745 6.111 ( 2.605 2.302 -3.740) 5.106 6.135 ( 7.236 0.120 -1.804) 7.458 6.321 ( -1.355 -1.962 0.598) 2.459 6.618 ( 13.182 3.840 2.587) 13.972 6.676 ( 2.366 2.629 -5.411) 6.465 6.915 ( 7.307 -3.951 -2.667) 8.725 7.108 ( -1.557 -1.084 -2.956) 3.513 7.314 ( -0.285 -0.859 -1.292) 1.577 7.397 ( 1.179 2.203 -0.713) 2.598 7.552 ( 4.109 2.657 2.498) 5.494 7.664 ( 2.196 5.739 0.897) 6.210 7.853 ( 2.576 -1.376 -2.434) 3.802 7.948 ( 4.862 -3.386 -4.182) 7.251 8.096 ( 1.065 -5.100 2.945) 5.985 8.433 ( -4.096 3.688 2.574) 6.083 8.654 ( -4.894 -2.909 4.149) 7.045 8.791 ( -2.407 5.348 2.340) 6.314 8.961 ( 2.520 5.887 9.292) 11.285 9.157 ( 0.035 8.135 1.052) 8.203 9.398 ( -1.205 -2.018 -18.173) 18.325 9.486 ( 5.301 -10.037 -7.520) 13.616 9.876 ( -2.452 0.096 5.467) 5.993 10.044 ( -1.227 -3.587 14.905) 15.380 10.281 ( -1.860 3.029 -1.245) 3.766 10.366 ( -1.708 4.318 -2.946) 5.499 10.447 ( -2.599 6.601 1.051) 7.172 10.608 ( -4.756 5.811 -4.626) 8.820 10.809 ( -2.985 1.667 2.498) 4.234 11.125 ( -5.516 6.478 -7.845) 11.573 11.326 ( -5.705 -5.130 -0.986) 7.735 11.983 ( -9.715 -0.993 -2.809) 10.162 12.369 ( -3.172 -3.657 5.941) 7.663 12.539 ( -7.907 -8.355 0.960) 11.543 12.719 ( -3.902 -3.220 -3.617) 6.219 12.745 ( -3.934 1.957 17.902) 18.434 13.173 ( 1.172 7.692 2.444) 8.156 13.260 ( 2.465 1.748 -1.021) 3.189 13.564 ( 5.599 -1.659 -11.693) 13.070 14.020 ( -3.317 -4.515 -1.643) 5.838 14.122 ( 0.654 -4.844 -2.389) 5.441 14.707 ( -7.796 0.564 3.309) 8.488 14.909 ( 3.220 1.598 -6.272) 7.229 15.042 ( -2.832 -3.531 -3.139) 5.508 15.173 ( 1.140 1.363 7.170) 7.387 15.204 ( 5.605 4.115 -1.441) 7.101 15.290 ( 10.135 8.125 0.051) 12.990 15.512 ( 1.628 -0.324 4.251) 4.563 15.707 ( 6.442 -2.068 -1.046) 6.846 16.175 ( 8.323 -8.255 11.217) 16.225 16.245 ( 1.167 2.354 -17.000) 17.202 17.286 ( 1.122 1.766 7.719) 7.998 17.478 ( -14.729 -2.339 14.871) 21.061 17.771 ( -0.488 10.389 -5.343) 11.693 18.779 ( -2.567 -3.940 -10.615) 11.610 19.801 ( -1.755 0.676 5.217) 5.546 19.974 ( -4.532 -4.868 -6.317) 9.173 20.847 ( -7.186 -3.471 0.499) 7.996 20.960 ( -3.287 -2.075 3.945) 5.538 21.376 ( -3.895 -0.005 3.771) 5.422 21.523 ( -7.927 -2.608 -3.361) 8.996 21.754 ( -6.350 -5.659 -0.713) 8.536 21.873 ( -12.483 -10.806 -1.261) 16.558 22.820 ( 23.124 22.039 2.113) 32.014 23.263 ( 22.475 30.001 -3.752) 37.673 24.125 ( 14.678 -12.326 1.086) 19.198 24.906 ( 2.325 -3.299 -1.952) 4.483 25.131 ( -2.853 -2.744 -0.759) 4.031 25.283 ( -2.376 -1.274 0.683) 2.782 25.452 ( -2.628 1.106 3.899) 4.830 25.800 ( -6.246 -3.311 -0.647) 7.099 26.977 ( 0.185 0.508 0.293) 0.615 27.078 ( -0.915 -1.718 -0.648) 2.052 27.227 ( 1.317 0.385 -0.701) 1.541 27.616 ( 0.370 -1.843 -1.697) 2.532 ======================= Grid point 79 (33/78) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 9.008 -1.762 0.968) 9.230 1.735 ( 0.308 -2.281 -4.148) 4.744 1.930 ( -12.272 3.636 4.586) 13.596 2.208 ( 6.242 3.821 9.722) 12.169 2.383 ( 13.757 5.519 -0.475) 14.831 2.623 ( -3.493 -6.537 -8.280) 11.113 2.820 ( 0.502 10.847 -0.472) 10.869 2.854 ( -0.290 2.486 9.244) 9.577 3.084 ( -0.419 1.486 5.623) 5.831 3.275 ( -6.379 0.315 0.126) 6.388 3.413 ( -0.635 1.011 0.179) 1.207 3.554 ( 5.297 0.186 -0.858) 5.369 3.639 ( -0.826 0.070 -2.211) 2.362 3.753 ( 10.760 0.134 1.927) 10.932 3.901 ( 1.067 5.855 -4.468) 7.442 4.115 ( 0.052 -3.304 -0.069) 3.306 4.240 ( -0.940 9.391 -5.348) 10.848 4.504 ( -2.007 -4.230 3.936) 6.116 4.607 ( 1.609 -4.458 4.028) 6.220 4.697 ( 1.486 -4.193 -3.445) 5.626 4.782 ( 1.288 1.362 2.313) 2.978 4.911 ( -4.564 -0.502 -0.683) 4.642 5.126 ( -4.431 -2.216 3.698) 6.182 5.355 ( 0.919 -6.126 -1.599) 6.398 5.514 ( -2.767 6.692 4.408) 8.477 5.537 ( -0.637 -4.051 -2.500) 4.803 5.731 ( -3.751 -3.215 -5.317) 7.258 5.913 ( 0.497 -1.182 -1.000) 1.626 6.147 ( 8.589 3.416 1.291) 9.333 6.246 ( 9.069 2.278 -1.632) 9.492 6.372 ( 0.483 -4.877 2.542) 5.521 6.639 ( 1.516 2.120 -12.147) 12.423 6.681 ( 7.730 6.163 0.391) 9.894 7.073 ( 1.128 -1.620 -1.446) 2.447 7.133 ( 5.143 4.150 2.897) 7.216 7.271 ( 3.548 1.761 -1.036) 4.094 7.359 ( -4.445 -3.384 0.890) 5.657 7.502 ( -1.707 2.738 -0.006) 3.226 7.650 ( 1.942 4.543 2.118) 5.375 7.801 ( -2.188 2.015 -7.707) 8.261 8.083 ( 3.195 -1.078 1.276) 3.605 8.166 ( -1.987 -3.348 0.422) 3.916 8.314 ( -6.140 3.231 0.616) 6.966 8.628 ( -3.815 0.397 7.299) 8.246 8.729 ( -0.318 0.828 2.852) 2.987 8.933 ( 4.630 7.798 9.369) 13.039 9.095 ( 4.243 3.556 -1.317) 5.690 9.393 ( 2.419 -5.156 -18.999) 19.834 9.643 ( 0.357 1.109 -3.185) 3.391 9.854 ( -3.056 -4.265 4.532) 6.933 10.073 ( -1.693 4.506 2.254) 5.316 10.228 ( 3.853 -7.075 9.505) 12.460 10.324 ( -1.149 0.202 0.291) 1.203 10.406 ( 2.265 0.130 0.738) 2.386 10.506 ( -4.044 0.608 -1.988) 4.547 10.757 ( -3.083 2.973 -2.987) 5.222 10.984 ( 1.048 1.498 -5.646) 5.935 11.320 ( -5.308 -5.206 -2.550) 7.860 11.915 ( -4.625 -5.170 -2.554) 7.392 12.390 ( -2.055 -2.459 3.854) 5.013 12.556 ( -10.182 -10.113 0.952) 14.382 12.710 ( -4.122 -3.355 -0.570) 5.346 12.738 ( -1.686 1.091 16.003) 16.129 13.099 ( 0.582 5.208 3.818) 6.484 13.260 ( 1.315 1.306 -1.487) 2.376 13.616 ( 3.855 -1.137 -10.847) 11.568 14.019 ( -3.604 -2.058 -0.313) 4.162 14.207 ( 1.908 -4.831 -2.944) 5.971 14.594 ( -8.478 0.349 3.215) 9.074 14.932 ( 3.456 -0.573 -5.056) 6.151 15.050 ( -2.231 -3.474 -2.768) 4.970 15.177 ( 1.989 2.036 -0.225) 2.856 15.229 ( 6.283 4.803 4.968) 9.339 15.309 ( 10.594 8.324 -0.023) 13.473 15.510 ( -1.415 2.049 3.375) 4.195 15.778 ( 2.798 1.423 1.045) 3.308 16.132 ( -2.001 4.642 -15.974) 16.754 16.405 ( 2.622 -6.338 14.305) 15.864 17.213 ( -10.883 9.527 4.626) 15.186 17.361 ( 1.585 -3.952 -6.029) 7.381 17.779 ( 4.616 -2.282 12.726) 13.728 18.783 ( 1.825 -1.641 -12.805) 13.038 19.793 ( -0.999 -0.083 4.717) 4.822 19.984 ( -3.771 -6.541 -5.649) 9.430 20.827 ( -5.385 -5.528 0.250) 7.721 20.958 ( -3.511 -2.354 3.727) 5.636 21.314 ( -6.359 -0.660 2.701) 6.940 21.454 ( -9.667 -5.753 -2.512) 11.526 21.764 ( -4.498 -5.329 0.761) 7.014 21.913 ( -6.018 -11.603 -2.129) 13.243 22.818 ( 24.064 22.104 2.007) 32.736 23.160 ( 25.860 25.825 -3.316) 36.697 24.358 ( -0.264 0.347 0.922) 1.020 24.856 ( -2.127 0.774 0.308) 2.285 25.198 ( 0.138 -4.990 -2.213) 5.460 25.236 ( -4.422 1.167 -1.429) 4.791 25.439 ( -1.266 -1.110 4.482) 4.788 25.772 ( -6.007 -4.415 -0.432) 7.467 26.965 ( -1.605 -0.493 -0.225) 1.694 27.109 ( 1.536 -1.495 0.028) 2.144 27.243 ( 1.672 0.173 -0.094) 1.683 27.627 ( -0.767 -0.506 -1.175) 1.492 ======================= Grid point 80 (34/78) ======================= q-point: (-0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 13.474 5.330 2.371) 14.682 1.620 ( -10.175 13.587 9.017) 19.221 1.746 ( 3.972 0.662 -6.421) 7.579 2.160 ( -4.899 6.399 3.457) 8.769 2.356 ( -2.645 5.890 11.478) 13.170 2.557 ( -6.001 4.337 -6.426) 9.804 2.695 ( 2.055 10.207 -2.032) 10.608 2.932 ( 1.907 -1.560 6.632) 7.075 3.053 ( 0.335 4.637 -1.876) 5.013 3.200 ( -4.006 -2.816 6.287) 7.969 3.349 ( -0.130 4.958 -2.639) 5.618 3.560 ( -6.490 3.392 -1.392) 7.454 3.606 ( -1.999 -4.078 -3.099) 5.498 3.798 ( 2.543 4.732 -3.676) 6.509 3.965 ( 12.369 0.804 2.079) 12.568 4.113 ( 3.501 3.326 0.538) 4.859 4.225 ( 5.355 -5.017 -1.712) 7.536 4.495 ( -8.459 -2.563 -0.069) 8.839 4.634 ( -1.300 -0.422 -2.217) 2.604 4.719 ( -3.731 -3.105 -3.485) 5.976 4.815 ( -0.582 0.718 1.982) 2.187 4.884 ( 1.594 -1.658 4.612) 5.154 5.104 ( -5.519 -2.114 3.735) 6.991 5.365 ( -0.563 6.995 3.937) 8.047 5.422 ( -2.645 -0.373 0.519) 2.721 5.580 ( 0.271 -2.181 -3.915) 4.490 5.725 ( -3.769 -7.374 -3.235) 8.891 5.926 ( 1.296 2.040 0.211) 2.426 6.203 ( 7.564 5.432 1.453) 9.425 6.304 ( 6.442 2.985 -1.935) 7.359 6.440 ( 1.109 -1.446 -1.169) 2.165 6.600 ( 5.488 2.722 -12.705) 14.105 6.701 ( 5.265 2.875 -2.844) 6.639 6.915 ( -4.645 10.428 2.424) 11.671 7.100 ( -1.296 3.435 3.695) 5.209 7.335 ( 1.755 3.530 -2.875) 4.879 7.391 ( 0.827 0.944 2.076) 2.426 7.528 ( 3.604 -5.160 3.306) 7.109 7.559 ( -2.677 5.485 -3.342) 6.959 7.710 ( -2.988 2.794 -3.095) 5.130 7.989 ( -10.521 3.513 -6.024) 12.622 8.123 ( -5.483 -0.422 -2.427) 6.011 8.280 ( 1.775 0.666 10.929) 11.092 8.619 ( 1.514 1.841 9.720) 10.008 8.769 ( -0.997 -6.201 1.590) 6.479 8.932 ( 6.586 5.792 6.963) 11.198 9.114 ( 3.401 2.824 -1.698) 4.736 9.414 ( -6.337 10.379 -0.426) 12.168 9.502 ( 4.693 -6.658 -14.203) 16.373 9.958 ( -0.097 -5.174 5.403) 7.481 10.153 ( 3.859 -5.496 -3.200) 7.439 10.267 ( -6.600 -0.161 0.473) 6.619 10.364 ( 0.741 -1.105 0.678) 1.493 10.431 ( 1.562 -2.992 0.342) 3.392 10.576 ( 2.466 -3.504 2.621) 5.023 10.694 ( 5.862 -4.764 -1.940) 7.799 11.056 ( 5.304 -3.703 -1.947) 6.755 11.328 ( -4.516 -6.397 -4.237) 8.903 11.999 ( 0.852 -10.023 -2.586) 10.386 12.424 ( -1.471 -4.358 1.577) 4.863 12.573 ( -10.113 -10.401 2.351) 14.696 12.701 ( -2.318 -1.523 0.526) 2.823 12.759 ( -0.961 0.273 14.466) 14.501 13.050 ( 0.730 4.146 3.372) 5.393 13.249 ( -0.417 0.101 -1.793) 1.843 13.632 ( 2.344 0.341 -10.346) 10.614 13.988 ( -2.865 -0.271 -0.771) 2.979 14.266 ( 0.091 -1.299 -4.647) 4.826 14.516 ( -5.340 -2.458 4.705) 7.529 14.982 ( 2.773 -2.142 -4.213) 5.479 15.069 ( -1.487 -3.607 -2.526) 4.648 15.170 ( 3.480 3.476 -2.116) 5.354 15.253 ( 5.325 4.769 4.175) 8.278 15.322 ( 8.271 8.005 0.186) 11.513 15.453 ( -1.005 3.729 4.776) 6.142 15.737 ( -1.806 5.823 2.437) 6.566 15.956 ( -5.234 6.486 -11.814) 14.458 16.524 ( -3.300 -4.594 12.612) 13.822 16.953 ( -7.120 7.298 0.701) 10.220 17.424 ( 3.545 -0.405 -3.553) 5.035 18.002 ( 5.947 -11.327 14.543) 19.369 18.799 ( 5.272 -0.248 -14.111) 15.066 19.802 ( -0.427 -0.402 3.667) 3.714 20.026 ( -2.229 -6.725 -5.957) 9.256 20.863 ( -0.825 -3.298 4.039) 5.280 20.966 ( -5.223 -6.741 0.066) 8.528 21.262 ( -4.794 -1.810 2.351) 5.638 21.410 ( -8.789 -5.799 -1.464) 10.631 21.795 ( -3.995 -6.150 2.353) 7.702 22.019 ( -5.259 -13.255 -2.708) 14.515 22.831 ( 24.464 21.672 2.085) 32.749 23.187 ( 31.596 21.420 -3.939) 38.375 24.106 ( -15.602 14.141 1.135) 21.087 24.818 ( -9.577 1.096 -1.592) 9.770 25.168 ( -0.579 -0.803 -0.614) 1.165 25.255 ( -1.271 -4.382 -0.788) 4.630 25.464 ( -0.390 -1.569 4.184) 4.485 25.766 ( -5.058 -5.268 -0.889) 7.357 26.951 ( -1.460 -0.569 0.043) 1.567 27.151 ( 1.441 -1.337 -1.880) 2.720 27.268 ( 3.154 1.019 1.587) 3.675 27.600 ( -1.911 1.227 -1.417) 2.677 ======================= Grid point 81 (35/78) ======================= q-point: (-0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -0.953 19.448 13.461) 23.672 1.518 ( -0.738 18.458 3.024) 18.719 1.891 ( 6.435 2.317 2.303) 7.216 1.981 ( 0.204 9.700 -2.753) 10.085 2.187 ( -3.726 10.661 3.584) 11.849 2.386 ( -6.101 9.013 4.227) 11.676 2.493 ( -7.491 8.908 5.958) 13.076 2.825 ( -1.144 10.124 -5.540) 11.597 3.017 ( -3.470 0.699 -3.461) 4.950 3.184 ( 2.339 4.686 -4.077) 6.637 3.336 ( 0.154 -1.709 10.447) 10.586 3.396 ( -8.338 -0.369 -5.527) 10.010 3.668 ( -4.389 -5.365 3.335) 7.692 3.813 ( 16.205 3.677 0.688) 16.631 4.092 ( -1.296 -0.510 2.458) 2.825 4.187 ( 9.454 -1.341 -3.301) 10.103 4.351 ( -7.043 -1.913 -5.438) 9.102 4.371 ( 0.800 -0.797 0.563) 1.262 4.583 ( -3.125 0.805 -5.728) 6.575 4.750 ( -3.239 -7.194 0.304) 7.895 4.758 ( -0.934 0.804 -0.688) 1.411 4.972 ( 1.816 -2.209 2.313) 3.678 5.067 ( -6.540 -3.254 2.107) 7.602 5.299 ( -3.658 3.611 0.161) 5.143 5.357 ( 2.021 3.449 6.116) 7.307 5.605 ( -1.469 -3.885 0.492) 4.183 5.824 ( 2.518 -5.549 -2.885) 6.742 5.882 ( 0.008 3.449 -3.115) 4.648 6.207 ( 3.054 3.309 -1.785) 4.844 6.311 ( 5.036 5.753 -1.721) 7.837 6.444 ( -0.230 0.738 -2.515) 2.631 6.585 ( 1.867 4.854 -7.395) 9.041 6.688 ( 6.186 5.035 -3.575) 8.740 6.831 ( 6.069 4.997 4.571) 9.094 7.010 ( -4.383 4.559 3.113) 7.049 7.214 ( -5.745 7.239 -0.319) 9.247 7.369 ( 3.447 4.072 -1.034) 5.434 7.445 ( -1.790 4.289 -5.448) 7.161 7.544 ( -5.419 2.622 -2.673) 6.587 7.662 ( -3.167 -2.171 2.234) 4.442 7.828 ( -3.223 -0.316 -5.053) 6.002 8.059 ( -5.225 -2.562 -3.019) 6.556 8.351 ( 4.853 0.985 18.785) 19.427 8.653 ( 2.241 2.343 10.222) 10.724 8.871 ( -0.512 -6.359 0.112) 6.380 8.975 ( 0.865 1.424 -0.678) 1.799 9.040 ( 2.295 5.755 3.961) 7.354 9.265 ( -0.737 3.354 4.881) 5.968 9.656 ( 5.586 -7.805 -11.751) 15.173 10.021 ( -1.796 -0.961 4.870) 5.279 10.165 ( -2.042 0.959 0.734) 2.373 10.181 ( -5.004 -2.926 -9.479) 11.111 10.321 ( -3.772 -1.640 -3.236) 5.233 10.554 ( 0.445 -1.914 -4.819) 5.205 10.712 ( 8.786 -9.062 8.349) 15.133 10.967 ( 9.044 -8.570 1.552) 12.556 11.176 ( 2.748 -4.624 1.026) 5.476 11.361 ( -2.720 -7.028 -7.152) 10.390 12.181 ( 2.778 -9.583 -1.764) 10.133 12.494 ( -3.303 -9.473 -2.342) 10.302 12.604 ( -5.548 -5.599 5.641) 9.693 12.708 ( 0.738 -0.814 2.896) 3.098 12.795 ( 0.005 -1.160 10.738) 10.800 13.017 ( 1.321 3.188 1.442) 3.740 13.240 ( -0.917 -1.125 -3.706) 3.980 13.592 ( -0.429 3.397 -10.511) 11.055 13.956 ( -0.571 0.148 -1.777) 1.872 14.224 ( -1.458 1.382 -6.573) 6.873 14.557 ( -1.014 -5.335 6.413) 8.403 15.032 ( 0.122 -2.973 -4.572) 5.455 15.096 ( -0.665 -2.779 -2.536) 3.820 15.152 ( 4.060 5.169 -1.577) 6.759 15.241 ( -1.002 3.119 0.422) 3.303 15.294 ( 7.498 8.415 3.891) 11.923 15.427 ( 2.569 4.489 4.212) 6.670 15.575 ( -4.504 9.443 -3.680) 11.091 15.726 ( -8.358 7.832 1.406) 11.540 16.511 ( -5.171 -0.435 -8.473) 9.936 16.886 ( -1.327 -3.225 21.684) 21.962 17.443 ( 2.432 2.725 2.004) 4.166 18.325 ( 2.814 -16.359 10.964) 19.894 18.885 ( 10.609 -4.136 -13.648) 17.774 19.813 ( -0.381 -0.512 2.765) 2.838 20.078 ( -0.530 -5.233 -6.762) 8.567 20.897 ( -1.437 -0.816 7.561) 7.739 21.045 ( -1.340 -9.993 -3.349) 10.624 21.248 ( -2.131 -1.391 2.423) 3.514 21.372 ( -7.187 -4.263 -0.969) 8.412 21.865 ( -2.817 -8.671 4.331) 10.094 22.135 ( -5.804 -13.212 -2.618) 14.666 22.840 ( 22.755 22.240 2.537) 31.919 23.301 ( 20.454 19.754 -6.723) 29.220 23.682 ( -1.155 14.494 2.380) 14.734 24.491 ( -26.869 6.347 -3.825) 27.872 25.221 ( 2.268 -2.115 0.724) 3.185 25.300 ( -1.422 -4.526 -0.189) 4.748 25.499 ( -0.434 -1.985 5.249) 5.629 25.784 ( -3.740 -5.729 -1.900) 7.101 26.945 ( -0.060 0.050 0.990) 0.993 27.167 ( -0.427 -0.999 -4.047) 4.191 27.307 ( 4.550 2.264 2.889) 5.846 27.528 ( -2.240 3.480 -2.846) 5.022 ======================= Grid point 82 (36/78) ======================= q-point: (-0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -7.700 26.505 11.025) 29.721 1.179 ( 8.726 21.314 18.130) 29.311 1.644 ( -3.044 17.726 5.955) 18.945 1.847 ( 1.412 9.249 -10.211) 13.849 2.170 ( 0.848 11.746 16.184) 20.015 2.276 ( 14.244 1.081 6.572) 15.724 2.304 ( -10.460 2.039 0.102) 10.657 2.678 ( 2.281 8.583 -1.513) 9.009 2.955 ( 0.160 1.260 -3.686) 3.899 3.081 ( -4.006 4.832 -7.629) 9.879 3.263 ( -0.905 3.811 -2.873) 4.857 3.458 ( -1.680 -4.602 7.995) 9.377 3.689 ( -4.055 -5.649 -1.163) 7.051 3.911 ( -3.710 4.284 2.917) 6.374 4.135 ( -0.227 0.108 3.385) 3.395 4.177 ( 0.227 1.228 -3.852) 4.050 4.249 ( 6.000 1.407 -10.040) 11.780 4.458 ( 1.230 -3.390 -2.273) 4.263 4.542 ( -2.416 -2.656 -3.839) 5.257 4.755 ( 1.248 -1.059 -5.518) 5.755 4.848 ( 0.086 -5.321 5.365) 7.557 5.029 ( -1.628 -6.477 0.380) 6.690 5.041 ( -4.136 -3.015 0.187) 5.122 5.173 ( -3.179 3.163 -3.095) 5.448 5.394 ( 4.076 4.125 8.604) 10.376 5.658 ( -0.714 -3.551 3.648) 5.141 5.775 ( -0.923 5.192 -6.419) 8.307 5.924 ( 1.330 -1.529 -7.592) 7.858 6.190 ( -0.662 -0.387 1.951) 2.096 6.263 ( 3.596 9.725 1.274) 10.447 6.423 ( 0.584 -1.526 -1.072) 1.954 6.544 ( -0.171 1.607 -8.199) 8.357 6.638 ( 3.262 8.838 3.701) 10.122 6.817 ( -1.078 5.467 -0.490) 5.593 6.912 ( 1.704 3.846 1.103) 4.349 7.032 ( -3.422 7.143 -6.010) 9.943 7.284 ( -4.625 1.665 2.993) 5.755 7.412 ( 5.087 4.325 -3.003) 7.321 7.504 ( 6.863 -0.164 -0.348) 6.873 7.621 ( -6.691 -1.265 -1.915) 7.074 7.844 ( 1.126 -2.624 1.357) 3.161 8.035 ( -3.577 -2.909 -3.536) 5.811 8.552 ( 6.068 -4.843 14.080) 16.079 8.699 ( 3.730 -5.429 17.521) 18.718 8.894 ( 4.748 4.034 -3.720) 7.256 8.927 ( -1.541 -2.760 -1.535) 3.515 9.097 ( -2.989 -2.350 9.228) 9.981 9.260 ( 0.508 -0.723 6.965) 7.021 9.775 ( 1.827 -4.634 -7.629) 9.111 9.988 ( 0.630 1.209 1.078) 1.738 10.086 ( -4.774 1.568 -3.149) 5.931 10.236 ( 0.477 -5.414 3.425) 6.424 10.303 ( -3.015 -5.296 -12.428) 13.841 10.560 ( 0.198 -0.828 -5.190) 5.260 10.903 ( -4.508 -4.719 8.182) 10.466 11.150 ( 6.840 -1.727 0.725) 7.092 11.276 ( -1.170 -7.031 1.121) 7.215 11.418 ( 0.157 -5.856 -8.416) 10.254 12.303 ( 0.370 -4.039 0.775) 4.129 12.528 ( -6.276 -2.730 -5.704) 8.909 12.645 ( -0.595 -0.522 10.598) 10.628 12.780 ( 6.206 -3.332 3.652) 7.935 12.872 ( 0.120 -4.196 4.007) 5.803 13.006 ( 2.475 0.930 0.099) 2.646 13.189 ( -2.729 5.202 -11.549) 12.957 13.442 ( -2.184 6.782 -8.522) 11.108 13.971 ( 2.493 -0.544 -1.103) 2.779 14.183 ( 0.523 0.093 -8.684) 8.700 14.675 ( 1.720 -6.880 9.555) 11.900 15.000 ( -6.335 0.821 -1.629) 6.592 15.107 ( -1.459 -0.226 -2.992) 3.336 15.122 ( 2.279 3.301 -1.388) 4.244 15.185 ( 0.584 1.730 1.429) 2.319 15.308 ( 7.354 5.855 2.434) 9.710 15.321 ( -3.796 6.813 -2.961) 8.342 15.387 ( -2.823 6.715 -0.958) 7.347 15.585 ( 1.171 6.044 9.840) 11.607 16.400 ( -1.772 1.498 -19.095) 19.236 17.115 ( -1.450 -16.490 29.400) 33.740 17.437 ( 2.026 3.538 7.930) 8.916 18.598 ( -5.921 -18.368 8.679) 21.161 19.123 ( 7.563 -12.290 -9.219) 17.124 19.826 ( -0.507 -0.798 3.266) 3.400 20.122 ( 0.911 -3.162 -7.656) 8.333 20.902 ( -4.477 -2.319 6.537) 8.256 21.160 ( 1.722 -4.110 -2.650) 5.185 21.255 ( 0.252 -0.120 1.859) 1.880 21.356 ( -0.380 -2.768 -0.720) 2.885 22.032 ( 1.040 -13.419 6.464) 14.931 22.250 ( -0.694 -10.280 -2.656) 10.640 22.701 ( -1.544 22.918 3.794) 23.281 22.991 ( 6.248 21.739 -7.816) 23.931 23.886 ( 24.057 8.553 -3.394) 25.756 23.911 ( -24.325 6.935 -1.996) 25.373 25.265 ( 0.772 -0.564 1.060) 1.428 25.347 ( -1.718 -4.228 -0.770) 4.628 25.549 ( -2.899 -4.585 8.521) 10.101 25.829 ( -0.156 -5.363 -2.710) 6.011 26.964 ( 2.245 -0.156 2.719) 3.530 27.145 ( -2.224 -0.350 -4.770) 5.275 27.301 ( -1.721 4.013 2.264) 4.918 27.451 ( 5.540 5.889 -5.649) 9.863 ======================= Grid point 85 (37/78) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -2.385 0.000 3.141) 3.944 1.595 ( -1.504 0.000 -1.478) 2.109 1.871 ( -6.714 0.000 -9.977) 12.026 2.066 ( 14.374 -0.000 5.787) 15.495 2.350 ( 18.690 -0.000 -3.849) 19.082 2.573 ( 11.452 -0.000 5.424) 12.672 2.934 ( 4.968 -0.000 0.586) 5.003 2.996 ( 9.422 -0.000 2.477) 9.742 3.066 ( 4.373 -0.000 6.875) 8.148 3.142 ( -1.432 0.000 -7.437) 7.574 3.353 ( 3.999 -0.000 -0.375) 4.017 3.691 ( 2.405 -0.000 6.658) 7.079 3.712 ( -2.144 0.000 -0.034) 2.144 3.828 ( 9.847 -0.000 -0.838) 9.883 3.910 ( 7.127 -0.000 2.251) 7.474 4.141 ( 4.843 -0.000 3.604) 6.037 4.321 ( 9.787 -0.000 14.027) 17.104 4.353 ( -7.113 0.000 3.419) 7.891 4.430 ( -0.514 0.000 -10.262) 10.275 4.515 ( -3.062 0.000 -5.589) 6.373 4.849 ( 0.990 -0.000 -3.179) 3.330 4.931 ( -4.280 0.000 6.449) 7.740 5.141 ( -14.995 0.000 -5.971) 16.140 5.150 ( -4.746 0.000 5.251) 7.078 5.497 ( 0.242 -0.000 -8.280) 8.283 5.507 ( 5.611 -0.000 3.610) 6.672 5.679 ( 5.006 -0.000 8.846) 10.165 5.831 ( 0.951 -0.000 -1.826) 2.059 6.096 ( -1.706 0.000 -6.165) 6.397 6.177 ( 7.642 -0.000 -4.967) 9.114 6.299 ( -2.338 0.000 -0.293) 2.356 6.651 ( 9.280 -0.000 -4.251) 10.207 6.776 ( 9.601 -0.000 6.444) 11.563 6.861 ( 9.097 -0.000 -9.485) 13.142 7.077 ( -3.521 0.000 -4.573) 5.771 7.296 ( 2.284 -0.000 7.204) 7.558 7.411 ( 3.607 -0.000 -4.886) 6.073 7.635 ( 9.580 -0.000 0.807) 9.614 7.785 ( 5.303 -0.000 -2.387) 5.815 7.790 ( -1.743 0.000 -2.589) 3.121 7.932 ( -2.943 0.000 -4.823) 5.650 7.957 ( 4.823 -0.000 6.096) 7.773 8.547 ( -5.118 0.000 1.792) 5.422 8.549 ( -1.833 0.000 3.766) 4.188 8.879 ( -10.821 0.000 7.611) 13.229 9.120 ( 9.636 -0.000 -2.084) 9.859 9.191 ( 7.874 -0.000 1.817) 8.081 9.327 ( -3.737 0.000 -9.097) 9.834 9.420 ( 1.460 -0.000 -13.555) 13.633 9.918 ( -4.624 0.000 15.358) 16.039 9.964 ( -4.068 0.000 8.441) 9.370 10.333 ( -1.272 0.000 -0.670) 1.437 10.464 ( -2.243 0.000 0.476) 2.293 10.467 ( -4.399 0.000 -5.867) 7.333 10.794 ( -1.609 0.000 -1.481) 2.187 10.994 ( -10.986 0.000 -1.708) 11.118 11.081 ( -11.598 0.000 2.476) 11.859 11.258 ( -4.069 0.000 -6.833) 7.953 11.944 ( -11.174 0.000 0.097) 11.175 12.267 ( -5.429 0.000 2.278) 5.888 12.422 ( -5.067 0.000 6.984) 8.629 12.660 ( -5.515 0.000 -6.382) 8.434 12.784 ( -3.982 0.000 17.143) 17.600 13.300 ( -2.923 0.000 0.183) 2.929 13.318 ( 4.737 -0.000 -0.445) 4.758 13.564 ( 2.477 -0.000 -17.468) 17.642 13.911 ( 0.963 -0.000 2.920) 3.075 14.021 ( 0.155 -0.000 -4.757) 4.760 14.717 ( -7.961 0.000 3.997) 8.908 14.913 ( -6.079 0.000 -4.542) 7.588 15.006 ( 5.805 -0.000 -6.089) 8.412 15.179 ( -1.225 0.000 3.925) 4.112 15.287 ( 6.257 -0.000 3.831) 7.336 15.448 ( 5.180 -0.000 5.170) 7.319 15.524 ( 10.856 -0.000 -5.154) 12.017 15.662 ( 9.956 -0.000 -0.477) 9.968 16.009 ( 9.794 -0.000 11.870) 15.389 16.286 ( 4.005 -0.000 -16.547) 17.025 17.316 ( -7.285 0.000 -8.068) 10.870 17.396 ( -8.584 0.000 31.645) 32.789 18.038 ( -4.078 0.000 -3.694) 5.502 18.661 ( -5.304 0.000 -8.564) 10.074 19.818 ( -2.429 0.000 5.563) 6.071 19.878 ( -6.998 0.000 -6.651) 9.654 20.733 ( -13.066 0.000 -2.718) 13.345 20.963 ( -0.054 0.000 8.146) 8.146 21.374 ( -3.524 0.000 3.663) 5.083 21.456 ( -14.605 0.000 -9.074) 17.194 21.693 ( -0.276 0.000 -1.119) 1.152 21.712 ( -5.646 0.000 3.243) 6.511 23.393 ( 23.812 -0.000 6.157) 24.595 23.542 ( 21.825 -0.000 -5.572) 22.525 24.307 ( 12.866 -0.000 -3.093) 13.232 24.436 ( 11.297 -0.000 -1.276) 11.369 25.187 ( -4.163 0.000 -0.070) 4.164 25.210 ( -4.356 0.000 3.352) 5.496 25.483 ( -4.208 0.000 3.989) 5.798 25.719 ( -8.111 0.000 -2.818) 8.587 27.010 ( 2.765 -0.000 2.073) 3.456 27.031 ( -3.806 0.000 -2.270) 4.431 27.245 ( 0.366 -0.000 -1.387) 1.434 27.571 ( 1.508 -0.000 -2.275) 2.730 ======================= Grid point 86 (38/78) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 4.998 -2.423 2.663) 6.160 1.612 ( -0.345 -3.966 -3.800) 5.503 1.761 ( -8.645 -6.537 -0.946) 10.879 2.299 ( 14.668 0.622 9.716) 17.605 2.492 ( 1.860 -0.528 -8.173) 8.398 2.614 ( 4.049 4.790 -10.671) 12.378 2.936 ( -3.112 3.144 -9.577) 10.549 3.038 ( 1.330 1.838 8.040) 8.354 3.143 ( -3.487 0.454 4.037) 5.354 3.209 ( 3.693 -0.013 7.801) 8.631 3.358 ( 1.214 -3.406 11.323) 11.886 3.638 ( 1.355 3.403 -1.513) 3.963 3.713 ( 4.154 3.264 -0.554) 5.312 3.916 ( 9.402 6.536 -1.317) 11.526 3.980 ( 2.624 -1.123 -0.802) 2.964 4.128 ( -5.864 3.563 0.678) 6.895 4.368 ( 2.230 -3.915 2.050) 4.950 4.438 ( 3.504 -0.768 -1.465) 3.875 4.475 ( 3.554 0.782 -1.418) 3.906 4.622 ( 14.020 -0.279 5.988) 15.248 4.852 ( 2.621 2.625 -1.455) 3.985 4.899 ( -4.176 -0.339 2.361) 4.809 4.990 ( -6.892 -5.428 -0.130) 8.773 5.154 ( -1.170 -5.424 3.247) 6.429 5.461 ( 0.566 1.029 -5.157) 5.289 5.624 ( 3.166 -1.579 -2.225) 4.180 5.729 ( 1.528 2.646 6.021) 6.752 5.857 ( 