----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:37:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.128410410071581 0.000000000000000 0.000000000000000 b 0.000000000000000 5.735047239999999 0.000000000000000 c -5.753274689186562 0.000000000000000 10.828051883994775 Atomic positions (fractional): *1 F 0.28680044324144 0.53739681685188 0.92085727934569 18.998 2 F 0.71319955675856 0.03739681685188 0.57914272065431 18.998 3 F 0.71319955675856 0.46260318314812 0.07914272065431 18.998 4 F 0.28680044324144 0.96260318314812 0.42085727934569 18.998 *5 F 0.71786846584168 0.54382324292366 0.54704251556899 18.998 6 F 0.28213153415832 0.04382324292366 0.95295748443101 18.998 7 F 0.28213153415832 0.45617675707634 0.45295748443101 18.998 8 F 0.71786846584168 0.95617675707634 0.04704251556899 18.998 *9 F 0.47792515517926 0.23395980227471 0.86005600344155 18.998 10 F 0.52207484482074 0.73395980227471 0.63994399655845 18.998 11 F 0.52207484482074 0.76604019772529 0.13994399655845 18.998 12 F 0.47792515517926 0.26604019772529 0.36005600344155 18.998 *13 F 0.97430254863357 0.23919251200016 0.05772982621867 18.998 14 F 0.02569745136643 0.73919251200016 0.44227017378133 18.998 15 F 0.02569745136643 0.76080748799984 0.94227017378134 18.998 16 F 0.97430254863357 0.26080748799984 0.55772982621866 18.998 *17 F 0.26735435382904 0.01616512251371 0.64598460690124 18.998 18 F 0.73264564617096 0.51616512251371 0.85401539309876 18.998 19 F 0.73264564617096 0.98383487748629 0.35401539309876 18.998 20 F 0.26735435382904 0.48383487748629 0.14598460690124 18.998 *21 F 0.25478085510282 0.96143009396195 0.17081119737686 18.998 22 F 0.74521914489718 0.46143009396195 0.32918880262314 18.998 23 F 0.74521914489718 0.03856990603805 0.82918880262314 18.998 24 F 0.25478085510282 0.53856990603805 0.67081119737686 18.998 *25 F 0.03133705143903 0.58064934266355 0.23371665728929 18.998 26 F 0.96866294856097 0.08064934266355 0.26628334271071 18.998 27 F 0.96866294856097 0.41935065733645 0.76628334271071 18.998 28 F 0.03133705143903 0.91935065733645 0.73371665728929 18.998 *29 Zr 0.72643576660673 0.25480602345013 0.45569887279589 91.224 30 Zr 0.27356423339327 0.75480602345013 0.04430112720411 91.224 31 Zr 0.27356423339327 0.74519397654987 0.54430112720411 91.224 32 Zr 0.72643576660673 0.24519397654987 0.95569887279589 91.224 *33 Sm 0.18611534944688 0.25717716973700 0.26640008689359 150.360 34 Sm 0.81388465055312 0.75717716973700 0.23359991310641 150.360 35 Sm 0.81388465055312 0.74282283026300 0.73359991310641 150.360 36 Sm 0.18611534944688 0.24282283026300 0.76640008689359 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.128410410071581 0.000000000000000 0.000000000000000 b 0.000000000000000 5.735047239999999 0.000000000000000 c -5.753274689186562 0.000000000000000 10.828051883994775 Atomic positions (fractional): *1 F 0.28680044324144 0.53739681685188 0.92085727934569 18.998 > 1 2 F 0.71319955675856 0.03739681685188 0.57914272065431 18.998 > 2 3 F 0.71319955675856 0.46260318314812 0.07914272065431 18.998 > 3 4 F 0.28680044324144 0.96260318314812 0.42085727934569 18.998 > 4 *5 F 0.71786846584168 0.54382324292366 0.54704251556899 18.998 > 5 6 F 0.28213153415832 0.04382324292366 0.95295748443101 18.998 > 6 7 F 0.28213153415832 0.45617675707634 0.45295748443101 18.998 > 7 8 F 0.71786846584168 0.95617675707634 0.04704251556899 18.998 > 8 *9 F 0.47792515517926 0.23395980227471 0.86005600344155 18.998 > 9 10 F 0.52207484482074 0.73395980227471 0.63994399655845 18.998 > 10 11 F 0.52207484482074 0.76604019772529 0.13994399655845 18.998 > 11 12 F 0.47792515517926 0.26604019772529 0.36005600344155 18.998 > 12 *13 F 0.97430254863357 0.23919251200016 0.05772982621867 18.998 > 13 14 F 0.02569745136643 0.73919251200016 0.44227017378133 18.998 > 14 15 F 0.02569745136643 0.76080748799984 0.94227017378134 18.998 > 15 16 F 0.97430254863357 0.26080748799984 0.55772982621866 18.998 > 16 *17 F 0.26735435382904 0.01616512251371 0.64598460690124 18.998 > 17 18 F 0.73264564617096 0.51616512251371 0.85401539309876 18.998 > 18 19 F 0.73264564617096 0.98383487748629 0.35401539309876 18.998 > 19 20 F 0.26735435382904 0.48383487748629 0.14598460690124 18.998 > 20 *21 F 0.25478085510282 0.96143009396195 0.17081119737686 18.998 > 21 22 F 0.74521914489718 0.46143009396195 0.32918880262314 18.998 > 22 23 F 0.74521914489718 0.03856990603805 0.82918880262314 18.998 > 23 24 F 0.25478085510282 0.53856990603805 0.67081119737686 18.998 > 24 *25 F 0.03133705143903 0.58064934266355 0.23371665728929 18.998 > 25 26 F 0.96866294856097 0.08064934266355 0.26628334271071 18.998 > 26 27 F 0.96866294856097 0.41935065733645 0.76628334271071 18.998 > 27 28 F 0.03133705143903 0.91935065733645 0.73371665728929 18.998 > 28 *29 Zr 0.72643576660673 0.25480602345013 0.45569887279589 91.224 > 29 30 Zr 0.27356423339327 0.75480602345013 0.04430112720411 91.224 > 30 31 Zr 0.27356423339327 0.74519397654987 0.54430112720411 91.224 > 31 32 Zr 0.72643576660673 0.24519397654987 0.95569887279589 91.224 > 32 *33 Sm 0.18611534944688 0.25717716973700 0.26640008689359 150.360 > 33 34 Sm 0.81388465055312 0.75717716973700 0.23359991310641 150.360 > 34 35 Sm 0.81388465055312 0.74282283026300 0.73359991310641 150.360 > 35 36 Sm 0.18611534944688 0.24282283026300 0.76640008689359 150.360 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.256820820143162 0.000000000000000 0.000000000000000 b 0.000000000000000 11.470094479999998 0.000000000000000 c -5.753274689186562 0.000000000000000 10.828051883994775 Atomic positions (fractional): *1 F 0.14340022162072 0.26869840842594 0.92085727934569 18.998 > 1 2 F 0.64340022162072 0.26869840842594 0.92085727934569 18.998 > 1 3 F 0.14340022162072 0.76869840842594 0.92085727934569 18.998 > 1 4 F 0.64340022162072 0.76869840842594 0.92085727934569 18.998 > 1 5 F 0.35659977837928 0.01869840842594 0.57914272065431 18.998 > 2 6 F 0.85659977837928 0.01869840842594 0.57914272065431 18.998 > 2 7 F 0.35659977837928 0.51869840842594 0.57914272065431 18.998 > 2 8 F 0.85659977837928 0.51869840842594 0.57914272065431 18.998 > 2 9 F 0.35659977837928 0.23130159157406 0.07914272065431 18.998 > 3 10 F 0.85659977837928 0.23130159157406 0.07914272065431 18.998 > 3 11 F 0.35659977837928 0.73130159157406 0.07914272065431 18.998 > 3 12 F 0.85659977837928 0.73130159157406 0.07914272065431 18.998 > 3 13 F 0.14340022162072 0.48130159157406 0.42085727934569 18.998 > 4 14 F 0.64340022162072 0.48130159157406 0.42085727934569 18.998 > 4 15 F 0.14340022162072 0.98130159157406 0.42085727934569 18.998 > 4 16 F 0.64340022162072 0.98130159157406 0.42085727934569 18.998 > 4 *17 F 0.35893423292084 0.27191162146183 0.54704251556899 18.998 > 5 18 F 0.85893423292084 0.27191162146183 0.54704251556899 18.998 > 5 19 F 0.35893423292084 0.77191162146183 0.54704251556899 18.998 > 5 20 F 0.85893423292084 0.77191162146183 0.54704251556899 18.998 > 5 21 F 0.14106576707916 0.02191162146183 0.95295748443101 18.998 > 6 22 F 0.64106576707916 0.02191162146183 0.95295748443101 18.998 > 6 23 F 0.14106576707916 0.52191162146183 0.95295748443101 18.998 > 6 24 F 0.64106576707916 0.52191162146183 0.95295748443101 18.998 > 6 25 F 0.14106576707916 0.22808837853817 0.45295748443101 18.998 > 7 26 F 0.64106576707916 0.22808837853817 0.45295748443101 18.998 > 7 27 F 0.14106576707916 0.72808837853817 0.45295748443101 18.998 > 7 28 F 0.64106576707916 0.72808837853817 0.45295748443101 18.998 > 7 29 F 0.35893423292084 0.47808837853817 0.04704251556899 18.998 > 8 30 F 0.85893423292084 0.47808837853817 0.04704251556899 18.998 > 8 31 F 0.35893423292084 0.97808837853817 0.04704251556899 18.998 > 8 32 F 0.85893423292084 0.97808837853817 0.04704251556899 18.998 > 8 *33 F 0.23896257758963 0.11697990113736 0.86005600344155 18.998 > 9 34 F 0.73896257758963 0.11697990113736 0.86005600344155 18.998 > 9 35 F 0.23896257758963 0.61697990113736 0.86005600344155 18.998 > 9 36 F 0.73896257758963 0.61697990113736 0.86005600344155 18.998 > 9 37 F 0.26103742241037 0.36697990113736 0.63994399655845 18.998 > 10 38 F 0.76103742241037 0.36697990113736 0.63994399655845 18.998 > 10 39 F 0.26103742241037 0.86697990113736 0.63994399655845 18.998 > 10 40 F 0.76103742241037 0.86697990113736 0.63994399655845 18.998 > 10 41 F 0.26103742241037 0.38302009886264 0.13994399655845 18.998 > 11 42 F 0.76103742241037 0.38302009886264 0.13994399655845 18.998 > 11 43 F 0.26103742241037 0.88302009886264 0.13994399655845 18.998 > 11 44 F 0.76103742241037 0.88302009886264 0.13994399655845 18.998 > 11 45 F 0.23896257758963 0.13302009886264 0.36005600344155 18.998 > 12 46 F 0.73896257758963 0.13302009886264 0.36005600344155 18.998 > 12 47 F 0.23896257758963 0.63302009886264 0.36005600344155 18.998 > 12 48 F 0.73896257758963 0.63302009886264 0.36005600344155 18.998 > 12 *49 F 0.48715127431678 0.11959625600008 0.05772982621867 18.998 > 13 50 F 0.98715127431678 0.11959625600008 0.05772982621867 18.998 > 13 51 F 0.48715127431678 0.61959625600008 0.05772982621867 18.998 > 13 52 F 0.98715127431678 0.61959625600008 0.05772982621867 18.998 > 13 53 F 0.01284872568322 0.36959625600008 0.44227017378133 18.998 > 14 54 F 0.51284872568322 0.36959625600008 0.44227017378133 18.998 > 14 55 F 0.01284872568322 0.86959625600008 0.44227017378133 18.998 > 14 56 F 0.51284872568322 0.86959625600008 0.44227017378133 18.998 > 14 57 F 0.01284872568322 0.38040374399992 0.94227017378134 18.998 > 15 58 F 0.51284872568322 0.38040374399992 0.94227017378134 18.998 > 15 59 F 0.01284872568322 0.88040374399992 0.94227017378134 18.998 > 15 60 F 0.51284872568322 0.88040374399992 0.94227017378134 18.998 > 15 61 F 0.48715127431678 0.13040374399992 0.55772982621866 18.998 > 16 62 F 0.98715127431678 0.13040374399992 0.55772982621866 18.998 > 16 63 F 0.48715127431678 0.63040374399992 0.55772982621866 18.998 > 16 64 F 0.98715127431678 0.63040374399992 0.55772982621866 18.998 > 16 *65 F 0.13367717691452 0.00808256125686 0.64598460690124 18.998 > 17 66 F 0.63367717691452 0.00808256125686 0.64598460690124 18.998 > 17 67 F 0.13367717691452 0.50808256125686 0.64598460690124 18.998 > 17 68 F 0.63367717691452 0.50808256125686 0.64598460690124 18.998 > 17 69 F 0.36632282308548 0.25808256125686 0.85401539309876 18.998 > 18 70 F 0.86632282308548 0.25808256125686 0.85401539309876 18.998 > 18 71 F 0.36632282308548 0.75808256125686 0.85401539309876 18.998 > 18 72 F 0.86632282308548 0.75808256125686 0.85401539309876 18.998 > 18 73 F 0.36632282308548 0.49191743874314 0.35401539309876 18.998 > 19 74 F 0.86632282308548 0.49191743874314 0.35401539309876 18.998 > 19 75 F 0.36632282308548 0.99191743874314 0.35401539309876 18.998 > 19 76 F 0.86632282308548 0.99191743874314 0.35401539309876 18.998 > 19 77 F 0.13367717691452 0.24191743874314 0.14598460690124 18.998 > 20 78 F 0.63367717691452 0.24191743874314 0.14598460690124 18.998 > 20 79 F 0.13367717691452 0.74191743874314 0.14598460690124 18.998 > 20 80 F 0.63367717691452 0.74191743874314 0.14598460690124 18.998 > 20 *81 F 0.12739042755141 0.48071504698097 0.17081119737686 18.998 > 21 82 F 0.62739042755141 0.48071504698097 0.17081119737686 18.998 > 21 83 F 0.12739042755141 0.98071504698097 0.17081119737686 18.998 > 21 84 F 0.62739042755141 0.98071504698097 0.17081119737686 18.998 > 21 85 F 0.37260957244859 0.23071504698097 0.32918880262314 18.998 > 22 86 F 0.87260957244859 0.23071504698097 0.32918880262314 18.998 > 22 87 F 0.37260957244859 0.73071504698097 0.32918880262314 18.998 > 22 88 F 0.87260957244859 0.73071504698097 0.32918880262314 18.998 > 22 89 F 0.37260957244859 0.01928495301903 0.82918880262314 18.998 > 23 90 F 0.87260957244859 0.01928495301903 0.82918880262314 18.998 > 23 91 F 0.37260957244859 0.51928495301903 0.82918880262314 18.998 > 23 92 F 0.87260957244859 0.51928495301903 0.82918880262314 18.998 > 23 93 F 0.12739042755141 0.26928495301903 0.67081119737686 18.998 > 24 94 F 0.62739042755141 0.26928495301903 0.67081119737686 18.998 > 24 95 F 0.12739042755141 0.76928495301903 0.67081119737686 18.998 > 24 96 F 0.62739042755141 0.76928495301903 0.67081119737686 18.998 > 24 *97 F 0.01566852571952 0.29032467133177 0.23371665728929 18.998 > 25 98 F 0.51566852571952 0.29032467133177 0.23371665728929 18.998 > 25 99 F 0.01566852571952 0.79032467133177 0.23371665728929 18.998 > 25 100 F 0.51566852571952 0.79032467133177 0.23371665728929 18.998 > 25 101 F 0.48433147428048 0.04032467133177 0.26628334271071 18.998 > 26 102 F 0.98433147428048 0.04032467133177 0.26628334271071 18.998 > 26 103 F 0.48433147428048 0.54032467133177 0.26628334271071 18.998 > 26 104 F 0.98433147428048 0.54032467133177 0.26628334271071 18.998 > 26 105 F 0.48433147428048 0.20967532866823 0.76628334271071 18.998 > 27 106 F 0.98433147428048 0.20967532866823 0.76628334271071 18.998 > 27 107 F 0.48433147428048 0.70967532866823 0.76628334271071 18.998 > 27 108 F 0.98433147428048 0.70967532866823 0.76628334271071 18.998 > 27 109 F 0.01566852571952 0.45967532866823 0.73371665728929 18.998 > 28 110 F 0.51566852571952 0.45967532866823 0.73371665728929 18.998 > 28 111 F 0.01566852571952 0.95967532866823 0.73371665728929 18.998 > 28 112 F 0.51566852571952 0.95967532866823 0.73371665728929 18.998 > 28 *113 Zr 0.36321788330336 0.12740301172506 0.45569887279589 91.224 > 29 114 Zr 0.86321788330336 0.12740301172506 0.45569887279589 91.224 > 29 115 Zr 0.36321788330336 0.62740301172506 0.45569887279589 91.224 > 29 116 Zr 0.86321788330336 0.62740301172506 0.45569887279589 91.224 > 29 117 Zr 0.13678211669664 0.37740301172506 0.04430112720411 91.224 > 30 118 Zr 0.63678211669664 0.37740301172506 0.04430112720411 91.224 > 30 119 Zr 0.13678211669664 0.87740301172506 0.04430112720411 91.224 > 30 120 Zr 0.63678211669664 0.87740301172506 0.04430112720411 91.224 > 30 121 Zr 0.13678211669664 0.37259698827494 0.54430112720411 91.224 > 31 122 Zr 0.63678211669664 0.37259698827494 0.54430112720411 91.224 > 31 123 Zr 0.13678211669664 0.87259698827494 0.54430112720411 91.224 > 31 124 Zr 0.63678211669664 0.87259698827494 0.54430112720411 91.224 > 31 125 Zr 0.36321788330336 0.12259698827494 0.95569887279589 91.224 > 32 126 Zr 0.86321788330336 0.12259698827494 0.95569887279589 91.224 > 32 127 Zr 0.36321788330336 0.62259698827494 0.95569887279589 91.224 > 32 128 Zr 0.86321788330336 0.62259698827494 0.95569887279589 91.224 > 32 *129 Sm 0.09305767472344 0.12858858486850 0.26640008689359 150.360 > 33 130 Sm 0.59305767472344 0.12858858486850 0.26640008689359 150.360 > 33 131 Sm 0.09305767472344 0.62858858486850 0.26640008689359 150.360 > 33 132 Sm 0.59305767472344 0.62858858486850 0.26640008689359 150.360 > 33 133 Sm 0.40694232527656 0.37858858486850 0.23359991310641 150.360 > 34 134 Sm 0.90694232527656 0.37858858486850 0.23359991310641 150.360 > 34 135 Sm 0.40694232527656 0.87858858486850 0.23359991310641 150.360 > 34 136 Sm 0.90694232527656 0.87858858486850 0.23359991310641 150.360 > 34 137 Sm 0.40694232527656 0.37141141513150 0.73359991310641 150.360 > 35 138 Sm 0.90694232527656 0.37141141513150 0.73359991310641 150.360 > 35 139 Sm 0.40694232527656 0.87141141513150 0.73359991310641 150.360 > 35 140 Sm 0.90694232527656 0.87141141513150 0.73359991310641 150.360 > 35 141 Sm 0.09305767472344 0.12141141513150 0.76640008689359 150.360 > 36 142 Sm 0.59305767472344 0.12141141513150 0.76640008689359 150.360 > 36 143 Sm 0.09305767472344 0.62141141513150 0.76640008689359 150.360 > 36 144 Sm 0.59305767472344 0.62141141513150 0.76640008689359 150.360 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3649069 0.0000000 0.0163381 0.0000000 2.3642684 0.0000000 0.0163386 0.0000000 2.3741976 -------------------------- Born effective charges -------------------------- 1 F -0.7959695 0.3351655 0.3289307 0.3478572 -1.4632515 -0.8708572 0.3081282 -0.8433559 -1.4975012 2 F -0.7959695 -0.3351655 0.3289307 -0.3478572 -1.4632515 0.8708572 0.3081282 0.8433559 -1.4975012 3 F -0.7959695 0.3351655 0.3289307 0.3478572 -1.4632515 -0.8708572 0.3081282 -0.8433559 -1.4975012 4 F -0.7959695 -0.3351655 0.3289307 -0.3478572 -1.4632515 0.8708572 0.3081282 0.8433559 -1.4975012 5 F -0.7270775 0.3354761 0.2362979 0.3217088 -1.6090751 -0.8443894 0.2183153 -0.8410916 -1.4447667 6 F -0.7270775 -0.3354761 0.2362979 -0.3217088 -1.6090751 0.8443894 0.2183153 0.8410916 -1.4447667 7 F -0.7270775 0.3354761 0.2362979 0.3217088 -1.6090751 -0.8443894 0.2183153 -0.8410916 -1.4447667 8 F -0.7270775 -0.3354761 0.2362979 -0.3217088 -1.6090751 0.8443894 0.2183153 0.8410916 -1.4447667 9 F -2.2488188 -0.0339739 -0.8919363 -0.0162325 -0.6153643 -0.0155764 -0.9227037 -0.0132952 -1.1448266 10 F -2.2488188 0.0339739 -0.8919363 0.0162325 -0.6153643 0.0155764 -0.9227037 0.0132952 -1.1448266 11 F -2.2488188 -0.0339739 -0.8919363 -0.0162325 -0.6153643 -0.0155764 -0.9227037 -0.0132952 -1.1448266 12 F -2.2488188 0.0339739 -0.8919363 0.0162325 -0.6153643 0.0155764 -0.9227037 0.0132952 -1.1448266 13 F -1.4379703 0.0244271 -0.7391439 -0.0266801 -0.6263000 -0.0305735 -0.7413535 -0.0003994 -1.5353268 14 F -1.4379703 -0.0244271 -0.7391439 0.0266801 -0.6263000 0.0305735 -0.7413535 0.0003994 -1.5353268 15 F -1.4379703 0.0244271 -0.7391439 -0.0266801 -0.6263000 -0.0305735 -0.7413535 -0.0003994 -1.5353268 16 F -1.4379703 -0.0244271 -0.7391439 0.0266801 -0.6263000 0.0305735 -0.7413535 0.0003994 -1.5353268 17 F -1.0329968 0.5962631 0.4854579 0.6007103 -1.6024254 -0.7990389 0.4794744 -0.7747238 -1.2472636 18 F -1.0329968 -0.5962631 0.4854579 -0.6007103 -1.6024254 0.7990389 0.4794744 0.7747238 -1.2472636 19 F -1.0329968 0.5962631 0.4854579 0.6007103 -1.6024254 -0.7990389 0.4794744 -0.7747238 -1.2472636 20 F -1.0329968 -0.5962631 0.4854579 -0.6007103 -1.6024254 0.7990389 0.4794744 0.7747238 -1.2472636 21 F -1.0935308 0.6272276 0.5685980 0.6434439 -1.4975314 -0.7874183 0.5822548 -0.7706571 -1.3668174 22 F -1.0935308 -0.6272276 0.5685980 -0.6434439 -1.4975314 0.7874183 0.5822548 0.7706571 -1.3668174 23 F -1.0935308 0.6272276 0.5685980 0.6434439 -1.4975314 -0.7874183 0.5822548 -0.7706571 -1.3668174 24 F -1.0935308 -0.6272276 0.5685980 -0.6434439 -1.4975314 0.7874183 0.5822548 0.7706571 -1.3668174 25 F -1.4945012 0.7015502 -0.0951018 0.7501943 -1.4447854 0.0563886 -0.0413024 0.0224793 -0.7485110 26 F -1.4945012 -0.7015502 -0.0951018 -0.7501943 -1.4447854 -0.0563886 -0.0413024 -0.0224793 -0.7485110 27 F -1.4945012 0.7015502 -0.0951018 0.7501943 -1.4447854 0.0563886 -0.0413024 0.0224793 -0.7485110 28 F -1.4945012 -0.7015502 -0.0951018 -0.7501943 -1.4447854 -0.0563886 -0.0413024 -0.0224793 -0.7485110 29 Zr 4.6884602 -0.0570421 -0.0034597 0.0746527 4.7158813 -0.1090285 0.0901676 0.1330415 4.8816950 30 Zr 4.6884602 0.0570421 -0.0034597 -0.0746527 4.7158813 0.1090285 0.0901676 -0.1330415 4.8816950 31 Zr 4.6884602 -0.0570421 -0.0034597 0.0746527 4.7158813 -0.1090285 0.0901676 0.1330415 4.8816950 32 Zr 4.6884602 0.0570421 -0.0034597 -0.0746527 4.7158813 0.1090285 0.0901676 -0.1330415 4.8816950 33 Sm 4.1424046 -0.1244385 0.1103572 0.0871354 4.1428519 -0.0445671 0.0270192 -0.0202537 4.1033183 34 Sm 4.1424046 0.1244385 0.1103572 -0.0871354 4.1428519 0.0445671 0.0270192 0.0202537 4.1033183 35 Sm 4.1424046 -0.1244385 0.1103572 0.0871354 4.1428519 -0.0445671 0.0270192 -0.0202537 4.1033183 36 Sm 4.1424046 0.1244385 0.1103572 -0.0871354 4.1428519 0.0445671 0.0270192 0.0202537 4.1033183 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (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 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 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: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 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: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 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: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 1120 - Time: 2.321 Solver_block: 200 / 1120 - Time: 1.983 Solver_block: 300 / 1120 - Time: 2.254 Solver_block: 400 / 1120 - Time: 2.064 Solver_block: 500 / 1120 - Time: 2.350 Solver_block: 600 / 1120 - Time: 2.228 Solver_block: 700 / 1120 - Time: 2.340 Solver_block: 800 / 1120 - Time: 2.360 Solver_block: 900 / 1120 - Time: 2.272 Solver_block: 1000 / 1120 - Time: 2.116 Solver_block: 1100 / 1120 - Time: 2.099 Solver_block: 1120 / 1120 - Time: 0.520 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 25.729 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (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 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 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: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 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: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 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: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:39:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:39:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.128410410071581 0.000000000000000 0.000000000000000 b 0.000000000000000 5.735047239999999 0.000000000000000 c -5.753274689186562 0.000000000000000 10.828051883994775 Atomic positions (fractional): 1 F 0.28680044324144 0.53739681685188 0.92085727934569 18.998 2 F 0.71319955675856 0.03739681685188 0.57914272065431 18.998 3 F 0.71319955675856 0.46260318314812 0.07914272065431 18.998 4 F 0.28680044324144 0.96260318314812 0.42085727934569 18.998 5 F 0.71786846584168 0.54382324292366 0.54704251556899 18.998 6 F 0.28213153415832 0.04382324292366 0.95295748443101 18.998 7 F 0.28213153415832 0.45617675707634 0.45295748443101 18.998 8 F 0.71786846584168 0.95617675707634 0.04704251556899 18.998 9 F 0.47792515517926 0.23395980227471 0.86005600344155 18.998 10 F 0.52207484482074 0.73395980227471 0.63994399655845 18.998 11 F 0.52207484482074 0.76604019772529 0.13994399655845 18.998 12 F 0.47792515517926 0.26604019772529 0.36005600344155 18.998 13 F 0.97430254863357 0.23919251200016 0.05772982621867 18.998 14 F 0.02569745136643 0.73919251200016 0.44227017378133 18.998 15 F 0.02569745136643 0.76080748799984 0.94227017378134 18.998 16 F 0.97430254863357 0.26080748799984 0.55772982621866 18.998 17 F 0.26735435382904 0.01616512251371 0.64598460690124 18.998 18 F 0.73264564617096 0.51616512251371 0.85401539309876 18.998 19 F 0.73264564617096 0.98383487748629 0.35401539309876 18.998 20 F 0.26735435382904 0.48383487748629 0.14598460690124 18.998 21 F 0.25478085510282 0.96143009396195 0.17081119737686 18.998 22 F 0.74521914489718 0.46143009396195 0.32918880262314 18.998 23 F 0.74521914489718 0.03856990603805 0.82918880262314 18.998 24 F 0.25478085510282 0.53856990603805 0.67081119737686 18.998 25 F 0.03133705143903 0.58064934266355 0.23371665728929 18.998 26 F 0.96866294856097 0.08064934266355 0.26628334271071 18.998 27 F 0.96866294856097 0.41935065733645 0.76628334271071 18.998 28 F 0.03133705143903 0.91935065733645 0.73371665728929 18.998 29 Zr 0.72643576660673 0.25480602345013 0.45569887279589 91.224 30 Zr 0.27356423339327 0.75480602345013 0.04430112720411 91.224 31 Zr 0.27356423339327 0.74519397654987 0.54430112720411 91.224 32 Zr 0.72643576660673 0.24519397654987 0.95569887279589 91.224 33 Sm 0.18611534944688 0.25717716973700 0.26640008689359 150.360 34 Sm 0.81388465055312 0.75717716973700 0.23359991310641 150.360 35 Sm 0.81388465055312 0.74282283026300 0.73359991310641 150.360 36 Sm 0.18611534944688 0.24282283026300 0.76640008689359 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.256820820143162 0.000000000000000 0.000000000000000 b 0.000000000000000 11.470094479999998 0.000000000000000 c -5.753274689186562 0.000000000000000 10.828051883994775 Atomic positions (fractional): 1 F 0.14340022162072 0.26869840842594 0.92085727934569 18.998 > 1 2 F 0.64340022162072 0.26869840842594 0.92085727934569 18.998 > 1 3 F 0.14340022162072 0.76869840842594 0.92085727934569 18.998 > 1 4 F 0.64340022162072 0.76869840842594 0.92085727934569 18.998 > 1 5 F 0.35659977837928 0.01869840842594 0.57914272065431 18.998 > 5 6 F 0.85659977837928 0.01869840842594 0.57914272065431 18.998 > 5 7 F 0.35659977837928 0.51869840842594 0.57914272065431 18.998 > 5 8 F 0.85659977837928 0.51869840842594 0.57914272065431 18.998 > 5 9 F 0.35659977837928 0.23130159157406 0.07914272065431 18.998 > 9 10 F 0.85659977837928 0.23130159157406 0.07914272065431 18.998 > 9 11 F 0.35659977837928 0.73130159157406 0.07914272065431 18.998 > 9 12 F 0.85659977837928 0.73130159157406 0.07914272065431 18.998 > 9 13 F 0.14340022162072 0.48130159157406 0.42085727934569 18.998 > 13 14 F 0.64340022162072 0.48130159157406 0.42085727934569 18.998 > 13 15 F 0.14340022162072 0.98130159157406 0.42085727934569 18.998 > 13 16 F 0.64340022162072 0.98130159157406 0.42085727934569 18.998 > 13 17 F 0.35893423292084 0.27191162146183 0.54704251556899 18.998 > 17 18 F 0.85893423292084 0.27191162146183 0.54704251556899 18.998 > 17 19 F 0.35893423292084 0.77191162146183 0.54704251556899 18.998 > 17 20 F 0.85893423292084 0.77191162146183 0.54704251556899 18.998 > 17 21 F 0.14106576707916 0.02191162146183 0.95295748443101 18.998 > 21 22 F 0.64106576707916 0.02191162146183 0.95295748443101 18.998 > 21 23 F 0.14106576707916 0.52191162146183 0.95295748443101 18.998 > 21 24 F 0.64106576707916 0.52191162146183 0.95295748443101 18.998 > 21 25 F 0.14106576707916 0.22808837853817 0.45295748443101 18.998 > 25 26 F 0.64106576707916 0.22808837853817 0.45295748443101 18.998 > 25 27 F 0.14106576707916 0.72808837853817 0.45295748443101 18.998 > 25 28 F 0.64106576707916 0.72808837853817 0.45295748443101 18.998 > 25 29 F 0.35893423292084 0.47808837853817 0.04704251556899 18.998 > 29 30 F 0.85893423292084 0.47808837853817 0.04704251556899 18.998 > 29 31 F 0.35893423292084 0.97808837853817 0.04704251556899 18.998 > 29 32 F 0.85893423292084 0.97808837853817 0.04704251556899 18.998 > 29 33 F 0.23896257758963 0.11697990113736 0.86005600344155 18.998 > 33 34 F 0.73896257758963 0.11697990113736 0.86005600344155 18.998 > 33 35 F 0.23896257758963 0.61697990113736 0.86005600344155 18.998 > 33 36 F 0.73896257758963 0.61697990113736 0.86005600344155 18.998 > 33 37 F 0.26103742241037 0.36697990113736 0.63994399655845 18.998 > 37 38 F 0.76103742241037 0.36697990113736 0.63994399655845 18.998 > 37 39 F 0.26103742241037 0.86697990113736 0.63994399655845 18.998 > 37 40 F 0.76103742241037 0.86697990113736 0.63994399655845 18.998 > 37 41 F 0.26103742241037 0.38302009886264 0.13994399655845 18.998 > 41 42 F 0.76103742241037 0.38302009886264 0.13994399655845 18.998 > 41 43 F 0.26103742241037 0.88302009886264 0.13994399655845 18.998 > 41 44 F 0.76103742241037 0.88302009886264 0.13994399655845 18.998 > 41 45 F 0.23896257758963 0.13302009886264 0.36005600344155 18.998 > 45 46 F 0.73896257758963 0.13302009886264 0.36005600344155 18.998 > 45 47 F 0.23896257758963 0.63302009886264 0.36005600344155 18.998 > 45 48 F 0.73896257758963 0.63302009886264 0.36005600344155 18.998 > 45 49 F 0.48715127431678 0.11959625600008 0.05772982621867 18.998 > 49 50 F 0.98715127431678 0.11959625600008 0.05772982621867 18.998 > 49 51 F 0.48715127431678 0.61959625600008 0.05772982621867 18.998 > 49 52 F 0.98715127431678 0.61959625600008 0.05772982621867 18.998 > 49 53 F 0.01284872568322 0.36959625600008 0.44227017378133 18.998 > 53 54 F 0.51284872568322 0.36959625600008 0.44227017378133 18.998 > 53 55 F 0.01284872568322 0.86959625600008 0.44227017378133 18.998 > 53 56 F 0.51284872568322 0.86959625600008 0.44227017378133 18.998 > 53 57 F 0.01284872568322 0.38040374399992 0.94227017378134 18.998 > 57 58 F 0.51284872568322 0.38040374399992 0.94227017378134 18.998 > 57 59 F 0.01284872568322 0.88040374399992 0.94227017378134 18.998 > 57 60 F 0.51284872568322 0.88040374399992 0.94227017378134 18.998 > 57 61 F 0.48715127431678 0.13040374399992 0.55772982621866 18.998 > 61 62 F 0.98715127431678 0.13040374399992 0.55772982621866 18.998 > 61 63 F 0.48715127431678 0.63040374399992 0.55772982621866 18.998 > 61 64 F 0.98715127431678 0.63040374399992 0.55772982621866 18.998 > 61 65 F 0.13367717691452 0.00808256125686 0.64598460690124 18.998 > 65 66 F 0.63367717691452 0.00808256125686 0.64598460690124 18.998 > 65 67 F 0.13367717691452 0.50808256125686 0.64598460690124 18.998 > 65 68 F 0.63367717691452 0.50808256125686 0.64598460690124 18.998 > 65 69 F 0.36632282308548 0.25808256125686 0.85401539309876 18.998 > 69 70 F 0.86632282308548 0.25808256125686 0.85401539309876 18.998 > 69 71 F 0.36632282308548 0.75808256125686 0.85401539309876 18.998 > 69 72 F 0.86632282308548 0.75808256125686 0.85401539309876 18.998 > 69 73 F 0.36632282308548 0.49191743874314 0.35401539309876 18.998 > 73 74 F 0.86632282308548 0.49191743874314 0.35401539309876 18.998 > 73 75 F 0.36632282308548 0.99191743874314 0.35401539309876 18.998 > 73 76 F 0.86632282308548 0.99191743874314 0.35401539309876 18.998 > 73 77 F 0.13367717691452 0.24191743874314 0.14598460690124 18.998 > 77 78 F 0.63367717691452 0.24191743874314 0.14598460690124 18.998 > 77 79 F 0.13367717691452 0.74191743874314 0.14598460690124 18.998 > 77 80 F 0.63367717691452 0.74191743874314 0.14598460690124 18.998 > 77 81 F 0.12739042755141 0.48071504698097 0.17081119737686 18.998 > 81 82 F 0.62739042755141 0.48071504698097 0.17081119737686 18.998 > 81 83 F 0.12739042755141 0.98071504698097 0.17081119737686 18.998 > 81 84 F 0.62739042755141 0.98071504698097 0.17081119737686 18.998 > 81 85 F 0.37260957244859 0.23071504698097 0.32918880262314 18.998 > 85 86 F 0.87260957244859 0.23071504698097 0.32918880262314 18.998 > 85 87 F 0.37260957244859 0.73071504698097 0.32918880262314 18.998 > 85 88 F 0.87260957244859 0.73071504698097 0.32918880262314 18.998 > 85 89 F 0.37260957244859 0.01928495301903 0.82918880262314 18.998 > 89 90 F 0.87260957244859 0.01928495301903 0.82918880262314 18.998 > 89 91 F 0.37260957244859 0.51928495301903 0.82918880262314 18.998 > 89 92 F 0.87260957244859 0.51928495301903 0.82918880262314 18.998 > 89 93 F 0.12739042755141 0.26928495301903 0.67081119737686 18.998 > 93 94 F 0.62739042755141 0.26928495301903 0.67081119737686 18.998 > 93 95 F 0.12739042755141 0.76928495301903 0.67081119737686 18.998 > 93 96 F 0.62739042755141 0.76928495301903 0.67081119737686 18.998 > 93 97 F 0.01566852571952 0.29032467133177 0.23371665728929 18.998 > 97 98 F 0.51566852571952 0.29032467133177 0.23371665728929 18.998 > 97 99 F 0.01566852571952 0.79032467133177 0.23371665728929 18.998 > 97 100 F 0.51566852571952 0.79032467133177 0.23371665728929 18.998 > 97 101 F 0.48433147428048 0.04032467133177 0.26628334271071 18.998 > 101 102 F 0.98433147428048 0.04032467133177 0.26628334271071 18.998 > 101 103 F 0.48433147428048 0.54032467133177 0.26628334271071 18.998 > 101 104 F 0.98433147428048 0.54032467133177 0.26628334271071 18.998 > 101 105 F 0.48433147428048 0.20967532866823 0.76628334271071 18.998 > 105 106 F 0.98433147428048 0.20967532866823 0.76628334271071 18.998 > 105 107 F 0.48433147428048 0.70967532866823 0.76628334271071 18.998 > 105 108 F 0.98433147428048 0.70967532866823 0.76628334271071 18.998 > 105 109 F 0.01566852571952 0.45967532866823 0.73371665728929 18.998 > 109 110 F 0.51566852571952 0.45967532866823 0.73371665728929 18.998 > 109 111 F 0.01566852571952 0.95967532866823 0.73371665728929 18.998 > 109 112 F 0.51566852571952 0.95967532866823 0.73371665728929 18.998 > 109 113 Zr 0.36321788330336 0.12740301172506 0.45569887279589 91.224 > 113 114 Zr 0.86321788330336 0.12740301172506 0.45569887279589 91.224 > 113 115 Zr 0.36321788330336 0.62740301172506 0.45569887279589 91.224 > 113 116 Zr 0.86321788330336 0.62740301172506 0.45569887279589 91.224 > 113 117 Zr 0.13678211669664 0.37740301172506 0.04430112720411 91.224 > 117 118 Zr 0.63678211669664 0.37740301172506 0.04430112720411 91.224 > 117 119 Zr 0.13678211669664 0.87740301172506 0.04430112720411 91.224 > 117 120 Zr 0.63678211669664 0.87740301172506 0.04430112720411 91.224 > 117 121 Zr 0.13678211669664 0.37259698827494 0.54430112720411 91.224 > 121 122 Zr 0.63678211669664 0.37259698827494 0.54430112720411 91.224 > 121 123 Zr 0.13678211669664 0.87259698827494 0.54430112720411 91.224 > 121 124 Zr 0.63678211669664 0.87259698827494 0.54430112720411 91.224 > 121 125 Zr 0.36321788330336 0.12259698827494 0.95569887279589 91.224 > 125 126 Zr 0.86321788330336 0.12259698827494 0.95569887279589 91.224 > 125 127 Zr 0.36321788330336 0.62259698827494 0.95569887279589 91.224 > 125 128 Zr 0.86321788330336 0.62259698827494 0.95569887279589 91.224 > 125 129 Sm 0.09305767472344 0.12858858486850 0.26640008689359 150.360 > 129 130 Sm 0.59305767472344 0.12858858486850 0.26640008689359 150.360 > 129 131 Sm 0.09305767472344 0.62858858486850 0.26640008689359 150.360 > 129 132 Sm 0.59305767472344 0.62858858486850 0.26640008689359 150.360 > 129 133 Sm 0.40694232527656 0.37858858486850 0.23359991310641 150.360 > 133 134 Sm 0.90694232527656 0.37858858486850 0.23359991310641 150.360 > 133 135 Sm 0.40694232527656 0.87858858486850 0.23359991310641 150.360 > 133 136 Sm 0.90694232527656 0.87858858486850 0.23359991310641 150.360 > 133 137 Sm 0.40694232527656 0.37141141513150 0.73359991310641 150.360 > 137 138 Sm 0.90694232527656 0.37141141513150 0.73359991310641 150.360 > 137 139 Sm 0.40694232527656 0.87141141513150 0.73359991310641 150.360 > 137 140 Sm 0.90694232527656 0.87141141513150 0.73359991310641 150.360 > 137 141 Sm 0.09305767472344 0.12141141513150 0.76640008689359 150.360 > 141 142 Sm 0.59305767472344 0.12141141513150 0.76640008689359 150.360 > 141 143 Sm 0.09305767472344 0.62141141513150 0.76640008689359 150.360 > 141 144 Sm 0.59305767472344 0.62141141513150 0.76640008689359 150.360 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3649069 0.0000000 0.0163381 0.0000000 2.3642684 0.0000000 0.0163386 0.0000000 2.3741976 -------------------------- Born effective charges -------------------------- 1 F -0.7959695 0.3351655 0.3289307 0.3478572 -1.4632515 -0.8708572 0.3081282 -0.8433559 -1.4975012 2 F -0.7959695 -0.3351655 0.3289307 -0.3478572 -1.4632515 0.8708572 0.3081282 0.8433559 -1.4975012 3 F -0.7959695 0.3351655 0.3289307 0.3478572 -1.4632515 -0.8708572 0.3081282 -0.8433559 -1.4975012 4 F -0.7959695 -0.3351655 0.3289307 -0.3478572 -1.4632515 0.8708572 0.3081282 0.8433559 -1.4975012 5 F -0.7270775 0.3354761 0.2362979 0.3217088 -1.6090751 -0.8443894 0.2183153 -0.8410916 -1.4447667 6 F -0.7270775 -0.3354761 0.2362979 -0.3217088 -1.6090751 0.8443894 0.2183153 0.8410916 -1.4447667 7 F -0.7270775 0.3354761 0.2362979 0.3217088 -1.6090751 -0.8443894 0.2183153 -0.8410916 -1.4447667 8 F -0.7270775 -0.3354761 0.2362979 -0.3217088 -1.6090751 0.8443894 0.2183153 0.8410916 -1.4447667 9 F -2.2488188 -0.0339739 -0.8919363 -0.0162325 -0.6153643 -0.0155764 -0.9227037 -0.0132952 -1.1448266 10 F -2.2488188 0.0339739 -0.8919363 0.0162325 -0.6153643 0.0155764 -0.9227037 0.0132952 -1.1448266 11 F -2.2488188 -0.0339739 -0.8919363 -0.0162325 -0.6153643 -0.0155764 -0.9227037 -0.0132952 -1.1448266 12 F -2.2488188 0.0339739 -0.8919363 0.0162325 -0.6153643 0.0155764 -0.9227037 0.0132952 -1.1448266 13 F -1.4379703 0.0244271 -0.7391439 -0.0266801 -0.6263000 -0.0305735 -0.7413535 -0.0003994 -1.5353268 14 F -1.4379703 -0.0244271 -0.7391439 0.0266801 -0.6263000 0.0305735 -0.7413535 0.0003994 -1.5353268 15 F -1.4379703 0.0244271 -0.7391439 -0.0266801 -0.6263000 -0.0305735 -0.7413535 -0.0003994 -1.5353268 16 F -1.4379703 -0.0244271 -0.7391439 0.0266801 -0.6263000 0.0305735 -0.7413535 0.0003994 -1.5353268 17 F -1.0329968 0.5962631 0.4854579 0.6007103 -1.6024254 -0.7990389 0.4794744 -0.7747238 -1.2472636 18 F -1.0329968 -0.5962631 0.4854579 -0.6007103 -1.6024254 0.7990389 0.4794744 0.7747238 -1.2472636 19 F -1.0329968 0.5962631 0.4854579 0.6007103 -1.6024254 -0.7990389 0.4794744 -0.7747238 -1.2472636 20 F -1.0329968 -0.5962631 0.4854579 -0.6007103 -1.6024254 0.7990389 0.4794744 0.7747238 -1.2472636 21 F -1.0935308 0.6272276 0.5685980 0.6434439 -1.4975314 -0.7874183 0.5822548 -0.7706571 -1.3668174 22 F -1.0935308 -0.6272276 0.5685980 -0.6434439 -1.4975314 0.7874183 0.5822548 0.7706571 -1.3668174 23 F -1.0935308 0.6272276 0.5685980 0.6434439 -1.4975314 -0.7874183 0.5822548 -0.7706571 -1.3668174 24 F -1.0935308 -0.6272276 0.5685980 -0.6434439 -1.4975314 0.7874183 0.5822548 0.7706571 -1.3668174 25 F -1.4945012 0.7015502 -0.0951018 0.7501943 -1.4447854 0.0563886 -0.0413024 0.0224793 -0.7485110 26 F -1.4945012 -0.7015502 -0.0951018 -0.7501943 -1.4447854 -0.0563886 -0.0413024 -0.0224793 -0.7485110 27 F -1.4945012 0.7015502 -0.0951018 0.7501943 -1.4447854 0.0563886 -0.0413024 0.0224793 -0.7485110 28 F -1.4945012 -0.7015502 -0.0951018 -0.7501943 -1.4447854 -0.0563886 -0.0413024 -0.0224793 -0.7485110 29 Zr 4.6884602 -0.0570421 -0.0034597 0.0746527 4.7158813 -0.1090285 0.0901676 0.1330415 4.8816950 30 Zr 4.6884602 0.0570421 -0.0034597 -0.0746527 4.7158813 0.1090285 0.0901676 -0.1330415 4.8816950 31 Zr 4.6884602 -0.0570421 -0.0034597 0.0746527 4.7158813 -0.1090285 0.0901676 0.1330415 4.8816950 32 Zr 4.6884602 0.0570421 -0.0034597 -0.0746527 4.7158813 0.1090285 0.0901676 -0.1330415 4.8816950 33 Sm 4.1424046 -0.1244385 0.1103572 0.0871354 4.1428519 -0.0445671 0.0270192 -0.0202537 4.1033183 34 Sm 4.1424046 0.1244385 0.1103572 -0.0871354 4.1428519 0.0445671 0.0270192 0.0202537 4.1033183 35 Sm 4.1424046 -0.1244385 0.1103572 0.0871354 4.1428519 -0.0445671 0.0270192 -0.0202537 4.1033183 36 Sm 4.1424046 0.1244385 0.1103572 -0.0871354 4.1428519 0.0445671 0.0270192 0.0202537 4.1033183 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 113, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 129, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzz) 0.00000000 (xzz) 0.00000000 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) 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 04:40:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:40:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.128410410071581 0.000000000000000 0.000000000000000 b 0.000000000000000 5.735047239999999 0.000000000000000 c -5.753274689186562 0.000000000000000 10.828051883994775 Atomic positions (fractional): 1 F 0.28680044324144 0.53739681685188 0.92085727934569 18.998 2 F 0.71319955675856 0.03739681685188 0.57914272065431 18.998 3 F 0.71319955675856 0.46260318314812 0.07914272065431 18.998 4 F 0.28680044324144 0.96260318314812 0.42085727934569 18.998 5 F 0.71786846584168 0.54382324292366 0.54704251556899 18.998 6 F 0.28213153415832 0.04382324292366 0.95295748443101 18.998 7 F 0.28213153415832 0.45617675707634 0.45295748443101 18.998 8 F 0.71786846584168 0.95617675707634 0.04704251556899 18.998 9 F 0.47792515517926 0.23395980227471 0.86005600344155 18.998 10 F 0.52207484482074 0.73395980227471 0.63994399655845 18.998 11 F 0.52207484482074 0.76604019772529 0.13994399655845 18.998 12 F 0.47792515517926 0.26604019772529 0.36005600344155 18.998 13 F 0.97430254863357 0.23919251200016 0.05772982621867 18.998 14 F 0.02569745136643 0.73919251200016 0.44227017378133 18.998 15 F 0.02569745136643 0.76080748799984 0.94227017378134 18.998 16 F 0.97430254863357 0.26080748799984 0.55772982621866 18.998 17 F 0.26735435382904 0.01616512251371 0.64598460690124 18.998 18 F 0.73264564617096 0.51616512251371 0.85401539309876 18.998 19 F 0.73264564617096 0.98383487748629 0.35401539309876 18.998 20 F 0.26735435382904 0.48383487748629 0.14598460690124 18.998 21 F 0.25478085510282 0.96143009396195 0.17081119737686 18.998 22 F 0.74521914489718 0.46143009396195 0.32918880262314 18.998 23 F 0.74521914489718 0.03856990603805 0.82918880262314 18.998 24 F 0.25478085510282 0.53856990603805 0.67081119737686 18.998 25 F 0.03133705143903 0.58064934266355 0.23371665728929 18.998 26 F 0.96866294856097 0.08064934266355 0.26628334271071 18.998 27 F 0.96866294856097 0.41935065733645 0.76628334271071 18.998 28 F 0.03133705143903 0.91935065733645 0.73371665728929 18.998 29 Zr 0.72643576660673 0.25480602345013 0.45569887279589 91.224 30 Zr 0.27356423339327 0.75480602345013 0.04430112720411 91.224 31 Zr 0.27356423339327 0.74519397654987 0.54430112720411 91.224 32 Zr 0.72643576660673 0.24519397654987 0.95569887279589 91.224 33 Sm 0.18611534944688 0.25717716973700 0.26640008689359 150.360 34 Sm 0.81388465055312 0.75717716973700 0.23359991310641 150.360 35 Sm 0.81388465055312 0.74282283026300 0.73359991310641 150.360 36 Sm 0.18611534944688 0.24282283026300 0.76640008689359 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.256820820143162 0.000000000000000 0.000000000000000 b 0.000000000000000 11.470094479999998 0.000000000000000 c -5.753274689186562 0.000000000000000 10.828051883994775 Atomic positions (fractional): 1 F 0.14340022162072 0.26869840842594 0.92085727934569 18.998 > 1 2 F 0.64340022162072 0.26869840842594 0.92085727934569 18.998 > 1 3 F 0.14340022162072 0.76869840842594 0.92085727934569 18.998 > 1 4 F 0.64340022162072 0.76869840842594 0.92085727934569 18.998 > 1 5 F 0.35659977837928 0.01869840842594 0.57914272065431 18.998 > 5 6 F 0.85659977837928 0.01869840842594 0.57914272065431 18.998 > 5 7 F 0.35659977837928 0.51869840842594 0.57914272065431 18.998 > 5 8 F 0.85659977837928 0.51869840842594 0.57914272065431 18.998 > 5 9 F 0.35659977837928 0.23130159157406 0.07914272065431 18.998 > 9 10 F 0.85659977837928 0.23130159157406 0.07914272065431 18.998 > 9 11 F 0.35659977837928 0.73130159157406 0.07914272065431 18.998 > 9 12 F 0.85659977837928 0.73130159157406 0.07914272065431 18.998 > 9 13 F 0.14340022162072 0.48130159157406 0.42085727934569 18.998 > 13 14 F 0.64340022162072 0.48130159157406 0.42085727934569 18.998 > 13 15 F 0.14340022162072 0.98130159157406 0.42085727934569 18.998 > 13 16 F 0.64340022162072 0.98130159157406 0.42085727934569 18.998 > 13 17 F 0.35893423292084 0.27191162146183 0.54704251556899 18.998 > 17 18 F 0.85893423292084 0.27191162146183 0.54704251556899 18.998 > 17 19 F 0.35893423292084 0.77191162146183 0.54704251556899 18.998 > 17 20 F 0.85893423292084 0.77191162146183 0.54704251556899 18.998 > 17 21 F 0.14106576707916 0.02191162146183 0.95295748443101 18.998 > 21 22 F 0.64106576707916 0.02191162146183 