1.372 -1.887 -2.077) 3.124 6.098 ( 2.344 -4.113 0.696) 4.785 6.271 ( -2.476 -0.871 0.326) 2.645 6.289 ( 10.670 0.355 -2.504) 10.965 6.674 ( 2.771 0.274 -10.101) 10.478 6.882 ( 7.057 5.873 -6.612) 11.315 7.019 ( 11.420 0.068 0.778) 11.446 7.108 ( 7.578 -3.288 2.360) 8.591 7.296 ( -3.832 -0.289 5.037) 6.336 7.427 ( 1.567 2.195 -3.845) 4.696 7.575 ( -6.338 3.235 -3.345) 7.863 7.775 ( 2.621 2.240 -3.281) 4.759 7.825 ( -0.379 0.138 -5.366) 5.381 8.010 ( 9.911 -2.660 2.525) 10.568 8.040 ( -0.370 -3.300 2.942) 4.436 8.442 ( -4.119 4.932 0.558) 6.450 8.570 ( -2.813 -2.824 3.286) 5.166 8.774 ( -7.399 -0.845 7.317) 10.440 9.144 ( 4.975 7.542 -0.042) 9.035 9.226 ( 2.176 2.349 -6.908) 7.614 9.394 ( 4.223 2.926 -8.461) 9.899 9.447 ( 9.876 -7.469 -1.902) 12.528 9.869 ( -3.912 2.655 9.527) 10.636 10.008 ( -0.785 -5.220 13.789) 14.765 10.269 ( -5.716 2.409 -1.641) 6.416 10.364 ( -3.786 1.507 -3.851) 5.607 10.436 ( -3.983 -1.125 0.001) 4.139 10.648 ( -7.751 11.193 -2.456) 13.835 10.800 ( -2.491 1.343 0.944) 2.983 11.046 ( -11.290 -7.557 -0.008) 13.585 11.144 ( -5.650 1.093 -7.162) 9.187 11.808 ( -10.194 -1.518 0.171) 10.308 12.240 ( -6.864 -6.568 1.780) 9.666 12.380 ( -5.355 -1.003 5.425) 7.688 12.584 ( -5.517 -2.928 -5.408) 8.262 12.780 ( -3.078 1.182 16.910) 17.228 13.238 ( -2.662 2.923 1.873) 4.375 13.344 ( 3.382 3.317 -1.850) 5.085 13.563 ( 3.769 -1.742 -13.249) 13.885 13.958 ( 1.302 -1.496 1.809) 2.684 14.055 ( 1.955 -4.016 -3.729) 5.819 14.609 ( -8.957 0.377 3.876) 9.767 14.832 ( -5.986 -3.081 -5.684) 8.811 15.057 ( 4.765 1.669 -3.452) 6.117 15.174 ( -1.020 -0.907 1.441) 1.985 15.368 ( 6.451 2.896 5.679) 9.070 15.507 ( 4.257 2.200 3.624) 6.008 15.608 ( 9.461 4.509 -5.754) 11.956 15.799 ( 8.991 0.599 1.295) 9.103 16.209 ( 6.007 -4.500 10.273) 12.722 16.261 ( 2.650 2.167 -14.179) 14.587 17.214 ( -6.836 -3.407 -8.563) 11.474 17.365 ( -8.946 0.539 23.581) 25.226 17.929 ( 1.828 8.308 -0.950) 8.559 18.669 ( 2.626 -4.885 -8.894) 10.481 19.767 ( -6.769 -1.963 -2.142) 7.366 19.815 ( -4.293 -2.576 1.958) 5.376 20.588 ( -12.669 -5.616 -1.637) 13.954 20.978 ( -0.648 0.819 6.997) 7.074 21.257 ( -11.796 -2.612 -9.164) 15.164 21.330 ( -5.614 -1.055 3.868) 6.899 21.703 ( 0.247 -0.700 0.371) 0.830 21.705 ( -0.658 -2.822 0.621) 2.964 23.474 ( 22.632 20.536 2.078) 30.631 23.901 ( 19.364 8.194 -2.264) 21.148 24.230 ( 14.846 6.696 -0.191) 16.288 24.822 ( 5.078 -13.381 -1.976) 14.448 25.069 ( -5.489 2.707 0.822) 6.175 25.206 ( -4.105 -3.701 1.200) 5.655 25.423 ( -5.129 0.095 3.242) 6.068 25.622 ( -9.116 -3.820 -2.229) 10.132 26.968 ( -2.923 0.619 -1.283) 3.252 27.063 ( 1.820 -1.219 1.209) 2.502 27.245 ( 0.791 0.144 -0.161) 0.820 27.592 ( 0.579 -1.258 -1.690) 2.185 ======================= Grid point 87 (39/78) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 14.957 -4.214 0.998) 15.571 1.673 ( 4.203 -3.219 -3.678) 6.447 1.832 ( -3.497 -7.475 11.982) 14.549 2.249 ( -14.534 4.407 -13.839) 20.547 2.464 ( 0.682 0.575 6.575) 6.635 2.629 ( 2.221 2.295 -9.242) 9.778 2.872 ( -12.597 0.864 2.440) 12.860 2.921 ( 6.536 0.896 -1.443) 6.753 3.121 ( 0.616 0.608 5.595) 5.662 3.244 ( -0.626 2.306 6.302) 6.740 3.416 ( -2.436 0.498 10.277) 10.573 3.637 ( 5.256 4.675 -5.163) 8.725 3.698 ( -0.384 6.372 -0.065) 6.384 3.910 ( 2.463 5.510 -1.277) 6.169 4.042 ( 12.108 -0.371 -3.899) 12.726 4.073 ( 2.320 -0.532 0.257) 2.394 4.394 ( 2.377 8.251 -5.296) 10.088 4.411 ( -2.994 -0.573 5.874) 6.618 4.576 ( 1.145 -6.105 -2.107) 6.559 4.691 ( 1.485 4.523 -0.052) 4.761 4.845 ( 2.172 2.044 3.278) 4.432 4.862 ( 0.234 -0.359 2.094) 2.137 5.048 ( -0.926 -2.294 5.661) 6.178 5.304 ( 4.487 -7.433 0.884) 8.727 5.452 ( -0.381 -1.329 -3.302) 3.579 5.601 ( -3.008 0.243 -10.013) 10.458 5.659 ( -1.755 6.496 5.315) 8.575 5.928 ( 3.634 -0.835 1.494) 4.017 6.231 ( -2.405 -5.340 0.386) 5.870 6.302 ( 8.331 -2.108 4.190) 9.561 6.406 ( 5.089 0.719 0.183) 5.143 6.694 ( 8.255 1.579 -14.629) 16.872 6.837 ( 3.160 5.712 -5.739) 8.691 7.085 ( 1.747 2.496 0.363) 3.068 7.218 ( -6.997 1.246 3.269) 7.822 7.327 ( 6.140 -5.472 3.689) 9.013 7.399 ( 9.931 5.295 1.300) 11.329 7.488 ( -1.054 1.882 -1.905) 2.878 7.748 ( 0.446 4.401 -1.896) 4.812 7.775 ( -1.217 1.525 -7.291) 7.547 8.039 ( -6.350 -2.440 -0.576) 6.827 8.134 ( 0.320 2.349 0.684) 2.468 8.298 ( -3.083 2.879 0.863) 4.305 8.579 ( -2.603 -1.912 5.856) 6.688 8.740 ( -4.099 -1.156 6.518) 7.786 9.093 ( 3.960 3.984 -2.513) 6.154 9.245 ( 8.653 4.209 -2.374) 9.910 9.387 ( 6.183 2.990 -9.374) 11.621 9.670 ( 5.239 -2.039 -0.529) 5.647 9.794 ( -3.725 0.894 8.515) 9.337 10.065 ( -6.631 -0.233 4.412) 7.968 10.215 ( 3.047 -4.175 4.540) 6.880 10.320 ( -0.107 -1.121 -0.725) 1.340 10.413 ( -1.517 -1.837 3.796) 4.482 10.446 ( -4.470 3.406 -3.273) 6.503 10.747 ( -3.208 2.531 -3.570) 5.425 10.975 ( -3.442 -1.670 -0.819) 3.913 11.096 ( -7.866 -7.823 -5.556) 12.407 11.741 ( -5.876 -5.525 -0.415) 8.077 12.256 ( -9.761 -9.423 -0.759) 13.588 12.354 ( -2.348 -1.411 5.110) 5.798 12.565 ( -4.422 -5.423 -3.314) 7.742 12.776 ( -2.755 0.900 16.586) 16.837 13.168 ( -1.373 3.557 3.122) 4.928 13.315 ( 1.571 3.875 -2.480) 4.862 13.608 ( 3.509 -1.860 -11.385) 12.058 13.990 ( 0.793 0.064 1.824) 1.989 14.150 ( 3.082 -4.942 -3.829) 6.970 14.494 ( -8.462 0.264 4.204) 9.453 14.811 ( -4.466 -6.135 -6.367) 9.905 15.071 ( 2.764 1.565 -1.730) 3.617 15.188 ( 0.001 -1.055 0.088) 1.058 15.415 ( 6.083 4.464 5.233) 9.182 15.514 ( 1.006 3.475 3.862) 5.292 15.637 ( 10.525 7.272 -4.405) 13.530 15.878 ( 5.761 3.721 2.944) 7.464 16.141 ( -1.582 5.693 -13.657) 14.880 16.390 ( 1.282 -4.460 11.007) 11.946 17.115 ( -9.762 0.815 -3.345) 10.351 17.338 ( -0.741 -2.792 2.279) 3.679 17.897 ( 4.327 3.757 11.499) 12.848 18.758 ( 5.346 -2.646 -10.890) 12.417 19.736 ( -5.428 -6.267 -1.485) 8.423 19.810 ( -4.254 -3.847 1.325) 5.887 20.554 ( -8.894 -10.274 -0.533) 13.600 20.950 ( -4.372 0.597 2.922) 5.292 21.164 ( -5.162 -3.640 -4.511) 7.761 21.289 ( -4.869 -1.622 3.160) 6.027 21.717 ( 0.035 -0.737 0.734) 1.041 21.762 ( -0.047 -4.829 -0.506) 4.856 23.481 ( 23.013 20.840 1.713) 31.095 23.881 ( 23.123 23.238 -2.414) 32.871 24.377 ( 1.198 2.289 0.528) 2.637 24.832 ( -3.975 1.701 0.189) 4.328 25.098 ( -0.951 -6.158 -1.116) 6.331 25.172 ( -5.676 0.137 -1.341) 5.834 25.393 ( -3.655 -3.302 4.431) 6.625 25.581 ( -7.246 -6.945 -1.628) 10.168 26.930 ( -1.881 -0.441 -0.378) 1.969 27.101 ( 0.591 -1.620 -1.459) 2.259 27.271 ( 2.272 -0.471 2.302) 3.268 27.604 ( -0.480 -0.718 -1.534) 1.761 ======================= Grid point 88 (40/78) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -1.187 7.409 4.030) 8.517 1.831 ( 13.433 -2.221 -0.473) 13.624 1.853 ( 5.110 2.127 4.471) 7.115 2.076 ( -5.213 -4.474 -0.364) 6.879 2.378 ( -8.366 3.516 4.766) 10.250 2.514 ( -3.672 1.654 -10.684) 11.418 2.726 ( -8.454 3.455 -1.476) 9.251 2.975 ( -2.393 2.230 2.891) 4.366 3.204 ( 3.891 -0.687 5.011) 6.382 3.222 ( 7.077 2.235 3.803) 8.340 3.378 ( -4.332 2.136 4.816) 6.821 3.547 ( -2.866 6.280 -2.744) 7.429 3.549 ( -2.738 6.433 -4.145) 8.127 3.926 ( 7.456 1.544 0.169) 7.616 4.102 ( 1.593 1.082 -0.531) 1.998 4.203 ( 8.123 1.277 -3.574) 8.966 4.280 ( 2.649 3.622 -4.087) 6.070 4.414 ( -0.153 1.087 8.137) 8.210 4.585 ( -1.666 -0.615 -7.559) 7.765 4.653 ( -1.889 1.264 0.631) 2.359 4.849 ( -1.237 4.053 1.750) 4.584 4.891 ( 1.079 -2.467 4.257) 5.037 5.038 ( -3.935 1.217 8.499) 9.444 5.401 ( -0.429 1.459 -0.091) 1.523 5.443 ( 0.300 1.138 1.733) 2.095 5.521 ( -2.493 -2.043 -9.716) 10.237 5.645 ( 4.652 -1.801 2.154) 5.433 5.953 ( -1.112 0.631 2.336) 2.663 6.254 ( -1.800 -3.401 -1.946) 4.312 6.346 ( -1.559 3.825 -3.561) 5.454 6.497 ( 6.608 -1.733 0.925) 6.894 6.731 ( 6.478 4.659 -10.944) 13.544 6.794 ( 5.745 3.062 -4.488) 7.907 7.011 ( -1.518 5.383 5.283) 7.694 7.145 ( -0.512 4.029 2.009) 4.531 7.391 ( -2.275 1.003 0.535) 2.543 7.475 ( 6.986 3.658 -2.045) 8.146 7.534 ( 5.467 -2.007 2.884) 6.499 7.638 ( -0.665 7.910 -4.024) 8.899 7.697 ( -3.404 3.523 -3.681) 6.128 7.877 ( -11.709 3.814 -1.662) 12.426 8.021 ( -4.619 0.839 -6.789) 8.254 8.341 ( 3.291 -1.969 8.193) 9.046 8.618 ( -1.137 -4.610 7.550) 8.918 8.725 ( -2.991 -0.553 6.521) 7.195 9.116 ( 7.687 4.431 -1.930) 9.080 9.267 ( 4.154 7.127 2.232) 8.546 9.427 ( 3.376 -1.466 -10.532) 11.157 9.504 ( -3.142 8.746 0.833) 9.331 9.917 ( 2.248 -4.859 7.773) 9.438 10.068 ( -3.412 -6.066 -3.672) 7.869 10.228 ( -1.940 2.612 0.875) 3.369 10.345 ( -3.563 2.135 -1.456) 4.401 10.416 ( 5.377 -5.140 2.943) 8.000 10.544 ( 0.573 -5.580 2.428) 6.112 10.702 ( 6.477 -4.616 -2.160) 8.241 11.006 ( -4.848 -6.669 1.544) 8.388 11.112 ( -3.251 -8.390 -8.060) 12.080 11.824 ( -0.197 -10.905 0.183) 10.908 12.247 ( -9.035 -8.598 -3.764) 13.027 12.402 ( -0.226 -4.664 5.308) 7.069 12.600 ( -1.962 -6.006 -1.763) 6.560 12.783 ( -3.085 -0.160 16.813) 17.094 13.113 ( -0.851 3.241 3.337) 4.729 13.263 ( 0.121 3.325 -2.404) 4.105 13.632 ( 2.644 -0.219 -10.996) 11.311 13.989 ( 0.339 1.475 1.626) 2.221 14.229 ( 1.222 -1.965 -5.688) 6.141 14.425 ( -4.537 -2.625 5.910) 7.900 14.845 ( -2.365 -7.186 -7.382) 10.570 15.087 ( 2.261 0.437 -0.866) 2.460 15.194 ( -0.905 -0.544 -1.297) 1.673 15.431 ( 5.674 6.287 2.740) 8.901 15.463 ( -1.615 4.064 6.597) 7.914 15.654 ( 10.035 8.107 -2.763) 13.193 15.853 ( 2.602 8.690 2.512) 9.412 15.959 ( -5.298 7.430 -7.613) 11.884 16.452 ( -3.317 -2.632 5.782) 7.166 16.947 ( -5.971 4.321 1.917) 7.616 17.421 ( 3.509 -5.419 -8.803) 10.917 17.985 ( 0.980 -3.291 19.379) 19.681 18.820 ( 5.802 -1.140 -12.673) 13.984 19.772 ( -1.677 -3.062 1.146) 3.674 19.844 ( -3.392 -9.459 -2.369) 10.324 20.651 ( -3.003 -13.362 0.476) 13.704 20.877 ( -6.605 -1.191 0.163) 6.714 21.180 ( 0.447 -2.866 0.269) 2.913 21.265 ( -3.784 -1.940 1.831) 4.630 21.734 ( -0.286 -1.551 1.493) 2.172 21.839 ( -0.534 -6.424 -1.537) 6.627 23.493 ( 22.844 20.608 1.815) 30.819 23.875 ( 17.537 18.591 -2.271) 25.659 24.146 ( -4.326 15.381 0.277) 15.980 24.686 ( -16.284 6.504 -1.349) 17.587 25.120 ( -0.651 -4.310 0.290) 4.368 25.165 ( -1.309 -4.559 -1.226) 4.899 25.427 ( -1.717 -3.519 4.240) 5.771 25.611 ( -3.118 -6.539 -1.827) 7.471 26.926 ( -0.412 -0.996 0.761) 1.320 27.117 ( -0.885 -2.012 -3.993) 4.558 27.330 ( 3.312 -0.481 4.126) 5.313 27.586 ( -1.282 0.672 -1.914) 2.399 ======================= Grid point 89 (41/78) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.481 10.366 10.485) 14.752 1.784 ( 0.916 13.084 0.983) 13.153 1.979 ( 0.356 4.095 1.585) 4.405 2.059 ( -3.331 2.947 0.599) 4.488 2.295 ( -1.031 -0.915 3.518) 3.779 2.454 ( -7.511 10.889 -2.774) 13.516 2.508 ( 8.123 3.343 -0.075) 8.784 2.853 ( -5.433 0.794 -10.273) 11.648 3.170 ( 3.822 13.875 2.512) 14.610 3.249 ( -4.402 5.731 4.716) 8.629 3.377 ( 9.294 -0.012 3.013) 9.770 3.388 ( -4.442 3.383 1.584) 5.804 3.508 ( -3.935 -4.967 -0.436) 6.352 4.048 ( 8.053 -0.255 0.904) 8.108 4.081 ( -1.444 1.044 3.477) 3.907 4.241 ( -1.908 1.030 -6.834) 7.170 4.273 ( 7.441 1.972 -1.534) 7.850 4.429 ( -0.078 0.931 6.300) 6.368 4.491 ( -8.038 1.737 -5.947) 10.148 4.645 ( 0.751 -3.029 -1.916) 3.663 4.764 ( -0.345 1.992 0.178) 2.030 4.932 ( -2.205 -3.282 -1.639) 4.280 4.982 ( -3.641 1.587 6.679) 7.771 5.322 ( -1.025 5.357 -2.317) 5.927 5.475 ( 4.921 0.659 7.748) 9.203 5.543 ( 0.541 -3.169 -1.869) 3.719 5.782 ( 5.132 -5.371 -0.891) 7.482 5.902 ( -3.021 2.329 -0.444) 3.840 6.237 ( -2.121 1.935 -4.934) 5.709 6.296 ( -1.174 -2.749 -1.478) 3.335 6.536 ( 1.436 2.804 -3.974) 5.072 6.661 ( 0.744 5.670 -8.127) 9.937 6.867 ( 6.683 4.548 2.026) 8.334 6.942 ( 1.774 3.725 1.284) 4.321 7.062 ( -1.270 6.123 3.946) 7.394 7.283 ( -1.263 8.482 -3.583) 9.294 7.443 ( -9.682 8.111 0.335) 12.635 7.492 ( 1.544 0.180 -0.224) 1.570 7.579 ( 3.666 5.930 -3.390) 7.753 7.596 ( 2.421 0.354 -3.884) 4.591 7.767 ( -3.921 -1.964 -0.900) 4.476 7.965 ( -0.011 -0.628 -5.491) 5.527 8.443 ( 2.119 -2.022 14.120) 14.421 8.708 ( -3.767 -0.314 6.897) 7.865 8.726 ( -0.533 -7.110 4.448) 8.404 9.080 ( -0.939 7.752 -4.143) 8.839 9.165 ( -0.443 4.957 2.950) 5.786 9.370 ( 4.567 7.534 9.939) 13.281 9.576 ( 5.400 -6.853 -11.093) 14.113 9.999 ( -2.443 -4.447 -6.690) 8.396 10.047 ( -2.699 0.235 1.357) 3.031 10.194 ( 1.784 0.870 1.614) 2.558 10.252 ( -3.367 2.298 -1.234) 4.259 10.510 ( -0.277 -2.546 -5.207) 5.802 10.680 ( 2.144 -8.954 8.487) 12.522 10.975 ( 8.876 -8.714 2.188) 12.630 11.018 ( -8.228 -9.314 -0.482) 12.437 11.202 ( 0.568 -8.085 -8.515) 11.755 12.030 ( 1.654 -12.508 1.218) 12.675 12.280 ( -2.452 -9.721 -5.504) 11.437 12.512 ( 1.167 -6.686 5.626) 8.816 12.675 ( 0.899 -5.174 -0.410) 5.267 12.800 ( -3.692 -1.340 16.547) 17.006 13.064 ( -1.387 2.812 2.553) 4.043 13.212 ( -0.286 1.918 -3.140) 3.690 13.607 ( 0.915 2.722 -10.959) 11.329 13.983 ( 1.753 1.013 1.405) 2.464 14.208 ( -0.096 1.048 -7.395) 7.470 14.491 ( 0.535 -5.466 7.185) 9.044 14.902 ( -0.653 -6.034 -8.896) 10.770 15.101 ( 0.178 0.646 -0.020) 0.670 15.166 ( -2.751 -0.027 -2.420) 3.664 15.385 ( 3.453 7.535 3.293) 8.919 15.415 ( -1.856 3.826 5.214) 6.728 15.618 ( 2.058 9.667 -0.653) 9.905 15.661 ( -4.844 10.223 -6.427) 13.011 15.822 ( 5.051 9.139 7.839) 13.057 16.427 ( -2.601 -0.340 -8.166) 8.577 16.888 ( -1.453 -0.717 13.729) 13.824 17.504 ( 3.960 -1.326 -5.840) 7.180 18.115 ( -6.728 -10.949 15.804) 20.370 18.897 ( 6.253 -3.718 -12.332) 14.318 19.784 ( -2.037 -2.047 1.693) 3.348 19.966 ( 1.974 -8.008 -4.371) 9.334 20.820 ( -6.328 -3.609 1.452) 7.428 20.867 ( 4.073 -13.104 0.922) 13.753 21.246 ( 1.042 -0.718 0.808) 1.502 21.257 ( 0.018 -3.113 1.308) 3.377 21.776 ( 0.026 -3.923 2.998) 4.938 21.938 ( 0.216 -8.576 -2.631) 8.973 23.413 ( -5.595 22.496 3.366) 23.425 23.585 ( 7.672 18.278 -2.226) 19.947 24.177 ( 20.095 11.460 -1.445) 23.179 24.200 ( -21.211 11.928 -2.863) 24.503 25.193 ( -0.900 -4.692 0.408) 4.795 25.224 ( 1.362 -3.674 -0.295) 3.930 25.465 ( -1.873 -2.639 4.770) 5.764 25.673 ( 0.491 -5.196 -2.414) 5.751 26.950 ( 0.937 -0.942 1.929) 2.343 27.113 ( -1.782 -1.753 -4.921) 5.520 27.379 ( 0.628 0.832 4.263) 4.389 27.549 ( 0.701 1.716 -2.836) 3.388 ======================= Grid point 90 (42/78) ======================= q-point: (-0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -3.878 24.651 7.697) 26.115 1.544 ( 1.586 11.747 14.728) 18.905 1.788 ( -2.941 7.399 -4.076) 8.945 1.939 ( -3.254 6.268 -5.682) 9.064 2.191 ( -4.367 1.382 5.441) 7.112 2.490 ( 14.596 5.787 7.348) 17.336 2.548 ( 8.669 5.769 2.615) 10.737 2.842 ( 6.996 -0.238 -9.158) 11.528 2.992 ( 0.867 10.317 -1.033) 10.404 3.087 ( -3.435 9.114 2.386) 10.028 3.311 ( -4.026 1.045 0.772) 4.230 3.460 ( 1.135 -0.159 1.724) 2.070 3.587 ( 3.426 -4.009 3.922) 6.572 3.952 ( -2.810 7.037 -0.476) 7.592 4.056 ( -11.371 3.541 0.175) 11.910 4.188 ( 0.203 0.058 -1.016) 1.038 4.301 ( -3.376 0.387 -1.103) 3.573 4.415 ( -0.672 -4.107 -6.566) 7.773 4.485 ( 7.746 -1.451 -4.321) 8.987 4.743 ( 2.725 -4.787 0.659) 5.548 4.802 ( 2.341 -3.899 1.416) 4.763 4.925 ( -4.016 -2.511 -3.043) 5.630 4.978 ( 2.700 -1.030 5.649) 6.345 5.232 ( 1.575 5.229 -1.307) 5.615 5.530 ( 3.027 2.992 6.480) 7.753 5.624 ( 2.415 -3.763 2.610) 5.177 5.809 ( -1.902 3.892 -4.537) 6.272 5.902 ( 3.124 -1.865 -4.253) 5.597 6.133 ( -7.164 1.469 1.025) 7.384 6.341 ( 0.929 -1.984 -0.261) 2.206 6.442 ( -5.615 3.779 -5.828) 8.931 6.543 ( -1.478 5.632 -6.161) 8.478 6.722 ( -6.660 7.264 -2.222) 10.102 6.972 ( 2.922 7.487 4.783) 9.352 7.019 ( 8.731 2.980 -2.468) 9.550 7.158 ( 4.399 8.483 0.355) 9.562 7.261 ( -3.414 1.998 2.233) 4.543 7.467 ( -7.107 -1.846 -4.001) 8.362 7.555 ( 6.665 5.538 -3.113) 9.207 7.674 ( 11.288 0.805 0.820) 11.346 7.763 ( -3.522 -4.353 -0.593) 5.631 7.998 ( 3.777 -1.197 -2.541) 4.707 8.567 ( -0.415 -5.163 13.276) 14.250 8.682 ( -2.781 -1.653 10.354) 10.847 8.797 ( -2.632 -5.012 -2.701) 6.272 8.952 ( -7.012 1.069 4.894) 8.618 9.108 ( 1.632 3.976 -1.721) 4.630 9.376 ( 5.627 5.697 8.475) 11.659 9.698 ( 1.982 -4.520 -3.979) 6.340 9.948 ( -5.413 -3.639 -17.809) 18.966 10.048 ( 1.715 0.968 4.604) 5.007 10.208 ( 0.735 0.178 -3.590) 3.668 10.236 ( 1.959 -0.563 3.506) 4.056 10.524 ( -0.785 -2.657 -4.756) 5.504 10.784 ( -6.246 -5.207 5.718) 9.941 10.999 ( -11.279 -9.379 1.862) 14.787 11.240 ( 7.949 -6.260 2.402) 10.399 11.288 ( -1.280 -7.248 -8.992) 11.620 12.176 ( -3.632 -8.953 0.204) 9.664 12.427 ( 4.110 -5.427 -5.013) 8.454 12.656 ( 1.426 -5.454 9.691) 11.212 12.771 ( 2.245 -5.565 1.566) 6.202 12.835 ( -2.963 -4.191 9.940) 11.187 12.989 ( -4.766 3.558 1.948) 6.258 13.178 ( 0.948 1.221 -4.751) 4.996 13.512 ( 1.349 6.032 -10.568) 12.243 14.027 ( 4.587 -0.119 0.538) 4.620 14.180 ( 1.912 1.143 -9.034) 9.305 14.634 ( 3.208 -6.833 9.613) 12.223 14.921 ( -2.106 -0.823 -7.123) 7.473 15.055 ( -4.284 -0.711 -1.739) 4.678 15.112 ( -2.656 2.178 -0.928) 3.558 15.295 ( -3.760 4.736 -0.010) 6.047 15.342 ( 0.108 4.931 2.633) 5.591 15.424 ( -2.809 6.790 0.886) 7.402 15.553 ( 4.857 8.289 2.498) 9.926 15.820 ( 10.195 9.398 6.023) 15.117 16.358 ( 0.182 1.309 -16.824) 16.876 17.003 ( -0.183 -7.687 21.059) 22.419 17.532 ( 2.127 2.298 3.754) 4.888 18.204 ( -14.822 -15.264 5.574) 21.994 19.001 ( 1.216 -6.302 -10.065) 11.937 19.796 ( -1.732 -2.020 2.959) 3.979 20.078 ( 3.250 -3.450 -6.744) 8.243 20.813 ( -3.618 -3.663 4.889) 7.100 21.131 ( 6.937 -7.305 -0.170) 10.075 21.239 ( -1.458 -2.150 1.623) 3.063 21.364 ( 6.935 -2.575 -0.701) 7.431 21.901 ( 2.775 -9.923 4.842) 11.385 22.120 ( 6.107 -12.597 -3.166) 14.353 22.828 ( -21.527 20.806 2.132) 30.014 23.402 ( -22.146 20.999 -8.722) 31.741 23.637 ( 3.754 13.172 4.743) 14.494 24.466 ( 28.558 6.421 -3.688) 29.502 25.235 ( -1.702 -3.149 -0.253) 3.588 25.288 ( 0.930 -2.277 0.772) 2.578 25.485 ( -2.722 -2.288 5.374) 6.444 25.771 ( 3.675 -5.018 -2.070) 6.556 26.985 ( 0.714 -0.740 2.235) 2.460 27.094 ( -1.194 -0.831 -4.137) 4.385 27.322 ( -4.039 3.696 1.635) 5.714 27.561 ( 4.641 1.282 -2.668) 5.504 ======================= Grid point 94 (43/78) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 14.384 -0.000 7.683) 16.307 1.584 ( 0.271 -0.000 1.241) 1.270 1.649 ( 3.666 -0.000 -1.913) 4.135 2.294 ( -16.991 0.000 -14.592) 22.397 2.541 ( 10.044 -0.000 8.895) 13.416 2.597 ( -1.287 0.000 -13.719) 13.779 2.878 ( -23.994 0.000 0.420) 23.998 2.938 ( 0.896 -0.000 -3.266) 3.387 3.111 ( 2.031 -0.000 -1.657) 2.621 3.316 ( -0.904 0.000 7.267) 7.323 3.428 ( -0.060 0.000 27.365) 27.365 3.713 ( 8.694 -0.000 -4.604) 9.838 3.815 ( 6.295 -0.000 -0.480) 6.313 3.984 ( -7.438 0.000 -1.258) 7.544 4.068 ( -2.355 0.000 -2.951) 3.775 4.083 ( 13.187 -0.000 -0.679) 13.205 4.361 ( 0.987 -0.000 1.058) 1.447 4.489 ( 0.135 -0.000 -4.991) 4.993 4.530 ( 8.964 -0.000 -6.038) 10.808 4.841 ( -4.782 0.000 1.100) 4.907 4.885 ( 0.635 -0.000 7.517) 7.544 4.909 ( 13.673 -0.000 11.591) 17.925 4.968 ( 9.362 -0.000 -6.236) 11.249 5.092 ( -1.873 0.000 4.827) 5.178 5.465 ( 1.084 -0.000 -7.025) 7.109 5.611 ( -1.390 0.000 -7.730) 7.854 5.836 ( 5.185 -0.000 7.711) 9.293 5.852 ( 1.267 -0.000 0.194) 1.282 6.099 ( -0.376 0.000 4.203) 4.220 6.253 ( 4.093 -0.000 1.918) 4.520 6.416 ( 7.605 -0.000 -0.783) 7.645 6.704 ( 7.613 -0.000 -13.605) 15.590 6.956 ( 2.829 -0.000 -11.128) 11.482 7.164 ( 6.964 -0.000 3.414) 7.756 7.169 ( -0.779 0.000 4.557) 4.623 7.228 ( -5.176 0.000 2.059) 5.570 7.497 ( 5.603 -0.000 -2.530) 6.148 7.541 ( 2.503 -0.000 0.702) 2.599 7.779 ( 1.525 -0.000 -9.551) 9.672 7.819 ( -1.506 0.000 -1.594) 2.193 7.998 ( -2.728 0.000 1.375) 3.055 8.136 ( 7.867 -0.000 4.138) 8.889 8.467 ( -6.340 0.000 0.488) 6.359 8.493 ( 0.058 -0.000 -0.010) 0.058 8.667 ( -8.152 0.000 7.580) 11.132 9.149 ( -1.463 0.000 -10.505) 10.606 9.424 ( 6.099 -0.000 -2.216) 6.489 9.448 ( 12.961 -0.000 -0.092) 12.961 9.504 ( 6.338 -0.000 -2.338) 6.756 9.905 ( -2.216 0.000 12.503) 12.698 9.994 ( 1.858 -0.000 12.312) 12.452 10.166 ( -9.961 0.000 -2.289) 10.221 10.310 ( -3.701 0.000 -3.789) 5.297 10.356 ( -4.740 0.000 -1.130) 4.872 10.664 ( -6.794 0.000 -1.122) 6.886 10.742 ( -11.724 0.000 1.083) 11.774 10.802 ( -1.782 0.000 -0.133) 1.787 11.056 ( -6.868 0.000 -6.471) 9.436 11.677 ( -8.327 0.000 3.363) 8.980 12.089 ( -6.474 0.000 -2.472) 6.930 12.332 ( -3.814 0.000 6.408) 7.457 12.474 ( -4.152 0.000 -5.142) 6.609 12.796 ( -3.377 0.000 15.926) 16.280 13.231 ( -2.075 0.000 1.944) 2.843 13.406 ( 2.071 -0.000 -2.065) 2.924 13.554 ( 4.078 -0.000 -12.978) 13.603 13.999 ( 3.449 -0.000 2.442) 4.226 14.050 ( 3.974 -0.000 -4.041) 5.668 14.502 ( -8.847 0.000 4.445) 9.901 14.705 ( -5.694 0.000 -5.403) 7.849 15.123 ( 3.428 -0.000 -2.745) 4.391 15.143 ( -1.927 0.000 0.631) 2.028 15.477 ( 3.049 -0.000 8.445) 8.979 15.575 ( 2.869 -0.000 2.677) 3.924 15.749 ( 9.270 -0.000 -10.755) 14.199 15.957 ( 9.629 -0.000 4.388) 10.582 16.256 ( 0.699 -0.000 -15.166) 15.182 16.285 ( 4.087 -0.000 11.049) 11.781 17.075 ( -4.922 0.000 -7.500) 8.971 17.315 ( -8.410 0.000 16.530) 18.546 18.019 ( 2.063 -0.000 2.489) 3.233 18.685 ( 8.471 -0.000 -7.802) 11.516 19.598 ( -10.412 0.000 -2.483) 10.704 19.767 ( -3.561 0.000 1.756) 3.971 20.389 ( -9.317 0.000 1.494) 9.436 20.955 ( -5.791 0.000 -2.542) 6.325 21.113 ( -2.039 0.000 -2.493) 3.221 21.267 ( -4.649 0.000 3.721) 5.955 21.692 ( 1.048 -0.000 0.605) 1.209 21.709 ( 0.414 -0.000 0.292) 0.507 23.994 ( 17.041 -0.000 4.223) 17.556 24.063 ( 17.427 -0.000 -2.936) 17.673 24.645 ( 13.038 -0.000 -2.935) 13.364 24.697 ( 6.936 -0.000 0.227) 6.940 25.051 ( -8.427 0.000 1.965) 8.653 25.074 ( -2.893 0.000 0.080) 2.894 25.336 ( -7.925 0.000 1.660) 8.097 25.459 ( -9.321 0.000 -1.801) 9.493 26.927 ( -2.507 0.000 -0.767) 2.622 27.074 ( 0.497 -0.000 -1.030) 1.144 27.261 ( 1.333 -0.000 2.718) 3.027 27.586 ( 0.535 -0.000 -1.980) 2.051 ======================= Grid point 95 (44/78) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 3.847 -6.235 5.196) 8.982 1.776 ( 13.610 -4.484 5.964) 15.522 1.799 ( 13.993 -0.277 2.658) 14.246 1.982 ( -15.583 -0.507 -13.115) 20.374 2.510 ( -19.077 3.943 4.040) 19.895 2.529 ( -0.657 0.821 -9.689) 9.746 2.707 ( -2.066 -4.338 3.280) 5.818 2.941 ( -0.222 -1.717 -5.954) 6.201 3.148 ( 2.990 -1.573 0.253) 3.388 3.248 ( -7.249 1.370 1.733) 7.579 3.445 ( -4.758 2.505 21.711) 22.367 3.762 ( -4.262 6.576 -2.909) 8.358 3.791 ( 6.096 4.846 -3.674) 8.610 3.937 ( 1.626 -2.734 -2.027) 3.772 4.059 ( 1.907 -0.415 -1.757) 2.626 4.285 ( 14.847 2.435 -0.192) 15.047 4.400 ( -5.033 0.976 -7.788) 9.324 4.417 ( 0.576 -1.336 5.698) 5.880 4.596 ( 5.327 2.290 -4.534) 7.360 4.772 ( -1.719 2.200 -0.003) 2.792 4.929 ( 0.945 7.678 4.133) 8.771 4.944 ( 4.775 1.658 7.929) 9.403 5.072 ( 2.107 0.345 4.675) 5.139 5.222 ( 3.076 -9.895 0.145) 10.363 5.457 ( 1.550 0.641 -5.558) 5.806 5.551 ( -0.520 2.095 -9.424) 9.668 5.776 ( 1.043 7.217 4.723) 8.688 5.981 ( 2.003 0.809 3.478) 4.094 6.071 ( -4.990 -7.445 -0.356) 8.969 6.413 ( 8.832 -1.743 6.504) 11.106 6.451 ( -0.312 1.469 -1.949) 2.460 6.797 ( 10.616 0.209 -14.178) 17.714 6.912 ( 0.432 4.060 -6.613) 7.772 7.101 ( -4.656 0.717 2.347) 5.263 7.195 ( -1.968 -2.253 -1.165) 3.211 7.280 ( 3.875 -1.737 7.495) 8.614 7.546 ( 4.845 1.198 -4.775) 6.907 7.616 ( 6.826 2.970 5.596) 9.313 7.759 ( -0.818 1.439 -5.995) 6.219 7.779 ( -0.199 1.093 -4.341) 4.481 7.966 ( -1.334 1.896 0.552) 2.383 8.179 ( -3.929 5.364 0.861) 6.704 8.310 ( -1.804 2.589 0.711) 3.235 8.538 ( -1.340 -2.604 2.601) 3.917 8.625 ( -6.473 -4.753 5.608) 9.795 9.125 ( 3.098 -1.452 -11.147) 11.661 9.443 ( 4.368 4.315 -1.658) 6.360 9.506 ( 6.925 5.386 -1.988) 8.995 9.701 ( 6.158 -5.523 2.261) 8.575 9.869 ( 0.415 7.170 10.717) 12.901 9.951 ( -10.038 1.258 1.552) 10.235 10.172 ( 1.078 -6.221 4.488) 7.746 10.298 ( 3.184 -4.252 0.900) 5.388 10.314 ( -4.836 -3.870 -1.203) 6.310 10.499 ( -1.728 6.750 0.726) 7.005 10.689 ( -6.398 -2.778 -0.793) 7.020 10.802 ( -3.915 -3.980 -1.527) 5.788 10.957 ( -4.215 -1.643 -6.038) 7.545 11.616 ( -4.098 -2.953 3.803) 6.323 12.035 ( -5.453 -4.289 -4.281) 8.153 12.319 ( -1.974 -1.214 5.353) 5.833 12.446 ( -1.217 -3.097 -3.696) 4.973 12.791 ( -3.887 0.431 15.655) 16.136 13.200 ( -1.263 1.997 2.534) 3.465 13.386 ( 1.052 3.661 -3.002) 4.850 13.595 ( 4.297 -1.849 -11.333) 12.260 14.032 ( 1.919 1.369 1.439) 2.762 14.130 ( 4.710 -3.143 -3.813) 6.826 14.400 ( -7.584 0.112 5.131) 9.157 14.660 ( -2.613 -4.127 -5.254) 7.174 15.108 ( -0.107 0.955 -0.429) 1.052 15.162 ( 0.074 -1.291 -1.811) 2.225 15.509 ( -1.254 0.802 8.814) 8.939 15.602 ( 3.392 2.994 2.053) 4.969 15.812 ( 7.141 2.251 -8.533) 11.352 16.058 ( 7.251 3.985 5.320) 9.837 16.160 ( -1.568 5.566 -12.711) 13.964 16.372 ( -0.636 -2.789 7.024) 7.584 17.019 ( -2.273 -0.034 -3.822) 4.447 17.262 ( -5.230 -2.611 4.967) 7.671 18.038 ( 2.490 3.380 10.045) 10.887 18.791 ( 7.521 -0.885 -10.082) 12.609 19.520 ( -6.605 -7.169 0.273) 9.751 19.725 ( -4.197 -1.748 -1.281) 4.723 20.351 ( -3.523 -5.403 4.160) 7.675 20.849 ( -6.163 -0.523 -8.229) 10.295 21.132 ( 2.364 -0.496 2.887) 3.765 21.227 ( -3.386 -0.715 2.533) 4.288 21.714 ( 0.026 -0.252 0.622) 0.671 21.722 ( 0.779 -1.713 0.047) 1.882 24.042 ( 16.916 15.097 1.314) 22.711 24.283 ( 4.497 3.787 -0.452) 5.896 24.600 ( 12.553 14.736 -0.627) 19.368 24.805 ( -3.172 1.666 0.102) 3.584 24.987 ( -2.262 -5.326 -0.397) 5.800 25.090 ( -5.131 0.264 -1.131) 5.261 25.261 ( -4.676 -6.356 2.598) 8.308 25.390 ( -5.671 -6.570 -1.137) 8.753 26.905 ( -0.727 -0.298 0.334) 0.853 27.068 ( -1.130 -0.974 -3.491) 3.797 27.304 ( 2.219 -0.754 4.895) 5.427 27.585 ( -0.232 -0.342 -2.388) 2.423 ======================= Grid point 97 (45/78) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -13.075 -1.721 -2.027) 13.343 1.839 ( 2.711 -9.661 1.955) 10.223 1.988 ( 12.426 0.741 1.026) 12.490 2.138 ( 5.571 3.293 7.957) 10.256 2.218 ( -6.180 -1.128 0.725) 6.324 2.547 ( 8.535 1.592 -4.091) 9.598 2.668 ( -6.161 0.943 -1.171) 6.342 2.906 ( -5.494 -0.456 -11.992) 13.198 3.166 ( -6.266 -4.074 2.954) 8.037 3.248 ( 3.476 -4.612 0.819) 5.833 3.388 ( -5.011 4.187 18.276) 19.408 3.620 ( -0.838 6.953 -1.229) 7.111 3.702 ( 1.265 9.762 -4.854) 10.975 4.014 ( 4.570 -1.369 0.857) 4.847 4.074 ( -2.804 -0.388 -2.893) 4.047 4.255 ( -5.296 -1.242 -6.684) 8.618 4.397 ( 10.113 3.760 1.672) 10.918 4.462 ( -0.026 3.941 0.705) 4.004 4.611 ( 2.009 1.241 -2.613) 3.522 4.702 ( 0.438 7.011 -0.358) 7.034 4.847 ( -3.373 0.256 5.590) 6.534 4.947 ( -0.414 6.485 2.449) 6.944 5.054 ( -3.434 1.979 9.469) 10.265 5.389 ( 2.045 -7.752 -1.202) 8.107 5.445 ( 0.725 1.752 -2.195) 2.900 5.488 ( 0.666 1.793 -8.420) 8.635 5.739 ( 3.967 2.986 5.564) 7.457 5.930 ( -3.317 0.841 1.301) 3.661 6.177 ( 1.962 -5.205 -0.679) 5.604 6.331 ( -5.256 3.630 -6.592) 9.179 6.538 ( 0.418 -1.386 3.683) 3.957 6.808 ( 1.035 4.427 -8.607) 9.734 6.900 ( 5.962 -0.113 -2.118) 6.328 7.059 ( -1.605 1.211 -2.132) 2.931 7.197 ( 0.180 1.240 2.715) 2.990 7.358 ( 2.563 -0.255 3.241) 4.140 7.579 ( 0.589 1.632 -2.363) 2.931 7.617 ( -0.555 3.831 -0.893) 3.972 7.692 ( -2.810 0.915 1.744) 3.431 7.733 ( 0.649 6.775 -7.574) 10.183 7.843 ( -1.545 8.282 0.829) 8.465 8.019 ( 0.644 4.306 -5.171) 6.760 8.356 ( 1.357 -3.470 7.011) 7.940 8.556 ( -2.518 -2.694 4.220) 5.604 8.649 ( -3.667 -5.012 5.110) 8.042 9.194 ( 4.323 -2.862 -11.607) 12.713 9.357 ( -6.356 7.172 1.803) 9.752 9.492 ( 3.923 4.526 -2.386) 6.447 9.675 ( 4.215 9.563 3.429) 10.998 9.885 ( -5.604 -3.966 -3.955) 7.923 9.928 ( 2.835 -4.284 12.216) 13.252 10.236 ( 0.121 0.102 -1.484) 1.492 10.373 ( -1.322 -5.085 0.731) 5.305 10.393 ( 1.958 -0.867 5.443) 5.849 10.461 ( -0.083 -0.809 -1.078) 1.350 10.716 ( 8.131 -6.373 -0.120) 10.332 10.794 ( -5.755 -4.948 -2.469) 7.981 10.972 ( -0.805 -6.322 -6.287) 8.952 11.695 ( 1.005 -8.312 4.469) 9.490 12.037 ( -2.278 -5.894 -6.067) 8.760 12.352 ( -0.416 -3.426 4.475) 5.651 12.504 ( 1.860 -4.893 -2.612) 5.850 12.781 ( -4.412 -0.081 16.365) 16.949 13.155 ( -1.072 2.962 2.721) 4.163 13.324 ( 0.501 4.501 -2.629) 5.236 13.635 ( 3.623 -0.473 -10.805) 11.406 14.023 ( -0.296 1.447 1.494) 2.101 14.207 ( 1.541 -1.432 -5.139) 5.553 14.359 ( -1.690 -2.683 6.268) 7.025 14.713 ( 1.166 -5.899 -6.255) 8.676 15.108 ( 0.657 -0.437 0.262) 0.831 15.153 ( -2.311 -0.225 -2.312) 3.277 15.480 ( -4.065 1.209 6.874) 8.077 15.597 ( 3.344 5.077 3.339) 6.935 15.818 ( 2.754 3.728 -4.665) 6.576 15.961 ( -6.395 8.549 -9.709) 14.431 16.088 ( 7.280 7.790 7.150) 12.837 16.387 ( -3.027 -1.990 -0.401) 3.645 16.956 ( -1.885 3.672 3.158) 5.197 17.318 ( 1.363 -8.061 -6.530) 10.463 18.042 ( -1.897 3.176 16.929) 17.329 18.834 ( 3.226 -0.975 -12.238) 12.694 19.644 ( 2.236 -11.694 0.910) 11.941 19.705 ( -3.364 -3.236 -1.711) 4.971 20.474 ( 2.201 -9.926 4.779) 11.234 20.764 ( -4.182 -1.184 -7.166) 8.381 21.192 ( 1.830 -1.068 2.813) 3.522 21.216 ( 0.402 -1.132 1.426) 1.865 21.720 ( -0.246 -0.684 0.937) 1.186 21.766 ( 0.185 -3.276 -0.607) 3.337 23.998 ( -5.635 15.984 2.179) 17.088 24.088 ( 6.684 14.738 -0.791) 16.202 24.569 ( 15.452 13.635 -0.851) 20.625 24.584 ( -16.333 12.690 -1.216) 20.719 25.026 ( -1.022 -5.644 0.649) 5.772 25.088 ( 1.893 -5.199 -1.674) 5.781 25.343 ( -1.419 -5.853 3.380) 6.906 25.478 ( 0.343 -8.413 -1.548) 8.561 26.919 ( 0.893 -0.827 1.413) 1.865 27.055 ( -1.701 -1.726 -4.458) 5.074 27.366 ( 1.646 -1.160 5.354) 5.720 27.572 ( -0.589 0.021 -2.980) 3.038 ======================= Grid point 98 (46/78) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -2.794 -2.430 6.027) 7.074 1.846 ( -13.242 3.105 -0.294) 13.604 1.973 ( -3.540 -2.545 -6.247) 7.618 2.160 ( 12.403 6.188 10.698) 17.509 2.246 ( -6.510 5.517 2.584) 8.916 2.600 ( 6.268 2.327 -4.986) 8.340 2.684 ( 7.497 2.114 -2.914) 8.317 2.794 ( 4.880 3.290 -5.034) 7.745 3.166 ( -10.498 -7.524 2.867) 13.230 3.259 ( -5.650 4.849 7.067) 10.265 3.374 ( 1.013 -0.446 4.219) 4.361 3.532 ( 3.013 4.818 1.112) 5.790 3.558 ( 1.764 8.084 -4.110) 9.239 4.008 ( -5.299 -2.038 -2.303) 6.126 4.109 ( 3.658 -2.710 2.593) 5.239 4.249 ( 1.449 0.849 -7.942) 8.118 4.261 ( -14.750 3.092 1.344) 15.130 4.514 ( 9.085 3.793 -2.528) 10.165 4.533 ( -0.440 6.605 3.213) 7.359 4.640 ( 0.966 2.220 1.915) 3.087 4.812 ( -0.560 4.360 0.532) 4.428 4.867 ( -0.915 -1.867 0.043) 2.080 5.015 ( -0.733 2.057 7.802) 8.102 5.394 ( -0.385 4.036 -1.540) 4.337 5.497 ( 1.106 -4.325 -3.680) 5.786 5.505 ( 1.061 -4.064 1.211) 4.371 5.804 ( 1.956 -1.268 4.118) 4.732 5.908 ( 3.694 1.709 0.391) 4.089 6.198 ( -4.432 2.134 -5.465) 7.353 6.263 ( 2.649 -2.607 -1.004) 3.850 6.505 ( -6.642 0.317 -1.620) 6.844 6.702 ( -2.742 4.559 -7.497) 9.192 6.916 ( -6.581 3.000 -5.248) 8.936 7.047 ( 7.189 -0.003 0.589) 7.213 7.183 ( 3.682 5.536 5.269) 8.483 7.393 ( 3.342 2.892 -2.972) 5.326 7.404 ( -10.566 7.494 3.304) 13.368 7.445 ( -6.461 4.692 -3.158) 8.587 7.610 ( -5.559 -1.448 2.162) 6.137 7.745 ( 8.772 2.905 -5.321) 10.663 7.813 ( 9.060 6.703 -1.841) 11.420 7.996 ( 3.974 1.877 -4.156) 6.049 8.445 ( -1.566 -3.452 11.820) 12.413 8.576 ( -4.145 -5.099 -0.549) 6.594 8.706 ( -0.367 -3.142 7.924) 8.532 9.070 ( -10.932 7.039 -1.659) 13.108 9.225 ( -1.825 2.858 -3.161) 4.636 9.538 ( 4.235 -4.143 -5.427) 8.034 9.645 ( 8.816 9.888 6.733) 14.860 9.856 ( -2.872 -2.619 -8.569) 9.409 10.047 ( 0.125 -2.400 12.785) 13.009 10.219 ( -0.533 -0.027 -1.233) 1.344 10.321 ( 2.612 5.382 -0.666) 6.020 10.398 ( -6.281 -3.314 -3.787) 8.048 10.578 ( 0.457 -6.904 4.349) 8.172 10.786 ( -4.366 -4.427 -0.404) 6.231 11.008 ( 11.992 -9.076 0.312) 15.043 11.049 ( -1.048 -7.772 -8.028) 11.223 11.870 ( 0.074 -10.273 1.592) 10.395 12.155 ( 6.920 -9.294 -4.003) 12.259 12.442 ( 0.706 -6.088 4.783) 7.775 12.610 ( 2.951 -5.284 -2.312) 6.479 12.779 ( -4.388 -0.718 16.838) 17.415 13.098 ( -1.447 3.441 2.411) 4.444 13.259 ( 0.534 3.907 -1.759) 4.318 13.631 ( 2.222 2.005 -10.475) 10.894 14.018 ( 1.145 -0.247 1.879) 2.214 14.199 ( 0.170 0.066 -5.280) 5.283 14.460 ( 3.347 -4.888 6.032) 8.455 14.807 ( 3.192 -5.094 -8.454) 10.373 15.087 ( -4.890 1.277 -1.569) 5.292 15.130 ( 0.154 -0.708 0.796) 1.076 15.411 ( -4.986 2.211 3.394) 6.424 15.553 ( 0.535 7.081 4.164) 8.232 15.661 ( -9.798 9.100 -2.817) 13.665 15.768 ( 0.491 5.744 -2.569) 6.312 16.098 ( 8.964 8.500 7.916) 14.672 16.361 ( -2.027 -1.370 -9.936) 10.233 16.921 ( 0.387 1.262 9.097) 9.192 17.458 ( 4.289 -7.844 -10.385) 13.703 17.978 ( -10.299 1.606 18.632) 21.350 18.867 ( 2.327 -3.505 -11.917) 12.638 19.717 ( -1.781 -3.296 0.194) 3.751 19.881 ( 6.813 -9.780 -1.197) 11.979 20.678 ( -0.631 -6.903 -0.635) 6.961 20.787 ( 6.419 -9.066 1.494) 11.208 21.201 ( -1.472 -1.141 -0.035) 1.862 21.308 ( 6.740 -1.568 1.818) 7.154 21.742 ( 0.233 -2.216 1.861) 2.904 21.833 ( 0.918 -6.063 -1.900) 6.420 23.468 ( -23.091 20.683 1.492) 31.036 23.988 ( -28.095 19.554 -3.587) 34.417 24.082 ( 15.102 13.953 1.933) 20.652 24.662 ( 16.796 6.720 -1.300) 18.137 25.107 ( 1.323 -4.532 -0.001) 4.721 25.194 ( 2.424 -4.260 -1.325) 5.077 25.409 ( -1.144 -3.407 4.418) 5.695 25.612 ( 3.743 -6.476 -1.685) 7.667 26.954 ( 1.035 -1.053 1.771) 2.306 27.050 ( -0.792 -1.898 -3.901) 4.410 27.388 ( -2.182 0.652 3.584) 4.246 27.569 ( 1.743 -0.475 -2.466) 3.057 ======================= Grid point 99 (47/78) ======================= q-point: (-0.12 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -12.652 5.643 2.519) 14.080 1.699 ( -1.078 4.074 4.702) 6.314 1.923 ( -1.278 6.543 0.469) 6.683 1.950 ( 2.385 10.529 1.464) 10.895 2.310 ( 7.526 4.203 9.273) 12.661 2.538 ( -2.227 -0.232 -8.557) 8.845 2.770 ( 5.299 -0.302 3.534) 6.377 2.902 ( 7.466 -1.245 -1.958) 7.818 3.064 ( -8.825 5.880 7.908) 13.228 3.207 ( 1.090 -4.227 1.055) 4.491 3.299 ( 2.961 10.091 -3.831) 11.193 3.495 ( 1.012 3.632 -1.445) 4.038 3.588 ( 0.674 -4.415 2.743) 5.241 3.955 ( -5.626 0.849 -3.194) 6.525 3.994 ( -8.814 4.946 0.980) 10.154 4.203 ( 3.262 -1.774 -1.083) 3.868 4.265 ( -1.483 -2.076 -3.202) 4.095 4.349 ( -1.670 5.120 -0.295) 5.394 4.585 ( 2.216 5.214 -0.007) 5.665 4.713 ( 4.711 -4.427 0.388) 6.476 4.810 ( 2.612 -0.789 1.657) 3.192 4.862 ( -1.134 0.298 -3.782) 3.960 5.062 ( 5.354 -1.034 8.181) 9.832 5.324 ( 0.770 3.897 -0.230) 3.979 5.553 ( -1.130 -3.650 0.896) 3.924 5.616 ( 4.759 -4.733 -0.007) 6.712 5.811 ( 0.103 0.605 -3.784) 3.833 5.960 ( 3.762 3.070 0.041) 4.856 6.098 ( -2.750 3.267 2.417) 4.907 6.297 ( -7.647 0.884 -3.755) 8.565 6.363 ( -1.679 0.187 -2.801) 3.271 6.545 ( -9.674 4.064 -3.242) 10.982 6.740 ( -1.827 5.645 -7.348) 9.444 7.051 ( -1.169 5.119 -1.258) 5.400 7.177 ( -4.525 1.956 0.718) 4.982 7.266 ( 7.684 1.617 2.808) 8.339 7.327 ( 1.812 2.646 -1.345) 3.477 7.430 ( 4.161 4.017 2.229) 6.198 7.563 ( -6.787 -3.124 0.870) 7.522 7.784 ( 6.468 3.380 -3.802) 8.229 7.869 ( 11.430 3.728 -2.237) 12.229 8.044 ( 5.344 -0.353 -0.713) 5.403 8.478 ( -6.165 -3.334 8.177) 10.770 8.611 ( -2.793 -6.281 6.393) 9.388 8.751 ( -0.013 -0.138 2.860) 2.864 8.851 ( -9.802 1.827 2.015) 10.172 9.141 ( -2.868 1.798 -2.348) 4.119 9.562 ( 2.442 4.641 -5.166) 7.361 9.702 ( 5.444 0.482 0.387) 5.479 9.833 ( 1.253 0.376 -6.838) 6.962 10.074 ( -1.983 0.659 10.520) 10.726 10.225 ( -0.452 -1.990 -1.637) 2.616 10.301 ( 3.483 2.708 -3.090) 5.386 10.378 ( -5.867 -5.497 -0.752) 8.075 10.618 ( -4.682 -3.696 -1.148) 6.075 10.806 ( -3.354 -3.618 4.132) 6.435 11.101 ( -3.885 -7.451 -8.878) 12.224 11.265 ( 7.705 -6.019 0.774) 9.807 11.995 ( -1.637 -8.369 -1.847) 8.725 12.424 ( 9.350 -6.983 -1.745) 11.800 12.556 ( -2.154 -7.989 7.491) 11.161 12.718 ( 2.168 -4.718 -1.492) 5.402 12.791 ( -2.427 -1.024 13.670) 13.922 13.022 ( -2.432 4.418 3.775) 6.299 13.218 ( 1.351 2.368 -1.572) 3.147 13.581 ( 2.621 3.790 -10.143) 11.141 14.078 ( 4.468 -1.444 -0.035) 4.696 14.195 ( 1.424 0.222 -5.352) 5.542 14.619 ( 4.696 -6.002 7.377) 10.606 14.877 ( 2.343 -2.125 -9.219) 9.746 14.977 ( -6.964 1.498 -0.098) 7.124 15.112 ( -2.029 1.921 0.770) 2.898 15.293 ( -4.480 3.711 0.327) 5.826 15.369 ( -7.505 6.211 0.182) 9.743 15.521 ( 0.218 4.644 5.302) 7.051 15.702 ( 2.239 4.567 -1.156) 5.216 16.125 ( 9.736 8.828 8.797) 15.815 16.313 ( -0.848 -0.680 -15.867) 15.904 16.994 ( 2.243 -3.568 13.271) 13.924 17.576 ( 4.375 -2.840 -6.516) 8.347 17.852 ( -16.493 -3.611 13.041) 21.333 18.907 ( 0.060 -3.569 -11.505) 12.046 19.750 ( -0.846 -2.651 2.925) 4.038 20.062 ( 4.910 -3.650 -5.094) 7.961 20.732 ( -0.515 -4.749 2.720) 5.497 21.124 ( 11.413 -11.234 3.021) 16.297 21.189 ( -1.819 -1.053 0.026) 2.102 21.432 ( 6.933 -1.357 -0.704) 7.100 21.833 ( 3.664 -6.991 3.205) 8.519 22.005 ( 6.543 -12.731 -3.465) 14.728 22.830 ( -23.112 20.225 1.899) 30.770 23.223 ( -33.256 22.296 -3.878) 40.226 24.100 ( 16.025 13.681 1.264) 21.108 24.791 ( 10.197 1.104 -1.449) 10.359 25.184 ( 2.429 -1.674 -1.276) 3.214 25.267 ( 1.024 -3.038 -0.860) 3.319 25.441 ( -1.562 -1.564 4.841) 5.321 25.756 ( 5.187 -4.584 -0.998) 6.994 26.976 ( -0.637 -0.826 0.366) 1.106 27.073 ( 1.686 -1.286 -1.369) 2.524 27.316 ( -4.296 2.747 0.824) 5.166 27.609 ( 2.670 -0.598 -1.443) 3.093 ======================= Grid point 105 (48/78) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -19.363 0.000 -6.665) 20.478 1.637 ( 3.860 -0.000 5.667) 6.857 2.007 ( 5.518 -0.000 -0.388) 5.531 2.132 ( 24.829 -0.000 5.050) 25.338 2.282 ( -6.602 0.000 4.920) 8.234 2.586 ( 6.964 -0.000 -4.133) 8.098 2.615 ( -8.484 0.000 0.558) 8.503 2.870 ( -3.450 0.000 -12.768) 13.226 3.132 ( -9.381 0.000 -1.117) 9.448 3.167 ( 2.050 -0.000 0.329) 2.076 3.471 ( -4.442 0.000 22.485) 22.919 3.760 ( -0.689 0.000 -2.224) 2.328 3.843 ( -2.526 0.000 -3.520) 4.332 3.968 ( 5.623 -0.000 -0.241) 5.628 4.062 ( -0.136 0.000 -0.426) 0.447 4.242 ( -13.339 0.000 -8.480) 15.806 4.450 ( 5.679 -0.000 7.862) 9.698 4.523 ( 11.386 -0.000 -2.529) 11.663 4.654 ( 1.900 -0.000 -5.179) 5.517 4.760 ( -0.334 0.000 -1.587) 1.621 5.004 ( -6.299 0.000 3.420) 7.168 5.018 ( -0.363 0.000 9.172) 9.179 5.116 ( -0.878 0.000 5.964) 6.028 5.168 ( 5.843 -0.000 -0.707) 5.886 5.455 ( 0.811 -0.000 -5.597) 5.655 5.535 ( -1.991 0.000 -9.856) 10.055 5.889 ( -7.737 0.000 1.279) 7.842 5.913 ( 2.809 -0.000 1.510) 3.189 6.049 ( 6.011 -0.000 6.227) 8.655 6.407 ( -4.153 0.000 -6.450) 7.671 6.504 ( -0.646 0.000 7.157) 7.186 6.867 ( 4.294 -0.000 -9.376) 10.313 6.955 ( 3.876 -0.000 -3.863) 5.472 6.993 ( -7.927 0.000 -5.673) 9.748 7.208 ( 6.196 -0.000 4.643) 7.742 7.366 ( 3.840 -0.000 6.817) 7.824 7.586 ( 3.377 -0.000 -8.545) 9.189 7.691 ( -1.183 0.000 5.532) 5.657 7.711 ( -5.917 0.000 2.817) 6.554 7.809 ( 5.529 -0.000 -10.306) 11.695 8.039 ( 4.727 -0.000 4.574) 6.578 8.133 ( -10.039 0.000 -0.358) 10.045 8.320 ( -0.470 0.000 0.452) 0.652 8.466 ( -0.870 0.000 -4.768) 4.847 8.545 ( -4.133 0.000 8.771) 9.696 9.118 ( 4.238 -0.000 -12.806) 13.489 9.476 ( -0.930 0.000 1.754) 1.986 9.622 ( -2.839 0.000 -2.819) 4.000 9.743 ( 8.649 -0.000 5.660) 10.337 9.816 ( -8.742 0.000 -0.347) 8.749 10.052 ( -6.246 0.000 6.361) 8.915 10.078 ( 4.960 -0.000 7.034) 8.607 10.277 ( 5.867 -0.000 -1.333) 6.017 10.293 ( 3.645 -0.000 1.091) 3.805 10.572 ( 0.288 -0.000 3.612) 3.623 10.592 ( 1.756 -0.000 -0.629) 1.866 10.750 ( -1.797 0.000 -3.966) 4.354 10.864 ( -3.106 0.000 -5.822) 6.598 11.569 ( -0.878 0.000 5.793) 5.859 11.947 ( -1.208 0.000 -5.849) 5.973 12.307 ( -0.477 0.000 3.727) 3.757 12.423 ( 2.755 -0.000 -2.741) 3.886 12.783 ( -4.716 0.000 15.466) 16.169 13.208 ( -0.872 0.000 2.182) 2.350 13.413 ( 0.031 -0.000 -3.435) 3.435 13.612 ( 5.321 -0.000 -10.940) 12.165 14.053 ( -1.503 0.000 0.197) 1.516 14.163 ( 4.720 -0.000 -3.902) 6.124 14.330 ( -4.621 0.000 6.308) 7.819 14.608 ( 2.026 -0.000 -4.140) 4.610 15.094 ( -1.702 0.000 0.149) 1.708 15.154 ( 0.388 -0.000 -2.411) 2.442 15.492 ( -5.184 0.000 7.106) 8.796 15.676 ( 2.260 -0.000 4.459) 4.999 15.866 ( 2.256 -0.000 -7.586) 7.914 16.105 ( -1.339 0.000 -12.071) 12.145 16.237 ( 5.286 -0.000 3.532) 6.357 16.328 ( -4.832 0.000 4.591) 6.665 17.036 ( 4.741 -0.000 -0.853) 4.817 17.168 ( -6.091 0.000 2.762) 6.688 18.122 ( 1.023 -0.000 11.085) 11.132 18.822 ( 1.040 -0.000 -11.897) 11.943 19.426 ( 2.024 -0.000 4.019) 4.500 19.644 ( -3.336 0.000 -4.627) 5.704 20.323 ( 2.265 -0.000 7.167) 7.516 20.749 ( -3.564 0.000 -10.470) 11.060 21.187 ( 4.265 -0.000 3.640) 5.607 21.189 ( -2.273 0.000 1.556) 2.754 21.713 ( -0.291 0.000 0.398) 0.493 21.718 ( 0.261 -0.000 0.404) 0.481 24.281 ( -1.554 0.000 1.801) 2.379 24.360 ( 1.340 -0.000 -1.140) 1.759 24.779 ( 2.266 -0.000 1.392) 2.660 24.822 ( -2.098 0.000 -0.251) 2.113 24.980 ( 6.073 -0.000 -0.405) 6.087 25.038 ( -6.830 0.000 -2.712) 7.349 25.180 ( 3.572 -0.000 1.926) 4.058 25.237 ( -2.828 0.000 -0.407) 2.857 26.907 ( 1.034 -0.000 1.145) 1.543 27.027 ( -1.791 0.000 -4.123) 4.495 27.342 ( 1.753 -0.000 5.748) 6.009 27.568 ( -0.714 0.000 -3.253) 3.331 ======================= Grid point 106 (49/78) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -10.746 -6.796 -0.594) 12.729 1.766 ( 1.339 -5.325 4.985) 7.416 1.895 ( -9.789 -0.680 -2.144) 10.044 2.303 ( 0.947 5.406 4.564) 7.138 2.374 ( 4.040 1.601 -2.437) 4.982 2.619 ( 12.937 -3.090 3.922) 13.867 2.697 ( 5.655 3.037 -9.860) 11.765 2.822 ( 7.621 -3.476 -7.278) 11.097 3.027 ( -7.957 -1.542 2.228) 8.406 3.206 ( -0.186 -3.192 0.245) 3.207 3.470 ( -1.333 4.134 20.957) 21.402 3.719 ( 0.635 6.135 -0.240) 6.172 3.765 ( -2.701 3.429 -4.622) 6.357 3.976 ( -7.254 -0.341 -1.059) 7.339 4.047 ( -1.869 -0.921 -3.216) 3.832 4.100 ( -4.494 -4.128 -2.369) 6.546 4.529 ( -2.713 6.545 -3.699) 7.993 4.551 ( 2.059 0.030 4.710) 5.140 4.639 ( 3.157 2.650 -2.634) 4.891 4.764 ( 0.846 -1.910 -3.102) 3.739 4.878 ( -1.580 6.482 3.752) 7.655 5.020 ( -6.757 2.984 3.958) 8.380 5.040 ( -2.947 2.269 9.725) 10.412 5.291 ( 0.592 -6.761 1.329) 6.916 5.439 ( -4.501 -0.220 -6.862) 8.210 5.453 ( -0.680 -0.656 -7.282) 7.343 5.801 ( -2.468 0.900 3.726) 4.559 5.961 ( 3.879 0.753 2.192) 4.518 6.175 ( 5.791 -1.995 4.971) 7.889 6.292 ( -4.654 3.502 -7.309) 9.346 6.464 ( -8.010 -2.371 2.993) 8.873 6.829 ( -4.992 3.054 -9.311) 10.997 6.887 ( -2.844 -2.177 -5.292) 6.390 7.036 ( 5.243 -0.982 -0.426) 5.351 7.294 ( 4.710 2.094 3.776) 6.389 7.425 ( 3.656 0.834 2.154) 4.324 7.565 ( -4.834 0.463 -5.898) 7.640 7.608 ( -4.718 4.428 2.665) 6.998 7.658 ( -6.241 2.487 3.664) 7.653 7.799 ( 0.282 1.625 -11.080) 11.202 7.973 ( 2.092 4.094 -0.464) 4.621 8.106 ( 3.365 2.883 3.043) 5.376 8.328 ( -0.638 -1.920 4.270) 4.725 8.479 ( -2.971 -2.843 -2.895) 5.029 8.570 ( 1.133 -4.154 7.381) 8.545 9.155 ( 3.172 -1.822 -12.762) 13.276 9.383 ( -7.543 8.166 3.349) 11.610 9.521 ( -5.075 1.205 -2.189) 5.657 9.741 ( -4.621 -4.610 -0.535) 6.549 9.844 ( 3.962 1.939 3.559) 5.668 9.994 ( 0.833 0.058 9.297) 9.334 10.198 ( 1.846 -0.221 2.326) 2.977 10.331 ( 7.231 -0.104 1.092) 7.314 10.435 ( 3.765 -2.723 2.944) 5.500 10.542 ( 3.070 6.250 0.369) 6.973 10.713 ( -0.441 -0.929 -4.177) 4.302 10.732 ( 9.044 -7.376 -0.255) 11.673 10.869 ( 1.656 -4.013 -6.315) 7.663 11.641 ( 3.468 -4.095 6.159) 8.169 11.958 ( 2.606 -3.519 -6.209) 7.598 12.330 ( 0.984 -1.448 2.571) 3.111 12.496 ( 5.925 -2.085 -2.333) 6.700 12.766 ( -4.954 -0.142 16.289) 17.026 13.188 ( -0.821 2.000 1.816) 2.823 13.375 ( -0.250 2.934 -3.304) 4.426 13.653 ( 4.702 -0.063 -10.439) 11.449 14.012 ( -3.317 -0.170 0.262) 3.331 14.187 ( -0.834 -0.592 -2.586) 2.780 14.354 ( 3.725 -1.838 4.951) 6.462 14.675 ( 5.438 -2.907 -4.694) 7.749 15.079 ( -2.230 -1.024 0.016) 2.454 15.139 ( -0.516 0.954 -1.361) 1.740 15.429 ( -6.635 -0.444 5.101) 8.381 15.693 ( 0.368 2.354 6.156) 6.601 15.823 ( -4.508 1.505 -5.163) 7.017 15.979 ( -3.240 7.108 -11.675) 14.047 16.269 ( -2.407 -0.845 2.176) 3.353 16.302 ( 1.138 1.082 4.024) 4.319 17.027 ( -0.237 5.136 2.581) 5.753 17.218 ( 4.399 -7.027 -1.969) 8.520 18.118 ( -2.962 4.694 12.964) 14.102 18.768 ( -3.521 -2.757 -12.229) 13.021 19.589 ( 9.898 -6.778 3.512) 12.500 19.620 ( -0.696 -2.432 -4.048) 4.773 20.447 ( 6.916 -4.682 7.140) 10.988 20.687 ( -1.318 -0.839 -9.207) 9.338 21.173 ( -1.074 -0.546 0.396) 1.268 21.272 ( 6.097 -0.674 2.774) 6.732 21.710 ( -0.467 -0.299 0.494) 0.742 21.729 ( -0.401 -1.506 0.172) 1.568 24.021 ( -17.656 15.097 1.083) 23.256 24.333 ( -0.653 0.195 -0.074) 0.685 24.578 ( -15.862 18.362 -0.771) 24.276 24.807 ( 4.152 2.837 0.155) 5.032 25.027 ( 6.026 -4.343 -0.712) 7.462 25.050 ( 1.578 -3.080 -0.755) 3.542 25.261 ( 3.563 -4.099 2.588) 6.016 25.379 ( 5.763 -7.668 -1.247) 9.673 26.937 ( 2.141 -0.090 1.560) 2.651 27.000 ( -1.242 -1.133 -3.676) 4.042 27.383 ( 0.438 -0.431 5.396) 5.431 27.547 ( -0.863 -0.638 -3.929) 4.073 ======================= Grid point 107 (50/78) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -7.412 -8.452 3.390) 11.741 1.702 ( -5.891 -1.743 2.656) 6.693 1.924 ( 0.996 -1.196 -4.262) 4.537 2.181 ( -9.042 -0.275 -2.555) 9.400 2.414 ( 5.872 0.964 13.637) 14.879 2.587 ( -2.340 1.515 -17.354) 17.577 2.847 ( -0.947 7.184 0.614) 7.272 2.942 ( 4.780 -1.035 3.845) 6.221 3.012 ( 8.502 -2.376 -0.384) 8.836 3.257 ( -0.152 1.278 3.431) 3.665 3.401 ( -2.576 4.782 6.948) 8.819 3.621 ( -2.373 4.483 -0.116) 5.074 3.669 ( 3.418 6.412 0.535) 7.286 3.888 ( -5.362 -2.076 0.446) 5.767 4.033 ( -9.852 -4.352 -4.384) 11.629 4.131 ( 3.171 -2.605 1.313) 4.308 4.317 ( -5.729 6.767 -2.787) 9.294 4.479 ( -9.142 1.627 1.021) 9.342 4.667 ( 2.650 0.848 0.359) 2.806 4.775 ( 3.188 4.632 -3.395) 6.568 4.850 ( 2.685 2.319 1.118) 3.719 4.892 ( 1.203 2.953 3.188) 4.509 5.024 ( -2.756 -1.108 10.360) 10.778 5.341 ( -5.803 -3.950 -1.882) 7.268 5.400 ( -1.924 -4.621 -4.118) 6.481 5.473 ( 2.468 -3.051 -2.080) 4.441 5.801 ( -0.699 -1.465 1.029) 1.922 6.029 ( 5.384 1.024 3.660) 6.591 6.169 ( -2.188 2.307 -3.731) 4.902 6.283 ( 4.100 -0.886 2.932) 5.118 6.381 ( -9.157 -0.923 -0.235) 9.207 6.644 ( -10.442 3.461 -9.375) 14.453 6.844 ( -2.485 -0.044 -9.134) 9.466 7.135 ( 5.371 0.151 3.039) 6.173 