0.95295748443101 18.998 > 21 23 F 0.14106576707916 0.52191162146183 0.95295748443101 18.998 > 21 24 F 0.64106576707916 0.52191162146183 0.95295748443101 18.998 > 21 25 F 0.14106576707916 0.22808837853817 0.45295748443101 18.998 > 25 26 F 0.64106576707916 0.22808837853817 0.45295748443101 18.998 > 25 27 F 0.14106576707916 0.72808837853817 0.45295748443101 18.998 > 25 28 F 0.64106576707916 0.72808837853817 0.45295748443101 18.998 > 25 29 F 0.35893423292084 0.47808837853817 0.04704251556899 18.998 > 29 30 F 0.85893423292084 0.47808837853817 0.04704251556899 18.998 > 29 31 F 0.35893423292084 0.97808837853817 0.04704251556899 18.998 > 29 32 F 0.85893423292084 0.97808837853817 0.04704251556899 18.998 > 29 33 F 0.23896257758963 0.11697990113736 0.86005600344155 18.998 > 33 34 F 0.73896257758963 0.11697990113736 0.86005600344155 18.998 > 33 35 F 0.23896257758963 0.61697990113736 0.86005600344155 18.998 > 33 36 F 0.73896257758963 0.61697990113736 0.86005600344155 18.998 > 33 37 F 0.26103742241037 0.36697990113736 0.63994399655845 18.998 > 37 38 F 0.76103742241037 0.36697990113736 0.63994399655845 18.998 > 37 39 F 0.26103742241037 0.86697990113736 0.63994399655845 18.998 > 37 40 F 0.76103742241037 0.86697990113736 0.63994399655845 18.998 > 37 41 F 0.26103742241037 0.38302009886264 0.13994399655845 18.998 > 41 42 F 0.76103742241037 0.38302009886264 0.13994399655845 18.998 > 41 43 F 0.26103742241037 0.88302009886264 0.13994399655845 18.998 > 41 44 F 0.76103742241037 0.88302009886264 0.13994399655845 18.998 > 41 45 F 0.23896257758963 0.13302009886264 0.36005600344155 18.998 > 45 46 F 0.73896257758963 0.13302009886264 0.36005600344155 18.998 > 45 47 F 0.23896257758963 0.63302009886264 0.36005600344155 18.998 > 45 48 F 0.73896257758963 0.63302009886264 0.36005600344155 18.998 > 45 49 F 0.48715127431678 0.11959625600008 0.05772982621867 18.998 > 49 50 F 0.98715127431678 0.11959625600008 0.05772982621867 18.998 > 49 51 F 0.48715127431678 0.61959625600008 0.05772982621867 18.998 > 49 52 F 0.98715127431678 0.61959625600008 0.05772982621867 18.998 > 49 53 F 0.01284872568322 0.36959625600008 0.44227017378133 18.998 > 53 54 F 0.51284872568322 0.36959625600008 0.44227017378133 18.998 > 53 55 F 0.01284872568322 0.86959625600008 0.44227017378133 18.998 > 53 56 F 0.51284872568322 0.86959625600008 0.44227017378133 18.998 > 53 57 F 0.01284872568322 0.38040374399992 0.94227017378134 18.998 > 57 58 F 0.51284872568322 0.38040374399992 0.94227017378134 18.998 > 57 59 F 0.01284872568322 0.88040374399992 0.94227017378134 18.998 > 57 60 F 0.51284872568322 0.88040374399992 0.94227017378134 18.998 > 57 61 F 0.48715127431678 0.13040374399992 0.55772982621866 18.998 > 61 62 F 0.98715127431678 0.13040374399992 0.55772982621866 18.998 > 61 63 F 0.48715127431678 0.63040374399992 0.55772982621866 18.998 > 61 64 F 0.98715127431678 0.63040374399992 0.55772982621866 18.998 > 61 65 F 0.13367717691452 0.00808256125686 0.64598460690124 18.998 > 65 66 F 0.63367717691452 0.00808256125686 0.64598460690124 18.998 > 65 67 F 0.13367717691452 0.50808256125686 0.64598460690124 18.998 > 65 68 F 0.63367717691452 0.50808256125686 0.64598460690124 18.998 > 65 69 F 0.36632282308548 0.25808256125686 0.85401539309876 18.998 > 69 70 F 0.86632282308548 0.25808256125686 0.85401539309876 18.998 > 69 71 F 0.36632282308548 0.75808256125686 0.85401539309876 18.998 > 69 72 F 0.86632282308548 0.75808256125686 0.85401539309876 18.998 > 69 73 F 0.36632282308548 0.49191743874314 0.35401539309876 18.998 > 73 74 F 0.86632282308548 0.49191743874314 0.35401539309876 18.998 > 73 75 F 0.36632282308548 0.99191743874314 0.35401539309876 18.998 > 73 76 F 0.86632282308548 0.99191743874314 0.35401539309876 18.998 > 73 77 F 0.13367717691452 0.24191743874314 0.14598460690124 18.998 > 77 78 F 0.63367717691452 0.24191743874314 0.14598460690124 18.998 > 77 79 F 0.13367717691452 0.74191743874314 0.14598460690124 18.998 > 77 80 F 0.63367717691452 0.74191743874314 0.14598460690124 18.998 > 77 81 F 0.12739042755141 0.48071504698097 0.17081119737686 18.998 > 81 82 F 0.62739042755141 0.48071504698097 0.17081119737686 18.998 > 81 83 F 0.12739042755141 0.98071504698097 0.17081119737686 18.998 > 81 84 F 0.62739042755141 0.98071504698097 0.17081119737686 18.998 > 81 85 F 0.37260957244859 0.23071504698097 0.32918880262314 18.998 > 85 86 F 0.87260957244859 0.23071504698097 0.32918880262314 18.998 > 85 87 F 0.37260957244859 0.73071504698097 0.32918880262314 18.998 > 85 88 F 0.87260957244859 0.73071504698097 0.32918880262314 18.998 > 85 89 F 0.37260957244859 0.01928495301903 0.82918880262314 18.998 > 89 90 F 0.87260957244859 0.01928495301903 0.82918880262314 18.998 > 89 91 F 0.37260957244859 0.51928495301903 0.82918880262314 18.998 > 89 92 F 0.87260957244859 0.51928495301903 0.82918880262314 18.998 > 89 93 F 0.12739042755141 0.26928495301903 0.67081119737686 18.998 > 93 94 F 0.62739042755141 0.26928495301903 0.67081119737686 18.998 > 93 95 F 0.12739042755141 0.76928495301903 0.67081119737686 18.998 > 93 96 F 0.62739042755141 0.76928495301903 0.67081119737686 18.998 > 93 97 F 0.01566852571952 0.29032467133177 0.23371665728929 18.998 > 97 98 F 0.51566852571952 0.29032467133177 0.23371665728929 18.998 > 97 99 F 0.01566852571952 0.79032467133177 0.23371665728929 18.998 > 97 100 F 0.51566852571952 0.79032467133177 0.23371665728929 18.998 > 97 101 F 0.48433147428048 0.04032467133177 0.26628334271071 18.998 > 101 102 F 0.98433147428048 0.04032467133177 0.26628334271071 18.998 > 101 103 F 0.48433147428048 0.54032467133177 0.26628334271071 18.998 > 101 104 F 0.98433147428048 0.54032467133177 0.26628334271071 18.998 > 101 105 F 0.48433147428048 0.20967532866823 0.76628334271071 18.998 > 105 106 F 0.98433147428048 0.20967532866823 0.76628334271071 18.998 > 105 107 F 0.48433147428048 0.70967532866823 0.76628334271071 18.998 > 105 108 F 0.98433147428048 0.70967532866823 0.76628334271071 18.998 > 105 109 F 0.01566852571952 0.45967532866823 0.73371665728929 18.998 > 109 110 F 0.51566852571952 0.45967532866823 0.73371665728929 18.998 > 109 111 F 0.01566852571952 0.95967532866823 0.73371665728929 18.998 > 109 112 F 0.51566852571952 0.95967532866823 0.73371665728929 18.998 > 109 113 Zr 0.36321788330336 0.12740301172506 0.45569887279589 91.224 > 113 114 Zr 0.86321788330336 0.12740301172506 0.45569887279589 91.224 > 113 115 Zr 0.36321788330336 0.62740301172506 0.45569887279589 91.224 > 113 116 Zr 0.86321788330336 0.62740301172506 0.45569887279589 91.224 > 113 117 Zr 0.13678211669664 0.37740301172506 0.04430112720411 91.224 > 117 118 Zr 0.63678211669664 0.37740301172506 0.04430112720411 91.224 > 117 119 Zr 0.13678211669664 0.87740301172506 0.04430112720411 91.224 > 117 120 Zr 0.63678211669664 0.87740301172506 0.04430112720411 91.224 > 117 121 Zr 0.13678211669664 0.37259698827494 0.54430112720411 91.224 > 121 122 Zr 0.63678211669664 0.37259698827494 0.54430112720411 91.224 > 121 123 Zr 0.13678211669664 0.87259698827494 0.54430112720411 91.224 > 121 124 Zr 0.63678211669664 0.87259698827494 0.54430112720411 91.224 > 121 125 Zr 0.36321788330336 0.12259698827494 0.95569887279589 91.224 > 125 126 Zr 0.86321788330336 0.12259698827494 0.95569887279589 91.224 > 125 127 Zr 0.36321788330336 0.62259698827494 0.95569887279589 91.224 > 125 128 Zr 0.86321788330336 0.62259698827494 0.95569887279589 91.224 > 125 129 Sm 0.09305767472344 0.12858858486850 0.26640008689359 150.360 > 129 130 Sm 0.59305767472344 0.12858858486850 0.26640008689359 150.360 > 129 131 Sm 0.09305767472344 0.62858858486850 0.26640008689359 150.360 > 129 132 Sm 0.59305767472344 0.62858858486850 0.26640008689359 150.360 > 129 133 Sm 0.40694232527656 0.37858858486850 0.23359991310641 150.360 > 133 134 Sm 0.90694232527656 0.37858858486850 0.23359991310641 150.360 > 133 135 Sm 0.40694232527656 0.87858858486850 0.23359991310641 150.360 > 133 136 Sm 0.90694232527656 0.87858858486850 0.23359991310641 150.360 > 133 137 Sm 0.40694232527656 0.37141141513150 0.73359991310641 150.360 > 137 138 Sm 0.90694232527656 0.37141141513150 0.73359991310641 150.360 > 137 139 Sm 0.40694232527656 0.87141141513150 0.73359991310641 150.360 > 137 140 Sm 0.90694232527656 0.87141141513150 0.73359991310641 150.360 > 137 141 Sm 0.09305767472344 0.12141141513150 0.76640008689359 150.360 > 141 142 Sm 0.59305767472344 0.12141141513150 0.76640008689359 150.360 > 141 143 Sm 0.09305767472344 0.62141141513150 0.76640008689359 150.360 > 141 144 Sm 0.59305767472344 0.62141141513150 0.76640008689359 150.360 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3649069 0.0000000 0.0163381 0.0000000 2.3642684 0.0000000 0.0163386 0.0000000 2.3741976 -------------------------- Born effective charges -------------------------- 1 F -0.7959695 0.3351655 0.3289307 0.3478572 -1.4632515 -0.8708572 0.3081282 -0.8433559 -1.4975012 2 F -0.7959695 -0.3351655 0.3289307 -0.3478572 -1.4632515 0.8708572 0.3081282 0.8433559 -1.4975012 3 F -0.7959695 0.3351655 0.3289307 0.3478572 -1.4632515 -0.8708572 0.3081282 -0.8433559 -1.4975012 4 F -0.7959695 -0.3351655 0.3289307 -0.3478572 -1.4632515 0.8708572 0.3081282 0.8433559 -1.4975012 5 F -0.7270775 0.3354761 0.2362979 0.3217088 -1.6090751 -0.8443894 0.2183153 -0.8410916 -1.4447667 6 F -0.7270775 -0.3354761 0.2362979 -0.3217088 -1.6090751 0.8443894 0.2183153 0.8410916 -1.4447667 7 F -0.7270775 0.3354761 0.2362979 0.3217088 -1.6090751 -0.8443894 0.2183153 -0.8410916 -1.4447667 8 F -0.7270775 -0.3354761 0.2362979 -0.3217088 -1.6090751 0.8443894 0.2183153 0.8410916 -1.4447667 9 F -2.2488188 -0.0339739 -0.8919363 -0.0162325 -0.6153643 -0.0155764 -0.9227037 -0.0132952 -1.1448266 10 F -2.2488188 0.0339739 -0.8919363 0.0162325 -0.6153643 0.0155764 -0.9227037 0.0132952 -1.1448266 11 F -2.2488188 -0.0339739 -0.8919363 -0.0162325 -0.6153643 -0.0155764 -0.9227037 -0.0132952 -1.1448266 12 F -2.2488188 0.0339739 -0.8919363 0.0162325 -0.6153643 0.0155764 -0.9227037 0.0132952 -1.1448266 13 F -1.4379703 0.0244271 -0.7391439 -0.0266801 -0.6263000 -0.0305735 -0.7413535 -0.0003994 -1.5353268 14 F -1.4379703 -0.0244271 -0.7391439 0.0266801 -0.6263000 0.0305735 -0.7413535 0.0003994 -1.5353268 15 F -1.4379703 0.0244271 -0.7391439 -0.0266801 -0.6263000 -0.0305735 -0.7413535 -0.0003994 -1.5353268 16 F -1.4379703 -0.0244271 -0.7391439 0.0266801 -0.6263000 0.0305735 -0.7413535 0.0003994 -1.5353268 17 F -1.0329968 0.5962631 0.4854579 0.6007103 -1.6024254 -0.7990389 0.4794744 -0.7747238 -1.2472636 18 F -1.0329968 -0.5962631 0.4854579 -0.6007103 -1.6024254 0.7990389 0.4794744 0.7747238 -1.2472636 19 F -1.0329968 0.5962631 0.4854579 0.6007103 -1.6024254 -0.7990389 0.4794744 -0.7747238 -1.2472636 20 F -1.0329968 -0.5962631 0.4854579 -0.6007103 -1.6024254 0.7990389 0.4794744 0.7747238 -1.2472636 21 F -1.0935308 0.6272276 0.5685980 0.6434439 -1.4975314 -0.7874183 0.5822548 -0.7706571 -1.3668174 22 F -1.0935308 -0.6272276 0.5685980 -0.6434439 -1.4975314 0.7874183 0.5822548 0.7706571 -1.3668174 23 F -1.0935308 0.6272276 0.5685980 0.6434439 -1.4975314 -0.7874183 0.5822548 -0.7706571 -1.3668174 24 F -1.0935308 -0.6272276 0.5685980 -0.6434439 -1.4975314 0.7874183 0.5822548 0.7706571 -1.3668174 25 F -1.4945012 0.7015502 -0.0951018 0.7501943 -1.4447854 0.0563886 -0.0413024 0.0224793 -0.7485110 26 F -1.4945012 -0.7015502 -0.0951018 -0.7501943 -1.4447854 -0.0563886 -0.0413024 -0.0224793 -0.7485110 27 F -1.4945012 0.7015502 -0.0951018 0.7501943 -1.4447854 0.0563886 -0.0413024 0.0224793 -0.7485110 28 F -1.4945012 -0.7015502 -0.0951018 -0.7501943 -1.4447854 -0.0563886 -0.0413024 -0.0224793 -0.7485110 29 Zr 4.6884602 -0.0570421 -0.0034597 0.0746527 4.7158813 -0.1090285 0.0901676 0.1330415 4.8816950 30 Zr 4.6884602 0.0570421 -0.0034597 -0.0746527 4.7158813 0.1090285 0.0901676 -0.1330415 4.8816950 31 Zr 4.6884602 -0.0570421 -0.0034597 0.0746527 4.7158813 -0.1090285 0.0901676 0.1330415 4.8816950 32 Zr 4.6884602 0.0570421 -0.0034597 -0.0746527 4.7158813 0.1090285 0.0901676 -0.1330415 4.8816950 33 Sm 4.1424046 -0.1244385 0.1103572 0.0871354 4.1428519 -0.0445671 0.0270192 -0.0202537 4.1033183 34 Sm 4.1424046 0.1244385 0.1103572 -0.0871354 4.1428519 0.0445671 0.0270192 0.0202537 4.1033183 35 Sm 4.1424046 -0.1244385 0.1103572 0.0871354 4.1428519 -0.0445671 0.0270192 -0.0202537 4.1033183 36 Sm 4.1424046 0.1244385 0.1103572 -0.0871354 4.1428519 0.0445671 0.0270192 0.0202537 4.1033183 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzz) 0.00000000 (xzz) 0.00000000 (xzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 5 ] 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: 0.50, Number of G-points: 303, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 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 1.532 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.607 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 5.028 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.566 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 6.875 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.672 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 7.826 ( 0.000 0.000 0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 8.513 ( 0.000 0.000 0.000) 0.000 8.535 ( 0.000 0.000 0.000) 0.000 8.787 ( 0.000 0.000 0.000) 0.000 11.971 ( 0.000 0.000 0.000) 0.000 11.976 ( 0.000 0.000 0.000) 0.000 12.793 ( 0.000 0.000 0.000) 0.000 12.895 ( 0.000 0.000 0.000) 0.000 13.890 ( 0.000 0.000 0.000) 0.000 13.968 ( 0.000 0.000 0.000) 0.000 14.095 ( 0.000 0.000 0.000) 0.000 14.134 ( 0.000 0.000 0.000) 0.000 14.186 ( 0.000 0.000 0.000) 0.000 14.190 ( 0.000 0.000 0.000) 0.000 14.212 ( 0.000 0.000 0.000) 0.000 14.249 ( 0.000 0.000 0.000) 0.000 14.322 ( 0.000 0.000 0.000) 0.000 14.431 ( 0.000 0.000 0.000) 0.000 14.465 ( 0.000 0.000 0.000) 0.000 14.478 ( 0.000 0.000 0.000) 0.000 14.595 ( 0.000 0.000 0.000) 0.000 14.601 ( 0.000 0.000 0.000) 0.000 14.703 ( 0.000 0.000 0.000) 0.000 14.878 ( 0.000 0.000 0.000) 0.000 15.214 ( 0.000 0.000 0.000) 0.000 17.301 ( 0.000 0.000 0.000) 0.000 18.262 ( 0.000 0.000 0.000) 0.000 18.324 ( 0.000 0.000 0.000) 0.000 18.474 ( 0.000 0.000 0.000) 0.000 18.642 ( 0.000 0.000 0.000) 0.000 18.815 ( 0.000 0.000 0.000) 0.000 18.972 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 18.420 0.000 9.915) 20.919 0.451 ( 19.191 0.000 7.840) 20.730 1.017 ( 37.951 0.000 23.704) 44.746 1.534 ( 1.625 0.000 -2.337) 2.847 1.763 ( -2.786 0.000 -5.783) 6.419 1.790 ( 5.213 0.000 2.898) 5.964 2.038 ( -4.354 0.000 -4.212) 6.058 2.192 ( 2.012 0.000 0.972) 2.234 2.275 ( -0.084 0.000 1.481) 1.483 2.336 ( -1.631 0.000 3.525) 3.884 2.351 ( -2.478 0.000 -7.115) 7.534 2.534 ( 0.989 0.000 -4.037) 4.156 2.553 ( -1.149 0.000 1.634) 1.998 2.696 ( 0.311 0.000 -1.704) 1.732 2.763 ( -1.368 0.000 2.463) 2.817 2.814 ( 3.370 0.000 2.699) 4.318 2.885 ( 3.248 0.000 -2.301) 3.981 3.083 ( 3.315 0.000 -4.079) 5.256 3.189 ( 2.164 0.000 1.508) 2.637 3.301 ( -3.482 0.000 -0.893) 3.595 3.491 ( 1.933 0.000 -4.122) 4.553 3.501 ( -5.418 0.000 -5.181) 7.497 3.548 ( -1.970 0.000 1.198) 2.306 3.611 ( 0.543 0.000 10.702) 10.716 3.631 ( -0.958 0.000 -3.097) 3.241 3.785 ( -3.959 0.000 0.116) 3.961 3.879 ( -0.375 0.000 0.012) 0.375 3.982 ( -4.189 0.000 -0.940) 4.293 4.016 ( -8.179 0.000 -1.871) 8.391 4.037 ( -1.406 0.000 -0.519) 1.499 4.143 ( 3.311 0.000 6.862) 7.619 4.311 ( -2.771 0.000 -6.727) 7.275 4.355 ( -1.103 0.000 -0.528) 1.223 4.434 ( -1.050 0.000 -2.959) 3.139 4.451 ( -0.714 0.000 -9.898) 9.924 4.529 ( -3.354 0.000 -5.792) 6.693 4.663 ( 1.311 0.000 -1.474) 1.972 4.669 ( -3.479 0.000 -1.831) 3.931 4.752 ( -1.487 0.000 1.079) 1.837 4.852 ( -4.827 0.000 4.944) 6.910 4.859 ( 5.993 0.000 -1.178) 6.107 4.941 ( -9.133 0.000 1.902) 9.329 5.092 ( -6.716 0.000 -8.348) 10.714 5.125 ( 6.383 0.000 10.515) 12.301 5.220 ( -0.774 0.000 5.356) 5.412 5.267 ( 2.154 0.000 6.581) 6.925 5.353 ( 3.277 0.000 -7.661) 8.333 5.441 ( 3.454 0.000 -0.676) 3.520 5.467 ( 1.981 0.000 2.120) 2.901 5.689 ( 6.664 0.000 9.731) 11.794 5.763 ( -14.263 0.000 15.838) 21.314 5.932 ( -5.400 0.000 -0.343) 5.411 6.006 ( -0.320 0.000 1.410) 1.446 6.185 ( 2.120 0.000 9.267) 9.506 6.227 ( 2.319 0.000 -1.680) 2.864 6.640 ( 3.816 0.000 -1.357) 4.050 6.758 ( -4.381 0.000 -5.645) 7.146 6.779 ( -3.088 0.000 -5.216) 6.061 6.807 ( 2.068 0.000 9.675) 9.894 6.905 ( 2.046 0.000 1.984) 2.850 6.919 ( -4.953 0.000 -2.050) 5.361 7.034 ( -4.710 0.000 7.663) 8.995 7.134 ( 2.168 0.000 -0.574) 2.243 7.153 ( 4.849 0.000 -5.494) 7.328 7.191 ( -1.639 0.000 1.402) 2.157 7.335 ( 4.438 0.000 -8.374) 9.477 7.497 ( 3.697 0.000 2.031) 4.218 7.561 ( 3.468 0.000 4.284) 5.512 7.698 ( 7.655 0.000 -3.103) 8.260 7.704 ( 0.466 0.000 0.714) 0.853 7.768 ( -2.741 0.000 5.511) 6.155 7.812 ( 1.567 0.000 0.725) 1.727 7.819 ( -0.246 0.000 -1.047) 1.075 8.005 ( -5.645 0.000 -1.606) 5.869 8.188 ( -4.432 0.000 0.827) 4.508 8.197 ( 0.325 0.000 1.594) 1.627 8.333 ( 1.377 0.000 2.002) 2.430 8.462 ( -5.255 0.000 -2.738) 5.925 8.551 ( -0.500 0.000 3.302) 3.340 8.746 ( -3.122 0.000 -2.266) 3.857 11.973 ( 0.213 0.000 -0.167) 0.271 11.981 ( 0.460 0.000 0.125) 0.477 12.788 ( 0.151 0.000 -1.140) 1.150 13.078 ( 1.247 0.000 -4.623) 4.788 13.914 ( 1.937 0.000 1.288) 2.326 13.978 ( 0.488 0.000 -0.686) 0.842 14.113 ( 0.311 0.000 1.540) 1.572 14.131 ( -0.194 0.000 -0.504) 0.539 14.206 ( 0.416 0.000 -1.899) 1.944 14.213 ( 2.165 0.000 1.020) 2.393 14.237 ( 1.728 0.000 -2.200) 2.798 14.265 ( 1.606 0.000 2.037) 2.594 14.328 ( 0.246 0.000 0.972) 1.002 14.352 ( -2.739 0.000 -1.762) 3.257 14.528 ( 3.257 0.000 0.486) 3.293 14.595 ( -0.190 0.000 0.807) 0.829 14.644 ( 6.576 0.000 -12.892) 14.472 14.694 ( -1.202 0.000 -0.078) 1.205 14.731 ( 8.240 0.000 7.347) 11.040 15.071 ( -8.434 0.000 -9.310) 12.562 17.433 ( 9.707 0.000 10.192) 14.075 18.259 ( 0.431 0.000 4.573) 4.594 18.305 ( -2.427 0.000 -0.693) 2.524 18.412 ( -3.163 0.000 -6.614) 7.331 18.607 ( -0.799 0.000 -3.615) 3.702 18.688 ( -8.299 0.000 3.200) 8.895 18.841 ( -1.801 0.000 3.060) 3.551 18.901 ( -7.697 0.000 1.431) 7.829 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 12.830 0.000 5.201) 13.845 0.841 ( 13.866 0.000 8.947) 16.502 1.547 ( 2.531 0.000 -3.335) 4.187 1.561 ( 5.486 0.000 -2.757) 6.140 1.665 ( -2.180 0.000 -8.296) 8.578 1.739 ( -13.005 0.000 -12.768) 18.225 2.061 ( 14.384 0.000 12.091) 18.791 2.105 ( -6.033 0.000 -1.808) 6.298 2.293 ( 8.425 0.000 5.397) 10.006 2.362 ( -0.706 0.000 6.738) 6.775 2.496 ( -5.030 0.000 -2.259) 5.514 2.518 ( 1.071 0.000 -2.199) 2.446 2.569 ( 1.028 0.000 1.274) 1.637 2.583 ( 4.948 0.000 6.144) 7.889 2.806 ( -0.545 0.000 -5.366) 5.394 2.842 ( 3.127 0.000 7.102) 7.760 2.925 ( 0.403 0.000 -0.924) 1.009 3.160 ( -3.279 0.000 -5.432) 6.345 3.200 ( 6.253 0.000 1.262) 6.379 3.267 ( 4.673 0.000 -0.733) 4.730 3.406 ( -5.208 0.000 -12.534) 13.573 3.507 ( 1.095 0.000 2.877) 3.078 3.521 ( 3.840 0.000 1.668) 4.187 3.558 ( -3.017 0.000 -1.961) 3.598 3.709 ( -1.660 0.000 -0.784) 1.835 3.713 ( -2.856 0.000 7.751) 8.260 3.774 ( -5.563 0.000 -1.833) 5.857 3.860 ( -1.544 0.000 4.777) 5.020 3.970 ( -4.594 0.000 -3.612) 5.844 4.006 ( -0.919 0.000 2.958) 3.098 4.224 ( -4.377 0.000 -3.831) 5.817 4.251 ( -5.410 0.000 1.107) 5.522 4.309 ( 2.831 0.000 -4.172) 5.042 4.314 ( -2.210 0.000 5.034) 5.498 4.401 ( 1.820 0.000 -6.745) 6.986 4.488 ( 0.045 0.000 -1.965) 1.966 4.571 ( -3.675 0.000 -4.393) 5.728 4.657 ( -0.698 0.000 -4.815) 4.865 4.752 ( -4.224 0.000 -5.230) 6.722 4.783 ( 7.353 0.000 0.743) 7.390 4.812 ( -3.102 0.000 4.762) 5.683 4.996 ( -2.702 0.000 2.942) 3.995 5.020 ( 6.360 0.000 3.540) 7.279 5.119 ( -5.113 0.000 1.773) 5.412 5.192 ( -7.932 0.000 -7.856) 11.164 5.269 ( -4.871 0.000 0.265) 4.878 5.388 ( 5.244 0.000 6.395) 8.270 5.495 ( -1.913 0.000 -0.146) 1.919 5.595 ( 5.306 0.000 4.768) 7.133 5.762 ( 0.121 0.000 15.103) 15.103 5.802 ( -7.514 0.000 0.434) 7.527 5.906 ( 2.750 0.000 12.056) 12.366 6.019 ( 5.517 0.000 -7.986) 9.706 6.245 ( 1.553 0.000 -2.161) 2.661 6.246 ( 1.889 0.000 -6.002) 6.292 6.625 ( -0.657 0.000 -5.808) 5.845 6.684 ( -2.195 0.000 -3.621) 4.234 6.692 ( 0.116 0.000 0.100) 0.153 6.747 ( -8.266 0.000 -2.406) 8.609 6.959 ( 4.020 0.000 3.395) 5.262 6.984 ( 2.253 0.000 7.047) 7.398 7.036 ( -2.235 0.000 4.461) 4.990 7.166 ( -1.702 0.000 1.055) 2.003 7.182 ( 2.824 0.000 1.633) 3.262 7.216 ( 7.391 0.000 -5.303) 9.096 7.353 ( 0.380 0.000 1.899) 1.936 7.598 ( 3.482 0.000 -1.327) 3.727 7.653 ( 1.469 0.000 -3.593) 3.882 7.695 ( 0.399 0.000 2.873) 2.901 7.727 ( 1.339 0.000 -2.513) 2.848 7.780 ( -0.127 0.000 -1.952) 1.956 7.852 ( 3.300 0.000 7.759) 8.432 7.871 ( 4.131 0.000 -1.885) 4.541 7.946 ( -1.183 0.000 3.307) 3.512 8.050 ( -7.823 0.000 -3.008) 8.381 8.218 ( -0.414 0.000 1.467) 1.524 8.295 ( -7.772 0.000 -5.384) 9.455 8.403 ( 1.829 0.000 4.881) 5.213 8.575 ( 0.190 0.000 1.756) 1.766 8.647 ( -3.921 0.000 -3.606) 5.327 11.975 ( 0.149 0.000 -0.143) 0.206 11.992 ( 0.462 0.000 0.128) 0.479 12.779 ( 0.205 0.000 -1.107) 1.126 13.051 ( -0.067 0.000 -2.560) 2.561 13.966 ( -0.462 0.000 -0.960) 1.066 13.980 ( 3.253 0.000 1.828) 3.732 14.113 ( -0.903 0.000 0.305) 0.953 14.115 ( -1.116 0.000 -0.641) 1.287 14.194 ( 0.086 0.000 -1.447) 1.449 14.236 ( 0.685 0.000 -0.741) 1.010 14.249 ( 0.614 0.000 0.027) 0.615 14.308 ( -1.201 0.000 0.282) 1.234 14.344 ( 1.847 0.000 1.964) 2.696 14.361 ( 1.784 0.000 2.968) 3.463 14.596 ( 0.020 0.000 0.423) 0.423 14.627 ( -4.734 0.000 -0.783) 4.799 14.646 ( 0.193 0.000 -3.463) 3.468 14.656 ( 6.978 0.000 5.431) 8.842 14.838 ( -4.082 0.000 -9.177) 10.044 14.956 ( 7.323 0.000 5.669) 9.261 17.744 ( 12.833 0.000 7.847) 15.042 18.154 ( -8.483 0.000 -6.397) 10.625 18.276 ( -4.380 0.000 2.077) 4.848 18.326 ( 0.606 0.000 -4.759) 4.798 18.576 ( 0.268 0.000 -1.607) 1.629 18.607 ( -1.284 0.000 2.346) 2.675 18.764 ( -7.694 0.000 1.767) 7.895 18.795 ( -3.973 0.000 -1.240) 4.162 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.000 0.000 0.000) 0.000 1.044 ( 0.000 0.000 0.000) 0.000 1.444 ( 0.000 0.000 0.000) 0.000 1.527 ( 0.000 0.000 0.000) 0.000 1.564 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 -0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.954 ( -0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.106 ( -0.000 0.000 -0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 -0.000) 0.000 3.715 ( -0.000 0.000 -0.000) 0.000 3.716 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.334 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 -0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.639 ( 0.000 0.000 -0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 4.998 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 -0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.457 ( 0.000 0.000 0.000) 0.000 5.460 ( -0.000 0.000 0.000) 0.000 5.676 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.868 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.589 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 -0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 6.999 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 -0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.154 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.278 ( 0.000 0.000 0.000) 0.000 7.357 ( -0.000 0.000 0.000) 0.000 7.564 ( 0.000 0.000 0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 7.767 ( 0.000 0.000 0.000) 0.000 7.815 ( 0.000 0.000 0.000) 0.000 7.871 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 -0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 8.026 ( 0.000 0.000 0.000) 0.000 8.083 ( -0.000 0.000 -0.000) 0.000 8.239 ( 0.000 0.000 0.000) 0.000 8.463 ( 0.000 0.000 0.000) 0.000 8.572 ( 0.000 0.000 -0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 11.975 ( 0.000 0.000 0.000) 0.000 11.997 ( 0.000 0.000 0.000) 0.000 12.776 ( 0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.956 ( 0.000 0.000 0.000) 0.000 14.038 ( 0.000 0.000 0.000) 0.000 14.086 ( 0.000 0.000 0.000) 0.000 14.104 ( 0.000 0.000 0.000) 0.000 14.187 ( 0.000 0.000 0.000) 0.000 14.238 ( 0.000 0.000 0.000) 0.000 14.255 ( 0.000 0.000 -0.000) 0.000 14.299 ( 0.000 0.000 0.000) 0.000 14.366 ( 0.000 0.000 0.000) 0.000 14.450 ( 0.000 0.000 0.000) 0.000 14.489 ( -0.000 0.000 -0.000) 0.000 14.597 ( 0.000 0.000 0.000) 0.000 14.641 ( 0.000 0.000 -0.000) 0.000 14.770 ( 0.000 0.000 -0.000) 0.000 14.777 ( 0.000 0.000 0.000) 0.000 15.055 ( 0.000 0.000 0.000) 0.000 17.959 ( 0.000 0.000 0.000) 0.000 18.022 ( 0.000 0.000 0.000) 0.000 18.180 ( -0.000 0.000 0.000) 0.000 18.310 ( 0.000 0.000 0.000) 0.000 18.575 ( 0.000 0.000 0.000) 0.000 18.685 ( 0.000 0.000 0.000) 0.000 18.686 ( -0.000 0.000 -0.000) 0.000 18.694 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 0.000 23.292 0.000) 23.292 0.762 ( 0.000 37.622 0.000) 37.622 0.782 ( 0.000 39.526 0.000) 39.526 1.623 ( 0.000 8.402 0.000) 8.402 1.821 ( 0.000 9.019 0.000) 9.019 1.946 ( 0.000 9.039 0.000) 9.039 2.131 ( 0.000 5.338 0.000) 5.338 2.226 ( 0.000 1.121 0.000) 1.121 2.256 ( 0.000 6.410 0.000) 6.410 2.351 ( 0.000 2.067 0.000) 2.067 2.515 ( 0.000 3.547 0.000) 3.547 2.624 ( 0.000 10.391 0.000) 10.391 2.647 ( 0.000 8.877 0.000) 8.877 2.647 ( 0.000 0.672 0.000) 0.672 2.774 ( 0.000 2.553 0.000) 2.553 2.799 ( 0.000 3.965 0.000) 3.965 2.948 ( 0.000 5.250 0.000) 5.250 3.112 ( 0.000 5.779 0.000) 5.779 3.181 ( 0.000 -4.176 0.000) 4.176 3.254 ( 0.000 -5.380 0.000) 5.380 3.359 ( 0.000 -4.888 0.000) 4.888 3.508 ( 0.000 -1.098 0.000) 1.098 3.537 ( 0.000 -9.250 0.000) 9.250 3.613 ( 0.000 -3.126 0.000) 3.126 3.708 ( 0.000 4.928 0.000) 4.928 3.855 ( 0.000 -2.150 0.000) 2.150 3.855 ( 0.000 1.325 0.000) 1.325 4.008 ( 0.000 -0.822 0.000) 0.822 4.031 ( 0.000 -0.924 0.000) 0.924 4.104 ( 0.000 6.036 0.000) 6.036 4.134 ( 0.000 -3.207 0.000) 3.207 4.368 ( 0.000 -5.400 0.000) 5.400 4.383 ( 0.000 4.065 0.000) 4.065 4.534 ( 0.000 -8.483 0.000) 8.483 4.580 ( 0.000 -1.752 0.000) 1.752 4.626 ( 0.000 1.884 0.000) 1.884 4.630 ( 0.000 -8.059 0.000) 8.059 4.737 ( 0.000 -8.765 0.000) 8.765 4.754 ( 0.000 0.265 0.000) 0.265 4.840 ( 0.000 -0.543 0.000) 0.543 4.895 ( 0.000 2.913 0.000) 2.913 5.002 ( 0.000 -8.070 0.000) 8.070 5.012 ( 0.000 -0.895 0.000) 0.895 5.110 ( 0.000 -1.858 0.000) 1.858 5.156 ( 0.000 2.648 0.000) 2.648 5.211 ( 0.000 -3.992 0.000) 3.992 5.347 ( 0.000 -0.455 0.000) 0.455 5.407 ( 0.000 8.269 0.000) 8.269 5.524 ( 0.000 2.852 0.000) 2.852 5.621 ( 0.000 7.279 0.000) 7.279 5.724 ( 0.000 -6.165 0.000) 6.165 5.799 ( 0.000 -7.763 0.000) 7.763 6.091 ( 0.000 3.154 0.000) 3.154 6.109 ( 0.000 11.315 0.000) 11.315 6.449 ( 0.000 0.931 0.000) 0.931 6.537 ( 0.000 -2.983 0.000) 2.983 6.553 ( 0.000 -6.968 0.000) 6.968 6.752 ( 0.000 -2.259 0.000) 2.259 6.815 ( 0.000 -1.683 0.000) 1.683 6.832 ( 0.000 -0.953 0.000) 0.953 6.858 ( 0.000 -6.420 0.000) 6.420 7.014 ( 0.000 1.386 0.000) 1.386 7.062 ( 0.000 -8.983 0.000) 8.983 7.091 ( 0.000 2.222 0.000) 2.222 7.129 ( 0.000 0.832 0.000) 0.832 7.242 ( 0.000 0.697 0.000) 0.697 7.437 ( 0.000 -4.171 0.000) 4.171 7.560 ( 0.000 3.473 0.000) 3.473 7.638 ( 0.000 -0.747 0.000) 0.747 7.709 ( 0.000 2.678 0.000) 2.678 7.789 ( 0.000 -2.402 0.000) 2.402 7.790 ( 0.000 9.204 0.000) 9.204 7.923 ( 0.000 7.187 0.000) 7.187 8.083 ( 0.000 -2.559 0.000) 2.559 8.161 ( 0.000 -2.116 0.000) 2.116 8.214 ( 0.000 2.948 0.000) 2.948 8.396 ( 0.000 3.403 0.000) 3.403 8.503 ( 0.000 -0.970 0.000) 0.970 8.536 ( 0.000 0.033 0.000) 0.033 8.777 ( 0.000 -0.990 0.000) 0.990 12.016 ( 0.000 3.965 0.000) 3.965 12.285 ( 0.000 0.342 0.000) 0.342 12.752 ( 0.000 -3.726 0.000) 3.726 12.886 ( 0.000 -1.375 0.000) 1.375 13.896 ( 0.000 0.674 0.000) 0.674 14.050 ( 0.000 -2.924 0.000) 2.924 14.097 ( 0.000 -3.103 0.000) 3.103 14.112 ( 0.000 -1.410 0.000) 1.410 14.176 ( 0.000 -0.103 0.000) 0.103 14.196 ( 0.000 -3.193 0.000) 3.193 14.276 ( 0.000 4.144 0.000) 4.144 14.277 ( 0.000 5.407 0.000) 5.407 14.389 ( 0.000 3.151 0.000) 3.151 14.412 ( 0.000 -3.077 0.000) 3.077 14.497 ( 0.000 1.192 0.000) 1.192 14.604 ( 0.000 4.392 0.000) 4.392 14.672 ( 0.000 6.286 0.000) 6.286 14.705 ( 0.000 0.280 0.000) 0.280 14.877 ( 0.000 0.005 0.000) 0.005 15.190 ( 0.000 -2.445 0.000) 2.445 17.393 ( 0.000 9.184 0.000) 9.184 18.255 ( 0.000 -0.683 0.000) 0.683 18.307 ( 0.000 -1.571 0.000) 1.571 18.438 ( 0.000 -2.481 0.000) 2.481 18.442 ( 0.000 -4.056 0.000) 4.056 18.550 ( 0.000 -8.392 0.000) 8.392 18.790 ( 0.000 -5.031 0.000) 5.031 18.865 ( 0.000 -8.517 0.000) 8.517 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 8.743 25.173 14.468) 30.322 0.906 ( 13.421 33.336 -1.843) 35.983 1.156 ( 30.118 15.901 21.156) 40.094 1.617 ( 1.424 7.505 -3.459) 8.386 1.818 ( -4.652 5.170 -5.068) 8.606 1.898 ( 3.681 9.066 1.527) 9.903 2.091 ( -4.646 5.505 -6.797) 9.904 2.271 ( 1.195 5.689 3.484) 6.777 2.322 ( -1.360 4.981 1.889) 5.498 2.336 ( 7.519 0.418 -1.100) 7.611 2.418 ( -7.179 6.802 -3.970) 10.656 2.600 ( -0.276 7.001 -3.856) 7.998 2.631 ( -0.729 5.062 3.111) 5.986 2.675 ( 1.621 1.125 -0.108) 1.976 2.772 ( -1.417 1.628 0.503) 2.216 2.866 ( 2.917 4.677 1.330) 5.671 2.932 ( 1.676 4.072 -2.900) 5.273 3.062 ( -2.958 -2.891 -1.655) 4.455 3.227 ( 3.231 1.915 1.450) 4.026 3.270 ( -2.511 -1.521 0.492) 2.977 3.326 ( 0.839 -7.735 -4.719) 9.099 3.447 ( -6.582 -7.594 4.019) 10.823 3.530 ( -0.153 -2.590 -0.232) 2.605 3.626 ( -0.326 -1.092 5.774) 5.886 3.680 ( -3.294 2.570 -5.696) 7.064 3.816 ( 2.292 2.567 -0.425) 3.467 3.889 ( -1.379 -0.366 0.593) 1.545 4.003 ( -8.097 0.193 -2.938) 8.616 4.016 ( -1.356 0.661 -1.209) 1.933 4.073 ( -0.111 4.872 1.504) 5.100 4.117 ( 2.571 -1.365 3.328) 4.421 4.310 ( -2.013 -5.364 -4.462) 7.262 4.354 ( -5.932 -3.085 -10.519) 12.464 4.371 ( -2.518 0.514 -1.549) 3.000 4.432 ( -5.172 -2.137 -5.205) 7.643 4.567 ( -0.365 -0.024 -2.011) 2.044 4.640 ( 2.133 1.156 -5.314) 5.842 4.689 ( 0.998 1.638 0.073) 1.920 4.787 ( -2.280 -2.012 0.873) 3.164 4.837 ( -2.078 -1.309 1.307) 2.782 4.896 ( 1.224 2.877 -1.269) 3.375 4.948 ( -5.963 4.111 6.525) 9.748 5.032 ( -0.900 -2.466 -0.040) 2.625 5.165 ( 1.561 -5.766 6.841) 9.082 5.212 ( -0.409 0.557 2.375) 2.474 5.262 ( -3.267 1.616 0.933) 3.762 5.297 ( 4.894 -4.698 0.028) 6.785 5.375 ( 2.027 0.016 -6.218) 6.540 5.553 ( 2.780 4.391 4.305) 6.749 5.698 ( -4.086 -1.377 8.671) 9.684 5.754 ( -0.140 2.599 5.757) 6.317 5.803 ( -0.616 -8.550 6.686) 10.871 6.023 ( -3.458 0.149 -1.069) 3.622 6.202 ( 5.177 3.552 -0.965) 6.353 6.354 ( -4.550 6.478 3.157) 8.522 6.561 ( 0.838 -7.907 -0.008) 7.951 6.616 ( -3.470 -8.634 -7.211) 11.772 6.735 ( 1.265 -7.247 1.177) 7.450 6.830 ( -0.540 -1.407 1.202) 1.928 6.873 ( 0.701 1.591 4.342) 4.677 6.949 ( 4.367 -1.421 5.271) 6.991 6.966 ( -4.813 -3.147 3.354) 6.657 7.072 ( 2.095 -2.913 -1.621) 3.937 7.120 ( 0.801 -1.076 -2.581) 2.909 7.226 ( 0.531 -1.327 -3.769) 4.030 7.278 ( 11.843 -1.967 0.281) 12.009 7.456 ( 4.461 -4.684 -2.575) 6.962 7.577 ( 2.578 3.962 1.810) 5.061 7.652 ( 1.034 -1.187 -1.615) 2.256 7.730 ( -0.618 -3.077 1.163) 3.347 7.765 ( -0.718 2.207 1.633) 2.838 7.851 ( 4.897 9.687 0.451) 10.864 7.934 ( 1.261 5.686 -0.538) 5.849 8.017 ( -4.921 0.366 -0.557) 4.966 8.142 ( -3.052 -2.785 1.518) 4.402 8.212 ( -1.415 0.299 1.275) 1.928 8.399 ( 0.715 5.102 0.483) 5.175 8.468 ( -4.761 0.754 -1.435) 5.029 8.539 ( 0.749 -0.937 1.984) 2.319 8.740 ( -2.723 -0.488 -2.096) 3.471 12.020 ( 0.286 3.856 0.084) 3.867 12.127 ( -6.590 8.998 -1.999) 11.330 12.752 ( 0.239 -3.492 -0.939) 3.624 12.989 ( 4.733 -6.078 -0.598) 7.726 13.904 ( 0.535 0.248 1.575) 1.682 14.008 ( -2.539 -0.565 -4.090) 4.847 14.083 ( 0.125 -1.539 2.282) 2.755 14.112 ( 0.180 -1.004 -0.496) 1.135 14.192 ( 0.142 -2.637 -0.492) 2.686 14.211 ( 1.237 -0.305 1.708) 2.131 14.270 ( 0.330 2.569 -2.046) 3.301 14.286 ( -0.437 3.597 2.228) 4.253 14.340 ( -0.975 -0.213 -3.044) 3.203 14.388 ( 0.416 3.654 -0.150) 3.681 14.532 ( 2.317 1.498 1.472) 3.127 14.606 ( -1.495 0.676 -3.922) 4.251 14.675 ( 2.565 2.918 1.564) 4.188 14.732 ( -1.204 2.354 0.069) 2.645 14.784 ( 4.770 4.607 0.962) 6.701 15.063 ( -8.024 -1.299 -8.321) 11.632 17.535 ( 9.996 9.447 8.129) 15.977 18.255 ( -3.352 -3.467 0.116) 4.824 18.278 ( -1.630 -1.169 2.101) 2.905 18.375 ( -0.890 -3.247 -8.243) 8.904 18.535 ( -0.017 -6.795 -1.690) 7.002 18.578 ( -0.050 -7.664 4.349) 8.812 18.768 ( -6.138 -11.010 1.908) 12.749 18.836 ( -1.307 -1.806 1.493) 2.683 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 5.038 23.386 16.977) 29.334 1.155 ( 15.228 25.977 -4.877) 30.504 1.607 ( 3.101 5.434 -7.862) 10.048 1.681 ( 1.045 9.834 0.653) 9.911 1.696 ( -1.497 3.589 -7.289) 8.262 1.787 ( -6.761 5.016 -7.796) 11.474 2.077 ( 4.044 2.641 1.267) 4.994 2.181 ( -1.539 8.141 4.695) 9.523 2.378 ( 2.843 2.728 2.403) 4.616 2.408 ( 3.397 8.090 7.669) 11.654 2.475 ( -2.266 -0.335 -1.903) 2.978 2.569 ( -4.193 1.339 -1.534) 4.661 2.617 ( 8.211 5.386 1.958) 10.013 2.674 ( 1.373 9.130 2.033) 9.454 2.806 ( 3.224 -5.884 -0.063) 6.709 2.860 ( -0.478 3.676 -1.949) 4.188 2.949 ( -2.597 1.757 2.919) 4.285 3.047 ( 0.941 -3.995 1.386) 4.332 3.190 ( -0.916 -4.696 -5.295) 7.136 3.228 ( 0.719 -1.500 -5.739) 5.975 3.339 ( -1.492 -8.322 6.806) 10.854 3.374 ( -7.024 -3.274 -5.542) 9.528 3.532 ( 3.297 -1.111 2.026) 4.026 3.643 ( 5.735 4.786 -1.313) 7.584 3.688 ( -1.471 -5.841 5.590) 8.217 3.790 ( -2.712 4.179 2.063) 5.392 3.840 ( -3.865 7.870 -0.864) 8.810 3.881 ( -3.225 7.363 0.675) 8.066 3.919 ( -4.801 -4.316 -3.288) 7.245 4.067 ( 0.463 1.817 -1.924) 2.687 4.167 ( -6.629 -2.016 -4.802) 8.430 4.240 ( 1.487 -1.331 1.399) 2.437 4.300 ( 2.305 -1.197 -6.357) 6.867 4.320 ( -0.518 1.321 7.102) 7.242 4.402 ( 5.021 -1.625 -1.983) 5.638 4.529 ( -3.533 4.484 0.041) 5.708 4.581 ( -0.585 0.498 -5.396) 5.451 4.667 ( -0.553 2.192 -4.252) 4.815 4.760 ( -5.467 2.435 -1.234) 6.110 4.827 ( -0.059 1.784 6.310) 6.557 4.868 ( 2.284 3.614 -2.137) 4.780 4.943 ( -0.980 -1.939 0.792) 2.312 5.027 ( 5.867 -0.866 -0.524) 5.954 5.153 ( -6.332 -8.135 -0.125) 10.310 5.179 ( -6.953 -1.751 -5.895) 9.282 5.194 ( -6.008 4.997 2.245) 8.131 5.359 ( 5.307 -2.768 7.626) 9.694 5.483 ( 4.118 -2.181 1.227) 4.818 5.587 ( -0.966 -0.443 3.428) 3.589 5.729 ( -3.765 -4.806 -1.138) 6.210 5.770 ( 1.111 -1.153 9.771) 9.901 5.928 ( 3.163 0.808 7.973) 8.615 5.983 ( 2.958 -2.202 -4.578) 5.878 6.240 ( 0.996 -0.875 -2.932) 3.218 6.299 ( -3.137 4.484 -1.833) 5.771 6.491 ( -1.286 -9.375 -2.689) 9.838 6.568 ( -0.705 -7.312 -2.159) 7.657 6.715 ( -2.340 -2.525 -0.932) 3.567 6.770 ( -4.649 -0.129 -2.679) 5.367 6.926 ( 2.360 -1.474 5.382) 6.059 6.982 ( -0.321 -2.560 5.552) 6.122 7.016 ( 0.539 -5.103 -1.568) 5.366 7.104 ( -2.129 -1.620 4.411) 5.159 7.159 ( 4.920 1.588 3.109) 6.033 7.243 ( 6.789 -2.121 -6.283) 9.490 7.365 ( -0.017 0.801 -0.471) 0.929 7.561 ( -0.173 -3.831 -3.254) 5.029 7.584 ( 4.415 -0.437 -1.641) 4.730 7.707 ( 3.923 -4.060 4.333) 7.116 7.741 ( 1.867 0.788 -2.792) 3.450 7.772 ( 2.082 3.102 -2.894) 4.726 7.874 ( -3.285 3.874 4.673) 6.902 7.945 ( -1.613 3.793 2.316) 4.728 7.994 ( 0.789 2.697 -2.279) 3.618 8.095 ( -0.237 4.463 1.784) 4.812 8.211 ( -0.715 -0.713 1.392) 1.720 8.324 ( -5.999 3.092 -3.452) 7.581 8.440 ( 0.389 3.733 2.805) 4.686 8.567 ( 0.224 -0.779 1.309) 1.540 8.654 ( -3.256 0.764 -3.050) 4.526 12.016 ( -0.543 3.626 -0.588) 3.713 12.062 ( -0.714 6.701 0.180) 6.741 12.746 ( 0.148 -3.255 -0.900) 3.381 13.016 ( 0.581 -3.641 -1.655) 4.041 13.940 ( -0.652 -1.572 -0.743) 1.857 13.956 ( 1.705 -2.457 0.366) 3.013 14.092 ( -0.059 -1.057 -0.452) 1.152 14.110 ( -0.376 -0.146 0.380) 0.554 14.196 ( 0.812 -2.402 -0.351) 2.559 14.232 ( -0.479 0.869 1.397) 1.714 14.251 ( -0.211 -3.468 -1.433) 3.758 14.289 ( -0.054 2.137 -1.297) 2.500 14.336 ( 0.468 1.371 2.694) 3.059 14.429 ( 2.334 4.808 0.373) 5.358 14.555 ( -0.708 -2.044 -0.873) 2.333 14.625 ( -1.514 0.518 2.912) 3.323 14.674 ( -0.841 1.248 -0.863) 1.735 14.726 ( 3.138 5.717 3.011) 7.183 14.847 ( -4.209 0.343 -7.448) 8.562 14.966 ( 7.166 1.140 4.370) 8.470 17.831 ( 12.290 7.858 6.765) 16.080 18.061 ( -8.468 -9.216 -7.097) 14.388 18.291 ( -3.823 0.882 1.890) 4.354 18.313 ( 0.104 -1.262 -3.739) 3.948 18.525 ( 2.022 -6.481 -3.528) 7.651 18.582 ( 0.298 -2.330 2.996) 3.807 18.643 ( -8.169 -9.901 3.140) 13.215 18.800 ( -3.785 0.058 -1.172) 3.963 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.000 22.629 -0.000) 22.629 1.279 ( -0.000 20.454 0.000) 20.454 1.476 ( -0.000 3.661 -0.000) 3.661 1.637 ( -0.000 6.693 0.000) 6.693 1.682 ( 0.000 10.413 -0.000) 10.413 1.725 ( 0.000 10.318 -0.000) 10.318 2.027 ( -0.000 -0.799 -0.000) 0.799 2.276 ( -0.000 6.167 0.000) 6.167 2.337 ( 0.000 -0.500 0.000) 0.500 2.426 ( 0.000 3.008 0.000) 3.008 2.537 ( -0.000 5.341 0.000) 5.341 2.557 ( 0.000 1.206 0.000) 1.206 2.687 ( 0.000 8.153 -0.000) 8.153 2.807 ( 0.000 1.408 0.000) 1.408 2.826 ( 0.000 0.669 0.000) 0.669 2.869 ( 0.000 -6.636 0.000) 6.636 2.956 ( -0.000 0.537 -0.000) 0.537 3.054 ( 0.000 -4.126 -0.000) 4.126 3.122 ( 0.000 2.986 -0.000) 2.986 3.175 ( -0.000 -7.102 0.000) 7.102 3.268 ( -0.000 -2.289 0.000) 2.289 3.357 ( 0.000 -6.756 0.000) 6.756 3.639 ( -0.000 0.228 -0.000) 0.228 3.677 ( -0.000 -1.191 -0.000) 1.191 3.744 ( 0.000 -8.509 0.000) 8.509 3.751 ( -0.000 3.291 -0.000) 3.291 3.815 ( -0.000 9.010 -0.000) 9.010 3.828 ( 0.000 8.980 -0.000) 8.980 3.859 ( 0.000 2.650 0.000) 2.650 4.026 ( 0.000 -0.461 0.000) 0.461 4.069 ( -0.000 -3.702 0.000) 3.702 4.247 ( 0.000 0.959 -0.000) 0.959 4.277 ( -0.000 7.220 0.000) 7.220 4.380 ( 0.000 -1.382 -0.000) 1.382 4.453 ( 0.000 3.557 0.000) 3.557 4.476 ( 0.000 3.600 -0.000) 3.600 4.557 ( -0.000 3.788 -0.000) 3.788 4.651 ( 0.000 2.643 -0.000) 2.643 4.702 ( -0.000 0.302 -0.000) 0.302 4.860 ( 0.000 2.525 0.000) 2.525 4.945 ( -0.000 -1.965 0.000) 1.965 4.948 ( -0.000 -1.777 -0.000) 1.777 4.989 ( 0.000 -2.100 0.000) 2.100 5.086 ( -0.000 -2.104 0.000) 2.104 5.116 ( 0.000 -6.783 -0.000) 6.783 5.120 ( -0.000 5.584 0.000) 5.584 5.462 ( -0.000 0.187 -0.000) 0.187 5.492 ( 0.000 1.266 0.000) 1.266 5.642 ( -0.000 -7.752 0.000) 7.752 5.643 ( 0.000 -2.910 -0.000) 2.910 5.840 ( 0.000 -3.030 -0.000) 3.030 5.981 ( -0.000 -4.391 0.000) 4.391 6.045 ( 0.000 1.913 0.000) 1.913 6.217 ( -0.000 3.246 -0.000) 3.246 6.231 ( 0.000 -2.883 0.000) 2.883 6.490 ( -0.000 -6.627 0.000) 6.627 6.526 ( -0.000 -7.062 -0.000) 7.062 6.684 ( 0.000 -0.423 -0.000) 0.423 6.718 ( -0.000 -0.494 0.000) 0.494 6.971 ( 0.000 -0.850 -0.000) 0.850 6.999 ( -0.000 -2.037 -0.000) 2.037 7.022 ( -0.000 -9.085 0.000) 9.085 7.118 ( -0.000 -2.899 0.000) 2.899 7.235 ( 0.000 2.897 -0.000) 2.897 7.317 ( 0.000 -1.356 -0.000) 1.356 7.326 ( -0.000 -1.572 0.000) 1.572 7.484 ( -0.000 -2.879 0.000) 2.879 7.669 ( -0.000 -2.520 -0.000) 2.520 7.707 ( -0.000 5.876 0.000) 5.876 7.751 ( -0.000 -0.696 0.000) 0.696 7.831 ( -0.000 -2.687 0.000) 2.687 7.898 ( 0.000 0.449 0.000) 0.449 7.900 ( -0.000 2.646 -0.000) 2.646 7.979 ( -0.000 0.747 -0.000) 0.747 8.144 ( -0.000 10.533 -0.000) 10.533 8.174 ( -0.000 4.976 0.000) 4.976 8.250 ( -0.000 1.986 -0.000) 1.986 8.467 ( 0.000 0.837 0.000) 0.837 8.565 ( -0.000 -0.441 -0.000) 0.441 8.605 ( -0.000 1.746 -0.000) 1.746 12.006 ( 0.000 3.275 0.000) 3.275 12.061 ( 0.000 5.939 0.000) 5.939 12.743 ( 0.000 -3.210 0.000) 3.210 13.009 ( -0.000 -2.937 -0.000) 2.937 13.921 ( 0.000 -2.681 0.000) 2.681 13.989 ( 0.000 -4.073 0.000) 4.073 14.088 ( 0.000 0.379 0.000) 0.379 14.107 ( -0.000 0.436 -0.000) 0.436 14.207 ( 0.000 -0.820 0.000) 0.820 14.235 ( 0.000 -6.449 -0.000) 6.449 14.238 ( -0.000 2.326 0.000) 2.326 14.278 ( 0.000 1.220 -0.000) 1.220 14.368 ( 0.000 1.999 0.000) 1.999 14.486 ( 0.000 -1.710 0.000) 1.710 14.495 ( -0.000 4.432 -0.000) 4.432 14.566 ( -0.000 -0.114 -0.000) 0.114 14.687 ( 0.000 2.464 -0.000) 2.464 14.783 ( -0.000 0.600 -0.000) 0.600 14.813 ( 0.000 3.776 -0.000) 3.776 15.058 ( -0.000 0.370 0.000) 0.370 17.911 ( 0.000 -9.794 -0.000) 9.794 18.058 ( 0.000 7.645 0.000) 7.645 18.197 ( -0.000 1.432 -0.000) 1.432 18.294 ( -0.000 -1.921 0.000) 1.921 18.548 ( -0.000 -13.252 0.000) 13.252 18.551 ( 0.000 -2.381 -0.000) 2.381 18.686 ( 0.001 0.029 0.000) 0.029 18.686 ( -0.001 -0.537 -0.000) 0.537 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.000 24.790 0.000) 24.790 1.429 ( 0.000 30.632 0.000) 30.632 1.511 ( 0.000 35.035 0.000) 35.035 1.798 ( 0.000 7.695 0.000) 7.695 1.980 ( 0.000 4.364 0.000) 4.364 2.143 ( 0.000 -2.877 0.000) 2.877 2.179 ( 0.000 14.028 0.000) 14.028 2.261 ( 0.000 -2.985 0.000) 2.985 2.357 ( 0.000 11.855 0.000) 11.855 2.456 ( 0.000 2.411 0.000) 2.411 2.616 ( 0.000 6.232 0.000) 6.232 2.741 ( 0.000 4.467 0.000) 4.467 2.787 ( 0.000 6.450 0.000) 6.450 2.828 ( 0.000 1.512 0.000) 1.512 2.894 ( 0.000 11.742 0.000) 11.742 2.921 ( 0.000 13.408 0.000) 13.408 2.939 ( 0.000 -8.510 0.000) 8.510 3.054 ( 0.000 3.768 0.000) 3.768 3.192 ( 0.000 -7.345 0.000) 7.345 3.275 ( 0.000 -7.129 0.000) 7.129 3.286 ( 0.000 3.222 0.000) 3.222 3.340 ( 0.000 2.677 0.000) 2.677 3.540 ( 0.000 2.919 0.000) 2.919 3.546 ( 0.000 -3.396 0.000) 3.396 3.724 ( 0.000 -0.241 0.000) 0.241 3.793 ( 0.000 -3.298 0.000) 3.298 3.830 ( 0.000 -2.922 0.000) 2.922 4.027 ( 0.000 -0.841 0.000) 0.841 4.063 ( 0.000 -2.321 0.000) 2.321 4.083 ( 0.000 6.976 0.000) 6.976 4.260 ( 0.000 7.946 0.000) 7.946 4.298 ( 0.000 -2.352 0.000) 2.352 4.358 ( 0.000 -9.606 0.000) 9.606 4.446 ( 0.000 -9.027 0.000) 9.027 4.463 ( 0.000 -5.452 0.000) 5.452 4.474 ( 0.000 5.099 0.000) 5.099 4.638 ( 0.000 0.030 0.000) 0.030 4.689 ( 0.000 1.508 0.000) 1.508 4.736 ( 0.000 -2.728 0.000) 2.728 4.850 ( 0.000 1.393 0.000) 1.393 4.891 ( 0.000 -2.704 0.000) 2.704 4.931 ( 0.000 -0.047 0.000) 0.047 5.000 ( 0.000 -0.073 0.000) 0.073 5.055 ( 0.000 -3.331 0.000) 3.331 5.121 ( 0.000 -4.100 0.000) 4.100 5.225 ( 0.000 2.678 0.000) 2.678 5.304 ( 0.000 -2.891 0.000) 2.891 5.372 ( 0.000 -9.596 0.000) 9.596 5.584 ( 0.000 1.466 0.000) 1.466 5.642 ( 0.000 -1.473 0.000) 1.473 5.717 ( 0.000 5.638 0.000) 5.638 5.838 ( 0.000 4.659 0.000) 4.659 6.143 ( 0.000 3.088 0.000) 3.088 6.234 ( 0.000 -1.549 0.000) 1.549 6.395 ( 0.000 -6.505 0.000) 6.505 6.432 ( 0.000 -8.557 0.000) 8.557 6.471 ( 0.000 2.285 0.000) 2.285 6.641 ( 0.000 -5.130 0.000) 5.130 6.757 ( 0.000 -4.017 0.000) 4.017 6.801 ( 0.000 -0.762 0.000) 0.762 6.844 ( 0.000 0.372 0.000) 0.372 6.880 ( 0.000 -8.479 0.000) 8.479 6.957 ( 0.000 -5.399 0.000) 5.399 7.108 ( 0.000 1.916 0.000) 1.916 7.214 ( 0.000 -3.898 0.000) 3.898 7.280 ( 0.000 10.092 0.000) 10.092 7.390 ( 0.000 0.613 