7.256 ( -5.228 2.666 1.180) 5.986 7.354 ( -11.910 5.624 3.021) 13.513 7.454 ( -2.343 4.856 -6.791) 8.671 7.476 ( 1.940 0.848 -0.869) 2.289 7.578 ( 1.596 2.758 5.810) 6.626 7.803 ( 0.939 -1.909 -8.304) 8.572 7.998 ( 6.067 2.196 -1.452) 6.614 8.109 ( 5.504 4.642 1.673) 7.392 8.378 ( -3.228 -4.765 9.283) 10.923 8.450 ( -4.890 -2.643 -3.222) 6.425 8.695 ( 3.818 -3.292 6.284) 8.056 9.044 ( -9.064 9.029 -2.285) 12.996 9.205 ( -3.017 2.427 -3.862) 5.468 9.493 ( 0.583 -3.246 -4.371) 5.476 9.749 ( -6.429 -5.102 -4.059) 9.156 9.874 ( 4.759 2.658 6.925) 8.813 10.047 ( -0.106 -0.306 7.175) 7.183 10.213 ( 5.091 4.093 4.240) 7.788 10.369 ( 1.613 2.245 0.140) 2.768 10.461 ( 2.488 7.089 1.937) 7.758 10.538 ( 2.132 -1.965 -1.665) 3.343 10.737 ( 1.684 -1.483 -0.078) 2.245 10.921 ( 2.447 -4.722 -11.806) 12.949 11.040 ( 11.313 -8.329 1.202) 14.099 11.779 ( 4.130 -4.994 0.820) 6.532 12.124 ( 9.021 -9.646 -0.905) 13.238 12.401 ( 2.309 -3.720 3.215) 5.432 12.601 ( 4.823 -1.799 -1.621) 5.397 12.766 ( -2.995 -0.951 15.410) 15.727 13.139 ( -1.186 3.375 1.473) 3.869 13.311 ( -0.407 3.451 -1.931) 3.975 13.660 ( 2.573 1.708 -9.652) 10.134 14.009 ( 0.252 -2.881 0.813) 3.004 14.177 ( -0.222 -0.998 -3.052) 3.218 14.479 ( 5.934 -3.170 4.502) 8.095 14.784 ( 5.650 -3.102 -6.753) 9.335 15.024 ( -5.419 1.037 -1.431) 5.700 15.133 ( -0.028 -0.220 1.959) 1.971 15.364 ( -5.387 -0.110 2.601) 5.983 15.607 ( -9.824 7.677 -1.221) 12.528 15.669 ( -3.806 4.806 4.217) 7.442 15.812 ( -2.532 4.057 -5.077) 6.974 16.243 ( -4.423 -3.989 -10.883) 12.406 16.332 ( 5.248 4.437 12.034) 13.858 16.975 ( -0.173 1.750 2.962) 3.445 17.392 ( 6.981 -5.761 -4.009) 9.900 17.979 ( -8.199 7.962 13.643) 17.797 18.767 ( -1.177 -5.959 -12.019) 13.466 19.657 ( 0.828 -3.207 -0.581) 3.363 19.864 ( 10.669 -8.099 0.773) 13.417 20.612 ( 2.230 -2.868 -2.526) 4.425 20.770 ( 9.766 -8.925 3.403) 13.661 21.175 ( -0.051 -0.695 -1.118) 1.318 21.392 ( 7.828 -1.348 1.101) 8.020 21.723 ( 0.667 -1.707 1.080) 2.127 21.761 ( 0.078 -3.949 -0.849) 4.040 23.463 ( -23.267 20.675 1.458) 31.160 23.953 ( -24.094 25.943 -2.451) 35.491 24.331 ( -0.478 -0.694 0.822) 1.177 24.828 ( 5.036 3.019 0.202) 5.875 25.129 ( 0.610 -5.617 -1.709) 5.902 25.161 ( 6.775 -1.270 -0.951) 6.958 25.377 ( 2.219 -2.884 4.549) 5.825 25.574 ( 7.501 -7.290 -1.565) 10.576 26.954 ( -0.104 -0.183 -0.460) 0.506 27.024 ( 2.290 -1.775 -0.597) 2.958 27.373 ( -3.040 1.322 2.348) 4.062 27.560 ( 1.031 -2.368 -2.358) 3.497 ======================= Grid point 108 (51/78) ======================= q-point: (-0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -9.905 -1.074 0.686) 9.986 1.729 ( -0.732 0.944 0.590) 1.333 1.958 ( 3.690 -3.200 8.493) 9.798 2.097 ( -3.202 -1.116 1.413) 3.673 2.375 ( -13.232 9.746 -5.859) 17.447 2.583 ( 3.815 -4.137 7.809) 9.626 2.631 ( -5.812 -2.354 -1.252) 6.394 3.005 ( 0.167 4.909 -2.268) 5.410 3.108 ( -0.777 7.723 3.056) 8.342 3.197 ( 6.327 -6.454 1.114) 9.106 3.393 ( 0.655 1.438 -2.023) 2.567 3.539 ( -0.312 3.380 1.019) 3.544 3.645 ( 3.933 6.241 4.063) 8.421 3.861 ( -7.923 -2.176 0.381) 8.225 3.891 ( -5.861 1.218 -1.453) 6.160 4.190 ( -2.303 -2.347 -7.284) 7.992 4.214 ( -2.805 -0.035 -4.935) 5.677 4.415 ( 3.539 0.600 8.137) 8.893 4.696 ( 0.908 -2.312 0.797) 2.608 4.738 ( 2.552 6.906 0.932) 7.422 4.841 ( 1.997 -1.261 0.362) 2.389 4.890 ( 2.077 4.707 -3.373) 6.152 5.101 ( 2.099 -3.423 7.555) 8.556 5.334 ( -0.832 -2.831 1.699) 3.406 5.433 ( -3.186 -5.951 -3.668) 7.682 5.614 ( 6.804 -6.479 -0.753) 9.426 5.807 ( -0.035 -0.608 -3.259) 3.315 6.018 ( -1.424 3.314 -3.117) 4.767 6.171 ( -4.701 5.381 3.441) 7.931 6.184 ( -4.784 1.556 -0.788) 5.092 6.362 ( 0.300 -1.711 1.807) 2.506 6.436 ( -5.973 1.411 -3.172) 6.908 6.762 ( -1.732 2.959 -11.648) 12.142 7.091 ( -4.109 0.074 2.813) 4.980 7.118 ( -6.046 5.237 1.392) 8.119 7.314 ( 3.991 -2.491 -0.848) 4.780 7.356 ( -5.871 -0.634 -2.648) 6.472 7.497 ( 3.943 1.850 1.671) 4.665 7.582 ( 1.919 3.975 4.629) 6.396 7.801 ( -0.585 -1.853 -9.409) 9.608 8.043 ( 4.833 1.960 -0.039) 5.216 8.153 ( 7.176 2.241 2.728) 7.997 8.385 ( -5.148 -1.261 1.942) 5.645 8.470 ( -3.595 -8.201 7.264) 11.530 8.776 ( -0.355 0.400 3.108) 3.154 8.799 ( -4.341 6.357 0.607) 7.722 9.118 ( -2.221 2.669 -3.060) 4.628 9.548 ( 1.516 -2.017 -7.533) 7.944 9.700 ( -8.491 -5.075 -5.399) 11.270 9.922 ( 3.929 2.182 6.178) 7.640 10.042 ( 0.345 1.896 1.388) 2.375 10.237 ( 5.554 5.966 9.558) 12.562 10.355 ( 1.231 2.088 -0.969) 2.610 10.414 ( 3.230 4.832 -0.940) 5.888 10.544 ( -1.704 -0.346 -1.339) 2.195 10.770 ( -1.136 -1.120 2.611) 3.060 10.947 ( 0.501 -2.741 -13.361) 13.648 11.285 ( 7.544 -5.327 0.529) 9.250 11.906 ( 4.246 -4.214 -2.549) 6.502 12.428 ( 8.681 -10.601 6.095) 14.996 12.489 ( 1.140 -1.465 2.536) 3.143 12.678 ( 1.916 -4.119 1.190) 4.696 12.802 ( -0.005 -0.332 9.648) 9.654 13.061 ( -3.016 4.239 3.057) 6.034 13.260 ( 0.110 2.196 -0.847) 2.357 13.629 ( 2.276 2.162 -9.325) 9.839 14.104 ( 4.988 -3.887 -0.519) 6.345 14.186 ( 0.137 -0.657 -3.798) 3.857 14.630 ( 5.297 -4.241 5.456) 8.707 14.844 ( -0.997 -1.366 -5.329) 5.591 14.932 ( -1.498 1.700 -2.456) 3.341 15.114 ( -2.249 1.702 1.231) 3.077 15.292 ( -3.148 2.733 1.481) 4.424 15.349 ( -7.895 5.584 -0.514) 9.684 15.565 ( -4.528 2.975 4.751) 7.206 15.750 ( -0.533 0.974 -1.573) 1.925 16.201 ( -3.552 -3.521 -15.997) 16.760 16.380 ( 5.651 5.375 15.352) 17.220 16.998 ( 0.272 -3.455 3.719) 5.084 17.517 ( 1.340 -3.669 -6.586) 7.657 17.799 ( -4.828 7.865 15.011) 17.621 18.807 ( -0.068 -4.881 -12.978) 13.866 19.720 ( 1.031 -2.572 2.866) 3.986 20.071 ( 6.039 -3.311 -3.885) 7.907 20.680 ( 2.186 -4.341 1.407) 5.060 21.117 ( 9.054 -10.511 6.883) 15.486 21.182 ( 3.508 -0.493 -3.068) 4.686 21.496 ( 4.074 -0.378 -0.848) 4.179 21.809 ( 4.704 -5.271 1.628) 7.250 21.913 ( 8.905 -11.461 -2.914) 14.803 22.823 ( -23.303 20.715 1.973) 31.241 23.177 ( -26.741 27.653 -3.364) 38.615 24.343 ( -0.286 -0.972 0.978) 1.408 24.851 ( 3.502 1.994 0.312) 4.041 25.205 ( -0.827 -4.952 -2.510) 5.613 25.246 ( 5.314 0.542 -1.289) 5.495 25.432 ( 0.358 -0.622 4.603) 4.659 25.766 ( 6.423 -4.491 -0.412) 7.848 26.958 ( 0.072 -0.801 -0.118) 0.812 27.084 ( 2.734 -1.154 -0.120) 2.970 27.295 ( -4.165 2.072 0.063) 4.652 27.610 ( 1.223 -2.190 -1.287) 2.819 ======================= Grid point 114 (52/78) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -3.116 0.000 3.774) 4.894 1.660 ( -9.981 0.000 0.570) 9.998 1.899 ( 6.750 -0.000 0.023) 6.750 2.160 ( -13.219 0.000 -9.398) 16.219 2.415 ( -3.652 0.000 10.557) 11.171 2.624 ( -5.539 0.000 -17.795) 18.637 2.885 ( 3.629 -0.000 9.235) 9.923 2.971 ( 13.667 -0.000 -1.810) 13.786 2.984 ( 8.663 -0.000 -4.499) 9.762 3.212 ( 6.931 -0.000 4.458) 8.241 3.588 ( 2.667 -0.000 20.165) 20.341 3.735 ( -2.272 0.000 -0.732) 2.387 3.811 ( -2.991 0.000 -2.800) 4.097 3.863 ( -6.357 0.000 3.518) 7.266 3.870 ( -5.829 0.000 -7.387) 9.410 4.091 ( 1.353 -0.000 -1.343) 1.906 4.463 ( -13.673 0.000 -5.190) 14.625 4.505 ( -7.666 0.000 2.349) 8.018 4.655 ( -6.408 0.000 -0.796) 6.457 4.803 ( 9.545 -0.000 4.767) 10.669 4.887 ( -5.065 0.000 -4.277) 6.629 4.987 ( -0.435 0.000 6.386) 6.400 5.042 ( -4.501 0.000 6.667) 8.044 5.237 ( -2.683 0.000 4.756) 5.460 5.305 ( -5.205 0.000 -9.430) 10.772 5.453 ( 2.429 -0.000 -5.495) 6.008 5.756 ( -5.046 0.000 4.027) 6.456 6.022 ( 3.457 -0.000 5.049) 6.119 6.246 ( -3.458 0.000 -9.651) 10.252 6.269 ( 2.538 -0.000 4.132) 4.849 6.333 ( -4.493 0.000 3.806) 5.888 6.700 ( -9.484 0.000 -10.578) 14.207 6.819 ( -2.960 0.000 -8.625) 9.119 7.131 ( 7.880 -0.000 4.097) 8.882 7.315 ( -6.762 0.000 4.551) 8.151 7.445 ( -10.203 0.000 0.962) 10.248 7.488 ( 1.883 -0.000 -1.592) 2.466 7.607 ( -2.428 0.000 -5.740) 6.232 7.625 ( -8.135 0.000 -7.170) 10.844 7.713 ( 1.193 -0.000 -1.980) 2.312 8.034 ( 4.041 -0.000 -1.962) 4.492 8.176 ( 0.666 -0.000 10.363) 10.385 8.330 ( -0.477 0.000 2.528) 2.573 8.391 ( -4.027 0.000 -5.959) 7.192 8.619 ( 6.592 -0.000 8.805) 10.999 9.161 ( 3.840 -0.000 -11.065) 11.713 9.394 ( -9.537 0.000 -1.618) 9.673 9.396 ( -7.106 0.000 2.330) 7.478 9.603 ( -4.687 0.000 -3.032) 5.582 9.899 ( 1.867 -0.000 6.698) 6.953 10.057 ( 4.246 -0.000 10.212) 11.060 10.304 ( 6.411 -0.000 2.404) 6.847 10.439 ( 4.739 -0.000 -1.721) 5.042 10.494 ( 7.653 -0.000 0.189) 7.656 10.649 ( -1.223 0.000 -0.438) 1.299 10.706 ( 5.165 -0.000 -0.666) 5.207 10.783 ( 11.251 -0.000 1.145) 11.309 10.889 ( 8.397 -0.000 -8.771) 12.143 11.721 ( 8.415 -0.000 8.093) 11.675 11.948 ( 3.706 -0.000 -6.835) 7.775 12.347 ( 2.377 -0.000 0.782) 2.502 12.587 ( 9.641 -0.000 -1.837) 9.814 12.747 ( -5.065 0.000 16.942) 17.683 13.197 ( -0.716 0.000 0.621) 0.948 13.379 ( -0.838 0.000 -3.311) 3.415 13.692 ( 5.253 -0.000 -10.903) 12.103 13.946 ( -4.570 0.000 0.038) 4.571 14.157 ( -1.466 0.000 -0.743) 1.644 14.431 ( 7.045 -0.000 3.572) 7.899 14.730 ( 6.951 -0.000 -4.316) 8.181 15.035 ( -3.583 0.000 0.479) 3.615 15.135 ( -0.702 0.000 -1.020) 1.238 15.339 ( -6.837 0.000 4.107) 7.976 15.719 ( -2.328 0.000 7.874) 8.211 15.734 ( -7.548 0.000 -5.370) 9.263 15.971 ( -2.595 0.000 -14.373) 14.606 16.115 ( -10.404 0.000 -1.814) 10.561 16.394 ( 2.198 -0.000 13.081) 13.264 17.026 ( -4.136 0.000 -5.108) 6.573 17.296 ( 11.898 -0.000 6.265) 13.446 18.158 ( -3.602 0.000 10.461) 11.064 18.623 ( -5.715 0.000 -12.439) 13.689 19.598 ( 2.051 -0.000 -3.309) 3.893 19.718 ( 13.358 -0.000 2.924) 13.674 20.562 ( 11.074 -0.000 8.079) 13.708 20.642 ( 0.224 -0.000 -8.853) 8.856 21.161 ( 0.121 -0.000 -0.727) 0.737 21.368 ( 7.619 -0.000 1.475) 7.761 21.705 ( -0.064 0.000 0.283) 0.290 21.707 ( -1.249 0.000 0.649) 1.408 23.938 ( -19.837 0.000 1.688) 19.909 24.138 ( -13.653 0.000 -0.227) 13.655 24.652 ( -11.108 0.000 -3.042) 11.517 24.729 ( -9.329 0.000 -0.196) 9.331 25.021 ( 3.798 -0.000 1.200) 3.983 25.064 ( 8.412 -0.000 1.438) 8.534 25.342 ( 4.875 -0.000 1.726) 5.171 25.439 ( 11.252 -0.000 -2.103) 11.447 26.964 ( -0.767 0.000 -2.680) 2.788 26.985 ( 3.589 -0.000 1.614) 3.935 27.402 ( -0.172 0.000 5.342) 5.345 27.507 ( -1.681 0.000 -5.342) 5.600 ======================= Grid point 115 (53/78) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -2.564 -2.950 2.874) 4.851 1.591 ( -2.841 -6.508 -3.076) 7.738 1.903 ( -5.094 1.466 1.330) 5.465 2.013 ( -9.561 -2.782 -0.786) 9.988 2.445 ( 0.450 -4.784 12.771) 13.645 2.496 ( -4.496 0.333 -14.637) 15.315 2.758 ( -15.000 6.789 2.528) 16.658 3.003 ( -2.587 -4.918 -6.223) 8.343 3.195 ( 13.130 5.295 1.359) 14.223 3.343 ( 5.113 -0.492 2.254) 5.610 3.466 ( -9.313 10.817 -1.963) 14.408 3.644 ( -2.970 0.698 9.526) 10.003 3.775 ( -7.827 -3.536 1.511) 8.721 3.851 ( 3.549 1.784 -0.083) 3.973 3.899 ( 5.971 5.369 0.691) 8.060 4.147 ( 4.213 -2.843 0.255) 5.089 4.210 ( -13.958 -0.402 -0.523) 13.974 4.382 ( -7.863 -0.064 3.716) 8.697 4.612 ( -3.957 -3.774 -1.217) 5.602 4.799 ( -1.501 0.021 -4.187) 4.448 4.914 ( -0.909 1.723 4.676) 5.066 4.984 ( 4.574 -0.552 5.521) 7.191 5.052 ( 4.109 2.540 1.575) 5.081 5.213 ( -4.223 -2.614 2.754) 5.679 5.287 ( -0.580 -3.980 -5.976) 7.203 5.478 ( 3.498 -0.611 -2.735) 4.483 5.734 ( -3.635 -3.585 3.507) 6.194 6.077 ( 0.050 0.475 -0.126) 0.494 6.169 ( 0.522 -0.216 -0.032) 0.566 6.230 ( -6.960 -1.559 -2.243) 7.477 6.376 ( 3.417 1.467 4.556) 5.881 6.500 ( -12.081 2.224 -9.646) 15.618 6.770 ( -1.076 -1.562 -11.842) 11.993 7.150 ( -10.872 2.932 1.978) 11.432 7.205 ( -12.606 0.848 2.401) 12.861 7.312 ( 5.553 2.250 6.066) 8.526 7.418 ( -7.129 3.111 -7.601) 10.875 7.497 ( -0.408 -1.118 -4.230) 4.394 7.600 ( -3.128 -3.396 -5.348) 7.066 7.774 ( 3.484 0.380 0.533) 3.545 8.071 ( 2.966 0.808 -0.792) 3.175 8.208 ( 0.018 0.122 9.755) 9.756 8.314 ( -3.516 -1.672 -6.452) 7.536 8.349 ( -0.775 -0.814 4.085) 4.237 8.756 ( 6.052 -1.212 7.798) 9.945 9.064 ( -7.576 8.567 -2.423) 11.690 9.221 ( -0.038 3.752 -4.152) 5.596 9.416 ( -2.374 -6.682 -2.613) 7.557 9.551 ( -5.262 -1.880 -5.422) 7.786 9.960 ( 3.200 0.492 8.637) 9.224 10.135 ( 3.557 1.252 9.746) 10.450 10.362 ( 4.021 1.335 0.981) 4.349 10.448 ( 2.628 4.384 -0.316) 5.122 10.551 ( 2.665 0.945 -9.630) 10.036 10.640 ( 6.505 6.252 8.298) 12.258 10.755 ( 2.718 1.116 0.849) 3.058 10.939 ( 9.678 0.821 -11.653) 15.170 11.078 ( 11.473 -7.670 -0.411) 13.807 11.849 ( 8.731 1.532 1.830) 9.051 12.090 ( 8.073 -10.421 0.144) 13.183 12.406 ( 3.641 -2.085 1.351) 4.408 12.680 ( 3.206 3.102 5.362) 6.975 12.770 ( 2.124 -2.113 9.441) 9.905 13.170 ( -0.807 2.333 -0.714) 2.570 13.336 ( -1.446 2.265 -1.911) 3.298 13.697 ( 2.887 2.779 -9.926) 10.705 13.946 ( 0.042 -5.473 -0.491) 5.495 14.152 ( 0.388 -1.032 -2.554) 2.782 14.555 ( 7.610 -0.990 4.271) 8.782 14.805 ( 2.896 -0.999 -4.503) 5.446 14.970 ( -3.370 0.855 -1.377) 3.740 15.126 ( -1.055 -0.491 1.126) 1.620 15.291 ( -3.652 -1.552 3.093) 5.031 15.560 ( -9.641 5.582 -3.773) 11.762 15.685 ( -4.988 2.331 7.095) 8.981 15.793 ( -7.137 4.914 -5.600) 10.318 16.044 ( -7.661 -7.041 -9.853) 14.330 16.462 ( 2.149 0.759 17.577) 17.724 16.949 ( -3.790 -0.446 -6.547) 7.578 17.484 ( 10.417 0.552 5.943) 12.006 18.058 ( -4.065 7.948 8.938) 12.633 18.598 ( -1.221 -7.616 -13.016) 15.130 19.645 ( 3.112 -1.809 -0.480) 3.631 19.933 ( 11.402 -3.786 0.544) 12.027 20.623 ( 2.695 0.595 -4.354) 5.155 20.821 ( 13.292 -7.039 7.262) 16.702 21.172 ( 1.843 -0.417 -2.282) 2.962 21.481 ( 6.761 -0.566 -0.795) 6.831 21.707 ( -0.607 -2.516 0.067) 2.589 21.728 ( 3.232 -1.226 0.961) 3.588 23.454 ( -23.194 19.335 1.736) 30.246 24.069 ( -15.825 4.972 -6.380) 17.772 24.102 ( -16.816 12.785 4.206) 21.539 24.854 ( -4.731 -14.004 -2.365) 14.970 25.051 ( 4.657 1.916 0.767) 5.094 25.217 ( 6.012 -2.916 2.169) 7.025 25.408 ( 3.049 -0.560 2.862) 4.219 25.605 ( 9.611 -3.933 -2.314) 10.639 26.951 ( 0.285 0.287 -1.025) 1.102 27.049 ( 3.688 -0.883 0.794) 3.875 27.369 ( -2.970 3.201 1.270) 4.548 27.509 ( -0.302 -4.112 -3.005) 5.102 ======================= Grid point 116 (54/78) ======================= q-point: (-0.12 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -3.161 -1.740 1.944) 4.099 1.689 ( -2.334 -7.792 -8.710) 11.918 1.812 ( -15.758 -3.905 9.902) 19.016 1.993 ( -3.015 -6.331 15.301) 16.832 2.319 ( -15.893 11.165 -0.115) 19.423 2.433 ( -3.439 -2.973 -10.589) 11.523 2.592 ( -1.926 -8.141 2.293) 8.675 3.015 ( -5.884 -3.816 -4.835) 8.519 3.182 ( -6.014 6.101 0.881) 8.612 3.210 ( 2.387 2.803 2.650) 4.536 3.436 ( 1.155 1.447 2.199) 2.875 3.594 ( -3.469 1.017 -0.734) 3.689 3.717 ( -3.949 -0.324 0.386) 3.981 3.810 ( 0.485 5.590 3.818) 6.787 3.903 ( 3.317 2.971 0.955) 4.554 4.016 ( -9.004 -1.181 -1.759) 9.250 4.221 ( 2.065 2.068 -1.689) 3.376 4.487 ( 6.783 -4.015 8.451) 11.557 4.639 ( 0.585 -4.594 -4.003) 6.121 4.829 ( 1.522 -2.331 -0.043) 2.784 4.859 ( 1.109 3.745 -0.372) 3.923 5.010 ( 1.643 7.342 -1.054) 7.597 5.106 ( 3.412 -2.626 5.328) 6.850 5.220 ( -5.058 -4.791 1.261) 7.079 5.341 ( 2.068 -4.115 -2.668) 5.322 5.597 ( 6.134 -7.116 -0.910) 9.439 5.760 ( -1.709 -2.796 0.305) 3.291 6.017 ( -2.174 1.338 -5.410) 5.982 6.099 ( -8.359 4.582 -2.309) 9.808 6.191 ( -6.062 1.827 -0.970) 6.405 6.331 ( 2.595 -3.558 3.961) 5.923 6.441 ( 2.391 -0.244 2.719) 3.629 6.708 ( -3.300 1.288 -15.417) 15.818 6.981 ( -13.561 -0.344 1.208) 13.619 7.058 ( -2.012 -3.407 1.312) 4.169 7.251 ( -8.767 1.274 -4.426) 9.903 7.427 ( 8.016 3.311 5.811) 10.440 7.510 ( -1.727 -3.994 1.545) 4.617 7.588 ( -2.902 -2.495 -3.921) 5.479 7.763 ( -1.154 2.397 -3.993) 4.798 8.090 ( 0.489 0.001 1.209) 1.305 8.228 ( -0.932 0.432 1.765) 2.042 8.255 ( -7.365 -3.771 -1.172) 8.356 8.421 ( 4.606 -1.844 8.153) 9.544 8.779 ( -3.293 4.218 0.286) 5.359 8.907 ( 3.483 4.826 4.468) 7.442 9.159 ( 1.056 4.540 -3.157) 5.630 9.410 ( -12.117 -6.053 -4.013) 14.127 9.547 ( 4.033 -2.003 -6.772) 8.132 10.008 ( 2.565 1.947 6.979) 7.686 10.184 ( 4.399 2.755 5.978) 7.918 10.395 ( 1.907 0.375 1.642) 2.545 10.406 ( 2.757 5.242 -0.004) 5.923 10.515 ( 1.900 4.684 -7.798) 9.293 10.649 ( 5.915 9.255 9.485) 14.512 10.716 ( -2.597 1.888 -4.410) 5.455 10.988 ( 8.218 2.795 -10.912) 13.943 11.316 ( 7.921 -4.850 -0.175) 9.290 11.965 ( 9.240 -0.284 -2.890) 9.686 12.404 ( 8.361 -11.302 8.012) 16.181 12.510 ( 4.017 -2.922 2.436) 5.532 12.669 ( -0.673 0.833 6.383) 6.472 12.849 ( 3.457 1.242 3.359) 4.978 13.089 ( -3.496 4.950 0.101) 6.061 13.278 ( -1.301 1.598 -0.317) 2.085 13.655 ( 1.387 2.075 -8.597) 8.952 14.085 ( 4.746 -7.311 -1.784) 8.897 14.166 ( 0.457 -0.419 -4.758) 4.798 14.670 ( 2.599 -0.205 3.993) 4.769 14.783 ( -2.354 -1.434 0.512) 2.804 14.962 ( 3.795 0.863 -5.199) 6.495 15.103 ( -2.611 0.787 0.623) 2.797 15.287 ( -1.492 -0.323 2.223) 2.697 15.331 ( -6.236 5.750 -0.817) 8.522 15.536 ( -8.003 3.855 3.278) 9.469 15.704 ( -4.918 -2.222 1.436) 5.585 16.015 ( -5.957 -6.353 -14.098) 16.570 16.542 ( 2.417 1.838 22.302) 22.507 16.904 ( -4.345 -3.914 -6.945) 9.079 17.522 ( -1.696 4.564 3.459) 5.972 17.986 ( 7.816 7.674 9.771) 14.678 18.682 ( 2.273 -7.135 -14.531) 16.346 19.719 ( 2.523 -2.001 2.382) 4.005 20.102 ( 6.084 -2.180 -4.015) 7.609 20.678 ( 4.126 -2.385 2.066) 5.194 21.112 ( 4.682 -4.979 4.809) 8.357 21.244 ( 9.869 -2.969 -0.210) 10.308 21.519 ( 0.181 0.438 -1.527) 1.599 21.780 ( 3.396 -6.555 -0.437) 7.395 21.927 ( 15.753 -8.629 -1.295) 18.008 22.825 ( -22.896 20.841 2.107) 31.032 23.292 ( -22.301 34.173 -3.952) 40.997 24.094 ( -14.837 -14.211 1.219) 20.581 24.933 ( -1.246 -2.861 -2.215) 3.826 25.109 ( 2.225 -2.668 -0.389) 3.496 25.309 ( 3.730 0.151 0.661) 3.791 25.452 ( 1.120 -0.007 3.834) 3.995 25.792 ( 7.067 -4.484 -0.605) 8.391 26.957 ( 0.898 -0.132 0.240) 0.939 27.108 ( 2.797 -0.672 -0.504) 2.920 27.270 ( -3.909 2.407 -0.709) 4.645 27.567 ( -0.080 -4.088 -1.893) 4.506 ======================= Grid point 123 (55/78) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.294 0.000 3.678) 3.690 1.415 ( -10.513 0.000 -4.909) 11.603 1.817 ( -9.615 0.000 13.845) 16.856 1.878 ( -6.696 0.000 -2.836) 7.272 2.406 ( -3.368 0.000 -7.765) 8.464 2.421 ( -2.751 0.000 -0.516) 2.799 2.713 ( -9.103 0.000 8.886) 12.721 2.715 ( -23.948 0.000 -9.186) 25.649 3.303 ( -8.560 0.000 3.205) 9.140 3.376 ( 1.375 -0.000 -3.501) 3.762 3.438 ( -5.691 0.000 -0.549) 5.718 3.466 ( -9.520 0.000 -3.355) 10.094 3.761 ( 0.493 -0.000 11.721) 11.732 3.920 ( 3.874 -0.000 1.177) 4.049 3.956 ( -12.712 0.000 5.689) 13.927 4.123 ( 2.345 -0.000 -2.906) 3.734 4.292 ( 21.297 -0.000 4.042) 21.677 4.301 ( -3.952 0.000 3.132) 5.043 4.519 ( -1.806 0.000 -3.487) 3.927 4.773 ( 2.415 -0.000 -2.645) 3.581 4.949 ( -2.100 0.000 2.029) 2.921 5.012 ( 2.346 -0.000 1.021) 2.558 5.118 ( 1.200 -0.000 10.610) 10.678 5.216 ( 4.744 -0.000 -4.861) 6.792 5.243 ( 0.696 -0.000 -3.088) 3.165 5.528 ( 4.526 -0.000 -2.631) 5.236 5.662 ( -3.153 0.000 6.459) 7.188 6.037 ( -3.851 0.000 -7.971) 8.853 6.140 ( -3.367 0.000 -2.976) 4.494 6.192 ( 0.299 -0.000 5.631) 5.639 6.323 ( -9.442 0.000 -6.681) 11.567 6.443 ( 2.034 -0.000 4.090) 4.568 6.706 ( -0.892 0.000 -15.905) 15.930 6.991 ( -18.588 0.000 0.206) 18.589 7.029 ( -7.435 0.000 1.977) 7.693 7.288 ( -10.472 0.000 -5.645) 11.896 7.417 ( -4.468 0.000 -3.432) 5.634 7.485 ( 7.822 -0.000 4.253) 8.903 7.513 ( -1.951 0.000 2.156) 2.908 7.803 ( -1.359 0.000 -0.541) 1.463 8.098 ( -0.079 0.000 -1.607) 1.609 8.182 ( -6.633 0.000 -1.077) 6.720 8.241 ( -0.146 0.000 0.562) 0.581 8.410 ( 5.516 -0.000 6.176) 8.280 8.849 ( 3.811 -0.000 7.985) 8.848 9.007 ( -9.628 0.000 -3.535) 10.256 9.222 ( -1.728 0.000 1.597) 2.353 9.367 ( 6.178 -0.000 -7.573) 9.774 9.481 ( -2.718 0.000 -7.175) 7.672 10.041 ( 3.349 -0.000 9.492) 10.066 10.200 ( 0.522 -0.000 8.826) 8.841 10.384 ( 0.065 -0.000 -2.326) 2.327 10.528 ( 2.687 -0.000 2.815) 3.891 10.561 ( 2.299 -0.000 -6.659) 7.045 10.815 ( 7.296 -0.000 9.164) 11.713 10.843 ( 6.310 -0.000 -10.785) 12.495 11.122 ( 11.046 -0.000 -7.154) 13.160 11.124 ( 11.104 -0.000 1.046) 11.153 12.043 ( 5.751 -0.000 -5.074) 7.669 12.061 ( 10.729 -0.000 8.138) 13.466 12.451 ( 4.559 -0.000 1.300) 4.740 12.729 ( -3.965 0.000 16.918) 17.377 12.868 ( 9.685 -0.000 -1.039) 9.740 13.179 ( 0.656 -0.000 -4.532) 4.580 13.323 ( -2.523 0.000 -0.527) 2.577 13.755 ( 5.160 -0.000 -14.875) 15.745 13.880 ( 0.172 -0.000 1.622) 1.631 14.147 ( 1.805 -0.000 -5.228) 5.531 14.680 ( 8.855 -0.000 5.800) 10.585 14.762 ( -6.352 0.000 -1.646) 6.562 14.971 ( 3.732 -0.000 -4.443) 5.803 15.102 ( -2.110 0.000 1.334) 2.496 15.258 ( -1.166 0.000 4.127) 4.289 15.477 ( -7.768 0.000 -4.490) 8.972 15.630 ( -8.309 0.000 7.930) 11.485 15.740 ( -8.474 0.000 -10.662) 13.619 15.789 ( -11.137 0.000 -1.459) 11.232 16.555 ( 2.225 -0.000 23.026) 23.134 16.850 ( -5.181 0.000 -11.256) 12.391 17.665 ( 7.958 -0.000 9.731) 12.571 18.094 ( -4.050 0.000 8.732) 9.625 18.520 ( 7.919 -0.000 -15.547) 17.447 19.680 ( 3.660 -0.000 0.614) 3.711 20.046 ( 8.739 -0.000 -1.874) 8.938 20.663 ( 3.937 -0.000 -1.816) 4.336 20.977 ( 12.355 -0.000 8.995) 15.282 21.208 ( 6.137 -0.000 -3.213) 6.927 21.538 ( 2.242 -0.000 -2.955) 3.709 21.670 ( -1.129 0.000 0.323) 1.175 21.810 ( 10.306 -0.000 0.924) 10.347 23.331 ( -24.530 0.000 2.826) 24.692 23.686 ( -18.664 0.000 -1.784) 18.749 24.329 ( -9.795 0.000 -6.108) 11.543 24.404 ( -13.399 0.000 0.807) 13.423 25.144 ( 3.775 -0.000 0.529) 3.811 25.292 ( 6.410 -0.000 4.006) 7.559 25.450 ( 2.169 -0.000 3.876) 4.442 25.685 ( 7.725 -0.000 -3.514) 8.487 26.964 ( 1.260 -0.000 0.239) 1.283 27.094 ( 3.479 -0.000 -0.160) 3.483 27.396 ( -2.515 0.000 4.390) 5.059 27.411 ( -2.323 0.000 -8.586) 8.894 ======================= Grid point 124 (56/78) ======================= q-point: (-0.12 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -10.168 -0.682 7.088) 12.414 1.334 ( -19.991 -8.238 9.227) 23.508 1.722 ( -6.037 2.110 0.798) 6.445 1.874 ( -1.298 -7.454 9.645) 12.258 2.172 ( -27.962 0.910 -4.322) 28.309 2.327 ( -5.175 -0.430 -8.325) 9.812 2.432 ( -2.511 -3.459 -4.266) 6.039 2.740 ( -10.900 -10.127 6.753) 16.339 3.144 ( -7.897 2.113 0.783) 8.213 3.316 ( 1.877 4.696 1.280) 5.216 3.351 ( -12.108 -4.671 -4.397) 13.702 3.456 ( -1.730 -2.750 3.010) 4.429 3.726 ( -4.513 0.375 1.018) 4.642 3.856 ( -1.912 5.940 8.929) 10.894 4.002 ( 4.617 -1.356 5.050) 6.976 4.079 ( 5.000 7.966 -2.948) 9.857 4.295 ( 4.026 1.222 0.254) 4.215 4.543 ( 3.270 -1.738 1.040) 3.846 4.578 ( 8.406 -5.545 -6.355) 11.907 4.827 ( -9.556 0.874 -6.992) 11.873 4.860 ( 5.998 -0.831 0.554) 6.080 5.087 ( 3.699 -0.847 3.510) 5.170 5.154 ( 0.376 4.833 -1.751) 5.154 5.213 ( 3.094 1.779 7.361) 8.180 5.300 ( 0.657 -3.905 0.281) 3.970 5.583 ( 4.061 -2.732 0.080) 4.895 5.701 ( -0.147 -3.552 2.215) 4.189 5.972 ( -2.330 -0.566 -2.452) 3.430 6.072 ( -2.311 3.221 -5.654) 6.906 6.115 ( -3.987 0.257 -5.741) 6.995 6.343 ( 4.343 -3.835 5.271) 7.833 6.476 ( 1.491 -0.853 2.520) 3.049 6.635 ( -1.481 -0.012 -14.797) 14.871 6.750 ( -15.143 -1.010 -1.775) 15.280 7.026 ( 2.120 -2.403 3.654) 4.860 7.128 ( -8.933 0.709 -1.156) 9.035 7.359 ( -8.686 -4.760 3.191) 10.406 7.468 ( -3.496 -2.364 -3.591) 5.541 7.621 ( 6.363 1.485 8.113) 10.417 7.739 ( -5.504 1.179 -2.603) 6.202 8.060 ( -4.969 -0.427 -3.483) 6.083 8.091 ( -5.592 -1.893 -5.247) 7.898 8.245 ( -0.572 0.900 5.332) 5.438 8.511 ( 4.972 0.262 7.905) 9.342 8.816 ( -1.215 4.467 -0.618) 4.670 8.970 ( -1.128 -4.073 4.849) 6.432 9.206 ( -0.364 2.148 -0.354) 2.207 9.297 ( -1.714 8.541 -6.186) 10.684 9.541 ( 5.780 -5.896 -7.373) 11.070 10.098 ( 2.519 1.792 7.752) 8.346 10.212 ( -2.419 -0.334 5.183) 5.729 10.377 ( -0.929 -1.007 -2.113) 2.518 10.535 ( 1.879 3.522 0.191) 3.996 10.591 ( 3.090 0.527 0.014) 3.135 10.757 ( 1.355 12.176 -7.833) 14.541 10.925 ( 8.968 3.981 2.558) 10.140 11.149 ( 8.896 6.497 -5.076) 12.130 11.350 ( 7.937 -5.245 -1.257) 9.597 12.088 ( 8.356 0.563 -2.205) 8.661 12.353 ( 7.991 -13.463 5.785) 16.690 12.531 ( 3.766 -1.687 3.600) 5.476 12.714 ( -2.139 2.413 12.752) 13.153 12.951 ( 4.467 2.330 0.551) 5.068 13.128 ( -0.679 6.568 -8.100) 10.450 13.270 ( -2.723 0.797 0.491) 2.880 13.692 ( 1.116 5.255 -11.503) 12.695 14.008 ( 3.532 -8.675 -4.624) 10.445 14.157 ( 1.566 -0.369 -7.061) 7.242 14.661 ( -5.189 0.853 0.350) 5.270 14.820 ( 7.836 0.145 6.492) 10.177 15.012 ( 3.815 0.672 -4.829) 6.190 15.072 ( -2.595 -0.214 0.627) 2.678 15.266 ( -1.621 -0.248 2.665) 3.129 15.333 ( -3.694 3.212 -0.999) 4.996 15.496 ( -9.431 5.784 0.501) 11.075 15.560 ( -9.088 -4.616 2.803) 10.572 15.760 ( -8.983 -8.905 -6.436) 14.192 16.680 ( 4.154 1.260 26.115) 26.473 16.753 ( -5.065 -2.472 -9.929) 11.417 17.616 ( -4.589 11.729 7.879) 14.856 18.186 ( 7.457 -5.825 12.155) 15.404 18.657 ( 15.127 -0.450 -15.990) 22.016 19.740 ( 2.855 -1.134 2.058) 3.698 20.140 ( 4.861 -0.973 -5.337) 7.284 20.730 ( 4.983 -0.701 3.819) 6.318 21.127 ( 3.088 -1.742 2.416) 4.291 21.358 ( 10.221 -1.283 3.430) 10.857 21.518 ( -0.963 1.137 -2.615) 3.009 21.730 ( 5.701 -6.963 -1.059) 9.061 22.039 ( 16.871 -6.497 -1.051) 18.109 22.819 ( -22.693 18.305 2.483) 29.261 23.489 ( -22.670 14.178 -11.329) 29.039 23.683 ( -15.588 10.002 6.320) 19.569 24.640 ( -8.754 -21.690 -5.027) 23.924 25.179 ( 3.413 1.468 0.996) 3.847 25.373 ( 3.881 0.947 1.227) 4.179 25.492 ( 2.085 1.024 7.094) 7.464 25.814 ( 6.767 -4.839 -1.867) 8.526 26.980 ( 1.230 0.958 0.863) 1.782 27.133 ( 2.029 -0.158 -2.533) 3.249 27.260 ( -4.039 4.230 -2.263) 6.271 27.465 ( -2.176 -6.826 -2.896) 7.727 ======================= Grid point 132 (57/78) ======================= q-point: (-0.12 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -28.403 0.000 8.729) 29.714 1.008 ( -21.343 0.000 17.981) 27.907 1.556 ( -37.156 0.000 25.623) 45.134 1.698 ( 0.709 -0.000 -6.256) 6.296 1.949 ( 1.846 -0.000 0.791) 2.008 2.180 ( -6.639 0.000 -19.775) 20.860 2.377 ( 1.932 -0.000 0.279) 1.952 2.595 ( -8.524 0.000 12.985) 15.533 3.049 ( -7.622 0.000 1.005) 7.688 3.114 ( -12.948 0.000 -5.912) 14.234 3.398 ( -5.610 0.000 4.021) 6.902 3.456 ( 14.003 -0.000 0.137) 14.003 3.674 ( -3.467 0.000 3.394) 4.852 3.983 ( 2.138 -0.000 13.176) 13.348 4.002 ( 1.115 -0.000 -1.248) 1.673 4.187 ( 2.711 -0.000 -1.570) 3.133 4.362 ( 4.923 -0.000 -1.984) 5.308 4.570 ( 6.967 -0.000 -8.750) 11.185 4.597 ( -17.318 0.000 -14.698) 22.714 4.662 ( 6.779 -0.000 -1.444) 6.932 4.957 ( 6.983 -0.000 0.242) 6.988 5.142 ( -9.756 0.000 6.561) 11.756 5.156 ( 2.979 -0.000 4.398) 5.312 5.269 ( 0.628 -0.000 -0.916) 1.111 5.304 ( 3.771 -0.000 1.461) 4.044 5.635 ( 3.645 -0.000 -2.428) 4.379 5.672 ( 0.596 -0.000 4.475) 4.514 5.949 ( 1.012 -0.000 -4.123) 4.246 6.065 ( -1.292 0.000 -3.238) 3.486 6.101 ( 5.300 -0.000 -5.106) 7.360 6.374 ( 3.193 -0.000 0.349) 3.212 6.409 ( -6.877 0.000 -3.527) 7.728 6.596 ( 2.819 -0.000 -8.972) 9.404 6.655 ( 0.691 -0.000 6.478) 6.514 6.995 ( -9.056 0.000 5.067) 10.377 7.101 ( 6.346 -0.000 3.259) 7.134 7.175 ( -12.230 0.000 1.297) 12.299 7.400 ( -3.741 0.000 -0.528) 3.778 7.641 ( -8.181 0.000 -3.259) 8.806 7.700 ( 1.203 -0.000 4.755) 4.905 7.960 ( -6.483 0.000 -3.476) 7.356 8.022 ( 0.945 -0.000 2.936) 3.084 8.265 ( 0.020 -0.000 5.368) 5.368 8.582 ( 0.169 -0.000 8.814) 8.816 8.848 ( 1.716 -0.000 -2.844) 3.322 8.905 ( -1.674 0.000 3.429) 3.816 9.246 ( 0.979 -0.000 -1.305) 1.631 9.406 ( 1.570 -0.000 -2.072) 2.599 9.501 ( 6.317 -0.000 -7.810) 10.045 10.148 ( -0.604 0.000 2.361) 2.437 10.202 ( -1.910 0.000 8.960) 9.161 10.348 ( -0.631 0.000 -5.145) 5.184 10.590 ( 1.264 -0.000 -3.147) 3.391 10.599 ( -1.473 0.000 4.538) 4.771 10.926 ( 7.237 -0.000 -14.339) 16.061 11.022 ( 3.725 -0.000 5.380) 6.543 11.354 ( 4.976 -0.000 0.713) 5.027 11.360 ( 8.132 -0.000 -3.926) 9.031 12.186 ( 5.674 -0.000 -1.295) 5.820 12.317 ( 4.091 -0.000 5.008) 6.466 12.577 ( 1.236 -0.000 6.717) 6.830 12.751 ( 0.072 -0.000 10.029) 10.029 12.994 ( -1.030 0.000 2.911) 3.087 13.183 ( 2.405 -0.000 -19.929) 20.073 13.212 ( -6.424 0.000 2.702) 6.970 13.677 ( -7.732 0.000 -25.736) 26.872 13.960 ( 3.550 -0.000 1.132) 3.726 14.155 ( 2.796 -0.000 -8.868) 9.299 14.626 ( 0.227 -0.000 1.855) 1.869 14.973 ( 8.312 -0.000 4.275) 9.347 15.033 ( -2.670 0.000 1.675) 3.152 15.050 ( 2.282 -0.000 -4.351) 4.913 15.248 ( -3.499 0.000 3.430) 4.899 15.290 ( -4.581 0.000 -2.391) 5.167 15.395 ( -6.632 0.000 1.044) 6.713 15.409 ( -10.173 0.000 -3.092) 10.632 15.555 ( -7.773 0.000 7.295) 10.660 16.608 ( -5.052 0.000 -18.884) 19.548 16.926 ( 14.166 -0.000 33.956) 36.793 17.741 ( -3.650 0.000 4.287) 5.631 18.213 ( 12.449 -0.000 29.211) 31.753 18.931 ( 24.354 -0.000 -11.436) 26.906 19.773 ( 2.101 -0.000 2.299) 3.115 20.171 ( 3.346 -0.000 -6.521) 7.329 20.805 ( 4.585 -0.000 5.292) 7.002 21.156 ( 2.208 -0.000 -0.167) 2.214 21.463 ( 1.386 -0.000 4.211) 4.433 21.491 ( -3.249 0.000 -3.030) 4.443 21.805 ( 16.917 -0.000 0.815) 16.936 22.189 ( 13.442 -0.000 -1.488) 13.524 22.699 ( -20.297 0.000 3.969) 20.682 23.053 ( -26.566 0.000 -10.778) 28.669 24.017 ( -10.924 0.000 -9.358) 14.384 24.032 ( -13.182 0.000 0.025) 13.182 25.226 ( 1.836 -0.000 1.170) 2.177 25.423 ( 1.997 -0.000 -2.023) 2.842 25.627 ( 9.309 -0.000 16.485) 18.932 25.833 ( 5.247 -0.000 -4.146) 6.687 27.022 ( 2.032 -0.000 1.976) 2.835 27.114 ( -4.051 0.000 -11.527) 12.218 27.247 ( -4.236 0.000 -5.487) 6.932 27.314 ( -5.155 0.000 2.779) 5.856 ======================= Grid point 133 (58/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -9.172 0.000 -10.771) 14.147 0.937 ( 9.172 -0.000 10.771) 14.147 1.335 ( -11.852 0.000 -11.054) 16.207 1.335 ( 11.852 -0.000 11.054) 16.207 2.314 ( -10.283 0.000 3.005) 10.713 2.314 ( 10.283 -0.000 -3.005) 10.713 2.712 ( -3.952 0.000 -22.793) 23.133 2.712 ( 3.952 -0.000 22.793) 23.133 2.799 ( -1.052 0.000 -9.760) 9.817 2.799 ( 1.052 -0.000 9.760) 9.817 3.302 ( -1.368 0.000 -20.503) 20.549 3.302 ( 1.368 -0.000 20.503) 20.549 3.774 ( 2.406 -0.000 -12.226) 12.460 3.774 ( -2.406 0.000 12.226) 12.460 4.055 ( -15.511 0.000 3.851) 15.982 4.055 ( 15.511 -0.000 -3.851) 15.982 4.346 ( 0.578 -0.000 -10.733) 10.749 4.346 ( -0.578 0.000 10.733) 10.749 4.622 ( -4.355 0.000 -5.813) 7.264 4.622 ( 4.355 -0.000 5.813) 7.264 5.015 ( -7.443 0.000 1.870) 7.674 5.015 ( 7.443 -0.000 -1.870) 7.674 5.198 ( -4.697 0.000 0.415) 4.716 5.198 ( 4.697 -0.000 -0.415) 4.716 5.471 ( 0.076 -0.000 -8.719) 8.719 5.471 ( -0.076 0.000 8.719) 8.719 5.801 ( 0.552 -0.000 -3.575) 3.617 5.801 ( -0.552 0.000 3.575) 3.617 6.136 ( -3.794 0.000 -6.336) 7.385 6.136 ( 3.794 -0.000 6.336) 7.385 6.504 ( -4.887 0.000 -0.522) 4.915 6.504 ( 4.887 -0.000 0.522) 4.915 6.627 ( -9.736 0.000 -1.831) 9.907 6.627 ( 9.736 -0.000 1.831) 9.907 6.831 ( -5.594 0.000 -4.136) 6.957 6.831 ( 5.594 -0.000 4.136) 6.957 7.306 ( -5.585 0.000 -0.585) 5.616 7.306 ( 5.585 -0.000 0.585) 5.616 7.582 ( -12.682 0.000 -3.596) 13.182 7.582 ( 12.682 -0.000 3.596) 13.182 7.978 ( -3.718 0.000 -5.194) 6.387 7.978 ( 3.718 -0.000 5.194) 6.387 8.726 ( 3.218 -0.000 -6.029) 6.834 8.726 ( -3.218 0.000 6.029) 6.834 8.968 ( -2.748 0.000 -0.634) 2.820 8.968 ( 2.748 -0.000 0.634) 2.820 9.413 ( -0.414 0.000 -6.121) 6.135 9.413 ( 0.414 -0.000 6.121) 6.135 9.929 ( -18.182 0.000 -7.827) 19.796 9.929 ( 18.182 -0.000 7.827) 19.796 10.220 ( -3.678 0.000 -0.932) 3.794 10.220 ( 3.678 -0.000 0.932) 3.794 10.457 ( -0.525 0.000 -2.739) 2.789 10.457 ( 0.525 -0.000 2.739) 2.789 10.993 ( 11.110 -0.000 -4.333) 11.925 10.993 ( -11.110 0.000 4.333) 11.925 11.416 ( 1.476 -0.000 -1.565) 2.151 11.416 ( -1.476 0.000 1.565) 2.151 12.349 ( -3.188 0.000 -1.922) 3.722 12.349 ( 3.188 -0.000 1.922) 3.722 12.751 ( 6.916 -0.000 -6.635) 9.584 12.751 ( -6.916 0.000 6.635) 9.584 12.942 ( -2.012 0.000 -1.969) 2.815 12.942 ( 2.012 -0.000 1.969) 2.815 13.219 ( 1.956 -0.000 -9.682) 9.878 13.219 ( -1.956 0.000 9.682) 9.878 14.034 ( 0.751 -0.000 -4.091) 4.159 14.034 ( -0.751 0.000 4.091) 4.159 15.013 ( -5.106 0.000 -3.923) 6.439 15.013 ( 5.106 -0.000 3.923) 6.439 15.025 ( -3.679 0.000 -3.258) 4.915 15.025 ( 3.679 -0.000 3.258) 4.915 15.170 ( 0.582 -0.000 -1.582) 1.686 15.170 ( -0.582 0.000 1.582) 1.686 15.242 ( -3.991 0.000 -0.948) 4.102 15.242 ( 3.991 -0.000 0.948) 4.102 15.869 ( 0.689 -0.000 -21.701) 21.712 15.869 ( -0.689 0.000 21.701) 21.712 17.564 ( -5.636 0.000 -5.533) 7.898 17.564 ( 5.636 -0.000 5.533) 7.898 19.288 ( 8.943 -0.000 -3.895) 9.755 19.288 ( -8.943 0.000 3.895) 9.755 19.998 ( -1.440 0.000 -7.943) 8.073 19.998 ( 1.440 -0.000 7.943) 8.073 21.063 ( -0.038 0.000 -5.894) 5.894 21.063 ( 0.038 -0.000 5.894) 5.894 21.342 ( 3.308 -0.000 -3.056) 4.504 21.342 ( -3.308 0.000 3.056) 4.504 22.263 ( -2.746 0.000 0.716) 2.837 22.263 ( 2.746 -0.000 -0.716) 2.837 22.479 ( -9.395 0.000 -0.574) 9.412 22.479 ( 9.395 -0.000 0.574) 9.412 23.747 ( -0.969 0.000 -2.556) 2.734 23.747 ( 0.969 -0.000 2.556) 2.734 25.331 ( -0.790 0.000 -3.705) 3.788 25.331 ( 0.790 -0.000 3.705) 3.788 25.869 ( 6.577 -0.000 -3.313) 7.365 25.869 ( -6.577 0.000 3.313) 7.365 27.055 ( -8.214 0.000 0.495) 8.229 27.055 ( 8.214 -0.000 -0.495) 8.229 27.206 ( -1.634 0.000 0.239) 1.651 27.206 ( 1.634 -0.000 -0.239) 1.651 ======================= Grid point 135 (59/78) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 7.711 -10.841 -7.120) 15.089 1.246 ( 8.991 -12.293 -20.275) 25.358 1.373 ( 11.843 -8.951 17.425) 22.891 1.607 ( 13.450 -7.943 5.782) 16.656 2.143 ( -12.194 0.843 -0.592) 12.237 2.393 ( 4.451 0.682 -5.216) 6.891 2.634 ( 1.614 -7.620 -29.138) 30.161 2.793 ( 3.745 0.027 -9.694) 10.393 2.806 ( 5.623 -0.076 12.358) 13.578 2.892 ( 3.429 -2.671 6.826) 8.092 3.326 ( 6.192 -1.449 -3.725) 7.370 3.519 ( 8.099 -3.908 30.055) 31.371 3.730 ( -4.013 2.380 -0.628) 4.708 3.748 ( -10.607 1.297 -2.157) 10.902 3.898 ( -1.784 -4.631 3.895) 6.308 4.151 ( 0.735 0.258 -0.870) 1.167 4.319 ( 1.079 1.855 -3.588) 4.181 4.379 ( 1.853 0.830 5.648) 6.002 4.533 ( -4.570 1.864 -6.431) 8.107 4.695 ( 2.307 -1.408 1.641) 3.162 4.964 ( -2.663 -0.480 3.495) 4.420 5.082 ( -3.801 7.470 0.670) 8.408 5.141 ( 9.944 0.324 -0.396) 9.957 5.229 ( 5.599 4.175 1.310) 7.106 5.465 ( -1.121 -3.223 -8.549) 9.205 5.532 ( 0.553 -4.724 7.570) 8.940 5.781 ( -2.360 0.044 -0.148) 2.365 5.802 ( -0.468 -0.950 2.357) 2.584 6.081 ( -6.070 -2.850 -3.373) 7.506 6.203 ( -4.627 -3.722 1.530) 6.132 6.357 ( -3.342 0.886 -1.506) 3.771 6.483 ( -7.917 -6.051 -4.383) 10.886 6.576 ( 3.512 7.135 2.239) 8.262 6.777 ( -2.933 -5.290 -2.470) 6.534 6.915 ( 15.986 -2.633 0.889) 16.226 6.981 ( 10.079 -4.615 3.188) 11.534 7.282 ( 1.229 -0.927 1.265) 1.993 7.371 ( -8.667 0.149 -6.025) 10.556 7.431 ( 5.363 -0.256 2.068) 5.754 7.736 ( 8.837 0.523 0.538) 8.869 7.892 ( -3.683 3.138 -2.388) 5.395 8.035 ( 2.925 0.340 4.089) 5.039 8.695 ( -6.070 -0.831 1.804) 6.386 8.750 ( 1.857 1.323 -7.776) 8.103 8.873 ( -4.937 1.740 -0.102) 5.236 8.972 ( 0.987 -0.346 -3.525) 3.677 9.308 ( -5.453 4.171 -5.123) 8.566 9.379 ( -4.032 1.650 -0.373) 4.373 9.654 ( -14.055 -1.735 -7.299) 15.932 10.090 ( 5.778 -0.287 2.143) 6.169 10.171 ( 2.434 12.141 12.451) 17.560 10.185 ( 7.034 9.613 -1.039) 11.957 10.408 ( -1.155 3.077 -0.442) 3.317 10.475 ( 2.456 0.936 2.054) 3.336 10.898 ( -11.981 -4.050 3.249) 13.058 11.157 ( 5.505 -2.933 -6.268) 8.842 11.306 ( -7.280 6.963 1.394) 10.170 11.413 ( 0.520 1.077 0.709) 1.390 12.310 ( -5.839 -2.056 -2.959) 6.862 12.441 ( 1.822 -5.005 5.281) 7.501 12.703 ( -3.655 -0.250 5.021) 6.215 12.818 ( -3.017 -4.670 -4.127) 6.924 12.943 ( 8.679 3.202 -7.463) 11.886 12.990 ( 3.740 -0.616 -1.094) 3.945 13.222 ( 2.115 1.564 -0.107) 2.633 13.255 ( 2.665 -0.275 6.437) 6.972 14.003 ( -1.202 1.128 -3.242) 3.637 14.038 ( -0.256 -1.607 4.433) 4.722 14.844 ( -7.068 2.758 -7.187) 10.451 15.030 ( -2.221 -0.248 -0.444) 2.278 15.033 ( 0.614 -1.415 -0.003) 1.543 15.100 ( 6.010 5.345 6.320) 10.229 15.156 ( -4.754 -3.247 -3.254) 6.613 15.198 ( 1.718 -1.297 -0.138) 2.157 15.279 ( 6.118 -3.697 1.940) 7.407 15.371 ( 6.122 -5.289 0.876) 8.137 15.850 ( 3.733 -2.012 -19.541) 19.996 15.975 ( 3.254 -2.780 22.721) 23.120 17.454 ( -5.821 1.672 -4.526) 7.561 17.627 ( 5.825 4.255 1.371) 7.343 18.911 ( -26.546 14.466 10.742) 32.083 19.071 ( -12.906 13.535 -12.331) 22.401 19.925 ( -2.202 0.760 -6.316) 6.732 20.003 ( -1.048 1.238 6.470) 6.670 21.043 ( -3.067 -1.666 -3.750) 5.123 21.068 ( -0.893 0.783 4.376) 4.535 21.361 ( 3.258 0.251 2.606) 4.180 21.414 ( 8.649 2.408 -1.342) 9.078 22.248 ( -8.637 -5.628 0.552) 10.324 22.307 ( -4.738 5.590 -2.639) 7.789 22.527 ( -5.665 -14.809 2.263) 16.017 22.573 ( 21.121 0.138 -3.304) 21.378 23.577 ( -5.053 10.014 -1.083) 11.269 24.106 ( 22.723 -16.074 0.604) 27.840 25.296 ( -1.988 0.972 -2.212) 3.129 25.343 ( 0.100 0.645 3.180) 3.246 25.727 ( -6.752 5.895 2.929) 9.430 25.896 ( 3.153 3.342 0.095) 4.596 26.964 ( -3.966 -1.317 -2.369) 4.804 27.104 ( 1.169 0.342 0.299) 1.254 27.210 ( -1.745 -2.302 0.020) 2.889 27.352 ( 7.629 -6.563 -2.841) 10.457 ======================= Grid point 136 (60/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 10.816 -10.170 -8.935) 17.328 1.543 ( -2.839 -0.747 9.439) 9.885 1.558 ( 11.914 -12.594 -2.365) 17.497 1.916 ( 6.705 -4.172 -0.876) 7.945 2.113 ( 4.309 -10.612 -0.477) 11.463 2.434 ( 0.517 -3.661 -4.935) 6.166 2.751 ( 0.459 -7.331 -24.287) 25.373 2.872 ( 13.245 -4.767 -6.734) 15.605 2.976 ( 5.330 -0.873 8.523) 10.091 3.019 ( 11.943 -4.478 7.656) 14.877 3.446 ( 6.610 0.219 0.074) 6.614 3.458 ( -15.466 0.954 12.147) 19.689 3.625 ( -1.653 3.159 -8.667) 9.372 3.791 ( 7.456 1.457 4.858) 9.017 3.949 ( -7.435 0.380 7.493) 10.563 4.163 ( 2.244 -1.905 -1.929) 3.519 4.326 ( 2.581 -0.020 4.574) 5.252 4.376 ( -4.232 4.296 1.333) 6.176 4.435 ( 1.780 -2.276 1.696) 3.350 4.738 ( -1.649 -4.007 0.219) 4.338 4.927 ( -3.172 3.458 2.312) 5.231 4.936 ( -0.325 4.934 1.100) 5.066 5.207 ( 3.601 2.456 -0.229) 4.365 5.312 ( 8.799 0.370 2.138) 9.062 5.458 ( -3.231 -3.407 -9.108) 10.247 5.642 ( 0.373 -3.732 4.522) 5.875 5.755 ( -2.559 -2.453 -0.796) 3.634 5.825 ( 2.249 0.704 1.850) 2.996 6.038 ( -5.467 -2.978 0.921) 6.293 6.134 ( -6.562 -2.594 -4.384) 8.307 6.373 ( -2.127 -2.284 3.766) 4.891 6.483 ( -2.134 -3.699 2.544) 4.971 6.552 ( 3.643 1.704 -2.350) 4.658 6.789 ( -2.226 -4.459 -5.817) 7.660 7.111 ( 7.941 -1.857 -4.066) 9.113 7.211 ( -8.393 -1.040 -3.048) 8.990 7.258 ( 13.329 -5.835 4.036) 15.100 7.370 ( 5.632 -0.714 3.860) 6.865 7.576 ( 8.333 -1.629 0.897) 8.538 7.779 ( 0.127 2.297 0.953) 2.490 7.820 ( 2.956 2.241 -1.593) 4.037 8.082 ( 2.547 -0.939 2.048) 3.401 8.551 ( -7.537 1.916 -8.907) 11.824 8.710 ( 0.690 1.642 -3.535) 3.958 8.840 ( -4.956 -2.191 2.124) 5.820 9.055 ( 7.086 -2.025 -2.375) 7.743 9.171 ( -3.146 3.900 -7.347) 8.893 9.292 ( -4.343 -2.242 -5.173) 7.117 9.474 ( -10.669 5.035 4.110) 12.493 10.050 ( 1.270 7.771 13.801) 15.890 10.178 ( 8.353 3.637 0.831) 9.149 10.198 ( 4.568 -0.225 0.171) 4.576 10.359 ( -1.405 1.505 3.700) 4.234 10.483 ( 0.501 1.759 0.300) 1.853 10.741 ( -12.095 4.661 -1.900) 13.100 11.072 ( -8.475 6.332 2.218) 10.809 11.117 ( -5.031 5.921 -6.670) 10.240 11.405 ( 0.280 1.259 0.629) 1.435 12.201 ( -7.951 2.763 -1.732) 8.594 12.516 ( 0.655 1.503 7.660) 7.833 12.690 ( -2.024 -2.849 -0.047) 3.495 12.788 ( -4.917 -1.773 -1.326) 5.392 13.004 ( 7.157 1.278 -5.272) 8.980 13.034 ( 1.721 -1.081 -5.998) 6.333 13.227 ( 1.886 1.786 0.981) 2.777 13.315 ( 1.243 -0.292 10.859) 10.934 13.988 ( 1.643 -0.612 -2.764) 3.273 14.121 ( 2.054 -4.479 3.148) 5.847 14.725 ( -1.396 2.308 -5.850) 6.442 14.966 ( -5.686 0.945 1.884) 6.064 15.061 ( 1.062 -0.380 -0.322) 1.174 15.097 ( -1.433 -0.217 -0.284) 1.477 15.136 ( 0.161 1.544 2.035) 2.560 15.231 ( 1.084 -0.883 0.552) 1.503 15.477 ( 7.248 -5.829 2.980) 9.767 15.510 ( 4.533 -4.188 -3.407) 7.050 15.895 ( 4.406 -2.744 -15.268) 16.126 16.191 ( 7.819 -6.537 21.277) 23.592 17.339 ( -4.971 1.149 -5.641) 7.606 17.579 ( 4.836 11.042 -8.882) 14.973 18.382 ( -24.746 9.964 18.180) 32.282 18.727 ( -7.904 5.013 -15.296) 17.932 19.887 ( -0.929 -0.207 -3.852) 3.968 19.989 ( -1.047 1.084 5.041) 5.262 20.994 ( -4.252 0.074 -1.449) 4.493 21.055 ( -0.372 0.802 1.537) 1.773 21.413 ( 3.920 0.149 0.422) 3.946 21.467 ( 6.113 3.912 -0.018) 7.257 22.161 ( -13.757 -6.836 -2.219) 15.521 22.235 ( 2.009 4.509 -0.472) 4.959 22.546 ( -13.721 -10.490 1.291) 17.320 22.661 ( 8.068 19.641 -1.306) 21.274 23.669 ( 16.263 -13.067 -0.620) 20.871 24.612 ( 17.451 -10.945 0.793) 20.614 25.232 ( -3.306 2.058 -0.761) 3.968 25.334 ( -0.235 1.426 1.566) 2.131 25.586 ( -3.680 3.569 0.585) 5.160 25.878 ( 1.437 3.073 1.091) 3.563 26.956 ( 0.114 -0.902 -0.832) 1.232 27.109 ( -0.779 -0.426 1.477) 1.723 27.221 ( -1.984 -2.488 -0.048) 3.183 27.511 ( 4.469 -4.381 -2.470) 6.728 ======================= Grid point 137 (61/78) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -7.310 -3.063 -0.545) 7.944 1.562 ( 5.025 -2.761 1.281) 5.875 1.855 ( 13.955 -5.999 -7.881) 17.113 2.128 ( 10.467 -5.365 7.062) 13.719 2.323 ( -2.471 -10.255 6.721) 12.508 2.486 ( 3.203 -5.510 -2.647) 6.901 2.683 ( -3.944 2.390 -16.258) 16.899 3.053 ( 6.715 0.294 3.220) 7.453 3.107 ( -0.608 0.890 -7.837) 7.911 3.222 ( 3.531 -4.344 -0.566) 5.626 3.413 ( 5.608 -7.428 13.067) 16.043 3.461 ( 3.351 7.340 1.132) 8.148 3.615 ( 1.686 -1.685 -2.333) 3.335 3.713 ( -7.613 4.787 1.710) 9.155 3.866 ( -2.045 0.666 -2.315) 3.160 4.149 ( -2.435 1.018 -5.310) 5.930 4.189 ( -4.318 6.185 -0.021) 7.543 4.475 ( 6.087 -2.759 6.845) 9.567 4.596 ( 5.119 -5.372 4.331) 8.592 4.773 ( -2.933 -3.240 4.013) 5.933 4.862 ( 2.306 5.346 0.663) 5.860 4.883 ( -1.019 0.503 0.628) 1.298 5.209 ( 0.796 1.257 -0.352) 1.529 5.371 ( -3.468 -5.511 -5.918) 8.799 5.460 ( 2.182 -0.073 -2.564) 3.367 5.636 ( 0.352 4.567 0.740) 4.639 5.797 ( -3.375 -7.129 0.108) 7.888 5.866 ( 5.687 2.257 1.021) 6.203 6.004 ( -5.364 -2.197 0.906) 5.867 6.110 ( -3.111 -3.236 -1.407) 4.704 6.393 ( 0.485 -2.187 3.418) 4.087 6.521 ( 3.816 2.137 1.926) 4.779 6.572 ( -1.850 -1.291 -1.578) 2.753 6.884 ( 5.321 -8.008 -2.495) 9.933 7.146 ( -2.701 -2.092 -0.260) 3.426 7.184 ( 0.162 -1.606 -3.379) 3.745 7.433 ( 1.946 0.293 2.549) 3.220 7.504 ( 8.497 -3.018 1.555) 9.150 7.582 ( -0.789 4.845 0.929) 4.996 7.764 ( -1.718 1.746 -5.707) 6.210 7.933 ( 10.164 -5.202 5.972) 12.885 8.147 ( 2.349 -1.903 0.022) 3.024 8.420 ( -3.377 3.004 -4.644) 6.481 8.693 ( 0.800 0.902 -2.530) 2.802 8.807 ( -4.104 -0.951 1.494) 4.470 9.058 ( -1.577 0.213 -8.533) 8.680 9.070 ( -3.330 1.837 -3.907) 5.453 9.264 ( -5.986 9.330 11.651) 16.082 9.415 ( 7.617 -10.274 -5.547) 13.941 10.009 ( -1.783 2.203 5.616) 6.291 10.191 ( -1.857 6.251 -2.809) 7.100 10.299 ( 6.221 -0.465 2.143) 6.596 10.358 ( 0.940 2.873 5.727) 6.475 10.409 ( -4.686 -0.558 8.117) 9.389 10.526 ( -2.116 2.462 -4.416) 5.481 10.876 ( -7.235 9.430 -11.111) 16.270 10.920 ( -6.312 2.275 4.336) 7.988 11.384 ( -0.394 1.381 -0.000) 1.437 12.041 ( -5.722 3.644 -0.455) 6.798 12.482 ( -0.947 3.114 2.623) 4.180 12.722 ( 0.119 -2.075 0.873) 2.255 12.760 ( -1.601 -0.857 -1.060) 2.103 13.037 ( -0.425 -0.525 -2.511) 2.601 13.063 ( 3.846 -0.512 -3.449) 5.191 13.225 ( 0.582 1.108 1.416) 1.890 13.364 ( 0.693 -0.584 6.032) 6.100 14.039 ( 3.732 -1.171 -0.974) 4.031 14.190 ( -1.528 -2.560 1.787) 3.475 14.706 ( 4.610 0.948 -5.383) 7.150 14.871 ( -6.795 1.188 3.480) 7.726 15.068 ( 0.221 -0.013 -1.553) 1.568 15.086 ( -2.657 -2.414 -0.834) 3.685 15.121 ( 1.628 2.917 2.481) 4.161 15.258 ( 0.444 -0.777 1.263) 1.548 15.559 ( 1.011 -1.828 -3.541) 4.112 15.679 ( 6.306 -4.286 4.273) 8.741 15.919 ( 0.713 -0.527 -10.607) 10.644 16.489 ( 8.834 -8.179 17.178) 20.977 17.250 ( -2.965 -0.331 -17.609) 17.860 17.390 ( -0.392 13.153 -0.467) 13.168 18.101 ( -11.932 2.100 15.140) 19.391 18.589 ( -2.296 0.338 -9.473) 9.753 19.875 ( -0.437 -0.522 -2.038) 2.149 19.975 ( -0.654 0.805 3.121) 3.289 20.931 ( -2.948 0.659 -0.999) 3.182 21.046 ( -0.011 0.422 0.652) 0.777 21.461 ( 4.578 1.271 -4.248) 6.374 21.474 ( 1.228 1.547 3.379) 3.914 22.094 ( -6.777 -3.724 -1.331) 7.847 22.169 ( -4.252 2.289 0.238) 4.835 22.405 ( -7.808 2.572 1.396) 8.338 22.579 ( 5.797 5.579 -0.860) 8.091 24.126 ( 15.162 -13.719 -0.391) 20.452 24.874 ( 5.417 -1.269 0.839) 5.626 25.167 ( -1.362 -0.480 -0.776) 1.639 25.299 ( -0.990 2.593 0.382) 2.802 25.520 ( -1.486 1.002 0.322) 1.821 25.857 ( 0.612 1.862 0.669) 2.071 26.973 ( 0.930 -0.314 -0.089) 0.985 27.106 ( -1.109 -0.395 1.053) 1.579 27.228 ( -1.141 -1.438 -0.083) 1.837 27.595 ( 1.835 -2.003 -1.098) 2.930 ======================= Grid point 138 (62/78) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -0.000 0.000 0.000) 0.000 1.626 ( -0.000 0.000 0.000) 0.000 2.023 ( -0.000 0.000 0.000) 0.000 2.235 ( -0.000 0.000 0.000) 0.000 2.425 ( -0.000 -0.000 0.000) 0.000 2.541 ( -0.000 0.000 0.000) 0.000 2.655 ( -0.000 0.000 0.000) 0.000 2.947 ( -0.000 0.000 0.000) 0.000 3.121 ( -0.000 0.000 0.000) 0.000 3.345 ( -0.000 0.000 0.000) 0.000 3.393 ( -0.000 0.000 0.000) 0.000 3.510 ( -0.000 0.000 0.000) 0.000 3.616 ( -0.000 0.000 -0.000) 0.000 3.759 ( -0.000 0.000 -0.000) 0.000 3.765 ( 0.000 -0.000 0.000) 0.000 4.098 ( -0.000 0.000 0.000) 0.000 4.120 ( -0.000 0.000 0.000) 0.000 4.560 ( -0.000 0.000 0.000) 0.000 4.673 ( -0.000 0.000 0.000) 0.000 4.768 ( -0.000 -0.000 0.000) 0.000 4.861 ( -0.000 0.000 -0.000) 0.000 4.869 ( -0.000 0.000 0.000) 0.000 5.199 ( -0.000 0.000 0.000) 0.000 5.396 ( -0.000 0.000 0.000) 0.000 5.470 ( -0.000 0.000 0.000) 0.000 5.585 ( -0.000 -0.000 -0.000) 0.000 5.834 ( -0.000 0.000 0.000) 0.000 5.889 ( -0.000 -0.000 0.000) 0.000 5.983 ( 0.000 0.000 -0.000) 0.000 6.112 ( -0.000 0.000 0.000) 0.000 6.461 ( -0.000 0.000 -0.000) 0.000 6.513 ( -0.000 -0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 7.030 ( -0.000 0.000 0.000) 0.000 7.166 ( 0.000 0.000 -0.000) 0.000 7.184 ( -0.000 -0.000 0.000) 0.000 7.402 ( -0.000 0.000 0.000) 0.000 7.510 ( -0.000 