0.000) 0.613 7.554 ( 0.000 -4.951 0.000) 4.951 7.672 ( 0.000 3.786 0.000) 3.786 7.751 ( 0.000 2.358 0.000) 2.358 7.815 ( 0.000 4.214 0.000) 4.214 7.954 ( 0.000 6.503 0.000) 6.503 8.029 ( 0.000 -2.250 0.000) 2.250 8.035 ( 0.000 4.202 0.000) 4.202 8.127 ( 0.000 -0.566 0.000) 0.566 8.283 ( 0.000 3.750 0.000) 3.750 8.471 ( 0.000 4.043 0.000) 4.043 8.476 ( 0.000 -1.714 0.000) 1.714 8.531 ( 0.000 -0.719 0.000) 0.719 8.754 ( 0.000 -1.294 0.000) 1.294 12.118 ( 0.000 6.228 0.000) 6.228 12.302 ( 0.000 1.566 0.000) 1.566 12.666 ( 0.000 -4.865 0.000) 4.865 12.829 ( 0.000 -4.561 0.000) 4.561 13.913 ( 0.000 0.933 0.000) 0.933 13.997 ( 0.000 -2.532 0.000) 2.532 14.048 ( 0.000 -1.837 0.000) 1.837 14.105 ( 0.000 0.942 0.000) 0.942 14.155 ( 0.000 -0.953 0.000) 0.953 14.164 ( 0.000 -1.222 0.000) 1.222 14.338 ( 0.000 -0.327 0.000) 0.327 14.351 ( 0.000 3.113 0.000) 3.113 14.401 ( 0.000 2.999 0.000) 2.999 14.417 ( 0.000 0.392 0.000) 0.392 14.528 ( 0.000 2.214 0.000) 2.214 14.703 ( 0.000 2.609 0.000) 2.609 14.743 ( 0.000 6.257 0.000) 6.257 14.794 ( 0.000 4.906 0.000) 4.906 14.892 ( 0.000 2.569 0.000) 2.569 15.124 ( 0.000 -4.173 0.000) 4.173 17.634 ( 0.000 14.989 0.000) 14.989 18.221 ( 0.000 -9.484 0.000) 9.484 18.251 ( 0.000 -5.249 0.000) 5.249 18.257 ( 0.000 -7.261 0.000) 7.261 18.372 ( 0.000 -4.313 0.000) 4.313 18.426 ( 0.000 -4.233 0.000) 4.233 18.522 ( 0.000 -16.520 0.000) 16.520 18.785 ( 0.000 -3.384 0.000) 3.384 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 15.615 19.018 13.601) 28.117 1.555 ( 0.055 31.202 13.362) 33.943 1.601 ( 17.258 25.281 -0.761) 30.620 1.765 ( 1.110 5.832 -6.177) 8.567 1.923 ( -7.416 4.750 -2.192) 9.075 2.044 ( -2.847 3.930 -2.817) 5.611 2.228 ( 0.708 6.615 -6.684) 9.431 2.306 ( 6.582 -2.978 -4.853) 8.703 2.375 ( 0.848 5.552 6.816) 8.832 2.441 ( -0.260 5.858 0.979) 5.945 2.613 ( -4.403 7.282 -0.840) 8.551 2.648 ( -10.131 5.125 0.633) 11.371 2.724 ( -0.086 -1.280 -4.085) 4.281 2.771 ( -0.947 7.987 -2.990) 8.581 2.885 ( -4.614 7.342 2.984) 9.170 2.937 ( -3.025 -1.318 -1.616) 3.674 2.953 ( 2.515 0.084 3.836) 4.588 3.043 ( 0.498 4.137 -0.277) 4.176 3.143 ( -6.045 -8.765 1.615) 10.769 3.232 ( -2.452 0.516 -1.598) 2.972 3.293 ( 2.579 4.614 -0.163) 5.288 3.409 ( 3.058 1.787 1.999) 4.067 3.515 ( -1.171 2.777 -3.980) 4.992 3.586 ( 1.518 -2.032 3.780) 4.552 3.698 ( -3.199 0.345 -4.077) 5.194 3.798 ( 5.129 -3.750 -0.399) 6.366 3.845 ( -3.482 -2.533 1.900) 4.706 4.007 ( -0.328 -0.743 -1.070) 1.344 4.077 ( 4.581 -0.802 3.210) 5.651 4.100 ( -0.328 4.978 0.213) 4.994 4.206 ( -2.653 6.539 -3.035) 7.681 4.248 ( -2.929 -2.599 -1.008) 4.044 4.278 ( -0.293 1.328 -5.392) 5.561 4.334 ( -6.728 -2.268 -3.550) 7.938 4.448 ( -1.334 1.831 -5.234) 5.703 4.518 ( 1.629 -2.648 1.109) 3.301 4.666 ( 2.140 -4.042 4.993) 6.771 4.687 ( 3.102 0.849 -3.966) 5.106 4.759 ( 0.793 2.986 1.999) 3.679 4.856 ( -2.935 0.654 0.711) 3.090 4.927 ( 2.079 -2.711 -0.210) 3.423 4.945 ( 0.685 0.301 -1.918) 2.059 4.995 ( -0.684 -2.035 0.692) 2.256 5.054 ( -3.669 -5.665 7.555) 10.130 5.192 ( -0.416 -1.309 2.468) 2.825 5.220 ( 2.860 -2.306 -3.080) 4.794 5.325 ( 4.760 1.783 0.443) 5.102 5.335 ( -1.043 -4.361 -3.541) 5.714 5.583 ( -2.509 -4.020 4.147) 6.298 5.613 ( -2.434 -0.549 0.910) 2.656 5.777 ( 1.975 2.735 2.458) 4.174 5.842 ( -1.162 2.982 4.796) 5.766 6.030 ( -5.149 2.157 -1.225) 5.715 6.255 ( -0.243 0.663 -1.778) 1.913 6.360 ( -4.576 -8.121 -1.168) 9.395 6.416 ( 1.951 -7.394 -0.668) 7.676 6.458 ( -0.700 -2.706 -2.049) 3.466 6.648 ( -1.832 -1.930 0.216) 2.670 6.714 ( -1.470 -7.525 3.156) 8.292 6.849 ( -1.970 -4.145 -2.407) 5.182 6.901 ( 1.361 -1.389 5.578) 5.908 6.964 ( 6.090 0.141 6.598) 8.980 6.993 ( 0.412 -6.465 6.618) 9.261 7.116 ( 0.627 0.439 -5.006) 5.064 7.160 ( 2.811 -2.797 -6.568) 7.673 7.360 ( 8.977 8.337 -2.357) 12.476 7.393 ( 0.675 -1.249 -0.934) 1.700 7.593 ( 1.326 -5.980 1.747) 6.370 7.630 ( -1.158 1.490 -0.031) 1.888 7.739 ( 0.568 4.734 -3.290) 5.793 7.856 ( 1.141 5.246 3.012) 6.156 7.987 ( -4.208 0.200 1.420) 4.446 8.023 ( -0.282 3.498 -1.018) 3.654 8.033 ( 6.161 4.696 0.433) 7.759 8.096 ( -3.445 -1.301 0.508) 3.717 8.236 ( -2.528 2.274 -0.950) 3.531 8.464 ( -2.370 0.612 -0.225) 2.458 8.517 ( 1.114 4.598 2.125) 5.187 8.519 ( 1.087 -0.999 -0.007) 1.477 8.731 ( -1.486 -0.363 -1.688) 2.278 12.119 ( -0.051 5.986 -0.053) 5.987 12.254 ( -3.535 4.913 -0.495) 6.073 12.668 ( 0.273 -4.835 -0.390) 4.858 12.872 ( 3.034 -6.484 0.459) 7.173 13.913 ( -0.277 0.346 0.530) 0.691 13.978 ( -0.734 -1.563 -2.809) 3.297 14.054 ( -0.415 -1.411 2.210) 2.655 14.116 ( 0.609 1.064 0.024) 1.226 14.146 ( 0.108 -1.760 -0.196) 1.774 14.193 ( 0.106 -0.922 1.852) 2.072 14.317 ( -1.829 1.200 -3.014) 3.724 14.343 ( -0.954 1.967 0.463) 2.234 14.372 ( 0.317 3.882 -2.164) 4.456 14.443 ( 1.128 2.176 2.197) 3.291 14.572 ( 2.046 1.503 3.300) 4.163 14.613 ( -4.004 1.058 -4.179) 5.883 14.757 ( -1.419 2.361 -0.539) 2.806 14.783 ( -1.010 5.477 4.492) 7.155 14.890 ( 4.305 6.159 -1.027) 7.584 15.017 ( -6.931 -3.231 -6.397) 9.970 17.768 ( 9.276 13.775 6.366) 17.786 18.066 ( -9.511 -14.205 -5.845) 18.066 18.266 ( 0.155 -3.038 2.439) 3.899 18.318 ( 1.007 -13.495 -3.048) 13.871 18.322 ( -1.187 -3.757 -5.661) 6.897 18.455 ( 2.429 -5.065 4.013) 6.904 18.536 ( -2.172 -9.193 3.800) 10.182 18.800 ( 0.647 -2.646 1.300) 3.018 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 6.305 18.025 10.969) 22.022 1.682 ( 2.896 24.230 0.974) 24.421 1.704 ( 3.997 6.603 -10.678) 13.176 1.780 ( -1.342 4.780 -6.313) 8.032 1.796 ( -10.064 1.110 -6.225) 11.886 2.006 ( 10.787 14.939 5.431) 19.211 2.182 ( -2.624 7.628 -6.746) 10.516 2.304 ( -4.274 -10.961 -1.737) 11.893 2.402 ( -5.506 3.057 2.582) 6.806 2.475 ( 0.722 1.212 -0.019) 1.411 2.522 ( -4.103 0.542 -2.636) 4.907 2.564 ( 5.103 6.717 10.413) 13.401 2.689 ( -2.161 0.001 3.046) 3.735 2.773 ( 4.127 9.269 -2.287) 10.401 2.864 ( -0.365 4.221 3.688) 5.617 2.872 ( -0.898 1.122 -4.017) 4.266 2.966 ( -3.694 -6.872 1.450) 7.936 3.023 ( -0.477 -1.606 -2.778) 3.245 3.077 ( -3.228 4.721 4.268) 7.136 3.220 ( 1.428 2.053 1.744) 3.049 3.335 ( 1.209 5.210 -1.521) 5.561 3.398 ( -5.890 5.318 -4.058) 8.913 3.461 ( 2.221 -2.589 3.077) 4.594 3.630 ( 0.249 1.032 2.617) 2.824 3.720 ( 4.573 1.466 -0.514) 4.829 3.755 ( -3.694 -5.793 1.135) 6.964 3.877 ( 3.391 -0.906 1.415) 3.785 3.986 ( -6.779 6.278 -2.170) 9.491 4.040 ( 0.324 7.340 -3.224) 8.024 4.101 ( -2.318 1.210 -6.578) 7.078 4.186 ( -3.171 5.975 1.380) 6.903 4.257 ( 3.796 1.653 1.512) 4.408 4.279 ( 6.271 0.939 -5.551) 8.428 4.351 ( 6.267 0.604 7.361) 9.686 4.382 ( 1.798 2.466 0.021) 3.052 4.553 ( 0.927 -1.463 2.015) 2.657 4.651 ( -5.131 5.078 -4.425) 8.467 4.721 ( 1.310 2.193 -1.155) 2.803 4.787 ( -2.616 -0.425 3.173) 4.134 4.854 ( 4.476 -1.689 -0.174) 4.787 4.869 ( -2.390 -0.864 2.488) 3.556 4.936 ( -1.846 0.130 -5.599) 5.897 4.974 ( 0.324 -3.368 -0.831) 3.485 5.056 ( -0.431 -1.405 -1.114) 1.844 5.143 ( -7.734 -1.990 -3.643) 8.777 5.262 ( -1.480 -0.576 2.544) 2.999 5.281 ( 1.979 -3.603 5.082) 6.537 5.435 ( 4.716 -2.199 0.910) 5.282 5.532 ( -4.286 -6.734 1.155) 8.065 5.620 ( -0.002 -2.459 -0.532) 2.516 5.775 ( -1.247 -0.200 0.654) 1.422 5.896 ( 1.030 -3.159 -0.793) 3.416 6.026 ( 2.802 6.203 4.735) 8.291 6.172 ( -3.130 -6.008 -3.315) 7.542 6.334 ( 0.334 -5.457 3.391) 6.433 6.374 ( -5.299 -0.132 -1.974) 5.656 6.437 ( 1.833 -4.447 -3.945) 6.222 6.637 ( -1.109 -3.616 1.907) 4.236 6.744 ( -5.113 -3.054 -2.227) 6.358 6.755 ( 0.989 -10.388 3.184) 10.910 6.948 ( -1.538 -0.790 5.756) 6.011 6.981 ( -3.955 -4.600 5.717) 8.336 7.031 ( 0.944 -3.595 -4.745) 6.027 7.176 ( 5.549 -2.626 -0.631) 6.172 7.241 ( 5.715 5.245 1.649) 7.930 7.382 ( 1.791 0.023 -5.547) 5.829 7.462 ( 2.692 -4.915 -3.559) 6.638 7.604 ( 0.380 0.364 0.687) 0.866 7.675 ( 2.949 0.825 4.852) 5.738 7.739 ( 2.786 0.809 -5.068) 5.840 7.875 ( 0.463 4.924 -4.751) 6.858 7.931 ( -3.794 2.647 6.772) 8.202 7.994 ( -1.747 1.676 1.237) 2.719 8.021 ( -3.935 -0.263 -0.568) 3.984 8.169 ( 4.326 1.585 0.658) 4.654 8.227 ( 2.590 3.507 1.769) 4.706 8.397 ( -3.146 3.908 -0.844) 5.087 8.534 ( -0.552 5.228 0.233) 5.262 8.549 ( 0.445 -0.928 1.000) 1.435 8.681 ( -1.491 2.072 -1.872) 3.165 12.107 ( -0.772 5.573 -0.613) 5.660 12.207 ( -1.237 7.532 0.348) 7.641 12.666 ( 0.086 -4.594 -0.452) 4.617 12.911 ( 1.081 -7.088 -0.418) 7.182 13.904 ( -0.668 -1.938 -1.774) 2.711 13.932 ( -1.638 0.368 0.177) 1.689 14.081 ( 2.746 -0.932 -1.546) 3.286 14.123 ( 0.158 0.452 0.453) 0.659 14.139 ( -2.134 -1.600 0.249) 2.679 14.167 ( -1.048 -1.544 0.215) 1.878 14.285 ( 0.505 1.726 -0.710) 1.933 14.323 ( -1.234 1.313 -2.314) 2.933 14.359 ( 0.319 0.483 2.657) 2.719 14.518 ( -0.935 3.257 -1.652) 3.770 14.545 ( 1.220 1.677 2.834) 3.512 14.654 ( 0.946 2.369 2.319) 3.447 14.684 ( -2.055 0.077 -0.850) 2.225 14.826 ( -3.621 0.509 -0.038) 3.656 14.863 ( 1.126 5.041 1.239) 5.312 15.004 ( 5.971 2.910 0.867) 6.699 17.788 ( -9.099 -15.750 -8.030) 19.883 18.035 ( 9.801 9.217 4.006) 14.038 18.157 ( -5.149 -18.508 -2.308) 19.349 18.308 ( -0.714 -0.625 0.240) 0.979 18.353 ( 1.773 -2.980 -2.455) 4.249 18.509 ( -3.459 -4.647 2.868) 6.464 18.535 ( 3.729 -2.338 4.675) 6.421 18.795 ( -2.429 -0.661 -0.974) 2.699 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 0.000 3.853 -0.000) 3.853 1.645 ( 0.000 14.420 0.000) 14.420 1.738 ( -0.000 6.242 0.000) 6.242 1.771 ( 0.000 17.122 -0.000) 17.122 1.812 ( 0.000 7.826 0.000) 7.826 2.042 ( 0.000 3.535 -0.000) 3.535 2.068 ( -0.000 15.060 0.000) 15.060 2.292 ( 0.000 -7.318 0.000) 7.318 2.382 ( 0.000 3.914 -0.000) 3.914 2.394 ( -0.000 -10.376 0.000) 10.376 2.546 ( 0.000 -0.984 0.000) 0.984 2.658 ( -0.000 6.611 0.000) 6.611 2.665 ( 0.000 5.037 -0.000) 5.037 2.820 ( 0.000 1.573 -0.000) 1.573 2.859 ( -0.000 1.787 0.000) 1.787 2.921 ( -0.000 -7.179 0.000) 7.179 2.943 ( 0.000 6.399 0.000) 6.399 3.001 ( -0.000 -2.021 -0.000) 2.021 3.070 ( -0.000 6.705 -0.000) 6.705 3.244 ( 0.000 4.532 -0.000) 4.532 3.305 ( -0.000 0.422 0.000) 0.422 3.339 ( 0.000 9.459 0.000) 9.459 3.567 ( -0.000 -3.393 0.000) 3.393 3.636 ( 0.000 -2.319 -0.000) 2.319 3.684 ( -0.000 1.914 0.000) 1.914 3.797 ( -0.000 -6.052 -0.000) 6.052 3.820 ( 0.000 4.460 0.000) 4.460 3.965 ( -0.000 2.504 -0.000) 2.504 4.044 ( -0.000 11.107 0.000) 11.107 4.075 ( 0.000 4.528 0.000) 4.528 4.083 ( -0.000 6.784 -0.000) 6.784 4.281 ( 0.000 1.844 -0.000) 1.844 4.344 ( -0.000 2.171 0.000) 2.171 4.428 ( 0.000 5.134 0.000) 5.134 4.491 ( 0.000 -0.260 0.000) 0.260 4.586 ( -0.000 6.415 -0.000) 6.415 4.601 ( -0.000 1.824 -0.000) 1.824 4.708 ( 0.000 0.410 0.000) 0.410 4.731 ( 0.000 3.965 -0.000) 3.965 4.830 ( -0.000 -6.584 0.000) 6.584 4.893 ( 0.000 -1.491 0.000) 1.491 4.924 ( -0.000 -0.533 0.000) 0.533 4.981 ( 0.000 -0.167 -0.000) 0.167 5.018 ( -0.000 -3.713 0.000) 3.713 5.061 ( -0.000 0.463 -0.000) 0.463 5.190 ( -0.000 1.351 -0.000) 1.351 5.441 ( 0.000 -12.499 0.000) 12.499 5.451 ( -0.000 -1.876 -0.000) 1.876 5.474 ( 0.000 -3.013 0.000) 3.013 5.599 ( -0.000 -0.475 0.000) 0.475 5.771 ( 0.000 -3.379 -0.000) 3.379 5.886 ( -0.000 -5.968 0.000) 5.968 6.078 ( 0.000 -2.196 0.000) 2.196 6.183 ( 0.000 3.269 0.000) 3.269 6.270 ( -0.000 0.861 -0.000) 0.861 6.385 ( 0.000 -3.572 0.000) 3.572 6.405 ( -0.000 -5.265 -0.000) 5.265 6.635 ( 0.000 -3.676 -0.000) 3.676 6.680 ( -0.000 -2.662 0.000) 2.662 6.782 ( 0.000 -12.748 0.000) 12.748 6.963 ( 0.000 -3.202 -0.000) 3.202 6.973 ( -0.000 -1.994 0.000) 1.994 7.025 ( -0.000 -3.896 0.000) 3.896 7.237 ( 0.000 -3.702 -0.000) 3.702 7.286 ( -0.000 4.411 0.000) 4.411 7.372 ( 0.000 3.930 -0.000) 3.930 7.444 ( -0.000 -6.925 0.000) 6.925 7.635 ( 0.000 2.261 0.000) 2.261 7.718 ( 0.000 -5.702 -0.000) 5.702 7.757 ( -0.000 0.423 0.000) 0.423 7.829 ( 0.000 5.579 0.000) 5.579 7.959 ( 0.000 2.786 0.000) 2.786 7.961 ( -0.000 3.044 -0.000) 3.044 7.989 ( 0.000 0.404 -0.000) 0.404 8.195 ( -0.000 -0.660 0.000) 0.660 8.305 ( 0.000 5.054 -0.000) 5.054 8.352 ( -0.000 6.428 -0.000) 6.428 8.515 ( 0.000 4.178 0.000) 4.178 8.558 ( -0.000 -0.329 -0.000) 0.329 8.658 ( -0.000 3.671 -0.000) 3.671 12.094 ( 0.000 5.555 0.000) 5.555 12.201 ( -0.000 7.838 0.000) 7.838 12.664 ( 0.000 -4.499 0.000) 4.499 12.916 ( -0.000 -6.797 -0.000) 6.797 13.880 ( 0.000 -1.215 0.000) 1.215 13.923 ( 0.000 -1.915 0.000) 1.915 14.100 ( 0.000 -5.654 -0.000) 5.654 14.111 ( -0.000 2.200 0.000) 2.200 14.130 ( 0.000 1.113 0.000) 1.113 14.174 ( 0.000 -1.827 0.000) 1.827 14.290 ( 0.000 1.892 -0.000) 1.892 14.292 ( -0.000 0.360 0.000) 0.360 14.421 ( 0.000 2.467 0.000) 2.467 14.430 ( -0.000 -3.055 -0.000) 3.055 14.591 ( 0.000 1.942 0.000) 1.942 14.609 ( -0.000 6.836 -0.000) 6.836 14.724 ( -0.000 1.644 -0.000) 1.644 14.780 ( 0.000 -0.764 -0.000) 0.764 14.914 ( 0.000 6.096 -0.000) 6.096 15.071 ( -0.000 0.961 0.000) 0.961 17.643 ( 0.000 -16.721 -0.000) 16.721 18.077 ( -0.000 -20.496 0.000) 20.496 18.216 ( 0.000 7.133 0.000) 7.133 18.260 ( -0.000 1.480 -0.000) 1.480 18.341 ( -0.000 -3.398 0.000) 3.398 18.490 ( -0.000 -3.670 0.000) 3.670 18.678 ( 0.000 -0.148 0.000) 0.148 18.692 ( -0.000 0.775 -0.000) 0.775 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 23.310 0.000) 23.310 1.838 ( 0.000 -2.911 0.000) 2.911 1.866 ( 0.000 -1.164 0.000) 1.164 1.962 ( 0.000 10.525 0.000) 10.525 2.094 ( 0.000 21.358 0.000) 21.358 2.153 ( 0.000 5.925 0.000) 5.925 2.237 ( 0.000 -0.588 0.000) 0.588 2.326 ( 0.000 -7.797 0.000) 7.797 2.475 ( 0.000 11.071 0.000) 11.071 2.610 ( 0.000 11.224 0.000) 11.224 2.642 ( 0.000 -6.664 0.000) 6.664 2.699 ( 0.000 -3.078 0.000) 3.078 2.785 ( 0.000 -12.329 0.000) 12.329 2.821 ( 0.000 -2.516 0.000) 2.516 2.918 ( 0.000 5.942 0.000) 5.942 3.047 ( 0.000 5.023 0.000) 5.023 3.100 ( 0.000 16.662 0.000) 16.662 3.151 ( 0.000 5.106 0.000) 5.106 3.224 ( 0.000 11.773 0.000) 11.773 3.304 ( 0.000 0.804 0.000) 0.804 3.354 ( 0.000 4.198 0.000) 4.198 3.378 ( 0.000 -2.077 0.000) 2.077 3.540 ( 0.000 -2.970 0.000) 2.970 3.552 ( 0.000 5.339 0.000) 5.339 3.765 ( 0.000 1.296 0.000) 1.296 3.779 ( 0.000 2.085 0.000) 2.085 3.825 ( 0.000 6.648 0.000) 6.648 3.942 ( 0.000 -6.388 0.000) 6.388 4.083 ( 0.000 1.687 0.000) 1.687 4.118 ( 0.000 -8.758 0.000) 8.758 4.181 ( 0.000 -8.054 0.000) 8.054 4.261 ( 0.000 4.767 0.000) 4.767 4.325 ( 0.000 -0.877 0.000) 0.877 4.385 ( 0.000 1.007 0.000) 1.007 4.466 ( 0.000 4.341 0.000) 4.341 4.608 ( 0.000 7.260 0.000) 7.260 4.644 ( 0.000 0.414 0.000) 0.414 4.660 ( 0.000 -4.000 0.000) 4.000 4.682 ( 0.000 -2.446 0.000) 2.446 4.859 ( 0.000 -2.296 0.000) 2.296 4.899 ( 0.000 1.809 0.000) 1.809 4.921 ( 0.000 1.203 0.000) 1.203 4.982 ( 0.000 -3.566 0.000) 3.566 5.001 ( 0.000 -0.423 0.000) 0.423 5.108 ( 0.000 3.751 0.000) 3.751 5.219 ( 0.000 -1.395 0.000) 1.395 5.260 ( 0.000 -0.767 0.000) 0.767 5.267 ( 0.000 -0.484 0.000) 0.484 5.562 ( 0.000 -1.255 0.000) 1.255 5.648 ( 0.000 -1.312 0.000) 1.312 5.739 ( 0.000 -6.258 0.000) 6.258 5.853 ( 0.000 -1.181 0.000) 1.181 6.090 ( 0.000 -8.605 0.000) 8.605 6.216 ( 0.000 -8.220 0.000) 8.220 6.227 ( 0.000 0.397 0.000) 0.397 6.317 ( 0.000 -2.769 0.000) 2.769 6.537 ( 0.000 2.930 0.000) 2.930 6.581 ( 0.000 -2.261 0.000) 2.261 6.729 ( 0.000 0.673 0.000) 0.673 6.757 ( 0.000 -1.832 0.000) 1.832 6.763 ( 0.000 -2.912 0.000) 2.912 6.846 ( 0.000 -0.457 0.000) 0.457 6.865 ( 0.000 -3.481 0.000) 3.481 7.118 ( 0.000 -1.752 0.000) 1.752 7.141 ( 0.000 -2.338 0.000) 2.338 7.388 ( 0.000 -5.356 0.000) 5.356 7.439 ( 0.000 3.486 0.000) 3.486 7.498 ( 0.000 5.068 0.000) 5.068 7.767 ( 0.000 5.692 0.000) 5.692 7.784 ( 0.000 1.965 0.000) 1.965 7.894 ( 0.000 3.367 0.000) 3.367 8.015 ( 0.000 0.457 0.000) 0.457 8.026 ( 0.000 1.143 0.000) 1.143 8.084 ( 0.000 0.764 0.000) 0.764 8.164 ( 0.000 4.234 0.000) 4.234 8.334 ( 0.000 0.811 0.000) 0.811 8.447 ( 0.000 -0.912 0.000) 0.912 8.499 ( 0.000 -2.040 0.000) 2.040 8.554 ( 0.000 4.051 0.000) 4.051 8.727 ( 0.000 -1.531 0.000) 1.531 12.247 ( 0.000 7.011 0.000) 7.011 12.349 ( 0.000 3.188 0.000) 3.188 12.573 ( 0.000 -4.520 0.000) 4.520 12.711 ( 0.000 -7.454 0.000) 7.454 13.927 ( 0.000 0.346 0.000) 0.346 13.956 ( 0.000 -1.664 0.000) 1.664 14.029 ( 0.000 -0.049 0.000) 0.049 14.120 ( 0.000 -1.545 0.000) 1.545 14.150 ( 0.000 1.615 0.000) 1.615 14.157 ( 0.000 0.965 0.000) 0.965 14.328 ( 0.000 -0.179 0.000) 0.179 14.372 ( 0.000 -0.793 0.000) 0.793 14.435 ( 0.000 1.492 0.000) 1.492 14.453 ( 0.000 1.551 0.000) 1.551 14.595 ( 0.000 4.821 0.000) 4.821 14.739 ( 0.000 1.644 0.000) 1.644 14.840 ( 0.000 1.277 0.000) 1.277 14.885 ( 0.000 7.007 0.000) 7.007 14.981 ( 0.000 4.808 0.000) 4.808 15.036 ( 0.000 -4.730 0.000) 4.730 17.900 ( 0.000 -9.369 0.000) 9.369 17.956 ( 0.000 9.961 0.000) 9.961 18.010 ( 0.000 -17.561 0.000) 17.561 18.233 ( 0.000 -0.031 0.000) 0.031 18.284 ( 0.000 -3.267 0.000) 3.267 18.337 ( 0.000 -4.060 0.000) 4.060 18.352 ( 0.000 -3.429 0.000) 3.429 18.690 ( 0.000 -6.707 0.000) 6.707 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 8.405 12.808 6.445) 16.620 1.732 ( 2.915 -2.833 -8.859) 9.747 1.898 ( -7.187 -5.782 5.944) 10.973 1.974 ( -2.600 9.788 5.475) 11.513 2.093 ( 4.375 15.229 -4.199) 16.392 2.134 ( -3.024 10.549 3.580) 11.544 2.267 ( -5.639 0.595 -0.747) 5.719 2.355 ( 1.290 0.076 -3.446) 3.680 2.369 ( -0.650 1.775 3.326) 3.826 2.538 ( -3.004 -0.950 -0.383) 3.174 2.627 ( -3.084 -2.532 -4.137) 5.748 2.696 ( -6.797 -7.518 -3.349) 10.674 2.729 ( -1.377 5.724 5.007) 7.728 2.792 ( -1.786 0.934 -3.185) 3.770 2.945 ( -3.165 4.389 -1.095) 5.521 2.975 ( -1.071 7.463 8.595) 11.433 3.077 ( 0.284 6.716 -9.372) 11.534 3.111 ( 2.915 4.484 -2.220) 5.790 3.184 ( -4.166 6.861 -1.558) 8.176 3.289 ( -4.035 5.422 4.874) 8.333 3.354 ( -1.663 -1.008 0.003) 1.944 3.468 ( 5.917 3.309 0.626) 6.809 3.583 ( 2.814 3.450 2.163) 4.949 3.598 ( 2.300 2.487 -0.408) 3.412 3.708 ( -2.639 0.390 -0.182) 2.673 3.761 ( 1.265 1.895 -4.044) 4.641 3.834 ( -2.679 2.155 0.963) 3.570 3.979 ( 6.633 -1.026 -0.041) 6.712 4.073 ( 6.017 0.007 1.393) 6.176 4.146 ( 0.403 0.357 -1.800) 1.879 4.192 ( 0.214 -2.613 -1.627) 3.086 4.300 ( -2.442 0.844 3.147) 4.072 4.328 ( 1.849 5.266 0.513) 5.605 4.401 ( 1.453 2.247 -3.903) 4.732 4.447 ( 1.911 1.935 -1.111) 2.938 4.540 ( -1.747 3.400 -2.218) 4.419 4.610 ( -2.851 0.280 3.198) 4.293 4.676 ( 2.420 -1.259 1.711) 3.220 4.792 ( 4.271 -2.226 4.028) 6.279 4.825 ( -1.325 -3.004 -0.958) 3.420 4.899 ( -0.708 -4.057 0.269) 4.127 4.927 ( -3.561 1.154 -2.797) 4.673 4.965 ( 0.857 -0.317 4.560) 4.651 5.005 ( 1.130 1.605 -1.202) 2.301 5.133 ( -2.224 -3.157 -3.271) 5.060 5.219 ( 2.678 2.381 -1.649) 3.944 5.250 ( 0.644 -1.431 -0.084) 1.571 5.364 ( 6.345 1.459 1.014) 6.589 5.515 ( -7.522 -3.564 1.063) 8.391 5.592 ( -1.832 -2.964 -1.290) 3.716 5.747 ( 1.942 -5.850 -1.247) 6.288 5.846 ( -1.402 -2.524 0.063) 2.888 6.074 ( -0.200 -0.328 1.162) 1.224 6.190 ( -2.132 -7.996 0.242) 8.279 6.220 ( -0.867 -2.743 -0.479) 2.916 6.270 ( -3.374 -5.137 -1.873) 6.425 6.484 ( -1.834 2.687 -2.275) 3.969 6.577 ( -1.298 -4.637 1.190) 4.960 6.672 ( -4.702 2.870 2.047) 5.877 6.783 ( 0.760 -1.874 -1.105) 2.304 6.869 ( 0.534 -2.290 5.020) 5.543 6.880 ( 1.964 -3.527 4.335) 5.923 6.956 ( 7.809 -1.515 5.050) 9.423 7.046 ( -4.604 -3.070 -4.600) 7.196 7.149 ( 4.571 -2.474 -2.451) 5.746 7.396 ( -0.702 -3.363 -1.653) 3.812 7.477 ( 0.888 -0.570 3.732) 3.879 7.529 ( 4.867 7.693 -1.529) 9.231 7.697 ( -3.465 4.131 -0.561) 5.421 7.798 ( 1.803 2.184 -2.602) 3.846 7.942 ( 1.409 3.072 3.296) 4.721 7.989 ( -1.797 0.981 -0.896) 2.235 8.035 ( -2.341 -0.968 2.483) 3.547 8.060 ( -2.292 -0.845 -1.165) 2.706 8.168 ( 2.982 5.524 -1.651) 6.491 8.279 ( -2.149 1.655 -2.480) 3.676 8.461 ( 0.139 -0.420 0.983) 1.078 8.498 ( 0.705 -1.143 0.292) 1.375 8.604 ( 2.428 4.027 1.676) 4.992 8.725 ( 0.395 -0.358 -1.114) 1.235 12.244 ( -0.344 6.872 -0.295) 6.887 12.342 ( -0.793 4.372 0.561) 4.479 12.576 ( 0.235 -4.436 0.036) 4.442 12.728 ( 1.338 -8.355 0.216) 8.464 13.916 ( -0.957 0.099 -0.898) 1.316 13.955 ( 0.618 -0.941 -0.650) 1.300 14.035 ( -0.679 -0.407 1.862) 2.024 14.104 ( -0.897 -1.979 -0.334) 2.198 14.154 ( 0.646 1.955 0.799) 2.209 14.197 ( 1.386 1.138 1.186) 2.150 14.331 ( -0.009 0.387 -0.522) 0.650 14.357 ( -0.145 -0.389 -1.498) 1.555 14.458 ( 0.169 4.152 -0.559) 4.193 14.483 ( -0.061 2.118 3.221) 3.856 14.585 ( 1.333 0.788 -0.470) 1.619 14.654 ( -5.550 2.475 -1.173) 6.189 14.783 ( -3.538 1.283 -0.816) 3.850 14.911 ( -1.694 4.635 3.985) 6.343 14.934 ( -3.744 -1.612 -4.446) 6.032 15.016 ( 3.323 4.479 -1.487) 5.772 17.753 ( -9.927 -14.742 -7.996) 19.489 17.911 ( -7.756 -20.379 -4.990) 22.369 18.063 ( 7.295 14.325 5.452) 16.975 18.266 ( 1.807 -0.521 2.713) 3.301 18.292 ( 2.658 -1.025 -2.857) 4.034 18.374 ( 3.064 -3.193 3.550) 5.673 18.410 ( 1.116 -4.790 2.869) 5.694 18.721 ( 2.275 -5.683 1.624) 6.333 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 5.907 -13.080 -15.645) 21.231 1.745 ( -13.387 -8.940 7.008) 17.557 1.848 ( -10.363 2.095 -10.355) 14.799 1.935 ( -0.200 14.057 9.382) 16.902 1.961 ( -3.990 -4.856 -1.068) 6.375 2.099 ( -3.465 7.679 1.022) 8.486 2.187 ( 1.905 3.505 -3.733) 5.464 2.330 ( -5.215 -2.273 -5.308) 7.781 2.373 ( -1.989 0.833 0.881) 2.329 2.509 ( -2.220 3.392 5.826) 7.097 2.562 ( -1.213 2.919 -0.903) 3.288 2.681 ( 7.769 1.222 7.550) 10.902 2.736 ( -0.389 3.659 1.321) 3.909 2.812 ( 2.699 0.079 -1.448) 3.064 2.873 ( -1.165 5.690 -5.214) 7.805 3.008 ( 0.091 10.666 0.066) 10.667 3.026 ( -0.399 5.297 -0.107) 5.313 3.057 ( -4.501 6.587 -1.079) 8.051 3.200 ( 3.931 -3.858 2.372) 5.997 3.282 ( -1.886 10.929 4.653) 12.026 3.338 ( -1.466 1.896 3.132) 3.944 3.491 ( -1.414 -1.643 1.625) 2.709 3.567 ( -2.004 4.864 -0.994) 5.354 3.641 ( -0.659 4.319 -2.301) 4.938 3.711 ( 4.200 0.420 -1.369) 4.438 3.787 ( 1.376 8.480 -2.801) 9.036 3.845 ( 5.000 -2.449 3.491) 6.571 4.063 ( -5.194 1.191 -6.224) 8.194 4.113 ( -0.829 2.067 -1.095) 2.482 4.181 ( 7.499 6.517 4.532) 10.920 4.273 ( 8.309 0.864 4.019) 9.270 4.315 ( 2.576 4.470 -0.392) 5.174 4.348 ( -1.363 3.314 -4.220) 5.536 4.405 ( 1.932 5.417 3.005) 6.489 4.471 ( 1.996 5.760 -0.809) 6.150 4.532 ( 2.411 1.006 2.580) 3.671 4.665 ( 2.736 -4.057 0.710) 4.945 4.745 ( 1.407 1.458 0.708) 2.146 4.757 ( -4.145 -3.279 2.487) 5.841 4.801 ( -1.479 0.074 -2.485) 2.892 4.867 ( 0.329 -5.330 -3.128) 6.188 4.936 ( -0.402 1.944 4.752) 5.150 4.950 ( -1.053 1.834 -5.103) 5.524 5.034 ( -0.237 -1.115 1.595) 1.960 5.111 ( -3.077 -1.380 -0.407) 3.397 5.137 ( -2.737 -6.609 0.645) 7.182 5.233 ( -0.033 -4.529 -3.681) 5.836 5.399 ( 0.457 -2.389 -4.948) 5.513 5.433 ( -4.145 -2.546 3.667) 6.091 5.618 ( 4.243 1.829 -1.599) 4.889 5.754 ( -1.072 -2.057 0.678) 2.417 5.792 ( -2.517 -7.507 -4.129) 8.930 6.061 ( -5.157 -2.190 -1.771) 5.876 6.142 ( 3.394 1.532 3.076) 4.829 6.243 ( 0.833 -4.785 5.063) 7.016 6.249 ( 0.862 -8.122 -2.459) 8.529 6.452 ( -0.087 1.983 -2.212) 2.972 6.559 ( -1.681 -7.112 1.991) 7.574 6.624 ( -3.855 2.136 3.033) 5.350 6.725 ( -4.568 0.041 -3.359) 5.670 6.878 ( -3.514 -4.129 6.549) 8.502 6.934 ( 0.017 -1.073 1.849) 2.138 6.970 ( 1.326 -1.402 -1.094) 2.219 7.131 ( 4.642 -2.800 1.614) 5.656 7.236 ( 5.475 -6.508 -3.479) 9.189 7.365 ( 0.916 -3.001 -1.743) 3.589 7.455 ( -1.972 4.906 -1.587) 5.521 7.628 ( 1.734 3.676 2.349) 4.695 7.695 ( 1.994 0.311 3.884) 4.377 7.774 ( -0.512 2.319 -5.367) 5.869 7.937 ( -1.367 1.506 -3.186) 3.780 7.979 ( -2.159 -0.142 1.126) 2.439 7.994 ( -1.128 -0.062 2.639) 2.871 8.014 ( -1.554 0.486 1.110) 1.970 8.205 ( 0.574 2.485 -0.633) 2.628 8.286 ( 4.269 1.776 0.165) 4.627 8.462 ( -0.305 2.667 0.566) 2.743 8.532 ( 1.442 -0.671 0.818) 1.788 8.631 ( -0.221 4.563 -0.498) 4.595 8.726 ( 0.594 2.101 -0.591) 2.262 12.228 ( -0.744 6.884 -0.546) 6.945 12.339 ( -0.185 5.972 0.777) 6.025 12.579 ( 0.110 -4.174 -0.046) 4.176 12.749 ( 0.671 -9.411 -0.097) 9.436 13.887 ( -0.788 0.126 -1.075) 1.338 13.943 ( -1.614 0.269 -0.044) 1.637 14.037 ( -0.226 -1.979 -2.185) 2.957 14.102 ( 0.821 -1.352 2.002) 2.551 14.169 ( 0.315 2.074 0.254) 2.113 14.197 ( -2.064 3.479 -0.255) 4.053 14.299 ( -0.891 0.080 -2.269) 2.439 14.334 ( -2.456 -0.319 -1.205) 2.754 14.372 ( 0.267 1.435 -0.728) 1.631 14.546 ( -6.580 0.038 -0.838) 6.633 14.596 ( 4.064 2.399 2.466) 5.325 14.670 ( 4.277 0.040 2.945) 5.193 14.729 ( -0.328 3.654 0.038) 3.668 14.805 ( -3.522 -1.260 -0.363) 3.758 14.981 ( 0.936 5.939 5.744) 8.315 15.071 ( 3.516 3.488 -1.719) 5.242 17.467 ( -9.912 -15.469 -8.999) 20.458 17.707 ( -7.190 -23.057 -4.911) 24.647 18.224 ( 5.525 7.473 1.257) 9.379 18.294 ( 0.549 -0.141 -0.476) 0.740 18.337 ( 0.834 -0.542 1.410) 1.726 18.427 ( -1.326 -3.846 1.580) 4.364 18.514 ( 7.310 0.918 6.571) 9.873 18.767 ( 0.319 -2.468 0.142) 2.493 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.000 -1.301 -0.000) 1.301 1.619 ( -0.000 -20.946 0.000) 20.946 1.624 ( 0.000 -9.911 -0.000) 9.911 1.860 ( 0.000 -2.180 0.000) 2.180 2.035 ( -0.000 3.649 0.000) 3.649 2.044 ( 0.000 2.369 -0.000) 2.369 2.187 ( 0.000 10.551 -0.000) 10.551 2.261 ( -0.000 -0.540 0.000) 0.540 2.430 ( 0.000 -1.055 0.000) 1.055 2.457 ( -0.000 4.930 -0.000) 4.930 2.566 ( -0.000 10.771 0.000) 10.771 2.711 ( 0.000 -5.923 -0.000) 5.923 2.790 ( -0.000 1.233 -0.000) 1.233 2.803 ( -0.000 6.551 -0.000) 6.551 2.863 ( 0.000 5.746 0.000) 5.746 2.989 ( -0.000 9.989 0.000) 9.989 3.050 ( -0.000 4.118 -0.000) 4.118 3.055 ( 0.000 2.604 0.000) 2.604 3.246 ( 0.000 -0.071 -0.000) 0.071 3.289 ( -0.000 12.965 0.000) 12.965 3.355 ( 0.000 4.182 -0.000) 4.182 3.514 ( 0.000 5.028 0.000) 5.028 3.567 ( -0.000 0.687 -0.000) 0.687 3.578 ( 0.000 -3.354 0.000) 3.354 3.740 ( -0.000 1.949 -0.000) 1.949 3.797 ( -0.000 9.530 -0.000) 9.530 3.896 ( 0.000 0.430 0.000) 0.430 3.960 ( -0.000 0.246 0.000) 0.246 4.155 ( 0.000 3.560 0.000) 3.560 4.214 ( 0.000 5.671 -0.000) 5.671 4.287 ( -0.000 14.083 -0.000) 14.083 4.344 ( 0.000 4.203 -0.000) 4.203 4.417 ( -0.000 3.949 0.000) 3.949 4.470 ( -0.000 -1.134 0.000) 1.134 4.511 ( 0.000 1.874 0.000) 1.874 4.607 ( 0.000 0.048 -0.000) 0.048 4.610 ( -0.000 -0.667 0.000) 0.667 4.740 ( -0.000 -2.597 0.000) 2.597 4.781 ( 0.000 0.635 0.000) 0.635 4.811 ( 0.000 5.572 0.000) 5.572 4.839 ( 0.000 -3.099 -0.000) 3.099 4.876 ( 0.000 -3.714 0.000) 3.714 4.956 ( -0.000 -1.288 -0.000) 1.288 4.975 ( 0.000 -2.409 0.000) 2.409 5.091 ( 0.000 1.630 -0.000) 1.630 5.162 ( -0.000 -3.324 -0.000) 3.324 5.208 ( -0.000 -8.735 0.000) 8.735 5.391 ( 0.000 -4.830 -0.000) 4.830 5.396 ( 0.000 -3.362 0.000) 3.362 5.623 ( -0.000 -0.823 0.000) 0.823 5.730 ( 0.000 -0.434 -0.000) 0.434 5.754 ( 0.000 -4.330 -0.000) 4.330 6.020 ( 0.000 -1.862 0.000) 1.862 6.201 ( 0.000 -7.328 0.000) 7.328 6.223 ( -0.000 -2.022 -0.000) 2.022 6.322 ( -0.000 -3.852 -0.000) 3.852 6.421 ( -0.000 4.653 0.000) 4.653 6.561 ( 0.000 -9.408 0.000) 9.408 6.586 ( -0.000 0.585 -0.000) 0.585 6.651 ( 0.000 0.243 0.000) 0.243 6.884 ( 0.000 -2.147 -0.000) 2.147 6.963 ( 0.000 -3.037 -0.000) 3.037 6.965 ( -0.000 1.387 0.000) 1.387 7.182 ( 0.000 -3.376 -0.000) 3.376 7.247 ( -0.000 -10.291 0.000) 10.291 7.384 ( 0.000 -2.613 0.000) 2.613 7.423 ( 0.000 7.026 0.000) 7.026 7.668 ( 0.000 1.638 -0.000) 1.638 7.716 ( -0.000 4.429 0.000) 4.429 7.743 ( -0.000 -2.127 0.000) 2.127 7.903 ( 0.000 1.506 -0.000) 1.506 7.968 ( -0.000 -1.691 -0.000) 1.691 7.987 ( 0.000 0.888 0.000) 0.888 8.018 ( -0.000 1.624 0.000) 1.624 8.205 ( -0.000 1.929 0.000) 1.929 8.345 ( 0.000 -0.238 -0.000) 0.238 8.459 ( -0.000 4.413 -0.000) 4.413 8.552 ( 0.000 -0.239 -0.000) 0.239 8.617 ( -0.000 5.751 0.000) 5.751 8.729 ( 0.000 3.016 -0.000) 3.016 12.216 ( 0.000 7.061 0.000) 7.061 12.343 ( -0.000 6.437 0.000) 6.437 12.580 ( 0.000 -4.018 0.000) 4.018 12.753 ( -0.000 -9.642 -0.000) 9.642 13.874 ( 0.000 0.464 -0.000) 0.464 13.920 ( 0.000 1.064 0.000) 1.064 14.010 ( 0.000 -2.818 0.000) 2.818 14.138 ( 0.000 -1.876 0.000) 1.876 14.170 ( 0.000 3.307 0.000) 3.307 14.172 ( 0.000 2.561 0.000) 2.561 14.291 ( -0.000 -0.525 -0.000) 0.525 14.295 ( 0.000 -1.144 0.000) 1.144 14.391 ( 0.000 -0.733 0.000) 0.733 14.448 ( -0.000 0.211 -0.000) 0.211 14.634 ( 0.000 2.466 0.000) 2.466 14.731 ( 0.000 3.934 -0.000) 3.934 14.763 ( -0.000 2.552 0.000) 2.552 14.767 ( 0.000 0.808 -0.000) 0.808 15.028 ( 0.000 5.288 0.000) 5.288 15.096 ( -0.000 1.561 -0.000) 1.561 17.314 ( 0.000 -15.634 -0.000) 15.634 17.609 ( -0.000 -24.426 0.000) 24.426 18.280 ( -0.000 0.349 0.000) 0.349 18.310 ( 0.000 2.604 0.000) 2.604 18.333 ( 0.000 1.141 -0.000) 1.141 18.417 ( -0.000 -3.635 0.000) 3.635 18.686 ( 0.000 1.073 0.000) 1.073 18.715 ( -0.000 1.283 -0.000) 1.283 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.000 5.665 0.000) 5.665 1.752 ( 0.000 -2.422 0.000) 2.422 1.871 ( 0.000 12.528 0.000) 12.528 2.004 ( 0.000 -5.839 0.000) 5.839 2.096 ( 0.000 -9.698 0.000) 9.698 2.156 ( 0.000 -9.143 0.000) 9.143 2.344 ( 0.000 4.015 0.000) 4.015 2.369 ( 0.000 7.701 0.000) 7.701 2.512 ( 0.000 -3.546 0.000) 3.546 2.545 ( 0.000 0.976 0.000) 0.976 2.654 ( 0.000 6.313 0.000) 6.313 2.732 ( 0.000 -1.766 0.000) 1.766 2.838 ( 0.000 2.415 0.000) 2.415 2.845 ( 0.000 2.924 0.000) 2.924 3.017 ( 0.000 9.327 0.000) 9.327 3.168 ( 0.000 6.461 0.000) 6.461 3.216 ( 0.000 -1.285 0.000) 1.285 3.247 ( 0.000 -7.938 0.000) 7.938 3.328 ( 0.000 3.641 0.000) 3.641 3.386 ( 0.000 7.329 0.000) 7.329 3.389 ( 0.000 4.034 0.000) 4.034 3.413 ( 0.000 1.875 0.000) 1.875 3.452 ( 0.000 -1.223 0.000) 1.223 3.600 ( 0.000 -3.915 0.000) 3.915 3.797 ( 0.000 -1.811 0.000) 1.811 3.833 ( 0.000 0.775 0.000) 0.775 3.936 ( 0.000 11.529 0.000) 11.529 3.953 ( 0.000 -3.209 0.000) 3.209 3.985 ( 0.000 7.287 0.000) 7.287 4.034 ( 0.000 -5.942 0.000) 5.942 4.095 ( 0.000 -2.187 0.000) 2.187 4.193 ( 0.000 -10.307 0.000) 10.307 4.380 ( 0.000 3.026 0.000) 3.026 4.400 ( 0.000 0.052 0.000) 0.052 4.565 ( 0.000 3.369 0.000) 3.369 4.607 ( 0.000 -2.246 0.000) 2.246 4.637 ( 0.000 3.179 0.000) 3.179 4.677 ( 0.000 0.083 0.000) 0.083 4.705 ( 0.000 3.699 0.000) 3.699 4.820 ( 0.000 -7.002 0.000) 7.002 4.834 ( 0.000 0.723 0.000) 0.723 4.889 ( 0.000 -4.770 0.000) 4.770 4.991 ( 0.000 5.325 0.000) 5.325 5.060 ( 0.000 1.366 0.000) 1.366 5.202 ( 0.000 -0.016 0.000) 0.016 5.218 ( 0.000 2.537 0.000) 2.537 5.307 ( 0.000 7.204 0.000) 7.204 5.338 ( 0.000 8.642 0.000) 8.642 5.525 ( 0.000 -13.017 0.000) 13.017 5.533 ( 0.000 -9.725 0.000) 9.725 5.597 ( 0.000 6.131 0.000) 6.131 5.772 ( 0.000 -8.667 0.000) 8.667 5.992 ( 0.000 -1.416 0.000) 1.416 6.025 ( 0.000 -5.638 0.000) 5.638 6.276 ( 0.000 0.788 0.000) 0.788 6.283 ( 0.000 -0.710 0.000) 0.710 6.552 ( 0.000 -0.342 0.000) 0.342 6.559 ( 0.000 -0.362 0.000) 0.362 6.708 ( 0.000 -0.343 0.000) 0.343 6.717 ( 0.000 -1.367 0.000) 1.367 6.812 ( 0.000 0.795 0.000) 0.795 6.823 ( 0.000 -1.131 0.000) 1.131 6.886 ( 0.000 7.144 0.000) 7.144 7.034 ( 0.000 -6.619 0.000) 6.619 7.145 ( 0.000 2.774 0.000) 2.774 7.245 ( 0.000 -7.196 0.000) 7.196 7.507 ( 0.000 3.262 0.000) 3.262 7.551 ( 0.000 -0.664 0.000) 0.664 7.859 ( 0.000 4.496 0.000) 4.496 7.868 ( 0.000 3.652 0.000) 3.652 7.953 ( 0.000 2.747 0.000) 2.747 8.009 ( 0.000 -2.601 0.000) 2.601 8.031 ( 0.000 1.230 0.000) 1.230 8.067 ( 0.000 -2.069 0.000) 2.069 8.255 ( 0.000 4.208 0.000) 4.208 8.315 ( 0.000 -2.181 0.000) 2.181 8.442 ( 0.000 0.113 0.000) 0.113 8.457 ( 0.000 -1.750 0.000) 1.750 8.630 ( 0.000 3.634 0.000) 3.634 8.690 ( 0.000 -2.465 0.000) 2.465 12.391 ( 0.000 7.901 0.000) 7.901 12.418 ( 0.000 3.798 0.000) 3.798 12.492 ( 0.000 -3.906 0.000) 3.906 12.552 ( 0.000 -8.561 0.000) 8.561 13.929 ( 0.000 0.040 0.000) 0.040 13.934 ( 0.000 -0.611 0.000) 0.611 14.043 ( 0.000 1.361 0.000) 1.361 14.078 ( 0.000 -2.184 0.000) 2.184 14.181 ( 0.000 1.052 0.000) 1.052 14.183 ( 0.000 0.976 0.000) 0.976 14.331 ( 0.000 0.483 0.000) 0.483 14.348 ( 0.000 -1.237 0.000) 1.237 14.458 ( 0.000 0.730 0.000) 0.730 14.465 ( 0.000 -0.001 0.000) 0.001 14.695 ( 0.000 4.744 0.000) 4.744 14.752 ( 0.000 -0.845 0.000) 0.845 14.875 ( 0.000 2.516 0.000) 2.516 14.939 ( 0.000 -3.748 0.000) 3.748 15.004 ( 0.000 3.639 0.000) 3.639 15.038 ( 0.000 0.625 0.000) 0.625 17.692 ( 0.000 -5.503 0.000) 5.503 17.729 ( 0.000 -9.279 0.000) 9.279 18.193 ( 0.000 5.049 0.000) 5.049 18.239 ( 0.000 -1.886 0.000) 1.886 18.290 ( 0.000 -0.933 0.000) 0.933 18.290 ( 0.000 6.205 0.000) 6.205 18.304 ( 0.000 2.247 0.000) 2.247 18.521 ( 0.000 -10.678 0.000) 10.678 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -9.587 -0.333 -7.039) 11.898 1.678 ( -14.257 -12.052 5.512) 19.465 1.984 ( 6.221 12.647 8.006) 16.209 2.043 ( 3.688 0.691 1.715) 4.125 2.145 ( 1.168 0.040 -1.902) 2.232 2.229 ( -4.484 -0.296 -2.740) 5.264 2.252 ( -0.982 -2.300 4.414) 5.074 2.367 ( -2.982 -9.751 3.434) 10.760 2.475 ( -0.030 8.632 -5.660) 10.322 2.499 ( -5.979 4.153 -5.813) 9.316 2.599 ( -7.432 -2.962 -4.740) 9.299 2.616 ( 2.740 0.725 -0.972) 2.997 2.841 ( 1.402 4.348 -1.509) 4.811 2.897 ( 0.602 1.948 7.040) 7.329 2.975 ( -3.206 4.779 -0.665) 5.793 3.070 ( -4.922 1.659 -1.111) 5.312 3.157 ( -2.435 1.443 -1.811) 3.360 3.186 ( -5.288 -3.375 -1.294) 6.406 3.288 ( -3.109 7.514 -3.187) 8.734 3.375 ( -0.173 4.990 2.669) 5.661 3.415 ( 0.940 0.701 1.003) 1.543 3.459 ( -0.900 3.522 4.412) 5.717 3.549 ( 3.950 -5.351 6.504) 9.302 3.608 ( -0.943 -5.431 2.715) 6.145 3.785 ( 3.899 7.576 -2.987) 9.029 3.871 ( 2.965 4.181 -11.108) 12.233 3.900 ( 3.355 4.209 -0.836) 5.448 3.969 ( 5.108 -0.260 -1.237) 5.262 4.090 ( 6.020 2.257 2.852) 7.033 4.120 ( 3.250 -2.003 0.950) 3.934 4.163 ( 6.126 -0.417 -1.403) 6.299 4.241 ( 5.618 -7.006 1.073) 9.044 4.383 ( -0.841 1.978 2.567) 3.348 4.415 ( 1.458 -1.014 2.029) 2.696 4.509 ( -3.260 4.874 -0.349) 5.874 4.605 ( -2.784 -2.865 3.024) 5.010 4.671 ( 1.311 6.167 -0.006) 6.305 4.679 ( 1.001 2.764 1.419) 3.264 4.719 ( 0.612 -1.692 1.022) 2.069 4.771 ( -3.289 -3.168 4.212) 6.213 4.845 ( 2.059 -0.669 -3.182) 3.849 4.902 ( 1.414 -3.210 -1.930) 4.004 4.987 ( 2.827 -0.653 -0.049) 2.902 4.999 ( -2.335 -0.597 -0.612) 2.487 5.180 ( -8.015 7.094 -4.735) 11.704 5.275 ( -0.389 5.853 -3.716) 6.944 5.301 ( -4.670 0.524 -3.825) 6.059 5.388 ( 4.039 -3.942 1.549) 5.853 5.429 ( 0.192 0.401 3.502) 3.530 5.506 ( 0.536 -5.407 -0.844) 5.499 5.632 ( 3.319 -1.799 -0.612) 3.825 5.734 ( -1.624 -8.335 -3.108) 9.043 6.042 ( 4.077 -0.693 1.899) 4.550 6.071 ( 1.930 -3.857 2.660) 5.068 6.199 ( -4.922 -0.227 -1.976) 5.309 6.208 ( -5.336 -1.597 -2.890) 6.275 6.505 ( -3.402 -0.209 -1.065) 3.571 6.516 ( -2.548 -1.624 -1.915) 3.577 6.754 ( -1.131 3.724 3.401) 5.169 6.793 ( 0.257 0.875 0.472) 1.027 6.829 ( -0.930 0.292 3.330) 3.470 6.851 ( 5.856 -0.703 2.990) 6.613 6.929 ( 2.947 0.040 5.829) 6.532 6.994 ( -4.794 -4.313 1.301) 6.579 7.124 ( 2.667 2.853 -4.401) 5.884 7.248 ( 0.914 -8.422 -2.497) 8.832 7.548 ( 1.035 4.170 4.329) 6.099 7.601 ( 2.517 -0.578 3.193) 4.106 7.792 ( -3.581 5.558 -3.125) 7.313 7.845 ( -0.196 1.292 -3.855) 4.071 7.976 ( -0.592 0.645 2.695) 2.834 8.000 ( -2.558 -1.090 0.424) 2.813 8.019 ( -0.234 0.100 -0.784) 0.824 8.029 ( -1.363 -1.341 -2.251) 2.953 8.255 ( 0.601 3.188 -0.742) 3.328 8.290 ( -0.717 -0.565 -2.071) 2.263 8.459 ( 1.497 0.352 1.057) 1.866 8.475 ( 1.515 -1.179 0.770) 2.068 8.670 ( 2.623 2.780 0.796) 3.904 8.710 ( 2.017 -1.346 -0.201) 2.434 12.387 ( -0.297 8.007 -0.275) 8.017 12.423 ( 0.210 4.075 0.733) 4.145 12.497 ( 0.273 -3.853 0.331) 3.877 12.557 ( 0.390 -9.002 -0.104) 9.011 13.922 ( -0.474 0.583 -0.769) 1.075 13.937 ( 0.419 -0.897 -0.293) 1.032 14.040 ( -0.941 0.848 1.260) 1.787 14.066 ( -1.007 -1.763 0.461) 2.082 14.194 ( 0.895 1.891 0.881) 2.270 14.214 ( 1.568 0.063 0.839) 1.779 14.334 ( 0.144 0.107 -0.325) 0.371 14.342 ( 0.008 -0.773 -1.440) 1.635 14.505 ( 3.441 1.262 3.873) 5.332 14.516 ( 2.158 0.392 4.106) 4.656 14.631 ( -4.821 3.762 -5.781) 8.415 14.682 ( -5.713 -0.466 -2.494) 6.251 14.811 ( -3.727 1.575 -0.574) 4.087 14.854 ( -5.371 -3.141 -2.052) 6.552 15.030 ( 1.470 4.367 2.267) 5.135 15.070 ( 2.754 0.469 0.242) 2.804 17.544 ( -9.916 -5.044 -8.040) 13.727 17.596 ( -9.305 -10.393 -6.716) 15.483 18.261 ( 1.946 0.589 4.219) 4.683 18.268 ( 1.269 0.605 1.898) 2.362 18.302 ( 1.482 2.582 0.166) 2.982 18.338 ( 2.072 -2.655 1.137) 3.555 18.377 ( 7.545 8.181 3.466) 11.657 18.575 ( 4.548 -9.352 2.455) 10.685 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -5.125 -5.128 -8.349) 11.058 1.437 ( -16.729 -15.780 7.181) 24.092 1.893 ( -14.043 3.725 -11.568) 18.572 1.966 ( -9.563 -0.376 -5.497) 11.037 2.097 ( -2.407 -2.227 -4.161) 5.298 2.118 ( -8.037 -2.200 -0.845) 8.375 2.234 ( 2.341 10.140 4.320) 11.268 2.320 ( -0.585 1.782 -1.670) 2.511 2.373 ( -0.309 -2.193 -0.767) 2.343 2.480 ( -0.105 -7.857 9.258) 12.143 2.631 ( 3.733 6.088 -3.770) 8.075 2.721 ( 8.976 -1.334 2.432) 9.395 2.845 ( -0.226 9.473 -3.244) 10.016 2.918 ( -2.717 7.171 4.023) 8.660 2.984 ( -0.429 3.612 1.293) 3.860 3.007 ( 1.655 -5.505 -2.814) 6.400 3.104 ( -3.531 -1.563 1.886) 4.298 3.116 ( -1.922 -1.354 0.637) 2.436 3.261 ( 2.866 8.381 1.595) 9.000 3.385 ( 0.397 -3.257 -0.636) 3.342 3.422 ( -1.383 5.522 7.231) 9.203 3.515 ( 1.774 8.696 3.969) 9.723 3.564 ( -4.274 -3.688 4.950) 7.508 3.678 ( 1.946 -3.455 -1.062) 4.105 3.806 ( 2.256 3.166 -4.990) 6.326 3.821 ( 1.710 5.168 -5.166) 7.505 3.939 ( 2.359 4.834 -2.346) 5.868 4.040 ( 0.839 -4.194 -5.728) 7.149 4.181 ( 3.002 5.057 3.211) 6.701 4.254 ( 7.289 0.250 6.000) 9.444 4.280 ( 6.702 0.172 4.675) 8.173 4.322 ( 2.522 -3.439 -4.247) 6.019 4.424 ( 4.394 6.449 0.108) 7.805 4.498 ( 1.956 2.869 1.274) 3.698 4.529 ( 4.683 -0.870 3.696) 6.029 4.618 ( -0.615 -0.600 7.954) 8.001 4.642 ( 0.926 3.004 -3.823) 4.949 4.656 ( -2.493 -0.459 -0.863) 2.678 4.775 ( 0.938 1.438 2.452) 2.994 4.807 ( 1.673 0.336 0.302) 1.733 4.810 ( -2.784 -1.469 -4.451) 5.451 4.870 ( -5.414 -3.637 0.589) 6.548 4.980 ( -3.714 0.022 -1.360) 3.955 5.028 ( -4.536 -2.238 -2.445) 5.618 5.052 ( -1.561 -1.617 0.559) 2.317 5.103 ( 5.071 -3.050 1.316) 6.062 5.200 ( -3.197 5.723 -6.246) 9.054 5.323 ( -3.219 -5.347 -5.220) 8.137 5.445 ( -2.513 4.229 -0.516) 4.946 5.592 ( -4.458 -9.830 -2.400) 11.058 5.675 ( 7.598 3.272 -0.511) 8.289 5.733 ( 3.349 -2.203 -0.701) 4.070 6.049 ( -4.062 0.547 -1.117) 4.248 6.096 ( -2.859 -4.832 -1.182) 5.737 6.151 ( 3.949 0.042 0.856) 4.041 6.178 ( 2.606 -2.586 3.697) 5.210 6.443 ( -2.257 -1.292 -0.273) 2.615 6.462 ( -2.067 -3.061 -0.731) 3.765 6.709 ( -5.133 3.836 2.979) 7.067 6.740 ( -5.314 0.548 0.001) 5.342 6.864 ( -0.540 2.598 7.491) 7.947 6.909 ( -1.630 -0.954 0.019) 1.889 6.975 ( 3.999 0.955 -0.055) 4.111 7.043 ( 2.312 -5.705 -2.455) 6.627 7.166 ( 3.179 0.928 -0.644) 3.374 7.249 ( 2.330 -6.521 -0.440) 6.938 7.575 ( -1.293 5.844 0.817) 6.041 7.665 ( 0.327 -3.190 2.339) 3.969 7.728 ( -0.965 5.410 1.116) 5.607 7.800 ( -0.862 -0.891 -2.432) 2.730 7.938 ( -3.035 -1.114 0.495) 3.270 7.944 ( -2.505 -0.596 -0.912) 2.731 8.016 ( 0.877 0.566 -0.981) 1.432 8.020 ( 0.334 0.121 -0.546) 0.651 8.256 ( 0.463 2.526 -0.816) 2.695 8.292 ( 2.066 -0.992 -0.484) 2.342 8.500 ( 1.544 1.393 1.009) 2.311 8.520 ( 1.888 -0.699 1.040) 2.266 8.708 ( 1.181 3.197 -0.377) 3.428 8.744 ( 1.485 -0.418 -0.114) 1.547 12.376 ( -0.482 8.413 -0.327) 8.433 12.437 ( 0.354 4.282 0.751) 4.362 12.505 ( 0.238 -3.733 0.280) 3.751 12.560 ( 0.132 -9.591 -0.240) 9.595 13.903 ( -0.616 1.278 -0.824) 1.640 13.930 ( -0.550 -1.370 -0.763) 1.662 14.033 ( -1.000 1.296 0.309) 1.666 14.068 ( 0.188 -2.022 1.935) 2.805 14.213 ( 0.533 2.151 0.206) 2.225 14.236 ( 0.139 0.188 0.196) 0.305 14.304 ( -2.052 0.456 -2.988) 3.653 14.318 ( -1.757 -1.023 -1.286) 2.406 14.428 ( -4.196 4.242 -2.656) 6.531 14.510 ( -6.586 -3.512 -3.221) 8.130 14.639 ( 4.485 2.057 2.608) 5.581 14.669 ( 5.124 -0.745 2.886) 5.928 14.783 ( 0.557 1.584 1.809) 2.468 14.793 ( -1.636 0.013 2.493) 2.982 15.081 ( 0.569 3.906 3.551) 5.309 15.115 ( 1.691 0.515 -0.359) 1.803 17.260 ( -9.807 -4.213 -8.698) 13.769 17.343 ( -8.739 -12.697 -6.995) 16.927 18.288 ( 0.670 1.107 -0.018) 1.294 18.313 ( -0.029 -0.924 2.281) 2.461 18.331 ( 1.751 1.659 -0.209) 2.421 18.367 ( 0.073 -2.232 0.744) 2.354 18.586 ( 7.937 5.722 5.648) 11.297 18.695 ( 4.117 -4.927 2.429) 6.865 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 -11.134 -0.000) 11.134 1.284 ( 0.000 -13.997 0.000) 13.997 1.665 ( -0.000 5.715 -0.000) 5.715 1.798 ( 0.000 -6.471 0.000) 6.471 2.036 ( -0.000 -0.481 0.000) 0.481 2.045 ( 0.000 -0.698 -0.000) 0.698 2.294 ( 0.001 1.503 0.002) 1.503 2.296 ( -0.001 1.159 -0.001) 1.159 2.402 ( 0.000 2.853 0.000) 2.853 2.516 ( -0.000 -5.656 0.000) 5.656 2.652 ( 0.000 7.806 -0.000) 7.806 2.805 ( -0.000 1.534 0.000) 1.534 2.845 ( -0.000 4.224 -0.000) 4.224 2.877 ( 0.000 5.382 -0.000) 5.382 2.987 ( 0.000 4.773 0.000) 4.773 3.022 ( -0.000 -1.874 0.000) 1.874 3.082 ( -0.000 -2.183 0.000) 2.183 3.083 ( 0.000 -1.196 -0.000) 1.196 3.346 ( 0.000 6.774 -0.000) 6.774 3.394 ( 0.000 1.304 0.000) 1.304 3.490 ( -0.000 2.920 0.000) 2.920 3.541 ( 0.000 -2.698 0.000) 2.698 3.595 ( -0.000 4.374 -0.000) 4.374 3.605 ( 0.000 6.548 0.000) 6.548 3.805 ( -0.000 2.938 -0.000) 2.938 3.827 ( 0.000 -3.340 -0.000) 3.340 3.954 ( -0.000 3.143 -0.000) 3.143 3.976 ( 0.000 -0.809 0.000) 0.809 4.240 ( 0.000 5.266 0.000) 5.266 4.293 ( 0.000 1.634 0.000) 1.634 4.380 ( -0.000 0.797 0.000) 0.797 4.423 ( -0.000 -2.440 -0.000) 2.440 4.481 ( 0.000 3.022 0.000) 3.022 4.552 ( -0.000 2.453 -0.000) 2.453 4.566 ( 0.000 10.655 -0.000) 10.655 4.622 ( 0.000 3.969 -0.000) 3.969 4.624 ( -0.000 -8.031 0.000) 8.031 4.669 ( 0.000 4.612 0.000) 4.612 4.762 ( 0.000 -3.256 0.000) 3.256 4.785 ( 0.000 1.215 -0.000) 1.215 4.825 ( 0.000 -6.862 0.000) 6.862 4.843 ( -0.000 0.563 -0.000) 0.563 4.872 ( -0.000 -5.564 0.000) 5.564 4.899 ( -0.000 -4.980 0.000) 4.980 5.121 ( -0.000 -0.287 -0.000) 0.287 5.124 ( 0.000 1.482 0.000) 1.482 5.208 ( -0.000 5.975 0.000) 5.975 5.322 ( 0.000 -4.553 0.000) 4.553 5.342 ( -0.000 1.854 -0.000) 1.854 5.478 ( 0.000 -10.019 0.000) 10.019 5.751 ( -0.000 1.988 0.000) 1.988 5.767 ( 0.000 1.119 -0.000) 1.119 6.008 ( 0.000 0.615 0.000) 0.615 6.062 ( -0.000 -5.446 0.000) 5.446 6.197 ( 0.000 0.545 -0.000) 0.545 6.245 ( -0.000 -3.786 -0.000) 3.786 6.420 ( -0.000 -1.776 -0.000) 1.776 6.431 ( 0.000 -3.626 0.000) 3.626 6.665 ( -0.000 3.951 -0.000) 3.951 6.679 ( 0.000 1.702 0.000) 1.702 6.891 ( 0.000 1.130 -0.000) 1.130 6.952 ( 0.000 3.606 -0.000) 3.606 6.972 ( 0.000 -4.395 0.000) 4.395 7.029 ( -0.000 -5.411 0.000) 5.411 7.196 ( 0.000 1.990 0.000) 1.990 7.283 ( 0.000 -5.943 -0.000) 5.943 7.556 ( 0.000 6.306 0.000) 6.306 7.670 ( 0.000 -5.197 -0.000) 5.197 7.743 ( -0.000 4.325 0.000) 4.325 7.779 ( 0.000 1.277 0.000) 1.277 7.904 ( 0.000 -0.347 -0.000) 0.347 7.922 ( -0.000 -2.428 0.000) 2.428 8.010 ( -0.000 1.289 0.000) 1.289 8.029 ( 0.000 -0.408 -0.000) 0.408 8.258 ( 0.000 3.179 0.000) 3.179 8.316 ( 0.000 -2.500 -0.000) 2.500 8.521 ( 0.000 2.112 0.000) 2.112 8.546 ( 0.000 -0.594 0.000) 0.594 8.715 ( -0.000 3.907 0.000) 3.907 8.757 ( 0.000 -0.344 -0.000) 0.344 12.369 ( 0.000 8.691 0.000) 8.691 12.445 ( -0.000 4.248 0.000) 4.248 12.509 ( 0.000 -3.659 0.000) 3.659 12.559 ( -0.000 -9.753 -0.000) 9.753 13.892 ( 0.000 1.204 -0.000) 1.204 13.918 ( 0.000 -1.359 0.000) 1.359 14.018 ( 0.000 3.176 -0.000) 3.176 14.088 ( 0.000 -3.361 0.000) 3.361 14.219 ( -0.000 1.948 0.000) 1.948 14.223 ( 0.000 1.669 -0.000) 1.669 14.272 ( -0.000 -0.860 -0.000) 0.860 14.274 ( 0.000 -1.033 0.000) 1.033 14.397 ( 0.000 1.325 0.000) 1.325 14.431 ( -0.000 -1.679 -0.000) 1.679 14.683 ( 0.000 2.435 0.000) 2.435 14.724 ( 0.000 -1.734 -0.000) 1.734 14.815 ( -0.000 2.273 0.000) 2.273 14.825 ( 0.000 1.767 -0.000) 1.767 15.107 ( 0.000 2.587 0.000) 2.587 15.123 ( -0.000 0.756 -0.000) 0.756 17.111 ( 0.000 -3.514 -0.000) 3.514 17.217 ( -0.000 -14.190 0.000) 14.190 18.293 ( -0.000 1.220 0.000) 1.220 18.323 ( 0.000 -1.190 -0.000) 1.190 18.352 ( 0.000 0.636 -0.000) 0.636 18.365 ( -0.000 -1.252 0.000) 1.252 18.713 ( 0.000 1.407 0.000) 1.407 18.729 ( -0.000 -0.033 -0.000) 0.033 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 9.160 0.000 29.949) 31.319 0.681 ( -13.616 0.000 36.213) 38.688 0.834 ( 1.591 0.000 42.948) 42.978 1.577 ( -5.039 0.000 4.096) 6.493 1.811 ( -7.286 0.000 -2.865) 7.829 1.832 ( -1.766 0.000 9.614) 9.775 2.121 ( -2.912 0.000 4.816) 5.628 2.171 ( 1.061 0.000 0.294) 1.100 2.199 ( 3.989 0.000 -4.044) 5.680 2.267 ( 5.850 0.000 -7.225) 9.296 2.396 ( -7.619 0.000 -7.617) 10.774 2.430 ( 1.654 0.000 -11.456) 11.575 2.552 ( 1.438 0.000 1.946) 2.419 2.658 ( 3.436 0.000 3.031) 4.582 2.764 ( 0.276 0.000 -9.544) 9.548 2.781 ( 0.181 0.000 -1.627) 1.637 2.806 ( 2.377 0.000 6.077) 6.526 3.074 ( -1.496 0.000 4.099) 4.363 3.131 ( 2.881 0.000 -6.410) 7.028 3.351 ( -2.139 0.000 -0.078) 2.141 3.379 ( 6.468 0.000 -8.910) 11.010 3.415 ( 1.254 0.000 -5.924) 6.055 3.594 ( 4.486 0.000 -6.233) 7.680 3.647 ( -7.133 0.000 -1.777) 7.351 3.648 ( 5.777 0.000 9.155) 10.825 3.807 ( -4.557 0.000 -5.102) 6.841 3.831 ( 1.041 0.000 -4.372) 4.494 4.029 ( 2.779 0.000 3.273) 4.294 4.052 ( 3.401 0.000 0.266) 3.412 4.122 ( -3.338 0.000 0.163) 3.342 4.138 ( 0.006 0.000 5.041) 5.041 4.271 ( 0.346 0.000 -4.471) 4.484 4.309 ( -4.729 0.000 -8.656) 9.864 4.494 ( -2.258 0.000 3.966) 4.564 4.523 ( -6.600 0.000 -4.199) 7.823 4.608 ( 1.429 0.000 -5.098) 5.295 4.651 ( 5.491 0.000 -2.629) 6.088 4.667 ( -13.446 0.000 -2.296) 13.640 4.744 ( -2.858 0.000 -0.403) 2.886 4.871 ( -2.811 0.000 3.096) 4.182 4.883 ( 3.812 0.000 0.031) 3.812 5.064 ( 8.525 0.000 9.581) 12.825 5.073 ( 8.391 0.000 -2.515) 8.760 5.119 ( -4.208 0.000 -9.481) 10.373 5.222 ( 7.356 0.000 6.518) 9.828 5.298 ( -9.018 0.000 4.630) 10.137 5.339 ( -2.775 0.000 5.072) 5.782 5.446 ( -3.455 0.000 0.043) 3.455 5.482 ( -1.505 0.000 4.963) 5.186 5.554 ( 12.653 0.000 7.235) 14.576 5.895 ( -3.277 0.000 0.627) 3.337 6.000 ( 0.480 0.000 2.496) 2.542 6.006 ( -0.493 0.000 1.310) 1.399 6.209 ( -2.500 0.000 0.982) 2.686 6.513 ( 5.118 0.000 -5.610) 7.594 6.549 ( 12.314 0.000 1.462) 12.401 6.776 ( 5.649 0.000 1.045) 5.745 6.780 ( -2.956 0.000 -0.474) 2.993 6.842 ( -5.718 0.000 -2.611) 6.286 6.910 ( 0.547 0.000 3.603) 3.644 6.930 ( 0.809 0.000 4.645) 4.715 7.010 ( -1.986 0.000 -3.957) 4.428 7.055 ( 4.894 0.000 -2.044) 5.304 7.105 ( 2.025 0.000 -3.066) 3.674 7.213 ( -5.518 0.000 0.561) 5.546 7.253 ( -2.220 0.000 3.963) 4.543 7.395 ( 4.392 0.000 -4.427) 6.236 7.521 ( 2.183 0.000 -7.537) 7.846 7.656 ( -3.913 0.000 3.083) 4.982 7.741 ( -2.186 0.000 -2.385) 3.235 7.786 ( 1.530 0.000 -2.004) 2.521 7.834 ( 1.847 0.000 -0.947) 2.076 7.882 ( -2.837 0.000 6.542) 7.131 8.081 ( -2.981 0.000 0.021) 2.981 8.195 ( 1.432 0.000 0.888) 1.685 8.246 ( 0.506 0.000 3.303) 3.341 8.303 ( 2.101 0.000 -0.960) 2.310 8.515 ( -2.427 0.000 -2.062) 3.184 8.642 ( 0.613 0.000 1.118) 1.275 8.770 ( -1.304 0.000 -1.821) 2.240 11.971 ( -0.183 0.000 -0.007) 0.183 11.975 ( 0.150 0.000 -0.087) 0.173 12.801 ( -1.682 0.000 0.855) 1.887 12.887 ( 4.064 0.000 -1.244) 4.250 13.904 ( 0.839 0.000 1.358) 1.596 13.960 ( 0.538 0.000 -0.585) 0.795 14.103 ( 2.050 0.000 0.433) 2.095 14.134 ( 0.663 0.000 -1.467) 1.610 14.187 ( 1.213 0.000 0.132) 1.221 14.236 ( -13.569 0.000 -2.004) 13.716 14.243 ( 0.451 0.000 2.117) 2.164 14.261 ( 0.436 0.000 1.341) 1.410 14.351 ( -1.513 0.000 1.930) 2.453 14.403 ( -4.697 0.000 -2.059) 5.129 14.471 ( 2.152 0.000 0.244) 2.166 14.472 ( -5.476 0.000 -1.268) 5.621 14.593 ( 0.251 0.000 -0.152) 0.294 14.673 ( 6.415 0.000 6.931) 9.444 14.684 ( 1.109 0.000 -1.945) 2.239 15.157 ( -6.254 0.000 -5.947) 8.630 17.409 ( 5.100 0.000 12.567) 13.562 18.254 ( 2.132 0.000 -7.402) 7.703 18.275 ( 2.502 0.000 1.381) 2.858 18.479 ( -6.879 0.000 -1.688) 7.083 18.592 ( -0.138 0.000 -2.765) 2.769 18.743 ( 3.582 0.000 -4.265) 5.570 18.900 ( 4.345 0.000 3.677) 5.691 18.981 ( 0.428 0.000 0.644) 0.773 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -2.474 0.000 30.276) 30.377 0.917 ( 2.262 0.000 31.898) 31.978 1.455 ( 14.630 0.000 22.057) 26.468 1.518 ( -2.660 0.000 -3.068) 4.061 1.647 ( -4.527 0.000 -7.911) 9.115 1.883 ( -13.537 0.000 -9.019) 16.267 2.000 ( 6.899 0.000 17.431) 18.747 2.184 ( 2.639 0.000 -3.319) 4.240 2.227 ( -6.303 0.000 1.596) 6.502 2.305 ( 6.806 0.000 -7.116) 9.847 2.391 ( 11.191 0.000 4.653) 12.119 2.397 ( 6.288 0.000 -10.631) 12.351 2.552 ( -0.957 0.000 0.190) 0.976 2.645 ( -4.051 0.000 -4.073) 5.745 2.724 ( 3.177 0.000 -6.883) 7.581 2.847 ( 3.595 0.000 6.154) 7.127 2.893 ( 1.335 0.000 0.074) 1.337 3.138 ( 7.839 0.000 -12.169) 14.475 3.139 ( 2.955 0.000 7.433) 7.999 3.255 ( -4.226 0.000 -3.457) 5.460 3.293 ( -9.528 0.000 -9.174) 13.227 3.458 ( 5.544 0.000 3.216) 6.409 3.530 ( 1.048 0.000 -7.554) 7.626 3.563 ( -0.910 0.000 -3.088) 3.219 3.683 ( -1.152 0.000 -8.647) 8.724 3.826 ( -0.218 0.000 7.747) 7.750 3.856 ( 4.444 0.000 2.419) 5.059 3.876 ( -9.427 0.000 -5.347) 10.838 4.037 ( -4.162 0.000 -4.279) 5.969 4.058 ( -3.869 0.000 0.908) 3.974 4.212 ( 4.165 0.000 0.958) 4.273 4.255 ( 0.243 0.000 0.714) 0.755 4.321 ( 3.740 0.000 6.409) 7.421 4.383 ( -9.368 0.000 -3.477) 9.993 4.413 ( -3.178 0.000 1.197) 3.396 4.517 ( -2.486 0.000 -0.291) 2.503 4.600 ( 1.695 0.000 0.830) 1.888 4.652 ( -5.819 0.000 -0.608) 5.850 4.766 ( -3.909 0.000 0.704) 3.972 4.791 ( -6.225 0.000 -10.288) 12.025 4.859 ( 10.128 0.000 1.689) 10.268 4.977 ( -4.799 0.000 1.753) 5.109 5.120 ( -7.313 0.000 6.710) 9.924 5.224 ( -3.376 0.000 -6.128) 6.997 5.273 ( -5.703 0.000 3.223) 6.551 5.290 ( 6.461 0.000 1.879) 6.729 5.368 ( -1.155 0.000 4.008) 4.171 5.444 ( 5.000 0.000 0.870) 5.075 5.541 ( 4.294 0.000 4.524) 6.237 5.790 ( 8.840 0.000 -0.656) 8.864 5.863 ( 1.082 0.000 1.851) 2.143 5.978 ( -6.726 0.000 5.237) 8.525 6.074 ( -0.050 0.000 7.560) 7.561 6.191 ( 0.579 0.000 -1.740) 1.834 6.335 ( -19.089 0.000 4.789) 19.681 6.512 ( 3.419 0.000 -11.333) 11.837 6.721 ( -3.849 0.000 -0.401) 3.870 6.744 ( -2.869 0.000 4.443) 5.289 6.845 ( -4.313 0.000 -8.605) 9.626 6.898 ( 4.700 0.000 1.533) 4.944 7.002 ( 4.154 0.000 -5.845) 7.171 7.008 ( 3.063 0.000 6.570) 7.248 7.112 ( 3.014 0.000 -2.817) 4.126 7.133 ( -1.163 0.000 0.475) 1.256 7.237 ( -2.580 0.000 3.808) 4.600 7.260 ( 7.448 0.000 0.426) 7.460 7.489 ( 7.868 0.000 -2.044) 8.129 7.560 ( 5.962 0.000 -2.470) 6.454 7.659 ( 1.311 0.000 -2.272) 2.623 7.683 ( -0.898 0.000 -2.292) 2.461 7.784 ( 1.903 0.000 -1.189) 2.244 7.830 ( -0.753 0.000 0.666) 1.005 7.899 ( -2.126 0.000 7.282) 7.586 8.035 ( -3.104 0.000 2.735) 4.137 8.157 ( -6.374 0.000 -2.902) 7.003 8.228 ( 0.680 0.000 1.492) 1.640 8.392 ( -6.978 0.000 -4.521) 8.315 8.406 ( 3.086 0.000 5.043) 5.912 8.628 ( -2.594 0.000 4.125) 4.873 8.691 ( -4.141 0.000 -3.473) 5.404 11.971 ( 0.139 0.000 -0.039) 0.145 11.982 ( 0.594 0.000 -0.007) 0.594 12.783 ( -0.867 0.000 0.659) 1.089 12.971 ( 5.075 0.000 -4.701) 6.917 13.949 ( 2.127 0.000 2.123) 3.005 13.959 ( 0.105 0.000 -1.267) 1.271 14.102 ( 0.385 0.000 -2.816) 2.842 14.122 ( -0.181 0.000 -0.603) 0.630 14.135 ( 0.449 0.000 -1.858) 1.911 14.223 ( 0.919 0.000 0.940) 1.315 14.267 ( -0.202 0.000 2.022) 2.032 14.325 ( -0.591 0.000 0.341) 0.683 14.329 ( 1.735 0.000 1.877) 2.556 14.373 ( 0.382 0.000 2.965) 2.989 14.512 ( 5.716 0.000 -3.459) 6.681 14.548 ( 6.502 0.000 1.638) 6.705 14.603 ( 1.100 0.000 0.533) 1.222 14.684 ( 0.519 0.000 -1.482) 1.571 14.892 ( 7.286 0.000 9.574) 12.031 14.896 ( -11.209 0.000 -9.620) 14.772 17.663 ( 7.485 0.000 14.390) 16.220 18.188 ( -1.003 0.000 -15.988) 16.019 18.282 ( -5.471 0.000 -2.163) 5.883 18.345 ( 1.373 0.000 4.981) 5.167 18.579 ( -1.272 0.000 0.286) 1.304 18.676 ( -4.152 0.000 -2.687) 4.946 18.890 ( -5.824 0.000 1.624) 6.046 18.920 ( -6.586 0.000 0.405) 6.598 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -3.146 0.000 20.285) 20.528 1.229 ( -2.609 0.000 27.964) 28.086 1.354 ( 1.203 0.000 -13.999) 14.051 1.568 ( -0.335 0.000 2.023) 2.050 1.637 ( -5.191 0.000 10.735) 11.924 1.714 ( -3.259 0.000 4.108) 5.243 2.124 ( 2.522 0.000 -4.975) 5.578 2.130 ( -6.861 0.000 4.146) 8.016 2.314 ( 7.579 0.000 -8.204) 11.169 2.416 ( 7.185 0.000 -6.508) 9.695 2.426 ( -7.119 0.000 -3.183) 7.799 2.478 ( 7.764 0.000 0.199) 7.767 2.567 ( 0.375 0.000 5.231) 5.244 2.721 ( 2.729 0.000 -2.927) 4.001 2.747 ( 11.681 0.000 7.983) 14.148 2.886 ( 1.489 0.000 -2.788) 3.161 2.940 ( 0.346 0.000 -0.341) 0.486 3.029 ( -4.083 0.000 -7.479) 8.521 3.160 ( 4.538 0.000 -10.783) 11.699 3.197 ( 1.329 0.000 -0.519) 1.427 3.298 ( 7.913 0.000 4.406) 9.057 3.359 ( -2.615 0.000 -10.830) 11.141 3.559 ( -0.898 0.000 -4.501) 4.589 3.642 ( 7.351 0.000 -2.850) 7.884 3.645 ( 2.098 0.000 9.309) 9.542 3.779 ( -4.195 0.000 0.902) 4.291 3.781 ( -3.102 0.000 1.944) 3.661 3.870 ( -8.817 0.000 -7.165) 11.361 3.978 ( 2.792 0.000 -5.550) 6.213 3.994 ( -1.265 0.000 8.104) 8.202 4.178 ( -7.182 0.000 -0.970) 7.247 4.207 ( -9.309 0.000 -2.330) 9.596 4.328 ( 4.302 0.000 2.459) 4.955 4.389 ( -2.912 0.000 3.916) 4.880 4.407 ( 1.024 0.000 -4.869) 4.975 4.467 ( 0.306 0.000 8.990) 8.995 4.522 ( -4.187 0.000 1.030) 4.312 4.661 ( 0.382 0.000 2.695) 2.722 4.688 ( 0.078 0.000 1.453) 1.455 4.806 ( 6.365 0.000 1.378) 6.512 4.914 ( -4.172 0.000 3.241) 5.283 5.032 ( -4.507 0.000 0.200) 4.511 5.043 ( 5.662 0.000 1.308) 5.812 5.064 ( -5.663 0.000 -5.358) 7.796 5.194 ( -6.249 0.000 3.754) 7.289 5.225 ( -4.419 0.000 -5.289) 6.892 5.431 ( 1.407 0.000 -1.335) 1.939 5.499 ( -1.750 0.000 1.201) 2.122 5.627 ( 2.443 0.000 -1.141) 2.696 5.825 ( 0.249 0.000 -8.083) 8.087 5.871 ( -9.646 0.000 5.966) 11.342 5.961 ( 3.603 0.000 -5.572) 6.635 6.085 ( -2.905 0.000 11.850) 12.200 6.199 ( 3.028 0.000 -2.810) 4.131 6.206 ( 0.303 0.000 4.916) 4.925 6.502 ( 5.687 0.000 -6.275) 8.468 6.649 ( -3.099 0.000 0.403) 3.126 6.721 ( -3.667 0.000 -0.585) 3.713 6.765 ( -2.650 0.000 7.104) 7.582 6.972 ( 2.659 0.000 -0.565) 2.719 7.005 ( 2.212 0.000 -7.117) 7.453 7.061 ( -0.248 0.000 -3.331) 3.340 7.133 ( 0.717 0.000 1.447) 1.615 7.140 ( 4.164 0.000 -2.778) 5.006 7.243 ( -0.074 0.000 -0.122) 0.143 7.406 ( 4.755 0.000 4.259) 6.383 7.542 ( 2.055 0.000 -1.858) 2.771 7.564 ( 0.113 0.000 -5.901) 5.902 7.695 ( 3.088 0.000 -1.996) 3.676 7.727 ( 7.049 0.000 1.907) 7.302 7.827 ( 1.997 0.000 -1.996) 2.824 7.827 ( -2.987 0.000 4.530) 5.427 7.973 ( 4.380 0.000 5.305) 6.879 7.989 ( -5.952 0.000 -2.888) 6.616 8.031 ( -3.335 0.000 4.418) 5.535 8.189 ( -9.511 0.000 -5.220) 10.849 8.245 ( -0.125 0.000 0.860) 0.869 8.478 ( -0.153 0.000 2.027) 2.032 8.586 ( -2.507 0.000 -2.012) 3.215 8.623 ( -2.247 0.000 3.112) 3.839 11.974 ( 0.168 0.000 0.072) 0.183 11.992 ( 0.459 0.000 -0.043) 0.461 12.785 ( -0.183 0.000 1.771) 1.781 13.000 ( 2.693 0.000 -2.542) 3.703 13.949 ( 0.306 0.000 -0.861) 0.914 14.013 ( 2.583 0.000 1.287) 2.886 14.090 ( 0.274 0.000 -2.461) 2.477 14.102 ( -0.598 0.000 -1.328) 1.456 14.132 ( 1.689 0.000 -2.110) 2.703 14.240 ( 0.209 0.000 1.037) 1.058 14.278 ( -0.466 0.000 1.407) 1.482 14.294 ( -0.392 0.000 -1.513) 1.563 14.372 ( -0.100 0.000 0.943) 0.949 14.426 ( 2.157 0.000 3.294) 3.937 14.561 ( -1.737 0.000 -4.788) 5.093 14.590 ( -3.286 0.000 -3.594) 4.869 14.594 ( 0.080 0.000 -0.556) 0.561 14.738 ( 2.649 0.000 -1.612) 3.100 14.750 ( 5.645 0.000 4.223) 7.049 15.061 ( 1.957 0.000 5.209) 5.564 17.922 ( 6.694 0.000 10.610) 12.545 17.988 ( -0.698 0.000 -10.762) 10.784 18.262 ( 2.468 0.000 -1.989) 3.170 18.325 ( -9.825 0.000 2.940) 10.255 18.551 ( -0.990 0.000 -0.969) 1.385 18.645 ( 2.812 0.000 1.981) 3.440 18.762 ( -7.188 0.000 -2.405) 7.580 18.799 ( -6.603 0.000 1.620) 6.799 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -12.667 0.000 15.687) 20.163 1.236 ( -20.307 0.000 18.015) 27.146 1.544 ( 20.295 0.000 9.515) 22.415 1.613 ( 0.883 0.000 5.259) 5.332 1.713 ( -1.243 0.000 17.425) 17.469 1.737 ( -2.328 0.000 7.874) 8.211 2.093 ( -1.746 0.000 5.485) 5.756 2.124 ( 3.503 0.000 -8.413) 9.113 2.280 ( -3.140 0.000 -11.480) 11.902 2.365 ( -4.926 0.000 -9.787) 10.956 2.384 ( 4.480 0.000 3.806) 5.878 2.512 ( 1.800 0.000 -4.526) 4.871 2.545 ( -2.943 0.000 -3.134) 4.299 2.679 ( -9.363 0.000 -9.077) 13.040 2.776 ( 4.398 0.000 -1.216) 4.563 2.860 ( -5.294 0.000 -7.404) 9.102 2.887 ( 2.268 0.000 -2.874) 3.662 3.152 ( 6.986 0.000 0.176) 6.988 3.247 ( 11.726 0.000 9.418) 15.039 3.254 ( 0.177 0.000 2.440) 2.447 3.328 ( 9.485 0.000 -11.431) 14.854 3.442 ( -6.676 0.000 0.869) 6.732 3.546 ( -0.022 0.000 1.392) 1.392 3.558 ( 4.290 0.000 -4.424) 6.163 3.640 ( -4.299 0.000 -6.292) 7.620 3.699 ( -1.245 0.000 -1.991) 2.349 3.744 ( -1.105 0.000 0.438) 1.188 3.852 ( -9.131 0.000 -6.871) 11.427 3.921 ( 6.038 0.000 5.951) 8.478 3.955 ( -0.022 0.000 -4.260) 4.260 4.136 ( 4.259 0.000 1.246) 4.438 4.156 ( 2.752 0.000 1.163) 2.987 4.340 ( -3.856 0.000 4.030) 5.577 4.395 ( -0.285 0.000 6.278) 6.284 4.487 ( -0.993 0.000 5.081) 5.177 4.518 ( 3.391 0.000 4.667) 5.769 4.588 ( 0.164 0.000 7.999) 8.001 4.639 ( -0.935 0.000 0.106) 0.941 4.767 ( 3.527 0.000 8.114) 8.847 4.838 ( -6.152 0.000 -0.761) 6.199 4.923 ( 4.885 0.000 -5.324) 7.225 4.937 ( -0.334 0.000 -4.840) 4.852 4.962 ( -9.815 0.000 -1.267) 9.896 5.093 ( 6.742 0.000 4.960) 8.370 5.156 ( -1.459 0.000 3.958) 4.218 5.200 ( 2.380 0.000 -0.544) 2.441 5.384 ( -1.304 0.000 -7.337) 7.452 5.459 ( -1.219 0.000 0.662) 1.387 5.618 ( -0.884 0.000 -4.427) 4.514 5.713 ( -3.058 0.000 -9.667) 10.139 5.765 ( -4.456 0.000 1.634) 4.746 5.830 ( -2.047 0.000 -13.706) 13.858 6.193 ( -4.381 0.000 7.642) 8.809 6.246 ( 2.962 0.000 0.089) 2.964 6.324 ( 3.265 0.000 10.326) 10.830 6.583 ( 5.942 0.000 0.034) 5.942 6.644 ( 1.991 0.000 0.786) 2.140 6.709 ( 0.512 0.000 5.707) 5.730 6.767 ( -4.269 0.000 6.900) 8.114 6.928 ( -2.100 0.000 -12.032) 12.214 6.959 ( 0.719 0.000 -6.795) 6.833 7.009 ( -1.775 0.000 -1.590) 2.383 7.133 ( -0.240 0.000 -0.932) 0.963 7.211 ( 6.977 0.000 -5.277) 8.747 7.214 ( -1.138 0.000 -1.061) 1.556 7.402 ( -6.281 0.000 1.404) 6.436 7.606 ( 5.987 0.000 -0.348) 5.997 7.635 ( 3.306 0.000 5.025) 6.015 7.711 ( 1.107 0.000 -2.819) 3.029 7.759 ( -2.004 0.000 -4.632) 5.047 7.809 ( -3.120 0.000 4.957) 5.857 7.838 ( -0.059 0.000 -3.128) 3.128 7.938 ( 5.584 0.000 2.422) 6.087 7.940 ( -10.147 0.000 -4.440) 11.076 8.034 ( -3.184 0.000 4.549) 5.553 8.154 ( 6.931 0.000 2.652) 7.421 8.249 ( 0.659 0.000 1.505) 1.643 8.409 ( -3.642 0.000 -4.159) 5.528 8.601 ( -2.533 0.000 1.461) 2.924 8.612 ( 2.908 0.000 2.636) 3.925 11.977 ( 0.036 0.000 0.222) 0.225 11.995 ( -0.055 0.000 -0.197) 0.204 12.806 ( -0.446 0.000 3.182) 3.213 13.031 ( 2.483 0.000 -0.928) 2.650 13.959 ( 0.978 0.000 0.368) 1.045 14.024 ( -2.406 0.000 -0.981) 2.598 14.086 ( 1.923 0.000 -0.923) 2.133 14.088 ( 0.745 0.000 -1.310) 1.507 14.151 ( 2.058 0.000 -1.977) 2.854 14.255 ( 0.053 0.000 1.421) 1.422 14.273 ( -0.866 0.000 0.205) 0.890 14.274 ( 0.387 0.000 -2.943) 2.969 14.365 ( -1.134 0.000 0.186) 1.149 14.396 ( -4.191 0.000 -1.919) 4.610 14.522 ( 4.894 0.000 0.841) 4.966 14.584 ( 0.032 0.000 -1.365) 1.365 14.628 ( 3.711 0.000 -0.709) 3.779 14.740 ( -6.370 0.000 -3.522) 7.279 14.833 ( 5.137 0.000 5.883) 7.810 15.050 ( -5.523 0.000 -0.750) 5.573 17.985 ( -13.684 0.000 2.284) 13.874 18.030 ( 9.605 0.000 0.750) 9.634 18.205 ( 1.685 0.000 2.672) 3.159 18.312 ( 3.886 0.000 0.126) 3.888 18.540 ( 2.101 0.000 -2.543) 3.299 18.610 ( -4.630 0.000 -4.226) 6.269 18.732 ( -2.936 0.000 3.016) 4.209 18.746 ( 3.831 0.000 2.701) 4.687 ======================= Grid point 67 (25/80) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -22.678 0.000 17.613) 28.715 0.967 ( -26.238 0.000 18.200) 31.932 1.565 ( -35.064 0.000 -9.414) 36.306 1.652 ( -4.110 0.000 8.061) 9.048 1.790 ( 0.466 0.000 8.215) 8.229 1.934 ( -6.029 0.000 5.986) 8.496 2.026 ( 8.856 0.000 13.157) 15.860 2.179 ( 5.479 0.000 -9.160) 10.673 2.188 ( 8.246 0.000 5.995) 10.195 2.219 ( -1.280 0.000 -6.854) 6.973 2.416 ( -7.298 0.000 -5.432) 9.097 2.481 ( 1.300 0.000 -5.248) 5.406 2.520 ( 2.004 0.000 -2.675) 3.342 2.617 ( 9.930 0.000 3.828) 10.643 2.730 ( -1.003 0.000 -5.007) 5.106 2.830 ( 1.688 0.000 -2.821) 3.288 2.903 ( 0.636 0.000 -2.877) 2.947 3.222 ( 0.721 0.000 -1.007) 1.239 3.228 ( -7.292 0.000 -1.466) 7.437 3.261 ( -1.456 0.000 4.327) 4.566 3.319 ( 5.919 0.000 -10.771) 12.291 3.531 ( 1.968 0.000 -0.716) 2.094 3.542 ( -2.355 0.000 -8.527) 8.846 3.562 ( -2.393 0.000 2.853) 3.723 3.615 ( 6.066 0.000 3.038) 6.784 3.649 ( 3.451 0.000 -4.560) 5.719 3.778 ( 5.746 0.000 -4.450) 7.268 3.833 ( 11.219 0.000 3.300) 11.694 3.965 ( 2.088 0.000 -0.178) 2.096 4.045 ( 2.545 0.000 3.794) 4.568 4.137 ( -2.808 0.000 -6.255) 6.856 4.227 ( 4.787 0.000 0.393) 4.803 4.389 ( 0.196 0.000 8.700) 8.703 4.463 ( 2.788 0.000 5.661) 6.310 4.540 ( 0.688 0.000 4.417) 4.470 4.555 ( -3.102 0.000 4.742) 5.667 4.657 ( 1.607 0.000 4.567) 4.842 4.701 ( -3.246 0.000 -2.425) 4.052 4.770 ( -5.570 0.000 -1.379) 5.738 4.778 ( 6.714 0.000 10.025) 12.065 4.840 ( 1.859 0.000 -2.009) 2.737 4.909 ( -0.786 0.000 -5.440) 5.496 5.028 ( 6.688 0.000 7.017) 9.693 5.147 ( -4.969 0.000 -1.187) 5.109 5.226 ( -4.631 0.000 -7.983) 9.229 5.248 ( 1.095 0.000 1.201) 1.625 5.321 ( 12.207 0.000 0.632) 12.224 5.462 ( -0.447 0.000 -2.809) 2.844 5.505 ( -4.670 0.000 -3.064) 5.585 5.537 ( -5.776 0.000 -2.439) 6.270 5.668 ( -2.285 0.000 -11.234) 11.464 5.811 ( 7.253 0.000 -0.006) 7.253 6.124 ( -7.577 0.000 2.642) 8.024 6.282 ( -0.537 0.000 1.958) 2.030 6.341 ( -8.974 0.000 4.238) 9.924 6.693 ( 3.555 0.000 -2.135) 4.147 6.717 ( -6.168 0.000 -2.160) 6.535 6.742 ( 5.591 0.000 2.390) 6.080 6.785 ( 0.408 0.000 -1.000) 1.080 6.848 ( 5.938 0.000 7.328) 9.432 6.908 ( 0.754 0.000 -6.241) 6.286 6.923 ( -3.002 0.000 -4.721) 5.595 7.117 ( 0.842 0.000 -4.044) 4.131 7.213 ( -1.216 0.000 4.445) 4.609 7.261 ( -0.288 0.000 -1.862) 1.884 7.334 ( 1.889 0.000 0.126) 1.893 7.566 ( -6.624 0.000 -3.265) 7.385 7.643 ( -3.118 0.000 -1.143) 3.321 7.697 ( -6.009 0.000 -6.368) 8.756 7.726 ( 1.300 0.000 2.308) 2.649 7.750 ( 0.397 0.000 -2.122) 2.159 7.851 ( -0.193 0.000 4.279) 4.284 7.907 ( 7.656 0.000 4.031) 8.652 7.952 ( -9.531 0.000 2.545) 9.865 8.081 ( 6.554 0.000 -0.059) 6.555 8.191 ( -0.426 0.000 -1.399) 1.462 8.326 ( -0.921 0.000 -3.051) 3.187 8.377 ( 6.942 0.000 3.257) 7.668 8.565 ( -2.222 0.000 0.643) 2.313 8.700 ( 3.811 0.000 1.909) 4.262 11.979 ( -0.176 0.000 0.308) 0.355 11.988 ( -0.421 0.000 -0.272) 0.501 12.823 ( -1.329 0.000 3.414) 3.664 13.058 ( 1.832 0.000 -2.788) 3.336 13.951 ( -3.321 0.000 -1.441) 3.620 13.983 ( 0.623 0.000 0.820) 1.030 14.097 ( 0.791 0.000 -1.193) 1.432 14.113 ( 1.548 0.000 -0.483) 1.622 14.164 ( 2.095 0.000 -2.367) 3.160 14.229 ( -1.336 0.000 -4.442) 4.639 14.268 ( 0.030 0.000 0.892) 0.892 14.272 ( -0.029 0.000 -0.071) 0.076 14.345 ( -0.561 0.000 1.728) 1.817 14.356 ( -1.370 0.000 1.911) 2.351 14.564 ( -1.207 0.000 -3.412) 3.619 14.583 ( -2.964 0.000 -1.610) 3.373 14.610 ( 4.802 0.000 -1.660) 5.081 14.719 ( 4.804 0.000 4.019) 6.264 14.863 ( -10.931 0.000 -4.361) 11.769 15.027 ( 6.995 0.000 9.337) 11.667 17.652 ( -19.000 0.000 -1.876) 19.092 18.228 ( 6.535 0.000 1.902) 6.806 18.253 ( -0.670 0.000 -0.510) 0.842 18.399 ( 4.124 0.000 2.093) 4.625 18.561 ( 2.896 0.000 -2.241) 3.662 18.602 ( 5.553 0.000 1.325) 5.709 18.749 ( 3.247 0.000 0.071) 3.248 18.811 ( 1.484 0.000 0.582) 1.594 ======================= Grid point 68 (26/80) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -32.795 0.000 0.066) 32.795 0.722 ( -24.491 0.000 28.327) 37.447 0.815 ( -32.289 0.000 21.228) 38.642 1.626 ( -6.161 0.000 7.044) 9.359 1.859 ( -8.802 0.000 6.631) 11.020 1.881 ( -0.772 0.000 6.750) 6.794 2.098 ( -2.440 0.000 2.247) 3.317 2.165 ( -0.656 0.000 -0.653) 0.925 2.221 ( 7.174 0.000 -8.516) 11.135 2.239 ( -3.804 0.000 -0.641) 3.858 2.440 ( 6.271 0.000 1.644) 6.483 2.471 ( 3.178 0.000 -4.768) 5.730 2.543 ( 2.255 0.000 -4.416) 4.958 2.669 ( -0.473 0.000 -7.254) 7.270 2.770 ( 1.389 0.000 3.010) 3.315 2.775 ( -3.825 0.000 -0.017) 3.825 2.858 ( -0.463 0.000 -4.217) 4.242 3.126 ( -4.583 0.000 -1.888) 4.957 3.166 ( -2.301 0.000 -2.369) 3.302 3.325 ( 3.251 0.000 1.661) 3.651 3.342 ( 8.208 0.000 -11.820) 14.391 3.467 ( 0.134 0.000 -5.214) 5.216 3.536 ( 0.456 0.000 0.792) 0.914 3.559 ( 4.564 0.000 -4.464) 6.384 3.690 ( 1.554 0.000 2.244) 2.730 3.791 ( 7.490 0.000 4.095) 8.536 3.856 ( 3.213 0.000 -0.609) 3.271 3.967 ( -0.778 0.000 -1.607) 1.785 4.009 ( -0.631 0.000 -6.237) 6.269 4.075 ( 8.759 0.000 2.536) 9.118 4.107 ( -1.247 0.000 5.835) 5.966 4.304 ( 1.360 0.000 -2.680) 3.006 4.430 ( -2.715 0.000 0.066) 2.715 4.510 ( -1.829 0.000 0.295) 1.853 4.568 ( 4.719 0.000 -2.017) 5.132 4.578 ( 3.818 0.000 -0.203) 3.824 4.688 ( 1.226 0.000 8.431) 8.520 4.693 ( -0.018 0.000 -1.001) 1.001 4.777 ( 0.095 0.000 4.671) 4.672 4.849 ( 0.649 0.000 0.374) 0.749 4.863 ( -2.376 0.000 -2.334) 3.331 4.955 ( -4.865 0.000 -2.186) 5.333 5.097 ( 0.896 0.000 -4.013) 4.112 5.112 ( -2.393 0.000 -4.820) 5.381 5.117 ( 13.936 0.000 10.063) 17.189 5.308 ( -1.533 0.000 8.842) 8.974 5.316 ( 1.614 0.000 -2.763) 3.199 5.396 ( -3.321 0.000 -10.535) 11.046 5.460 ( -0.590 0.000 2.145) 2.225 5.509 ( -2.303 0.000 -0.739) 2.419 5.758 ( 12.078 0.000 24.484) 27.301 5.952 ( 6.060 0.000 0.577) 6.087 5.984 ( -7.946 0.000 -0.926) 7.999 6.166 ( -11.119 0.000 5.843) 12.561 6.260 ( -3.861 0.000 2.156) 4.422 6.537 ( -1.100 0.000 -10.289) 10.347 6.716 ( 0.546 0.000 -0.539) 0.767 6.839 ( 3.924 0.000 -6.766) 7.821 6.853 ( 1.194 0.000 1.109) 1.630 6.869 ( -0.128 0.000 2.787) 2.790 6.894 ( 2.543 0.000 2.841) 3.813 7.006 ( 3.820 0.000 4.745) 6.092 7.066 ( -0.586 0.000 -7.218) 7.241 7.187 ( -4.831 0.000 -1.812) 5.159 7.237 ( -1.393 0.000 5.117) 5.303 7.382 ( -4.502 0.000 -4.159) 6.129 7.429 ( -3.443 0.000 -3.921) 5.218 7.531 ( 4.486 0.000 -5.651) 7.215 7.663 ( 2.406 0.000 5.533) 6.034 7.759 ( 2.501 0.000 -1.554) 2.945 7.770 ( 0.485 0.000 2.472) 2.519 7.774 ( -10.716 0.000 2.088) 10.918 7.881 ( -1.579 0.000 3.915) 4.222 8.081 ( 4.553 0.000 4.556) 6.441 8.148 ( 2.908 0.000 -1.543) 3.292 8.176 ( 0.436 0.000 -0.857) 0.962 8.312 ( 0.845 0.000 -1.368) 1.608 8.497 ( 3.850 0.000 1.592) 4.166 8.552 ( 0.013 0.000 2.579) 2.579 8.769 ( 2.151 0.000 0.184) 2.159 11.976 ( -0.379 0.000 0.185) 0.421 11.978 ( -0.313 0.000 -0.172) 0.358 12.820 ( -1.905 0.000 2.186) 2.899 13.009 ( -2.420 0.000 -9.379) 9.686 13.899 ( -1.182 0.000 -0.195) 1.198 13.976 ( -1.388 0.000 -0.851) 1.628 14.081 ( 0.468 0.000 -1.605) 1.672 14.130 ( 1.155 0.000 -1.176) 1.648 14.182 ( 0.025 0.000 -1.242) 1.242 14.196 ( 2.099 0.000 1.067) 2.355 14.260 ( -0.803 0.000 0.379) 0.888 14.287 ( 1.140 0.000 0.494) 1.242 14.360 ( -0.867 0.000 2.543) 2.687 14.400 ( 2.602 0.000 3.306) 4.206 14.526 ( -2.352 0.000 -0.205) 2.361 14.561 ( 1.575 0.000 -2.287) 2.777 14.640 ( -6.638 0.000 -2.340) 7.038 14.661 ( 2.936 0.000 -2.403) 3.794 14.853 ( 1.572 0.000 -1.210) 1.984 15.193 ( 2.935 0.000 1.592) 3.339 17.344 ( -12.139 0.000 3.745) 12.703 18.219 ( -0.618 0.000 0.955) 1.137 18.278 ( 1.713 0.000 -3.942) 4.299 18.486 ( 2.159 0.000 3.003) 3.699 18.609 ( 3.620 0.000 -0.523) 3.658 18.657 ( -1.911 0.000 -0.113) 1.914 18.825 ( 0.045 0.000 1.174) 1.175 18.882 ( 9.267 0.000 -0.175) 9.269 ======================= Grid point 69 (27/80) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 1.081 17.249 16.732) 24.055 0.751 ( 18.254 16.267 24.414) 34.553 1.289 ( -9.156 29.905 30.732) 43.847 1.646 ( -5.112 6.335 1.759) 8.329 1.891 ( -1.910 5.757 4.912) 7.805 1.905 ( -6.286 8.107 -3.540) 10.852 2.105 ( 5.964 -3.264 -8.543) 10.919 2.170 ( -0.159 3.424 3.747) 5.078 2.275 ( -2.155 8.277 -1.588) 8.699 2.395 ( 1.513 6.706 2.895) 7.460 2.449 ( -4.226 6.781 -7.542) 10.988 2.501 ( 0.879 6.008 -12.262) 13.683 2.615 ( 1.013 5.918 0.041) 6.004 2.676 ( 1.750 2.900 2.697) 4.330 2.705 ( 4.891 2.277 -1.958) 5.740 2.829 ( 1.339 2.473 -0.138) 2.816 2.932 ( -2.472 7.219 -1.221) 7.728 3.108 ( -1.655 2.627 2.566) 4.028 3.168 ( 2.550 1.475 -7.715) 8.258 3.241 ( 2.865 -2.590 -2.852) 4.801 3.304 ( -0.375 -4.081 -0.067) 4.099 3.512 ( 2.285 -1.073 -1.310) 2.844 3.582 ( -1.241 -1.411 2.798) 3.370 3.635 ( -1.057 1.000 -0.583) 1.567 3.670 ( 1.622 1.110 1.756) 2.635 3.776 ( -2.716 -3.843 -8.327) 9.564 3.841 ( 2.945 0.613 -4.750) 5.622 3.998 ( 3.375 0.949 1.577) 3.844 4.062 ( 0.116 -0.935 5.236) 5.321 4.092 ( 1.721 -0.798 -0.375) 1.934 4.186 ( -6.304 2.331 2.410) 7.140 4.293 ( -0.848 0.919 -5.277) 5.423 4.314 ( -4.680 -1.306 -12.124) 13.062 4.424 ( -1.670 -3.837 1.851) 4.576 4.531 ( 1.525 -3.082 -5.381) 6.386 4.558 ( -3.598 0.788 -1.656) 4.038 4.636 ( -8.839 -4.375 -2.941) 10.292 4.679 ( -1.212 -2.001 0.338) 2.364 4.757 ( 4.131 2.682 -3.361) 5.962 4.870 ( 1.142 -2.740 2.085) 3.627 4.901 ( -2.359 1.841 2.965) 4.212 4.982 ( 2.463 -2.663 2.445) 4.374 5.111 ( 7.915 1.757 -0.505) 8.123 5.148 ( 0.688 -2.758 0.250) 2.853 5.209 ( 7.136 -2.746 5.499) 9.418 5.240 ( -1.258 -5.929 -2.689) 6.631 5.294 ( -3.211 -2.097 5.790) 6.945 5.364 ( -4.689 2.838 -0.456) 5.500 5.548 ( 2.745 2.138 3.463) 4.909 5.655 ( 3.745 5.117 2.826) 6.943 5.850 ( -3.979 -7.347 6.986) 10.891 5.961 ( -3.204 2.456 5.086) 6.493 6.068 ( 1.316 4.450 -1.438) 4.858 6.234 ( -2.880 -2.509 7.939) 8.810 6.426 ( 15.373 -8.959 0.029) 17.793 6.457 ( 4.169 -5.362 -4.582) 8.193 6.630 ( -7.799 -5.428 3.515) 10.131 6.724 ( -1.801 -6.269 -3.033) 7.193 6.827 ( -1.119 -2.636 0.359) 2.886 6.853 ( 5.389 1.571 3.590) 6.663 6.966 ( -0.210 -1.859 2.185) 2.877 6.978 ( 2.185 -3.953 -3.111) 5.485 7.024 ( 1.299 -0.679 -3.130) 3.456 7.070 ( -2.069 -5.805 -1.349) 6.308 7.118 ( -0.311 1.016 2.705) 2.906 7.311 ( -3.624 0.450 4.004) 5.419 7.412 ( -0.488 0.745 -2.725) 2.867 7.523 ( 1.103 -0.333 -5.483) 5.603 7.587 ( 2.585 -1.955 -0.285) 3.253 7.728 ( 2.776 -1.704 0.181) 3.262 7.771 ( -1.630 4.955 -0.643) 5.256 7.808 ( -0.296 1.200 0.669) 1.405 7.992 ( -2.412 6.634 5.495) 8.945 8.102 ( -2.993 0.429 2.160) 3.716 8.169 ( 0.865 -1.011 0.929) 1.623 8.250 ( -0.465 0.435 1.826) 1.934 8.360 ( 2.890 4.393 -1.233) 5.401 8.513 ( -1.685 -0.279 -2.189) 2.776 8.569 ( 0.398 -2.986 4.262) 5.219 8.756 ( -0.941 -1.272 -2.152) 2.671 12.018 ( 0.110 4.244 0.305) 4.257 12.159 ( 0.770 8.109 -7.895) 11.344 12.763 ( -1.517 -3.456 1.199) 3.960 12.874 ( 2.669 -1.650 -1.402) 3.437 13.902 ( 1.167 0.264 0.690) 1.381 13.965 ( 0.791 -1.121 -3.607) 3.859 14.097 ( 2.040 -0.702 0.486) 2.211 14.138 ( 0.772 -0.665 -0.385) 1.089 14.166 ( 0.728 -1.336 -1.085) 1.869 14.192 ( -1.224 -2.538 -0.448) 2.853 14.253 ( 0.641 1.979 0.420) 2.122 14.328 ( 0.012 1.545 1.477) 2.138 14.343 ( -2.012 1.012 -1.346) 2.623 14.449 ( -8.253 0.280 -1.093) 8.329 14.513 ( -0.655 4.744 0.005) 4.789 14.573 ( 1.657 3.479 -0.971) 3.974 14.666 ( -1.707 8.456 0.988) 8.683 14.724 ( 2.301 4.305 2.265) 5.381 14.789 ( -3.314 8.073 -2.006) 8.954 15.140 ( -5.706 -1.756 -5.279) 7.970 17.484 ( 4.742 7.381 9.971) 13.281 18.242 ( 2.566 -1.297 -7.274) 7.821 18.265 ( 2.253 -0.979 0.924) 2.624 18.416 ( -8.279 -6.786 -3.228) 11.181 18.533 ( 0.252 -5.395 -0.255) 5.407 18.557 ( 5.961 -12.264 4.805) 14.457 18.819 ( 1.117 -5.614 2.738) 6.345 18.874 ( 0.135 -8.877 0.772) 8.911 ======================= Grid point 70 (28/80) ======================= q-point: ( 0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 7.570 16.185 14.543) 23.038 1.268 ( 4.363 20.831 25.918) 33.537 1.546 ( -2.000 5.676 -1.607) 6.229 1.610 ( 8.596 11.724 14.895) 20.814 1.704 ( -5.608 6.290 -5.326) 9.969 1.913 ( -12.758 2.602 -6.808) 14.693 2.023 ( 4.147 2.870 8.045) 9.495 2.185 ( 9.276 -2.703 -13.484) 16.588 2.318 ( -5.350 11.360 1.114) 12.606 2.362 ( 7.679 2.297 2.360) 8.355 2.436 ( 1.960 8.840 -0.609) 9.075 2.487 ( 5.585 5.690 -0.008) 7.973 2.615 ( -1.421 5.332 -3.175) 6.366 2.652 ( -2.037 1.643 -1.997) 3.292 2.769 ( 3.414 4.921 -2.656) 6.552 2.847 ( 1.535 0.300 2.025) 2.559 2.961 ( 1.246 5.780 1.062) 6.007 3.070 ( -0.396 -1.132 -2.268) 2.565 3.156 ( -4.016 -5.372 -5.151) 8.457 3.245 ( 6.801 5.252 -1.862) 8.792 3.292 ( -6.616 0.326 -2.700) 7.153 3.460 ( 0.576 -1.214 -1.999) 2.408 3.506 ( -2.467 -5.295 2.287) 6.273 3.596 ( -0.912 1.928 -2.966) 3.653 3.718 ( 3.429 2.219 -5.431) 6.796 3.814 ( 2.333 -0.003 7.693) 8.039 3.861 ( 0.568 2.397 -4.240) 4.904 3.932 ( -7.425 4.584 -3.225) 9.303 4.015 ( -2.586 -4.099 0.246) 4.853 4.046 ( -5.614 0.799 -5.138) 7.652 4.189 ( 2.770 -1.089 1.332) 3.261 4.207 ( 1.320 -3.664 2.155) 4.451 4.323 ( 3.902 -0.759 5.581) 6.852 4.354 ( -10.319 -2.644 -3.926) 11.353 4.403 ( -1.989 -0.848 3.781) 4.356 4.522 ( 0.285 -0.398 -5.256) 5.279 4.592 ( 1.209 0.494 4.041) 4.247 4.682 ( -3.259 3.516 -2.158) 5.257 4.781 ( -0.185 -1.214 -5.275) 5.416 4.820 ( -5.603 3.177 -1.433) 6.598 4.868 ( 7.281 0.646 -0.394) 7.320 4.977 ( -2.612 -2.158 0.677) 3.455 5.091 ( -10.385 -0.343 6.744) 12.387 5.187 ( -1.767 -5.661 -3.717) 6.999 5.257 ( 0.078 -3.018 -1.391) 3.324 5.295 ( 2.945 -0.836 3.784) 4.868 5.325 ( 0.356 1.522 3.008) 3.390 5.416 ( 4.674 -2.622 3.777) 6.557 5.576 ( -0.187 1.321 -0.484) 1.419 5.724 ( 3.785 -6.085 -0.606) 7.191 5.855 ( -0.396 0.165 6.309) 6.324 5.951 ( -4.394 -1.347 3.193) 5.597 6.085 ( -4.469 -0.564 8.728) 9.822 6.186 ( -1.081 0.342 -1.144) 1.611 6.388 ( -6.646 2.806 0.075) 7.214 6.482 ( -3.511 -6.779 -8.457) 11.393 6.583 ( -0.363 -6.488 3.034) 7.172 6.710 ( 1.002 -4.764 -3.620) 6.066 6.843 ( -0.678 -0.981 0.864) 1.472 6.875 ( 0.539 -0.946 -3.221) 3.400 6.958 ( 2.737 -3.842 -3.649) 5.963 7.021 ( 4.462 -3.449 -4.547) 7.244 7.056 ( 3.014 -0.472 3.734) 4.822 7.114 ( 2.708 -2.598 6.103) 7.165 7.204 ( 0.824 2.353 -1.544) 2.933 7.295 ( 1.564 -2.296 0.851) 2.906 7.424 ( 6.663 -5.563 -0.943) 8.731 7.548 ( 2.560 1.932 -3.662) 4.868 7.656 ( 3.636 0.693 0.991) 3.832 7.687 ( 0.310 -2.388 -3.539) 4.280 7.771 ( -2.086 -0.090 0.250) 2.103 7.858 ( 5.563 5.802 -0.431) 8.050 7.994 ( -3.082 6.093 5.673) 8.877 8.060 ( -3.986 1.930 3.782) 5.824 8.162 ( -3.496 0.088 0.145) 3.500 8.226 ( -0.194 -0.363 0.423) 0.591 8.402 ( -5.171 1.566 -3.173) 6.266 8.440 ( 2.025 3.080 2.045) 4.216 8.603 ( -1.138 -1.992 3.710) 4.362 8.687 ( -3.245 -0.338 -3.331) 4.663 12.021 ( -0.360 4.099 -0.045) 4.115 12.080 ( -1.560 8.109 -2.195) 8.545 12.752 ( -0.857 -3.004 0.947) 3.264 12.939 ( 4.748 -3.192 -3.547) 6.732 13.936 ( 0.604 -1.742 -0.235) 1.859 13.943 ( 0.411 -0.293 -0.212) 0.547 14.079 ( -1.700 -1.533 -2.293) 3.240 14.117 ( -0.339 0.078 0.406) 0.535 14.172 ( 0.220 0.261 -1.270) 1.315 14.195 ( 1.857 0.729 -1.445) 2.463 14.249 ( -1.061 -3.386 -1.040) 3.698 14.293 ( -1.212 -0.537 -1.099) 1.722 14.359 ( 1.007 1.698 3.225) 3.781 14.400 ( 3.399 3.865 2.480) 5.713 14.535 ( 2.275 0.799 -0.030) 2.412 14.621 ( 1.641 3.993 1.224) 4.487 14.671 ( 1.798 8.715 1.178) 8.976 14.749 ( -2.026 4.122 0.686) 4.644 14.895 ( 6.824 0.456 8.675) 11.047 14.907 ( -9.343 0.932 -8.017) 12.347 17.726 ( 8.255 6.331 12.042) 15.913 18.128 ( -6.349 -7.255 -15.055) 17.877 18.252 ( -0.852 -1.685 -1.933) 2.702 18.342 ( 2.084 -0.426 4.192) 4.701 18.514 ( -2.019 -7.256 -0.530) 7.551 18.608 ( -1.040 -5.938 -0.750) 6.075 18.802 ( -6.058 -10.063 1.441) 11.834 18.858 ( -2.484 -3.070 0.402) 3.969 ======================= Grid point 71 (29/80) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 2.693 13.601 9.679) 16.909 1.365 ( 0.721 2.593 -14.298) 14.549 1.510 ( -1.744 15.546 18.879) 24.518 1.603 ( -0.579 8.243 4.782) 9.547 1.755 ( -2.294 3.833 4.595) 6.408 1.804 ( -3.154 12.282 6.583) 14.287 2.067 ( -0.233 -3.343 -4.089) 5.286 2.221 ( -2.667 8.740 -3.045) 9.632 2.345 ( 8.955 0.923 -0.591) 9.022 2.399 ( -1.030 1.630 -3.548) 4.038 2.491 ( -0.658 2.243 -4.591) 5.151 2.564 ( 4.730 5.375 -5.344) 8.934 2.602 ( -0.603 5.431 6.506) 8.496 2.747 ( 5.662 3.680 2.238) 7.114 2.787 ( 5.031 2.961 -1.028) 5.928 2.892 ( 0.098 -1.408 5.120) 5.311 2.972 ( 0.738 2.711 -4.097) 4.967 3.012 ( -2.100 -1.721 -3.333) 4.299 3.046 ( 1.809 -2.148 -5.620) 6.282 3.199 ( 3.419 2.445 -0.297) 4.214 3.248 ( -4.833 -1.102 -3.972) 6.352 3.471 ( -2.829 -6.992 6.262) 9.803 3.562 ( 4.845 7.833 -3.770) 9.952 3.647 ( 5.128 1.119 4.071) 6.643 3.713 ( -1.776 -4.105 0.310) 4.484 3.728 ( 2.394 5.726 -7.379) 9.642 3.831 ( -7.074 3.986 -1.821) 8.321 3.878 ( -4.748 -0.043 -1.798) 5.078 3.965 ( -2.666 -1.453 7.011) 7.640 3.983 ( 3.002 0.403 -4.858) 5.725 4.090 ( -6.184 -1.593 -1.245) 6.506 4.232 ( -1.038 -3.398 0.810) 3.644 4.319 ( 2.209 2.157 3.008) 4.310 4.412 ( -4.397 1.442 -5.447) 7.147 4.455 ( 1.482 1.985 2.916) 3.826 4.486 ( 1.996 1.862 8.449) 8.879 4.568 ( -1.043 4.275 1.306) 4.590 4.664 ( -0.255 -0.548 4.148) 4.192 4.692 ( -1.066 2.291 -2.050) 3.254 4.840 ( 4.967 1.617 -1.270) 5.376 4.926 ( -2.924 0.651 1.749) 3.468 5.003 ( -1.627 -1.146 3.840) 4.325 5.034 ( 3.594 -0.408 2.325) 4.300 5.066 ( -6.154 -0.155 -4.576) 7.670 5.132 ( -5.564 -8.655 -3.040) 10.729 5.253 ( -8.289 3.500 2.479) 9.333 5.402 ( 3.770 0.165 -3.213) 4.956 5.495 ( 1.465 -2.421 0.784) 2.937 5.571 ( 1.557 -4.624 -3.986) 6.300 5.759 ( -4.188 -8.556 1.986) 9.731 5.834 ( -2.780 -1.148 -2.338) 3.809 5.993 ( 5.000 -0.967 7.023) 8.675 6.038 ( -5.392 0.168 0.663) 5.435 6.203 ( 1.712 -1.116 -0.794) 2.192 6.247 ( -2.774 2.853 -1.030) 4.110 6.452 ( 3.314 -4.324 -2.517) 6.001 6.578 ( -2.829 -6.776 3.074) 7.961 6.675 ( -1.268 -1.945 -1.841) 2.963 6.784 ( -3.552 -0.639 3.918) 5.327 6.899 ( 1.779 -3.424 -4.193) 5.698 6.980 ( 1.868 -6.302 -2.534) 7.045 7.026 ( 4.538 -2.962 -6.603) 8.542 7.133 ( -3.888 -0.631 0.086) 3.940 7.163 ( 1.038 -3.517 0.289) 3.678 7.210 ( 4.562 4.566 -2.036) 6.768 7.368 ( 3.814 -5.150 3.974) 7.540 7.516 ( 0.506 1.598 -0.278) 1.699 7.595 ( 8.772 -3.492 0.065) 9.442 7.661 ( 1.281 4.255 -6.058) 7.513 7.711 ( -0.198 -2.727 0.350) 2.757 7.785 ( 2.932 -1.802 3.295) 4.764 7.901 ( -0.819 3.995 -3.263) 5.223 8.001 ( -2.452 3.086 5.548) 6.805 8.038 ( -3.286 0.922 4.036) 5.286 8.100 ( -0.643 6.930 -1.237) 7.069 8.239 ( -2.122 1.989 0.948) 3.059 8.258 ( -3.072 4.044 -2.641) 5.724 8.481 ( -0.806 0.665 0.591) 1.201 8.583 ( -1.789 -0.296 -0.287) 1.836 8.626 ( -1.644 0.560 1.424) 2.245 12.008 ( -0.328 3.595 -0.229) 3.617 12.062 ( -0.134 6.218 -0.108) 6.221 12.754 ( -0.366 -3.051 1.768) 3.545 12.972 ( 2.732 -3.034 -2.685) 4.886 13.919 ( 0.012 -2.340 -0.504) 2.394 13.982 ( 0.996 -2.750 1.131) 3.136 14.060 ( 1.958 -1.885 -3.116) 4.135 14.110 ( -0.434 0.726 -0.467) 0.966 14.167 ( 0.973 0.827 -1.628) 2.069 14.210 ( 1.170 -0.802 -0.609) 1.544 14.226 ( 0.073 -4.119 -2.040) 4.597 14.279 ( 0.025 -0.159 -0.105) 0.192 14.410 ( -1.021 2.978 3.443) 4.665 14.439 ( 1.624 0.515 -0.187) 1.714 14.559 ( -1.097 0.634 1.855) 2.247 14.593 ( -5.905 1.506 -4.604) 7.637 14.660 ( 0.876 4.505 -0.889) 4.674 14.800 ( 3.587 5.382 3.764) 7.483 14.803 ( 0.070 3.944 1.768) 4.323 15.059 ( 2.291 -0.130 5.025) 5.524 17.896 ( -1.677 -8.369 -7.626) 11.446 17.980 ( 7.222 4.632 6.489) 10.757 18.252 ( 2.386 -0.859 -2.119) 3.305 18.335 ( -8.034 0.824 2.169) 8.363 18.469 ( -0.661 -9.438 -2.246) 9.725 18.628 ( 4.049 -1.591 2.226) 4.887 18.700 ( -6.318 -7.173 2.602) 9.907 18.757 ( -6.282 -1.408 -3.232) 7.203 ======================= Grid point 72 (30/80) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -10.657 10.722 3.315) 15.476 1.514 ( 4.753 10.142 12.521) 16.799 1.615 ( 1.031 12.732 13.723) 18.748 1.642 ( 3.111 4.978 2.502) 6.381 1.777 ( -2.709 3.596 7.075) 8.387 1.838 ( -2.236 9.649 11.606) 15.258 2.068 ( 3.181 0.194 1.663) 3.595 2.171 ( 1.290 3.595 -7.278) 8.219 2.330 ( -5.197 2.949 -8.809) 10.644 2.403 ( 2.329 3.587 3.648) 5.621 2.474 ( -2.744 8.745 -5.336) 10.606 2.518 ( 1.118 0.069 -4.710) 4.841 2.591 ( 1.720 3.497 -4.321) 5.818 2.714 ( -4.930 3.419 -7.778) 9.823 2.810 ( 2.036 0.801 -4.328) 4.850 2.844 ( -0.377 0.657 -6.837) 6.879 2.930 ( -3.282 3.248 2.330) 5.172 3.051 ( 1.520 -6.158 -0.798) 6.393 3.183 ( 2.114 -3.144 1.453) 4.058 3.217 ( 11.090 -1.463 5.842) 12.620 3.291 ( 0.775 -0.739 -1.841) 2.130 3.378 ( -7.442 -6.240 5.259) 11.045 3.583 ( -4.961 0.683 -4.316) 6.611 3.631 ( 5.002 -1.484 -1.340) 5.387 3.653 ( -0.794 0.213 -7.685) 7.729 3.768 ( 5.455 10.270 -2.497) 11.894 3.791 ( -1.663 1.860 -0.986) 2.683 3.825 ( -5.135 3.666 -1.864) 6.579 3.898 ( 0.901 1.290 5.685) 5.899 4.038 ( 5.022 3.540 -2.249) 6.543 4.115 ( 2.072 -0.247 5.280) 5.677 4.237 ( -0.617 4.203 -0.985) 4.361 4.276 ( 0.361 -1.619 2.003) 2.601 4.436 ( -1.688 0.542 7.148) 7.365 4.475 ( -0.973 -0.786 2.580) 2.867 4.507 ( 0.465 1.535 1.797) 2.409 4.613 ( -1.466 0.116 2.534) 2.930 4.664 ( 1.601 3.140 1.700) 3.913 4.762 ( -0.460 -1.284 3.519) 3.774 4.817 ( -4.167 -0.369 -2.413) 4.829 4.915 ( 0.506 0.358 -1.197) 1.348 4.957 ( -2.436 -0.912 -0.192) 2.609 5.028 ( 2.342 5.117 -3.042) 6.397 5.066 ( 5.134 -1.457 4.961) 7.286 5.120 ( -0.361 -4.935 1.646) 5.214 5.187 ( -1.320 1.752 5.431) 5.857 5.350 ( -1.969 -3.173 -9.892) 10.574 5.508 ( 0.080 1.901 1.696) 2.549 5.558 ( -1.746 -3.332 -5.837) 6.944 5.664 ( 0.425 -6.308 -1.114) 6.420 5.771 ( -2.975 2.507 -4.305) 5.803 5.904 ( -3.458 4.679 -9.202) 10.887 6.116 ( -3.031 -6.367 7.500) 10.295 6.219 ( 2.596 -2.662 -0.900) 3.826 6.298 ( 2.909 -1.966 5.463) 6.494 6.492 ( 1.375 -7.989 1.398) 8.226 6.594 ( 0.535 -5.327 5.555) 7.715 6.657 ( 1.414 -2.165 -0.404) 2.617 6.785 ( -1.515 -1.000 5.477) 5.770 6.860 ( 0.152 -2.744 -7.724) 8.199 6.948 ( -2.504 -3.029 -11.597) 12.244 6.989 ( 0.408 -9.864 -3.382) 10.435 7.059 ( 2.244 -0.793 -4.091) 4.734 7.208 ( -1.501 0.911 3.128) 3.587 7.256 ( 5.302 3.196 -3.671) 7.197 7.424 ( -4.109 -0.694 5.943) 7.259 7.574 ( 2.292 -1.641 3.707) 4.657 7.618 ( 1.455 2.540 -4.850) 5.665 7.716 ( 0.166 -4.657 1.322) 4.844 7.757 ( 5.140 0.145 3.919) 6.465 7.798 ( -2.759 3.480 -5.002) 6.689 7.874 ( 1.331 0.867 2.567) 3.019 7.929 ( -7.206 1.140 -2.326) 7.658 7.986 ( -1.387 2.880 -0.103) 3.199 8.141 ( 1.886 5.483 0.427) 5.814 8.180 ( -1.229 4.696 0.391) 4.869 8.276 ( 1.603 2.698 2.430) 3.969 8.425 ( -1.654 1.991 -3.279) 4.178 8.589 ( -1.213 -0.730 1.896) 2.366 8.627 ( 1.519 1.205 1.628) 2.532 12.011 ( 0.484 3.469 0.522) 3.541 12.056 ( -0.267 5.632 -0.546) 5.665 12.770 ( -0.526 -3.429 2.916) 4.532 12.997 ( 2.248 -3.558 -1.618) 4.509 13.933 ( 1.018 -1.993 1.136) 2.510 13.982 ( -1.186 -3.717 -0.491) 3.932 14.078 ( 2.035 -0.547 -1.363) 2.510 14.095 ( -0.234 0.819 -1.003) 1.316 14.174 ( 1.592 0.565 -2.501) 3.018 14.205 ( -0.276 -3.972 -1.406) 4.223 14.227 ( 1.372 -1.200 -0.826) 2.001 14.291 ( 0.995 0.793 0.514) 1.372 14.342 ( -2.623 -0.385 -2.566) 3.690 14.480 ( -2.871 5.620 -1.120) 6.410 14.528 ( 4.051 -1.033 2.279) 4.762 14.576 ( 0.174 1.960 1.660) 2.574 14.670 ( 0.988 2.358 -0.809) 2.681 14.778 ( -5.671 3.627 -2.886) 7.324 14.861 ( 2.355 2.048 6.427) 7.145 15.060 ( -4.741 1.104 -0.003) 4.868 17.935 ( 7.561 -8.505 2.403) 11.631 18.053 ( -9.866 5.339 -0.628) 11.235 18.215 ( 1.599 0.793 1.885) 2.596 18.301 ( 3.245 -1.328 0.500) 3.542 18.472 ( 4.228 -8.103 -3.317) 9.723 18.593 ( -4.766 -1.860 -4.587) 6.872 18.643 ( -4.579 -6.843 3.965) 9.139 18.741 ( 4.319 -0.479 1.901) 4.743 ======================= Grid point 73 (31/80) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -16.455 11.349 2.633) 20.161 1.363 ( -23.094 20.406 10.673) 32.614 1.617 ( -25.317 9.305 -4.250) 27.306 1.730 ( -4.587 5.453 4.690) 8.531 1.814 ( -0.482 2.895 7.667) 8.210 1.967 ( 1.459 2.503 8.485) 8.966 2.124 ( 0.857 9.617 7.281) 12.093 2.162 ( 8.788 1.247 -3.163) 9.422 2.227 ( 8.420 3.998 -4.563) 10.378 2.335 ( -2.225 4.942 -3.756) 6.594 2.466 ( -3.486 7.647 -1.594) 8.554 2.539 ( 1.772 4.643 -5.388) 7.330 2.607 ( -0.644 7.387 -1.602) 7.586 2.642 ( 8.670 3.411 3.041) 9.801 2.719 ( -2.371 -1.356 -6.676) 7.213 2.846 ( 4.176 -0.503 -6.691) 7.903 2.960 ( 1.118 5.897 1.366) 6.156 3.029 ( -0.121 -7.421 1.178) 7.515 3.223 ( -0.458 -3.909 -0.978) 4.055 3.258 ( 6.061 -4.736 -0.597) 7.715 3.338 ( -2.000 -7.318 1.541) 7.742 3.394 ( -2.249 4.861 2.204) 5.792 3.496 ( -1.613 -3.447 -6.892) 7.874 3.614 ( 0.457 1.247 2.022) 2.419 3.662 ( -0.916 4.300 -0.813) 4.471 3.763 ( 7.175 -0.445 -1.885) 7.432 3.826 ( 5.224 2.842 -0.755) 5.994 3.854 ( 5.705 9.396 -1.541) 11.100 3.987 ( 3.693 1.172 1.759) 4.255 4.081 ( 0.193 3.484 1.678) 3.872 4.130 ( -2.743 -0.295 -4.601) 5.365 4.250 ( 3.387 1.554 1.385) 3.975 4.342 ( 1.799 -3.342 7.130) 8.077 4.459 ( -4.067 -4.144 5.361) 7.902 4.470 ( -1.044 -1.705 3.991) 4.464 4.558 ( 1.546 -1.087 2.347) 3.014 4.658 ( 2.325 0.476 -1.998) 3.102 4.714 ( -2.175 1.225 2.579) 3.589 4.735 ( 5.860 -3.400 6.131) 9.137 4.796 ( -0.614 1.212 0.211) 1.375 4.858 ( -1.807 2.443 -2.706) 4.069 4.932 ( 1.875 2.806 -2.949) 4.482 5.063 ( -1.451 -1.700 -0.016) 2.235 5.130 ( -1.174 -5.169 -2.704) 5.950 5.184 ( 1.101 2.949 -3.686) 4.847 5.201 ( -3.076 -1.448 -1.234) 3.617 5.326 ( 9.856 -0.796 8.522) 13.053 5.420 ( -3.134 -3.843 -3.850) 6.278 5.544 ( -0.137 4.187 3.240) 5.296 5.599 ( -6.424 3.508 -7.548) 10.515 5.716 ( -0.141 3.760 -8.639) 9.423 5.793 ( 1.928 -2.924 0.483) 3.536 6.073 ( -5.281 -3.244 3.002) 6.887 6.272 ( 2.786 -0.330 0.438) 2.840 6.330 ( -4.690 -0.956 2.275) 5.300 6.572 ( 4.454 -10.782 5.822) 13.038 6.624 ( -3.714 -7.208 0.083) 8.109 6.706 ( 2.561 -5.457 -1.707) 6.265 6.762 ( 2.309 -0.574 -6.550) 6.969 6.836 ( -0.212 -3.440 -6.947) 7.755 6.867 ( 4.061 -0.193 6.364) 7.552 6.970 ( -1.955 -0.286 -5.925) 6.246 7.004 ( 1.504 -6.240 -6.014) 8.796 7.224 ( -2.211 0.276 6.611) 6.976 7.302 ( 