0.000 0.000) 0.000 7.616 ( -0.000 0.000 0.000) 0.000 7.720 ( -0.000 0.000 -0.000) 0.000 8.092 ( -0.000 0.000 0.000) 0.000 8.173 ( -0.000 0.000 -0.000) 0.000 8.357 ( -0.000 0.000 0.000) 0.000 8.687 ( -0.000 0.000 0.000) 0.000 8.779 ( 0.000 0.000 0.000) 0.000 9.016 ( -0.000 -0.000 -0.000) 0.000 9.049 ( -0.000 -0.000 0.000) 0.000 9.150 ( -0.000 0.000 0.000) 0.000 9.602 ( -0.000 0.000 0.000) 0.000 9.992 ( -0.000 0.000 -0.000) 0.000 10.004 ( 0.000 -0.000 0.000) 0.000 10.318 ( -0.000 0.000 0.000) 0.000 10.357 ( -0.000 0.000 0.000) 0.000 10.476 ( -0.000 0.000 0.000) 0.000 10.599 ( -0.000 0.000 -0.000) 0.000 10.618 ( 0.000 -0.000 0.000) 0.000 10.862 ( -0.000 0.000 0.000) 0.000 11.367 ( -0.000 0.000 0.000) 0.000 11.970 ( -0.000 0.000 0.000) 0.000 12.452 ( -0.000 0.000 0.000) 0.000 12.745 ( -0.000 0.000 0.000) 0.000 12.752 ( -0.000 0.000 -0.000) 0.000 13.033 ( -0.000 0.000 0.000) 0.000 13.091 ( -0.000 0.000 0.000) 0.000 13.222 ( -0.000 0.000 0.000) 0.000 13.383 ( -0.000 0.000 -0.000) 0.000 14.083 ( -0.000 0.000 0.000) 0.000 14.190 ( 0.000 0.000 0.000) 0.000 14.765 ( -0.000 0.000 0.000) 0.000 14.781 ( 0.000 0.000 -0.000) 0.000 15.067 ( -0.000 0.000 0.000) 0.000 15.085 ( -0.000 -0.000 -0.000) 0.000 15.114 ( 0.000 0.000 0.000) 0.000 15.270 ( -0.000 0.000 0.000) 0.000 15.572 ( -0.000 0.000 0.000) 0.000 15.785 ( -0.000 0.000 -0.000) 0.000 15.886 ( -0.000 0.000 0.000) 0.000 16.684 ( -0.000 0.000 -0.000) 0.000 17.150 ( -0.000 0.000 0.000) 0.000 17.296 ( -0.000 0.000 0.000) 0.000 18.035 ( -0.000 0.000 0.000) 0.000 18.560 ( -0.000 0.000 0.000) 0.000 19.873 ( -0.000 0.000 0.000) 0.000 19.969 ( -0.000 0.000 0.000) 0.000 20.902 ( -0.000 -0.000 -0.000) 0.000 21.044 ( -0.000 0.000 0.000) 0.000 21.461 ( -0.000 0.000 0.000) 0.000 21.491 ( -0.000 0.000 -0.000) 0.000 22.074 ( -0.000 0.000 0.000) 0.000 22.106 ( -0.000 -0.000 0.000) 0.000 22.344 ( -0.000 -0.000 0.000) 0.000 22.577 ( -0.000 0.000 0.000) 0.000 24.368 ( -0.000 0.000 0.000) 0.000 24.868 ( -0.000 -0.000 0.000) 0.000 25.207 ( -0.000 0.000 0.000) 0.000 25.246 ( 0.000 -0.000 -0.000) 0.000 25.505 ( -0.000 0.000 0.000) 0.000 25.848 ( -0.000 0.000 0.000) 0.000 26.983 ( -0.000 0.000 0.000) 0.000 27.102 ( -0.000 0.000 0.000) 0.000 27.231 ( -0.000 0.000 0.000) 0.000 27.620 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 144 (63/78) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 25.774 -0.000 -9.993) 27.643 1.260 ( 14.069 -0.000 -9.219) 16.820 1.666 ( 4.963 -0.000 -1.535) 5.195 1.675 ( 25.588 -0.000 17.223) 30.844 1.976 ( -8.592 0.000 -2.156) 8.858 2.415 ( -0.616 0.000 -4.262) 4.306 2.475 ( 6.310 -0.000 -37.028) 37.561 2.837 ( 4.475 -0.000 -7.810) 9.001 2.944 ( 12.459 -0.000 7.250) 14.415 2.990 ( 7.846 -0.000 6.330) 10.081 3.437 ( 10.874 -0.000 -1.840) 11.029 3.457 ( -16.679 0.000 7.298) 18.206 3.792 ( 1.763 -0.000 -7.241) 7.453 3.798 ( 12.417 -0.000 20.656) 24.100 3.879 ( 0.693 -0.000 16.533) 16.547 4.142 ( -1.758 0.000 2.652) 3.182 4.327 ( -0.082 0.000 2.736) 2.737 4.377 ( -3.721 0.000 0.417) 3.744 4.503 ( 0.523 -0.000 -8.676) 8.692 4.653 ( -6.015 0.000 1.574) 6.217 4.928 ( -4.338 0.000 2.698) 5.108 5.110 ( -3.086 0.000 4.664) 5.592 5.282 ( 6.642 -0.000 1.047) 6.724 5.295 ( 2.113 -0.000 -4.886) 5.323 5.381 ( -5.525 0.000 -7.426) 9.256 5.526 ( 2.135 -0.000 4.997) 5.434 5.760 ( 0.250 -0.000 -3.417) 3.426 5.768 ( -2.890 0.000 11.414) 11.775 6.030 ( -0.047 0.000 -1.215) 1.216 6.083 ( -8.149 0.000 -2.573) 8.546 6.338 ( -1.589 0.000 -0.481) 1.660 6.372 ( 4.463 -0.000 0.041) 4.463 6.632 ( -2.018 0.000 -6.262) 6.579 6.728 ( 0.461 -0.000 -0.584) 0.744 7.104 ( 13.268 -0.000 -3.537) 13.732 7.125 ( 14.186 -0.000 4.789) 14.973 7.200 ( -10.644 0.000 -5.312) 11.896 7.351 ( 8.251 -0.000 2.585) 8.646 7.564 ( 9.898 -0.000 2.410) 10.188 7.801 ( 0.645 -0.000 -3.175) 3.240 7.907 ( 1.919 -0.000 0.992) 2.160 8.035 ( -3.561 0.000 1.474) 3.854 8.570 ( -7.379 0.000 -10.762) 13.049 8.780 ( -8.765 0.000 -1.490) 8.891 8.807 ( 5.748 -0.000 -5.559) 7.996 8.964 ( 4.175 -0.000 -2.856) 5.058 9.275 ( -2.833 0.000 -6.649) 7.227 9.316 ( -8.385 0.000 8.327) 11.817 9.440 ( -8.256 0.000 -4.453) 9.380 10.138 ( 2.666 -0.000 3.192) 4.159 10.196 ( -2.289 0.000 7.385) 7.731 10.398 ( 1.197 -0.000 -8.046) 8.134 10.513 ( 0.559 -0.000 3.227) 3.275 10.521 ( 0.385 -0.000 14.325) 14.330 10.745 ( -4.705 0.000 -2.641) 5.395 11.155 ( 1.807 -0.000 -6.496) 6.742 11.286 ( -8.636 0.000 2.248) 8.924 11.354 ( -5.567 0.000 0.384) 5.581 12.190 ( -7.474 0.000 -1.364) 7.597 12.385 ( -1.469 0.000 -0.107) 1.473 12.713 ( -5.030 0.000 -5.482) 7.440 12.732 ( -1.572 0.000 15.125) 15.207 13.028 ( 2.408 -0.000 2.007) 3.135 13.051 ( 8.605 -0.000 -16.089) 18.246 13.296 ( 4.816 -0.000 -4.561) 6.634 13.311 ( 1.794 -0.000 13.255) 13.376 13.986 ( -1.744 0.000 -2.129) 2.752 13.993 ( -2.772 0.000 5.060) 5.769 14.765 ( -2.006 0.000 -8.357) 8.594 14.976 ( -5.289 0.000 1.735) 5.566 15.019 ( -4.210 0.000 -1.086) 4.347 15.090 ( 2.678 -0.000 -4.012) 4.824 15.235 ( 3.166 -0.000 2.803) 4.228 15.268 ( 6.977 -0.000 1.162) 7.073 15.357 ( 7.998 -0.000 3.941) 8.916 15.408 ( 6.976 -0.000 -0.402) 6.987 15.845 ( 6.207 -0.000 -17.984) 19.025 16.087 ( 5.618 -0.000 24.226) 24.869 17.351 ( -7.010 0.000 -10.225) 12.397 17.757 ( 6.193 -0.000 5.060) 7.997 18.644 ( -31.353 0.000 13.216) 34.025 18.820 ( -23.349 0.000 -19.821) 30.628 19.875 ( -2.233 0.000 -6.970) 7.318 20.001 ( -2.912 0.000 7.895) 8.415 20.938 ( -6.100 0.000 -5.766) 8.394 21.085 ( -0.632 0.000 5.884) 5.918 21.415 ( 2.560 -0.000 3.463) 4.307 21.525 ( 4.579 -0.000 -1.742) 4.899 21.920 ( -21.465 0.000 -7.718) 22.810 22.129 ( -14.027 0.000 3.755) 14.521 22.806 ( 21.710 -0.000 -5.729) 22.453 22.810 ( 27.647 -0.000 8.985) 29.070 23.943 ( 11.419 -0.000 -0.652) 11.437 24.035 ( 14.786 -0.000 -0.749) 14.805 25.265 ( -2.505 0.000 -2.159) 3.307 25.348 ( -1.444 0.000 4.070) 4.318 25.713 ( -6.121 0.000 6.684) 9.063 25.852 ( -6.712 0.000 -5.025) 8.385 26.955 ( 3.454 -0.000 1.748) 3.871 27.075 ( -2.209 0.000 -2.770) 3.542 27.220 ( 0.813 -0.000 0.089) 0.818 27.389 ( 7.279 -0.000 -4.182) 8.395 ======================= Grid point 145 (64/78) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 2.390 0.289 -4.179) 4.823 1.536 ( 4.366 -5.599 -8.742) 11.262 1.707 ( 15.771 0.719 2.681) 16.014 1.985 ( 13.189 -3.247 3.045) 13.919 2.102 ( 12.610 -2.657 6.591) 14.474 2.373 ( 2.033 -0.373 -11.337) 11.524 2.593 ( 6.777 -6.791 -24.835) 26.623 2.897 ( 5.719 -5.709 -5.434) 9.738 3.099 ( 8.812 1.968 4.344) 10.019 3.183 ( 11.531 -4.142 9.427) 15.459 3.329 ( -2.038 2.010 1.430) 3.199 3.585 ( 8.146 -0.570 -2.480) 8.534 3.719 ( 1.618 6.371 -0.156) 6.575 3.878 ( -4.990 4.906 7.392) 10.179 3.931 ( 0.393 2.617 6.893) 7.383 4.155 ( 0.627 -0.379 -3.771) 3.842 4.321 ( -2.286 -0.012 0.537) 2.349 4.400 ( 1.732 -4.907 2.034) 5.587 4.483 ( 3.636 3.690 10.183) 11.425 4.624 ( -2.452 -5.305 5.188) 7.815 4.864 ( -5.638 -0.719 -0.145) 5.686 5.042 ( -1.400 5.067 4.810) 7.125 5.246 ( -4.796 0.326 -8.161) 9.471 5.267 ( -7.110 -1.167 -0.654) 7.235 5.375 ( -0.188 -5.227 -1.740) 5.512 5.581 ( -0.274 -2.213 1.154) 2.511 5.735 ( 1.681 1.904 1.653) 3.031 5.842 ( -0.247 -3.400 6.430) 7.278 6.009 ( 1.277 -0.963 -3.974) 4.284 6.038 ( 1.972 0.137 -0.009) 1.977 6.337 ( -1.131 -1.212 2.391) 2.910 6.506 ( 7.765 -1.233 0.662) 7.890 6.597 ( 1.620 1.049 -6.651) 6.925 6.746 ( 5.542 -1.031 -0.918) 5.711 7.077 ( -5.698 -1.175 -2.753) 6.436 7.199 ( 6.540 2.167 -5.661) 8.917 7.354 ( 9.101 -3.898 3.265) 10.425 7.491 ( 8.663 -0.396 -0.226) 8.675 7.675 ( 4.948 1.969 0.699) 5.371 7.771 ( -1.680 -1.312 -4.253) 4.757 7.901 ( 2.086 3.541 4.142) 5.835 8.043 ( 0.064 -4.734 1.026) 4.845 8.477 ( -1.246 0.748 -9.873) 9.980 8.676 ( -7.719 -3.022 -3.597) 9.036 8.818 ( 5.310 5.818 -2.949) 8.411 9.109 ( 8.458 -5.861 -3.954) 11.024 9.177 ( -4.060 3.852 -1.183) 5.720 9.211 ( -4.944 2.129 0.174) 5.385 9.385 ( -5.073 -1.857 5.677) 7.837 10.140 ( -2.468 4.038 8.028) 9.320 10.214 ( 1.562 -1.823 3.509) 4.252 10.361 ( -0.888 0.966 -3.760) 3.983 10.436 ( -3.266 7.782 13.970) 16.321 10.508 ( -0.043 1.607 0.709) 1.757 10.679 ( -1.848 4.184 -5.120) 6.866 11.054 ( -10.559 8.071 1.895) 13.425 11.103 ( -4.421 4.259 -8.091) 10.156 11.327 ( -7.073 -5.196 0.547) 8.793 12.077 ( -9.388 -0.183 -1.073) 9.451 12.426 ( -4.730 -9.628 0.454) 10.737 12.629 ( -5.938 -0.559 -3.487) 6.909 12.707 ( -4.652 2.194 10.876) 12.031 13.050 ( 1.764 1.419 -0.471) 2.312 13.109 ( 6.926 0.025 -12.612) 14.388 13.294 ( 1.526 3.347 -1.467) 3.960 13.367 ( -0.043 0.432 13.057) 13.064 13.968 ( -0.292 -2.298 0.090) 2.319 14.040 ( -1.730 -5.748 2.402) 6.466 14.756 ( 5.069 1.560 -6.632) 8.491 14.897 ( -6.802 0.564 3.851) 7.837 14.945 ( -6.275 -2.330 -4.655) 8.153 15.118 ( 3.728 1.473 -3.084) 5.057 15.270 ( 3.728 2.122 2.252) 4.845 15.315 ( 5.122 4.087 1.652) 6.758 15.496 ( 5.375 -1.973 0.463) 5.745 15.556 ( 10.254 -3.297 1.591) 10.888 15.891 ( 5.868 -0.876 -14.776) 15.923 16.284 ( 7.400 -4.216 22.981) 24.509 17.218 ( -7.276 -1.122 -14.402) 16.175 17.787 ( 5.414 9.237 -4.146) 11.481 18.219 ( -24.623 5.818 20.426) 32.517 18.550 ( -9.481 -3.280 -17.137) 19.858 19.829 ( -2.909 -1.446 -5.786) 6.635 19.985 ( -3.084 -0.258 7.309) 7.937 20.846 ( -8.519 -3.186 -5.281) 10.517 21.088 ( -0.265 0.863 5.158) 5.236 21.453 ( 0.953 -0.281 3.190) 3.342 21.497 ( -7.874 -0.852 -6.660) 10.348 21.738 ( -10.157 -7.427 -2.547) 12.838 21.984 ( -16.319 -5.921 3.453) 17.700 22.858 ( 22.772 20.148 0.032) 30.405 23.296 ( 25.355 10.423 4.022) 27.708 23.786 ( 14.634 8.047 -2.865) 16.944 24.571 ( 11.544 -20.844 0.626) 23.835 25.207 ( -3.808 1.711 -1.105) 4.318 25.332 ( -2.494 -0.050 2.873) 3.804 25.595 ( -4.384 4.418 1.064) 6.314 25.803 ( -7.242 -5.913 -1.789) 9.519 26.988 ( 1.631 2.129 0.906) 2.831 27.063 ( -1.062 -2.167 0.758) 2.529 27.221 ( 1.260 1.059 0.612) 1.756 27.492 ( 3.735 -3.935 -3.446) 6.427 ======================= Grid point 146 (65/78) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -1.059 -1.798 -1.780) 2.743 1.592 ( 1.268 -3.628 -2.003) 4.334 2.023 ( 12.093 -10.847 -3.311) 16.579 2.204 ( 6.898 6.114 4.751) 10.370 2.258 ( 9.037 -0.977 1.260) 9.176 2.437 ( 5.685 -7.219 1.276) 9.276 2.602 ( 2.845 -0.868 -19.221) 19.449 3.058 ( 0.338 -3.347 -5.001) 6.027 3.182 ( 5.631 3.405 1.942) 6.862 3.243 ( -1.268 3.796 -0.250) 4.010 3.456 ( 7.973 -3.305 5.755) 10.374 3.566 ( -0.296 1.995 -5.454) 5.815 3.717 ( 1.388 4.316 1.129) 4.672 3.741 ( 4.454 7.297 15.006) 17.270 3.890 ( -0.164 3.714 -3.335) 4.994 4.121 ( -0.179 1.006 -5.078) 5.180 4.216 ( -3.549 5.036 -3.639) 7.155 4.520 ( 3.930 -4.006 5.134) 7.606 4.583 ( 0.901 -4.466 0.641) 4.601 4.706 ( -2.132 -2.876 11.263) 11.818 4.831 ( -1.392 -0.874 1.159) 2.011 4.969 ( -1.688 4.518 1.890) 5.180 5.181 ( -5.832 -6.244 -2.255) 8.837 5.224 ( 0.987 -0.639 -1.496) 1.903 5.423 ( -1.865 -4.219 -4.396) 6.372 5.590 ( -4.233 -3.963 -1.410) 5.967 5.735 ( 1.218 2.427 1.898) 3.313 5.889 ( -0.581 -2.993 3.611) 4.726 6.076 ( 8.695 2.432 -0.364) 9.035 6.126 ( 8.319 -0.199 2.446) 8.674 6.357 ( -1.594 -3.597 2.847) 4.856 6.531 ( -1.911 0.550 -4.481) 4.902 6.598 ( 4.104 1.507 -5.163) 6.765 6.956 ( 15.069 -3.019 4.266) 15.949 7.066 ( 1.158 -2.025 -0.964) 2.524 7.220 ( 4.307 2.025 -2.262) 5.270 7.454 ( -1.811 0.871 2.044) 2.866 7.542 ( -0.662 -0.838 -2.263) 2.502 7.667 ( -1.170 0.263 -3.927) 4.107 7.716 ( 1.161 3.490 -2.834) 4.643 8.030 ( 9.165 -3.248 8.059) 12.629 8.112 ( -0.274 -3.105 -0.592) 3.173 8.405 ( -3.348 2.440 -4.539) 6.145 8.651 ( -3.933 -6.330 -6.620) 9.968 8.795 ( 6.021 6.028 -1.609) 8.670 9.032 ( -3.990 4.033 -9.694) 11.232 9.083 ( -2.659 3.568 3.120) 5.435 9.344 ( -1.701 2.454 10.300) 10.725 9.392 ( 10.519 -7.736 -0.960) 13.092 10.039 ( -3.987 5.276 6.925) 9.575 10.232 ( -2.900 3.735 -2.264) 5.243 10.344 ( 0.070 0.030 1.368) 1.370 10.362 ( -4.709 0.201 7.962) 9.252 10.492 ( 0.695 0.066 1.133) 1.331 10.525 ( -0.551 8.340 2.974) 8.872 10.849 ( -8.557 4.661 0.156) 9.745 10.907 ( -3.408 5.894 -9.506) 11.693 11.305 ( -7.221 -4.863 -0.048) 8.706 11.944 ( -8.988 -0.610 -0.655) 9.032 12.498 ( -5.328 -6.882 2.671) 9.104 12.540 ( -7.734 -2.330 -1.133) 8.156 12.666 ( -4.268 -3.200 0.861) 5.404 13.046 ( 1.259 1.182 -0.769) 1.890 13.151 ( 5.450 1.460 -8.424) 10.139 13.258 ( -0.139 2.447 1.947) 3.130 13.390 ( -0.272 0.515 7.991) 8.013 14.035 ( 0.951 -3.967 2.899) 5.005 14.089 ( -3.169 -4.797 -0.147) 5.751 14.775 ( 1.236 0.838 -4.166) 4.426 14.803 ( -5.786 0.885 2.831) 6.502 14.922 ( -0.946 -3.426 -5.266) 6.353 15.130 ( 3.273 1.949 -2.172) 4.385 15.296 ( 5.315 3.506 1.704) 6.591 15.321 ( 5.000 4.790 1.167) 7.021 15.568 ( 3.711 0.036 0.058) 3.712 15.740 ( 8.070 -2.130 3.825) 9.181 15.908 ( 2.077 0.943 -10.024) 10.280 16.535 ( 5.956 -6.645 18.380) 20.432 17.102 ( -5.926 -2.396 -19.013) 20.059 17.576 ( -3.979 14.198 -2.759) 15.001 18.043 ( -5.631 0.476 16.246) 17.201 18.508 ( -0.655 -3.837 -8.673) 9.507 19.806 ( -3.033 -3.300 -5.025) 6.734 19.969 ( -3.246 -0.573 6.418) 7.215 20.773 ( -8.681 -5.610 -5.047) 11.502 21.089 ( 0.284 1.275 5.138) 5.301 21.359 ( -14.160 -6.404 -7.398) 17.212 21.478 ( -1.024 -0.908 2.057) 2.470 21.757 ( -4.660 -6.923 1.066) 8.413 21.885 ( -12.619 -6.940 1.841) 14.519 22.856 ( 22.897 21.495 0.156) 31.406 23.220 ( 22.936 31.546 0.951) 39.014 24.125 ( 14.664 -13.039 -1.068) 19.651 24.890 ( 3.561 -5.406 0.840) 6.528 25.119 ( -3.658 -0.381 -0.650) 3.735 25.296 ( -3.409 0.625 0.939) 3.591 25.512 ( -2.121 0.973 0.008) 2.334 25.785 ( -7.195 -5.128 -0.288) 8.840 26.970 ( -1.129 0.007 -0.719) 1.338 27.085 ( -0.194 -0.949 1.151) 1.505 27.236 ( 2.269 0.604 1.481) 2.776 27.570 ( 1.070 -3.111 -1.824) 3.761 ======================= Grid point 147 (66/78) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 9.032 -3.009 -1.301) 9.609 1.663 ( 2.917 -1.115 2.045) 3.733 2.076 ( -5.319 8.978 0.578) 10.452 2.197 ( -4.746 -3.779 -1.966) 6.377 2.421 ( 0.047 -7.813 -6.512) 10.171 2.490 ( 11.030 3.705 -1.814) 11.776 2.801 ( 5.192 5.013 9.172) 11.671 2.915 ( 0.013 -2.969 -8.048) 8.578 3.152 ( -0.759 6.016 -0.383) 6.075 3.233 ( -2.408 -4.013 -2.284) 5.208 3.442 ( -2.176 1.159 -4.439) 5.078 3.549 ( 0.737 5.195 0.503) 5.271 3.744 ( 3.417 6.600 13.853) 15.721 3.774 ( -2.145 6.858 -5.141) 8.835 3.829 ( 11.091 -3.520 1.687) 11.757 4.094 ( -2.712 0.434 1.263) 3.022 4.148 ( 4.214 2.463 -2.552) 5.508 4.569 ( -1.878 3.112 -3.678) 5.171 4.630 ( -1.726 -5.543 1.366) 5.964 4.716 ( -5.215 -0.738 5.976) 7.966 4.840 ( 0.407 -0.626 0.387) 0.842 4.885 ( 0.074 2.468 -1.237) 2.762 5.178 ( -1.197 -1.314 0.875) 1.981 5.362 ( 4.855 -7.213 1.692) 8.858 5.429 ( -1.953 -2.429 -6.132) 6.878 5.569 ( -6.407 -1.893 1.904) 6.946 5.711 ( -1.940 0.148 3.547) 4.045 5.935 ( 1.676 -0.211 2.968) 3.416 6.159 ( 11.232 5.395 -0.872) 12.491 6.221 ( 8.761 3.851 0.644) 9.592 6.409 ( -3.124 -5.253 -0.627) 6.144 6.457 ( -2.815 1.729 -4.272) 5.400 6.632 ( 5.647 2.137 -0.849) 6.098 7.094 ( -0.438 -0.292 2.106) 2.171 7.151 ( 7.857 4.469 -1.198) 9.118 7.276 ( 3.920 2.643 -0.047) 4.728 7.368 ( -0.196 -2.663 0.409) 2.701 7.511 ( -2.949 0.654 0.482) 3.058 7.663 ( -0.430 2.129 1.308) 2.535 7.674 ( -0.072 0.339 -3.735) 3.751 8.082 ( -4.486 2.292 -3.397) 6.076 8.152 ( -3.914 -0.452 2.222) 4.524 8.338 ( 0.707 -1.498 1.696) 2.371 8.690 ( -1.615 -5.385 -3.047) 6.395 8.786 ( 4.842 5.968 1.382) 7.809 8.964 ( 2.849 -4.105 -16.288) 17.038 9.052 ( 2.271 1.290 1.975) 3.275 9.295 ( 0.525 6.338 14.996) 16.289 9.626 ( 4.635 -1.413 1.347) 5.030 9.961 ( -0.713 -0.910 4.467) 4.614 10.051 ( -2.515 5.911 -2.673) 6.958 10.325 ( -1.357 1.362 -0.014) 1.923 10.356 ( -0.350 0.013 1.954) 1.986 10.436 ( -3.744 -0.689 -2.775) 4.710 10.615 ( -5.709 7.735 -7.777) 12.366 10.622 ( 3.961 -5.971 13.907) 15.644 10.865 ( 2.952 -1.044 -5.017) 5.914 11.282 ( -6.704 -5.193 -0.098) 8.480 11.887 ( -4.319 -5.003 -0.314) 6.616 12.458 ( -3.408 0.483 1.950) 3.956 12.544 ( -9.125 -10.342 -1.606) 13.886 12.678 ( -3.959 -5.371 -0.661) 6.705 13.051 ( 1.391 0.471 0.080) 1.471 13.161 ( 3.746 2.718 -5.134) 6.912 13.228 ( -0.947 1.660 2.760) 3.358 13.390 ( -0.731 0.933 2.113) 2.423 14.056 ( -2.779 0.221 3.055) 4.136 14.148 ( 0.013 -5.143 -1.262) 5.296 14.702 ( -6.870 0.314 5.948) 9.092 14.793 ( -1.175 -4.090 -7.275) 8.428 14.960 ( 2.897 -1.051 -3.811) 4.902 15.138 ( 3.551 2.721 -1.320) 4.664 15.308 ( 2.910 3.487 0.745) 4.602 15.331 ( 8.871 6.647 1.096) 11.139 15.605 ( 2.611 1.434 3.248) 4.407 15.798 ( -0.271 3.557 -6.272) 7.215 15.916 ( 3.373 -0.394 6.129) 7.007 16.655 ( -4.943 0.607 0.112) 4.981 17.054 ( -0.062 -6.448 -7.504) 9.895 17.360 ( -4.035 6.388 4.603) 8.847 18.072 ( 5.651 0.010 1.131) 5.763 18.551 ( 1.120 -2.380 0.752) 2.736 19.814 ( -2.078 -4.272 -4.649) 6.647 19.954 ( -3.309 -1.060 5.084) 6.157 20.758 ( -6.026 -8.164 -4.508) 11.103 21.085 ( -0.742 1.245 5.531) 5.718 21.273 ( -12.115 -9.358 -6.057) 16.463 21.459 ( -4.732 -0.976 2.318) 5.359 21.807 ( -4.226 -6.992 2.513) 8.548 21.874 ( -6.592 -8.934 -0.891) 11.139 22.853 ( 23.689 21.476 0.147) 31.975 23.117 ( 26.233 26.876 0.579) 37.561 24.364 ( 0.061 -0.427 -0.524) 0.679 24.858 ( -2.955 1.456 -0.159) 3.298 25.173 ( 0.701 -4.856 0.153) 4.908 25.222 ( -4.879 1.251 0.398) 5.052 25.496 ( -0.464 -0.854 -0.235) 1.000 25.761 ( -6.893 -4.835 -0.188) 8.422 26.959 ( -1.290 -1.013 -0.197) 1.652 27.093 ( -0.708 -0.955 -0.909) 1.496 27.271 ( 3.684 1.095 1.878) 4.277 27.602 ( -0.823 -1.423 -0.677) 1.777 ======================= Grid point 148 (67/78) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 12.631 1.387 -3.229) 13.111 1.688 ( 5.604 7.775 2.132) 9.818 1.872 ( -4.282 8.478 9.675) 13.558 2.067 ( -6.501 6.540 -8.083) 12.262 2.394 ( -3.841 1.174 -6.713) 7.823 2.500 ( -7.728 5.149 2.307) 9.569 2.732 ( 4.990 -1.959 2.964) 6.125 2.958 ( -9.913 2.968 -3.309) 10.864 3.135 ( 0.298 1.532 5.522) 5.738 3.276 ( -2.768 4.808 -5.112) 7.544 3.300 ( 1.923 0.594 -1.916) 2.779 3.518 ( 3.469 0.933 -3.545) 5.047 3.677 ( 1.793 3.604 4.225) 5.836 3.733 ( 1.436 2.563 6.158) 6.823 3.988 ( 7.978 4.979 0.767) 9.435 4.141 ( 6.356 -8.470 0.858) 10.625 4.180 ( 0.733 -0.742 2.190) 2.426 4.415 ( -6.343 5.537 -5.224) 9.908 4.603 ( -4.857 5.544 -2.226) 7.699 4.713 ( -3.400 -7.146 3.027) 8.473 4.831 ( 0.505 1.718 -0.377) 1.830 4.886 ( 1.017 -0.562 -4.737) 4.877 5.185 ( -0.940 0.633 1.488) 1.871 5.355 ( -8.247 1.556 -6.320) 10.507 5.512 ( 3.529 -1.902 6.000) 7.216 5.546 ( -1.082 -4.323 4.823) 6.566 5.713 ( -2.616 -3.637 1.742) 4.807 5.936 ( 0.920 4.345 0.923) 4.536 6.206 ( -0.222 3.238 -3.165) 4.533 6.234 ( 12.330 6.561 -0.964) 14.001 6.374 ( -3.357 -0.988 -3.235) 4.765 6.486 ( 5.429 0.102 0.905) 5.505 6.656 ( 4.664 3.697 0.445) 5.968 7.003 ( 0.391 8.182 3.292) 8.828 7.169 ( -1.198 1.712 2.386) 3.172 7.263 ( 4.719 2.173 -2.072) 5.593 7.374 ( -4.832 1.818 -2.605) 5.783 7.480 ( -4.686 5.706 -2.661) 7.849 7.584 ( 4.860 0.247 0.834) 4.937 7.722 ( -2.274 -3.610 2.407) 4.899 7.865 ( -11.401 6.954 -3.359) 13.770 8.065 ( -8.355 -1.771 -2.307) 8.847 8.454 ( 6.196 -3.846 5.724) 9.270 8.750 ( 1.397 -3.558 -1.239) 4.018 8.774 ( 2.795 2.640 0.358) 3.861 9.064 ( 0.779 -3.163 -5.132) 6.078 9.118 ( 9.013 -3.421 -10.208) 14.040 9.295 ( 3.676 2.920 18.078) 18.677 9.504 ( -4.644 9.727 6.474) 12.573 9.956 ( -3.530 -0.674 -6.857) 7.742 10.150 ( 2.741 -4.564 4.624) 7.052 10.239 ( -4.662 3.157 -1.084) 5.734 10.328 ( 0.120 1.235 -6.831) 6.943 10.410 ( -0.762 -2.522 -4.049) 4.831 10.550 ( 6.715 -3.329 3.038) 8.087 10.843 ( 4.381 -9.775 9.508) 14.323 10.957 ( 6.837 -3.752 -5.415) 9.495 11.279 ( -6.685 -6.494 -0.226) 9.323 11.979 ( 1.548 -9.450 0.086) 9.577 12.424 ( -6.119 -3.977 -0.947) 7.359 12.588 ( -3.977 -8.489 1.033) 9.431 12.705 ( -3.029 -4.747 -0.077) 5.631 13.062 ( 0.969 0.955 0.598) 1.486 13.142 ( 2.794 4.330 -1.733) 5.437 13.201 ( -1.338 0.622 2.056) 2.531 13.352 ( -1.413 1.747 -3.735) 4.359 14.014 ( -2.073 1.524 3.163) 4.077 14.179 ( -2.525 -1.137 -2.551) 3.766 14.658 ( -3.400 -1.879 7.328) 8.294 14.827 ( -3.221 -7.333 -8.111) 11.399 15.006 ( 4.174 -0.021 -2.427) 4.829 15.135 ( 3.152 3.277 -1.213) 4.706 15.290 ( 2.561 3.915 0.333) 4.690 15.354 ( 9.580 8.028 1.574) 12.598 15.611 ( 0.597 3.074 6.089) 6.847 15.664 ( -4.324 6.162 -6.281) 9.804 15.971 ( 0.667 1.902 11.652) 11.825 16.426 ( -10.474 7.786 -14.947) 19.843 17.218 ( 0.658 -11.146 6.927) 13.139 17.296 ( -1.268 -0.707 2.331) 2.746 18.207 ( 13.909 -2.325 -9.233) 16.856 18.608 ( -0.167 -2.795 8.333) 8.791 19.843 ( -0.478 -3.648 -3.667) 5.195 19.945 ( -3.001 -1.831 3.170) 4.734 20.823 ( -1.951 -9.217 -4.481) 10.433 21.068 ( -3.575 -0.942 5.431) 6.569 21.264 ( -7.285 -8.509 -3.135) 11.632 21.404 ( -5.715 -0.904 1.347) 5.941 21.869 ( -3.808 -7.811 2.643) 9.083 21.953 ( -5.174 -12.349 -1.765) 13.505 22.863 ( 23.937 20.958 -0.175) 31.816 23.146 ( 31.923 22.788 1.359) 39.246 24.120 ( -15.604 13.623 -0.129) 20.714 24.783 ( -11.041 2.428 -0.900) 11.340 25.167 ( -0.251 -1.784 0.328) 1.831 25.248 ( -0.746 -4.168 0.422) 4.255 25.519 ( 1.316 -1.708 -0.571) 2.230 25.742 ( -6.403 -5.030 -0.425) 8.154 26.964 ( -0.063 -0.714 1.003) 1.233 27.090 ( -1.348 -1.271 -2.532) 3.138 27.311 ( 5.078 2.355 1.366) 5.762 27.584 ( -2.761 0.536 0.277) 2.826 ======================= Grid point 149 (68/78) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 7.962 16.993 9.227) 20.911 1.643 ( 1.767 8.653 5.885) 10.613 1.695 ( 2.759 16.885 -13.854) 22.015 1.908 ( -5.297 6.323 -1.360) 8.360 2.204 ( -1.067 5.944 0.870) 6.102 2.462 ( -3.720 3.625 3.738) 6.400 2.663 ( -14.311 -3.947 -3.596) 15.275 2.772 ( -9.295 -0.296 -0.551) 9.316 3.040 ( 0.016 11.942 8.535) 14.679 3.071 ( 1.485 9.928 -5.401) 11.399 3.364 ( 1.624 -1.109 0.937) 2.178 3.594 ( -3.485 -1.832 -9.702) 10.471 3.703 ( 3.604 3.087 18.765) 19.355 3.759 ( 10.907 1.116 -8.853) 14.092 4.008 ( 3.561 1.861 -2.266) 4.613 4.173 ( -2.523 1.412 2.776) 4.008 4.259 ( -2.603 -0.022 -0.754) 2.710 4.409 ( -4.202 1.049 -0.499) 4.359 4.430 ( 9.286 -1.297 -3.968) 10.181 4.724 ( -7.233 -1.202 0.688) 7.364 4.848 ( 1.149 -4.290 3.814) 5.854 4.908 ( -0.193 -4.562 -5.725) 7.323 5.131 ( -3.201 1.395 -1.528) 3.811 5.181 ( -7.933 2.589 -2.890) 8.831 5.574 ( 2.604 1.917 8.878) 9.448 5.627 ( 0.178 -2.777 -1.241) 3.047 5.758 ( 1.287 -2.576 -1.899) 3.450 5.836 ( -2.832 5.089 0.470) 5.843 6.177 ( 5.439 1.383 -0.863) 5.678 6.315 ( 9.724 5.632 3.318) 11.717 6.360 ( -3.452 -4.905 -3.550) 6.969 6.477 ( -2.257 4.442 -0.727) 5.036 6.696 ( 11.017 6.424 1.046) 12.796 6.932 ( 1.660 5.816 4.239) 7.386 7.048 ( -7.571 5.597 -0.263) 9.419 7.183 ( -9.782 7.133 -2.203) 12.305 7.318 ( 5.278 1.723 -2.505) 6.091 7.397 ( 6.258 2.159 1.087) 6.708 7.506 ( -9.640 5.977 0.203) 11.344 7.695 ( -9.586 -2.235 0.265) 9.847 7.776 ( 5.662 -3.164 -0.699) 6.523 7.983 ( -7.403 -2.853 -2.402) 8.289 8.632 ( 6.792 -4.603 