0.982 -1.492 -0.434) 1.838 7.384 ( -3.091 6.366 1.177) 7.174 7.571 ( -3.306 1.402 -0.818) 3.683 7.606 ( 0.181 -4.394 -3.704) 5.750 7.655 ( -7.955 0.907 0.355) 8.014 7.743 ( 0.122 3.511 -0.995) 3.652 7.757 ( -4.656 -4.944 -1.200) 6.896 7.906 ( 2.947 4.931 4.392) 7.231 7.931 ( 4.290 4.046 1.868) 6.185 8.040 ( 5.008 -2.730 -2.512) 6.232 8.047 ( -7.133 6.365 1.066) 9.619 8.196 ( 0.221 0.446 0.312) 0.587 8.378 ( 4.457 2.025 1.997) 5.287 8.391 ( 1.667 4.057 -2.188) 4.901 8.563 ( -2.129 -0.198 0.831) 2.294 8.698 ( 3.461 -0.060 1.433) 3.747 12.025 ( -0.111 3.765 0.263) 3.776 12.056 ( 1.805 6.506 -0.410) 6.765 12.785 ( -1.239 -3.709 3.141) 5.015 13.005 ( 0.556 -4.981 -3.330) 6.018 13.919 ( -2.340 -1.459 -1.075) 2.960 13.987 ( 1.526 -1.019 1.054) 2.116 14.082 ( -0.349 -1.016 -1.415) 1.776 14.108 ( 1.331 -0.087 0.661) 1.489 14.169 ( 1.390 -0.361 -3.649) 3.921 14.193 ( 0.025 -2.963 -0.874) 3.090 14.249 ( 1.462 0.116 -0.097) 1.470 14.282 ( 0.195 1.536 -1.636) 2.253 14.352 ( 1.324 0.836 2.808) 3.215 14.407 ( -2.308 2.426 -2.989) 4.488 14.556 ( -2.470 0.994 -1.937) 3.293 14.593 ( 1.585 2.015 1.676) 3.062 14.680 ( 0.068 3.944 -0.251) 3.953 14.726 ( 2.544 0.589 3.454) 4.330 14.908 ( -8.943 4.205 -1.948) 10.072 15.018 ( 5.632 -0.969 9.020) 10.678 17.730 ( -16.689 7.305 -3.848) 18.620 18.159 ( 7.755 -7.078 3.394) 11.035 18.257 ( -0.028 0.164 -1.461) 1.471 18.382 ( 3.734 -1.878 2.511) 4.876 18.514 ( 0.803 -4.115 -3.920) 5.740 18.559 ( 6.616 -4.742 -0.415) 8.151 18.633 ( 0.144 -10.511 2.814) 10.882 18.802 ( 1.724 -1.029 -0.697) 2.125 ======================= Grid point 74 (32/80) ======================= q-point: (-0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -12.012 17.210 7.205) 22.190 0.748 ( -31.168 10.983 -7.635) 33.917 1.294 ( -19.066 30.053 23.100) 42.431 1.706 ( -5.469 7.375 5.896) 10.912 1.886 ( -1.457 2.828 2.899) 4.304 1.968 ( -2.181 6.810 6.380) 9.583 2.146 ( 1.009 1.015 -6.691) 6.843 2.166 ( -3.282 4.850 -1.746) 6.110 2.273 ( 3.921 7.139 -1.572) 8.295 2.380 ( -3.353 8.656 2.748) 9.681 2.475 ( 4.652 4.202 1.143) 6.372 2.548 ( 5.269 6.083 -4.856) 9.399 2.602 ( 1.608 7.489 -2.299) 7.997 2.641 ( -1.413 -4.515 -2.071) 5.164 2.718 ( 0.698 5.081 -5.358) 7.417 2.817 ( -0.138 1.536 -2.818) 3.212 2.992 ( -0.438 8.240 2.190) 8.538 3.095 ( 3.160 -1.543 -2.342) 4.225 3.226 ( -2.654 1.320 0.750) 3.057 3.243 ( -2.000 -5.335 -2.565) 6.248 3.310 ( 0.527 -0.459 -4.747) 4.798 3.429 ( 6.824 -2.347 1.084) 7.297 3.481 ( 3.355 -4.209 1.972) 5.733 3.598 ( 1.052 1.573 -0.245) 1.909 3.749 ( -0.850 3.847 -4.486) 5.970 3.793 ( 5.579 -0.979 2.945) 6.384 3.897 ( -1.326 1.094 -1.067) 2.024 3.952 ( 1.162 -0.106 -6.883) 6.981 4.015 ( 2.476 -1.825 1.363) 3.364 4.038 ( 2.322 2.280 -0.990) 3.402 4.193 ( 2.502 3.853 7.473) 8.772 4.335 ( 1.840 1.369 -1.042) 2.519 4.380 ( 0.763 -4.631 0.361) 4.707 4.471 ( 1.298 -6.669 -5.757) 8.905 4.511 ( 3.368 0.324 -0.172) 3.388 4.607 ( 2.140 -3.501 3.599) 5.458 4.658 ( -0.886 0.855 -1.263) 1.764 4.721 ( 1.843 1.624 3.784) 4.511 4.796 ( -0.870 -7.918 0.745) 8.001 4.838 ( -3.108 -1.628 0.125) 3.510 4.870 ( 4.052 5.398 1.044) 6.830 4.917 ( -3.648 1.252 -4.982) 6.301 5.014 ( 4.587 -4.187 -1.096) 6.307 5.081 ( 3.811 -2.337 5.371) 6.988 5.136 ( -3.813 -0.718 -1.243) 4.074 5.254 ( 3.182 -3.044 0.438) 4.425 5.346 ( -3.979 -0.759 -1.891) 4.471 5.423 ( -0.802 4.645 -0.814) 4.783 5.483 ( -0.093 5.121 -4.035) 6.520 5.591 ( 0.444 2.053 1.448) 2.552 5.749 ( 7.284 -0.534 17.529) 18.990 5.845 ( -0.914 -6.625 3.396) 7.500 6.043 ( 0.435 2.996 0.696) 3.106 6.219 ( -6.575 3.987 0.291) 7.695 6.310 ( 1.396 2.934 -0.614) 3.307 6.485 ( -1.455 -5.048 -8.280) 9.806 6.734 ( -0.449 -8.807 2.560) 9.182 6.751 ( -1.579 1.725 -2.966) 3.777 6.762 ( 2.876 -4.787 -0.708) 5.630 6.795 ( 6.644 -6.450 3.085) 9.761 6.881 ( -1.593 -2.040 -1.384) 2.935 6.978 ( 1.764 -2.287 1.751) 3.378 7.004 ( 3.675 -5.651 -4.884) 8.324 7.180 ( -6.937 -0.473 -0.511) 6.971 7.273 ( -7.604 -4.109 0.543) 8.660 7.324 ( -4.514 5.613 4.817) 8.665 7.453 ( -3.295 -3.094 -3.110) 5.486 7.560 ( 2.699 6.057 -5.019) 8.316 7.620 ( -3.962 -1.361 0.998) 4.306 7.659 ( 1.467 -4.902 -2.978) 5.920 7.776 ( 1.325 -0.131 1.699) 2.158 7.868 ( -7.041 7.361 0.373) 10.194 7.971 ( -0.442 6.233 3.531) 7.177 8.076 ( 3.679 -1.087 4.366) 5.812 8.126 ( 3.451 -1.908 0.106) 3.945 8.206 ( 0.698 3.611 1.190) 3.866 8.368 ( 0.410 4.124 -3.237) 5.258 8.485 ( 3.278 -0.874 1.351) 3.651 8.547 ( -0.632 -0.313 1.602) 1.750 8.758 ( 1.996 -1.024 -0.265) 2.259 12.018 ( -0.249 4.064 -0.116) 4.074 12.121 ( 6.371 8.146 -2.394) 10.615 12.782 ( -1.844 -3.781 2.130) 4.715 12.936 ( -3.333 -4.996 -5.159) 7.917 13.887 ( -0.135 0.059 -0.199) 0.248 13.997 ( -0.130 0.077 -3.514) 3.517 14.056 ( 1.160 -2.187 -0.909) 2.637 14.126 ( 0.333 -0.484 0.237) 0.633 14.166 ( 1.402 -0.278 -2.475) 2.858 14.198 ( 0.338 -3.571 0.373) 3.606 14.250 ( 0.132 0.565 -1.052) 1.201 14.313 ( 0.464 5.172 1.824) 5.504 14.370 ( 1.850 -0.008 -0.196) 1.860 14.420 ( 1.149 1.196 3.879) 4.219 14.503 ( -1.274 -0.675 -1.604) 2.156 14.619 ( 0.609 4.730 -1.005) 4.874 14.704 ( 0.661 2.970 1.334) 3.322 14.726 ( -5.774 7.181 0.693) 9.241 14.872 ( 2.896 0.961 4.119) 5.126 15.173 ( 2.799 -2.156 2.289) 4.210 17.453 ( -8.727 9.204 0.300) 12.687 18.228 ( 0.164 0.435 -0.788) 0.915 18.248 ( 2.949 -3.251 -3.152) 5.404 18.456 ( 0.267 -4.400 1.407) 4.627 18.488 ( 0.216 -6.079 -1.033) 6.170 18.581 ( -3.654 -7.588 0.699) 8.451 18.757 ( 6.552 -10.331 1.181) 12.290 18.819 ( 2.399 -2.542 -0.380) 3.516 ======================= Grid point 75 (33/80) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 11.762 20.551 14.916) 27.986 1.244 ( 13.889 29.172 -3.037) 32.452 1.736 ( -3.364 0.339 -8.273) 8.937 1.833 ( -7.287 23.294 16.132) 29.257 2.003 ( 4.776 3.946 0.578) 6.222 2.025 ( -3.920 5.866 -2.494) 7.483 2.170 ( -2.990 9.439 -2.484) 10.208 2.227 ( -1.408 3.424 -1.329) 3.934 2.430 ( -4.344 5.499 -3.117) 7.669 2.485 ( 1.002 5.216 7.188) 8.937 2.587 ( 0.758 4.646 -9.425) 10.535 2.613 ( 3.051 3.368 -4.207) 6.193 2.755 ( 2.452 11.515 -3.061) 12.164 2.808 ( 0.959 -1.996 -0.200) 2.224 2.829 ( 0.177 8.593 -0.315) 8.600 2.898 ( 0.759 15.127 1.278) 15.200 3.043 ( -1.787 2.237 -1.109) 3.071 3.134 ( -2.184 0.717 6.709) 7.092 3.174 ( -3.510 -5.024 -0.680) 6.166 3.267 ( 0.263 3.930 1.219) 4.123 3.292 ( 4.482 4.665 0.577) 6.495 3.433 ( -4.071 -5.008 3.692) 7.435 3.524 ( -2.804 -0.949 2.488) 3.867 3.612 ( 0.242 -1.849 6.515) 6.777 3.708 ( 2.226 -0.020 -2.511) 3.356 3.716 ( -3.690 0.111 -7.325) 8.203 3.846 ( 3.579 -0.440 0.969) 3.734 4.008 ( 1.329 -3.333 -3.570) 5.061 4.053 ( -1.469 -0.977 1.517) 2.327 4.110 ( 0.720 5.455 2.381) 5.996 4.227 ( -2.076 0.704 -1.092) 2.449 4.254 ( -0.648 -0.910 -6.200) 6.299 4.293 ( -3.181 -2.203 -4.313) 5.794 4.406 ( -0.151 -1.938 -4.090) 4.528 4.474 ( -2.181 -1.612 -0.137) 2.716 4.487 ( -3.650 -4.129 0.683) 5.553 4.604 ( -0.567 1.633 -3.309) 3.734 4.656 ( 1.874 0.880 2.264) 3.067 4.792 ( 1.334 0.359 0.436) 1.448 4.821 ( 2.386 -0.824 -0.168) 2.530 4.925 ( 3.414 -3.694 3.299) 6.015 4.942 ( -4.208 0.691 1.856) 4.651 5.009 ( -2.363 -5.024 -1.842) 5.850 5.102 ( 6.467 -1.999 -0.043) 6.769 5.151 ( -0.497 -4.306 0.134) 4.337 5.195 ( 6.396 -2.093 1.232) 6.841 5.275 ( -2.209 0.209 3.613) 4.240 5.382 ( -4.638 -4.033 -0.646) 6.180 5.556 ( 1.697 1.710 -3.775) 4.478 5.694 ( 1.433 -2.553 5.452) 6.188 5.790 ( -0.945 -1.046 2.940) 3.260 5.895 ( 1.977 -5.259 6.672) 8.722 6.146 ( -4.897 3.951 -0.185) 6.295 6.235 ( 4.614 0.670 -0.107) 4.664 6.309 ( 2.305 -5.301 -5.694) 8.114 6.379 ( 1.294 -1.568 -4.159) 4.629 6.512 ( -4.832 -7.027 2.963) 9.028 6.631 ( 0.843 -2.705 -0.508) 2.879 6.755 ( -1.427 -3.908 0.331) 4.173 6.846 ( 1.424 -7.705 -2.530) 8.233 6.858 ( 5.014 -1.281 4.481) 6.845 6.918 ( 3.323 -2.557 3.984) 5.784 6.972 ( 1.903 -5.067 -0.915) 5.489 7.049 ( -0.614 3.173 -3.968) 5.117 7.174 ( -2.665 1.452 0.262) 3.046 7.335 ( -5.246 4.899 1.658) 7.367 7.426 ( -2.198 1.115 2.587) 3.573 7.487 ( 5.655 -4.567 -5.474) 9.100 7.640 ( -0.244 4.697 -1.310) 4.882 7.748 ( -0.932 4.229 -1.024) 4.451 7.809 ( 2.409 2.927 0.130) 3.793 7.908 ( 2.046 4.883 -3.697) 6.457 8.053 ( -0.716 -0.613 3.038) 3.181 8.124 ( -3.246 2.801 6.061) 7.424 8.151 ( -0.867 -1.097 2.110) 2.531 8.288 ( -3.544 2.885 0.021) 4.570 8.442 ( 3.953 3.257 -0.392) 5.137 8.505 ( -0.580 -0.525 -2.078) 2.220 8.532 ( 0.209 -0.848 2.965) 3.091 8.728 ( -0.307 -1.481 -2.664) 3.064 12.124 ( -0.200 6.281 0.686) 6.321 12.259 ( 1.257 3.708 -3.845) 5.487 12.681 ( -1.210 -4.727 1.630) 5.144 12.814 ( 1.734 -4.557 -1.612) 5.135 13.913 ( 1.111 0.737 -0.012) 1.334 13.937 ( -0.043 -1.279 -2.976) 3.239 14.091 ( 3.031 -1.066 1.831) 3.698 14.113 ( -1.460 0.382 0.444) 1.573 14.135 ( -0.263 -1.581 -1.339) 2.089 14.166 ( 2.085 -0.439 0.124) 2.134 14.316 ( 2.085 1.235 -1.917) 3.090 14.324 ( 0.702 2.416 -1.346) 2.854 14.369 ( -1.375 0.926 -1.540) 2.263 14.483 ( -4.762 2.739 0.364) 5.506 14.560 ( 3.563 -0.022 4.139) 5.461 14.659 ( -3.152 5.520 -0.842) 6.412 14.783 ( 0.005 3.219 3.752) 4.944 14.851 ( -1.441 7.735 3.068) 8.445 14.885 ( -4.407 2.647 -0.226) 5.146 15.088 ( -4.902 -3.529 -3.708) 7.087 17.680 ( 5.830 12.348 4.952) 14.526 18.161 ( -2.091 -10.201 -7.005) 12.550 18.235 ( 0.930 -2.718 -0.248) 2.883 18.266 ( -3.206 -4.466 0.232) 5.503 18.369 ( 1.386 -9.379 -0.381) 9.489 18.405 ( 0.962 -7.105 -0.607) 7.196 18.589 ( 0.530 -12.552 5.037) 13.536 18.775 ( 1.742 -4.450 -1.125) 4.909 ======================= Grid point 76 (34/80) ======================= q-point: ( 0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 12.140 23.553 2.164) 26.586 1.533 ( 1.166 1.114 -7.214) 7.392 1.712 ( 12.342 16.064 11.754) 23.421 1.803 ( -7.078 8.041 -5.790) 12.177 1.932 ( -11.934 1.027 -12.128) 17.045 1.978 ( -2.136 15.972 11.698) 19.913 2.111 ( 1.245 2.798 -5.236) 6.065 2.152 ( 6.244 5.049 -0.774) 8.067 2.439 ( 4.462 6.071 2.305) 7.879 2.567 ( -3.549 1.000 -4.903) 6.135 2.579 ( 3.968 6.870 -1.431) 8.061 2.605 ( 3.199 6.219 8.539) 11.037 2.670 ( -9.139 10.169 -0.742) 13.693 2.784 ( 0.012 6.310 -0.847) 6.366 2.811 ( -0.212 -0.153 -3.342) 3.352 2.936 ( 0.933 10.877 2.703) 11.247 3.058 ( -4.266 -1.560 -1.591) 4.813 3.072 ( -6.096 -3.353 1.300) 7.078 3.140 ( 0.090 6.355 4.053) 7.538 3.278 ( -0.941 -1.683 0.020) 1.928 3.319 ( -2.886 -1.390 6.305) 7.072 3.394 ( 0.085 6.065 -5.550) 8.222 3.492 ( -0.989 1.663 3.319) 3.842 3.603 ( 2.539 0.615 -3.699) 4.529 3.705 ( -0.650 -2.211 7.320) 7.674 3.814 ( 5.473 -1.652 1.656) 5.952 3.865 ( -6.612 -4.763 -1.231) 8.241 3.970 ( 4.976 3.577 -0.722) 6.170 4.023 ( -2.765 0.609 -10.879) 11.241 4.105 ( -5.536 6.992 -0.004) 8.918 4.161 ( 3.977 -2.641 2.375) 5.332 4.195 ( 1.276 3.053 -4.214) 5.358 4.269 ( -2.796 -1.929 2.155) 4.023 4.349 ( -2.422 1.924 1.857) 3.608 4.398 ( 0.909 0.368 4.353) 4.462 4.509 ( 3.274 -0.889 -4.219) 5.414 4.637 ( 2.112 3.639 0.458) 4.232 4.713 ( 3.133 -3.670 -0.242) 4.831 4.772 ( -4.364 4.121 -2.199) 6.392 4.859 ( -0.941 1.040 -2.955) 3.271 4.893 ( 3.926 2.163 -0.769) 4.548 4.926 ( -2.311 -2.464 0.758) 3.462 4.956 ( -1.397 -9.993 0.395) 10.098 5.149 ( -3.609 -0.028 -0.387) 3.630 5.195 ( -0.322 -4.882 2.380) 5.441 5.278 ( 2.307 -3.053 3.852) 5.430 5.291 ( -1.036 -5.384 -0.528) 5.509 5.379 ( 4.097 -0.412 2.287) 4.710 5.552 ( 1.085 -2.550 -3.294) 4.304 5.635 ( -4.855 -2.654 -0.821) 5.594 5.834 ( -1.099 -3.378 3.454) 4.954 5.927 ( -4.374 -4.221 1.744) 6.324 6.083 ( -2.785 3.759 6.763) 8.224 6.186 ( -2.556 -2.025 -4.420) 5.493 6.326 ( 1.776 -6.069 -1.942) 6.615 6.384 ( 1.319 -1.318 -1.713) 2.532 6.467 ( -3.930 -7.313 1.798) 8.495 6.655 ( 0.471 0.475 -0.188) 0.695 6.761 ( 0.882 -7.938 1.699) 8.166 6.819 ( -3.240 -3.764 -0.697) 5.015 6.894 ( 2.011 -4.056 -8.600) 9.719 6.967 ( 2.481 -0.256 -4.730) 5.347 7.064 ( 7.920 -0.667 2.815) 8.431 7.096 ( 1.854 -0.246 3.884) 4.311 7.163 ( -1.588 -4.599 5.331) 7.218 7.310 ( 3.835 5.259 -4.837) 8.109 7.388 ( -0.929 1.243 1.115) 1.910 7.573 ( 6.317 -3.892 -2.758) 7.916 7.648 ( -2.368 3.031 -1.693) 4.202 7.694 ( 1.137 3.503 2.092) 4.235 7.819 ( 0.106 3.628 -3.052) 4.742 7.979 ( 6.250 6.423 -3.594) 9.656 8.058 ( -2.039 0.287 3.867) 4.381 8.108 ( -5.848 2.780 7.099) 9.608 8.144 ( -1.494 -2.440 2.532) 3.820 8.233 ( -0.867 1.501 0.683) 1.863 8.436 ( -2.938 1.680 -3.014) 4.532 8.513 ( 2.395 2.889 0.764) 3.829 8.571 ( -0.057 -0.371 2.311) 2.342 8.682 ( -1.049 -0.011 -3.218) 3.385 12.120 ( -0.922 5.833 0.212) 5.909 12.224 ( -0.801 6.491 -2.218) 6.906 12.678 ( -0.859 -4.387 1.436) 4.695 12.851 ( 3.473 -5.831 -2.378) 7.192 13.902 ( -0.666 -1.231 -1.290) 1.903 13.948 ( 1.302 0.315 -0.331) 1.380 14.053 ( -3.035 -0.954 -1.830) 3.670 14.129 ( -0.255 0.291 0.888) 0.969 14.139 ( 0.996 -0.925 -0.279) 1.387 14.207 ( -0.129 -0.270 -0.534) 0.612 14.258 ( -3.475 3.115 -2.725) 5.404 14.312 ( 0.024 2.378 -2.295) 3.305 14.351 ( 1.424 -0.586 -1.380) 2.068 14.478 ( 5.649 2.954 3.195) 7.130 14.602 ( -3.081 4.556 1.901) 5.819 14.658 ( -0.044 0.287 3.683) 3.695 14.774 ( -5.304 0.904 1.188) 5.510 14.874 ( 0.846 8.593 2.052) 8.875 14.907 ( -0.668 -0.089 0.710) 0.979 14.925 ( -0.378 1.535 2.574) 3.020 17.874 ( 0.694 0.831 1.105) 1.547 17.936 ( -3.025 -3.911 -3.955) 6.332 18.234 ( 0.997 -0.588 -3.313) 3.509 18.262 ( -5.976 -18.097 -1.797) 19.143 18.330 ( 4.003 -0.835 2.908) 5.018 18.493 ( 3.609 -5.342 0.229) 6.451 18.607 ( -2.923 -8.522 3.728) 9.750 18.794 ( 0.956 -3.865 -2.201) 4.549 ======================= Grid point 77 (35/80) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 1.926 2.889 -11.350) 11.870 1.538 ( 2.349 8.518 -8.918) 12.554 1.588 ( 7.830 9.525 -7.104) 14.231 1.804 ( 0.448 2.363 2.191) 3.254 1.943 ( -3.629 16.455 13.899) 21.844 1.955 ( -3.072 4.620 -3.098) 6.354 2.134 ( 2.691 7.493 -1.716) 8.144 2.304 ( 4.617 0.665 4.791) 6.687 2.400 ( -6.436 -3.233 -2.086) 7.498 2.484 ( -7.318 11.799 2.908) 14.185 2.527 ( 1.615 4.030 0.612) 4.385 2.639 ( 1.685 -0.322 -10.929) 11.063 2.723 ( -2.754 6.778 2.161) 7.629 2.767 ( -3.134 -0.550 3.392) 4.651 2.855 ( 7.972 5.394 5.023) 10.857 2.959 ( -2.740 6.354 5.738) 8.989 2.965 ( 1.995 0.042 -1.913) 2.765 3.038 ( -2.580 -0.570 3.315) 4.239 3.133 ( -2.159 6.484 0.606) 6.861 3.206 ( -4.303 1.032 -1.598) 4.704 3.320 ( -0.072 5.155 -0.504) 5.180 3.362 ( -1.733 2.625 1.263) 3.390 3.577 ( 2.424 -4.585 8.323) 9.807 3.661 ( -0.583 -1.301 -2.244) 2.659 3.675 ( -1.311 3.790 -0.380) 4.029 3.810 ( -1.871 -5.251 0.380) 5.588 3.884 ( -4.880 4.005 -5.551) 8.407 3.905 ( 5.721 5.246 0.067) 7.762 3.967 ( 1.362 3.577 -2.450) 4.545 4.066 ( 1.226 5.800 0.004) 5.928 4.119 ( -3.527 4.215 -2.120) 5.891 4.214 ( 3.571 1.850 -0.615) 4.069 4.331 ( 4.235 1.218 4.021) 5.965 4.433 ( -1.763 0.276 -0.975) 2.034 4.487 ( 1.122 1.758 1.920) 2.835 4.529 ( 6.840 1.593 3.107) 7.679 4.645 ( -2.126 0.173 1.005) 2.358 4.678 ( 1.689 5.961 1.859) 6.468 4.759 ( -2.067 3.215 -3.096) 4.919 4.802 ( 0.235 -5.327 -3.290) 6.266 4.916 ( -0.879 -1.971 0.234) 2.171 4.954 ( -0.774 -5.616 2.202) 6.082 4.995 ( 3.701 -1.990 4.633) 6.255 5.034 ( -4.714 -0.675 -3.170) 5.721 5.091 ( -5.254 2.948 0.893) 6.090 5.269 ( -5.561 -2.544 -0.109) 6.116 5.405 ( 3.096 -4.951 -0.922) 5.911 5.419 ( 4.617 -3.365 1.218) 5.841 5.464 ( -2.579 -5.400 -4.676) 7.595 5.595 ( -2.115 -4.704 -1.770) 5.453 5.806 ( -1.904 -2.266 -0.517) 3.005 5.890 ( 0.025 -7.028 3.331) 7.777 6.108 ( -2.433 0.905 1.732) 3.120 6.169 ( 1.765 1.575 2.884) 3.730 6.283 ( -2.579 -0.629 -5.775) 6.356 6.364 ( 0.356 -2.898 -1.962) 3.518 6.450 ( -1.418 -5.936 5.336) 8.107 6.634 ( -1.643 -1.682 -1.496) 2.787 6.743 ( -4.003 -2.953 2.154) 5.421 6.789 ( -0.025 -9.935 0.430) 9.944 6.858 ( 2.856 -3.689 -8.052) 9.306 6.966 ( 1.811 -2.744 -4.081) 5.240 7.039 ( -3.151 -4.717 -5.373) 7.814 7.197 ( 2.087 1.939 3.594) 4.586 7.289 ( 4.673 2.849 -2.230) 5.910 7.298 ( 2.627 0.348 3.201) 4.155 7.470 ( 4.381 -8.466 3.713) 10.230 7.606 ( 1.540 5.584 -2.022) 6.135 7.626 ( 2.791 -2.459 -3.984) 5.450 7.781 ( 1.811 2.984 2.502) 4.294 7.783 ( 1.106 3.407 -0.546) 3.623 7.976 ( -1.988 3.330 -2.873) 4.826 8.048 ( -5.232 0.819 3.961) 6.613 8.058 ( -3.836 0.998 3.915) 5.571 8.165 ( 2.026 0.711 -0.947) 2.346 8.284 ( 2.503 3.288 3.798) 5.613 8.367 ( -1.481 5.205 -2.094) 5.802 8.516 ( -1.330 2.731 -2.511) 3.941 8.574 ( -0.638 -0.537 1.974) 2.143 8.655 ( 0.102 2.553 -0.749) 2.662 12.101 ( -0.788 5.688 -0.026) 5.742 12.202 ( -0.295 7.513 -0.810) 7.563 12.679 ( -0.673 -4.387 1.766) 4.776 12.880 ( 2.434 -6.394 -2.601) 7.319 13.883 ( -0.335 -1.080 -0.101) 1.135 13.938 ( -1.649 -1.032 0.260) 1.963 14.021 ( 2.792 -2.210 -3.746) 5.168 14.129 ( -0.107 0.588 -0.311) 0.674 14.151 ( -0.321 0.376 0.875) 1.005 14.168 ( -0.600 -1.104 0.046) 1.257 14.247 ( 1.884 1.676 -2.807) 3.773 14.294 ( -0.118 1.475 -1.318) 1.981 14.392 ( 3.227 -1.482 1.128) 3.726 14.488 ( -6.599 1.652 -2.720) 7.326 14.590 ( 0.819 1.804 2.291) 3.029 14.649 ( -2.208 3.424 -0.791) 4.151 14.724 ( -1.158 2.582 3.662) 4.629 14.848 ( -2.649 0.633 3.952) 4.800 14.928 ( 0.429 6.773 2.424) 7.206 15.061 ( 2.911 0.525 4.470) 5.360 17.668 ( -4.715 -14.010 -4.099) 15.339 18.082 ( 3.732 -0.651 1.547) 4.092 18.145 ( -0.953 -12.376 0.777) 12.436 18.261 ( 3.633 -1.575 -2.767) 4.831 18.359 ( -3.962 0.580 0.609) 4.050 18.568 ( -3.439 -5.552 3.333) 7.332 18.599 ( 6.060 -1.828 2.029) 6.647 18.728 ( -3.888 -1.652 -5.978) 7.320 ======================= Grid point 78 (36/80) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -2.946 16.619 -9.779) 19.507 1.596 ( 14.752 2.394 5.324) 15.865 1.655 ( 10.772 -3.672 -4.608) 12.278 1.869 ( -0.339 4.876 7.419) 8.884 1.894 ( -3.665 9.495 3.099) 10.639 2.050 ( 4.943 10.875 3.932) 12.576 2.127 ( 1.265 0.728 1.480) 2.078 2.232 ( -9.707 4.967 -0.112) 10.904 2.365 ( 0.050 -0.449 -1.923) 1.975 2.471 ( 0.557 -1.200 -4.441) 4.634 2.525 ( -2.259 5.019 2.166) 5.915 2.562 ( 0.924 1.311 -2.620) 3.072 2.712 ( -0.912 10.153 2.323) 10.455 2.773 ( 2.532 3.811 -4.069) 6.122 2.857 ( -3.634 6.193 -2.960) 7.767 2.927 ( -3.647 2.337 -2.716) 5.112 2.956 ( -5.089 -2.254 4.943) 7.444 3.038 ( -0.388 4.142 -0.413) 4.181 3.108 ( -2.679 0.812 7.224) 7.747 3.250 ( 0.565 -0.555 -3.199) 3.296 3.299 ( 1.229 2.713 3.341) 4.476 3.341 ( 1.701 4.079 1.137) 4.564 3.527 ( -5.260 -1.570 -0.163) 5.492 3.622 ( -2.282 2.907 -3.743) 5.260 3.699 ( 1.432 -0.110 -2.627) 2.994 3.754 ( 2.892 -0.435 2.976) 4.173 3.893 ( 1.565 4.386 1.519) 4.899 3.957 ( -3.236 3.517 -3.223) 5.765 4.044 ( 2.978 9.826 1.068) 10.323 4.072 ( 6.172 2.054 4.361) 7.831 4.146 ( 0.838 5.179 5.105) 7.321 4.263 ( 1.416 1.843 -0.478) 2.373 4.352 ( -2.425 4.079 -5.924) 7.590 4.416 ( 0.242 -0.238 3.791) 3.806 4.450 ( -2.228 -1.564 -0.653) 2.800 4.568 ( -4.545 0.416 -3.312) 5.639 4.622 ( -0.789 3.020 0.807) 3.224 4.703 ( 1.246 -0.714 -1.250) 1.904 4.733 ( 1.150 0.015 -1.239) 1.690 4.830 ( -1.697 1.579 -3.462) 4.166 4.913 ( -1.817 -2.552 1.814) 3.620 4.927 ( 3.551 0.597 3.972) 5.361 5.009 ( 6.353 -3.295 3.473) 7.955 5.055 ( -4.596 -2.565 2.789) 5.956 5.096 ( 0.838 -0.322 3.343) 3.461 5.227 ( 1.991 0.622 -0.566) 2.161 5.284 ( -4.465 -1.952 -4.749) 6.805 5.454 ( -1.840 -7.052 -5.355) 9.044 5.501 ( 1.213 -3.023 2.525) 4.121 5.575 ( 3.759 -1.404 0.676) 4.069 5.786 ( -0.988 -0.898 -0.267) 1.361 5.939 ( -0.860 -6.036 2.445) 6.569 6.051 ( -2.194 3.490 -2.146) 4.647 6.160 ( -0.800 -2.898 0.682) 3.083 6.269 ( 2.034 -0.708 -2.194) 3.074 6.351 ( 0.344 -5.458 0.520) 5.493 6.510 ( 0.503 -2.820 6.984) 7.548 6.586 ( 0.045 -3.771 -3.348) 5.043 6.717 ( -1.734 -7.542 -1.377) 7.860 6.760 ( -1.735 -8.456 -0.117) 8.633 6.841 ( 3.275 -0.476 -6.591) 7.375 6.879 ( -1.029 -4.065 -7.989) 9.023 7.018 ( 4.524 -3.660 -4.409) 7.300 7.213 ( -1.498 -0.834 -2.442) 2.984 7.312 ( 0.189 3.323 4.142) 5.313 7.420 ( 2.099 0.953 5.368) 5.842 7.559 ( -1.172 -9.540 4.799) 10.743 7.585 ( -0.126 -0.498 -1.671) 1.748 7.664 ( 2.378 2.319 -1.225) 3.540 7.794 ( 1.935 3.241 1.243) 3.974 7.857 ( 1.106 1.383 1.985) 2.661 7.907 ( -1.831 3.402 -3.582) 5.269 7.964 ( -3.426 2.062 -1.525) 4.280 8.029 ( -2.073 1.241 2.618) 3.563 8.178 ( 0.899 1.065 -1.314) 1.916 8.306 ( -4.667 4.965 -0.692) 6.849 8.353 ( 2.100 4.937 1.251) 5.509 8.491 ( 1.751 4.190 -1.990) 4.958 8.579 ( -1.409 -0.045 2.017) 2.461 8.663 ( 1.349 2.650 0.149) 2.977 12.102 ( 0.461 5.611 0.820) 5.689 12.188 ( -0.037 7.434 -1.303) 7.547 12.687 ( -0.717 -4.765 2.398) 5.382 12.894 ( 1.691 -6.924 -2.348) 7.504 13.900 ( 1.384 -1.552 1.597) 2.622 13.921 ( -0.524 -1.486 -0.132) 1.581 14.062 ( 4.325 -1.635 -1.145) 4.763 14.118 ( -0.604 1.038 -1.237) 1.724 14.141 ( -1.693 -0.155 0.824) 1.889 14.162 ( -0.142 -1.180 -0.792) 1.428 14.255 ( 1.929 1.847 -2.105) 3.401 14.294 ( 1.639 0.141 -0.610) 1.755 14.362 ( -2.416 1.879 -2.831) 4.169 14.496 ( 3.984 -1.473 3.904) 5.769 14.572 ( -2.419 3.358 -2.956) 5.085 14.640 ( 0.440 3.317 3.307) 4.705 14.708 ( -2.944 2.193 -0.792) 3.756 14.835 ( -3.625 0.560 0.771) 3.748 14.905 ( -2.072 3.099 2.908) 4.728 15.091 ( -2.772 1.909 1.502) 3.686 17.708 ( 6.774 -13.972 6.608) 16.875 18.110 ( 1.720 -17.768 3.411) 18.174 18.170 ( -4.801 5.381 -4.555) 8.529 18.267 ( -0.892 1.016 0.757) 1.549 18.325 ( 5.166 -1.883 -1.526) 5.706 18.526 ( -4.001 -4.566 2.681) 6.636 18.558 ( -4.938 -2.322 -7.560) 9.324 18.730 ( 4.855 -0.691 -0.103) 4.905 ======================= Grid point 79 (37/80) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -5.742 19.716 -12.019) 23.794 1.644 ( -20.675 13.225 -9.728) 26.401 1.759 ( 9.162 -2.730 -2.337) 9.842 1.910 ( -3.361 7.118 7.378) 10.789 1.967 ( -13.899 17.860 6.275) 23.485 2.013 ( 6.123 1.540 11.063) 12.738 2.209 ( 2.181 0.714 -10.717) 10.960 2.270 ( 6.503 4.236 0.127) 7.762 2.328 ( 9.926 1.353 -1.236) 10.094 2.395 ( 2.237 4.214 -2.995) 5.634 2.556 ( 2.820 -0.207 4.049) 4.939 2.634 ( -6.110 5.692 5.534) 10.018 2.679 ( 0.831 1.723 -1.911) 2.704 2.752 ( 3.412 4.430 -2.503) 6.126 2.766 ( -0.762 7.669 -2.733) 8.177 2.892 ( 3.152 7.620 -4.776) 9.529 2.968 ( 0.205 -0.926 6.917) 6.982 3.052 ( 1.840 -2.529 0.004) 3.128 3.123 ( -1.897 6.367 3.846) 7.676 3.201 ( 1.032 -3.145 2.350) 4.059 3.367 ( -3.558 5.899 2.199) 7.232 3.423 ( 5.774 0.063 -2.502) 6.293 3.487 ( -1.530 3.679 4.593) 6.080 3.613 ( 1.016 -0.193 1.677) 1.970 3.720 ( -1.797 0.446 -3.122) 3.630 3.736 ( 2.812 -0.018 2.156) 3.543 3.857 ( -1.206 -0.289 -1.859) 2.235 4.031 ( -1.878 6.484 1.132) 6.845 4.048 ( 6.029 5.521 1.398) 8.294 4.128 ( -4.451 0.708 -5.371) 7.012 4.167 ( -2.145 4.342 -3.755) 6.128 4.252 ( 2.071 -2.918 5.533) 6.589 4.308 ( 1.241 3.469 3.269) 4.926 4.388 ( -5.118 -3.001 5.096) 7.821 4.455 ( -0.093 2.093 3.116) 3.755 4.528 ( -0.466 -2.744 -0.145) 2.787 4.618 ( 3.115 -4.682 -5.150) 7.625 4.707 ( 0.497 -0.293 -3.464) 3.512 4.756 ( 2.393 3.658 2.051) 4.828 4.810 ( 1.900 0.804 1.195) 2.384 4.898 ( 0.216 0.022 -1.028) 1.050 4.958 ( -1.353 -1.308 -5.438) 5.755 4.980 ( -1.584 -2.740 -0.947) 3.303 5.059 ( -4.474 -3.413 -1.788) 5.905 5.171 ( 1.708 -0.946 -0.531) 2.024 5.250 ( 0.707 -0.387 3.939) 4.021 5.333 ( 3.276 2.824 7.712) 8.842 5.372 ( 3.552 -1.232 -2.413) 4.468 5.520 ( -4.068 -7.003 2.065) 8.358 5.603 ( -0.780 -1.691 -3.495) 3.960 5.771 ( 1.816 2.975 -0.856) 3.589 5.822 ( -4.701 3.679 -5.679) 8.240 6.044 ( -2.339 1.476 5.024) 5.735 6.260 ( 2.719 -2.458 2.919) 4.685 6.271 ( 3.345 -7.202 -2.016) 8.193 6.388 ( 4.847 -6.597 0.840) 8.229 6.498 ( -4.023 -3.910 -1.107) 5.718 6.606 ( 1.738 -4.216 1.108) 4.693 6.640 ( 1.487 -8.089 -5.893) 10.118 6.809 ( 4.604 -1.553 -3.315) 5.882 6.839 ( 1.808 -5.323 -4.081) 6.947 6.863 ( 3.285 -0.860 1.866) 3.874 7.013 ( -1.322 0.223 -7.770) 7.885 7.151 ( -0.567 -5.072 -1.041) 5.208 7.323 ( -6.002 1.594 6.566) 9.038 7.439 ( -2.645 -2.189 -0.577) 3.481 7.537 ( -2.092 -1.151 2.457) 3.426 7.609 ( -0.710 0.821 3.901) 4.049 7.627 ( -5.301 -2.503 -0.924) 5.935 7.777 ( -3.189 6.334 -2.932) 7.674 7.806 ( -0.579 2.389 -3.486) 4.265 7.939 ( 3.886 1.933 3.221) 5.405 7.988 ( 4.954 -1.900 -2.210) 5.748 8.044 ( 1.331 4.026 1.876) 4.637 8.153 ( -5.164 3.931 0.068) 6.490 8.230 ( -0.491 3.270 1.921) 3.824 8.412 ( 2.969 2.237 1.208) 3.908 8.493 ( 0.402 4.411 -3.184) 5.455 8.560 ( -2.102 0.449 1.247) 2.485 8.704 ( 2.367 0.787 0.340) 2.517 12.121 ( 0.180 5.789 0.779) 5.844 12.188 ( 2.170 6.708 -1.516) 7.211 12.695 ( -1.184 -5.171 2.513) 5.870 12.885 ( -0.059 -7.166 -3.201) 7.849 13.906 ( -0.464 -0.151 -0.923) 1.044 13.952 ( 2.420 -1.741 1.109) 3.181 14.069 ( -2.468 -0.659 -2.088) 3.299 14.127 ( -0.297 -0.184 0.184) 0.395 14.133 ( 2.529 -0.737 -0.218) 2.643 14.155 ( 0.362 -0.016 -0.885) 0.956 14.285 ( 2.401 2.673 -1.322) 3.829 14.316 ( 1.662 1.679 -0.404) 2.397 14.376 ( 3.129 1.873 3.601) 5.125 14.444 ( -3.113 1.972 -6.871) 7.797 14.597 ( -2.293 1.033 -0.725) 2.617 14.610 ( 0.048 0.811 5.006) 5.071 14.736 ( 3.351 0.545 3.804) 5.099 14.760 ( -1.280 3.845 -2.718) 4.879 14.972 ( 0.823 -1.080 6.888) 7.021 15.019 ( -4.043 4.009 2.383) 6.172 17.894 ( -7.232 5.132 -3.351) 9.480 17.975 ( 3.833 -7.465 3.868) 9.240 18.214 ( 4.182 -10.984 2.380) 11.992 18.291 ( 1.478 -5.435 1.256) 5.770 18.396 ( 2.808 -5.073 -1.737) 6.053 18.431 ( -0.336 -4.236 -5.855) 7.234 18.495 ( -3.038 -4.523 2.980) 6.210 18.770 ( 1.655 -2.405 -3.117) 4.271 ======================= Grid point 80 (38/80) ======================= q-point: (-0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -13.640 18.497 -4.564) 23.431 1.194 ( -0.890 28.573 -14.673) 32.132 1.823 ( -4.293 10.735 2.801) 11.896 1.851 ( -6.534 15.906 9.305) 19.552 1.939 ( 0.990 3.849 2.248) 4.566 2.084 ( -0.270 4.898 -2.028) 5.308 2.195 ( 2.426 1.749 -0.646) 3.060 2.265 ( -1.533 0.915 -5.582) 5.861 2.391 ( 4.503 7.938 3.024) 9.614 2.503 ( -5.828 4.209 4.191) 8.321 2.597 ( 0.580 6.040 -0.726) 6.111 2.630 ( 5.430 3.705 -4.741) 8.105 2.699 ( 7.089 9.092 -0.954) 11.568 2.743 ( 1.266 0.666 -1.111) 1.812 2.837 ( 2.062 7.176 -2.893) 8.007 2.904 ( 1.713 10.085 -3.224) 10.725 3.081 ( 0.827 -8.249 3.153) 8.870 3.090 ( 0.620 1.565 6.224) 6.448 3.144 ( -0.605 6.781 7.066) 9.812 3.260 ( 0.801 1.731 -2.175) 2.893 3.289 ( -1.157 -1.674 -1.349) 2.442 3.427 ( -4.362 4.026 5.973) 8.421 3.504 ( 2.253 4.461 -1.868) 5.335 3.614 ( -3.474 0.182 3.017) 4.605 3.745 ( 4.009 -2.248 3.006) 5.492 3.779 ( -3.131 -1.230 -4.136) 5.331 3.832 ( 0.269 -3.613 -1.671) 3.990 4.016 ( 0.649 3.146 -1.396) 3.502 4.040 ( 0.393 1.332 -4.943) 5.134 4.068 ( 1.350 1.747 3.083) 3.792 4.224 ( 4.530 -2.075 1.646) 5.247 4.269 ( -1.223 -1.827 -0.985) 2.409 4.348 ( 0.422 -2.173 0.952) 2.409 4.407 ( 2.219 -1.088 1.142) 2.723 4.477 ( -1.374 1.402 -1.851) 2.698 4.547 ( 0.982 -2.994 2.710) 4.156 4.617 ( -1.373 -5.931 1.358) 6.237 4.685 ( -0.046 -0.483 -4.337) 4.364 4.764 ( -0.786 1.523 4.834) 5.129 4.830 ( -0.883 0.512 -1.659) 1.948 4.871 ( -0.508 -3.121 -7.912) 8.521 4.911 ( 3.395 -0.562 0.144) 3.444 5.006 ( 0.587 0.820 2.101) 2.331 5.038 ( 3.542 -1.794 4.764) 6.202 5.116 ( -3.859 -2.131 -4.046) 5.983 5.248 ( -0.657 2.492 1.101) 2.802 5.319 ( -4.923 -2.295 -3.046) 6.227 5.440 ( -3.663 -7.496 1.343) 8.450 5.537 ( 4.802 1.405 0.448) 5.023 5.565 ( 3.068 -0.642 0.162) 3.139 5.772 ( 0.121 4.008 4.435) 5.979 5.819 ( 2.037 0.838 0.278) 2.221 6.095 ( 3.666 2.017 4.742) 6.324 6.246 ( -1.157 -2.283 -6.343) 6.839 6.291 ( 2.672 -4.335 -1.545) 5.321 6.410 ( -0.446 -1.925 -3.257) 3.810 6.544 ( -0.283 -7.892 4.870) 9.278 6.644 ( 1.406 -6.085 -2.220) 6.629 6.702 ( 7.502 -2.437 5.428) 9.575 6.821 ( 0.277 -2.170 -3.873) 4.448 6.832 ( 1.657 -3.818 -3.268) 5.292 6.852 ( -3.621 -1.091 -4.532) 5.903 6.952 ( 0.508 -2.461 3.114) 4.001 7.140 ( -1.616 -3.680 -3.347) 5.230 7.242 ( -5.324 -0.428 2.137) 5.753 7.394 ( -2.917 -0.960 1.564) 3.446 7.444 ( -6.907 5.887 4.090) 9.954 7.523 ( -1.874 -6.390 -6.106) 9.035 7.668 ( 1.116 3.490 3.114) 4.808 7.714 ( 1.727 8.015 -6.557) 10.498 7.793 ( -0.155 1.591 1.695) 2.330 7.969 ( -2.713 2.288 -4.492) 5.725 8.020 ( 1.301 -0.364 2.649) 2.973 8.107 ( -0.596 4.205 5.897) 7.267 8.118 ( 1.661 1.295 1.697) 2.705 8.279 ( 1.734 3.287 3.472) 5.086 8.443 ( -0.753 2.851 -4.031) 4.995 8.477 ( 2.173 0.529 0.713) 2.347 8.538 ( -1.216 -0.531 0.812) 1.556 8.737 ( 1.312 -0.924 -1.040) 1.913 12.122 ( -0.219 6.299 0.311) 6.310 12.235 ( 4.053 4.443 -2.244) 6.419 12.691 ( -1.591 -5.216 2.001) 5.808 12.836 ( -1.259 -5.639 -2.944) 6.484 13.897 ( 0.756 0.662 -0.951) 1.383 13.991 ( -1.650 -0.364 -3.501) 3.887 14.012 ( 2.669 -1.959 0.620) 3.368 14.125 ( -0.634 0.235 0.557) 0.876 14.143 ( 0.745 -1.511 -0.304) 1.711 14.158 ( 0.309 -0.150 -1.803) 1.836 14.297 ( 1.927 2.743 -2.502) 4.183 14.337 ( -0.163 0.051 -2.664) 2.670 14.413 ( 3.421 2.739 3.023) 5.324 14.431 ( -1.935 -0.066 0.069) 1.937 14.532 ( -0.653 3.156 0.538) 3.267 14.719 ( -1.313 3.975 -1.296) 4.383 14.740 ( 2.325 2.018 4.962) 5.839 14.834 ( 1.242 1.582 6.842) 7.132 14.922 ( -3.028 5.825 1.887) 6.831 15.112 ( 2.296 -3.935 3.195) 5.564 17.667 ( -5.573 12.567 -4.031) 14.326 18.132 ( 5.098 -9.105 1.231) 10.508 18.225 ( 0.287 -1.023 -1.813) 2.101 18.339 ( -0.851 -5.629 -5.295) 7.775 18.381 ( -1.808 -12.919 2.914) 13.366 18.422 ( -0.297 -3.497 0.848) 3.610 18.504 ( 2.487 -11.737 2.867) 12.336 18.763 ( 1.233 -3.772 -2.244) 4.559 ======================= Grid point 81 (39/80) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 9.234 20.610 9.499) 24.501 1.673 ( -5.086 1.073 -8.212) 9.719 1.786 ( 12.253 21.774 -7.326) 26.037 2.040 ( -0.413 -4.254 4.315) 6.074 2.083 ( 1.756 3.753 -1.575) 4.433 2.144 ( -0.422 6.036 -2.644) 6.603 2.276 ( 2.430 5.115 3.525) 6.670 2.442 ( -1.670 4.915 6.306) 8.168 2.470 ( -11.266 8.579 0.496) 14.169 2.558 ( 1.697 -2.447 -0.633) 3.044 2.651 ( -3.808 0.635 -4.136) 5.657 2.656 ( 0.115 3.740 -3.550) 5.158 2.820 ( 6.988 2.702 1.901) 7.729 2.842 ( -2.773 -12.039 5.181) 13.397 2.919 ( 0.318 3.599 0.556) 3.655 3.073 ( -0.665 11.418 -4.590) 12.324 3.103 ( -6.912 3.232 -0.598) 7.653 3.142 ( -3.601 -1.228 5.758) 6.901 3.187 ( 0.489 11.989 0.772) 12.024 3.336 ( 1.403 0.275 -3.820) 4.079 3.387 ( 4.564 4.232 5.348) 8.207 3.426 ( -5.761 1.999 6.382) 8.827 3.545 ( -2.164 3.773 1.995) 4.785 3.622 ( -0.218 1.878 5.554) 5.867 3.713 ( 0.483 0.299 -3.323) 3.372 3.744 ( -1.444 3.382 -3.935) 5.385 3.868 ( 2.658 4.074 3.274) 5.863 3.921 ( -1.833 -5.009 -2.085) 5.727 4.031 ( -2.973 -3.659 -3.124) 5.655 4.119 ( 0.803 -6.945 -5.133) 8.674 4.137 ( 2.727 -5.174 0.093) 5.849 4.265 ( 4.942 4.931 -1.839) 7.219 4.299 ( 0.663 -0.659 -1.135) 1.470 4.386 ( -0.250 0.629 -0.862) 1.096 4.451 ( -2.154 4.235 -0.729) 4.807 4.563 ( -3.153 4.345 -3.611) 6.469 4.641 ( -0.246 2.341 1.607) 2.850 4.695 ( -1.168 2.182 1.544) 2.917 4.774 ( 2.465 -3.414 3.410) 5.419 4.791 ( 2.111 -2.477 -0.761) 3.342 4.859 ( 1.723 -0.819 -2.791) 3.381 4.940 ( -1.255 -1.033 1.763) 2.398 4.980 ( -0.927 -0.592 -0.875) 1.406 5.051 ( -2.098 -1.683 1.933) 3.312 5.115 ( 3.706 1.215 0.335) 3.915 5.181 ( 0.930 2.976 -1.669) 3.536 5.258 ( -1.872 -2.295 1.647) 3.389 5.295 ( 1.752 -2.598 0.288) 3.147 5.564 ( 3.238 -4.823 -2.481) 6.317 5.614 ( -1.440 -0.659 0.318) 1.615 5.698 ( -0.565 -8.059 -4.827) 9.411 5.849 ( 0.395 -2.951 -0.357) 2.998 6.100 ( 0.315 -7.004 0.973) 7.078 6.173 ( 2.267 -8.609 -3.198) 9.460 6.258 ( -2.709 3.043 2.955) 5.033 6.369 ( -5.804 -2.475 3.559) 7.244 6.477 ( 0.114 3.847 -4.610) 6.005 6.588 ( 1.123 -2.498 0.614) 2.807 6.719 ( -0.335 0.763 -0.716) 1.098 6.729 ( 2.942 -2.990 -1.624) 4.498 6.824 ( 5.135 -3.205 4.235) 7.388 6.857 ( 2.715 -2.181 1.052) 3.638 6.908 ( 0.588 -1.434 2.495) 2.937 7.079 ( 0.561 -0.313 -1.120) 1.291 7.172 ( -5.800 -1.141 1.392) 6.073 7.342 ( 2.739 -7.640 -3.028) 8.662 7.445 ( 1.807 3.747 -2.475) 4.840 7.498 ( 0.167 4.586 1.981) 4.999 7.746 ( -2.136 6.194 -0.746) 6.595 7.825 ( -5.078 4.092 3.464) 7.385 7.895 ( 2.915 4.367 -1.053) 5.355 7.992 ( 3.942 3.018 -0.737) 5.019 8.051 ( 0.293 1.163 0.754) 1.417 8.139 ( -2.324 0.952 -0.394) 2.542 8.157 ( -3.270 0.090 4.971) 5.951 8.328 ( -3.954 0.755 -0.187) 4.030 8.455 ( 1.877 -1.060 0.885) 2.330 8.483 ( -0.101 -1.653 -1.727) 2.393 8.561 ( 2.824 2.877 0.630) 4.081 8.700 ( 0.259 -1.521 -2.843) 3.235 12.252 ( -0.483 6.890 0.578) 6.931 12.332 ( 1.302 4.068 -1.604) 4.563 12.589 ( -0.797 -4.653 1.610) 4.988 12.700 ( 0.941 -7.058 -1.168) 7.216 13.921 ( 0.867 -0.263 -1.466) 1.723 13.926 ( -0.526 0.310 -0.628) 0.876 14.066 ( 1.033 -0.737 1.823) 2.221 14.108 ( -0.763 -1.349 -1.022) 1.857 14.154 ( 0.510 2.765 1.015) 2.989 14.171 ( 1.573 1.022 1.155) 2.203 14.321 ( 0.980 0.437 -0.465) 1.170 14.360 ( -1.287 -0.198 -1.131) 1.725 14.415 ( 2.716 3.636 -0.784) 4.605 14.524 ( 1.191 0.062 5.153) 5.289 14.572 ( -2.056 2.954 -2.830) 4.579 14.731 ( -2.259 1.710 -0.261) 2.845 14.838 ( -0.866 2.208 1.093) 2.612 14.907 ( -0.197 2.104 0.796) 2.258 14.983 ( -0.951 3.718 0.117) 3.839 15.010 ( -4.057 -3.993 -2.386) 6.173 17.901 ( -6.642 -6.105 0.264) 9.025 17.950 ( 4.908 6.422 -0.509) 8.099 18.048 ( -6.630 -14.470 3.591) 16.317 18.227 ( 2.196 -1.026 -0.977) 2.614 18.246 ( 0.899 -1.399 -2.198) 2.756 18.309 ( 3.478 -3.122 -1.944) 5.062 18.419 ( 1.366 -6.031 4.665) 7.746 18.664 ( 2.634 -7.193 -2.680) 8.116 ======================= Grid point 82 (40/80) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -6.137 -4.013 -9.356) 11.887 1.797 ( 12.196 19.139 2.395) 22.821 1.939 ( -9.245 2.040 -5.426) 10.912 1.954 ( -6.989 8.262 -5.020) 11.929 2.095 ( 8.096 14.731 6.642) 18.073 2.118 ( -6.857 2.055 -2.506) 7.584 2.178 ( 0.914 3.336 -0.076) 3.460 2.341 ( 0.311 7.377 -3.154) 8.029 2.445 ( -7.524 -6.225 1.708) 9.913 2.564 ( -0.704 3.481 0.683) 3.617 2.633 ( 3.298 -2.179 -1.172) 4.123 2.691 ( 4.266 0.360 4.715) 6.369 2.731 ( -13.884 -12.362 6.253) 19.613 2.859 ( -4.127 6.928 3.342) 8.730 2.882 ( -1.052 5.353 -4.007) 6.768 2.988 ( -2.269 3.901 -0.556) 4.547 3.063 ( -3.017 6.540 0.370) 7.211 3.151 ( 2.160 0.770 4.860) 5.374 3.195 ( -1.086 8.548 4.839) 9.883 3.334 ( 2.065 2.006 -2.155) 3.596 3.380 ( -4.836 6.958 3.628) 9.217 3.502 ( 1.807 2.703 0.138) 3.254 3.570 ( 0.535 5.461 1.990) 5.837 3.654 ( -0.730 0.498 -2.527) 2.677 3.673 ( -0.569 2.025 4.075) 4.586 3.755 ( 0.849 -0.534 3.170) 3.325 3.813 ( -0.833 -1.713 -1.321) 2.318 4.024 ( 8.244 1.952 1.155) 8.550 4.052 ( 2.261 -0.605 -3.327) 4.068 4.089 ( 3.339 -1.327 -6.280) 7.235 4.173 ( 3.263 0.956 3.058) 4.573 4.275 ( 0.486 3.580 -7.630) 8.442 4.334 ( 0.417 4.381 2.244) 4.940 4.392 ( 4.067 -0.583 3.308) 5.274 4.412 ( 0.693 4.365 -2.947) 5.312 4.501 ( 0.103 1.193 -2.023) 2.350 4.664 ( -1.826 0.379 2.227) 2.905 4.712 ( 2.841 3.004 1.338) 4.346 4.777 ( 1.376 -4.556 -4.292) 6.409 4.823 ( -0.350 -3.119 2.128) 3.792 4.884 ( -0.817 -1.524 -0.707) 1.868 4.928 ( -0.589 4.312 0.023) 4.352 4.960 ( -2.803 5.356 -1.502) 6.229 5.060 ( 2.527 -6.808 3.343) 7.994 5.138 ( 3.108 -3.515 -3.730) 5.994 5.152 ( -4.718 -3.167 3.738) 6.802 5.234 ( -2.310 -1.698 -1.349) 3.169 5.362 ( 2.082 -1.850 -1.863) 3.351 5.518 ( 0.157 -1.364 -5.275) 5.451 5.575 ( -5.726 -4.184 3.673) 7.986 5.725 ( 4.679 -6.676 -0.392) 8.162 5.808 ( -2.820 -7.421 -4.912) 9.336 6.114 ( 1.599 -2.420 2.394) 3.761 6.139 ( -3.309 -2.648 -1.946) 4.663 6.228 ( -1.253 -3.524 -0.202) 3.746 6.322 ( -3.802 -4.821 6.125) 8.672 6.442 ( 0.140 3.973 -1.794) 4.362 6.605 ( -1.227 -7.097 2.046) 7.487 6.706 ( -0.772 4.079 0.340) 4.166 6.752 ( -0.195 -1.697 -1.683) 2.398 6.854 ( -0.093 -0.116 -8.344) 8.345 6.928 ( 3.425 -2.636 0.689) 4.376 7.023 ( -2.384 -4.211 3.384) 5.905 7.046 ( 5.092 -1.183 3.582) 6.337 7.151 ( 1.292 -0.603 3.426) 3.711 7.337 ( 0.245 -7.715 -4.610) 8.991 7.436 ( 0.875 7.486 -4.244) 8.650 7.575 ( 4.273 4.602 2.917) 6.924 7.730 ( -0.595 4.481 3.394) 5.653 7.762 ( -2.433 3.497 -1.241) 4.437 7.887 ( 0.482 3.280 -3.802) 5.044 8.043 ( -1.399 -1.089 1.769) 2.505 8.074 ( -4.058 -2.366 0.945) 4.791 8.125 ( -1.537 2.379 2.714) 3.923 8.131 ( 2.419 2.797 3.026) 4.779 8.261 ( -1.174 1.030 0.721) 1.720 8.461 ( -0.129 0.791 -1.461) 1.667 8.512 ( 2.041 -1.288 1.815) 3.020 8.607 ( 1.382 2.334 -1.810) 3.261 8.689 ( 1.857 0.536 -2.365) 3.054 12.241 ( -1.056 6.727 0.092) 6.810 12.336 ( 0.673 5.266 -0.997) 5.401 12.591 ( -0.647 -4.335 1.528) 4.642 12.716 ( 1.824 -7.978 -1.466) 8.314 13.894 ( -0.871 0.329 -0.790) 1.221 13.945 ( 1.103 -0.606 -0.814) 1.499 14.045 ( -2.609 0.140 -0.710) 2.707 14.106 ( 0.612 -1.188 0.678) 1.499 14.167 ( -0.038 2.249 0.487) 2.301 14.222 ( 1.137 1.433 1.085) 2.127 14.302 ( -3.653 1.345 -2.284) 4.513 14.346 ( 1.022 -0.167 -0.050) 1.037 14.389 ( -3.944 5.429 -4.047) 7.836 14.529 ( 5.200 2.403 1.983) 6.062 14.626 ( 0.706 -1.442 2.481) 2.955 14.671 ( -4.231 0.321 0.750) 4.309 14.781 ( -4.410 0.555 1.173) 4.597 14.879 ( -4.111 -1.992 0.167) 4.572 14.971 ( 4.665 2.969 1.319) 5.685 15.013 ( 1.684 4.759 1.691) 5.324 17.643 ( -14.950 -12.177 -3.371) 19.574 17.871 ( -11.999 -19.386 0.709) 22.810 18.123 ( 7.259 11.174 1.381) 13.396 18.241 ( 2.034 1.107 -2.088) 3.118 18.316 ( 5.352 -0.455 1.981) 5.725 18.407 ( 6.491 -3.498 0.020) 7.374 18.468 ( -0.409 -6.055 3.339) 6.927 18.701 ( 4.188 -5.834 -4.003) 8.222 ======================= Grid point 83 (41/80) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 2.749 -9.674 -9.545) 13.865 1.584 ( -5.600 6.306 -10.301) 13.313 1.870 ( -2.469 4.479 2.102) 5.529 1.950 ( -1.329 5.424 -5.008) 7.501 2.049 ( 5.035 10.994 1.046) 12.137 2.092 ( -12.668 -6.124 3.978) 14.622 2.200 ( -4.417 2.622 4.358) 6.737 2.292 ( -3.793 -4.596 -4.316) 7.358 2.397 ( 3.607 4.433 6.971) 9.014 2.500 ( -5.374 -3.154 -2.531) 6.725 2.593 ( -3.224 0.426 0.261) 3.262 2.699 ( -0.481 3.188 -2.146) 3.872 2.801 ( -1.771 6.145 1.470) 6.562 2.814 ( 1.040 -0.189 3.274) 3.441 2.885 ( 4.008 0.328 4.449) 5.997 3.007 ( -0.938 6.298 4.749) 7.943 3.062 ( 0.685 7.902 3.457) 8.652 3.131 ( -4.539 5.848 3.180) 8.057 3.253 ( 0.094 0.409 1.834) 1.881 3.308 ( -1.139 6.906 -6.149) 9.317 3.332 ( -2.625 5.375 0.522) 6.005 3.521 ( -0.532 6.561 -1.137) 6.680 3.576 ( 0.167 3.156 3.004) 4.360 3.607 ( -1.956 -3.816 1.740) 4.627 3.741 ( 1.583 0.645 4.977) 5.263 3.775 ( 1.913 6.009 1.064) 6.395 3.903 ( -0.374 -1.186 -1.196) 1.725 3.951 ( 0.043 0.429 -0.806) 0.914 4.102 ( 7.463 7.500 -1.000) 10.628 4.161 ( 1.457 3.868 -7.735) 8.771 4.260 ( 4.065 5.378 -0.159) 6.744 4.279 ( 2.130 8.496 -1.480) 8.883 4.387 ( 4.986 3.516 0.885) 6.165 4.446 ( -0.108 0.093 2.713) 2.717 4.501 ( 2.246 -0.357 -4.974) 5.469 4.519 ( 6.321 -1.782 1.458) 6.727 4.647 ( -3.591 0.872 0.734) 3.768 4.706 ( 2.855 -0.964 0.374) 3.036 4.778 ( 0.670 0.423 -1.946) 2.101 4.814 ( -2.534 2.876 -1.654) 4.175 4.872 ( -0.546 -5.937 4.268) 7.332 4.904 ( -1.968 -1.875 2.477) 3.678 4.947 ( -1.523 3.045 -4.171) 5.384 5.033 ( 0.958 0.176 1.168) 1.520 5.077 ( -5.434 -7.458 -3.016) 9.708 5.180 ( 0.233 -2.185 1.981) 2.958 5.282 ( 3.100 -6.670 5.422) 9.138 5.314 ( -0.186 -3.700 -2.929) 4.723 5.426 ( -4.267 -0.957 -3.392) 5.534 5.579 ( 1.724 0.918 -0.772) 2.100 5.703 ( -0.775 -8.249 -4.571) 9.463 5.780 ( 1.035 -3.096 1.098) 3.444 6.073 ( -3.505 -2.213 1.930) 4.573 6.177 ( 2.137 -5.615 -2.469) 6.495 6.209 ( 0.208 -2.050 2.474) 3.219 6.349 ( -1.021 -3.935 5.018) 6.458 6.426 ( -0.696 4.720 -0.407) 4.788 6.586 ( -1.942 -6.385 1.159) 6.773 6.645 ( -5.290 -0.839 -0.813) 5.417 6.703 ( -4.283 -0.379 0.428) 4.321 6.806 ( 4.847 -0.366 -6.672) 8.255 6.928 ( -2.267 -2.164 -6.060) 6.823 6.974 ( -0.277 -0.844 -1.790) 1.999 7.184 ( 2.430 -3.774 2.083) 4.948 7.241 ( 4.238 -6.213 5.072) 9.071 7.322 ( 2.252 -4.491 -1.450) 5.229 7.415 ( 0.652 7.282 -1.520) 7.468 7.627 ( 0.204 2.959 -2.461) 3.854 7.713 ( 0.868 4.613 -2.762) 5.446 7.794 ( 0.636 0.632 5.731) 5.801 7.879 ( 1.111 4.078 -0.213) 4.232 7.998 ( -3.128 -1.015 -0.423) 3.315 8.040 ( -2.598 -2.190 2.087) 3.988 8.052 ( -4.846 -0.948 2.433) 5.505 8.199 ( 1.446 3.152 0.373) 3.488 8.331 ( 3.214 1.069 4.258) 5.441 8.447 ( 0.235 3.281 -2.174) 3.943 8.551 ( 0.514 -0.296 0.025) 0.594 8.592 ( 0.869 3.603 -1.879) 4.155 8.708 ( 1.682 2.209 -1.559) 3.184 12.223 ( -0.742 6.954 0.087) 6.994 12.337 ( 0.295 6.207 -0.980) 6.291 12.594 ( -0.701 -4.188 1.545) 4.519 12.730 ( 1.471 -8.775 -1.745) 9.067 13.879 ( -0.404 0.505 0.157) 0.665 13.938 ( -1.323 -0.032 -0.260) 1.348 13.991 ( -0.231 0.118 -1.979) 1.996 14.133 ( 0.865 -0.802 0.882) 1.473 14.158 ( -0.252 1.789 -1.382) 2.274 14.204 ( -1.930 2.814 0.906) 3.531 14.264 ( 1.345 0.618 -1.308) 1.975 14.317 ( -1.755 0.478 -0.522) 1.892 14.382 ( 1.390 0.370 1.248) 1.904 14.492 ( -5.633 -1.003 -3.422) 6.667 14.631 ( 1.370 2.316 1.116) 2.913 14.693 ( 1.947 1.502 -1.218) 2.744 14.769 ( -1.515 1.664 4.950) 5.438 14.844 ( -2.612 -0.471 2.931) 3.954 15.032 ( -0.134 3.479 -1.560) 3.815 15.080 ( 2.849 1.228 2.936) 4.271 17.401 ( -8.249 -12.153 2.414) 14.885 17.701 ( -7.525 -21.384 4.292) 23.072 18.214 ( 3.725 4.386 -1.917) 6.065 18.271 ( 3.023 2.034 -1.013) 3.782 18.362 ( -1.216 -0.517 0.142) 1.329 18.463 ( -2.227 -5.155 2.474) 6.137 18.581 ( 9.225 0.083 -0.070) 9.226 18.693 ( 0.437 -1.934 -7.596) 7.850 ======================= Grid point 84 (42/80) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 13.855 -14.148 -8.157) 21.417 1.665 ( 12.332 2.640 9.355) 15.703 1.803 ( -2.126 11.417 -12.765) 17.258 1.920 ( -1.103 0.562 9.294) 9.376 1.959 ( -6.903 -13.769 12.787) 20.019 2.139 ( -3.846 7.915 0.288) 8.805 2.187 ( 7.073 8.420 -2.970) 11.390 2.238 ( 0.650 -5.583 1.753) 5.888 2.354 ( -1.819 1.276 -3.043) 3.768 2.477 ( -3.233 -1.063 0.077) 3.404 2.604 ( -0.811 4.907 4.352) 6.609 2.638 ( 3.061 4.665 -6.998) 8.950 2.816 ( -2.213 -0.763 2.597) 3.497 2.848 ( -0.842 1.071 4.737) 4.929 2.958 ( -4.404 7.845 -0.485) 9.009 2.972 ( -2.685 4.073 1.774) 5.191 3.014 ( -2.818 7.728 -2.061) 8.480 3.145 ( 0.769 4.841 3.455) 5.997 3.228 ( -4.253 -0.352 -6.913) 8.125 3.247 ( 0.047 6.505 -1.834) 6.758 3.283 ( 0.591 2.491 4.129) 4.858 3.467 ( -1.255 3.166 -2.537) 4.247 3.566 ( -1.152 2.966 3.032) 4.395 3.653 ( -0.069 1.673 3.339) 3.735 3.743 ( 1.005 5.454 -1.894) 5.860 3.825 ( -0.179 6.678 2.106) 7.005 3.938 ( -4.756 -2.611 1.567) 5.647 3.997 ( 6.149 4.326 3.665) 8.364 4.090 ( 1.525 3.199 0.547) 3.586 4.255 ( -0.283 8.312 -2.528) 8.693 4.296 ( 1.007 7.940 0.466) 8.017 4.301 ( 2.123 2.011 -0.914) 3.064 4.366 ( -0.470 -0.555 -8.665) 8.695 4.414 ( -1.160 -0.630 -1.656) 2.117 4.468 ( 1.822 2.729 -0.496) 3.319 4.554 ( -3.856 -0.061 -7.047) 8.034 4.663 ( 1.659 0.394 0.670) 1.832 4.698 ( -2.466 0.161 -3.878) 4.599 4.742 ( 0.135 0.373 -0.721) 0.823 4.855 ( -2.360 -1.918 0.217) 3.049 4.880 ( 4.254 0.931 5.318) 6.873 4.924 ( -1.750 -2.294 2.667) 3.929 4.942 ( 5.862 -2.944 2.141) 6.900 5.011 ( 