7.427) 11.067 8.771 ( 3.314 2.993 -1.522) 4.717 8.821 ( 0.821 -4.007 -3.276) 5.241 8.997 ( -7.588 3.268 2.526) 8.639 9.245 ( 8.122 -0.284 -3.914) 9.021 9.369 ( -1.354 0.252 4.299) 4.514 9.507 ( 9.993 -5.563 12.786) 17.155 9.857 ( -7.970 -2.100 -14.509) 16.686 10.106 ( -1.923 2.235 1.950) 3.535 10.160 ( -4.048 2.236 -0.584) 4.661 10.355 ( 2.715 -1.881 -2.669) 4.246 10.428 ( -2.468 -2.691 -0.173) 3.655 10.840 ( 14.602 -8.143 1.724) 16.808 11.045 ( 1.849 -7.778 3.280) 8.641 11.114 ( 5.881 -5.986 -2.005) 8.628 11.282 ( -7.407 -7.033 -0.533) 10.228 12.186 ( 5.539 -10.048 0.836) 11.504 12.399 ( -7.164 -5.913 -3.214) 9.829 12.697 ( 0.517 -6.702 4.648) 8.172 12.745 ( -0.982 -5.036 -0.530) 5.158 13.036 ( 1.317 4.884 -0.072) 5.058 13.093 ( -0.519 5.110 1.782) 5.437 13.193 ( 0.100 0.044 2.169) 2.172 13.280 ( -1.954 1.876 -8.331) 8.761 13.990 ( 0.162 1.085 4.487) 4.620 14.101 ( -4.926 2.044 -3.657) 6.466 14.721 ( 1.627 -4.745 7.578) 9.088 14.864 ( -4.585 -8.033 -8.475) 12.546 15.056 ( 4.158 0.592 -1.024) 4.323 15.117 ( 1.551 3.038 -1.350) 3.668 15.267 ( 2.769 4.415 1.642) 5.464 15.359 ( 8.007 8.284 1.385) 11.604 15.467 ( -6.292 7.651 -2.956) 10.337 15.549 ( -2.998 5.990 3.173) 7.412 15.953 ( -1.761 4.317 16.383) 17.033 16.129 ( -6.814 7.055 -19.041) 21.419 17.349 ( 3.348 -4.920 -5.915) 8.391 17.393 ( -3.888 -10.035 12.654) 16.612 18.479 ( 18.376 -9.353 -14.125) 24.994 18.700 ( -2.738 -8.279 13.247) 15.859 19.886 ( 1.160 -2.417 -0.903) 2.829 19.946 ( -2.459 -2.404 0.372) 3.459 20.937 ( 2.339 -7.339 -5.580) 9.512 21.056 ( -5.047 -3.013 5.717) 8.200 21.289 ( -3.445 -5.089 -0.679) 6.183 21.346 ( -4.675 -0.857 0.004) 4.753 21.967 ( -1.360 -9.775 2.264) 10.126 22.068 ( -7.121 -14.167 -1.528) 15.929 22.871 ( 23.099 21.281 -0.720) 31.416 23.250 ( 19.956 22.982 3.153) 30.600 23.699 ( -2.736 12.812 -0.903) 13.132 24.430 ( -27.232 7.665 -0.840) 28.303 25.235 ( 2.455 -3.110 0.202) 3.968 25.289 ( -1.329 -3.120 -0.154) 3.395 25.586 ( 3.732 -3.161 -0.333) 4.902 25.732 ( -6.429 -5.470 -0.634) 8.465 26.988 ( 1.985 -0.159 2.549) 3.235 27.076 ( -2.132 -1.234 -3.338) 4.149 27.344 ( 6.208 4.045 0.034) 7.409 27.507 ( -5.188 3.031 1.292) 6.145 ======================= Grid point 150 (69/78) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 4.636 22.902 -16.221) 28.445 1.396 ( -4.636 22.902 16.221) 28.445 1.554 ( -9.999 11.536 -8.784) 17.613 1.554 ( 9.999 11.536 8.784) 17.613 2.282 ( -10.840 0.032 0.137) 10.841 2.282 ( 10.840 0.032 -0.137) 10.841 2.692 ( 0.394 -2.872 -13.948) 14.247 2.692 ( -0.394 -2.872 13.948) 14.247 2.914 ( -1.485 8.610 -11.977) 14.825 2.914 ( 1.485 8.610 11.977) 14.825 3.416 ( -5.365 4.723 -15.540) 17.105 3.416 ( 5.365 4.723 15.540) 17.105 3.777 ( -1.840 0.748 -14.589) 14.724 3.777 ( 1.840 0.748 14.589) 14.724 4.087 ( -10.219 1.997 -0.861) 10.448 4.087 ( 10.219 1.997 0.861) 10.448 4.288 ( -1.902 -2.333 -7.890) 8.445 4.288 ( 1.902 -2.333 7.890) 8.445 4.618 ( -4.051 -0.752 -5.661) 7.002 4.618 ( 4.051 -0.752 5.661) 7.002 4.984 ( -0.010 -6.440 -5.012) 8.161 4.984 ( 0.010 -6.440 5.012) 8.161 5.085 ( -0.656 -0.415 -4.024) 4.098 5.085 ( 0.656 -0.415 4.024) 4.098 5.573 ( -1.245 4.934 -7.963) 9.450 5.573 ( 1.245 4.934 7.963) 9.450 5.791 ( 1.534 -0.825 -5.158) 5.444 5.791 ( -1.534 -0.825 5.158) 5.444 6.276 ( -5.596 5.018 -2.044) 7.789 6.276 ( 5.596 5.018 2.044) 7.789 6.385 ( -2.090 -2.565 -2.820) 4.347 6.385 ( 2.090 -2.565 2.820) 4.347 6.765 ( -11.410 5.884 -4.003) 13.447 6.765 ( 11.410 5.884 4.003) 13.447 6.947 ( -6.530 7.067 -2.275) 9.888 6.947 ( 6.530 7.067 2.275) 9.888 7.334 ( -0.941 2.327 -2.273) 3.386 7.334 ( 0.941 2.327 2.273) 3.386 7.560 ( -12.384 -1.306 -3.458) 12.923 7.560 ( 12.384 -1.306 3.458) 12.923 7.926 ( -4.437 -3.322 -5.069) 7.511 7.926 ( 4.437 -3.322 5.069) 7.511 8.757 ( 0.691 0.999 -7.485) 7.583 8.757 ( -0.691 0.999 7.485) 7.583 8.893 ( -2.885 -3.214 -2.402) 4.942 8.893 ( 2.885 -3.214 2.402) 4.942 9.350 ( 0.093 -1.758 -3.044) 3.516 9.350 ( -0.093 -1.758 3.044) 3.516 9.783 ( -7.274 -8.049 -12.556) 16.594 9.783 ( 7.274 -8.049 12.556) 16.594 10.094 ( 2.917 -0.606 -3.662) 4.720 10.094 ( -2.917 -0.606 3.662) 4.720 10.416 ( 1.552 -1.231 -7.158) 7.427 10.416 ( -1.552 -1.231 7.158) 7.427 11.082 ( 5.664 -1.511 -6.897) 9.051 11.082 ( -5.664 -1.511 6.897) 9.051 11.293 ( -3.200 -6.869 -0.468) 7.592 11.293 ( 3.200 -6.869 0.468) 7.592 12.383 ( -3.682 -3.834 -5.611) 7.730 12.383 ( 3.682 -3.834 5.611) 7.730 12.799 ( -2.281 -2.480 -2.144) 3.994 12.799 ( 2.281 -2.480 2.144) 3.994 12.970 ( 5.045 6.325 -3.404) 8.777 12.970 ( -5.045 6.325 3.404) 8.777 13.214 ( 1.930 0.181 -11.894) 12.051 13.214 ( -1.930 0.181 11.894) 12.051 14.015 ( -1.753 -0.031 -5.229) 5.515 14.015 ( 1.753 -0.031 5.229) 5.515 14.882 ( -4.878 -6.702 -8.589) 11.937 14.882 ( 4.878 -6.702 8.589) 11.937 15.076 ( -0.253 2.356 -1.073) 2.601 15.076 ( 0.253 2.356 1.073) 2.601 15.251 ( -4.211 4.921 -2.771) 7.044 15.251 ( 4.211 4.921 2.771) 7.044 15.370 ( -7.190 7.450 -1.854) 10.518 15.370 ( 7.190 7.450 1.854) 10.518 15.934 ( -0.468 4.153 -20.440) 20.862 15.934 ( 0.468 4.153 20.440) 20.862 17.477 ( 3.872 -5.814 -5.648) 8.983 17.477 ( -3.872 -5.814 5.648) 8.983 18.860 ( 10.023 -17.631 -13.339) 24.275 18.860 ( -10.023 -17.631 13.339) 24.275 19.946 ( 0.253 -2.148 -7.241) 7.557 19.946 ( -0.253 -2.148 7.241) 7.557 21.052 ( 4.590 -2.780 -6.335) 8.302 21.052 ( -4.590 -2.780 6.335) 8.302 21.317 ( 0.511 -1.507 -2.713) 3.145 21.317 ( -0.511 -1.507 2.713) 3.145 22.165 ( -2.974 -12.068 -4.662) 13.275 22.165 ( 2.974 -12.068 4.662) 13.275 22.820 ( -7.604 23.663 -4.873) 25.328 22.820 ( 7.604 23.663 4.873) 25.328 23.869 ( -32.381 7.299 -0.612) 33.199 23.869 ( 32.381 7.299 0.612) 33.199 25.304 ( -0.882 -1.951 -2.166) 3.045 25.304 ( 0.882 -1.951 2.166) 3.045 25.726 ( -0.819 -5.984 -6.160) 8.627 25.726 ( 0.819 -5.984 6.160) 8.627 27.042 ( -2.926 -0.511 -4.157) 5.109 27.042 ( 2.926 -0.511 4.157) 5.109 27.357 ( -1.464 5.953 -2.032) 6.458 27.357 ( 1.464 5.953 2.032) 6.458 ======================= Grid point 154 (70/78) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -0.018 0.000 1.796) 1.796 1.448 ( -2.135 0.000 -9.158) 9.404 1.806 ( 1.897 -0.000 3.011) 3.559 2.200 ( 17.732 -0.000 -4.504) 18.295 2.277 ( 8.138 -0.000 1.348) 8.249 2.409 ( 1.993 -0.000 -7.475) 7.736 2.680 ( 16.924 -0.000 -9.815) 19.564 2.884 ( 5.930 -0.000 -6.161) 8.551 3.269 ( 9.729 -0.000 5.429) 11.141 3.305 ( 5.276 -0.000 4.949) 7.233 3.381 ( 6.714 -0.000 3.714) 7.673 3.585 ( -4.437 0.000 -9.625) 10.599 3.837 ( 10.925 -0.000 0.724) 10.949 3.924 ( -5.516 0.000 5.473) 7.770 3.953 ( -0.027 0.000 7.767) 7.767 4.163 ( 2.703 -0.000 -7.771) 8.228 4.276 ( -4.662 0.000 1.695) 4.960 4.391 ( 3.607 -0.000 -4.543) 5.801 4.463 ( -3.977 0.000 4.627) 6.101 4.752 ( 11.986 -0.000 18.677) 22.192 4.762 ( -5.304 0.000 -3.950) 6.613 5.056 ( -5.014 0.000 6.217) 7.987 5.062 ( -8.542 0.000 -2.136) 8.805 5.248 ( -4.467 0.000 2.439) 5.090 5.292 ( 1.151 -0.000 -7.268) 7.359 5.568 ( -1.918 0.000 -4.244) 4.657 5.785 ( 2.654 -0.000 -3.921) 4.735 5.802 ( 0.223 -0.000 8.186) 8.189 6.097 ( 5.542 -0.000 -0.494) 5.564 6.098 ( 9.432 -0.000 7.959) 12.341 6.310 ( -2.659 0.000 0.563) 2.718 6.541 ( -0.172 0.000 -4.742) 4.745 6.620 ( 4.884 -0.000 -9.243) 10.454 6.931 ( 18.178 -0.000 5.852) 19.097 7.034 ( 2.162 -0.000 0.080) 2.163 7.296 ( 5.902 -0.000 -4.227) 7.259 7.407 ( 1.578 -0.000 2.343) 2.825 7.515 ( -0.993 0.000 -7.876) 7.939 7.693 ( -4.872 0.000 -6.638) 8.234 7.782 ( 4.067 -0.000 1.109) 4.215 7.971 ( 6.064 -0.000 7.974) 10.018 8.048 ( 2.693 -0.000 2.768) 3.862 8.461 ( 1.162 -0.000 -9.744) 9.813 8.537 ( -6.627 0.000 -3.488) 7.489 8.960 ( 3.779 -0.000 0.851) 3.874 9.061 ( -1.315 0.000 -11.043) 11.121 9.184 ( -1.140 0.000 7.642) 7.726 9.224 ( 4.282 -0.000 1.865) 4.670 9.361 ( 2.019 -0.000 2.403) 3.139 10.184 ( -1.752 0.000 0.989) 2.012 10.204 ( -1.010 0.000 11.857) 11.900 10.327 ( -1.794 0.000 -4.992) 5.305 10.420 ( -9.407 0.000 10.967) 14.449 10.482 ( -3.773 0.000 1.243) 3.973 10.722 ( 0.207 -0.000 -2.689) 2.697 11.014 ( -11.060 0.000 2.937) 11.443 11.043 ( -5.402 0.000 -10.284) 11.616 11.125 ( -10.682 0.000 0.461) 10.691 11.964 ( -8.324 0.000 2.037) 8.570 12.238 ( -7.965 0.000 -5.504) 9.682 12.526 ( -5.499 0.000 -5.177) 7.553 12.675 ( -8.965 0.000 13.604) 16.292 13.105 ( 0.947 -0.000 6.361) 6.431 13.131 ( 5.983 -0.000 -18.253) 19.209 13.321 ( -0.798 0.000 -0.851) 1.167 13.401 ( -1.165 0.000 12.253) 12.308 13.931 ( -0.246 0.000 -3.077) 3.087 14.002 ( 0.757 -0.000 5.707) 5.757 14.799 ( -5.084 0.000 0.140) 5.086 14.807 ( -8.146 0.000 -5.095) 9.608 14.880 ( 7.257 -0.000 -0.900) 7.312 15.150 ( 1.074 -0.000 -2.680) 2.887 15.380 ( 6.651 -0.000 3.917) 7.719 15.386 ( 4.031 -0.000 -6.567) 7.705 15.585 ( 5.761 -0.000 5.277) 7.813 15.694 ( 12.443 -0.000 1.692) 12.557 15.926 ( 5.789 -0.000 -13.810) 14.974 16.416 ( 5.968 -0.000 22.528) 23.305 17.053 ( -7.014 0.000 -17.091) 18.474 17.884 ( -8.565 0.000 -9.113) 12.506 18.054 ( -7.668 0.000 25.958) 27.067 18.386 ( -0.180 0.000 -14.926) 14.927 19.744 ( -4.921 0.000 -4.912) 6.953 19.949 ( -4.721 0.000 5.890) 7.548 20.678 ( -9.911 0.000 -2.228) 10.159 21.105 ( 0.027 -0.000 3.809) 3.809 21.225 ( -17.569 0.000 -10.065) 20.248 21.458 ( -1.996 0.000 3.920) 4.399 21.678 ( 1.527 -0.000 -0.440) 1.590 21.786 ( -8.993 0.000 2.751) 9.404 23.422 ( 23.696 -0.000 -5.048) 24.227 23.564 ( 21.522 -0.000 8.177) 23.023 24.260 ( 11.982 -0.000 -0.257) 11.984 24.416 ( 12.806 -0.000 -0.509) 12.816 25.168 ( -3.827 0.000 -1.311) 4.046 25.286 ( -5.237 0.000 2.912) 5.992 25.589 ( -6.515 0.000 4.980) 8.200 25.605 ( -6.739 0.000 -7.372) 9.988 26.986 ( -2.807 0.000 -1.666) 3.264 27.064 ( 0.676 -0.000 2.435) 2.527 27.263 ( 2.260 -0.000 3.611) 4.260 27.493 ( 2.864 -0.000 -4.225) 5.104 ======================= Grid point 155 (71/78) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 6.235 1.278 -1.271) 6.490 1.524 ( 3.512 -7.017 0.519) 7.864 1.880 ( -1.292 -8.104 5.446) 9.849 2.222 ( -6.845 -1.792 -13.554) 15.290 2.370 ( 1.530 3.209 -5.355) 6.428 2.552 ( 15.987 -5.902 6.805) 18.349 2.755 ( 11.012 7.667 -3.601) 13.893 2.993 ( 0.403 -2.760 -4.476) 5.274 3.193 ( -13.224 2.077 1.100) 13.431 3.378 ( 6.653 4.134 3.350) 8.519 3.464 ( 0.512 3.492 -5.052) 6.162 3.653 ( 13.877 -3.562 1.523) 14.407 3.851 ( -0.237 9.435 3.895) 10.210 3.874 ( -0.100 2.385 2.144) 3.209 3.951 ( 1.999 1.606 -2.771) 3.775 4.120 ( -9.254 0.933 1.008) 9.355 4.245 ( 9.353 1.164 -6.140) 11.249 4.438 ( 0.409 -3.911 -0.871) 4.028 4.565 ( 2.908 -6.863 5.055) 9.006 4.710 ( 3.275 4.500 0.999) 5.654 4.899 ( 4.308 3.690 5.388) 7.824 4.968 ( -6.531 1.703 3.982) 7.837 5.060 ( 1.538 -5.851 2.999) 6.752 5.230 ( 1.795 -0.999 1.993) 2.862 5.322 ( 0.243 -4.005 -4.921) 6.350 5.482 ( -5.843 0.026 -7.385) 9.417 5.789 ( 2.073 2.017 -0.451) 2.927 5.913 ( 5.636 -1.500 7.467) 9.474 6.214 ( 10.811 -1.281 -1.564) 10.999 6.236 ( -0.116 -2.699 3.413) 4.353 6.289 ( 3.688 -0.622 4.742) 6.039 6.499 ( -2.438 0.991 -5.655) 6.237 6.673 ( 6.952 0.793 -5.952) 9.186 7.098 ( 8.564 2.714 4.464) 10.031 7.221 ( 16.523 -1.779 4.490) 17.215 7.324 ( 4.058 2.689 0.072) 4.869 7.392 ( -7.952 0.562 -0.752) 8.007 7.462 ( -2.425 -2.061 -4.787) 5.749 7.628 ( 0.463 0.043 -5.587) 5.606 7.796 ( 0.431 2.076 -0.406) 2.159 8.057 ( -3.190 -0.903 0.228) 3.323 8.134 ( 8.435 -1.821 7.137) 11.198 8.382 ( -3.854 3.891 -5.119) 7.497 8.519 ( -0.362 -5.092 -7.505) 9.076 8.926 ( -1.553 2.714 1.063) 3.302 8.988 ( -5.184 0.794 -4.187) 6.711 9.164 ( 6.320 7.427 0.740) 9.780 9.370 ( 3.359 -2.104 1.555) 4.257 9.454 ( 10.302 -4.552 2.783) 11.602 10.092 ( -3.939 5.051 2.438) 6.854 10.212 ( -5.153 2.649 2.120) 6.170 10.313 ( -1.868 -2.212 0.623) 2.962 10.333 ( -4.119 -0.723 10.586) 11.382 10.435 ( -4.723 -1.217 0.086) 4.878 10.645 ( -3.437 6.791 3.332) 8.309 10.807 ( -7.340 4.310 0.594) 8.533 10.915 ( -3.668 3.814 -11.477) 12.638 11.062 ( -11.481 -8.853 0.859) 14.523 11.835 ( -7.436 2.082 1.999) 7.977 12.189 ( -10.147 -10.267 -5.752) 15.539 12.461 ( -4.299 -2.276 -3.308) 5.883 12.577 ( -8.263 0.371 8.459) 11.831 13.099 ( 1.893 2.717 0.241) 3.321 13.176 ( 3.465 -1.274 -10.194) 10.842 13.294 ( -0.539 1.705 1.574) 2.382 13.412 ( -1.710 0.365 9.062) 9.229 13.970 ( 1.594 -4.476 -2.191) 5.232 14.044 ( 0.863 -0.775 4.743) 4.883 14.694 ( -6.843 -1.913 -6.597) 9.696 14.711 ( -7.806 0.150 4.613) 9.069 14.979 ( 7.317 1.191 -2.595) 7.854 15.154 ( 0.295 -0.711 -1.594) 1.770 15.419 ( 5.616 1.736 -6.118) 8.484 15.471 ( 8.652 2.744 2.054) 9.307 15.653 ( 3.650 1.642 6.058) 7.260 15.866 ( 10.375 0.675 1.183) 10.464 15.937 ( 3.251 1.655 -8.951) 9.666 16.570 ( 1.660 -3.321 16.915) 17.318 16.940 ( -3.378 -1.984 -15.112) 15.611 17.606 ( -13.896 6.734 -2.831) 15.699 18.110 ( 4.754 2.526 14.501) 15.468 18.433 ( 4.308 -4.812 -8.733) 10.862 19.680 ( -5.537 -3.264 -3.388) 7.266 19.898 ( -6.629 -1.919 3.360) 7.675 20.572 ( -8.161 -3.153 0.340) 8.755 21.010 ( -15.173 -4.921 -8.448) 18.050 21.120 ( 0.890 -0.053 2.114) 2.294 21.424 ( -5.548 -0.858 3.892) 6.831 21.704 ( 0.861 -0.975 0.139) 1.308 21.730 ( -2.758 -1.926 0.812) 3.461 23.492 ( 22.607 20.079 -0.940) 30.251 23.926 ( 18.761 11.911 4.763) 22.728 24.190 ( 15.217 3.977 -3.159) 16.042 24.810 ( 5.573 -13.598 0.994) 14.730 25.072 ( -5.180 2.816 -0.683) 5.936 25.228 ( -5.836 -1.825 0.794) 6.166 25.481 ( -4.092 0.301 -0.594) 4.145 25.563 ( -9.682 -6.160 -0.680) 11.496 26.946 ( -1.924 0.125 -0.482) 1.988 27.065 ( -1.431 -0.662 -0.617) 1.693 27.304 ( 3.349 1.172 4.681) 5.874 27.531 ( 0.962 -2.420 -3.197) 4.123 ======================= Grid point 156 (72/78) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 13.790 -4.930 -1.552) 14.727 1.693 ( 7.187 -3.585 3.278) 8.675 1.961 ( -6.800 -3.122 -7.247) 10.417 2.136 ( -4.594 -6.971 10.150) 13.143 2.319 ( 2.047 4.338 -6.020) 7.697 2.720 ( -7.111 6.691 -1.051) 9.821 2.830 ( 2.204 -1.950 -0.959) 3.095 2.880 ( -2.191 -1.040 0.544) 2.486 3.101 ( -0.899 -3.558 -3.762) 5.255 3.314 ( -1.972 3.551 -0.690) 4.121 3.455 ( 7.530 6.852 -2.951) 10.600 3.633 ( -2.618 7.988 -1.482) 8.536 3.831 ( -0.266 4.108 1.555) 4.401 3.880 ( 1.323 3.236 -2.615) 4.366 3.934 ( 5.692 -3.356 3.347) 7.407 4.090 ( 4.071 -0.909 1.827) 4.554 4.291 ( 4.689 7.518 -1.393) 8.969 4.484 ( -0.587 -3.501 -0.828) 3.645 4.645 ( -2.789 2.188 7.827) 8.592 4.682 ( 1.512 2.927 -1.171) 3.496 4.884 ( 1.675 2.168 -0.240) 2.750 4.926 ( 1.959 2.343 1.365) 3.345 5.174 ( 3.891 -2.323 3.741) 5.877 5.305 ( -0.095 -4.323 -5.068) 6.662 5.374 ( 1.464 -1.419 -3.091) 3.703 5.420 ( -3.925 -5.387 1.742) 6.889 5.764 ( 0.133 4.035 3.547) 5.374 5.994 ( 3.544 1.274 4.044) 5.526 6.202 ( -6.214 -3.540 -3.253) 7.857 6.374 ( -2.088 3.382 -3.437) 5.255 6.400 ( 11.068 0.113 -2.354) 11.316 6.475 ( 9.432 -0.954 3.271) 10.028 6.734 ( 5.306 1.593 -0.531) 5.565 7.162 ( 3.743 4.054 4.107) 6.878 7.225 ( -6.782 0.268 -0.922) 6.850 7.363 ( 7.978 4.280 -1.262) 9.141 7.442 ( -4.275 -1.251 0.781) 4.522 7.459 ( 11.309 0.545 0.315) 11.327 7.637 ( 1.121 -0.631 -0.899) 1.569 7.739 ( -0.931 4.118 -1.887) 4.624 7.997 ( -6.464 -0.413 -1.828) 6.730 8.121 ( -7.888 7.723 -0.405) 11.046 8.355 ( 3.994 -2.828 4.063) 6.361 8.586 ( 0.278 -5.627 -6.008) 8.236 8.893 ( 0.405 -2.417 -11.212) 11.476 8.919 ( -1.207 1.473 8.137) 8.357 9.175 ( 9.832 6.138 -1.300) 11.663 9.396 ( 2.119 1.994 4.334) 5.220 9.684 ( 6.348 -2.114 1.839) 6.939 9.986 ( -1.694 2.846 2.496) 4.147 10.053 ( -5.801 3.246 0.306) 6.655 10.295 ( -4.166 -1.936 -0.054) 4.594 10.369 ( 1.471 0.003 5.081) 5.290 10.382 ( -2.630 1.675 -1.791) 3.596 10.599 ( -1.232 -4.608 11.149) 12.126 10.626 ( -5.157 6.440 -6.027) 10.217 10.862 ( 1.086 -2.253 -6.807) 7.252 11.046 ( -10.686 -8.796 0.403) 13.847 11.769 ( -2.636 -2.992 1.950) 4.439 12.177 ( -12.315 -10.477 -4.892) 16.893 12.451 ( -1.986 -2.686 0.309) 3.355 12.526 ( -5.674 -4.492 2.435) 7.635 13.092 ( 1.765 1.814 1.369) 2.878 13.187 ( 1.545 0.309 -8.900) 9.039 13.273 ( 0.681 2.192 2.925) 3.718 13.397 ( -2.217 1.034 4.808) 5.394 14.054 ( 1.318 -1.320 -2.017) 2.747 14.074 ( 0.571 -2.579 3.541) 4.418 14.624 ( -6.917 -0.509 5.668) 8.957 14.642 ( -4.812 -4.584 -7.109) 9.732 15.029 ( 4.593 1.300 -1.510) 5.006 15.166 ( -0.153 -0.837 -1.258) 1.519 15.444 ( 6.659 4.347 -2.753) 8.415 15.552 ( 10.306 4.621 0.131) 11.295 15.679 ( 0.710 1.740 7.130) 7.373 15.849 ( 0.936 5.439 -10.387) 11.763 16.014 ( 6.901 1.463 8.214) 10.827 16.572 ( -8.303 1.362 -2.097) 8.672 16.968 ( 3.293 -5.300 -1.501) 6.417 17.352 ( -9.420 4.115 -0.970) 10.325 18.202 ( 9.250 1.713 5.049) 10.677 18.528 ( 2.023 -3.121 -1.597) 4.048 19.680 ( -3.474 -6.307 -2.376) 7.583 19.854 ( -7.294 -4.163 1.678) 8.565 20.561 ( -3.900 -6.283 1.209) 7.493 20.891 ( -12.923 -7.654 -6.029) 16.184 21.149 ( 1.849 -0.522 1.405) 2.380 21.366 ( -6.413 -1.248 3.010) 7.193 21.736 ( 0.203 -2.227 0.840) 2.389 21.748 ( -0.496 -2.785 -0.626) 2.897 23.496 ( 22.887 20.451 -0.810) 30.704 23.881 ( 23.726 24.993 2.585) 34.558 24.365 ( 1.098 0.802 -1.491) 2.018 24.833 ( -4.627 2.397 -0.132) 5.213 25.094 ( -0.032 -6.113 0.863) 6.173 25.154 ( -7.020 0.591 -0.226) 7.048 25.458 ( -1.765 -2.388 -0.575) 3.025 25.541 ( -8.729 -8.733 -0.129) 12.348 26.934 ( -0.446 -0.766 0.757) 1.166 27.049 ( -2.167 -1.262 -2.274) 3.385 27.354 ( 4.293 0.882 3.707) 5.740 27.557 ( -1.106 -1.954 -2.002) 3.008 ======================= Grid point 157 (73/78) ======================= q-point: (-0.38 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 5.405 -3.603 -5.304) 8.386 1.797 ( 1.938 2.696 2.824) 4.359 1.900 ( 6.439 -2.302 1.525) 7.006 2.226 ( 3.208 10.792 6.177) 12.842 2.329 ( 6.441 -5.057 0.147) 8.190 2.428 ( -12.684 3.173 -1.577) 13.170 2.718 ( -10.382 4.836 -0.084) 11.453 2.810 ( -12.691 0.675 -8.994) 15.569 3.214 ( 9.795 -3.452 -1.532) 10.498 3.336 ( 2.186 -0.586 1.269) 2.595 3.398 ( 1.429 8.845 -0.061) 8.959 3.494 ( -3.312 4.219 -0.738) 5.414 3.798 ( 7.197 2.751 -8.614) 11.557 3.836 ( -0.916 3.171 11.783) 12.236 4.058 ( 0.837 -2.423 2.823) 3.813 4.163 ( -3.469 1.161 -2.154) 4.245 4.240 ( 12.128 2.137 2.217) 12.513 4.479 ( 0.426 5.072 -0.700) 5.138 4.592 ( -4.823 3.268 2.574) 6.369 4.613 ( -1.514 0.123 -0.434) 1.579 4.872 ( 0.780 3.696 -0.444) 3.803 4.889 ( -0.077 2.902 -3.692) 4.697 5.213 ( 0.605 2.574 -3.579) 4.450 5.265 ( -4.800 1.539 0.829) 5.108 5.460 ( 1.650 -6.195 2.350) 6.828 5.499 ( -0.145 -5.640 1.766) 5.912 5.745 ( 4.315 2.437 6.826) 8.435 5.975 ( -4.288 2.699 -2.027) 5.457 6.172 ( -0.813 -1.795 -3.955) 4.418 6.263 ( -4.965 0.248 -1.951) 5.340 6.497 ( 8.927 4.262 -0.822) 9.926 6.590 ( 3.274 2.723 0.295) 4.268 6.805 ( 9.759 1.231 4.042) 10.634 7.073 ( -5.730 2.341 -0.594) 6.218 7.208 ( 2.493 4.625 4.070) 6.646 7.334 ( -4.237 2.698 -3.255) 5.986 7.432 ( 8.588 4.708 -1.058) 9.851 7.515 ( 2.479 4.131 -4.412) 6.533 7.631 ( -4.987 0.131 3.959) 6.369 7.681 ( 1.439 3.303 -0.802) 3.691 7.831 ( -7.040 7.706 -3.831) 11.119 7.919 ( -8.247 0.052 1.112) 8.321 8.493 ( 5.444 -4.432 5.777) 9.092 8.640 ( -2.119 -5.388 -4.637) 7.418 8.914 ( 4.502 1.827 -0.519) 4.887 8.982 ( 0.399 -5.625 -1.683) 5.885 9.225 ( 9.584 3.666 -4.283) 11.119 9.396 ( -1.719 2.811 6.806) 7.562 9.627 ( 0.456 7.719 8.077) 11.182 9.864 ( -7.891 2.293 -8.434) 11.776 10.148 ( 4.253 -4.978 6.834) 9.465 10.252 ( -2.828 2.673 0.575) 3.934 10.325 ( -0.906 -1.057 -3.706) 3.959 10.356 ( -1.015 4.619 -4.233) 6.347 10.595 ( 7.568 -5.991 2.350) 9.934 10.757 ( 0.997 -10.478 5.022) 11.662 10.931 ( 1.771 -6.087 -4.420) 7.729 11.036 ( -9.684 -8.587 0.249) 12.946 11.876 ( 4.225 -8.508 2.717) 9.880 12.142 ( -12.236 -9.858 -4.039) 16.224 12.499 ( 0.492 -4.942 2.273) 5.462 12.559 ( -3.429 -7.047 -0.696) 7.868 13.099 ( 1.472 1.184 2.451) 3.095 13.159 ( -0.566 0.879 -6.343) 6.429 13.265 ( 2.215 2.862 3.086) 4.756 13.349 ( -2.620 2.046 -0.030) 3.324 14.052 ( 1.295 2.120 2.342) 3.414 14.116 ( -1.579 -1.373 -2.221) 3.051 14.596 ( -3.238 -3.123 7.985) 9.165 14.648 ( -2.836 -6.069 -8.443) 10.777 15.072 ( 4.019 0.440 -0.119) 4.044 15.158 ( -1.505 -0.084 -1.618) 2.211 15.453 ( 6.943 6.289 0.025) 9.368 15.589 ( 5.061 6.787 0.094) 8.467 15.651 ( -0.908 3.523 2.973) 4.698 15.740 ( 0.601 6.558 -4.288) 7.858 16.080 ( 4.054 4.027 12.003) 13.294 16.348 ( -9.919 6.460 -11.972) 16.836 17.117 ( 2.750 -7.162 3.676) 8.507 17.233 ( -4.771 -1.854 -1.250) 5.269 18.347 ( 12.109 -0.877 -3.012) 12.509 18.560 ( -3.845 -2.324 4.326) 6.236 19.752 ( 0.506 -6.581 -2.567) 7.082 19.839 ( -5.869 -5.180 2.000) 8.079 20.662 ( 1.289 -9.050 0.469) 9.154 20.842 ( -10.533 -9.084 -2.582) 14.146 21.197 ( 2.902 -1.226 0.553) 3.198 21.310 ( -5.518 -1.321 1.541) 5.880 21.779 ( -0.344 -3.335 2.180) 3.999 21.794 ( -0.485 -4.646 -2.098) 5.120 23.504 ( 23.145 20.200 -1.076) 30.739 23.888 ( 20.334 20.085 3.542) 28.799 24.132 ( -7.439 14.384 -1.604) 16.273 24.656 ( -17.050 7.506 -0.841) 18.649 25.115 ( 0.120 -4.391 -0.591) 4.432 25.163 ( -1.974 -5.036 1.052) 5.510 25.496 ( 0.978 -3.560 -0.832) 3.784 25.568 ( -5.259 -6.637 0.335) 8.475 26.960 ( 1.136 -1.365 2.015) 2.686 27.031 ( -2.331 -1.637 -3.024) 4.154 27.415 ( 4.972 0.956 2.214) 5.526 27.541 ( -3.211 -0.414 -1.160) 3.439 ======================= Grid point 158 (74/78) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -0.144 4.081 -5.176) 6.593 1.765 ( 0.144 4.081 5.176) 6.593 2.012 ( -3.897 10.526 -2.014) 11.403 2.012 ( 3.897 10.526 2.014) 11.403 2.377 ( -15.966 5.056 -2.843) 16.987 2.377 ( 15.966 5.056 2.843) 16.987 2.593 ( -10.385 -0.804 -8.477) 13.429 2.593 ( 10.385 -0.804 8.477) 13.429 3.245 ( 0.205 11.869 -3.665) 12.423 3.245 ( -0.205 11.869 3.665) 12.423 3.422 ( -9.391 -4.468 -2.630) 10.727 3.422 ( 9.391 -4.468 2.630) 10.727 3.826 ( 3.735 1.713 -22.833) 23.200 3.826 ( -3.735 1.713 22.833) 23.200 4.103 ( -4.755 -0.540 -4.007) 6.241 4.103 ( 4.755 -0.540 4.007) 6.241 4.352 ( -7.146 4.895 -6.265) 10.690 4.352 ( 7.146 4.895 6.265) 10.690 4.565 ( -3.583 -1.017 -3.580) 5.166 4.565 ( 3.583 -1.017 3.580) 5.166 4.837 ( -0.292 0.348 -5.234) 5.254 4.837 ( 0.292 0.348 5.234) 5.254 5.165 ( 3.010 3.819 -9.385) 10.570 5.165 ( -3.010 3.819 9.385) 10.570 5.574 ( 0.109 -4.959 -1.405) 5.156 5.574 ( -0.109 -4.959 1.405) 5.156 5.825 ( -6.429 2.729 -5.718) 9.026 5.825 ( 6.429 2.729 5.718) 9.026 6.224 ( -1.521 -2.721 -3.282) 4.527 6.224 ( 1.521 -2.721 3.282) 4.527 6.514 ( -2.145 5.354 -3.087) 6.542 6.514 ( 2.145 5.354 3.087) 6.542 6.926 ( -8.934 3.661 -1.903) 9.841 6.926 ( 8.934 3.661 1.903) 9.841 7.174 ( -3.151 7.068 -5.263) 9.358 7.174 ( 3.151 7.068 5.263) 9.358 7.480 ( -2.387 6.265 -2.364) 7.109 7.480 ( 2.387 6.265 2.364) 7.109 7.533 ( -5.780 1.270 -2.157) 6.299 7.533 ( 5.780 1.270 2.157) 6.299 7.831 ( -1.515 -1.816 -4.988) 5.520 7.831 ( 1.515 -1.816 4.988) 5.520 8.657 ( -4.287 -5.237 -6.041) 9.072 8.657 ( 4.287 -5.237 6.041) 9.072 8.954 ( 0.424 3.406 -7.595) 8.335 8.954 ( -0.424 3.406 7.595) 8.335 9.315 ( 7.670 -0.786 -10.033) 12.653 9.315 ( -7.670 -0.786 10.033) 12.653 9.674 ( -8.705 1.695 -15.259) 17.649 9.674 ( 8.705 1.695 15.259) 17.649 10.170 ( -0.470 4.566 -3.725) 5.912 10.170 ( 0.470 4.566 3.725) 5.912 10.345 ( 1.715 -3.408 -8.007) 8.870 10.345 ( -1.715 -3.408 8.007) 8.870 10.880 ( -2.434 -10.059 -8.559) 13.430 10.880 ( 2.434 -10.059 8.559) 13.430 11.063 ( 1.440 -8.111 -3.522) 8.959 11.063 ( -1.440 -8.111 3.522) 8.959 12.132 ( -5.884 -10.550 -6.349) 13.647 12.132 ( 5.884 -10.550 6.349) 13.647 12.623 ( -1.326 -7.078 -4.121) 8.297 12.623 ( 1.326 -7.078 4.121) 8.297 13.111 ( -1.551 1.518 -4.084) 4.625 13.111 ( 1.551 1.518 4.084) 4.625 13.266 ( 2.591 3.074 -17.241) 17.704 13.266 ( -2.591 3.074 17.241) 17.704 14.059 ( -1.871 2.045 -5.300) 5.981 14.059 ( 1.871 2.045 5.300) 5.981 14.683 ( -0.971 -6.082 -9.900) 11.660 14.683 ( 0.971 -6.082 9.900) 11.660 15.118 ( -2.486 0.546 -1.514) 2.962 15.118 ( 2.486 0.546 1.514) 2.962 15.449 ( -6.467 7.096 -2.185) 9.846 15.449 ( 6.467 7.096 2.185) 9.846 15.610 ( -3.900 7.610 0.675) 8.578 15.610 ( 3.900 7.610 -0.675) 8.578 16.098 ( -4.314 6.302 -16.204) 17.913 16.098 ( 4.314 6.302 16.204) 17.913 17.261 ( 3.424 -7.133 -15.403) 17.317 17.261 ( -3.424 -7.133 15.403) 17.317 18.532 ( 7.450 -5.002 -19.201) 21.195 18.532 ( -7.450 -5.002 19.201) 21.195 19.857 ( 2.193 -4.414 -4.592) 6.736 19.857 ( -2.193 -4.414 4.592) 6.736 20.859 ( -6.252 -9.350 1.271) 11.319 20.859 ( 6.252 -9.350 -1.271) 11.319 21.267 ( -3.599 -1.547 -0.015) 3.917 21.267 ( 3.599 -1.547 0.015) 3.917 21.859 ( -0.064 -6.699 -4.078) 7.842 21.859 ( 0.064 -6.699 4.078) 7.842 23.507 ( -16.632 20.886 -0.959) 26.716 23.507 ( 16.632 20.886 0.959) 26.716 24.160 ( -30.426 11.996 -0.498) 32.709 24.160 ( 30.426 11.996 0.498) 32.709 25.208 ( -0.320 -4.406 -0.527) 4.449 25.208 ( 0.320 -4.406 0.527) 4.449 25.585 ( 0.376 -4.113 -5.073) 6.542 25.585 ( -0.376 -4.113 5.073) 6.542 27.014 ( -1.752 -1.429 -3.786) 4.410 27.014 ( 1.752 -1.429 3.786) 4.410 27.471 ( -1.979 1.736 -3.596) 4.457 27.471 ( 1.979 1.736 3.596) 4.457 ======================= Grid point 164 (75/78) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 4.188 -0.000 -8.788) 9.735 1.605 ( 15.924 -0.000 4.376) 16.515 1.884 ( 6.456 -0.000 14.704) 16.059 2.007 ( -15.017 0.000 -9.985) 18.034 2.411 ( 2.699 -0.000 -0.316) 2.717 2.688 ( 8.128 -0.000 -3.858) 8.998 2.849 ( -2.284 0.000 1.697) 2.846 2.914 ( -20.587 0.000 2.614) 20.752 3.039 ( 2.264 -0.000 -4.835) 5.339 3.337 ( -7.719 0.000 -5.198) 9.306 3.673 ( 13.115 -0.000 3.472) 13.567 3.792 ( 6.734 -0.000 -0.789) 6.780 3.863 ( -12.307 0.000 -6.393) 13.868 3.885 ( -1.733 0.000 7.465) 7.664 3.943 ( 0.210 -0.000 -10.519) 10.521 4.048 ( 9.292 -0.000 0.327) 9.298 4.398 ( 8.656 -0.000 0.866) 8.699 4.481 ( 1.198 -0.000 3.559) 3.755 4.553 ( 4.739 -0.000 7.394) 8.782 4.858 ( -9.658 0.000 -0.134) 9.659 4.863 ( 10.009 -0.000 -2.634) 10.349 5.044 ( 5.685 -0.000 5.327) 7.791 5.048 ( 4.758 -0.000 1.144) 4.894 5.266 ( 0.660 -0.000 9.155) 9.178 5.292 ( 2.518 -0.000 -6.495) 6.966 5.395 ( -2.622 0.000 -8.831) 9.212 5.841 ( 2.705 -0.000 -2.505) 3.687 6.009 ( 5.767 -0.000 8.713) 10.448 6.124 ( -8.298 0.000 -2.266) 8.602 6.359 ( 14.347 -0.000 -4.222) 14.955 6.441 ( 10.786 -0.000 12.474) 16.490 6.443 ( -4.266 0.000 -7.550) 8.671 6.761 ( 6.564 -0.000 -4.082) 7.730 7.213 ( -11.354 0.000 -2.544) 11.635 7.306 ( -2.152 0.000 7.702) 7.997 7.321 ( 12.319 -0.000 8.583) 15.014 7.430 ( 3.520 -0.000 -1.402) 3.789 7.509 ( 11.134 -0.000 -4.122) 11.873 7.636 ( 2.912 -0.000 -2.568) 3.883 7.795 ( -0.759 0.000 -2.624) 2.731 8.000 ( -4.198 0.000 0.445) 4.221 8.248 ( 5.815 -0.000 5.813) 8.222 8.376 ( -4.159 0.000 -7.244) 8.352 8.420 ( -0.829 0.000 -4.857) 4.928 8.880 ( -3.797 0.000 -13.050) 13.591 8.901 ( -7.197 0.000 11.948) 13.948 9.380 ( 6.560 -0.000 -0.629) 6.590 9.435 ( 11.749 -0.000 -1.149) 11.805 9.536 ( 8.027 -0.000 2.962) 8.556 10.035 ( -7.020 0.000 -4.233) 8.198 10.210 ( -5.125 0.000 -2.967) 5.922 10.272 ( -5.632 0.000 10.325) 11.761 10.286 ( -0.067 0.000 10.987) 10.988 10.349 ( -5.356 0.000 1.563) 5.579 10.673 ( -2.309 0.000 1.764) 2.906 10.751 ( -11.089 0.000 -1.639) 11.210 10.791 ( -5.771 0.000 0.238) 5.775 10.856 ( -6.045 0.000 -8.759) 10.642 11.793 ( -5.708 0.000 6.649) 8.763 11.947 ( -7.829 0.000 -9.945) 12.657 12.379 ( -2.694 0.000 -2.852) 3.923 12.489 ( -7.949 0.000 6.575) 10.315 13.156 ( -0.898 0.000 9.904) 9.945 13.170 ( 5.199 -0.000 -17.958) 18.696 13.307 ( 0.116 -0.000 1.740) 1.743 13.409 ( -2.747 0.000 7.354) 7.850 13.972 ( 4.246 -0.000 -2.441) 4.897 14.078 ( 1.653 -0.000 4.567) 4.857 14.567 ( -5.580 0.000 -6.881) 8.859 14.619 ( -7.838 0.000 5.609) 9.638 15.064 ( 4.163 -0.000 -2.123) 4.673 15.134 ( -0.910 0.000 -0.697) 1.147 15.506 ( 9.002 -0.000 -10.347) 13.714 15.607 ( 6.897 -0.000 5.401) 8.760 15.719 ( 0.602 -0.000 8.544) 8.565 15.938 ( 1.299 -0.000 -12.183) 12.252 16.052 ( 11.218 -0.000 3.792) 11.842 16.568 ( -4.753 0.000 7.031) 8.487 16.892 ( 3.350 -0.000 -3.589) 4.910 17.439 ( -13.921 0.000 -4.292) 14.567 18.264 ( 5.391 -0.000 17.685) 18.488 18.445 ( 7.645 -0.000 -13.319) 15.357 19.564 ( -5.822 0.000 -0.209) 5.826 19.770 ( -9.251 0.000 -1.341) 9.348 20.474 ( -4.288 0.000 5.961) 7.343 20.766 ( -10.642 0.000 -10.130) 14.692 21.143 ( 1.619 -0.000 1.507) 2.212 21.346 ( -6.060 0.000 2.909) 6.722 21.706 ( 0.234 -0.000 0.351) 0.422 21.713 ( 0.840 -0.000 0.024) 0.840 23.994 ( 19.130 -0.000 -3.076) 19.375 24.093 ( 14.325 -0.000 3.846) 14.832 24.607 ( 13.218 -0.000 0.127) 13.219 24.712 ( 7.598 -0.000 0.990) 7.662 25.055 ( -2.579 0.000 -1.494) 2.981 25.082 ( -9.836 0.000 0.375) 9.843 25.386 ( -10.051 0.000 2.533) 10.366 25.399 ( -6.345 0.000 -3.156) 7.087 26.926 ( -0.962 0.000 0.758) 1.225 27.027 ( -2.325 0.000 -2.242) 3.230 27.373 ( 2.748 -0.000 6.222) 6.802 27.512 ( 0.589 -0.000 -4.404) 4.443 ======================= Grid point 165 (76/78) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 6.119 -7.333 -8.411) 12.727 1.779 ( -12.466 -2.293 -3.474) 13.143 1.877 ( 18.520 0.144 3.229) 18.800 2.122 ( 12.475 -4.367 16.870) 21.431 2.452 ( 6.163 3.544 3.340) 7.855 2.549 ( -20.484 4.572 -2.868) 21.183 2.710 ( -9.476 -4.637 -10.251) 14.710 2.792 ( -10.113 -0.849 1.771) 10.302 3.105 ( 5.727 -2.305 -3.491) 7.093 3.228 ( -5.192 -1.963 -1.963) 5.888 3.696 ( 0.789 6.159 -0.584) 6.236 3.718 ( 2.486 8.105 -1.640) 8.634 3.874 ( -1.993 1.107 8.431) 8.734 3.898 ( -0.611 0.119 -7.009) 7.036 3.944 ( 8.954 -2.912 -0.360) 9.422 4.157 ( 3.320 -0.296 -6.257) 7.089 4.422 ( 2.829 5.481 4.485) 7.626 4.523 ( 1.487 0.297 4.843) 5.074 4.635 ( 0.778 -0.745 5.825) 5.923 4.715 ( -5.388 2.601 -4.509) 7.492 4.968 ( 7.128 2.033 -2.285) 7.756 5.034 ( 2.498 5.185 1.401) 5.923 5.207 ( 4.471 -3.741 4.024) 7.084 5.255 ( -1.529 0.273 -0.154) 1.560 5.340 ( 1.093 -2.670 -0.025) 2.886 5.377 ( 1.749 -0.897 -3.799) 4.277 5.845 ( 2.730 3.028 0.808) 4.156 6.007 ( -7.333 -0.178 -1.959) 7.592 6.118 ( 4.234 -0.939 5.984) 7.390 6.324 ( -6.507 2.051 -7.840) 10.393 6.547 ( 12.253 -0.022 -4.243) 12.967 6.625 ( 7.848 -0.238 7.810) 11.074 6.823 ( 5.496 0.421 -0.375) 5.525 7.069 ( -9.371 -1.284 -2.661) 9.826 7.295 ( 0.088 0.717 7.491) 7.526 7.391 ( -2.436 1.299 -3.473) 4.437 7.502 ( 6.635 1.910 7.121) 9.919 7.587 ( 3.340 0.288 -4.624) 5.712 7.699 ( 6.072 2.082 0.839) 6.473 7.778 ( 1.273 2.059 -2.140) 3.231 7.949 ( -0.234 2.991 -0.190) 3.006 8.145 ( -8.578 9.693 -1.848) 13.074 8.367 ( 2.698 -3.568 3.761) 5.845 8.469 ( -1.808 -6.590 -5.481) 8.760 8.829 ( 1.384 -2.378 -11.606) 11.927 8.869 ( -5.571 -2.856 10.566) 12.281 9.431 ( 8.806 6.155 -0.563) 10.759 9.486 ( 4.686 4.096 0.251) 6.229 9.726 ( 5.775 -4.067 0.741) 7.102 9.918 ( -8.155 1.038 -2.844) 8.699 10.098 ( 0.035 4.513 4.289) 6.226 10.206 ( -4.329 0.139 -0.755) 4.396 10.327 ( -1.404 -4.707 1.048) 5.022 10.383 ( -1.446 -6.013 6.287) 8.819 10.568 ( -3.059 3.778 5.592) 7.410 10.634 ( -3.466 4.887 -5.314) 8.008 10.762 ( -3.119 -5.252 -1.283) 6.242 10.815 ( -4.788 -5.358 -3.338) 7.923 11.745 ( -0.179 -0.153 4.712) 4.718 11.887 ( -7.584 -6.391 -6.416) 11.812 12.375 ( -0.229 -2.957 -2.356) 3.788 12.423 ( -5.035 -1.610 4.019) 6.641 13.151 ( 0.786 1.971 3.842) 4.389 13.183 ( 1.351 0.272 -8.277) 8.391 13.317 ( 1.957 0.760 0.245) 2.114 13.384 ( -3.298 0.372 4.690) 5.745 14.045 ( 4.219 -1.880 -2.729) 5.365 14.098 ( -0.226 0.603 3.958) 4.010 14.513 ( -1.762 -2.593 -7.551) 8.175 14.542 ( -6.322 -0.721 6.691) 9.234 15.088 ( 2.231 0.739 -0.847) 2.499 15.132 ( -1.192 -1.221 -0.640) 1.823 15.584 ( 8.395 2.240 -7.645) 11.573 15.696 ( 0.574 0.217 6.184) 6.215 15.733 ( 2.896 2.285 7.353) 8.226 15.880 ( -1.238 2.423 -10.020) 10.383 16.190 ( 9.673 2.741 5.328) 11.379 16.471 ( -8.550 1.703 -2.979) 9.213 16.984 ( 6.299 -1.918 3.952) 7.680 17.241 ( -10.367 1.195 -4.734) 11.459 18.371 ( 6.331 1.699 11.835) 13.530 18.506 ( 2.403 -1.546 -9.577) 9.994 19.548 ( -1.771 -4.998 2.284) 5.774 19.670 ( -8.046 -4.331 -3.381) 9.744 20.486 ( 0.016 -2.593 7.373) 7.815 20.641 ( -7.446 -3.506 -9.033) 12.220 21.177 ( 2.678 -0.297 0.603) 2.761 21.280 ( -5.124 -0.549 1.677) 5.419 21.720 ( 0.666 -0.867 -0.309) 1.136 21.727 ( 0.131 -0.748 0.415) 0.866 24.048 ( 17.436 15.183 -0.860) 23.136 24.304 ( 2.484 2.288 1.984) 3.917 24.579 ( 14.603 16.388 -0.827) 21.965 24.808 ( -3.549 2.118 0.097) 4.134 24.995 ( -2.573 -5.528 1.107) 6.197 25.062 ( -6.039 0.496 -1.079) 6.154 25.306 ( -4.913 -8.335 0.164) 9.677 25.358 ( -4.528 -5.278 -0.579) 6.978 26.930 ( 0.609 -0.474 1.933) 2.082 26.992 ( -2.363 -0.755 -2.871) 3.794 27.425 ( 2.837 0.114 5.012) 5.760 27.508 ( -1.032 -1.149 -3.926) 4.219 ======================= Grid point 166 (77/78) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 4.978 -6.446 -5.490) 9.822 1.712 ( -4.978 -6.446 5.490) 9.822 2.154 ( -18.760 1.567 -5.333) 19.566 2.154 ( 18.760 1.567 5.333) 19.566 2.416 ( -5.335 1.232 -13.463) 14.534 2.416 ( 5.335 1.232 13.463) 14.534 2.659 ( 4.286 -0.068 -2.994) 5.229 2.659 ( -4.286 -0.068 2.994) 5.229 3.232 ( 3.287 -5.464 -1.563) 6.565 3.232 ( -3.287 -5.464 1.563) 6.565 3.597 ( 0.582 9.774 -2.843) 10.196 3.597 ( -0.582 9.774 2.843) 10.196 3.863 ( 4.067 1.070 -15.545) 16.104 3.863 ( -4.067 1.070 15.545) 16.104 4.095 ( -4.751 -0.416 -5.312) 7.139 4.095 ( 4.751 -0.416 5.312) 7.139 4.444 ( -8.397 3.619 -1.951) 9.350 4.444 ( 8.397 3.619 1.951) 9.350 4.638 ( 0.805 2.406 -3.479) 4.306 4.638 ( -0.805 2.406 3.479) 4.306 4.958 ( 0.703 5.768 -2.669) 6.394 4.958 ( -0.703 5.768 2.669) 6.394 5.251 ( 3.692 0.606 -8.833) 9.593 5.251 ( -3.692 0.606 8.833) 9.593 5.413 ( -1.006 -4.018 -0.468) 4.169 5.413 ( 1.006 -4.018 0.468) 4.169 5.884 ( -6.624 1.454 -6.091) 9.115 5.884 ( 6.624 1.454 6.091) 9.115 6.197 ( -4.819 0.758 -3.720) 6.134 6.197 ( 4.819 0.758 3.720) 6.134 6.631 ( 1.386 2.561 -5.576) 6.290 6.631 ( -1.386 2.561 5.576) 6.290 6.955 ( -8.773 -1.233 -4.989) 10.168 6.955 ( 8.773 -1.233 4.989) 10.168 7.315 ( -1.287 2.045 -6.238) 6.690 7.315 ( 1.287 2.045 6.238) 6.690 7.556 ( -1.137 2.223 -4.605) 5.238 7.556 ( 1.137 2.223 4.605) 5.238 7.717 ( -2.250 4.569 -1.057) 5.202 7.717 ( 2.250 4.569 1.057) 5.202 7.893 ( 3.288 7.106 -4.645) 9.104 7.893 ( -3.288 7.106 4.645) 9.104 8.502 ( -3.644 -5.365 -5.820) 8.714 8.502 ( 3.644 -5.365 5.820) 8.714 8.901 ( 4.379 -5.084 -13.712) 15.266 8.901 ( -4.379 -5.084 13.712) 15.266 9.426 ( 3.867 6.544 -3.124) 8.218 9.426 ( -3.867 6.544 3.124) 8.218 9.776 ( -5.608 3.046 -5.194) 8.228 9.776 ( 5.608 3.046 5.194) 8.228 10.160 ( -3.268 -3.197 -6.881) 8.261 10.160 ( 3.268 -3.197 6.881) 8.261 10.397 ( -1.679 3.160 -3.053) 4.704 10.397 ( 1.679 3.160 3.053) 4.704 10.578 ( -0.005 -6.782 -9.082) 11.335 10.578 ( 0.005 -6.782 9.082) 11.335 10.841 ( -0.341 -6.227 -4.748) 7.838 10.841 ( 0.341 -6.227 4.748) 7.838 11.861 ( -3.747 -6.514 -8.753) 11.536 11.861 ( 3.747 -6.514 8.753) 11.536 12.436 ( 1.485 -4.682 -3.412) 5.980 12.436 ( -1.485 -4.682 3.412) 5.980 13.149 ( 1.018 1.527 -9.537) 9.712 13.149 ( -1.018 1.527 9.537) 9.712 13.337 ( 2.381 1.371 -10.017) 10.387 13.337 ( -2.381 1.371 10.017) 10.387 14.091 ( 1.491 0.010 -4.607) 4.842 14.091 ( -1.491 0.010 4.607) 4.842 14.537 ( 1.868 -3.458 -8.921) 9.749 14.537 ( -1.868 -3.458 8.921) 9.749 15.118 ( -2.378 -0.377 -0.851) 2.554 15.118 ( 2.378 -0.377 0.851) 2.554 15.621 ( 6.352 3.903 -4.250) 8.582 15.621 ( -6.352 3.903 4.250) 8.582 15.781 ( -3.869 3.459 -4.347) 6.770 15.781 ( 3.869 3.459 4.347) 6.770 16.276 ( -8.592 4.973 -8.540) 13.096 16.276 ( 8.592 4.973 8.540) 13.096 17.117 ( -1.632 -2.222 -9.949) 10.324 17.117 ( 1.632 -2.222 9.949) 10.324 18.471 ( 2.592 -0.220 -19.365) 19.539 18.471 ( -2.592 -0.220 19.365) 19.539 19.669 ( -3.862 -7.306 -1.394) 8.381 19.669 ( 3.862 -7.306 1.394) 8.381 20.604 ( -4.126 -6.092 -6.736) 9.975 20.604 ( 4.126 -6.092 6.736) 9.975 21.231 ( -3.542 -0.812 0.085) 3.635 21.231 ( 3.542 -0.812 -0.085) 3.635 21.745 ( 0.237 -1.797 -1.172) 2.158 21.745 ( -0.237 -1.797 1.172) 2.158 24.052 ( -15.107 15.189 0.310) 21.425 24.052 ( 15.107 15.189 -0.310) 21.425 24.562 ( -18.407 13.804 -0.459) 23.012 24.562 ( 18.407 13.804 0.459) 23.012 25.050 ( 1.224 -5.628 -1.404) 5.929 25.050 ( -1.224 -5.628 1.404) 5.929 25.422 ( 1.064 -7.336 -3.341) 8.131 25.422 ( -1.064 -7.336 3.341) 8.131 26.969 ( -1.626 -1.259 -3.127) 3.742 26.969 ( 1.626 -1.259 3.127) 3.742 27.483 ( -1.794 -0.493 -4.813) 5.161 27.483 ( 1.794 -0.493 4.813) 5.161 ======================= Grid point 175 (78/78) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -11.670 0.000 3.830) 12.283 1.569 ( 11.670 -0.000 -3.830) 12.283 2.168 ( -17.646 0.000 3.818) 18.054 2.168 ( 17.646 -0.000 -3.818) 18.054 2.473 ( -9.918 0.000 -14.215) 17.333 2.473 ( 9.918 -0.000 14.215) 17.333 2.612 ( -10.586 0.000 -5.054) 11.730 2.612 ( 10.585 -0.000 5.054) 11.730 3.146 ( 4.621 -0.000 -1.551) 4.874 3.146 ( -4.621 0.000 1.551) 4.874 3.760 ( -3.042 0.000 -1.873) 3.573 3.760 ( 3.042 -0.000 1.873) 3.573 3.884 ( 2.177 -0.000 -10.596) 10.817 3.884 ( -2.177 0.000 10.596) 10.817 4.082 ( -9.872 0.000 -4.484) 10.843 4.082 ( 9.872 -0.000 4.484) 10.843 4.527 ( 0.729 -0.000 -2.586) 2.687 4.527 ( -0.729 0.000 2.586) 2.687 4.661 ( -1.075 0.000 -6.874) 6.957 4.661 ( 1.075 -0.000 6.874) 6.957 5.067 ( 5.185 -0.000 -3.145) 6.064 5.067 ( -5.185 0.000 3.145) 6.064 5.237 ( -3.000 0.000 -0.431) 3.031 5.237 ( 3.000 -0.000 0.431) 3.031 5.351 ( -2.215 0.000 -2.110) 3.059 5.351 ( 2.215 -0.000 2.110) 3.059 5.917 ( -4.814 0.000 1.095) 4.937 5.917 ( 4.814 -0.000 -1.095) 4.937 6.220 ( -6.500 0.000 -8.967) 11.075 6.220 ( 6.500 -0.000 8.967) 11.075 6.672 ( 5.830 -0.000 -7.723) 9.676 6.672 ( -5.830 0.000 7.723) 9.676 6.919 ( -9.185 0.000 -0.946) 9.234 6.919 ( 9.185 -0.000 0.946) 9.234 7.336 ( -3.035 0.000 -7.018) 7.646 7.336 ( 3.035 -0.000 7.017) 7.646 7.591 ( 0.181 -0.000 -7.730) 7.732 7.591 ( -0.181 0.000 7.730) 7.732 7.781 ( -2.711 0.000 0.567) 2.770 7.781 ( 2.711 -0.000 -0.567) 2.769 8.089 ( -11.251 0.000 -1.834) 11.400 8.089 ( 11.251 -0.000 1.834) 11.400 8.363 ( -1.164 0.000 -3.614) 3.796 8.363 ( 1.164 -0.000 3.614) 3.796 8.809 ( 4.803 -0.000 -13.960) 14.763 8.809 ( -4.803 0.000 13.960) 14.763 9.545 ( -3.255 0.000 -3.726) 4.948 9.545 ( 3.255 -0.000 3.726) 4.948 9.806 ( -9.480 0.000 -1.006) 9.533 9.806 ( 9.480 -0.000 1.006) 9.533 10.181 ( 5.848 -0.000 -2.515) 6.366 10.181 ( -5.848 0.000 2.515) 6.366 10.261 ( -2.796 0.000 -2.938) 4.056 10.261 ( 2.796 -0.000 2.938) 4.056 10.632 ( -1.881 0.000 -3.515) 3.987 10.632 ( 1.881 -0.000 3.515) 3.987 10.707 ( -0.692 0.000 -6.248) 6.286 10.707 ( 0.692 -0.000 6.248) 6.286 11.763 ( -0.337 0.000 -10.004) 10.009 11.763 ( 0.337 -0.000 10.004) 10.009 12.364 ( 2.779 -0.000 -2.292) 3.603 12.364 ( -2.779 0.000 2.292) 3.603 13.181 ( 2.769 -0.000 -13.600) 13.879 13.181 ( -2.769 0.000 13.600) 13.879 13.354 ( 3.042 -0.000 -2.387) 3.867 13.354 ( -3.042 0.000 2.387) 3.867 14.084 ( 3.618 -0.000 -2.724) 4.528 14.084 ( -3.618 0.000 2.724) 4.528 14.485 ( 3.510 -0.000 -6.793) 7.646 14.485 ( -3.510 0.000 6.793) 7.646 15.109 ( 1.029 -0.000 -1.338) 1.688 15.109 ( -1.029 0.000 1.338) 1.688 15.677 ( 6.246 -0.000 -9.187) 11.109 15.677 ( -6.246 0.000 9.187) 11.109 15.828 ( -3.805 0.000 -9.520) 10.252 15.828 ( 3.805 -0.000 9.520) 10.252 16.357 ( -9.167 0.000 -3.221) 9.717 16.357 ( 9.167 -0.000 3.221) 9.717 17.095 ( -8.870 0.000 -6.015) 10.717 17.095 ( 8.870 -0.000 6.015) 10.717 18.475 ( 0.047 -0.000 -18.067) 18.067 18.475 ( -0.047 0.000 18.067) 18.067 19.532 ( -3.794 0.000 -5.220) 6.453 19.532 ( 3.794 -0.000 5.220) 6.453 20.516 ( -3.132 0.000 -9.975) 10.455 20.516 ( 3.132 -0.000 9.975) 10.455 21.219 ( -3.788 0.000 0.529) 3.825 21.219 ( 3.788 -0.000 -0.529) 3.825 21.721 ( 0.334 -0.000 -0.213) 0.396 21.721 ( -0.334 0.000 0.213) 0.396 24.325 ( 2.188 -0.000 -1.930) 2.917 24.325 ( -2.188 0.000 1.930) 2.917 24.809 ( -3.071 0.000 -1.054) 3.247 24.809 ( 3.071 -0.000 1.054) 3.247 24.989 ( -8.236 0.000 -1.372) 8.350 24.989 ( 8.236 -0.000 1.372) 8.350 25.218 ( -3.522 0.000 -1.360) 3.775 25.218 ( 3.522 -0.000 1.360) 3.775 26.949 ( -1.663 0.000 -2.744) 3.208 26.949 ( 1.663 -0.000 2.744) 3.208 27.470 ( -1.421 0.000 -5.388) 5.572 27.470 ( 1.421 -0.000 5.388) 5.572 =================== 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 3/26112 10.0 72.373 56.795 51.988 -0.000 19.526 -0.000 3/26112 20.0 12.593 8.610 9.091 -0.000 1.783 -0.000 3/26112 30.0 5.865 3.671 4.431 -0.000 0.817 -0.000 3/26112 40.0 3.762 2.249 2.951 -0.000 0.539 -0.000 3/26112 50.0 2.792 1.628 2.249 -0.000 0.406 -0.000 3/26112 60.0 2.250 1.293 1.847 -0.000 0.329 -0.000 3/26112 70.0 1.909 1.088 1.594 -0.000 0.279 -0.000 3/26112 80.0 1.677 0.951 1.422 -0.000 0.245 -0.000 3/26112 90.0 1.509 0.854 1.299 -0.000 0.220 -0.000 3/26112 100.0 1.381 0.782 1.208 -0.000 0.199 -0.000 3/26112 110.0 1.280 0.726 1.136 -0.000 0.183 -0.000 3/26112 120.0 1.197 0.682 1.079 -0.000 0.169 -0.000 3/26112 130.0 1.129 0.645 1.031 -0.000 0.157 -0.000 3/26112 140.0 1.071 0.615 0.990 -0.000 0.147 -0.000 3/26112 150.0 1.021 0.589 0.954 -0.000 0.138 -0.000 3/26112 160.0 0.978 0.567 0.922 -0.000 0.129 -0.000 3/26112 170.0 0.940 0.547 0.892 -0.000 0.122 -0.000 3/26112 180.0 0.906 0.530 0.865 -0.000 0.116 -0.000 3/26112 190.0 0.876 0.514 0.840 -0.000 0.110 -0.000 3/26112 200.0 0.849 0.500 0.816 -0.000 0.105 -0.000 3/26112 210.0 0.824 0.488 0.794 -0.000 0.100 -0.000 3/26112 220.0 0.802 0.476 0.772 -0.000 0.095 -0.000 3/26112 230.0 0.781 0.465 0.752 -0.000 0.091 -0.000 3/26112 240.0 0.762 0.455 0.733 -0.000 0.088 -0.000 3/26112 250.0 0.744 0.446 0.714 -0.000 0.084 -0.000 3/26112 260.0 0.727 0.437 0.697 -0.000 0.081 -0.000 3/26112 270.0 0.711 0.429 0.680 -0.000 0.078 -0.000 3/26112 280.0 0.696 0.421 0.664 -0.000 0.075 -0.000 3/26112 290.0 0.681 0.413 0.648 -0.000 0.073 -0.000 3/26112 300.0 0.668 0.406 0.633 -0.000 0.070 -0.000 3/26112 310.0 0.654 0.398 0.619 -0.000 0.068 -0.000 3/26112 320.0 0.642 0.392 0.605 -0.000 0.066 -0.000 3/26112 330.0 0.630 0.385 0.592 -0.000 0.064 -0.000 3/26112 340.0 0.618 0.378 0.579 -0.000 0.062 -0.000 3/26112 350.0 0.607 0.372 0.567 -0.000 0.061 -0.000 3/26112 360.0 0.596 0.366 0.555 -0.000 0.059 -0.000 3/26112 370.0 0.586 0.360 0.544 -0.000 0.057 -0.000 3/26112 380.0 0.575 0.354 0.533 -0.000 0.056 -0.000 3/26112 390.0 0.566 0.349 0.522 -0.000 0.055 -0.000 3/26112 400.0 0.556 0.343 0.512 -0.000 0.053 -0.000 3/26112 410.0 0.547 0.338 0.502 -0.000 0.052 -0.000 3/26112 420.0 0.538 0.333 0.493 -0.000 0.051 -0.000 3/26112 430.0 0.529 0.328 0.484 -0.000 0.050 -0.000 3/26112 440.0 0.521 0.323 0.475 -0.000 0.049 -0.000 3/26112 450.0 0.512 0.318 0.466 -0.000 0.048 -0.000 3/26112 460.0 0.504 0.313 0.458 -0.000 0.047 -0.000 3/26112 470.0 0.497 0.308 0.450 -0.000 0.046 -0.000 3/26112 480.0 0.489 0.304 0.442 -0.000 0.045 -0.000 3/26112 490.0 0.482 0.300 0.434 -0.000 0.044 -0.000 3/26112 500.0 0.474 0.295 0.427 -0.000 0.043 -0.000 3/26112 510.0 0.467 0.291 0.420 -0.000 0.042 -0.000 3/26112 520.0 0.460 0.287 0.413 -0.000 0.041 -0.000 3/26112 530.0 0.454 0.283 0.406 -0.000 0.041 -0.000 3/26112 540.0 0.447 0.279 0.400 -0.000 0.040 -0.000 3/26112 550.0 0.441 0.275 0.394 -0.000 0.039 -0.000 3/26112 560.0 0.435 0.272 0.388 -0.000 0.039 -0.000 3/26112 570.0 0.429 0.268 0.382 -0.000 0.038 -0.000 3/26112 580.0 0.423 0.264 0.376 -0.000 0.037 -0.000 3/26112 590.0 0.417 0.261 0.370 -0.000 0.037 -0.000 3/26112 600.0 0.412 0.257 0.365 -0.000 0.036 -0.000 3/26112 610.0 0.406 0.254 0.360 -0.000 0.035 -0.000 3/26112 620.0 0.401 0.251 0.355 -0.000 0.035 -0.000 3/26112 630.0 0.396 0.248 0.350 -0.000 0.034 -0.000 3/26112 640.0 0.391 0.245 0.345 -0.000 0.034 -0.000 3/26112 650.0 0.386 0.242 0.340 -0.000 0.033 -0.000 3/26112 660.0 0.381 0.239 0.335 -0.000 0.033 -0.000 3/26112 670.0 0.376 0.236 0.331 -0.000 0.032 -0.000 3/26112 680.0 0.371 0.233 0.326 -0.000 0.032 -0.000 3/26112 690.0 0.367 0.230 0.322 -0.000 0.031 -0.000 3/26112 700.0 0.362 0.227 0.318 -0.000 0.031 -0.000 3/26112 710.0 0.358 0.225 0.314 -0.000 0.031 -0.000 3/26112 720.0 0.354 0.222 0.310 -0.000 0.030 -0.000 3/26112 730.0 0.350 0.219 0.306 -0.000 0.030 -0.000 3/26112 740.0 0.346 0.217 0.302 -0.000 0.029 -0.000 3/26112 750.0 0.342 0.215 0.299 -0.000 0.029 -0.000 3/26112 760.0 0.338 0.212 0.295 -0.000 0.029 -0.000 3/26112 770.0 0.334 0.210 0.291 -0.000 0.028 -0.000 3/26112 780.0 0.330 0.207 0.288 -0.000 0.028 -0.000 3/26112 790.0 0.327 0.205 0.285 -0.000 0.028 -0.000 3/26112 800.0 0.323 0.203 0.281 -0.000 0.027 -0.000 3/26112 810.0 0.320 0.201 0.278 -0.000 0.027 -0.000 3/26112 820.0 0.316 0.199 0.275 -0.000 0.027 -0.000 3/26112 830.0 0.313 0.197 0.272 -0.000 0.026 -0.000 3/26112 840.0 0.310 0.195 0.269 -0.000 0.026 -0.000 3/26112 850.0 0.306 0.193 0.266 -0.000 0.026 -0.000 3/26112 860.0 0.303 0.191 0.263 -0.000 0.025 -0.000 3/26112 870.0 0.300 0.189 0.260 -0.000 0.025 -0.000 3/26112 880.0 0.297 0.187 0.258 -0.000 0.025 -0.000 3/26112 890.0 0.294 0.185 0.255 -0.000 0.025 -0.000 3/26112 900.0 0.291 0.183 0.252 -0.000 0.024 -0.000 3/26112 910.0 0.288 0.181 0.250 -0.000 0.024 -0.000 3/26112 920.0 0.285 0.180 0.247 -0.000 0.024 -0.000 3/26112 930.0 0.283 0.178 0.245 -0.000 0.024 -0.000 3/26112 940.0 0.280 0.176 0.242 -0.000 0.023 -0.000 3/26112 950.0 0.277 0.174 0.240 -0.000 0.023 -0.000 3/26112 960.0 0.275 0.173 0.237 -0.000 0.023 -0.000 3/26112 970.0 0.272 0.171 0.235 -0.000 0.023 -0.000 3/26112 980.0 0.270 0.170 0.233 -0.000 0.022 -0.000 3/26112 990.0 0.267 0.168 0.231 -0.000 0.022 -0.000 3/26112 1000.0 0.265 0.167 0.228 -0.000 0.022 -0.000 3/26112 Thermal conductivity related properties were written into "kappa-m884.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:48:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|