0.504 -1.793 5.839) 6.129 5.074 ( -4.021 -3.117 -1.812) 5.401 5.133 ( -1.376 -2.737 -5.515) 6.309 5.251 ( 0.385 -4.404 4.086) 6.020 5.372 ( -0.225 -0.541 -0.534) 0.793 5.430 ( 3.940 -3.473 3.858) 6.517 5.627 ( 1.416 5.225 -3.135) 6.255 5.708 ( 3.608 -8.599 1.209) 9.403 5.808 ( 1.147 -3.945 3.421) 5.347 6.044 ( -1.550 -2.419 2.532) 3.829 6.144 ( -0.352 -2.423 -3.363) 4.160 6.262 ( -4.805 -1.246 -4.414) 6.642 6.272 ( 0.376 -2.302 2.900) 3.722 6.487 ( 1.688 -1.234 5.051) 5.467 6.526 ( -3.740 -5.864 -4.670) 8.377 6.579 ( -0.206 0.523 0.309) 0.642 6.667 ( 1.125 -2.808 -0.742) 3.114 6.808 ( -0.270 -1.398 -4.728) 4.938 6.849 ( 3.382 0.030 -4.892) 5.947 6.959 ( 1.468 -0.933 -3.839) 4.215 7.180 ( -1.531 -2.701 -2.869) 4.228 7.336 ( -1.283 -7.118 5.053) 8.823 7.382 ( 2.366 -6.009 2.909) 7.083 7.432 ( 0.918 4.210 0.746) 4.373 7.602 ( 0.596 3.261 -0.281) 3.327 7.704 ( 0.104 0.579 -3.084) 3.139 7.847 ( -1.443 2.514 5.953) 6.621 7.874 ( 0.342 0.261 -2.635) 2.670 7.970 ( 0.834 2.248 -1.142) 2.656 7.988 ( -2.487 0.046 -0.193) 2.495 8.038 ( -1.100 0.205 4.243) 4.388 8.216 ( -0.058 3.015 0.434) 3.046 8.356 ( -2.823 0.424 0.060) 2.856 8.445 ( 0.837 4.214 -0.354) 4.311 8.542 ( 0.045 0.526 -1.209) 1.319 8.614 ( 1.095 3.958 0.355) 4.122 8.718 ( 1.128 2.358 -1.470) 2.999 12.223 ( 0.319 6.943 0.788) 6.994 12.326 ( -0.012 6.441 -1.746) 6.673 12.596 ( -0.801 -4.422 1.715) 4.810 12.737 ( 1.057 -9.037 -1.674) 9.251 13.884 ( 0.543 0.154 0.859) 1.028 13.923 ( 0.173 0.873 0.108) 0.896 14.020 ( 2.837 -1.857 1.101) 3.565 14.116 ( -2.000 -1.837 -2.202) 3.496 14.161 ( 1.106 2.855 -0.025) 3.062 14.197 ( -0.614 3.304 1.636) 3.737 14.265 ( 1.287 0.147 -0.101) 1.299 14.316 ( 1.311 1.045 -0.473) 1.742 14.393 ( -1.278 1.099 -0.077) 1.687 14.469 ( 3.567 -1.271 3.431) 5.110 14.630 ( -1.723 2.825 -1.701) 3.720 14.686 ( 0.007 2.235 -3.076) 3.802 14.763 ( -3.478 2.679 -0.639) 4.436 14.805 ( -2.775 -2.696 2.993) 4.891 14.963 ( -2.305 2.513 -4.244) 5.444 15.123 ( -0.398 0.828 1.094) 1.428 17.440 ( 3.630 -12.263 12.805) 18.098 17.707 ( 0.211 -20.625 10.228) 23.023 18.238 ( 1.943 1.804 -5.311) 5.936 18.302 ( -1.950 1.264 -0.555) 2.389 18.329 ( 1.365 1.257 -0.482) 1.917 18.440 ( -2.670 -4.145 2.208) 5.403 18.539 ( -4.057 0.904 -11.844) 12.552 18.710 ( 4.341 -1.530 -3.362) 5.699 ======================= Grid point 85 (43/80) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 14.253 -10.982 -5.505) 18.816 1.622 ( -1.657 16.059 -13.136) 20.814 1.848 ( -4.235 -2.158 2.099) 5.196 1.968 ( -5.003 -0.276 5.050) 7.115 2.068 ( 1.685 7.596 3.259) 8.435 2.114 ( 3.880 0.300 1.924) 4.341 2.231 ( -0.272 4.592 2.494) 5.233 2.330 ( 6.666 4.070 -2.141) 8.098 2.380 ( 3.002 2.387 -3.225) 5.011 2.456 ( 2.164 1.186 2.594) 3.580 2.571 ( 5.847 0.538 4.288) 7.271 2.618 ( -3.403 -2.980 -0.931) 4.618 2.762 ( -1.331 3.095 3.906) 5.158 2.841 ( -4.038 5.389 1.923) 7.003 2.906 ( -0.951 6.451 -2.797) 7.096 2.982 ( -1.428 4.149 5.821) 7.290 3.031 ( 7.414 3.184 -1.708) 8.248 3.136 ( 1.224 -1.901 -5.235) 5.703 3.149 ( 1.815 8.649 -4.555) 9.942 3.251 ( -2.239 6.544 8.282) 10.790 3.376 ( -0.611 -0.759 6.734) 6.805 3.484 ( 4.161 -0.027 0.711) 4.222 3.571 ( -0.816 1.082 2.921) 3.220 3.670 ( -2.589 5.950 -1.467) 6.653 3.728 ( -2.402 1.782 0.332) 3.009 3.800 ( -0.367 4.998 0.622) 5.050 3.849 ( -4.245 4.846 2.553) 6.930 4.091 ( -1.540 -0.446 -2.670) 3.114 4.131 ( -2.986 2.722 1.127) 4.195 4.160 ( -3.572 1.747 -4.868) 6.285 4.193 ( 0.595 1.472 0.924) 1.837 4.272 ( -1.569 3.002 -3.714) 5.027 4.370 ( -0.680 0.910 0.246) 1.162 4.424 ( 0.331 1.738 1.204) 2.140 4.457 ( 0.537 2.397 -0.345) 2.480 4.517 ( -1.029 -2.667 -7.302) 7.841 4.581 ( 1.340 5.716 3.407) 6.789 4.679 ( -0.190 -0.826 -3.916) 4.006 4.770 ( 1.167 -4.616 -1.769) 5.080 4.819 ( -2.592 -2.996 -0.713) 4.025 4.903 ( 1.493 0.320 -1.558) 2.181 4.919 ( -1.644 2.309 3.552) 4.545 4.950 ( -1.895 0.512 -1.442) 2.436 5.027 ( -0.502 -2.125 1.249) 2.516 5.155 ( 2.202 -2.002 2.902) 4.157 5.187 ( 4.724 -1.838 3.572) 6.201 5.315 ( 3.255 -5.029 1.956) 6.302 5.360 ( 0.961 0.486 -0.225) 1.100 5.461 ( -3.820 0.330 0.854) 3.928 5.577 ( -0.379 -1.471 -4.653) 4.894 5.767 ( 1.342 -3.906 0.913) 4.230 5.834 ( -2.132 -1.928 -0.458) 2.911 6.094 ( 0.260 -0.731 0.568) 0.961 6.130 ( 1.133 -2.446 1.035) 2.887 6.203 ( 3.004 -2.871 3.034) 5.145 6.252 ( -1.021 -6.936 -2.136) 7.329 6.481 ( 2.035 -1.260 -0.427) 2.431 6.537 ( -0.614 -2.617 0.924) 2.843 6.564 ( 3.455 2.029 -2.439) 4.691 6.730 ( 5.217 -3.438 -5.011) 8.009 6.817 ( 1.361 -0.268 3.413) 3.684 6.859 ( 1.275 0.947 -3.340) 3.699 6.956 ( 2.461 -4.605 -4.024) 6.592 7.086 ( -4.255 -2.623 -4.994) 7.066 7.290 ( -7.024 -5.105 3.379) 9.318 7.403 ( -1.121 -2.583 1.681) 3.280 7.453 ( -0.215 -2.785 -0.054) 2.793 7.630 ( -2.856 -1.127 -3.518) 4.669 7.665 ( 1.475 5.889 5.091) 7.923 7.840 ( -0.494 1.841 -1.037) 2.170 7.895 ( 0.155 5.201 -0.481) 5.225 7.960 ( 2.440 -0.493 -1.454) 2.883 7.995 ( 1.400 2.341 1.326) 3.033 8.090 ( 0.249 0.655 6.278) 6.317 8.211 ( -1.025 2.885 0.436) 3.093 8.295 ( -2.058 2.432 -0.440) 3.216 8.454 ( 0.267 1.903 0.765) 2.069 8.516 ( -1.879 -0.766 -0.926) 2.231 8.615 ( -0.694 4.042 -1.637) 4.416 8.724 ( 0.807 0.883 -1.047) 1.589 12.243 ( 0.445 6.766 1.064) 6.864 12.311 ( 0.767 5.892 -2.107) 6.304 12.596 ( -1.071 -4.834 1.687) 5.231 12.731 ( 0.112 -8.570 -1.890) 8.776 13.907 ( 0.529 0.333 0.451) 0.771 13.938 ( 1.735 0.171 -0.088) 1.746 14.044 ( -2.185 -1.713 -1.524) 3.167 14.079 ( 1.702 -2.301 -0.190) 2.869 14.163 ( -0.864 2.167 -0.242) 2.345 14.203 ( -0.282 3.213 0.256) 3.235 14.328 ( 0.905 1.381 -1.393) 2.161 14.345 ( 2.946 1.237 1.139) 3.392 14.426 ( 3.612 3.019 4.490) 6.505 14.488 ( -3.334 2.423 -5.917) 7.211 14.587 ( 1.227 -0.152 2.789) 3.051 14.635 ( -2.438 0.256 -0.520) 2.506 14.746 ( 2.575 0.724 1.918) 3.292 14.812 ( 3.356 0.771 -2.994) 4.563 14.937 ( 0.033 -0.656 3.969) 4.023 15.093 ( -2.972 2.146 -0.156) 3.669 17.698 ( 7.200 -12.022 14.867) 20.430 17.871 ( 4.476 -18.264 12.234) 22.433 18.114 ( -5.471 8.655 -11.631) 15.497 18.263 ( -1.309 -0.178 -1.745) 2.189 18.341 ( -1.081 -1.399 -4.970) 5.275 18.372 ( -0.305 -1.672 -3.605) 3.986 18.420 ( -2.840 -3.010 1.265) 4.327 18.703 ( 0.598 -4.615 -5.651) 7.321 ======================= Grid point 86 (44/80) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -5.919 20.327 -5.051) 21.765 1.716 ( 5.880 22.456 -15.736) 28.044 1.781 ( 4.612 -4.392 -4.610) 7.862 1.992 ( -3.246 -5.046 11.368) 12.854 2.052 ( 3.565 -0.977 -7.160) 8.058 2.166 ( 0.550 4.937 0.074) 4.968 2.190 ( 1.113 3.249 -0.117) 3.436 2.389 ( -1.393 10.253 7.415) 12.730 2.511 ( 3.689 4.236 6.911) 8.906 2.564 ( 3.232 -1.637 -7.321) 8.168 2.612 ( 4.926 -1.177 4.501) 6.776 2.709 ( -0.201 0.629 0.637) 0.918 2.770 ( -1.675 4.483 -4.210) 6.374 2.810 ( -0.621 -1.333 7.562) 7.704 2.931 ( 0.184 4.063 3.945) 5.666 2.998 ( 2.684 6.540 1.609) 7.250 3.124 ( 2.303 4.885 1.228) 5.538 3.144 ( 4.411 3.351 -4.494) 7.133 3.196 ( 2.830 -0.387 -1.497) 3.225 3.288 ( -0.987 6.122 6.126) 8.717 3.374 ( -2.528 3.417 0.758) 4.317 3.493 ( -5.902 1.636 2.645) 6.671 3.553 ( -2.197 0.641 2.064) 3.082 3.644 ( -5.580 3.858 3.829) 7.790 3.710 ( 4.641 -3.400 1.555) 5.960 3.789 ( -1.603 3.776 -2.648) 4.883 3.843 ( -1.119 7.264 2.072) 7.636 3.987 ( -4.909 -2.462 -1.175) 5.616 4.051 ( 0.814 -1.934 0.587) 2.179 4.119 ( -1.492 1.878 -6.060) 6.517 4.173 ( 1.221 -2.783 -2.209) 3.757 4.255 ( -0.488 2.101 -2.471) 3.281 4.332 ( -4.397 -3.211 1.784) 5.729 4.389 ( 0.574 -0.694 -4.681) 4.767 4.478 ( 0.815 0.590 0.554) 1.148 4.560 ( 4.100 4.362 2.612) 6.532 4.635 ( 0.569 3.946 2.917) 4.940 4.656 ( 1.476 -0.626 -0.452) 1.666 4.720 ( -1.680 -3.788 1.387) 4.370 4.797 ( 1.358 -4.930 -4.819) 7.026 4.869 ( -0.442 1.732 -2.646) 3.193 4.952 ( -0.449 4.680 1.490) 4.932 4.996 ( 2.263 -2.264 4.935) 5.883 5.037 ( -0.709 1.197 1.493) 2.041 5.099 ( -3.520 0.944 -5.672) 6.742 5.220 ( 1.388 -3.864 0.239) 4.112 5.277 ( -3.435 -0.912 1.605) 3.900 5.328 ( -7.207 -2.062 -4.230) 8.607 5.541 ( 2.147 -0.703 0.367) 2.289 5.564 ( 7.855 -0.780 -0.831) 7.937 5.745 ( -1.071 -7.338 -1.997) 7.680 5.837 ( 1.660 -0.733 -0.844) 2.001 6.067 ( -0.119 -3.823 -0.282) 3.835 6.153 ( 2.363 -8.753 -2.158) 9.320 6.233 ( 1.343 1.902 2.666) 3.539 6.381 ( 1.768 -2.503 7.527) 8.127 6.495 ( 0.965 2.465 -1.826) 3.216 6.559 ( 2.075 -2.213 -0.409) 3.061 6.665 ( 6.722 -0.733 1.860) 7.013 6.735 ( 0.943 -2.307 -4.205) 4.888 6.786 ( -2.579 -1.567 -4.181) 5.157 6.860 ( -3.066 -1.303 -1.643) 3.714 6.898 ( -2.287 -3.157 2.239) 4.496 7.053 ( 4.362 -4.777 -3.226) 7.229 7.224 ( -3.852 -1.419 4.447) 6.052 7.385 ( -3.297 -6.290 -3.548) 7.939 7.420 ( 1.069 1.983 0.511) 2.310 7.535 ( -3.449 1.898 -1.789) 4.324 7.753 ( 1.376 5.536 3.968) 6.949 7.830 ( 2.547 4.468 -2.579) 5.753 7.871 ( -3.219 6.335 2.772) 7.628 7.991 ( 1.124 0.614 -2.839) 3.114 8.032 ( 0.425 1.074 2.232) 2.513 8.143 ( -0.033 0.717 3.678) 3.747 8.176 ( -2.943 2.849 1.739) 4.450 8.321 ( 3.122 0.883 1.276) 3.486 8.457 ( -2.074 -0.437 0.850) 2.283 8.485 ( 0.926 -0.963 -0.857) 1.587 8.562 ( -1.967 3.267 -2.478) 4.548 8.720 ( 0.150 -1.035 -1.685) 1.983 12.252 ( -0.177 7.001 0.597) 7.029 12.318 ( 1.813 4.438 -1.690) 5.083 12.591 ( -1.124 -4.926 1.591) 5.297 12.709 ( -0.312 -7.432 -1.645) 7.618 13.909 ( 0.692 0.581 -1.090) 1.416 13.968 ( -0.987 -1.616 -0.905) 2.098 14.006 ( 1.828 0.894 0.323) 2.060 14.111 ( 1.214 -1.936 0.412) 2.322 14.140 ( -0.385 1.704 -0.623) 1.854 14.184 ( -1.582 2.087 -0.503) 2.667 14.321 ( 0.206 0.565 -1.599) 1.709 14.370 ( 1.035 1.690 -1.114) 2.273 14.423 ( -1.330 0.029 -1.290) 1.853 14.454 ( 0.822 1.385 0.590) 1.716 14.607 ( -0.641 4.206 0.773) 4.325 14.728 ( 2.572 -0.275 3.717) 4.528 14.808 ( 3.578 1.928 0.770) 4.137 14.859 ( 2.750 2.711 1.495) 4.141 15.011 ( 0.324 -0.657 2.314) 2.427 15.039 ( -1.258 -0.733 0.966) 1.747 17.908 ( 0.721 0.139 2.270) 2.386 17.930 ( 0.698 1.183 -2.610) 2.950 18.047 ( 0.980 -16.177 9.219) 18.645 18.223 ( 0.027 -1.480 -2.706) 3.085 18.258 ( 0.229 -2.155 -5.925) 6.309 18.359 ( -1.807 -2.987 -2.297) 4.179 18.372 ( -2.620 -3.502 3.585) 5.655 18.664 ( 0.823 -6.616 -3.836) 7.691 ======================= Grid point 87 (45/80) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -9.905 10.843 5.448) 15.664 1.852 ( 5.207 7.756 6.942) 11.639 1.940 ( 1.457 1.143 4.363) 4.739 2.018 ( 5.659 2.479 3.858) 7.284 2.116 ( -5.124 -6.062 1.597) 8.096 2.219 ( 7.085 -5.903 4.679) 10.341 2.321 ( 4.736 9.856 -1.932) 11.104 2.369 ( -5.263 -2.510 1.965) 6.153 2.445 ( -2.651 -6.687 -1.757) 7.405 2.539 ( 2.272 -7.171 -3.133) 8.149 2.647 ( -8.928 6.263 -2.362) 11.159 2.726 ( -4.766 -1.898 -0.302) 5.139 2.789 ( -0.806 8.039 -2.453) 8.443 2.889 ( 1.649 -1.395 0.267) 2.177 3.033 ( 0.787 7.569 1.249) 7.711 3.127 ( 2.668 -0.242 -4.002) 4.817 3.185 ( -4.604 4.234 -0.976) 6.331 3.232 ( -3.279 0.213 -2.619) 4.202 3.304 ( 4.865 2.059 -2.523) 5.855 3.335 ( 6.684 2.068 0.343) 7.005 3.433 ( -0.563 2.990 5.530) 6.312 3.520 ( -1.534 4.005 5.016) 6.600 3.549 ( -0.843 -2.184 8.726) 9.035 3.646 ( -1.372 0.542 3.350) 3.660 3.692 ( -3.048 -3.805 -8.408) 9.720 3.793 ( -3.801 -5.662 -7.150) 9.881 3.864 ( 3.203 4.713 1.253) 5.834 3.956 ( -0.524 0.517 -0.995) 1.238 3.991 ( -1.282 6.480 -2.168) 6.952 4.030 ( 3.329 0.870 -0.579) 3.489 4.093 ( 1.987 -2.341 0.549) 3.119 4.196 ( -0.146 -8.764 -0.448) 8.777 4.366 ( 3.725 3.654 -1.640) 5.470 4.400 ( 1.013 -0.144 -0.852) 1.332 4.550 ( -0.938 4.721 -1.823) 5.147 4.615 ( 0.487 -0.267 -2.193) 2.262 4.659 ( -1.260 0.190 1.400) 1.893 4.693 ( 0.934 -2.863 -0.939) 3.154 4.751 ( -1.780 4.034 5.144) 6.775 4.785 ( 2.181 1.688 0.514) 2.805 4.851 ( -2.744 -1.785 -0.466) 3.306 4.888 ( -0.938 -5.215 1.172) 5.427 4.962 ( -1.422 3.031 -2.230) 4.022 5.058 ( -1.581 -1.181 3.292) 3.838 5.152 ( 6.714 1.929 -3.543) 7.832 5.246 ( 8.722 -3.386 0.775) 9.388 5.292 ( 0.109 5.790 -2.595) 6.346 5.307 ( -4.071 9.878 -2.571) 10.989 5.478 ( -1.791 -8.879 -2.957) 9.529 5.528 ( -2.848 -7.169 -0.906) 7.767 5.587 ( -0.005 3.218 -1.367) 3.497 5.741 ( -1.352 -8.207 -3.758) 9.127 5.997 ( 1.385 -1.892 0.847) 2.493 6.034 ( 3.359 -4.863 0.828) 5.968 6.303 ( -5.481 1.733 3.671) 6.820 6.334 ( -7.067 -1.457 3.841) 8.175 6.516 ( -0.289 0.658 -3.423) 3.497 6.544 ( -1.642 -2.063 -0.703) 2.728 6.731 ( 3.861 1.532 2.196) 4.699 6.758 ( 3.622 -0.487 0.531) 3.693 6.783 ( 2.915 2.474 -1.502) 4.108 6.830 ( 1.662 -1.438 -0.102) 2.200 6.919 ( 5.631 3.387 2.201) 6.930 7.030 ( 5.467 -5.620 -0.838) 7.885 7.151 ( -8.098 0.680 1.823) 8.328 7.210 ( -3.864 -5.195 0.234) 6.479 7.507 ( 4.619 2.738 -1.107) 5.483 7.541 ( 4.489 -0.325 -0.926) 4.595 7.863 ( -3.141 5.067 0.036) 5.962 7.902 ( -4.993 1.832 2.589) 5.915 7.981 ( -0.898 5.225 1.998) 5.666 8.018 ( 0.856 0.576 0.983) 1.425 8.048 ( -0.595 -0.985 0.321) 1.195 8.103 ( -4.444 -4.378 5.355) 8.221 8.233 ( 0.582 5.522 -2.291) 6.007 8.311 ( -1.984 -2.456 -0.299) 3.171 8.437 ( 1.298 -0.390 0.046) 1.356 8.449 ( 0.604 -1.514 -0.889) 1.857 8.616 ( 2.392 2.731 -1.512) 3.933 8.665 ( 1.197 -2.220 -2.590) 3.615 12.391 ( -0.284 7.357 0.087) 7.363 12.414 ( 0.913 4.172 -0.413) 4.290 12.504 ( -0.242 -4.026 1.128) 4.188 12.552 ( -0.002 -7.906 -0.144) 7.907 13.921 ( 0.186 0.265 -0.712) 0.782 13.927 ( 0.015 -0.241 -0.358) 0.432 14.065 ( 0.039 0.534 1.465) 1.560 14.083 ( -0.649 -1.178 0.334) 1.386 14.197 ( 0.983 1.222 1.780) 2.372 14.198 ( 0.402 1.346 1.708) 2.211 14.329 ( 0.247 0.458 0.030) 0.521 14.344 ( -0.933 -1.047 -0.167) 1.412 14.473 ( 2.769 2.196 1.361) 3.787 14.505 ( 2.275 -1.353 3.598) 4.467 14.656 ( -2.249 4.781 -3.817) 6.518 14.729 ( -1.133 -2.100 -2.334) 3.338 14.874 ( -2.823 2.040 -0.086) 3.484 14.928 ( -3.948 -3.571 -1.262) 5.471 14.964 ( 3.471 3.288 -3.227) 5.768 15.013 ( 2.169 -1.082 -2.805) 3.707 17.747 ( -12.270 -3.605 5.633) 13.974 17.794 ( -11.265 -8.407 6.533) 15.500 18.152 ( 10.543 5.198 -4.284) 12.511 18.203 ( 7.198 -1.781 -3.480) 8.191 18.277 ( 0.619 2.963 -0.321) 3.044 18.300 ( -0.139 5.340 0.196) 5.345 18.329 ( 0.878 -2.825 2.065) 3.608 18.495 ( 2.758 -10.113 -2.608) 10.801 ======================= Grid point 88 (46/80) ======================= q-point: ( 0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -16.223 13.058 4.499) 21.305 1.851 ( -15.106 -15.327 10.909) 24.127 2.017 ( -4.601 0.921 -2.509) 5.321 2.064 ( 5.095 1.029 0.299) 5.206 2.143 ( -13.656 5.011 -5.088) 15.411 2.210 ( 0.245 6.088 2.759) 6.689 2.305 ( -4.632 1.994 4.220) 6.576 2.330 ( -6.005 -0.117 -6.553) 8.889 2.393 ( -4.728 -1.583 -4.051) 6.425 2.537 ( 5.323 -9.148 8.540) 13.599 2.553 ( 2.839 1.901 1.524) 3.741 2.610 ( 0.618 -0.162 3.703) 3.758 2.759 ( 1.128 6.577 -6.640) 9.414 2.899 ( 2.750 -6.051 -5.785) 8.811 3.033 ( -3.493 8.031 1.819) 8.945 3.084 ( -4.182 4.882 1.759) 6.664 3.115 ( -0.674 4.066 1.139) 4.276 3.216 ( -1.669 -0.790 6.825) 7.071 3.328 ( -4.989 2.842 3.502) 6.726 3.383 ( 2.527 6.209 -4.873) 8.288 3.445 ( 0.168 -4.528 0.022) 4.532 3.518 ( -0.419 1.189 -3.418) 3.643 3.596 ( 1.171 0.484 2.357) 2.676 3.673 ( 2.662 1.655 4.331) 5.346 3.724 ( 5.035 -1.963 1.271) 5.551 3.747 ( 0.115 2.189 -0.434) 2.235 3.875 ( 0.699 5.777 -1.337) 5.971 3.956 ( 2.033 -4.322 -2.651) 5.462 4.098 ( 7.633 1.640 -4.336) 8.931 4.107 ( 9.545 3.914 0.184) 10.318 4.189 ( 6.019 -0.348 5.230) 7.981 4.230 ( 4.610 -6.366 -1.940) 8.096 4.379 ( 0.223 2.811 -0.998) 2.992 4.415 ( 3.988 0.142 -1.336) 4.208 4.507 ( -0.009 5.105 -2.292) 5.596 4.589 ( 0.792 5.728 -4.581) 7.377 4.645 ( 0.233 -6.589 -2.841) 7.179 4.676 ( 0.187 -2.201 0.311) 2.231 4.756 ( -0.438 2.266 -0.942) 2.493 4.821 ( -0.534 -2.446 0.927) 2.670 4.848 ( -0.529 4.808 6.205) 7.867 4.955 ( 3.964 -1.790 0.610) 4.392 4.985 ( 0.245 -1.487 4.750) 4.983 5.036 ( -3.701 -4.757 2.175) 6.408 5.094 ( -7.389 4.719 -3.149) 9.315 5.174 ( -5.592 2.225 -4.447) 7.483 5.216 ( -3.056 1.772 -3.734) 5.140 5.338 ( -1.441 -2.578 -4.204) 5.138 5.484 ( -0.579 0.207 0.493) 0.788 5.522 ( 6.354 -0.075 1.918) 6.638 5.611 ( 3.794 -4.568 -1.384) 6.097 5.648 ( -1.175 -7.959 -5.508) 9.750 6.055 ( 2.770 -1.463 -0.664) 3.202 6.077 ( 0.187 -3.166 -1.697) 3.597 6.217 ( -5.620 1.510 4.222) 7.190 6.254 ( -5.076 -2.391 6.663) 8.711 6.473 ( -1.197 -0.248 -1.549) 1.974 6.499 ( -2.638 -3.506 0.488) 4.414 6.764 ( 1.745 3.405 -2.859) 4.777 6.805 ( 0.540 1.804 -0.385) 1.922 6.861 ( 2.226 1.144 -3.655) 4.430 6.896 ( 4.463 -0.863 0.639) 4.590 6.985 ( -3.874 1.337 -0.590) 4.140 7.026 ( -3.474 -0.920 3.667) 5.134 7.119 ( 2.276 -1.633 4.924) 5.665 7.170 ( 2.870 -7.706 -2.517) 8.600 7.569 ( 2.628 5.486 -2.433) 6.552 7.630 ( 4.458 -0.358 -0.351) 4.486 7.806 ( -3.663 4.218 3.978) 6.859 7.842 ( -3.879 2.485 2.937) 5.464 7.947 ( -0.728 2.957 -2.775) 4.120 8.007 ( -2.297 -3.461 -0.411) 4.174 8.026 ( -2.744 0.271 1.478) 3.128 8.078 ( -5.530 -3.778 4.407) 8.017 8.237 ( 2.091 3.796 -0.378) 4.351 8.271 ( -0.132 -0.134 0.596) 0.625 8.470 ( 2.018 0.437 -0.244) 2.079 8.487 ( 2.623 -1.215 0.980) 3.053 8.651 ( 2.931 2.272 -2.900) 4.708 8.686 ( 3.425 -1.086 -2.285) 4.258 12.382 ( -0.555 7.767 -0.215) 7.789 12.429 ( 0.896 4.211 -0.163) 4.309 12.512 ( -0.169 -3.891 1.153) 4.062 12.552 ( 0.286 -8.463 -0.372) 8.476 13.908 ( -0.609 1.003 -0.461) 1.261 13.929 ( 0.038 -1.016 -0.636) 1.199 14.058 ( -1.265 1.103 0.531) 1.760 14.083 ( 0.094 -1.299 1.154) 1.740 14.214 ( -0.145 2.311 1.034) 2.536 14.241 ( 0.509 -0.081 1.762) 1.836 14.317 ( -1.760 0.694 -1.010) 2.145 14.336 ( -0.301 -0.930 0.505) 1.100 14.507 ( -7.008 5.980 -5.288) 10.623 14.568 ( 3.324 1.259 0.405) 3.577 14.593 ( 0.703 -1.415 1.952) 2.511 14.636 ( -2.105 -3.609 0.311) 4.189 14.806 ( -2.276 1.944 0.456) 3.027 14.844 ( -2.580 -1.719 0.563) 3.151 15.025 ( 5.246 2.479 -2.173) 6.196 15.056 ( 3.892 -0.145 -1.797) 4.289 17.489 ( -17.438 -2.560 2.223) 17.765 17.568 ( -16.338 -10.605 3.622) 19.812 18.266 ( 1.848 2.837 -0.733) 3.464 18.294 ( 2.371 1.487 0.364) 2.822 18.325 ( 1.430 1.204 0.845) 2.052 18.352 ( 3.641 -3.006 0.419) 4.740 18.412 ( 11.090 4.550 -0.447) 11.996 18.565 ( 8.020 -8.114 -3.928) 12.066 ======================= Grid point 89 (47/80) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -12.649 11.185 6.683) 18.159 1.670 ( -19.155 -22.638 14.234) 32.894 1.728 ( -8.654 7.557 -3.555) 12.026 1.887 ( -10.332 -6.635 -2.238) 12.481 2.021 ( -2.510 4.621 -2.199) 5.700 2.134 ( -5.631 -5.906 1.998) 8.402 2.265 ( 3.461 2.950 0.983) 4.653 2.284 ( 0.440 0.058 -1.494) 1.558 2.457 ( -2.481 5.739 4.905) 7.947 2.530 ( -0.711 5.559 -5.707) 7.999 2.600 ( -0.424 -2.230 -0.149) 2.275 2.738 ( 5.170 -4.001 -1.370) 6.680 2.802 ( 5.352 4.506 4.293) 8.208 2.868 ( 0.095 0.312 -3.531) 3.546 2.983 ( -1.978 7.570 -0.051) 7.825 3.082 ( -1.341 -0.029 4.896) 5.077 3.112 ( -3.098 -0.295 0.531) 3.157 3.160 ( -4.499 -2.413 0.580) 5.138 3.341 ( 0.728 4.360 -1.370) 4.627 3.396 ( 1.073 7.299 1.086) 7.457 3.423 ( 2.321 -1.902 -5.247) 6.045 3.531 ( -0.349 -3.337 0.780) 3.445 3.650 ( -3.331 7.541 -1.046) 8.310 3.678 ( 0.077 7.438 10.135) 12.571 3.769 ( 1.934 -0.293 -1.386) 2.397 3.825 ( 2.179 -5.611 4.513) 7.523 3.893 ( 2.785 3.676 -3.414) 5.738 3.943 ( 2.269 -1.505 -1.406) 3.064 4.190 ( 5.766 3.420 -1.344) 6.837 4.238 ( 5.120 0.767 -2.981) 5.974 4.346 ( 7.284 4.568 1.109) 8.670 4.399 ( 2.215 -1.110 -1.011) 2.675 4.424 ( 8.541 3.236 4.807) 10.322 4.437 ( 0.949 1.307 -6.825) 7.014 4.518 ( 4.602 2.249 -1.485) 5.333 4.575 ( -0.116 4.856 -3.352) 5.902 4.645 ( 1.812 -5.832 -2.300) 6.526 4.685 ( -1.665 -0.684 -2.107) 2.772 4.729 ( 0.515 -0.983 2.593) 2.821 4.789 ( -1.415 -0.560 0.376) 1.567 4.843 ( -1.745 -1.598 -3.445) 4.179 4.888 ( -4.230 3.880 2.750) 6.364 4.920 ( -7.421 -5.801 -3.827) 10.166 4.962 ( -5.453 -2.576 -0.666) 6.068 5.095 ( 4.849 -1.341 -0.651) 5.073 5.135 ( 0.422 -2.342 -0.612) 2.457 5.209 ( 1.921 5.227 7.812) 9.594 5.304 ( 0.384 -0.040 4.573) 4.590 5.408 ( -4.980 -0.021 -2.240) 5.461 5.500 ( -3.699 -8.336 -4.756) 10.286 5.658 ( 5.933 3.608 -1.002) 7.016 5.729 ( 4.342 -2.955 -1.069) 5.360 6.033 ( -1.498 -1.207 -0.664) 2.035 6.061 ( 0.498 -4.407 -1.913) 4.830 6.217 ( -1.205 2.373 5.851) 6.428 6.277 ( -1.345 -3.354 6.520) 7.454 6.443 ( -1.799 -1.145 0.395) 2.169 6.467 ( -2.334 -4.228 1.862) 5.176 6.708 ( -5.753 3.606 -5.012) 8.439 6.729 ( -5.379 2.266 -1.333) 5.987 6.823 ( 3.691 1.967 -6.001) 7.315 6.902 ( 0.388 -1.329 -8.003) 8.122 6.986 ( 1.209 0.840 0.607) 1.592 7.038 ( 1.746 -6.358 4.770) 8.137 7.194 ( 1.043 -0.069 3.027) 3.203 7.234 ( 3.532 -3.976 -0.160) 5.321 7.556 ( -0.438 6.637 -1.875) 6.910 7.654 ( 0.225 -2.571 -2.796) 3.805 7.793 ( -3.170 5.033 1.496) 6.133 7.837 ( -1.287 2.369 6.722) 7.242 7.926 ( -1.995 0.514 -0.277) 2.078 7.959 ( -2.662 -3.056 1.483) 4.316 7.995 ( -0.811 -0.759 -0.707) 1.317 8.017 ( -0.382 -2.221 0.419) 2.292 8.267 ( 0.502 3.389 1.746) 3.846 8.321 ( 1.201 -1.942 2.957) 3.736 8.501 ( 1.696 2.329 -0.746) 2.976 8.535 ( 1.340 -1.208 0.562) 1.890 8.671 ( 2.830 3.811 -3.111) 5.675 8.721 ( 2.685 -1.051 -2.481) 3.804 12.371 ( -0.339 8.252 -0.173) 8.261 12.439 ( 0.440 4.230 -0.584) 4.292 12.518 ( -0.366 -3.870 0.958) 4.003 12.554 ( 0.335 -8.860 -0.453) 8.878 13.895 ( -0.397 1.087 0.001) 1.157 13.919 ( -0.184 -1.334 -0.254) 1.371 14.034 ( -1.566 3.392 -0.062) 3.737 14.098 ( -0.309 -2.767 0.816) 2.901 14.207 ( -0.171 2.680 -0.982) 2.859 14.239 ( -1.131 0.139 0.117) 1.146 14.278 ( -0.667 1.034 0.563) 1.353 14.308 ( -2.782 -1.361 0.429) 3.126 14.408 ( -1.110 2.355 0.132) 2.607 14.458 ( -3.488 -2.356 -2.066) 4.689 14.672 ( 1.999 1.906 1.053) 2.956 14.702 ( 2.491 -0.881 0.953) 2.809 14.806 ( 0.133 2.389 0.643) 2.477 14.836 ( -0.340 -0.622 1.069) 1.282 15.070 ( 1.526 1.233 -4.457) 4.870 15.091 ( 2.393 -0.518 -2.089) 3.219 17.255 ( -11.102 -1.620 8.265) 13.935 17.361 ( -10.704 -12.349 8.767) 18.545 18.277 ( 0.783 2.930 -1.139) 3.239 18.325 ( 1.410 2.741 -0.737) 3.169 18.334 ( -0.432 -2.459 -0.036) 2.497 18.378 ( -0.248 -3.312 0.696) 3.394 18.604 ( 9.256 2.110 -3.841) 10.241 18.651 ( 5.603 -2.449 -6.937) 9.247 ======================= Grid point 90 (48/80) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.595 3.962 7.432) 8.443 1.514 ( -11.016 -19.988 16.069) 27.913 1.784 ( 8.423 4.179 12.185) 15.391 1.882 ( 5.209 -3.649 6.557) 9.135 2.011 ( 2.344 6.216 -1.437) 6.797 2.114 ( 0.289 -5.254 4.839) 7.149 2.234 ( -1.999 5.873 -3.745) 7.247 2.331 ( 0.469 2.045 1.511) 2.586 2.375 ( -2.124 -2.830 -1.044) 3.689 2.421 ( -1.485 -2.717 -7.123) 7.767 2.700 ( 2.204 6.572 3.267) 7.663 2.739 ( 2.174 5.291 -5.910) 8.225 2.840 ( -3.828 1.871 -2.573) 4.977 2.888 ( 0.291 0.868 3.350) 3.472 3.003 ( 1.163 0.376 -0.572) 1.350 3.019 ( -0.776 -1.290 -2.861) 3.233 3.079 ( -2.402 0.298 1.700) 2.958 3.136 ( -2.033 -4.033 0.353) 4.530 3.293 ( 1.381 5.325 -3.734) 6.649 3.336 ( -2.123 4.188 -6.778) 8.245 3.418 ( -0.498 3.742 -1.230) 3.971 3.497 ( -2.425 -1.996 2.423) 3.967 3.565 ( -5.751 6.179 0.636) 8.465 3.732 ( -3.151 -6.310 -1.695) 7.254 3.820 ( 3.975 8.090 4.119) 9.910 3.883 ( 0.279 1.422 5.012) 5.217 3.961 ( 2.775 3.213 4.627) 6.280 4.031 ( 4.693 -2.173 2.265) 5.646 4.208 ( -2.671 7.353 -2.863) 8.331 4.307 ( -0.965 0.099 -3.906) 4.025 4.318 ( -2.275 -0.781 -8.027) 8.380 4.330 ( 0.159 -1.894 -1.554) 2.455 4.440 ( 2.046 4.742 -5.246) 7.362 4.479 ( -1.262 4.432 -6.769) 8.189 4.510 ( 2.441 2.011 -4.882) 5.817 4.589 ( 1.803 4.498 -2.649) 5.523 4.611 ( -3.610 -5.614 -3.072) 7.348 4.713 ( -3.306 -1.735 0.922) 3.846 4.758 ( 2.395 2.072 3.712) 4.880 4.787 ( 0.470 -3.452 2.642) 4.372 4.835 ( 2.220 -3.258 3.446) 5.236 4.867 ( 4.214 -3.878 2.682) 6.324 4.898 ( 1.283 -0.281 3.260) 3.514 4.928 ( 1.220 -2.351 1.207) 2.910 5.096 ( -3.344 2.498 -2.690) 4.965 5.152 ( 0.050 -2.607 -0.672) 2.693 5.222 ( -0.921 6.471 2.797) 7.110 5.339 ( -0.918 -3.709 2.332) 4.477 5.416 ( 2.885 2.077 4.653) 5.856 5.517 ( 4.450 -8.760 0.821) 9.859 5.719 ( 2.275 3.474 -1.295) 4.350 5.765 ( 0.962 -1.698 0.864) 2.134 6.023 ( -0.139 0.451 1.685) 1.749 6.067 ( 1.005 -3.976 0.951) 4.210 6.228 ( -3.442 -0.341 1.374) 3.721 6.246 ( -5.765 -1.544 -0.644) 6.003 6.430 ( -0.452 -2.166 -0.329) 2.237 6.443 ( -0.823 -2.811 3.090) 4.258 6.620 ( 2.856 1.919 -3.396) 4.835 6.646 ( 0.726 -0.477 -4.825) 4.902 6.828 ( -0.737 1.838 -2.981) 3.579 6.843 ( 2.052 -0.119 -3.078) 3.701 6.999 ( 0.543 3.926 -2.583) 4.731 7.090 ( -0.244 -5.784 0.033) 5.789 7.229 ( -1.035 -1.388 4.468) 4.791 7.272 ( 0.213 -4.984 0.612) 5.025 7.537 ( 0.509 5.392 -3.103) 6.242 7.625 ( 0.484 -2.901 -3.851) 4.846 7.745 ( -1.686 5.372 1.254) 5.768 7.846 ( -2.953 -3.573 2.233) 5.145 7.901 ( 0.816 2.529 2.812) 3.869 7.945 ( -0.739 -2.316 1.472) 2.842 8.017 ( 1.021 1.517 1.210) 2.192 8.037 ( 0.527 -0.545 2.224) 2.350 8.282 ( -0.698 3.353 1.369) 3.688 8.336 ( -1.441 -2.121 1.090) 2.786 8.509 ( -0.331 2.317 -0.701) 2.443 8.537 ( -0.855 -0.784 -0.615) 1.313 8.693 ( 1.861 3.558 -1.928) 4.454 8.736 ( 1.436 -0.659 -2.275) 2.770 12.371 ( 0.298 8.185 0.264) 8.194 12.432 ( -0.117 4.401 -1.282) 4.585 12.516 ( -0.667 -3.953 0.738) 4.076 12.558 ( 0.430 -8.910 -0.228) 8.923 13.900 ( 0.502 1.327 0.934) 1.698 13.925 ( 0.520 -0.924 0.696) 1.268 14.018 ( 0.181 1.821 -0.177) 1.838 14.069 ( -1.657 -2.857 -1.794) 3.758 14.220 ( 0.416 2.844 0.684) 2.955 14.246 ( 0.453 0.885 1.758) 2.020 14.279 ( 0.990 1.297 1.824) 2.448 14.311 ( 1.334 -1.469 2.290) 3.031 14.413 ( 0.244 1.366 1.524) 2.061 14.444 ( 2.641 -1.489 1.749) 3.500 14.684 ( -1.499 2.851 0.177) 3.226 14.738 ( 1.767 0.371 -1.961) 2.665 14.746 ( -5.594 -0.240 -2.852) 6.284 14.790 ( -2.884 -0.867 -4.137) 5.117 15.021 ( 0.882 4.054 -6.703) 7.883 15.102 ( 1.545 -3.172 -3.091) 4.691 17.289 ( 0.248 -2.103 17.742) 17.868 17.382 ( -1.022 -11.603 16.673) 20.339 18.270 ( 0.708 1.818 -3.980) 4.432 18.304 ( -0.998 -1.183 -2.681) 3.096 18.344 ( 0.864 0.770 -0.438) 1.237 18.374 ( -1.065 -2.468 1.353) 3.010 18.593 ( -1.010 3.949 -10.833) 11.575 18.666 ( 2.344 -3.140 -7.236) 8.229 ======================= Grid point 91 (49/80) ======================= q-point: (-0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 9.941 -1.482 7.600) 12.601 1.577 ( -1.099 -14.311 16.805) 22.100 1.964 ( 0.951 14.929 -12.749) 19.655 2.041 ( 2.070 4.328 1.781) 5.118 2.091 ( 7.459 0.690 8.102) 11.035 2.209 ( -0.625 2.582 1.900) 3.266 2.249 ( 7.345 -9.661 0.119) 12.137 2.283 ( -2.189 -1.112 0.831) 2.592 2.417 ( 4.257 -0.224 3.021) 5.225 2.457 ( 7.336 -2.702 6.746) 10.326 2.598 ( -5.979 6.014 -9.078) 12.423 2.657 ( -2.976 3.438 -2.822) 5.352 2.843 ( 3.073 7.042 1.852) 7.903 2.919 ( -3.764 1.442 4.083) 5.738 2.955 ( 3.167 -2.519 -4.237) 5.860 2.961 ( -1.406 -2.914 -3.586) 4.830 3.091 ( 4.292 0.981 -1.697) 4.719 3.119 ( 1.578 -1.047 -0.608) 1.989 3.306 ( 1.175 7.082 -0.767) 7.220 3.389 ( 1.348 4.047 -2.643) 5.018 3.408 ( 0.957 4.436 7.619) 8.869 3.457 ( -2.564 1.576 1.310) 3.282 3.513 ( -0.313 -5.579 3.896) 6.812 3.603 ( -5.397 -7.873 -5.679) 11.108 3.883 ( -3.847 8.012 -0.056) 8.888 3.942 ( 3.540 8.776 5.129) 10.764 3.988 ( -3.689 3.789 1.660) 5.543 4.106 ( -4.935 0.232 0.053) 4.941 4.114 ( 1.799 -2.242 0.139) 2.878 4.155 ( -4.435 -1.827 -2.538) 5.426 4.264 ( -3.782 4.366 -1.680) 6.016 4.298 ( -1.879 -0.106 -6.763) 7.020 4.362 ( -2.427 0.118 -4.955) 5.519 4.416 ( -0.170 -3.564 -4.579) 5.805 4.480 ( -1.373 1.839 -2.352) 3.286 4.522 ( 0.912 -0.254 -0.556) 1.098 4.652 ( 3.702 0.381 -0.093) 3.722 4.703 ( -0.042 1.833 0.473) 1.893 4.714 ( -2.913 -0.729 -2.208) 3.727 4.765 ( -6.004 0.773 0.051) 6.054 4.881 ( 2.637 -3.070 2.326) 4.668 4.912 ( 1.180 -2.528 1.584) 3.209 4.993 ( -2.743 3.255 0.395) 4.275 5.023 ( 4.261 2.680 1.341) 5.209 5.122 ( 0.592 -0.868 3.654) 3.802 5.180 ( 11.493 -3.885 8.534) 14.833 5.269 ( 1.249 4.336 -2.464) 5.141 5.373 ( 0.435 -2.153 -0.166) 2.203 5.446 ( -1.244 0.236 -2.822) 3.093 5.513 ( -0.498 -4.504 -4.667) 6.505 5.711 ( -4.154 0.467 1.600) 4.476 5.769 ( -2.057 -4.179 1.557) 4.911 6.069 ( 0.102 -0.067 -0.150) 0.193 6.095 ( -3.845 -2.457 -2.435) 5.172 6.165 ( 1.961 -1.578 2.809) 3.772 6.167 ( 2.707 -1.183 4.549) 5.424 6.452 ( 2.826 -0.149 1.031) 3.012 6.483 ( 1.523 -2.771 1.530) 3.512 6.667 ( 5.016 5.040 -1.876) 7.354 6.702 ( 6.693 -0.052 -2.767) 7.243 6.808 ( -0.817 0.512 0.830) 1.273 6.861 ( 3.549 -3.072 -3.833) 6.060 6.926 ( -4.674 3.219 -4.764) 7.409 7.014 ( -5.493 -4.763 -4.881) 8.757 7.218 ( -3.770 -0.636 4.398) 5.827 7.278 ( -1.059 -6.111 2.977) 6.880 7.503 ( 0.245 4.028 -4.863) 6.319 7.579 ( -0.270 -3.614 -5.849) 6.881 7.792 ( 2.582 6.501 4.908) 8.545 7.872 ( 2.468 -0.163 2.303) 3.379 7.938 ( 1.593 -0.041 0.240) 1.611 7.959 ( 0.401 -0.498 1.836) 1.944 8.034 ( -0.643 2.443 1.989) 3.216 8.077 ( -0.901 -1.611 6.505) 6.761 8.271 ( -0.719 2.951 -0.476) 3.074 8.310 ( -1.232 -0.792 -0.317) 1.498 8.482 ( -1.724 1.046 0.056) 2.017 8.499 ( -2.457 -0.809 -0.658) 2.669 8.686 ( -0.600 3.000 -2.512) 3.959 8.725 ( -0.275 -0.969 -2.229) 2.446 12.384 ( 0.484 7.590 0.540) 7.624 12.415 ( -0.106 4.754 -1.516) 4.991 12.509 ( -0.825 -4.115 0.628) 4.244 12.561 ( 0.056 -8.658 -0.201) 8.660 13.922 ( 0.310 1.104 0.874) 1.441 13.940 ( 0.393 -0.429 0.274) 0.643 14.022 ( -0.062 -0.099 -0.837) 0.845 14.040 ( 1.075 -1.662 -0.654) 2.084 14.212 ( -1.365 2.556 0.224) 2.907 14.241 ( -1.496 0.194 0.655) 1.645 14.340 ( 0.257 0.425 0.714) 0.870 14.353 ( 1.128 -0.486 1.736) 2.127 14.488 ( 2.831 3.194 1.214) 4.438 14.523 ( -0.811 0.320 -2.949) 3.076 14.606 ( 0.778 1.559 -0.341) 1.775 14.625 ( 0.423 -0.667 1.869) 2.029 14.755 ( 2.306 0.292 -0.890) 2.489 14.783 ( 3.378 -2.592 1.234) 4.433 14.987 ( 1.272 5.108 -5.050) 7.294 15.081 ( -0.113 -3.338 -3.879) 5.118 17.536 ( 4.648 -3.428 19.571) 20.405 17.592 ( 3.433 -9.256 18.539) 21.004 18.209 ( 0.064 2.088 -10.369) 10.577 18.244 ( -0.428 -1.824 -6.975) 7.222 18.347 ( -1.249 0.171 1.217) 1.752 18.359 ( -1.793 -0.987 0.266) 2.063 18.438 ( -4.295 7.066 -7.449) 11.130 18.588 ( -1.649 -7.220 -7.509) 10.547 ======================= Grid point 92 (50/80) ======================= q-point: (-0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 7.769 -0.536 5.266) 9.401 1.717 ( 1.892 -0.636 7.828) 8.078 1.878 ( 1.652 9.264 0.310) 9.416 2.017 ( -5.142 6.517 0.075) 8.301 2.129 ( 0.301 -6.637 -4.221) 7.871 2.192 ( -1.486 3.698 -3.999) 5.645 2.239 ( 3.567 5.246 2.249) 6.730 2.417 ( 1.507 -11.635 5.693) 13.041 2.469 ( 1.111 1.517 -4.897) 5.245 2.569 ( -1.367 -1.055 -5.180) 5.460 2.610 ( 6.657 5.232 6.132) 10.455 2.692 ( 5.288 -2.941 4.052) 7.282 2.856 ( -3.036 4.154 -0.748) 5.199 2.860 ( -1.281 4.165 3.034) 5.309 2.997 ( 2.893 1.837 1.787) 3.865 3.050 ( 7.455 -4.188 -4.232) 9.541 3.170 ( 5.157 4.562 1.040) 6.963 3.199 ( 6.972 2.344 -0.035) 7.355 3.279 ( 1.213 6.277 -7.419) 9.794 3.360 ( -4.479 -0.180 -1.017) 4.596 3.407 ( 0.635 1.004 3.715) 3.900 3.471 ( -3.100 -3.675 1.272) 4.973 3.542 ( -2.952 0.109 8.096) 8.618 3.598 ( 3.496 -5.503 4.234) 7.774 3.802 ( -2.145 8.808 0.957) 9.116 3.886 ( -7.471 1.922 -1.947) 7.956 3.983 ( -6.762 1.267 -7.236) 9.985 4.004 ( -1.315 5.577 0.077) 5.731 4.034 ( -5.137 2.069 1.076) 5.642 4.072 ( -4.500 -2.477 -2.787) 5.844 4.153 ( -5.209 -0.173 -1.924) 5.556 4.237 ( -4.218 -6.242 1.747) 7.733 4.312 ( 2.825 1.735 -3.439) 4.777 4.352 ( 3.294 -2.053 -2.742) 4.752 4.546 ( 3.443 3.816 1.663) 5.402 4.599 ( 4.007 -1.138 3.126) 5.208 4.629 ( 0.571 0.539 -1.005) 1.276 4.656 ( -1.537 -1.990 -1.628) 2.996 4.738 ( 3.156 0.364 -0.199) 3.184 4.745 ( -1.246 2.936 3.698) 4.883 4.903 ( -1.674 0.939 -0.239) 1.934 4.921 ( -1.137 -3.292 1.337) 3.731 4.992 ( -0.537 0.751 1.275) 1.574 5.044 ( 2.357 -1.436 2.413) 3.666 5.154 ( -2.600 3.931 -9.561) 10.660 5.252 ( -3.528 -3.767 -10.740) 11.916 5.287 ( 3.895 7.025 2.039) 8.287 5.329 ( -2.534 7.331 -0.196) 7.759 5.467 ( 7.895 -8.067 4.245) 12.059 5.526 ( 0.820 -9.493 -0.473) 9.540 5.621 ( -3.297 4.598 -1.352) 5.817 5.765 ( -0.009 -6.825 0.008) 6.825 6.009 ( -2.187 -1.922 -1.170) 3.138 6.016 ( -1.062 -3.628 -2.378) 4.466 6.279 ( 2.444 2.250 6.490) 7.290 6.327 ( 2.182 -2.731 8.562) 9.248 6.517 ( 2.817 0.751 0.018) 2.915 6.543 ( 2.767 -1.342 0.979) 3.227 6.715 ( -1.199 3.262 -0.989) 3.613 6.743 ( -2.652 1.672 -3.849) 4.964 6.779 ( 3.466 2.643 -4.736) 6.437 6.825 ( -1.013 -1.589 0.905) 2.091 6.839 ( -1.098 -1.270 -2.030) 2.634 6.944 ( 6.129 -7.138 -4.595) 10.471 7.212 ( -3.015 1.004 5.334) 6.209 7.271 ( -3.031 -4.807 1.877) 5.985 7.469 ( 1.362 2.716 -3.364) 4.533 7.521 ( 0.410 -2.389 -4.494) 5.106 7.877 ( 0.744 6.208 3.496) 7.163 7.926 ( 1.866 4.742 -0.773) 5.154 7.955 ( -1.983 -0.174 4.770) 5.169 7.995 ( 1.523 -0.665 0.826) 1.855 8.044 ( -0.668 2.235 2.309) 3.282 8.118 ( -2.149 -3.250 6.182) 7.307 8.246 ( -0.496 3.958 -1.800) 4.376 8.308 ( 1.663 -2.188 -0.926) 2.900 8.448 ( -2.257 -0.028 0.429) 2.298 8.461 ( -0.758 -1.183 -0.287) 1.434 8.631 ( -1.468 3.508 -3.058) 4.880 8.689 ( -0.829 -2.316 -2.449) 3.471 12.392 ( -0.027 7.349 0.252) 7.353 12.406 ( 0.592 4.429 -0.925) 4.563 12.502 ( -0.611 -4.150 0.814) 4.273 12.556 ( -0.272 -8.055 -0.169) 8.062 13.921 ( 0.082 0.765 -0.689) 1.032 13.940 ( -0.481 -1.204 -0.388) 1.353 14.032 ( 1.441 1.740 0.921) 2.440 14.070 ( 1.275 -2.120 0.969) 2.656 14.185 ( -1.082 2.381 -0.103) 2.617 14.210 ( -1.989 0.136 0.275) 2.012 14.334 ( -0.514 0.986 -0.458) 1.203 14.362 ( -0.951 -1.618 0.392) 1.917 14.449 ( -0.004 1.739 -2.019) 2.665 14.467 ( -0.224 -0.066 -0.455) 0.512 14.679 ( 1.048 3.027 -0.101) 3.204 14.720 ( 3.189 -1.047 0.607) 3.411 14.841 ( 4.912 2.417 3.010) 6.248 14.897 ( 4.900 -1.782 0.999) 5.309 14.972 ( 1.156 2.008 -2.052) 3.095 15.034 ( -0.550 -2.311 -3.549) 4.270 17.759 ( -0.032 -3.855 14.127) 14.643 17.798 ( -0.378 -7.962 14.181) 16.267 18.106 ( 2.837 5.370 -11.676) 13.161 18.173 ( 2.453 -2.856 -8.915) 9.677 18.306 ( -2.573 3.454 -0.624) 4.353 18.323 ( -2.097 -0.985 0.381) 2.348 18.337 ( -3.069 3.365 -0.444) 4.575 18.507 ( -0.511 -9.380 -3.959) 10.194 ======================= Grid point 117 (51/80) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 9.081 0.000 28.945) 30.336 1.321 ( -12.151 0.000 32.241) 34.455 1.505 ( 3.424 0.000 25.104) 25.337 1.556 ( -8.750 0.000 -15.490) 17.791 1.718 ( -8.132 0.000 -2.353) 8.466 1.849 ( 11.211 0.000 -16.969) 20.338 2.049 ( 10.052 0.000 -3.336) 10.591 2.061 ( -10.438 0.000 -2.792) 10.805 2.237 ( 5.106 0.000 2.192) 5.556 2.238 ( -2.024 0.000 -5.131) 5.516 2.323 ( -5.002 0.000 9.410) 10.657 2.352 ( -3.844 0.000 1.092) 3.996 2.580 ( -2.782 0.000 -2.147) 3.514 2.627 ( 1.903 0.000 0.906) 2.108 2.640 ( -0.092 0.000 -6.570) 6.570 2.778 ( 8.537 0.000 -3.028) 9.058 2.873 ( 2.635 0.000 -10.454) 10.781 2.884 ( -0.711 0.000 0.012) 0.711 3.197 ( 0.385 0.000 9.751) 9.758 3.325 ( 4.232 0.000 -0.560) 4.268 3.342 ( -4.509 0.000 0.110) 4.510 3.376 ( 4.543 0.000 2.501) 5.187 3.413 ( 5.647 0.000 -10.837) 12.220 3.522 ( -9.514 0.000 -10.742) 14.349 3.722 ( -6.568 0.000 -1.507) 6.739 3.743 ( 5.171 0.000 -2.890) 5.924 3.855 ( 7.853 0.000 11.156) 13.643 4.015 ( -7.004 0.000 -1.814) 7.235 4.029 ( 5.231 0.000 -1.750) 5.516 4.079 ( -7.091 0.000 -10.810) 12.928 4.226 ( -2.069 0.000 3.880) 4.397 4.248 ( 0.723 0.000 1.523) 1.686 4.304 ( 7.656 0.000 9.324) 12.064 4.458 ( -3.447 0.000 -7.492) 8.247 4.476 ( -3.265 0.000 0.653) 3.330 4.576 ( -6.953 0.000 -6.992) 9.861 4.635 ( 0.499 0.000 6.657) 6.676 4.666 ( 9.707 0.000 4.180) 10.569 4.731 ( -3.252 0.000 -2.516) 4.112 4.796 ( -4.404 0.000 -8.758) 9.803 4.924 ( -6.338 0.000 2.700) 6.889 4.977 ( 3.993 0.000 -3.315) 5.190 5.111 ( 4.594 0.000 3.507) 5.780 5.158 ( 6.071 0.000 0.245) 6.076 5.318 ( 8.004 0.000 4.303) 9.087 5.361 ( -8.135 0.000 0.845) 8.179 5.402 ( -2.373 0.000 2.206) 3.240 5.426 ( -1.535 0.000 -1.080) 1.877 5.599 ( -5.703 0.000 5.044) 7.613 5.639 ( 8.028 0.000 0.792) 8.067 5.917 ( -5.253 0.000 2.339) 5.750 5.980 ( 5.330 0.000 -3.723) 6.502 6.116 ( -0.334 0.000 9.936) 9.941 6.267 ( -1.401 0.000 -0.167) 1.411 6.423 ( -6.626 0.000 -0.018) 6.626 6.536 ( 10.951 0.000 -5.053) 12.060 6.770 ( 12.596 0.000 -0.349) 12.601 6.777 ( -6.893 0.000 0.108) 6.894 6.826 ( 0.822 0.000 1.763) 1.945 6.885 ( -12.826 0.000 -5.452) 13.937 6.967 ( 2.504 0.000 1.674) 3.012 6.994 ( -2.269 0.000 -1.246) 2.589 7.034 ( 2.237 0.000 -0.341) 2.263 7.041 ( 4.275 0.000 -1.182) 4.436 7.274 ( -4.019 0.000 3.697) 5.461 7.320 ( 0.310 0.000 -1.233) 1.272 7.355 ( -0.424 0.000 4.035) 4.057 7.422 ( 6.355 0.000 -3.031) 7.041 7.672 ( -0.246 0.000 -3.147) 3.157 7.679 ( -3.957 0.000 -2.362) 4.608 7.756 ( 0.941 0.000 1.625) 1.878 7.804 ( 0.734 0.000 -2.388) 2.499 8.001 ( -1.158 0.000 5.696) 5.813 8.078 ( -0.674 0.000 -1.917) 2.032 8.210 ( 2.566 0.000 0.535) 2.622 8.224 ( -3.179 0.000 -1.731) 3.620 8.374 ( 5.385 0.000 5.312) 7.565 8.460 ( -4.490 0.000 -3.881) 5.935 8.674 ( 1.885 0.000 2.363) 3.023 8.725 ( -2.085 0.000 -2.862) 3.542 11.971 ( -0.274 0.000 0.049) 0.278 11.973 ( 0.254 0.000 -0.105) 0.275 12.824 ( -2.567 0.000 1.621) 3.036 12.857 ( 2.893 0.000 -1.859) 3.439 13.931 ( 1.150 0.000 1.378) 1.795 13.949 ( -0.323 0.000 -0.639) 0.716 14.107 ( 1.832 0.000 0.164) 1.840 14.114 ( -0.010 0.000 -0.685) 0.685 14.187 ( 4.269 0.000 0.039) 4.269 14.199 ( -8.632 0.000 -1.444) 8.751 14.288 ( -0.459 0.000 2.024) 2.075 14.294 ( 2.007 0.000 1.560) 2.542 14.368 ( 0.878 0.000 -0.307) 0.930 14.370 ( -4.213 0.000 -1.256) 4.396 14.459 ( -2.478 0.000 0.244) 2.490 14.470 ( 1.753 0.000 -0.490) 1.820 14.600 ( -0.279 0.000 1.236) 1.268 14.639 ( 1.165 0.000 -2.676) 2.918 14.831 ( 9.211 0.000 9.664) 13.351 15.011 ( -9.363 0.000 -9.314) 13.206 17.709 ( 3.309 0.000 18.552) 18.845 18.040 ( 0.126 0.000 -15.753) 15.753 18.315 ( 5.063 0.000 3.042) 5.907 18.391 ( -8.425 0.000 -5.335) 9.972 18.606 ( 0.191 0.000 2.796) 2.803 18.668 ( 1.329 0.000 -3.766) 3.994 18.956 ( 1.231 0.000 2.308) 2.616 18.983 ( -0.000 0.000 -0.600) 0.600 ======================= Grid point 118 (52/80) ======================= q-point: ( 0.17 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -5.906 0.000 -24.886) 25.577 1.445 ( -7.472 0.000 28.066) 29.044 1.486 ( 3.500 0.000 27.608) 27.829 1.599 ( -1.999 0.000 -2.975) 3.584 1.714 ( 6.008 0.000 -3.661) 7.035 1.848 ( -8.001 0.000 3.048) 8.562 1.938 ( 13.657 0.000 -12.565) 18.558 2.163 ( -0.221 0.000 -5.961) 5.965 2.290 ( -3.954 0.000 1.623) 4.274 2.297 ( -3.202 0.000 4.357) 5.407 2.321 ( 10.730 0.000 4.651) 11.694 2.402 ( 5.849 0.000 -2.352) 6.304 2.584 ( 3.682 0.000 5.984) 7.025 2.621 ( 3.741 0.000 1.883) 4.189 2.659 ( -0.484 0.000 -0.307) 0.573 2.796 ( 8.341 0.000 -18.057) 19.890 2.847 ( -0.094 0.000 -2.694) 2.695 2.933 ( 5.045 0.000 0.927) 5.130 3.155 ( -12.038 0.000 -7.726) 14.304 3.238 ( -4.946 0.000 3.487) 6.051 3.259 ( 0.660 0.000 4.014) 4.068 3.386 ( -0.961 0.000 -5.472) 5.556 3.437 ( 4.175 0.000 -6.455) 7.687 3.614 ( 9.653 0.000 11.562) 15.062 3.627 ( -5.544 0.000 0.168) 5.547 3.812 ( 1.957 0.000 -1.086) 2.238 3.815 ( -0.798 0.000 -1.998) 2.151 3.933 ( -4.752 0.000 -3.657) 5.996 3.996 ( -6.344 0.000 -0.127) 6.345 4.090 ( -0.628 0.000 7.026) 7.054 4.240 ( 2.898 0.000 2.111) 3.586 4.259 ( -1.527 0.000 -0.593) 1.638 4.309 ( 0.671 0.000 -5.135) 5.179 4.432 ( -9.445 0.000 -2.611) 9.800 4.450 ( 0.563 0.000 3.252) 3.301 4.549 ( 0.500 0.000 11.652) 11.663 4.626 ( -4.542 0.000 -0.374) 4.557 4.629 ( 1.172 0.000 -3.778) 3.956 4.732 ( 0.970 0.000 6.060) 6.138 4.781 ( -1.959 0.000 0.799) 2.116 4.934 ( 7.980 0.000 6.787) 10.476 4.970 ( -2.421 0.000 -2.170) 3.251 5.115 ( -5.643 0.000 -6.047) 8.271 5.158 ( 0.529 0.000 -9.786) 9.801 5.172 ( -7.773 0.000 -1.582) 7.932 5.376 ( -6.493 0.000 1.907) 6.767 5.426 ( 0.255 0.000 2.441) 2.454 5.479 ( 4.628 0.000 1.544) 4.879 5.575 ( 1.379 0.000 -0.859) 1.625 5.747 ( 4.321 0.000 -3.321) 5.450 5.868 ( -0.752 0.000 -0.276) 0.801 6.021 ( 1.904 0.000 -2.522) 3.160 6.228 ( -12.268 0.000 3.892) 12.871 6.234 ( 1.648 0.000 7.163) 7.350 6.300 ( 8.296 0.000 -8.168) 11.642 6.401 ( -20.855 0.000 2.689) 21.027 6.659 ( 7.677 0.000 -7.051) 10.424 6.748 ( -4.739 0.000 2.482) 5.349 6.868 ( -1.822 0.000 6.392) 6.646 6.898 ( 3.962 0.000 -3.082) 5.020 6.926 ( -2.385 0.000 -2.457) 3.424 7.025 ( 0.441 0.000 -0.918) 1.019 7.090 ( 1.671 0.000 -4.330) 4.642 7.118 ( 6.244 0.000 2.494) 6.724 7.281 ( -5.037 0.000 1.156) 5.168 7.312 ( 5.330 0.000 3.602) 6.433 7.426 ( 6.561 0.000 -5.033) 8.269 7.477 ( 3.910 0.000 -6.447) 7.540 7.658 ( 2.609 0.000 3.840) 4.643 7.679 ( -0.661 0.000 1.856) 1.970 7.791 ( 0.955 0.000 0.889) 1.305 7.821 ( 4.566 0.000 -1.083) 4.693 8.023 ( -2.384 0.000 5.723) 6.200 8.031 ( -2.003 0.000 -3.290) 3.852 8.140 ( -4.815 0.000 1.071) 4.933 8.247 ( 0.602 0.000 0.645) 0.882 8.303 ( -7.378 0.000 -4.981) 8.902 8.487 ( 1.904 0.000 3.180) 3.706 8.629 ( -4.372 0.000 -2.796) 5.190 8.699 ( -1.886 0.000 3.477) 3.955 11.971 ( 0.149 0.000 0.120) 0.191 11.981 ( 0.639 0.000 -0.084) 0.645 12.812 ( -0.646 0.000 2.456) 2.539 12.907 ( 4.238 0.000 -2.659) 5.003 13.934 ( 0.029 0.000 -1.375) 1.375 13.971 ( 2.346 0.000 -0.056) 2.347 14.062 ( -1.843 0.000 -1.028) 2.110 14.106 ( -0.772 0.000 -0.725) 1.059 14.131 ( -0.662 0.000 1.270) 1.432 14.249 ( 0.385 0.000 1.657) 1.701 14.287 ( -0.130 0.000 -0.085) 0.156 14.292 ( -1.411 0.000 -2.417) 2.799 14.380 ( 0.997 0.000 1.838) 2.091 14.426 ( 1.892 0.000 2.852) 3.423 14.474 ( 3.198 0.000 -1.050) 3.366 14.574 ( 4.556 0.000 1.184) 4.707 14.640 ( 7.402 0.000 3.811) 8.326 14.646 ( 2.422 0.000 -2.196) 3.269 14.725 ( -10.318 0.000 -8.489) 13.362 15.063 ( 4.869 0.000 8.203) 9.539 17.852 ( -0.029 0.000 -18.994) 18.994 17.936 ( 3.477 0.000 14.142) 14.563 18.251 ( -2.878 0.000 -1.245) 3.135 18.451 ( 2.098 0.000 6.411) 6.745 18.597 ( -3.200 0.000 1.339) 3.469 18.619 ( -0.739 0.000 -3.125) 3.211 18.903 ( -7.871 0.000 -0.057) 7.871 18.910 ( -5.203 0.000 -1.476) 5.409 ======================= Grid point 119 (53/80) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 20.844 0.000 -3.039) 21.064 1.544 ( -9.575 0.000 22.087) 24.073 1.606 ( 3.977 0.000 0.084) 3.978 1.702 ( -6.773 0.000 15.298) 16.730 1.769 ( 9.209 0.000 -8.220) 12.344 1.840 ( -0.395 0.000 8.933) 8.942 2.019 ( -3.163 0.000 7.311) 7.966 2.130 ( 6.876 0.000 -8.691) 11.082 2.222 ( -5.276 0.000 4.072) 6.665 2.291 ( 2.331 0.000 -5.309) 5.798 2.380 ( -1.280 0.000 -2.320) 2.650 2.422 ( 3.226 0.000 -4.897) 5.865 2.594 ( -2.652 0.000 -3.621) 4.488 2.716 ( 0.509 0.000 1.821) 1.891 2.741 ( -2.610 0.000 -5.718) 6.285 2.765 ( 8.016 0.000 -13.049) 15.315 2.853 ( -0.557 0.000 0.547) 0.780 2.944 ( 4.738 0.000 -5.851) 7.529 3.109 ( 6.693 0.000 4.446) 8.035 3.244 ( -3.164 0.000 -0.647) 3.229 3.272 ( 0.972 0.000 7.889) 7.949 3.367 ( 8.442 0.000 2.486) 8.800 3.468 ( 1.937 0.000 -2.561) 3.211 3.609 ( 5.201 0.000 -1.928) 5.547 3.703 ( -8.071 0.000 -8.681) 11.853 3.717 ( -12.357 0.000 -1.931) 12.507 3.804 ( -5.724 0.000 -1.769) 5.991 3.875 ( 3.103 0.000 6.783) 7.459 3.901 ( 4.509 0.000 0.498) 4.536 4.064 ( -15.197 0.000 -6.232) 16.426 4.161 ( 0.418 0.000 5.530) 5.546 4.175 ( -5.338 0.000 -0.054) 5.338 4.394 ( 6.578 0.000 3.867) 7.630 4.439 ( -3.563 0.000 1.137) 3.740 4.449 ( 5.397 0.000 7.228) 9.021 4.522 ( 0.118 0.000 2.805) 2.807 4.695 ( -2.134 0.000 9.171) 9.416 4.700 ( -5.386 0.000 -2.299) 5.856 4.748 ( 7.160 0.000 8.288) 10.953 4.829 ( 2.928 0.000 2.155) 3.636 4.910 ( -4.188 0.000 -2.722) 4.995 4.974 ( -7.009 0.000 -6.462) 9.534 5.037 ( -2.107 0.000 -10.075) 10.293 5.040 ( 2.695 0.000 2.661) 3.787 5.136 ( 4.920 0.000 5.452) 7.344 5.240 ( -5.678 0.000 0.245) 5.684 5.363 ( -3.890 0.000 -5.687) 6.890 5.540 ( -0.497 0.000 1.097) 1.204 5.585 ( 1.057 0.000 -2.594) 2.801 5.716 ( -8.644 0.000 -3.534) 9.338 5.733 ( 0.004 0.000 -13.261) 13.261 5.929 ( -11.239 0.000 -2.126) 11.438 6.149 ( 5.815 0.000 -2.254) 6.236 6.291 ( -0.290 0.000 2.459) 2.476 6.328 ( 3.013 0.000 11.956) 12.329 6.437 ( 9.249 0.000 -0.277) 9.253 6.689 ( -2.412 0.000 3.507) 4.256 6.761 ( 0.565 0.000 5.262) 5.293 6.817 ( -0.974 0.000 -9.301) 9.352 6.865 ( 1.611 0.000 -6.332) 6.534 6.945 ( -0.417 0.000 4.997) 5.014 7.006 ( -2.688 0.000 -0.067) 2.689 7.071 ( 2.143 0.000 -4.554) 5.033 7.163 ( -3.903 0.000 -5.418) 6.677 7.216 ( 0.400 0.000 4.719) 4.736 7.442 ( 1.387 0.000 -6.854) 6.993 7.495 ( 7.515 0.000 4.182) 8.600 7.547 ( 9.304 0.000 1.527) 9.429 7.656 ( -1.270 0.000 -1.383) 1.878 7.729 ( -0.673 0.000 -3.191) 3.261 7.810 ( 2.444 0.000 0.786) 2.567 7.915 ( 0.857 0.000 4.199) 4.285 7.942 ( -3.572 0.000 -1.953) 4.071 8.044 ( 0.729 0.000 1.925) 2.058 8.100 ( -7.309 0.000 -4.311) 8.485 8.105 ( -1.415 0.000 3.497) 3.773 8.260 ( -0.294 0.000 1.016) 1.057 8.461 ( -4.595 0.000 -2.406) 5.187 8.589 ( 1.175 0.000 0.889) 1.474 8.679 ( -3.462 0.000 2.708) 4.395 11.977 ( 0.221 0.000 0.241) 0.327 11.990 ( 0.394 0.000 -0.206) 0.445 12.845 ( 0.080 0.000 4.747) 4.748 12.955 ( 3.814 0.000 -2.654) 4.647 13.935 ( 1.372 0.000 -0.589) 1.493 14.019 ( 3.424 0.000 -0.661) 3.487 14.041 ( -0.386 0.000 -1.070) 1.138 14.080 ( -1.009 0.000 -0.602) 1.175 14.137 ( -0.594 0.000 1.048) 1.205 14.239 ( -0.480 0.000 -2.818) 2.859 14.272 ( -0.105 0.000 0.602) 0.611 14.282 ( -0.162 0.000 -0.570) 0.593 14.387 ( -0.708 0.000 0.620) 0.941 14.466 ( -4.511 0.000 -4.671) 6.494 14.476 ( 0.415 0.000 2.209) 2.247 14.551 ( 2.493 0.000 -0.704) 2.590 14.581 ( -0.893 0.000 -0.527) 1.037 14.745 ( 7.708 0.000 1.780) 7.910 14.801 ( -0.456 0.000 1.100) 1.191 15.131 ( -2.524 0.000 2.108) 3.288 17.797 ( 11.012 0.000 -9.006) 14.225 18.105 ( 2.582 0.000 8.541) 8.923 18.245 ( 2.267 0.000 -0.144) 2.272 18.374 ( -12.327 0.000 2.155) 12.514 18.539 ( -2.818 0.000 -0.382) 2.843 18.680 ( 1.746 0.000 0.574) 1.838 18.717 ( -6.582 0.000 -1.080) 6.670 18.818 ( -3.773 0.000 0.489) 3.804 ======================= Grid point 120 (54/80) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -15.042 0.000 20.541) 25.460 1.573 ( -20.754 0.000 14.442) 25.284 1.673 ( 13.217 0.000 2.574) 13.465 1.797 ( 20.167 0.000 13.358) 24.190 1.837 ( 11.587 0.000 -15.779) 19.577 1.924 ( -3.175 0.000 11.195) 11.636 2.028 ( -15.548 0.000 -6.888) 17.006 2.086 ( -2.730 0.000 -1.333) 3.038 2.188 ( -1.345 0.000 -2.743) 3.055 2.212 ( -1.291 0.000 5.387) 5.539 2.394 ( 4.663 0.000 -3.795) 6.012 2.416 ( 0.853 0.000 -5.370) 5.438 2.523 ( -2.895 0.000 3.262) 4.362 2.601 ( -6.010 0.000 2.247) 6.417 2.695 ( -0.966 0.000 -10.677) 10.721 2.699 ( 5.224 0.000 -5.773) 7.786 2.861 ( 0.587 0.000 1.316) 1.441 2.981 ( 7.274 0.000 -11.715) 13.790 3.234 ( 7.965 0.000 0.266) 7.970 3.274 ( -5.918 0.000 -1.941) 6.228 3.424 ( 6.784 0.000 6.683) 9.523 3.458 ( -8.457 0.000 2.593) 8.845 3.505 ( 6.814 0.000 -0.954) 6.880 3.518 ( 1.992 0.000 -3.749) 4.246 3.606 ( -0.620 0.000 1.383) 1.516 3.658 ( -4.962 0.000 -3.285) 5.951 3.699 ( 4.858 0.000 -2.218) 5.340 3.732 ( -7.719 0.000 -4.871) 9.128 3.926 ( 0.066 0.000 1.571) 1.572 3.970 ( 2.431 0.000 -1.353) 2.782 4.175 ( 2.965 0.000 2.283) 3.742 4.179 ( -2.876 0.000 1.843) 3.416 4.456 ( 0.709 0.000 6.321) 6.361 4.504 ( -2.268 0.000 1.519) 2.730 4.571 ( 0.562 0.000 4.089) 4.128 4.582 ( 7.732 0.000 3.629) 8.541 4.676 ( -3.333 0.000 0.406) 3.358 4.685 ( -0.239 0.000 2.385) 2.397 4.780 ( -1.229 0.000 -2.708) 2.974 4.829 ( -3.296 0.000 -3.707) 4.961 4.834 ( -2.109 0.000 -0.602) 2.193 4.892 ( -1.945 0.000 -5.875) 6.189 5.000 ( 6.002 0.000 11.301) 12.795 5.173 ( 5.650 0.000 3.212) 6.499 5.186 ( 1.333 0.000 -4.357) 4.557 5.227 ( -5.419 0.000 -6.369) 8.362 5.281 ( 0.937 0.000 9.684) 9.729 5.468 ( -2.413 0.000 -5.414) 5.928 5.554 ( -1.931 0.000 -1.420) 2.397 5.577 ( -1.306 0.000 -3.647) 3.873 5.638 ( -2.359 0.000 -1.635) 2.870 5.735 ( -2.354 0.000 -5.403) 5.894 6.253 ( 4.701 0.000 0.559) 4.734 6.257 ( -4.741 0.000 0.600) 4.779 6.504 ( -0.629 0.000 8.351) 8.375 6.608 ( 8.023 0.000 2.247) 8.332 6.669 ( -0.197 0.000 -0.306) 0.364 6.684 ( -2.739 0.000 -10.699) 11.044 6.814 ( 2.961 0.000 3.934) 4.924 6.907 ( 1.436 0.000 5.329) 5.519 6.917 ( -5.173 0.000 -1.428) 5.367 6.941 ( -6.286 0.000 3.567) 7.228 7.056 ( 0.329 0.000 -6.845) 6.853 7.097 ( 7.150 0.000 -7.179) 10.132 7.272 ( 0.232 0.000 5.641) 5.645 7.367 ( -2.409 0.000 -4.184) 4.828 7.628 ( 0.252 0.000 -1.213) 1.239 7.638 ( -3.320 0.000 -3.035) 4.498 7.674 ( 6.343 0.000 3.118) 7.068 7.737 ( 2.018 0.000 -0.648) 2.119 7.796 ( 3.989 0.000 0.640) 4.040 7.848 ( -10.296 0.000 -2.560) 10.610 7.924 ( -4.369 0.000 3.274) 5.460 7.964 ( 5.350 0.000 -0.270) 5.357 8.108 ( -3.785 0.000 3.445) 5.117 8.157 ( 4.183 0.000 -1.657) 4.499 8.292 ( 3.702 0.000 2.542) 4.491 8.341 ( -4.277 0.000 -3.019) 5.236 8.631 ( -3.730 0.000 1.466) 4.007 8.642 ( 3.535 0.000 0.475) 3.567 11.983 ( 0.078 0.000 0.367) 0.376 11.990 ( -0.090 0.000 -0.353) 0.365 12.888 ( -1.293 0.000 5.413) 5.565 12.984 ( 2.672 0.000 -4.301) 5.064 13.972 ( 1.864 0.000 1.067) 2.148 13.999 ( -2.740 0.000 -1.792) 3.274 14.070 ( 0.633 0.000 -0.361) 0.728 14.074 ( 1.761 0.000 -0.175) 1.770 14.128 ( 0.472 0.000 0.665) 0.816 14.193 ( -0.489 0.000 -5.032) 5.056 14.276 ( -0.193 0.000 0.504) 0.539 14.277 ( -0.044 0.000 0.625) 0.626 14.376 ( -1.031 0.000 0.876) 1.353 14.387 ( -0.965 0.000 -0.149) 0.976 14.527 ( 2.970 0.000 0.453) 3.004 14.551 ( -1.027 0.000 -1.949) 2.203 14.632 ( 5.997 0.000 1.187) 6.113 14.672 ( -7.913 0.000 -3.184) 8.530 14.945 ( 9.245 0.000 5.423) 10.718 15.020 ( -9.039 0.000 -2.667) 9.425 18.023 ( -19.067 0.000 1.594) 19.134 18.039 ( 16.747 0.000 -0.071) 16.747 18.265 ( -0.272 0.000 3.164) 3.175 18.306 ( 4.215 0.000 -1.150) 4.369 18.512 ( 1.332 0.000 -0.092) 1.335 18.541 ( -3.311 0.000 -2.997) 4.466 18.778 ( -2.264 0.000 1.524) 2.729 18.782 ( 2.610 0.000 1.046) 2.812 ======================= Grid point 121 (55/80) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -32.787 0.000 -3.027) 32.927 1.362 ( -19.361 0.000 24.423) 31.166 1.485 ( -23.351 0.000 9.448) 25.190 1.804 ( -1.721 0.000 5.986) 6.228 1.903 ( 8.784 0.000 -15.023) 17.403 1.958 ( -1.795 0.000 9.317) 9.489 2.016 ( -0.844 0.000 -8.847) 8.887 2.191 ( -3.470 0.000 2.180) 4.098 2.211 ( 0.126 0.000 5.049) 5.051 2.254 ( 11.053 0.000 -0.608) 11.070 2.350 ( -4.116 0.000 0.037) 4.116 2.392 ( 2.481 0.000 -3.840) 4.572 2.529 ( -4.591 0.000 7.708) 8.972 2.593 ( 1.372 0.000 -5.222) 5.399 2.706 ( 7.584 0.000 2.463) 7.974 2.747 ( 4.059 0.000 -4.614) 6.145 2.870 ( -1.369 0.000 0.665) 1.522 2.989 ( 7.026 0.000 -14.116) 15.768 3.177 ( -0.988 0.000 -2.713) 2.887 3.299 ( -6.290 0.000 -3.102) 7.013 3.339 ( -4.343 0.000 4.267) 6.088 3.440 ( 0.969 0.000 -7.470) 7.532 3.458 ( -1.209 0.000 -0.832) 1.468 3.578 ( -5.195 0.000 0.514) 5.220 3.594 ( 7.432 0.000 0.667) 7.462 3.670 ( 7.253 0.000 2.828) 7.785 3.749 ( 7.378 0.000 1.902) 7.619 3.899 ( 11.345 0.000 3.678) 11.926 3.981 ( -0.592 0.000 -6.259) 6.287 3.983 ( 2.776 0.000 1.335) 3.080 4.152 ( 0.611 0.000 2.821) 2.886 4.250 ( 3.131 0.000 -0.851) 3.245 4.467 ( -0.411 0.000 -2.047) 2.088 4.477 ( -4.294 0.000 -3.159) 5.331 4.528 ( -0.666 0.000 -0.860) 1.087 4.573 ( -1.914 0.000 -2.433) 3.095 4.697 ( -1.865 0.000 -3.225) 3.725 4.785 ( 1.242 0.000 -2.378) 2.683 4.791 ( 4.905 0.000 8.111) 9.479 4.804 ( 1.376 0.000 11.044) 11.129 4.873 ( 1.609 0.000 0.444) 1.669 4.909 ( 7.616 0.000 -1.430) 7.749 4.970 ( -6.805 0.000 -11.462) 13.330 5.119 ( -5.602 0.000 -5.060) 7.549 5.149 ( 3.023 0.000 8.430) 8.956 5.257 ( 1.777 0.000 -0.985) 2.032 5.350 ( -1.658 0.000 -10.198) 10.332 5.421 ( 1.318 0.000 13.144) 13.209 5.521 ( -2.346 0.000 4.625) 5.186 5.551 ( -1.009 0.000 1.026) 1.439 5.754 ( 8.136 0.000 15.098) 17.151 5.774 ( 9.517 0.000 -4.123) 10.371 6.134 ( -8.352 0.000 -0.401) 8.361 6.308 ( 0.775 0.000 0.366) 0.857 6.419 ( -10.956 0.000 3.706) 11.566 6.508 ( -5.199 0.000 -9.121) 10.499 6.717 ( 4.314 0.000 -1.606) 4.603 6.748 ( 1.645 0.000 -0.030) 1.645 6.824 ( 0.159 0.000 -3.431) 3.435 6.841 ( -2.312 0.000 0.130) 2.315 6.905 ( 0.374 0.000 4.695) 4.710 7.001 ( 2.223 0.000 7.336) 7.666 7.028 ( 0.197 0.000 -2.631) 2.639 7.165 ( 5.699 0.000 -7.332) 9.287 7.307 ( 1.425 0.000 -3.804) 4.062 7.320 ( -1.573 0.000 6.300) 6.494 7.528 ( -7.954 0.000 -0.526) 7.972 7.593 ( -10.798 0.000 -3.727) 11.423 7.660 ( 2.061 0.000 3.030) 3.665 7.684 ( 2.131 0.000 -3.841) 4.392 7.790 ( 0.345 0.000 3.019) 3.039 7.912 ( 0.337 0.000 2.029) 2.057 7.969 ( -4.511 0.000 -0.556) 4.545 8.007 ( 5.372 0.000 4.431) 6.964 8.067 ( 2.914 0.000 -0.342) 2.934 8.159 ( 0.054 0.000 -2.295) 2.295 8.286 ( 0.191 0.000 -1.682) 1.693 8.421 ( 5.891 0.000 1.941) 6.202 8.587 ( -2.055 0.000 1.113) 2.337 8.712 ( 3.740 0.000 -0.652) 3.796 11.982 ( -0.320 0.000 -0.312) 0.447 11.985 ( -0.274 0.000 0.325) 0.425 12.894 ( -2.970 0.000 3.881) 4.887 12.957 ( 0.164 0.000 -6.851) 6.853 13.932 ( -2.574 0.000 -0.362) 2.599 13.998 ( -0.716 0.000 0.954) 1.193 14.065 ( -0.833 0.000 -2.426) 2.565 14.088 ( 1.626 0.000 -1.503) 2.214 14.155 ( 1.366 0.000 -1.843) 2.293 14.176 ( 1.648 0.000 3.129) 3.536 14.277 ( -0.519 0.000 0.041) 0.521 14.280 ( 0.144 0.000 0.155) 0.212 14.386 ( -0.143 0.000 0.866) 0.878 14.393 ( 1.697 0.000 3.314) 3.723 14.514 ( 0.040 0.000 -2.105) 2.105 14.557 ( -2.654 0.000 -1.147) 2.891 14.583 ( 3.130 0.000 -0.878) 3.251 14.785 ( 6.577 0.000 2.692) 7.106 14.793 ( -11.021 0.000 -3.248) 11.490 15.133 ( 5.666 0.000 2.206) 6.080 17.674 ( -18.815 0.000 4.092) 19.255 18.218 ( 1.713 0.000 -3.307) 3.725 18.248 ( -2.272 0.000 -0.266) 2.287 18.402 ( 8.876 0.000 -1.006) 8.933 18.537 ( 3.162 0.000 -0.355) 3.182 18.639 ( 9.476 0.000 2.787) 9.878 18.742 ( -1.315 0.000 -1.357) 1.890 18.819 ( 1.438 0.000 0.274) 1.464 ======================= Grid point 122 (56/80) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -9.341 0.000 19.482) 21.605 1.286 ( -17.501 0.000 30.433) 35.106 1.337 ( -13.416 0.000 25.213) 28.560 1.747 ( -7.716 0.000 3.107) 8.319 1.849 ( 2.677 0.000 -10.188) 10.534 1.968 ( -11.533 0.000 -4.303) 12.310 1.990 ( 8.147 0.000 -14.122) 16.303 2.058 ( 3.649 0.000 -0.796) 3.735 2.264 ( 0.011 0.000 5.251) 5.251 2.273 ( -5.330 0.000 4.202) 6.787 2.372 ( -4.672 0.000 -0.934) 4.765 2.414 ( 3.049 0.000 -4.161) 5.159 2.536 ( 0.933 0.000 5.455) 5.534 2.613 ( 3.781 0.000 2.435) 4.497 2.727 ( -3.203 0.000 -6.893) 7.601 2.749 ( -0.802 0.000 -5.588) 5.646 2.851 ( -1.260 0.000 6.979) 7.092 2.948 ( 3.758 0.000 -14.472) 14.952 3.113 ( 0.794 0.000 -1.353) 1.569 3.280 ( -0.573 0.000 0.268) 0.633 3.334 ( 4.643 0.000 0.642) 4.687 3.389 ( -3.680 0.000 -1.068) 3.832 3.400 ( 5.179 0.000 -11.114) 12.262 3.591 ( 5.157 0.000 4.033) 6.546 3.729 ( -1.157 0.000 1.328) 1.762 3.821 ( -3.666 0.000 -2.794) 4.609 3.851 ( -1.659 0.000 -3.738) 4.090 3.933 ( 8.687 0.000 2.813) 9.131 3.933 ( 6.422 0.000 -2.414) 6.860 4.147 ( 2.152 0.000 4.217) 4.734 4.210 ( -0.374 0.000 4.588) 4.603 4.246 ( 0.879 0.000 -2.300) 2.462 4.326 ( -4.494 0.000 -7.286) 8.560 4.490 ( 2.820 0.000 -7.063) 7.605 4.517 ( 4.415 0.000 -1.927) 4.817 4.543 ( 0.879 0.000 1.596) 1.822 4.649 ( -8.007 0.000 -4.311) 9.093 4.764 ( 2.035 0.000 0.896) 2.224 4.778 ( 2.841 0.000 -1.232) 3.096 4.821 ( -6.412 0.000 -8.416) 10.581 4.942 ( -2.248 0.000 3.610) 4.252 4.972 ( 3.264 0.000 7.380) 8.069 4.991 ( 6.949 0.000 4.916) 8.512 5.109 ( 8.247 0.000 3.711) 9.043 5.114 ( -6.018 0.000 -12.138) 13.548 5.357 ( 7.468 0.000 3.238) 8.139 5.415 ( 6.279 0.000 5.678) 8.466 5.451 ( -4.944 0.000 4.556) 6.723 5.529 ( -2.565 0.000 2.622) 3.668 5.600 ( -2.182 0.000 11.587) 11.790 5.918 ( 7.847 0.000 -4.170) 8.886 5.970 ( -4.952 0.000 1.195) 5.094 6.091 ( 2.048 0.000 10.508) 10.706 6.299 ( -1.746 0.000 0.458) 1.805 6.315 ( 3.936 0.000 3.854) 5.509 6.406 ( 3.140 0.000 -1.864) 3.652 6.676 ( -0.907 0.000 -4.341) 4.435 6.779 ( 1.556 0.000 3.234) 3.589 6.808 ( 2.572 0.000 -4.452) 5.141 6.929 ( 5.999 0.000 -2.316) 6.430 6.934 ( 0.565 0.000 1.568) 1.667 7.000 ( -3.065 0.000 4.133) 5.146 7.068 ( -0.749 0.000 -0.267) 0.796 7.127 ( -3.610 0.000 -2.176) 4.215 7.328 ( -0.246 0.000 -1.837) 1.853 7.339 ( -2.442 0.000 4.899) 5.474 7.380 ( -5.606 0.000 -0.832) 5.668 7.388 ( -2.845 0.000 -4.915) 5.679 7.718 ( 3.238 0.000 -1.927) 3.767 7.732 ( 0.214 0.000 -1.443) 1.459 7.794 ( 0.783 0.000 0.603) 0.988 7.806 ( -8.607 0.000 0.623) 8.629 7.954 ( 0.410 0.000 4.423) 4.442 8.093 ( 1.177 0.000 -1.812) 2.161 8.160 ( 2.290 0.000 -0.915) 2.466 8.203 ( 7.418 0.000 5.236) 9.080 8.274 ( -0.244 0.000 -2.116) 2.130 8.513 ( 1.815 0.000 0.110) 1.819 8.594 ( 2.432 0.000 1.506) 2.861 8.751 ( 1.668 0.000 -2.042) 2.636 11.975 ( -0.206 0.000 -0.199) 0.286 11.979 ( -0.557 0.000 0.135) 0.573 12.863 ( -3.449 0.000 2.294) 4.142 12.876 ( -1.510 0.000 -4.784) 5.016 13.910 ( -0.380 0.000 1.154) 1.214 13.964 ( -1.664 0.000 -0.036) 1.665 14.060 ( 1.866 0.000 -0.577) 1.954 14.106 ( 1.302 0.000 -0.800) 1.528 14.163 ( 0.797 0.000 -1.463) 1.666 14.239 ( 2.054 0.000 2.889) 3.544 14.272 ( -0.306 0.000 1.033) 1.078 14.278 ( -0.047 0.000 -1.160) 1.161 14.390 ( -0.497 0.000 0.714) 0.870 14.453 ( -0.255 0.000 1.813) 1.831 14.482 ( -3.614 0.000 -3.214) 4.836 14.589 ( 6.299 0.000 4.578) 7.787 14.610 ( 0.381 0.000 -2.749) 2.775 14.627 ( -3.295 0.000 0.792) 3.388 14.737 ( -11.829 0.000 -6.652) 13.571 15.174 ( -0.640 0.000 -3.528) 3.586 17.531 ( -5.026 0.000 14.784) 15.615 18.156 ( -0.130 0.000 -9.311) 9.312 18.235 ( 1.491 0.000 0.631) 1.619 18.535 ( 4.891 0.000 0.964) 4.985 18.599 ( -7.191 0.000 -3.906) 8.183 18.616 ( 5.552 0.000 -0.390) 5.565 18.868 ( 2.935 0.000 2.848) 4.090 18.893 ( 9.498 0.000 0.915) 9.542 ======================= Grid point 123 (57/80) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -1.376 1.333 24.783) 24.857 1.303 ( 12.815 5.571 31.048) 34.048 1.531 ( -2.651 -2.466 -18.085) 18.444 1.721 ( -4.974 11.533 3.773) 13.114 1.822 ( -7.027 11.844 1.303) 13.833 1.906 ( 3.915 4.937 -10.618) 12.347 2.033 ( 3.343 0.804 4.426) 5.604 2.104 ( -12.409 3.261 -4.464) 13.585 2.259 ( 5.688 3.646 2.074) 7.068 2.307 ( 0.882 5.262 -5.919) 7.969 2.408 ( -2.464 11.209 5.972) 12.937 2.525 ( 0.570 11.271 3.127) 11.711 2.573 ( 1.220 0.267 -2.067) 2.415 2.678 ( -4.212 4.367 -5.238) 8.015 2.708 ( 1.117 7.578 3.442) 8.398 2.809 ( 4.531 2.949 -0.545) 5.434 2.936 ( 1.011 5.501 -2.084) 5.969 2.966 ( 1.286 8.302 -8.198) 11.738 3.177 ( -0.320 -1.199 3.828) 4.024 3.222 ( -0.298 -1.940 -0.764) 2.106 3.300 ( 6.785 -1.457 3.082) 7.593 3.478 ( -4.999 1.660 -12.158) 13.250 3.503 ( -1.113 3.815 1.278) 4.174 3.560 ( -0.648 4.070 -4.449) 6.065 3.700 ( -4.522 -1.224 1.015) 4.793 3.743 ( 5.487 0.663 -3.085) 6.329 3.835 ( 5.002 -1.082 9.937) 11.178 3.990 ( 2.429 -2.418 -2.277) 4.115 4.060 ( -5.122 3.824 -3.741) 7.407 4.095 ( -3.849 0.740 -6.820) 7.866 4.192 ( 0.063 -2.513 4.515) 5.168 4.224 ( -0.739 -2.091 0.448) 2.262 4.319 ( 4.673 0.948 7.225) 8.657 4.430 ( -2.417 -1.659 -4.661) 5.506 4.435 ( -1.574 -4.304 0.062) 4.583 4.529 ( -6.122 -4.212 -7.182) 10.334 4.625 ( 0.409 -0.982 6.198) 6.289 4.689 ( 3.927 0.949 1.596) 4.344 4.723 ( 2.137 0.653 -1.764) 2.847 4.799 ( -5.870 0.346 -8.266) 10.145 4.957 ( -3.387 2.309 3.000) 5.080 4.995 ( 0.406 -0.678 -0.250) 0.829 5.133 ( 4.221 1.611 1.347) 4.714 5.144 ( 5.963 -2.521 1.276) 6.598 5.263 ( 0.114 -10.134 1.564) 10.255 5.280 ( 3.097 -3.169 0.746) 4.493 5.362 ( -4.767 -0.606 1.048) 4.918 5.368 ( -0.409 -2.356 1.409) 2.776 5.616 ( 4.216 -1.348 3.665) 5.747 5.667 ( -3.336 2.451 -1.470) 4.392 5.982 ( -7.684 2.930 2.886) 8.715 6.017 ( 3.049 3.509 -0.439) 4.670 6.115 ( 1.681 0.901 11.831) 11.983 6.296 ( -1.930 -0.812 0.111) 2.097 6.365 ( -2.870 -4.656 -4.954) 7.379 6.416 ( 13.783 -14.233 -3.899) 20.193 6.674 ( -5.627 -5.515 1.778) 8.077 6.700 ( -1.243 -6.199 -0.469) 6.340 6.786 ( 3.395 -0.306 0.463) 3.440 6.868 ( -0.817 -3.239 -6.496) 7.305 6.923 ( -0.242 -3.981 0.051) 3.988 6.936 ( 0.180 -2.815 -0.275) 2.834 7.015 ( 0.054 -1.039 2.150) 2.389 7.089 ( 3.040 1.915 -2.757) 4.529 7.194 ( -2.838 -3.364 7.311) 8.534 7.310 ( 0.952 -2.253 -4.592) 5.203 7.402 ( -4.846 3.309 1.797) 6.137 7.434 ( 5.608 0.917 -2.630) 6.262 7.613 ( 3.897 -1.509 2.419) 4.829 7.679 ( -3.675 -0.431 -4.169) 5.574 7.788 ( 0.395 2.687 1.640) 3.173 7.810 ( -0.431 0.262 -0.577) 0.767 8.085 ( -1.333 5.696 4.112) 7.150 8.131 ( -1.294 4.157 -0.309) 4.365 8.192 ( 1.357 -0.501 1.749) 2.270 8.232 ( -1.734 0.332 -2.415) 2.991 8.395 ( 5.024 2.293 3.626) 6.607 8.460 ( -3.882 0.086 -3.306) 5.100 8.639 ( 1.429 -2.723 3.516) 4.671 8.703 ( -1.533 -1.934 -3.392) 4.195 12.030 ( 0.142 5.180 1.029) 5.283 12.064 ( 0.136 7.069 -2.976) 7.671 12.795 ( -2.315 -2.827 2.134) 4.231 12.838 ( 2.620 -2.134 -2.339) 4.109 13.919 ( 1.396 -0.747 0.904) 1.823 13.932 ( -0.690 -1.384 -0.723) 1.707 14.105 ( 1.988 -0.188 0.553) 2.072 14.121 ( -0.111 0.192 -1.032) 1.055 14.161 ( 1.019 -1.370 0.544) 1.792 14.177 ( -1.649 -1.432 -1.020) 2.410 14.281 ( 3.512 0.325 2.734) 4.463 14.318 ( 1.447 -2.357 -0.181) 2.772 14.341 ( 0.837 -1.328 -0.937) 1.828 14.366 ( -11.543 1.793 -5.143) 12.764 14.532 ( -0.620 8.184 2.619) 8.616 14.576 ( 2.355 8.434 -1.471) 8.879 14.701 ( -1.667 8.480 3.257) 9.236 14.753 ( 0.359 7.397 -1.817) 7.625 14.845 ( 7.305 2.017 8.199) 11.165 15.008 ( -8.615 -0.259 -8.563) 12.150 17.734 ( 4.552 2.614 16.004) 16.843 18.031 ( -1.033 -0.993 -14.893) 14.962 18.294 ( 5.009 -2.016 2.171) 5.820 18.346 ( -8.212 -4.263 -3.499) 9.892 18.551 ( -0.802 -5.800 1.669) 6.089 18.579 ( 2.951 -8.703 -0.998) 9.243 18.866 ( 1.217 -7.644 1.839) 7.956 18.883 ( -0.328 -8.645 -0.054) 8.651 ======================= Grid point 124 (58/80) ======================= q-point: ( 0.17 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -6.039 4.458 -20.334) 21.675 1.330 ( -0.783 -0.316 21.208) 21.225 1.501 ( 2.166 -6.997 -18.338) 19.746 1.752 ( 4.578 15.160 21.088) 26.372 1.845 ( -2.937 0.376 2.939) 4.172 1.866 ( 1.733 11.371 0.750) 11.526 1.975 ( -0.963 4.414 -1.347) 4.714 2.213 ( 5.214 -1.244 6.978) 8.799 2.269 ( 3.223 8.713 -5.236) 10.664 2.382 ( -2.878 6.320 4.492) 8.271 2.416 ( 5.782 3.699 -3.247) 7.594 2.500 ( -1.284 9.085 -6.117) 11.027 2.615 ( 1.824 4.703 0.135) 5.046 2.679 ( 5.838 4.919 7.657) 10.812 2.719 ( -0.947 5.435 -0.848) 5.582 2.842 ( 4.090 5.160 -7.236) 9.784 2.919 ( 0.802 6.500 -3.538) 7.444 2.970 ( 2.678 3.693 0.923) 4.654 3.117 ( -9.393 -3.634 -2.499) 10.377 3.175 ( -2.267 1.195 -2.403) 3.513 3.257 ( -0.697 0.779 -0.279) 1.081 3.483 ( 0.063 5.948 -0.984) 6.029 3.537 ( 5.481 3.613 1.177) 6.669 3.584 ( 0.719 -2.415 3.511) 4.322 3.654 ( 1.285 3.838 2.564) 4.791 3.772 ( -3.566 -0.874 -4.040) 5.459 3.838 ( 1.792 -0.192 -5.891) 6.160 3.914 ( -3.384 -0.468 0.795) 3.508 4.013 ( -6.201 0.173 -0.320) 6.212 4.085 ( -0.329 0.126 8.961) 8.968 4.172 ( -3.965 -3.891 -2.688) 6.171 4.249 ( 3.669 -0.992 1.555) 4.107 4.299 ( -3.135 -1.657 -0.854) 3.647 4.440 ( -2.614 -1.027 -2.773) 3.946 4.456 ( 1.902 0.580 1.930) 2.771 4.527 ( 3.525 -2.580 11.051) 11.883 4.605 ( -2.679 1.687 -2.059) 3.776 4.683 ( -0.205 2.534 -3.334) 4.192 4.700 ( 1.465 -2.306 5.712) 6.331 4.808 ( -3.229 1.744 -0.669) 3.730 4.932 ( 6.330 0.093 5.552) 8.420 4.995 ( -3.105 1.112 1.222) 3.517 5.094 ( -4.550 -2.913 -5.758) 7.895 5.151 ( -6.974 -1.416 -1.443) 7.261 5.162 ( -0.441 -0.819 -7.795) 7.850 5.331 ( 1.896 -4.902 0.879) 5.329 5.379 ( 1.733 -2.769 1.437) 3.569 5.444 ( -0.506 -1.184 -2.549) 2.856 5.544 ( -1.478 -2.544 -0.280) 2.956 5.740 ( 3.425 -1.717 1.432) 4.090 5.923 ( -2.182 2.597 0.923) 3.515 6.030 ( -5.562 -1.121 3.653) 6.749 6.147 ( -3.433 -3.657 -2.582) 5.641 6.255 ( -3.741 -2.235 5.808) 7.261 6.282 ( 1.526 -3.380 -9.167) 9.889 6.360 ( -6.926 -1.643 -2.270) 7.472 6.641 ( 3.034 -0.842 2.074) 3.770 6.671 ( -1.670 -5.954 1.421) 6.345 6.830 ( 2.593 -4.893 -4.121) 6.903 6.864 ( -0.457 -0.643 1.619) 1.801 6.891 ( -1.007 -3.356 -1.209) 3.707 6.965 ( -0.399 -5.047 -0.194) 5.066 7.076 ( 5.980 -1.927 -2.172) 6.648 7.152 ( 3.597 1.795 -3.111) 5.083 7.225 ( -3.521 -2.519 1.973) 4.758 7.308 ( 3.462 -3.032 3.746) 5.934 7.392 ( 6.856 1.418 -1.763) 7.220 7.518 ( 3.773 -0.677 -0.619) 3.883 7.574 ( -1.007 -0.384 -4.460) 4.589 7.714 ( 2.125 0.615 1.938) 2.941 7.792 ( 0.058 -0.413 1.677) 1.728 7.846 ( 3.383 2.641 -0.884) 4.382 8.086 ( -2.703 5.361 2.387) 6.461 8.110 ( -0.989 4.479 2.068) 5.032 8.151 ( -4.163 1.360 -0.896) 4.470 8.244 ( 1.343 0.200 1.719) 2.191 8.325 ( -6.118 2.378 -4.235) 7.812 8.488 ( 1.514 0.358 1.907) 2.461 8.617 ( -3.181 -0.949 -2.556) 4.190 8.678 ( -1.132 -1.847 3.113) 3.793 12.018 ( -1.055 4.731 -0.224) 4.852 12.059 ( 0.434 6.343 -0.026) 6.358 12.785 ( -0.936 -2.641 2.545) 3.786 12.879 ( 4.000 -2.879 -2.899) 5.718 13.913 ( -0.256 -1.555 -0.901) 1.815 13.958 ( 2.293 -1.067 -0.146) 2.533 14.037 ( -3.514 -1.795 -1.350) 4.171 14.117 ( -0.726 0.870 -0.293) 1.170 14.162 ( 0.214 2.119 -0.350) 2.158 14.187 ( 0.560 -2.757 0.549) 2.866 14.223 ( -1.561 -2.651 -0.975) 3.228 14.289 ( -1.192 -2.233 0.428) 2.567 14.374 ( 3.320 -3.564 0.233) 4.877 14.488 ( -1.555 8.894 3.447) 9.664 14.547 ( 5.580 -0.230 2.241) 6.018 14.594 ( 1.284 7.187 -2.681) 7.778 14.709 ( -4.597 3.516 -2.443) 6.282 14.753 ( 3.178 8.655 3.332) 9.804 14.799 ( -1.221 7.137 -2.940) 7.815 15.056 ( 4.715 -0.558 7.841) 9.167 17.823 ( -2.283 -3.073 -16.413) 16.853 17.955 ( 4.036 2.064 11.820) 12.659 18.229 ( -2.100 -1.904 -0.715) 2.923 18.429 ( 2.845 -2.153 5.000) 6.142 18.507 ( -3.984 -9.563 -0.550) 10.375 18.577 ( 0.886 -4.174 -2.087) 4.750 18.817 ( -4.637 -7.592 0.212) 8.899 18.846 ( -5.013 -5.498 -1.646) 7.621 ======================= Grid point 125 (59/80) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 20.197 4.459 -2.766) 20.868 1.456 ( -6.412 -2.864 13.776) 15.462 1.496 ( 9.285 -6.898 -7.874) 13.993 1.865 ( 1.746 2.605 5.639) 6.452 1.904 ( 2.718 9.483 -2.041) 10.074 1.933 ( -2.939 12.590 9.736) 16.184 1.958 ( -2.731 -2.083 10.086) 10.655 2.200 ( -3.045 10.255 -2.297) 10.942 2.331 ( -1.399 4.727 -3.022) 5.783 2.380 ( 3.420 7.735 3.192) 9.040 2.419 ( -1.136 3.117 -5.005) 6.005 2.461 ( 2.567 3.170 -3.819) 5.588 2.588 ( -2.678 0.239 -4.636) 5.359 2.696 ( -0.007 1.519 -4.280) 4.542 2.772 ( -0.401 3.572 -1.847) 4.041 2.810 ( -0.463 6.093 -8.024) 10.086 2.968 ( -1.394 4.241 -1.535) 4.721 2.986 ( 4.556 7.409 -2.251) 8.985 3.073 ( 4.184 -0.378 10.104) 10.943 3.227 ( -1.106 -1.047 1.652) 2.247 3.240 ( 4.121 -0.655 4.581) 6.197 3.459 ( 4.396 6.471 -6.103) 9.922 3.526 ( -4.766 0.614 -1.074) 4.924 3.644 ( 3.742 3.095 -0.163) 4.859 3.663 ( -3.928 -1.982 -0.661) 4.450 3.711 ( -9.245 1.168 -7.735) 12.110 3.812 ( 2.351 -1.163 6.002) 6.550 3.880 ( -2.438 0.533 -1.336) 2.830 3.912 ( 3.949 1.555 1.031) 4.367 4.029 ( -9.582 1.211 -1.494) 9.773 4.166 ( -1.174 1.087 7.555) 7.723 4.280 ( -3.553 3.406 -2.475) 5.509 4.312 ( -0.976 -2.384 5.314) 5.905 4.392 ( 7.298 -1.828 2.370) 7.888 4.486 ( 0.882 -2.458 1.086) 2.828 4.562 ( -2.685 4.331 0.739) 5.149 4.662 ( 0.065 -1.287 2.877) 3.152 4.703 ( -3.408 0.102 2.088) 3.998 4.774 ( 3.679 -1.036 8.378) 9.209 4.822 ( 4.033 0.411 0.577) 4.095 4.930 ( -3.257 1.418 -0.778) 3.637 4.966 ( 0.809 -2.165 -5.191) 5.682 5.001 ( -6.048 -2.137 -7.445) 9.827 5.046 ( -1.571 1.671 -0.905) 2.465 5.161 ( 3.848 0.950 7.895) 8.834 5.277 ( -3.484 2.726 -3.744) 5.796 5.294 ( -4.172 -4.631 -2.880) 6.866 5.459 ( 4.808 -3.942 -3.022) 6.913 5.573 ( -0.340 -2.810 3.579) 4.563 5.723 ( -9.688 -4.476 -10.658) 15.083 5.772 ( -0.740 2.466 -1.377) 2.920 5.934 ( -7.686 3.298 -4.217) 9.366 6.133 ( 4.034 -0.186 -1.810) 4.425 6.212 ( 1.292 -9.719 7.002) 12.048 6.289 ( -0.037 -0.739 2.221) 2.341 6.423 ( 6.885 -2.650 0.687) 7.409 6.640 ( -2.423 -5.232 3.365) 6.676 6.708 ( -1.613 -4.270 5.004) 6.773 6.773 ( -0.266 -3.017 -7.256) 7.863 6.860 ( 1.175 -0.898 -7.523) 7.667 6.908 ( 0.910 -4.743 2.771) 5.569 6.935 ( -0.705 -4.434 -1.276) 4.668 7.025 ( -5.908 -8.828 -3.573) 11.207 7.130 ( 3.110 3.114 -5.983) 7.428 7.270 ( 1.255 3.843 6.615) 7.752 7.472 ( 7.016 -1.212 3.510) 7.938 7.526 ( -0.338 -4.243 0.338) 4.270 7.532 ( 4.022 4.498 -3.208) 6.834 7.599 ( 8.572 0.599 -0.386) 8.601 7.740 ( 1.267 -0.888 0.265) 1.570 7.808 ( 0.465 1.801 -1.161) 2.193 7.881 ( -0.882 -0.783 2.681) 2.929 8.044 ( -4.657 4.094 -3.702) 7.221 8.068 ( -4.487 0.606 -0.076) 4.528 8.083 ( -0.991 3.168 0.456) 3.351 8.215 ( -1.514 7.254 -0.041) 7.410 8.283 ( 0.621 2.600 2.462) 3.634 8.456 ( -3.858 -0.276 -2.203) 4.451 8.591 ( 1.232 0.428 0.508) 1.400 8.667 ( -2.805 -1.036 2.393) 3.830 12.009 ( 0.082 3.807 0.414) 3.830 12.058 ( -0.421 5.652 -0.288) 5.675 12.810 ( -0.224 -3.351 4.303) 5.458 12.920 ( 3.572 -3.578 -3.106) 5.934 13.917 ( 1.319 -1.580 -0.070) 2.060 13.996 ( -1.026 -3.440 -0.123) 3.592 14.005 ( 3.558 -1.250 -0.848) 3.866 14.097 ( -0.801 1.185 -0.571) 1.540 14.159 ( -0.228 1.314 -1.074) 1.712 14.187 ( -0.211 -2.362 -0.283) 2.388 14.216 ( 0.299 -3.191 0.447) 3.236 14.284 ( 0.064 -1.082 0.880) 1.396 14.386 ( -4.885 0.613 -4.140) 6.433 14.461 ( 3.435 -1.605 1.861) 4.224 14.518 ( -2.579 4.088 -3.360) 5.887 14.620 ( -0.108 4.130 3.067) 5.145 14.644 ( -0.645 7.026 -0.457) 7.071 14.840 ( 4.128 6.704 1.914) 8.102 14.849 ( -1.872 4.512 0.899) 4.967 15.129 ( -1.670 -0.131 2.212) 2.774 17.758 ( 8.876 -3.969 -5.812) 11.328 18.107 ( 2.685 0.189 6.007) 6.583 18.232 ( 2.359 -0.998 -0.222) 2.570 18.368 ( -10.077 -0.697 1.273) 10.180 18.443 ( -1.683 -9.889 -0.567) 10.047 18.666 ( 5.405 -2.814 1.552) 6.288 18.673 ( -8.347 -3.033 -4.535) 9.972 18.750 ( -3.813 -5.703 1.890) 7.116 ======================= Grid point 126 (60/80) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -18.290 -3.686 14.909) 23.883 1.598 ( 14.137 -5.709 -7.557) 17.016 1.786 ( 18.463 5.598 13.102) 23.321 1.844 ( -5.826 10.341 8.445) 14.567 1.930 ( -2.442 2.350 3.520) 4.886 1.987 ( 1.885 7.897 0.239) 8.123 2.049 ( -5.142 -0.325 7.079) 8.755 2.087 ( -7.087 2.356 -6.496) 9.898 2.173 ( -1.905 7.253 -3.812) 8.412 2.303 ( -1.379 0.735 -11.294) 11.402 2.470 ( 0.598 10.682 2.551) 10.999 2.497 ( 3.535 4.264 0.964) 5.622 2.549 ( -0.303 2.832 -0.108) 2.851 2.597 ( 0.185 -0.083 -4.557) 4.562 2.719 ( -0.535 5.916 -3.216) 6.755 2.733 ( -2.224 3.095 -3.553) 5.211 2.949 ( -0.001 6.863 1.334) 6.991 3.012 ( 2.432 3.658 -4.321) 6.162 3.187 ( 1.929 -3.073 0.590) 3.676 3.239 ( -3.260 -3.009 -3.882) 5.895 3.318 ( 3.861 -3.770 6.635) 8.552 3.448 ( -0.889 -2.312 -3.589) 4.361 3.523 ( -1.988 0.642 0.866) 2.261 3.567 ( 3.985 1.804 -0.382) 4.391 3.641 ( 2.995 -1.717 2.135) 4.059 3.723 ( -6.603 3.412 -6.112) 9.623 3.750 ( 3.872 9.492 0.578) 10.267 3.780 ( -2.591 6.555 -1.844) 7.285 3.969 ( -1.360 3.091 2.094) 3.973 4.011 ( 5.196 4.311 -1.536) 6.924 4.191 ( -2.057 1.340 3.357) 4.159 4.218 ( 0.104 3.802 0.324) 3.817 4.388 ( 0.566 -4.454 6.495) 7.896 4.478 ( 0.314 -3.388 -2.562) 4.259 4.556 ( 3.883 -2.308 3.085) 5.470 4.561 ( -1.696 -1.192 1.770) 2.726 4.659 ( 1.276 -2.896 5.249) 6.129 4.688 ( -1.354 2.157 1.689) 3.056 4.770 ( -3.787 -2.719 -0.593) 4.699 4.801 ( -0.445 -3.253 -1.843) 3.765 4.868 ( -2.913 0.524 -4.329) 5.244 4.892 ( -0.640 3.506 -3.315) 4.867 5.027 ( 4.991 2.652 1.962) 5.983 5.132 ( -2.197 -5.388 -7.458) 9.459 5.170 ( 9.079 -0.371 4.945) 10.345 5.200 ( -4.104 -2.232 0.095) 4.673 5.318 ( -2.966 3.685 9.295) 10.429 5.497 ( -4.740 -1.832 -1.856) 5.410 5.539 ( 5.507 2.815 -5.595) 8.340 5.584 ( -0.461 -0.120 0.522) 0.707 5.695 ( -3.683 5.205 -1.242) 6.496 5.777 ( -2.502 3.077 -5.545) 6.817 6.193 ( -2.031 -4.830 1.322) 5.404 6.205 ( 1.373 -3.454 -0.513) 3.752 6.413 ( 2.779 -7.715 7.501) 11.113 6.528 ( 2.414 -8.147 0.311) 8.503 6.629 ( 0.129 -5.060 -2.736) 5.754 6.648 ( -1.639 -3.761 -8.182) 9.153 6.754 ( -0.338 -4.738 7.879) 9.200 6.826 ( -0.609 -4.740 0.968) 4.876 6.886 ( -1.562 -2.916 -3.481) 4.802 6.918 ( 1.745 -9.582 -5.733) 11.302 6.972 ( -2.471 0.936 4.574) 5.282 7.127 ( 5.325 1.411 -8.220) 9.895 7.349 ( -0.150 5.167 7.565) 9.162 7.458 ( -3.050 5.124 -3.303) 6.817 7.556 ( 1.393 -2.788 -0.222) 3.124 7.581 ( 1.036 -0.524 -1.692) 2.052 7.741 ( 3.480 3.693 1.535) 5.301 7.804 ( -0.481 0.763 3.004) 3.136 7.840 ( 0.157 2.170 2.389) 3.231 7.846 ( -1.491 -0.127 -1.896) 2.415 7.904 ( -2.269 -1.028 0.050) 2.492 7.943 ( -1.136 0.718 -4.054) 4.271 8.162 ( 3.117 3.218 1.392) 4.691 8.180 ( -3.467 3.298 -0.464) 4.807 8.325 ( 2.057 3.182 2.632) 4.613 8.371 ( -1.726 3.200 -2.505) 4.415 8.624 ( -2.723 -0.477 1.732) 3.262 8.643 ( 2.680 0.143 -0.104) 2.686 12.025 ( 0.694 4.042 0.892) 4.197 12.042 ( -0.559 4.872 -0.912) 4.988 12.846 ( -1.274 -4.022 5.039) 6.572 12.940 ( 2.351 -4.348 -4.553) 6.720 13.951 ( 0.454 -1.827 0.759) 2.030 13.968 ( -0.467 -2.833 -1.090) 3.072 14.071 ( 3.005 0.118 0.683) 3.084 14.079 ( -0.841 0.762 -0.480) 1.232 14.139 ( -0.132 0.571 -0.290) 0.653 14.173 ( -0.003 -1.647 -2.331) 2.854 14.234 ( 0.785 -2.003 1.360) 2.545 14.272 ( -1.306 0.354 -2.443) 2.793 14.338 ( 2.144 -1.854 2.783) 3.972 14.418 ( -2.949 1.356 -4.975) 5.940 14.565 ( 3.178 2.600 2.219) 4.668 14.600 ( -2.701 4.369 -0.677) 5.181 14.681 ( 3.716 3.278 2.129) 5.393 14.726 ( -5.779 4.215 -2.557) 7.596 14.977 ( 6.151 2.753 5.391) 8.630 15.046 ( -7.069 2.441 -1.995) 7.740 17.987 ( 12.403 -4.791 2.843) 13.597 18.031 ( -13.560 0.391 -1.832) 13.689 18.258 ( -0.805 -0.575 2.545) 2.730 18.297 ( 4.287 -0.663 -1.275) 4.521 18.446 ( 2.516 -6.943 0.985) 7.450 18.501 ( -3.835 -4.053 -4.470) 7.149 18.716 ( -3.061 -5.407 3.210) 6.994 18.753 ( 3.112 -2.686 -0.712) 4.172 ======================= Grid point 127 (61/80) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -20.817 -3.250 15.397) 26.095 1.299 ( -34.023 1.610 -6.952) 34.763 1.727 ( 0.263 4.005 -1.189) 4.186 1.768 ( -3.823 8.599 4.262) 10.330 1.951 ( -6.101 4.954 5.245) 9.448 2.018 ( 2.552 2.343 -6.048) 6.970 2.116 ( -1.239 8.726 0.478) 8.826 2.162 ( -0.661 -0.771 -0.106) 1.020 2.224 ( 2.143 2.318 3.068) 4.402 2.301 ( 12.202 5.476 1.913) 13.510 2.458 ( -0.495 7.133 -2.133) 7.461 2.478 ( -1.931 8.091 -1.571) 8.465 2.588 ( 2.048 2.161 -3.962) 4.956 2.618 ( -0.293 5.324 3.607) 6.438 2.701 ( 1.328 1.558 1.334) 2.443 2.748 ( 2.959 1.979 -0.411) 3.583 2.956 ( 0.921 6.997 -0.411) 7.069 3.002 ( 2.616 2.486 -3.719) 5.183 3.217 ( 3.541 4.108 -3.554) 6.484 3.254 ( 0.184 -4.563 0.705) 4.620 3.330 ( -3.214 -4.445 -2.697) 6.113 3.383 ( -4.252 1.182 -1.529) 4.671 3.477 ( 1.594 0.576 4.749) 5.042 3.590 ( -1.519 5.590 -0.918) 5.865 3.666 ( 5.932 -1.072 0.352) 6.039 3.701 ( 0.482 4.359 -3.640) 5.699 3.841 ( 6.842 4.149 0.869) 8.049 3.867 ( 7.317 1.357 2.717) 7.922 3.962 ( -1.200 0.387 -3.915) 4.113 4.023 ( 0.477 2.368 -2.344) 3.366 4.195 ( 2.085 2.381 4.729) 5.690 4.285 ( 3.686 4.060 -0.692) 5.527 4.392 ( -3.156 -4.320 -2.690) 5.988 4.450 ( -2.212 -4.383 -2.309) 5.425 4.490 ( -0.530 -2.956 1.013) 3.170 4.592 ( -0.030 0.853 -1.699) 1.901 4.680 ( -2.208 -3.131 -3.626) 5.274 4.751 ( -0.292 -3.113 1.973) 3.697 4.765 ( 4.412 -0.742 5.108) 6.790 4.840 ( 2.756 0.309 3.520) 4.481 4.876 ( 1.690 0.856 2.437) 3.087 4.913 ( 4.116 0.699 0.353) 4.189 4.970 ( -4.272 -0.857 -6.303) 7.663 5.061 ( -4.897 -2.652 -0.865) 5.636 5.140 ( 3.722 -1.631 0.700) 4.123 5.275 ( -1.038 2.155 1.266) 2.706 5.378 ( -0.607 -1.865 3.438) 3.958 5.400 ( -2.342 2.846 -6.967) 7.882 5.522 ( -1.483 0.097 4.127) 4.386 5.601 ( 1.176 2.260 1.422) 2.918 5.760 ( 4.755 1.089 8.746) 10.015 5.799 ( 6.843 0.739 2.645) 7.374 6.102 ( -5.210 -0.431 0.996) 5.322 6.274 ( 2.300 -4.377 -0.199) 4.948 6.355 ( -6.736 -5.090 -2.276) 8.744 6.475 ( -5.091 -3.322 -6.258) 8.724 6.671 ( 3.942 -4.147 -1.051) 5.817 6.687 ( 7.023 -8.339 2.712) 11.235 6.768 ( -1.888 -4.026 2.177) 4.951 6.796 ( -3.202 -2.317 0.506) 3.984 6.879 ( 0.373 -3.068 -0.376) 3.113 6.901 ( 2.665 -8.198 -3.116) 9.166 7.004 ( -0.159 0.862 7.176) 7.229 7.155 ( 5.970 -3.342 -10.018) 12.132 7.358 ( -4.527 4.679 -1.112) 6.605 7.403 ( -1.947 4.651 4.875) 7.013 7.530 ( -3.963 1.611 -1.656) 4.587 7.588 ( 1.279 -3.818 -0.775) 4.101 7.613 ( -9.078 1.368 -3.386) 9.785 7.722 ( -5.301 2.351 0.248) 5.804 7.785 ( -1.645 -1.472 1.898) 2.911 7.948 ( 3.556 2.149 -2.031) 4.625 7.973 ( 1.207 1.021 1.480) 2.165 8.016 ( 6.596 0.597 4.195) 7.840 8.078 ( -1.405 2.398 1.200) 3.027 8.215 ( 0.196 4.880 0.833) 4.955 8.336 ( -0.026 4.190 -3.049) 5.182 8.419 ( 4.872 0.130 1.845) 5.211 8.585 ( -2.163 -0.059 1.111) 2.432 8.702 ( 3.360 -0.860 -1.024) 3.616 12.021 ( -0.441 4.160 -0.664) 4.236 12.053 ( 1.455 5.554 0.191) 5.745 12.852 ( -2.753 -4.070 3.800) 6.212 12.910 ( 0.075 -4.282 -5.887) 7.280 13.911 ( -2.257 -1.487 0.182) 2.709 13.988 ( 0.487 -1.161 -0.197) 1.275 14.038 ( -1.676 -1.652 -2.837) 3.686 14.105 ( 1.359 1.082 -1.370) 2.212 14.137 ( 0.109 -0.614 0.297) 0.691 14.185 ( 1.647 -1.834 0.404) 2.498 14.238 ( -0.260 -1.248 -1.812) 2.216 14.289 ( 2.994 2.139 2.443) 4.417 14.339 ( 0.074 -2.583 -1.837) 3.170 14.430 ( 2.429 2.090 4.323) 5.381 14.522 ( -3.154 0.388 -2.675) 4.154 14.611 ( -0.404 6.293 1.495) 6.481 14.674 ( 1.837 5.158 -1.216) 5.609 14.812 ( 4.865 2.217 4.261) 6.836 14.878 ( -6.874 6.887 -1.647) 9.869 15.130 ( 4.454 -0.411 2.621) 5.184 17.698 ( -16.164 2.362 0.615) 16.348 18.180 ( 2.791 -3.912 -1.423) 5.011 18.238 ( -1.872 -0.888 -0.720) 2.194 18.388 ( 7.420 -1.418 -1.044) 7.626 18.454 ( 1.020 -7.429 -2.020) 7.766 18.589 ( 10.116 -6.136 3.819) 12.433 18.676 ( -4.254 -5.528 0.942) 7.039 18.781 ( 1.852 -3.340 -1.443) 4.083 ======================= Grid point 128 (62/80) ======================= q-point: (-0.17 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -6.306 9.173 16.965) 20.291 1.052 ( -14.096 -6.449 25.452) 29.801 1.673 ( -5.654 11.305 6.531) 14.228 1.740 ( -2.812 4.637 -3.313) 6.355 1.884 ( -1.810 3.991 -0.429) 4.403 1.988 ( -0.391 2.440 -2.972) 3.865 2.051 ( -6.336 7.350 -3.423) 10.290 2.153 ( 3.225 6.616 1.524) 7.516 2.323 ( 0.055 4.342 6.936) 8.183 2.359 ( -3.959 7.823 -6.760) 11.071 2.422 ( -2.164 5.901 -3.098) 7.007 2.470 ( 5.273 5.379 -2.704) 8.003 2.598 ( -0.373 -4.100 -1.468) 4.371 2.640 ( -0.124 9.324 4.461) 10.337 2.701 ( -1.194 8.756 4.773) 10.043 2.795 ( 2.292 -0.118 0.300) 2.314 2.957 ( -2.329 7.044 -3.160) 8.064 3.011 ( 3.013 6.812 -6.571) 9.933 3.147 ( 2.327 2.158 -6.564) 7.291 3.197 ( -3.517 -1.943 -0.945) 4.128 3.276 ( 1.399 -2.325 -2.067) 3.411 3.437 ( 4.716 4.000 1.618) 6.392 3.576 ( -1.695 7.818 -0.768) 8.036 3.604 ( 5.505 2.893 2.114) 6.569 3.684 ( 1.967 -3.947 3.729) 5.776 3.776 ( -5.305 -3.922 -7.165) 9.740 3.806 ( -2.470 -2.192 -4.164) 5.314 3.921 ( 6.862 1.851 1.811) 7.334 4.000 ( 6.797 0.673 -1.156) 6.927 4.091 ( 1.376 -1.044 4.322) 4.654 4.265 ( -0.371 1.133 -4.504) 4.659 4.294 ( -2.401 2.459 -0.943) 3.563 4.303 ( -3.673 -1.447 -5.187) 6.519 4.404 ( 6.263 -2.787 -0.154) 6.857 4.477 ( -1.169 -4.736 -1.501) 5.103 4.604 ( 0.832 2.257 0.765) 2.524 4.662 ( -3.279 1.315 -5.250) 6.328 4.712 ( -2.179 -3.500 -0.459) 4.148 4.779 ( -4.724 -3.761 -7.104) 9.323 4.807 ( 2.611 -0.303 -0.361) 2.653 4.927 ( 2.715 0.141 6.036) 6.620 4.969 ( 3.676 1.050 7.985) 8.853 5.018 ( 2.733 0.731 2.133) 3.543 5.091 ( 4.305 -0.422 0.805) 4.400 5.157 ( -3.616 1.446 -9.044) 9.847 5.264 ( 2.178 -8.997 7.152) 11.698 5.353 ( -0.302 -3.188 3.829) 4.992 5.412 ( 2.005 -0.213 -0.248) 2.031 5.550 ( -1.359 0.915 1.912) 2.518 5.676 ( 0.211 3.301 9.089) 9.673 5.897 ( 6.316 -4.023 2.511) 7.898 6.044 ( 4.974 -4.538 9.259) 11.448 6.045 ( -0.586 7.237 -0.187) 7.263 6.210 ( -1.126 -9.245 -0.060) 9.314 6.316 ( -0.035 -0.113 -0.007) 0.119 6.361 ( 1.496 -2.022 -3.639) 4.423 6.697 ( -1.064 -2.444 -2.624) 3.740 6.731 ( 0.209 -4.461 3.082) 5.426 6.744 ( 2.864 -0.720 -4.450) 5.340 6.872 ( -1.514 -4.275 0.819) 4.608 6.887 ( 4.811 -3.968 -1.638) 6.448 6.969 ( 4.950 -6.275 6.742) 10.456 7.032 ( -3.000 -0.998 1.860) 3.669 7.102 ( -3.830 -2.805 -4.527) 6.560 7.261 ( -5.160 -2.046 -1.928) 5.877 7.380 ( -6.140 3.875 -0.671) 7.292 7.404 ( 0.014 1.190 -2.178) 2.482 7.476 ( -4.474 5.310 -0.260) 6.949 7.569 ( 0.462 -7.903 -2.470) 8.293 7.712 ( 0.103 -1.278 2.583) 2.883 7.806 ( 1.019 1.103 1.307) 1.991 7.844 ( -5.722 2.561 -1.821) 6.528 8.052 ( 0.980 6.433 4.121) 7.703 8.130 ( 3.093 -1.308 1.317) 3.607 8.142 ( 1.646 2.196 0.524) 2.794 8.251 ( 3.272 4.315 3.278) 6.330 8.299 ( 0.220 2.619 -3.656) 4.503 8.502 ( 1.887 -1.036 0.235) 2.165 8.579 ( 0.583 -0.901 1.720) 2.028 8.732 ( 1.488 -1.763 -2.390) 3.322 12.016 ( 0.389 4.577 -0.069) 4.594 12.076 ( 1.514 6.772 -1.824) 7.175 12.823 ( -2.940 -3.658 1.630) 4.968 12.851 ( -0.907 -2.589 -3.059) 4.109 13.896 ( -0.068 -0.794 0.959) 1.247 13.955 ( -1.522 -0.836 -0.759) 1.895 14.037 ( 2.981 -1.795 -0.907) 3.596 14.118 ( 1.123 0.893 -0.663) 1.580 14.147 ( 0.181 -0.701 0.657) 0.978 14.201 ( 0.053 -3.396 -0.332) 3.412 14.228 ( 1.026 -0.491 -1.215) 1.664 14.305 ( 0.962 -1.640 -1.469) 2.403 14.388 ( -2.308 -0.665 -0.167) 2.408 14.473 ( 3.757 2.817 2.143) 5.162 14.519 ( 1.519 3.539 4.174) 5.679 14.613 ( -2.061 2.743 -1.096) 3.602 14.689 ( 1.215 7.060 -1.773) 7.380 14.752 ( -4.543 9.447 1.958) 10.664 14.842 ( -5.197 7.776 -4.797) 10.512 15.161 ( -0.899 -1.359 -3.173) 3.567 17.561 ( -3.239 2.998 10.878) 11.740 18.144 ( 0.110 -1.220 -8.129) 8.220 18.223 ( 1.432 -1.101 -0.033) 1.807 18.484 ( 3.144 -11.146 1.633) 11.695 18.499 ( 3.587 -3.784 -0.489) 5.237 18.558 ( -6.927 -4.554 -1.370) 8.402 18.799 ( 5.187 -7.707 2.599) 9.646 18.819 ( 4.688 -5.053 0.397) 6.904 ======================= Grid point 129 (63/80) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 6.234 13.180 9.337) 17.313 1.468 ( 0.215 2.556 -5.609) 6.167 1.534 ( 16.705 11.864 14.496) 25.099 1.917 ( -10.507 9.719 -6.674) 15.793 1.999 ( -1.559 3.969 -4.676) 6.328 2.024 ( -4.405 5.784 -9.015) 11.581 2.130 ( -0.755 7.232 5.332) 9.017 2.186 ( -4.208 6.413 -0.142) 7.671 2.388 ( 1.504 9.124 1.689) 9.400 2.452 ( 2.316 9.043 -5.257) 10.713 2.587 ( 1.647 4.131 3.774) 5.833 2.619 ( 0.041 3.973 3.361) 5.205 2.705 ( 2.160 8.829 -0.082) 9.090 2.775 ( -2.644 4.109 -4.391) 6.569 2.888 ( -1.370 5.306 4.833) 7.306 2.930 ( -0.424 12.435 1.700) 12.558 3.049 ( 1.217 5.232 0.683) 5.415 3.113 ( 1.333 4.017 -3.840) 5.714 3.231 ( -1.121 5.824 0.693) 5.972 3.275 ( -1.023 7.277 -0.790) 7.391 3.301 ( 3.381 1.184 4.946) 6.107 3.475 ( -4.434 -3.654 1.570) 5.957 3.510 ( -1.280 2.029 -9.443) 9.743 3.552 ( -3.061 -0.808 -2.543) 4.061 3.744 ( 3.228 2.942 4.573) 6.323 3.785 ( 0.123 1.288 5.125) 5.286 3.841 ( 5.202 2.772 2.933) 6.584 3.949 ( -1.343 -2.533 -2.372) 3.721 4.067 ( -5.818 -4.015 -3.852) 8.051 4.120 ( 1.336 -1.865 0.729) 2.407 4.154 ( 2.946 -0.294 -3.057) 4.256 4.181 ( -2.690 -1.226 -2.540) 3.897 4.310 ( 2.550 -1.754 5.856) 6.624 4.373 ( 1.811 -0.590 0.900) 2.107 4.424 ( -3.347 1.100 -4.297) 5.556 4.436 ( -5.530 -3.356 -5.507) 8.496 4.629 ( 2.138 1.931 5.048) 5.812 4.696 ( -0.161 0.766 0.619) 0.998 4.761 ( 3.962 2.104 -1.719) 4.804 4.809 ( -3.664 0.329 -5.569) 6.675 4.943 ( -1.617 -2.318 2.105) 3.524 4.966 ( -0.577 -4.898 0.953) 5.023 5.006 ( -3.485 -5.904 3.176) 7.556 5.071 ( 3.098 -3.678 -2.294) 5.329 5.195 ( 5.295 -2.473 3.958) 7.058 5.258 ( 4.500 0.419 -0.567) 4.555 5.306 ( 2.588 -3.056 0.953) 4.117 5.354 ( -6.939 -2.840 -2.273) 7.835 5.562 ( 0.670 -2.880 5.310) 6.078 5.682 ( -2.613 -1.708 -5.905) 6.680 5.891 ( 1.220 -10.739 8.082) 13.495 5.997 ( 1.433 -14.540 0.150) 14.611 6.114 ( 0.446 4.350 -0.186) 4.377 6.183 ( 1.897 1.230 -5.228) 5.696 6.285 ( -1.817 -0.027 2.848) 3.378 6.332 ( 2.081 -3.250 -1.726) 4.227 6.573 ( -4.649 -5.783 3.318) 8.128 6.619 ( 2.110 -1.999 -1.346) 3.203 6.768 ( 1.788 -1.829 1.472) 2.951 6.816 ( 0.740 -6.160 -0.580) 6.232 6.833 ( -0.059 -1.061 -3.501) 3.658 6.886 ( -1.430 -1.948 -6.172) 6.628 7.010 ( 0.137 1.437 7.409) 7.548 7.107 ( 5.129 0.361 3.833) 6.413 7.169 ( -0.630 -0.094 -1.110) 1.280 7.261 ( -2.807 -2.963 -6.726) 7.867 7.457 ( 2.905 1.300 1.478) 3.509 7.466 ( -3.496 2.984 0.703) 4.650 7.651 ( 5.117 4.721 2.252) 7.317 7.706 ( -4.556 4.524 -3.043) 7.105 7.824 ( -1.892 2.144 0.994) 3.028 7.849 ( 3.198 3.254 -2.210) 5.070 8.122 ( -0.950 -1.038 3.725) 3.982 8.169 ( -0.063 -1.585 -0.902) 1.825 8.215 ( 0.190 2.871 3.993) 4.922 8.274 ( -3.342 3.466 -1.864) 5.163 8.451 ( 4.002 2.359 0.799) 4.713 8.467 ( -2.076 0.910 -1.283) 2.605 8.591 ( 0.592 -1.904 3.488) 4.018 8.663 ( -0.513 -1.947 -4.061) 4.533 12.145 ( -0.554 6.330 1.701) 6.578 12.190 ( 1.089 5.842 -3.182) 6.741 12.722 ( -1.964 -4.502 2.649) 5.581 12.773 ( 2.210 -4.463 -2.701) 5.666 13.909 ( -1.043 -0.744 -0.333) 1.324 13.911 ( 1.548 -0.042 -0.224) 1.565 14.098 ( 3.621 -1.045 0.006) 3.769 14.107 ( -2.740 -1.087 -0.693) 3.028 14.149 ( -0.695 0.726 1.648) 1.931 14.167 ( 1.952 0.555 -0.216) 2.041 14.291 ( 1.424 0.968 -0.254) 1.741 14.304 ( 0.773 0.890 -1.101) 1.614 14.354 ( 4.236 2.521 0.838) 5.000 14.414 ( -9.376 3.037 -5.038) 11.068 14.654 ( 1.832 1.300 4.390) 4.931 14.686 ( -0.161 4.357 1.217) 4.527 14.838 ( 2.238 3.467 1.905) 4.545 14.867 ( -3.517 5.060 -0.618) 6.193 14.920 ( 1.239 4.390 3.582) 5.799 15.002 ( -6.286 -0.502 -5.026) 8.064 17.812 ( 8.104 5.348 9.023) 13.255 17.995 ( -6.293 -2.971 -10.144) 12.301 18.240 ( 0.955 -3.605 0.770) 3.808 18.258 ( -1.766 -3.651 -0.962) 4.168 18.374 ( -3.087 -11.231 0.971) 11.688 18.394 ( 4.374 -9.308 -0.913) 10.325 18.677 ( -1.004 -9.748 4.255) 10.684 18.741 ( 2.046 -6.946 -2.655) 7.713 ======================= Grid point 130 (64/80) ======================= q-point: ( 0.17 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.017 -1.241 -13.747) 13.803 1.436 ( -9.481 6.871 -22.234) 25.128 1.461 ( 6.029 12.536 6.953) 15.552 1.868 ( -6.128 2.309 2.955) 7.185 2.026 ( 5.708 10.948 6.644) 14.021 2.064 ( -2.608 4.908 4.372) 7.071 2.103 ( 1.147 11.542 4.963) 12.616 2.230 ( 5.666 3.187 5.595) 8.577 2.437 ( 1.697 7.713 -2.793) 8.377 2.483 ( 5.126 6.518 -4.167) 9.280 2.520 ( -3.267 -0.091 -0.851) 3.378 2.647 ( -5.442 10.626 -2.607) 12.220 2.710 ( 2.566 4.325 -1.047) 5.137 2.798 ( 3.047 3.693 4.839) 6.808 2.862 ( -2.065 7.961 1.800) 8.419 2.940 ( -1.076 3.036 -1.207) 3.439 3.036 ( -0.780 6.613 2.191) 7.010 3.066 ( -2.454 6.485 -1.482) 7.090 3.193 ( -5.691 10.139 -0.008) 11.627 3.252 ( 0.944 1.282 -0.406) 1.643 3.317 ( -0.502 7.419 -2.403) 7.814 3.462 ( -3.445 -5.992 7.700) 10.347 3.555 ( 6.790 1.672 5.125) 8.670 3.594 ( 6.245 2.511 0.745) 6.772 3.725 ( -3.597 2.523 -2.381) 4.997 3.805 ( -2.712 -1.412 -6.594) 7.268 3.837 ( -0.083 5.152 -5.367) 7.441 3.919 ( -2.311 -0.789 3.772) 4.494 4.003 ( -4.198 -0.462 0.910) 4.320 4.081 ( -1.191 -2.948 3.128) 4.460 4.141 ( 1.000 1.221 -0.572) 1.679 4.190 ( -0.873 -2.223 0.580) 2.458 4.294 ( 0.544 0.470 0.240) 0.758 4.401 ( 3.198 -1.320 -3.711) 5.074 4.478 ( 3.107 -1.987 7.848) 8.671 4.490 ( 4.059 1.598 3.298) 5.468 4.624 ( -0.062 0.457 -2.642) 2.682 4.705 ( 0.450 2.899 2.279) 3.715 4.740 ( 0.282 2.902 -2.437) 3.800 4.799 ( -2.472 -2.217 -1.700) 3.730 4.926 ( 2.214 -2.313 4.109) 5.209 4.965 ( -0.995 -4.304 0.537) 4.450 5.001 ( -1.283 -1.721 3.842) 4.401 5.110 ( -0.564 -2.947 -2.689) 4.029 5.157 ( -6.292 -0.638 -5.371) 8.297 5.246 ( 3.983 -6.873 -5.534) 9.681 5.314 ( 3.525 0.374 -0.602) 3.596 5.417 ( 1.461 -5.298 2.669) 6.109 5.520 ( -7.630 -0.735 -0.988) 7.729 5.642 ( -0.132 -6.804 3.757) 7.773 5.838 ( -6.081 -6.075 -5.188) 10.040 5.954 ( -3.360 -11.384 2.958) 12.232 6.147 ( 0.148 1.358 0.254) 1.390 6.160 ( 1.693 1.471 -3.951) 4.544 6.270 ( -1.114 -1.612 1.454) 2.440 6.346 ( -0.257 -0.567 -3.084) 3.146 6.538 ( -3.297 -5.265 4.745) 7.817 6.654 ( 1.109 0.690 0.627) 1.449 6.724 ( 0.611 -5.815 -3.578) 6.855 6.805 ( -1.329 -5.351 -1.996) 5.864 6.845 ( -1.815 -5.453 3.563) 6.762 6.899 ( 2.624 2.317 -1.732) 3.905 7.036 ( -1.143 -1.525 -5.202) 5.540 7.157 ( 0.399 -0.509 -6.396) 6.429 7.217 ( 6.913 -3.118 1.031) 7.653 7.233 ( 3.272 0.438 5.902) 6.763 7.436 ( 0.799 1.241 3.305) 3.620 7.547 ( 3.642 1.177 -0.243) 3.835 7.576 ( -2.935 3.970 -4.531) 6.701 7.754 ( 2.717 3.006 1.816) 4.440 7.804 ( -0.847 1.982 1.949) 2.906 7.918 ( 4.809 5.301 -3.051) 7.780 8.128 ( -1.731 -0.412 2.692) 3.227 8.148 ( -1.606 -2.073 -1.722) 3.137 8.192 ( -3.971 3.599 1.534) 5.574 8.284 ( 1.691 2.754 4.394) 5.455 8.382 ( -3.271 2.949 -2.196) 4.921 8.507 ( 0.656 1.229 -1.728) 2.220 8.602 ( -0.832 -0.633 -0.306) 1.089 8.644 ( 0.504 -1.150 0.916) 1.554 12.126 ( -1.887 6.047 0.395) 6.347 12.190 ( 0.738 6.648 -1.129) 6.784 12.717 ( -1.265 -4.239 2.636) 5.150 12.798 ( 3.204 -5.315 -3.064) 6.921 13.891 ( -0.681 -0.571 -0.007) 0.889 13.939 ( 1.955 -0.744 -0.712) 2.209 14.015 ( -5.175 -0.239 -1.437) 5.376 14.133 ( -0.328 0.716 -0.509) 0.938 14.141 ( 0.454 -1.698 0.353) 1.792 14.183 ( 0.640 1.207 -1.874) 2.319 14.232 ( -3.519 2.079 0.067) 4.088 14.282 ( -0.205 1.643 -0.692) 1.794 14.339 ( 2.842 -0.001 0.888) 2.978 14.550 ( 6.208 0.660 3.292) 7.057 14.598 ( -6.864 1.713 -3.712) 7.989 14.682 ( -1.281 2.414 0.432) 2.767 14.796 ( -2.789 4.260 1.555) 5.324 14.908 ( -1.036 3.406 1.572) 3.892 14.916 ( 3.040 6.267 2.312) 7.339 15.048 ( 4.080 -0.115 6.100) 7.339 17.738 ( -8.204 -5.363 -7.984) 12.642 18.018 ( 5.082 4.320 5.829) 8.858 18.198 ( -0.329 -1.070 -0.702) 1.322 18.242 ( -6.298 -15.650 -0.236) 16.871 18.379 ( 4.085 -2.945 2.123) 5.465 18.476 ( 5.187 -5.668 -1.765) 7.883 18.670 ( -3.090 -7.324 2.993) 8.494 18.722 ( -0.971 -6.900 -5.283) 8.744 ======================= Grid point 131 (65/80) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 13.843 -4.624 -7.311) 16.324 1.319 ( 12.998 4.053 -5.919) 14.846 1.563 ( -4.524 9.989 2.553) 11.259 1.862 ( 2.333 0.491 5.270) 5.784 1.969 ( -4.173 3.031 6.115) 8.000 2.092 ( 2.174 7.392 -2.467) 8.090 2.173 ( -2.768 9.579 6.097) 11.687 2.348 ( -1.125 3.485 -2.790) 4.603 2.392 ( -1.356 -2.784 1.795) 3.579 2.454 ( -1.626 0.275 -7.279) 7.463 2.516 ( -6.135 11.334 -0.604) 12.902 2.561 ( 1.919 8.186 3.375) 9.060 2.725 ( 2.182 10.910 -1.602) 11.241 2.753 ( -3.140 4.353 -3.149) 6.223 2.878 ( 0.103 5.950 0.140) 5.953 2.971 ( -2.098 7.043 -1.301) 7.463 3.007 ( 0.750 1.519 -3.183) 3.606 3.086 ( -2.295 0.558 4.024) 4.666 3.145 ( 2.380 5.657 0.973) 6.214 3.236 ( -2.559 2.706 4.298) 5.687 3.323 ( 0.471 8.578 2.064) 8.836 3.444 ( -6.219 -5.817 5.575) 10.178 3.588 ( 0.251 5.770 -5.492) 7.970 3.631 ( -4.821 1.372 -6.708) 8.374 3.678 ( -5.669 1.066 -0.800) 5.824 3.762 ( 3.495 -2.752 7.602) 8.808 3.800 ( 4.964 5.996 -4.893) 9.194 3.949 ( 0.493 4.535 0.521) 4.591 3.969 ( 6.675 4.338 2.352) 8.301 4.079 ( -3.852 1.982 2.727) 5.119 4.188 ( 1.342 1.919 6.080) 6.515 4.227 ( 1.989 -1.593 1.094) 2.774 4.351 ( 2.376 -0.624 -0.151) 2.462 4.402 ( 0.595 2.197 0.817) 2.418 4.438 ( -1.510 -1.633 -3.752) 4.362 4.619 ( -2.084 2.054 -0.962) 3.080 4.643 ( -1.972 -0.964 -4.725) 5.210 4.688 ( 2.301 -5.549 3.704) 7.057 4.721 ( -0.680 1.222 0.373) 1.447 4.827 ( 3.684 -0.733 2.157) 4.332 4.892 ( -0.960 -2.293 -4.249) 4.923 4.965 ( -0.768 1.058 3.756) 3.977 4.992 ( -4.207 0.436 -2.234) 4.784 5.079 ( 2.255 0.302 -0.137) 2.279 5.140 ( -0.004 -2.610 -0.524) 2.662 5.188 ( -2.032 -4.883 -1.376) 5.465 5.336 ( -1.160 1.092 1.248) 2.023 5.435 ( 5.341 -0.957 0.593) 5.458 5.501 ( 1.801 -3.484 3.289) 5.118 5.561 ( -8.634 -7.846 -2.477) 11.927 5.777 ( 1.755 -2.370 -0.689) 3.029 5.946 ( -0.389 -9.976 -2.309) 10.247 6.065 ( -1.374 2.796 -2.147) 3.783 6.186 ( -0.880 1.427 0.052) 1.677 6.270 ( -1.709 1.096 1.401) 2.467 6.332 ( 2.192 -5.647 0.409) 6.072 6.539 ( -1.195 -3.565 3.353) 5.038 6.634 ( -3.963 -3.048 2.469) 5.576 6.722 ( 1.802 -2.622 -6.765) 7.476 6.756 ( -3.054 -8.309 -2.904) 9.316 6.802 ( -2.993 -4.912 -4.335) 7.203 6.890 ( 2.464 -0.826 -2.781) 3.806 6.904 ( -4.957 -3.881 1.206) 6.410 7.156 ( 3.188 -1.027 -6.892) 7.663 7.336 ( 2.733 3.403 5.702) 7.180 7.401 ( 5.631 -2.954 6.150) 8.847 7.524 ( 3.838 -4.687 -0.050) 6.058 7.558 ( 3.720 2.997 -2.203) 5.261 7.593 ( 3.717 -0.679 2.297) 4.422 7.777 ( 1.240 5.203 -0.149) 5.351 7.852 ( 0.871 1.402 3.064) 3.480 7.914 ( -1.586 4.690 -3.430) 6.023 8.069 ( -3.690 -0.073 -2.356) 4.379 8.083 ( -5.602 0.476 -1.196) 5.748 8.157 ( -0.365 3.144 0.754) 3.254 8.334 ( 0.066 4.653 -0.590) 4.691 8.360 ( 0.571 4.153 3.094) 5.210 8.463 ( -1.182 1.192 -2.214) 2.778 8.610 ( 1.120 1.358 0.356) 1.796 8.650 ( -1.020 -0.434 1.124) 1.579 12.109 ( -0.484 5.989 0.886) 6.073 12.182 ( -0.392 6.692 -1.180) 6.807 12.729 ( -0.779 -4.776 3.538) 5.994 12.823 ( 2.876 -6.151 -3.431) 7.608 13.888 ( 0.555 -1.014 0.078) 1.159 13.945 ( -2.051 -1.243 0.680) 2.493 13.984 ( 3.591 -0.711 0.451) 3.688 14.115 ( -0.352 0.520 -0.662) 0.912 14.146 ( -0.214 -1.510 -1.214) 1.949 14.171 ( -0.040 1.215 -0.738) 1.422 14.218 ( 0.256 1.826 0.562) 1.927 14.280 ( 0.165 0.912 0.412) 1.014 14.397 ( -3.042 0.718 -2.423) 3.955 14.448 ( 1.693 0.115 1.076) 2.010 14.584 ( -1.663 2.707 -2.646) 4.134 14.681 ( -0.719 1.405 2.997) 3.387 14.768 ( -2.986 4.885 0.337) 5.735 14.910 ( -3.246 1.394 -0.251) 3.542 14.955 ( -0.179 3.808 2.327) 4.466 15.127 ( 0.327 -0.191 1.934) 1.971 17.656 ( 3.351 -6.017 2.853) 7.454 18.107 ( 1.476 -2.090 0.763) 2.670 18.177 ( -1.026 -12.193 3.063) 12.614 18.228 ( 3.200 -0.643 -0.845) 3.372 18.359 ( -5.019 -0.391 -0.189) 5.038 18.555 ( -1.488 -6.603 -7.708) 10.258 18.632 ( 2.949 -2.731 -2.325) 4.643 18.637 ( -3.486 -5.656 3.335) 7.434 ======================= Grid point 132 (66/80) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -11.657 4.929 -0.284) 12.659 1.459 ( 14.577 -7.842 -8.788) 18.741 1.834 ( 26.349 1.668 12.086) 29.037 1.933 ( -9.087 2.495 1.948) 9.623 2.022 ( -2.037 4.090 7.837) 9.071 2.105 ( 3.887 3.501 -0.286) 5.239 2.141 ( -4.449 6.539 -0.833) 7.953 2.175 ( -5.820 6.792 -5.838) 10.681 2.325 ( -7.352 6.139 -1.466) 9.690 2.348 ( -0.591 3.090 -7.711) 8.328 2.517 ( 5.373 1.004 7.173) 9.019 2.649 ( 4.268 7.340 1.048) 8.555 2.663 ( -1.966 8.324 -5.487) 10.162 2.716 ( -2.159 8.637 -4.482) 9.967 2.831 ( -3.976 8.129 4.136) 9.950 2.894 ( -2.249 8.482 -1.368) 8.881 3.014 ( 0.209 -1.776 0.845) 1.977 3.032 ( -1.807 -1.526 -0.206) 2.374 3.169 ( -5.200 -0.033 0.061) 5.200 3.206 ( 4.359 0.036 -3.205) 5.411 3.355 ( -0.474 7.608 6.260) 9.863 3.448 ( -1.400 1.471 4.823) 5.234 3.531 ( 0.037 3.215 -1.561) 3.574 3.582 ( -0.267 1.763 -1.381) 2.256 3.647 ( 5.143 3.276 3.183) 6.879 3.783 ( -4.835 1.554 -6.460) 8.218 3.888 ( -3.154 3.390 3.104) 5.575 3.923 ( 8.181 7.270 0.333) 10.949 4.069 ( -0.974 7.246 0.990) 7.378 4.113 ( 2.766 5.415 -2.539) 6.590 4.227 ( -0.820 1.940 2.922) 3.602 4.269 ( -4.966 -1.270 -2.684) 5.786 4.313 ( 2.151 -2.228 6.342) 7.057 4.416 ( 2.501 -2.571 -2.394) 4.312 4.496 ( 4.672 -2.498 2.396) 5.814 4.550 ( -7.074 0.284 -5.514) 8.974 4.568 ( 0.449 -5.407 4.694) 7.174 4.668 ( -0.045 -4.128 -3.990) 5.741 4.751 ( -0.698 3.065 3.764) 4.904 4.803 ( -0.381 2.350 -1.147) 2.642 4.863 ( 0.459 -0.798 -1.669) 1.906 4.946 ( -1.747 1.703 -4.345) 4.983 5.022 ( -0.367 -4.015 -2.800) 4.908 5.065 ( 2.686 -1.065 -1.398) 3.210 5.145 ( -1.488 -2.799 2.176) 3.845 5.186 ( 3.849 2.327 -1.235) 4.664 5.367 ( -3.313 -1.443 9.197) 9.881 5.453 ( -2.536 -1.192 5.804) 6.446 5.548 ( 2.112 -2.748 -0.804) 3.558 5.561 ( 4.545 -2.729 -1.661) 5.555 5.764 ( -2.718 1.250 -0.691) 3.070 5.837 ( -2.089 1.867 -8.279) 8.740 6.127 ( 0.203 -0.761 6.310) 6.359 6.198 ( 2.637 1.590 -0.448) 3.112 6.241 ( 1.261 -8.474 3.920) 9.421 6.362 ( -2.092 -7.037 -1.794) 7.558 6.519 ( -1.067 -4.623 -4.048) 6.237 6.525 ( -1.401 -6.989 -7.816) 10.578 6.685 ( 0.396 -2.690 7.849) 8.306 6.741 ( -0.503 -4.248 -1.329) 4.480 6.757 ( 0.616 -5.255 -2.658) 5.921 6.846 ( 1.625 -2.169 -5.494) 6.126 6.956 ( 1.245 -2.272 5.222) 5.829 7.108 ( 0.407 -2.751 -8.331) 8.783 7.428 ( 0.200 2.908 6.590) 7.206 7.494 ( -0.232 -1.016 0.668) 1.238 7.539 ( -0.965 -0.881 1.750) 2.184 7.610 ( 3.467 1.683 -4.356) 5.816 7.709 ( 0.229 -6.234 6.527) 9.029 7.816 ( -3.027 -0.921 -3.376) 4.626 7.842 ( 3.777 3.484 1.445) 5.338 7.902 ( 2.324 2.716 0.794) 3.662 7.918 ( -6.779 4.370 -0.728) 8.098 8.001 ( 0.210 3.779 -5.038) 6.301 8.203 ( 2.123 1.951 3.785) 4.758 8.271 ( -3.995 4.051 -3.033) 6.447 8.400 ( 0.561 4.198 3.214) 5.317 8.452 ( 0.972 4.456 -2.307) 5.111 8.620 ( -2.564 0.155 2.168) 3.361 8.653 ( 2.620 0.949 -1.266) 3.060 12.124 ( 0.569 5.908 1.588) 6.143 12.157 ( -0.314 6.589 -1.889) 6.862 12.749 ( -1.359 -5.560 4.163) 7.077 12.831 ( 1.907 -6.560 -4.300) 8.072 13.916 ( 1.680 -1.898 0.291) 2.551 13.920 ( -1.125 -0.978 -0.087) 1.493 14.072 ( 3.675 -0.751 1.111) 3.912 14.093 ( -1.921 0.056 -1.361) 2.355 14.135 ( 0.449 0.203 0.557) 0.744 14.158 ( -0.758 0.963 -0.951) 1.551 14.243 ( 1.662 2.403 1.448) 3.261 14.285 ( -0.497 0.265 -1.654) 1.747 14.342 ( 2.685 2.704 2.567) 4.595 14.449 ( -4.274 2.128 -7.158) 8.604 14.599 ( 4.949 0.858 4.636) 6.835 14.674 ( -5.359 2.375 -3.050) 6.608 14.715 ( 1.313 0.247 4.150) 4.360 14.786 ( -3.917 1.252 -3.571) 5.446 15.021 ( 1.369 0.940 6.343) 6.557 15.096 ( -3.219 2.113 -1.607) 4.172 17.866 ( 9.617 -7.048 9.769) 15.414 18.042 ( -7.830 0.549 -8.574) 11.624 18.206 ( -0.083 -9.676 5.774) 11.269 18.287 ( 4.254 -0.639 -2.480) 4.965 18.294 ( -0.633 -2.429 2.393) 3.468 18.395 ( -2.765 -6.237 -8.092) 10.584 18.608 ( -3.838 -5.283 4.708) 8.050 18.691 ( 3.647 -3.626 -3.771) 6.377 ======================= Grid point 133 (67/80) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -9.509 6.223 1.482) 11.460 1.417 ( -27.346 9.947 -11.342) 31.231 1.661 ( 11.905 -3.626 -7.032) 14.294 1.988 ( -2.909 -0.326 -4.409) 5.292 2.031 ( -3.476 9.928 1.541) 10.631 2.092 ( -1.557 3.681 -2.574) 4.753 2.206 ( 1.003 4.683 -3.019) 5.662 2.222 ( 1.331 3.765 9.964) 10.734 2.316 ( 5.812 5.680 4.936) 9.509 2.454 ( 9.813 6.879 4.450) 12.783 2.521 ( -0.019 -0.826 -7.811) 7.855 2.593 ( -0.858 7.803 -0.554) 7.869 2.720 ( 3.418 9.141 -1.215) 9.835 2.738 ( -0.941 8.589 -0.570) 8.659 2.823 ( -2.084 7.236 8.790) 11.574 2.876 ( -0.862 9.172 2.742) 9.612 3.006 ( 2.081 1.391 -1.605) 2.973 3.116 ( 5.512 -4.909 2.993) 7.965 3.131 ( 1.829 1.122 0.781) 2.284 3.284 ( 1.775 2.852 2.180) 4.005 3.351 ( -3.953 3.653 -2.263) 5.839 3.439 ( 0.199 9.256 5.552) 10.795 3.539 ( -1.547 2.296 -2.127) 3.491 3.621 ( 5.539 0.201 0.367) 5.555 3.661 ( 1.951 1.379 -3.192) 3.987 3.797 ( -4.809 3.961 -2.388) 6.672 3.815 ( 3.067 -0.250 3.968) 5.022 3.978 ( 0.951 3.467 -6.010) 7.003 4.022 ( -4.716 5.991 -3.225) 8.278 4.083 ( 0.215 2.921 1.305) 3.207 4.210 ( 0.777 -0.715 4.921) 5.033 4.320 ( -4.314 -3.058 -1.985) 5.649 4.336 ( 0.314 -2.873 -1.832) 3.421 4.380 ( 1.543 -0.313 0.170) 1.584 4.447 ( 1.134 0.004 -1.771) 2.103 4.578 ( -0.151 -1.644 5.119) 5.379 4.611 ( 0.853 -2.538 -2.716) 3.814 4.653 ( 1.801 -5.212 1.057) 5.614 4.779 ( 1.795 1.177 1.065) 2.396 4.842 ( -3.515 -3.992 -1.962) 5.669 4.854 ( 2.029 1.243 -1.464) 2.794 4.909 ( -0.639 2.928 5.013) 5.841 4.974 ( 2.339 -3.245 1.927) 4.440 5.041 ( -2.848 1.510 0.631) 3.285 5.109 ( 0.911 -1.152 -4.032) 4.291 5.328 ( 5.750 1.730 -5.078) 7.864 5.363 ( -4.757 -0.233 7.316) 8.730 5.411 ( -5.743 -1.610 -3.559) 6.946 5.513 ( 1.525 -2.297 -1.283) 3.041 5.574 ( -1.272 -5.308 -1.479) 5.655 5.770 ( 1.455 0.303 4.160) 4.418 5.807 ( 1.481 0.922 3.419) 3.839 6.131 ( -3.037 -0.439 0.832) 3.179 6.179 ( 0.734 -1.876 -4.206) 4.663 6.269 ( 0.591 -4.659 -1.492) 4.927 6.389 ( -0.136 -4.359 -2.629) 5.092 6.529 ( 7.609 -4.989 8.142) 12.210 6.570 ( 4.535 -5.237 0.062) 6.928 6.681 ( -2.266 -5.012 2.427) 6.012 6.742 ( 1.387 -4.875 -4.855) 7.019 6.768 ( 1.973 -2.086 0.344) 2.891 6.853 ( 1.674 -0.385 -3.103) 3.547 7.015 ( -1.303 -0.481 7.371) 7.501 7.052 ( 3.028 -6.343 -8.618) 11.121 7.405 ( -7.985 -0.862 -0.417) 8.042 7.457 ( -2.457 1.047 4.471) 5.208 7.509 ( -2.230 -1.859 -4.960) 5.747 7.582 ( -3.450 -0.562 -2.944) 4.570 7.664 ( -3.500 2.622 -3.964) 5.902 7.730 ( -3.975 2.003 4.087) 6.043 7.838 ( -2.417 5.313 3.895) 7.017 7.919 ( 4.113 -0.903 -3.229) 5.306 8.013 ( 3.017 0.630 2.670) 4.078 8.050 ( 6.669 3.311 1.204) 7.542 8.169 ( -2.890 5.254 0.129) 5.998 8.288 ( 1.304 1.858 3.736) 4.371 8.427 ( -0.611 4.862 -3.529) 6.039 8.439 ( 1.704 1.858 0.963) 2.699 8.586 ( -2.629 0.205 1.681) 3.127 8.689 ( 2.449 -0.288 -1.908) 3.117 12.127 ( -0.324 6.392 -0.574) 6.426 12.167 ( 1.917 5.878 -0.084) 6.183 12.752 ( -2.358 -5.811 3.414) 7.140 12.809 ( 0.542 -5.885 -4.324) 7.323 13.890 ( -0.901 -0.464 -0.501) 1.131 13.958 ( 2.398 -1.393 -0.360) 2.797 14.021 ( -3.626 -0.395 -2.701) 4.539 14.120 ( 1.467 -0.470 -0.312) 1.572 14.130 ( -0.175 -0.247 -0.852) 0.904 14.149 ( -0.345 0.738 1.073) 1.347 14.252 ( 0.537 1.651 -2.217) 2.816 14.314 ( 0.654 0.317 -2.255) 2.369 14.349 ( 3.186 3.534 0.310) 4.768 14.461 ( 1.101 1.078 3.078) 3.442 14.549 ( -2.214 2.257 -1.386) 3.452 14.713 ( 1.087 3.435 0.989) 3.736 14.742 ( 1.912 1.349 1.823) 2.966 14.829 ( 5.110 -0.628 6.212) 8.069 15.004 ( -4.180 5.011 -1.374) 6.669 15.111 ( 1.646 -1.820 4.013) 4.704 17.760 ( -9.770 3.864 -7.660) 13.002 18.079 ( 3.660 -5.987 4.169) 8.162 18.221 ( -1.451 -0.766 -0.230) 1.657 18.277 ( 0.593 -9.065 -7.072) 11.513 18.369 ( 3.504 -1.466 -0.907) 3.905 18.397 ( 5.586 -11.872 7.223) 14.977 18.575 ( -4.834 -4.871 4.191) 8.041 18.703 ( 2.470 -4.675 -3.718) 6.464 ======================= Grid point 134 (68/80) ======================= q-point: (-0.17 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.671 15.945 11.537) 19.693 1.106 ( -0.260 11.958 4.991) 12.960 1.671 ( -0.328 0.246 -12.411) 12.417 1.947 ( 3.053 1.810 -3.497) 4.983 2.002 ( -3.441 11.025 3.378) 12.033 2.065 ( 1.140 2.751 0.931) 3.120 2.201 ( -0.564 5.404 0.295) 5.442 2.277 ( -2.570 9.554 3.845) 10.615 2.422 ( 2.464 6.182 0.749) 6.697 2.507 ( 0.189 4.962 -6.175) 7.924 2.548 ( -3.579 6.586 -5.947) 9.568 2.582 ( 0.400 6.444 5.202) 8.291 2.662 ( 1.588 7.998 -0.263) 8.158 2.783 ( 1.712 1.776 2.265) 3.349 2.836 ( -0.554 9.446 2.854) 9.883 2.947 ( 0.970 12.990 7.708) 15.136 3.011 ( 0.717 -0.337 -4.784) 4.849 3.139 ( -1.181 0.713 -5.769) 5.931 3.193 ( 4.513 7.225 -0.640) 8.543 3.265 ( -1.249 3.416 0.523) 3.675 3.299 ( -2.295 6.074 2.178) 6.848 3.491 ( -0.791 1.799 1.999) 2.803 3.596 ( 3.888 1.445 6.655) 7.842 3.667 ( -2.262 -1.990 -2.850) 4.147 3.681 ( -0.844 2.257 2.238) 3.289 3.741 ( -5.535 -0.671 -6.541) 8.595 3.776 ( 3.421 1.537 -0.381) 3.770 3.935 ( 1.926 0.435 -1.139) 2.279 4.022 ( 6.801 0.934 -1.419) 7.010 4.122 ( -0.797 4.160 1.620) 4.535 4.209 ( -1.329 -5.750 -2.556) 6.431 4.230 ( 0.079 -6.183 -5.620) 8.356 4.305 ( -2.194 1.359 -1.669) 3.073 4.380 ( -1.433 -4.473 -2.985) 5.565 4.472 ( 1.934 5.611 2.469) 6.428 4.596 ( -4.305 -5.468 -0.507) 6.978 4.635 ( -2.940 -0.201 -0.193) 2.953 4.666 ( 1.228 -0.515 2.296) 2.654 4.730 ( -1.260 -0.423 -3.085) 3.359 4.797 ( 1.826 -0.229 -0.817) 2.014 4.909 ( 4.212 -2.268 6.280) 7.894 4.992 ( -0.790 -0.350 -0.005) 0.864 5.015 ( 2.897 -0.253 4.179) 5.092 5.073 ( 1.860 -1.774 1.138) 2.811 5.125 ( -0.289 -3.969 4.665) 6.131 5.153 ( -5.813 -1.349 -8.886) 10.704 5.323 ( -1.826 0.255 0.350) 1.876 5.426 ( 2.890 -1.981 0.930) 3.625 5.513 ( -0.600 -3.306 -1.336) 3.616 5.679 ( 7.255 -5.535 8.869) 12.725 5.768 ( 0.188 -4.686 -6.021) 7.632 5.925 ( 1.931 -6.766 8.294) 10.876 6.095 ( 2.723 -1.065 -3.603) 4.640 6.196 ( 0.677 5.640 0.495) 5.702 6.282 ( -0.113 -1.862 0.911) 2.076 6.329 ( -0.078 -2.275 -3.872) 4.491 6.602 ( 0.251 -4.342 -0.523) 4.380 6.628 ( -1.916 -4.867 2.345) 5.732 6.735 ( 2.981 -4.284 -4.305) 6.766 6.791 ( 1.786 -4.814 -1.121) 5.256 6.841 ( 2.233 -2.500 6.126) 6.983 6.859 ( 5.730 -0.819 4.768) 7.500 7.000 ( -2.494 -2.091 -2.351) 4.015 7.047 ( -1.071 -2.249 0.452) 2.532 7.246 ( -6.571 0.134 -1.457) 6.732 7.376 ( -2.899 -3.777 -7.790) 9.130 7.457 ( -4.487 2.776 2.317) 5.763 7.494 ( -0.549 -0.113 2.106) 2.179 7.594 ( 0.443 6.980 -4.505) 8.320 7.736 ( -0.187 3.388 2.663) 4.313 7.849 ( -1.365 3.792 2.727) 4.866 7.886 ( -2.717 2.100 -3.748) 5.083 8.081 ( 1.326 -1.191 4.000) 4.379 8.149 ( 2.083 -0.521 1.043) 2.387 8.187 ( 1.082 4.303 2.155) 4.933 8.342 ( 0.848 3.444 2.496) 4.337 8.365 ( 0.078 3.961 -3.912) 5.567 8.483 ( 1.657 -0.663 0.210) 1.797 8.567 ( -1.448 -0.418 2.281) 2.734 8.696 ( 0.946 -1.652 -3.146) 3.677 12.128 ( 0.681 6.557 0.248) 6.597 12.193 ( 1.523 5.378 -1.603) 5.815 12.735 ( -2.315 -5.149 2.481) 6.167 12.779 ( 0.248 -4.739 -2.839) 5.530 13.889 ( 0.806 0.038 0.170) 0.824 13.942 ( -2.022 -0.318 -1.502) 2.539 14.011 ( 4.466 -0.554 -0.536) 4.532 14.127 ( 0.892 -0.473 -0.204) 1.030 14.143 ( -0.868 -0.892 0.182) 1.258 14.148 ( 0.166 0.508 1.318) 1.422 14.253 ( 2.099 1.864 -2.039) 3.469 14.294 ( 0.708 1.267 -1.710) 2.243 14.383 ( -2.830 0.502 -3.220) 4.316 14.500 ( 6.640 0.217 5.401) 8.562 14.569 ( -1.853 1.875 1.507) 3.037 14.696 ( -1.174 3.906 -0.937) 4.184 14.801 ( 0.985 3.900 1.444) 4.274 14.915 ( -2.356 5.646 1.002) 6.199 14.948 ( -1.771 3.036 0.248) 3.524 15.123 ( -1.808 -2.581 -1.897) 3.678 17.642 ( 1.519 5.229 1.874) 5.759 18.108 ( 0.148 -2.474 -3.553) 4.332 18.201 ( 0.625 -1.013 -0.789) 1.428 18.260 ( 4.123 -10.558 -2.507) 11.608 18.404 ( -1.889 -5.462 -0.626) 5.813 18.438 ( -5.736 -7.875 2.095) 9.965 18.608 ( 2.756 -9.882 6.506) 12.148 18.721 ( 2.604 -5.686 -2.435) 6.711 ======================= Grid point 135 (69/80) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -3.040 13.440 -1.059) 13.820 1.574 ( 3.503 16.349 -2.743) 16.944 1.857 ( 20.385 18.554 15.548) 31.647 2.025 ( 1.438 0.034 0.071) 1.441 2.069 ( -3.372 5.208 -3.851) 7.302 2.145 ( -4.557 5.964 -3.134) 8.133 2.233 ( -8.124 5.706 -4.708) 10.987 2.312 ( -3.248 4.555 -8.190) 9.918 2.548 ( 1.739 4.164 2.784) 5.302 2.596 ( -1.043 2.889 -2.360) 3.874 2.633 ( 6.834 -1.304 5.772) 9.040 2.671 ( -8.726 3.421 2.360) 9.665 2.800 ( 3.116 4.134 0.036) 5.177 2.909 ( 3.470 3.499 -7.380) 8.874 2.948 ( -1.259 0.680 5.514) 5.696 3.027 ( -4.498 -1.628 6.771) 8.290 3.075 ( -0.019 3.270 -3.728) 4.959 3.173 ( -1.045 -3.454 -7.476) 8.302 3.292 ( -1.942 4.393 9.131) 10.317 3.331 ( -0.401 3.391 7.994) 8.692 3.421 ( 3.763 4.748 -3.272) 6.885 3.487 ( -5.015 4.111 -4.270) 7.764 3.593 ( -0.841 6.769 2.698) 7.335 3.647 ( -1.045 4.977 -4.155) 6.567 3.731 ( -1.196 -0.016 8.259) 8.345 3.783 ( 2.268 -2.505 8.367) 9.024 3.881 ( -1.031 -0.653 -0.050) 1.221 3.901 ( 0.543 0.226 -0.920) 1.092 3.971 ( -0.506 -6.175 -6.922) 9.289 4.027 ( 0.294 -6.786 -4.061) 7.913 4.108 ( 5.107 0.116 0.143) 5.110 4.188 ( -1.998 1.681 -5.624) 6.201 4.315 ( 2.900 0.540 3.176) 4.334 4.384 ( 0.167 -0.729 -1.269) 1.473 4.417 ( -1.537 3.757 0.000) 4.060 4.489 ( -2.877 3.535 -4.603) 6.478 4.688 ( 4.366 1.523 1.784) 4.956 4.709 ( -1.743 0.453 1.279) 2.209 4.745 ( -3.803 -4.534 -1.280) 6.055 4.789 ( 1.567 1.825 -2.858) 3.736 4.903 ( 0.076 0.653 5.200) 5.241 4.961 ( -0.305 -0.886 -0.489) 1.057 4.985 ( 1.324 4.754 1.653) 5.205 5.055 ( -0.516 0.539 -3.803) 3.876 5.096 ( 0.377 -4.357 4.900) 6.568 5.210 ( 0.265 -4.251 -4.697) 6.341 5.256 ( -0.135 -2.291 2.319) 3.262 5.288 ( 1.144 -1.880 -0.916) 2.384 5.526 ( -0.640 -2.979 0.927) 3.185 5.588 ( 3.090 -4.873 -4.834) 7.528 5.690 ( 0.153 -8.330 5.417) 9.938 5.801 ( -0.990 -8.732 -5.258) 10.241 6.121 ( 0.197 -4.603 1.152) 4.749 6.137 ( 0.538 -5.298 -0.705) 5.372 6.307 ( -5.623 3.091 2.009) 6.724 6.353 ( 4.205 5.080 -3.495) 7.463 6.487 ( -5.286 -2.965 4.612) 7.616 6.574 ( 4.277 -2.106 -3.496) 5.912 6.694 ( -1.981 -5.616 1.791) 6.218 6.746 ( 3.379 -0.945 -0.405) 3.532 6.821 ( -0.620 -0.520 -1.822) 1.994 6.845 ( 1.781 -1.647 -1.933) 3.101 7.023 ( 1.721 -2.623 8.533) 9.091 7.103 ( 3.467 -1.271 2.905) 4.698 7.171 ( -6.236 -0.824 -1.682) 6.511 7.245 ( 3.314 4.040 -7.598) 9.221 7.453 ( -3.887 -1.023 3.951) 5.636 7.514 ( 3.742 1.034 -1.305) 4.096 7.762 ( 0.203 6.222 2.461) 6.695 7.825 ( -2.204 5.630 -3.721) 7.099 7.903 ( -5.745 6.339 2.798) 9.001 7.956 ( 7.700 8.054 -2.975) 11.532 8.090 ( -0.294 -1.945 2.916) 3.518 8.126 ( -1.192 -2.103 -0.910) 2.583 8.246 ( -0.746 -0.029 4.091) 4.159 8.315 ( -3.581 0.527 -2.495) 4.396 8.461 ( 0.273 -0.468 1.189) 1.307 8.482 ( 1.521 -0.692 0.355) 1.708 8.574 ( 0.771 0.069 1.433) 1.629 8.632 ( 0.652 -1.377 -4.137) 4.409 12.269 ( -1.080 6.482 1.268) 6.692 12.298 ( 1.555 5.552 -1.825) 6.047 12.627 ( -1.298 -5.160 2.344) 5.814 12.669 ( 1.377 -6.093 -2.097) 6.589 13.906 ( -0.608 0.294 0.075) 0.679 13.916 ( 0.839 0.355 -0.749) 1.179 14.079 ( 1.814 -0.448 0.358) 1.902 14.091 ( -1.807 -0.526 -0.819) 2.052 14.188 ( -0.908 2.733 1.747) 3.369 14.194 ( 2.340 2.146 1.039) 3.341 14.316 ( 1.862 1.389 0.100) 2.325 14.332 ( -0.918 1.358 -1.571) 2.270 14.419 ( 4.382 3.926 1.640) 6.108 14.483 ( -6.327 3.996 -4.948) 8.971 14.637 ( 2.883 -1.961 5.837) 6.799 14.719 ( -1.045 -0.762 -2.275) 2.617 14.875 ( -0.895 0.544 2.176) 2.415 14.903 ( -1.893 -0.264 -0.904) 2.115 14.973 ( -3.839 -1.684 -0.892) 4.286 14.978 ( 1.699 -0.138 -0.766) 1.869 17.914 ( -8.410 -0.901 1.100) 8.530 17.936 ( 7.420 2.971 -1.083) 8.066 18.124 ( -10.177 -9.728 4.117) 14.668 18.187 ( 5.373 -3.949 -2.691) 7.191 18.237 ( 1.595 -0.519 0.539) 1.762 18.265 ( 3.438 -2.700 -2.412) 4.993 18.509 ( -0.235 -7.702 4.973) 9.171 18.597 ( 2.316 -7.960 -4.387) 9.379 ======================= Grid point 136 (70/80) ======================= q-point: ( 0.17 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -9.813 9.760 0.376) 13.846 1.647 ( -14.976 13.175 -15.996) 25.568 1.787 ( 11.556 18.456 -1.474) 21.825 1.933 ( -6.070 4.456 -2.189) 7.841 2.073 ( -3.846 0.017 -1.307) 4.062 2.200 ( 1.072 4.324 -0.168) 4.458 2.269 ( -0.161 1.486 0.551) 1.593 2.363 ( 9.998 12.707 14.677) 21.837 2.438 ( -11.720 -5.783 -0.824) 13.095 2.552 ( -3.835 1.030 -2.784) 4.849 2.643 ( 6.228 7.328 2.497) 9.935 2.738 ( -1.166 -0.611 -0.304) 1.351 2.793 ( -4.726 1.575 -2.699) 5.665 2.842 ( -0.496 -1.741 3.164) 3.645 2.959 ( -5.737 1.442 4.962) 7.721 3.012 ( 2.417 4.611 -2.259) 5.675 3.072 ( 1.031 2.307 3.036) 3.950 3.158 ( 0.508 0.147 -1.386) 1.484 3.278 ( -2.264 3.761 1.257) 4.566 3.336 ( -4.985 3.234 -2.867) 6.598 3.411 ( -1.757 3.433 2.712) 4.715 3.490 ( 4.215 5.812 4.720) 8.592 3.620 ( -0.783 4.705 0.198) 4.774 3.657 ( -0.021 0.604 2.944) 3.006 3.753 ( 0.633 3.940 1.339) 4.209 3.800 ( -1.092 -0.522 4.132) 4.306 3.866 ( 0.450 -3.340 -3.695) 5.001 3.933 ( 3.027 3.475 -1.842) 4.963 3.969 ( -1.120 -1.398 -1.726) 2.488 4.039 ( 6.701 0.363 -0.379) 6.722 4.138 ( 5.113 -0.867 -5.332) 7.438 4.236 ( 4.088 4.784 1.447) 6.457 4.328 ( 0.374 2.332 -2.552) 3.478 4.381 ( 3.029 -0.691 -1.549) 3.472 4.450 ( 3.681 -0.654 2.278) 4.378 4.505 ( -0.782 0.643 3.553) 3.694 4.638 ( 1.447 -0.758 -1.614) 2.296 4.741 ( -0.351 -0.607 1.031) 1.246 4.775 ( -1.846 4.632 3.618) 6.160 4.800 ( 0.406 2.529 -5.646) 6.200 4.904 ( 1.741 -2.441 0.882) 3.125 4.946 ( -2.011 -0.229 2.338) 3.092 4.964 ( -0.404 -3.236 0.093) 3.262 5.035 ( -2.184 0.217 -0.723) 2.311 5.094 ( -0.846 -3.875 -1.807) 4.358 5.201 ( -0.410 1.377 -1.952) 2.424 5.246 ( 0.806 -8.604 2.454) 8.983 5.306 ( 0.184 -2.864 -2.099) 3.555 5.460 ( -2.200 -1.248 0.021) 2.529 5.610 ( 0.178 -0.326 -0.465) 0.595 5.680 ( -4.338 -9.586 -4.951) 11.629 5.767 ( 1.019 -7.689 3.145) 8.370 6.121 ( 0.033 -4.867 -1.822) 5.197 6.138 ( -0.449 -4.685 0.305) 4.717 6.250 ( -2.078 2.398 3.843) 4.984 6.410 ( 2.055 5.232 -1.681) 5.867 6.456 ( -3.511 -2.965 6.433) 7.906 6.615 ( 2.411 -4.062 -4.922) 6.822 6.668 ( -1.019 -2.993 0.857) 3.276 6.727 ( -1.981 0.435 -0.811) 2.184 6.765 ( -1.616 -2.397 0.167) 2.896 6.897 ( 0.574 -2.330 -5.181) 5.709 7.011 ( -6.258 -2.066 -2.343) 6.994 7.103 ( 3.386 -5.340 -5.627) 8.464 7.177 ( 3.932 0.958 5.287) 6.658 7.302 ( 5.008 3.062 0.338) 5.879 7.417 ( -2.713 -0.038 3.090) 4.112 7.577 ( 3.992 0.959 -3.778) 5.580 7.719 ( -5.106 9.425 -0.532) 10.733 7.814 ( 1.133 3.422 3.309) 4.893 7.861 ( 0.209 3.619 0.948) 3.747 8.034 ( 1.468 3.809 -1.369) 4.306 8.093 ( -1.579 -3.325 -0.020) 3.680 8.124 ( 1.229 2.233 0.096) 2.551 8.220 ( -4.735 -0.776 2.325) 5.332 8.320 ( 2.505 0.864 5.463) 6.071 8.426 ( -1.065 1.517 -2.055) 2.767 8.520 ( 0.958 0.178 -2.979) 3.134 8.586 ( 0.376 -0.777 2.136) 2.304 8.641 ( 3.014 0.201 -2.736) 4.075 12.248 ( -1.692 6.578 0.627) 6.821 12.312 ( 1.216 5.985 -1.424) 6.271 12.628 ( -1.035 -4.818 2.223) 5.406 12.679 ( 1.888 -6.849 -2.375) 7.491 13.892 ( -0.815 0.529 0.308) 1.019 13.929 ( 1.091 -0.390 -0.523) 1.271 14.026 ( -3.803 1.322 -0.862) 4.117 14.120 ( 1.474 -0.704 0.567) 1.729 14.160 ( -1.774 2.261 -1.393) 3.193 14.225 ( 0.938 2.593 -1.207) 3.010 14.269 ( -3.574 1.945 -0.460) 4.095 14.333 ( -0.673 2.342 -0.677) 2.529 14.364 ( 0.474 2.740 0.934) 2.933 14.557 ( 0.440 -0.493 -0.112) 0.670 14.609 ( -2.119 0.509 -2.309) 3.175 14.690 ( -0.831 -0.884 1.962) 2.307 14.841 ( -1.696 0.374 3.020) 3.483 14.915 ( -2.340 -1.942 2.992) 4.265 14.984 ( 4.203 0.869 -0.003) 4.292 15.044 ( 3.569 -0.797 1.342) 3.895 17.640 ( -14.379 -3.861 3.159) 15.220 17.933 ( -12.053 -14.108 5.827) 19.449 18.122 ( 5.513 5.684 -1.569) 8.073 18.218 ( 1.784 2.551 -0.582) 3.167 18.328 ( 5.857 -2.118 -0.496) 6.248 18.377 ( 9.233 -4.207 -3.573) 10.757 18.530 ( -1.661 -7.051 3.400) 8.002 18.584 ( 2.409 -7.205 -7.777) 10.872 ======================= Grid point 137 (71/80) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -2.512 5.141 2.839) 6.388 1.502 ( 8.724 11.039 2.151) 14.234 1.764 ( -5.391 8.150 -9.842) 13.869 1.951 ( 4.520 6.488 2.731) 8.366 2.031 ( 1.851 5.854 2.164) 6.510 2.190 ( -1.078 3.715 -1.087) 4.018 2.266 ( -6.392 -8.198 2.457) 10.681 2.275 ( -3.852 0.032 6.255) 7.346 2.403 ( -6.802 -0.003 -1.915) 7.067 2.513 ( -0.687 5.489 -5.776) 7.998 2.642 ( -1.321 -0.093 4.712) 4.895 2.666 ( -7.687 0.879 3.545) 8.511 2.849 ( -2.268 4.382 2.448) 5.508 2.878 ( 7.139 2.974 0.890) 7.785 2.941 ( 0.606 -0.758 2.828) 2.990 3.028 ( 0.654 3.530 -6.352) 7.296 3.085 ( -4.988 0.644 -4.430) 6.702 3.096 ( -1.229 7.779 0.401) 7.886 3.213 ( -0.592 2.171 -6.003) 6.411 3.299 ( 1.430 -2.458 4.785) 5.567 3.352 ( -8.259 3.706 0.808) 9.088 3.546 ( -3.556 8.323 5.626) 10.657 3.635 ( 0.566 4.447 5.601) 7.174 3.682 ( -4.198 -1.389 -4.586) 6.370 3.705 ( 2.025 1.473 2.266) 3.377 3.817 ( 0.224 8.065 -1.442) 8.196 3.901 ( 6.503 4.236 0.386) 7.770 4.008 ( 1.338 -1.095 4.275) 4.612 4.062 ( 4.324 6.982 -1.137) 8.291 4.116 ( 8.440 4.406 4.998) 10.753 4.205 ( 4.111 -1.204 -6.061) 7.422 4.262 ( 1.751 2.400 -2.722) 4.030 4.337 ( 1.240 -3.379 -5.135) 6.271 4.385 ( -0.614 4.238 -1.570) 4.561 4.451 ( -3.187 0.706 -1.269) 3.502 4.551 ( 0.893 -4.004 -1.222) 4.280 4.676 ( -2.371 1.879 -2.810) 4.129 4.699 ( 2.694 2.205 2.991) 4.589 4.733 ( -0.911 1.801 -2.947) 3.572 4.801 ( 2.409 -2.109 2.553) 4.095 4.862 ( -0.744 -1.396 -4.796) 5.051 4.959 ( -4.372 -4.083 -1.012) 6.067 5.002 ( -1.076 2.043 5.010) 5.516 5.051 ( 3.978 -3.888 6.151) 8.293 5.086 ( 2.098 -1.965 2.317) 3.692 5.123 ( -3.492 -1.610 -2.922) 4.830 5.284 ( 1.633 -4.299 -1.221) 4.758 5.356 ( 2.643 -4.664 2.550) 5.936 5.437 ( -3.806 -0.087 3.016) 4.857 5.570 ( 0.240 3.308 -3.475) 4.804 5.640 ( 3.533 -9.175 1.923) 10.017 5.805 ( 0.878 -4.373 1.294) 4.644 6.095 ( -0.812 -2.202 -0.387) 2.379 6.123 ( -0.332 -4.697 -1.472) 4.934 6.272 ( -0.918 0.993 0.843) 1.593 6.354 ( -4.518 3.430 -0.384) 5.686 6.487 ( 0.579 -2.240 4.262) 4.849 6.571 ( -1.718 -3.545 -3.387) 5.196 6.639 ( -7.021 -3.269 0.217) 7.748 6.685 ( -1.655 -4.015 -3.176) 5.381 6.739 ( 0.443 1.875 -3.980) 4.422 6.816 ( 0.051 -3.818 1.875) 4.254 6.906 ( -1.359 1.067 -4.543) 4.861 7.116 ( 3.022 -3.088 -7.156) 8.359 7.323 ( 6.271 -4.186 3.555) 8.336 7.380 ( 1.625 -4.231 3.123) 5.504 7.436 ( 0.310 1.840 4.813) 5.162 7.591 ( 3.449 -0.292 -4.957) 6.046 7.656 ( -2.044 7.022 1.630) 7.492 7.844 ( 0.760 1.991 -1.465) 2.586 7.905 ( 0.756 3.586 1.887) 4.122 8.000 ( -3.939 2.010 0.821) 4.498 8.068 ( -2.671 0.505 -0.266) 2.732 8.084 ( -2.494 -0.568 1.656) 3.047 8.207 ( 0.353 2.783 0.298) 2.821 8.377 ( -0.372 -0.424 -2.611) 2.671 8.437 ( 1.669 4.185 3.969) 6.004 8.498 ( 1.603 2.138 -2.695) 3.795 8.625 ( 0.172 0.164 2.984) 2.993 8.659 ( 2.391 0.848 -3.444) 4.278 12.233 ( -0.607 6.853 1.069) 6.962 12.309 ( 0.152 6.283 -1.838) 6.548 12.633 ( -0.932 -5.009 2.532) 5.689 12.689 ( 1.852 -7.483 -2.560) 8.123 13.884 ( -0.132 0.494 0.300) 0.593 13.940 ( -1.165 -0.134 0.464) 1.261 13.984 ( 1.337 1.080 1.078) 2.029 14.125 ( -0.908 -1.158 -1.706) 2.253 14.138 ( 0.853 2.364 -0.100) 2.516 14.213 ( -0.260 2.478 -0.469) 2.536 14.254 ( 0.422 2.242 0.398) 2.316 14.314 ( -1.199 1.942 0.654) 2.374 14.412 ( 0.701 0.578 1.741) 1.964 14.452 ( -1.090 0.021 -0.833) 1.372 14.635 ( -0.090 2.679 -1.041) 2.876 14.683 ( -1.064 -0.253 1.368) 1.752 14.820 ( -3.076 0.691 -1.130) 3.349 14.895 ( -4.279 -2.545 -0.004) 4.979 14.980 ( -1.477 -0.790 -0.704) 1.817 15.107 ( 1.986 -2.363 -0.608) 3.146 17.552 ( -2.987 -3.992 13.057) 13.976 17.857 ( -5.129 -14.352 12.112) 19.468 18.148 ( 2.072 1.833 -5.988) 6.597 18.254 ( 2.829 2.383 -0.965) 3.823 18.349 ( -1.170 -1.609 -1.377) 2.419 18.444 ( 1.675 -3.526 -12.652) 13.240 18.523 ( -2.377 -5.806 3.064) 6.982 18.575 ( 5.703 -3.285 -4.585) 8.021 ======================= Grid point 138 (72/80) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 8.930 -0.572 5.183) 10.341 1.536 ( -4.338 10.966 -13.900) 18.229 1.870 ( 14.620 1.998 10.980) 18.393 2.014 ( -5.750 3.125 -2.938) 7.174 2.112 ( 0.446 6.719 3.522) 7.599 2.159 ( 4.443 2.374 0.063) 5.038 2.220 ( -1.918 -5.295 9.161) 10.754 2.248 ( -3.228 4.606 2.667) 6.225 2.356 ( -1.238 -1.561 -1.203) 2.327 2.403 ( -0.352 3.564 -9.981) 10.604 2.570 ( -0.485 3.279 5.817) 6.695 2.698 ( -3.424 -2.269 -1.417) 4.345 2.792 ( -4.677 2.385 -1.835) 5.562 2.854 ( 2.466 5.365 -2.302) 6.337 2.959 ( -2.993 3.042 2.670) 5.034 2.984 ( -2.222 2.504 0.359) 3.367 3.014 ( 3.180 1.832 -1.017) 3.809 3.045 ( 0.354 1.518 -5.910) 6.113 3.184 ( -9.088 5.103 0.948) 10.466 3.235 ( 6.826 3.791 -3.675) 8.630 3.415 ( 3.442 -2.366 8.444) 9.421 3.518 ( -6.024 5.488 3.384) 8.824 3.639 ( 1.745 3.904 2.025) 4.731 3.700 ( -1.781 7.588 7.043) 10.505 3.747 ( -0.296 0.011 -1.697) 1.723 3.791 ( 1.242 7.615 -2.730) 8.185 3.952 ( -4.152 4.503 1.950) 6.428 4.039 ( 7.083 4.131 2.002) 8.441 4.116 ( -2.911 -4.629 -8.085) 9.761 4.192 ( -3.712 -0.385 -6.575) 7.560 4.212 ( 1.373 3.671 2.455) 4.625 4.256 ( 0.684 0.586 -4.001) 4.101 4.318 ( 3.583 2.332 3.079) 5.268 4.377 ( 1.497 -1.327 -2.141) 2.930 4.493 ( 5.234 -1.164 3.120) 6.203 4.508 ( 0.134 1.503 3.107) 3.454 4.578 ( -8.302 2.015 -5.425) 10.120 4.628 ( 0.266 0.300 -5.196) 5.212 4.803 ( -1.025 2.343 3.957) 4.712 4.861 ( 3.024 2.312 -2.425) 4.514 4.866 ( -0.134 1.884 1.860) 2.651 4.948 ( 0.594 -0.171 -6.102) 6.133 4.985 ( -6.514 -4.402 2.136) 8.147 5.005 ( 6.124 -2.840 -0.432) 6.764 5.115 ( -2.198 1.768 4.753) 5.527 5.216 ( -0.176 -3.410 -3.556) 4.930 5.244 ( 1.780 -5.855 11.777) 13.272 5.423 ( 0.257 -3.494 0.553) 3.546 5.487 ( -0.035 -2.808 -0.192) 2.814 5.500 ( 2.304 -2.304 -4.954) 5.930 5.767 ( 1.260 -1.242 3.155) 3.617 5.821 ( 1.797 -1.253 -2.353) 3.215 6.108 ( -0.357 -4.005 3.974) 5.653 6.143 ( 3.435 0.862 4.806) 5.970 6.186 ( -2.021 -2.910 -3.518) 4.993 6.286 ( -6.557 -3.497 -5.085) 9.005 6.436 ( -0.258 -1.180 -0.553) 1.328 6.499 ( -0.077 1.500 -4.390) 4.640 6.627 ( -2.931 -4.319 4.182) 6.689 6.637 ( 1.966 -4.386 0.814) 4.875 6.749 ( 2.334 3.041 -1.892) 4.275 6.816 ( 2.121 -0.189 -5.223) 5.641 6.914 ( 0.447 -1.237 5.172) 5.337 7.060 ( -0.277 -2.003 -8.527) 8.763 7.412 ( -1.898 -5.884 3.089) 6.911 7.430 ( 1.391 -4.732 0.926) 5.018 7.488 ( -0.725 -2.571 5.132) 5.786 7.599 ( 1.818 -3.096 -5.462) 6.536 7.684 ( 0.987 4.325 5.275) 6.893 7.796 ( -0.616 0.993 -5.617) 5.737 7.923 ( -0.744 2.818 2.292) 3.708 7.950 ( 0.206 1.610 -1.072) 1.945 8.010 ( -3.544 4.881 3.757) 7.107 8.092 ( 1.718 5.047 -2.244) 5.784 8.229 ( 0.707 0.667 3.667) 3.793 8.318 ( -2.045 0.785 -4.170) 4.710 8.475 ( -0.380 3.358 3.083) 4.575 8.520 ( 0.957 2.292 -1.382) 2.843 8.632 ( -1.808 1.122 1.599) 2.662 8.675 ( 2.609 0.986 -2.800) 3.952 12.247 ( 0.380 6.705 1.756) 6.942 12.286 ( -0.199 6.517 -2.331) 6.924 12.640 ( -1.315 -5.640 2.826) 6.444 12.694 ( 1.453 -7.433 -2.852) 8.093 13.903 ( 1.175 0.411 1.129) 1.681 13.920 ( -0.703 0.776 -0.550) 1.183 14.040 ( 2.281 -1.905 1.105) 3.170 14.071 ( -2.135 -1.811 -2.279) 3.610 14.176 ( 0.598 3.353 1.630) 3.776 14.208 ( 0.136 3.482 -1.105) 3.656 14.292 ( 2.909 1.566 2.049) 3.888 14.302 ( -0.353 2.399 0.041) 2.426 14.411 ( 1.689 3.574 2.634) 4.750 14.496 ( -1.912 2.047 -4.185) 5.036 14.605 ( 1.483 0.258 3.419) 3.736 14.674 ( -2.936 -1.381 -0.845) 3.353 14.722 ( -1.317 0.492 -1.424) 2.001 14.773 ( -2.174 -1.949 -4.937) 5.735 15.000 ( -1.008 -2.909 6.352) 7.059 15.101 ( 0.083 -2.062 -3.663) 4.204 17.741 ( 4.419 -5.158 18.311) 19.530 17.957 ( 0.077 -12.278 15.653) 19.893 18.058 ( -2.071 0.708 -14.331) 14.497 18.240 ( -0.560 -5.067 -12.280) 13.296 18.320 ( -0.040 1.964 -0.391) 2.003 18.327 ( -0.425 1.648 -3.232) 3.653 18.511 ( -3.095 -4.753 4.550) 7.271 18.612 ( 3.340 -4.465 -6.136) 8.291 ======================= Grid point 139 (73/80) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 1.986 15.782 -11.248) 19.481 1.583 ( 6.242 1.111 1.611) 6.541 1.684 ( -9.742 11.425 -9.153) 17.585 2.014 ( -4.665 4.951 -5.138) 8.525 2.131 ( -2.070 -0.431 -4.492) 4.965 2.165 ( 2.666 3.452 1.324) 4.558 2.188 ( -4.242 -2.248 8.241) 9.537 2.362 ( 10.866 2.448 3.400) 11.645 2.397 ( 4.530 1.505 -2.193) 5.253 2.453 ( 3.725 1.777 -2.327) 4.738 2.596 ( 2.087 4.496 4.520) 6.708 2.719 ( 1.250 1.856 5.427) 5.870 2.833 ( -1.847 1.186 3.942) 4.512 2.896 ( 7.036 4.410 -4.226) 9.318 2.944 ( -0.976 5.468 6.381) 8.460 2.986 ( 1.340 -1.141 0.932) 1.991 3.004 ( -2.749 0.525 -1.447) 3.151 3.085 ( 2.091 0.165 1.132) 2.383 3.095 ( 4.100 4.047 0.798) 5.816 3.352 ( 6.014 3.333 1.284) 6.995 3.415 ( -4.606 0.549 -3.404) 5.753 3.548 ( 0.425 2.541 4.688) 5.349 3.637 ( 0.152 -0.376 -0.603) 0.727 3.673 ( -4.666 5.122 3.318) 7.682 3.740 ( 0.687 7.404 3.003) 8.019 3.803 ( -0.115 5.426 -2.729) 6.075 3.911 ( -4.626 5.503 2.000) 7.462 4.029 ( -0.590 1.985 -4.932) 5.349 4.070 ( -1.228 -2.002 2.558) 3.472 4.124 ( -6.940 2.722 -3.490) 8.231 4.195 ( -0.925 -1.936 3.572) 4.167 4.246 ( -0.725 -0.221 -2.202) 2.329 4.333 ( -1.744 -0.136 -8.612) 8.788 4.380 ( 1.928 1.822 1.458) 3.027 4.420 ( 2.340 -3.349 0.415) 4.107 4.550 ( -0.198 0.361 1.949) 1.992 4.607 ( 1.865 1.024 0.190) 2.136 4.662 ( 3.115 5.225 3.811) 7.178 4.769 ( -2.366 -1.742 3.128) 4.291 4.788 ( -5.676 -3.822 -3.246) 7.574 4.859 ( 0.328 -0.246 -2.794) 2.824 4.938 ( 2.786 1.595 -0.217) 3.217 4.990 ( 2.896 4.113 4.920) 7.036 5.054 ( -1.504 -0.696 0.831) 1.854 5.111 ( -2.792 1.450 -4.942) 5.858 5.245 ( 0.674 -8.059 2.393) 8.434 5.348 ( -1.825 -4.487 -10.936) 11.960 5.380 ( -5.837 -1.503 0.958) 6.103 5.398 ( 7.632 -4.346 3.482) 9.448 5.531 ( 0.142 0.205 0.229) 0.338 5.735 ( -2.546 -4.463 -5.008) 7.175 5.816 ( 0.104 -0.211 -0.223) 0.325 6.107 ( -4.133 -2.088 -2.436) 5.232 6.115 ( 0.215 -5.049 -0.000) 5.054 6.208 ( 3.726 0.525 3.446) 5.103 6.361 ( 6.225 -1.103 6.646) 9.173 6.482 ( 2.842 0.852 0.020) 2.967 6.509 ( 3.242 -1.835 1.419) 3.986 6.592 ( 0.286 -3.686 1.761) 4.095 6.688 ( 0.880 -0.255 -0.484) 1.036 6.751 ( 1.111 -0.107 -4.459) 4.596 6.851 ( 5.211 -0.954 -2.449) 5.836 6.932 ( -2.295 -4.229 -2.793) 5.564 6.995 ( -1.017 -2.098 2.235) 3.230 7.346 ( -6.270 -3.893 1.252) 7.486 7.418 ( -1.840 -4.509 -0.803) 4.936 7.483 ( -4.570 -1.377 4.336) 6.448 7.544 ( -1.013 -2.962 -5.596) 6.412 7.732 ( 2.470 4.665 -2.833) 5.990 7.782 ( 0.418 4.345 2.208) 4.891 7.935 ( 1.883 1.570 -1.052) 2.668 7.977 ( -1.599 6.796 4.735) 8.436 8.026 ( 1.823 1.247 2.239) 3.145 8.114 ( 2.997 3.238 -1.990) 4.840 8.243 ( -1.353 2.138 -2.558) 3.598 8.293 ( 0.676 -0.943 5.189) 5.317 8.474 ( -0.979 1.547 0.142) 1.836 8.506 ( -1.224 2.735 -1.164) 3.214 8.596 ( -3.181 0.987 1.165) 3.529 8.687 ( 1.350 -0.238 -2.807) 3.124 12.258 ( -0.095 6.939 -0.688) 6.974 12.280 ( 0.993 5.904 0.299) 5.994 12.637 ( -1.755 -5.963 2.580) 6.730 12.686 ( 0.729 -6.745 -2.747) 7.319 13.895 ( -0.336 0.880 -0.987) 1.364 13.946 ( 2.139 0.034 0.174) 2.146 14.010 ( -2.261 -0.607 -1.639) 2.858 14.091 ( 1.832 -1.824 1.520) 2.999 14.154 ( -2.018 2.630 -1.117) 3.498 14.200 ( -0.512 3.379 -0.012) 3.418 14.286 ( 0.612 2.115 -2.513) 3.341 14.340 ( 1.033 1.599 -1.669) 2.531 14.418 ( 1.130 3.309 -0.661) 3.558 14.469 ( -2.666 -0.362 -0.596) 2.755 14.612 ( 1.073 4.045 0.745) 4.251 14.724 ( 1.533 -2.572 3.859) 4.885 14.740 ( 4.286 -0.193 0.961) 4.396 14.809 ( 5.402 -0.873 4.194) 6.894 15.038 ( -1.114 -2.629 1.802) 3.376 15.059 ( -0.435 -2.535 -0.396) 2.602 17.838 ( -2.350 3.893 -16.623) 17.234 17.970 ( 2.060 -4.648 13.093) 14.046 18.105 ( 1.196 -8.614 -7.451) 11.452 18.141 ( 2.343 -8.881 8.483) 12.503 18.264 ( -2.551 1.486 0.270) 2.965 18.356 ( 0.880 -0.129 -0.287) 0.934 18.486 ( -4.921 -4.253 4.683) 8.015 18.600 ( 1.878 -6.020 -4.962) 8.024 ======================= Grid point 140 (74/80) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 2.944 18.465 5.755) 19.564 1.458 ( 11.847 22.185 -9.861) 27.014 1.756 ( -3.682 8.375 1.402) 9.255 1.934 ( 4.786 -1.602 -3.768) 6.299 2.075 ( 1.536 1.154 -0.780) 2.074 2.163 ( -2.119 5.661 2.032) 6.377 2.275 ( 1.733 0.442 3.494) 3.925 2.448 ( 6.582 -3.306 -2.922) 7.924 2.500 ( 1.458 9.334 3.134) 9.954 2.583 ( 6.116 2.137 -5.508) 8.504 2.662 ( 2.850 2.927 0.535) 4.120 2.683 ( -7.883 3.173 2.042) 8.739 2.755 ( -5.670 7.308 2.514) 9.585 2.906 ( -1.983 -2.605 0.115) 3.276 2.955 ( 1.746 8.895 -1.955) 9.273 3.026 ( -0.352 3.107 2.490) 3.997 3.072 ( 6.396 -3.914 -2.553) 7.921 3.161 ( 3.054 5.524 1.833) 6.572 3.209 ( 3.025 -3.759 5.689) 7.460 3.312 ( -1.395 -0.429 -3.384) 3.685 3.419 ( -1.463 5.843 4.024) 7.244 3.560 ( -1.423 4.276 2.847) 5.331 3.652 ( -0.386 2.538 5.461) 6.034 3.687 ( -1.311 -0.823 -5.025) 5.258 3.718 ( -3.155 4.888 2.380) 6.285 3.742 ( -6.617 4.983 -0.338) 8.290 3.847 ( 2.486 4.676 -1.195) 5.429 3.934 ( -3.527 -1.514 -0.982) 3.962 4.022 ( 1.134 -1.080 -3.608) 3.933 4.081 ( -3.992 -5.940 0.555) 7.179 4.113 ( -1.132 -2.260 -4.883) 5.498 4.221 ( -0.296 2.522 0.614) 2.612 4.325 ( 1.165 -0.002 -0.499) 1.267 4.354 ( -3.299 2.652 -0.598) 4.275 4.468 ( -0.773 -3.319 -0.090) 3.409 4.561 ( 0.991 2.228 -2.672) 3.618 4.680 ( 2.270 1.624 5.002) 5.728 4.689 ( -1.915 1.131 -4.189) 4.743 4.742 ( 2.156 4.261 4.105) 6.297 4.798 ( 0.242 -0.185 -1.072) 1.114 4.835 ( 1.017 -4.500 4.878) 6.714 4.961 ( -2.555 -1.376 -1.285) 3.174 5.035 ( -1.775 -0.211 -0.603) 1.886 5.053 ( 0.809 -0.381 -1.438) 1.693 5.077 ( 1.466 -0.943 2.371) 2.942 5.163 ( -2.388 2.974 -4.629) 5.998 5.243 ( 2.600 -9.472 -0.393) 9.830 5.324 ( -2.713 -3.373 1.337) 4.530 5.483 ( 0.652 0.205 -3.086) 3.160 5.600 ( 3.123 -0.827 0.835) 3.336 5.668 ( 1.190 -7.902 -3.862) 8.875 5.819 ( 1.436 -4.899 -1.615) 5.354 6.076 ( 1.087 -2.835 1.735) 3.497 6.136 ( 0.714 -7.722 0.237) 7.758 6.313 ( 2.390 4.943 3.435) 6.477 6.380 ( -1.030 5.749 -4.613) 7.443 6.530 ( -2.192 -4.046 3.473) 5.765 6.548 ( 1.854 -2.415 -1.476) 3.384 6.682 ( 0.725 -0.185 -0.475) 0.886 6.716 ( -0.065 -3.587 -0.947) 3.710 6.760 ( 7.260 -3.055 5.900) 9.841 6.844 ( -1.430 -2.549 -2.408) 3.787 6.954 ( 3.533 -3.783 2.607) 5.796 6.997 ( 0.061 -3.287 1.641) 3.675 7.262 ( -2.740 1.445 -0.878) 3.220 7.331 ( -5.422 -0.423 -3.381) 6.404 7.470 ( -2.426 -0.973 5.638) 6.214 7.486 ( 0.615 -1.279 -3.300) 3.593 7.750 ( 2.391 8.823 -2.972) 9.612 7.820 ( 2.111 5.000 1.475) 5.624 7.923 ( -0.060 2.801 -4.204) 5.052 7.976 ( -4.840 7.264 5.400) 10.264 8.068 ( 0.469 -0.427 1.810) 1.918 8.138 ( 0.987 0.178 -0.943) 1.377 8.233 ( 0.058 0.272 0.735) 0.786 8.358 ( 1.926 -1.322 3.107) 3.887 8.436 ( -2.246 2.692 -4.136) 5.422 8.478 ( 0.617 0.031 0.740) 0.964 8.563 ( -2.442 0.116 3.011) 3.879 8.668 ( 0.169 -1.524 -3.707) 4.012 12.260 ( 0.816 6.839 -0.184) 6.890 12.296 ( 0.382 5.403 -0.159) 5.419 12.630 ( -1.593 -5.629 2.416) 6.330 12.672 ( 0.583 -6.089 -2.200) 6.500 13.895 ( 0.846 0.565 -0.246) 1.047 13.938 ( -1.485 -0.335 -1.394) 2.064 14.020 ( 3.686 1.385 0.216) 3.944 14.120 ( -0.341 -0.924 0.544) 1.125 14.138 ( 1.035 1.816 0.506) 2.151 14.188 ( -1.081 2.564 1.550) 3.185 14.287 ( 1.783 1.875 -1.764) 3.132 14.341 ( 1.171 2.606 -1.339) 3.155 14.397 ( -1.788 0.696 -1.958) 2.741 14.500 ( 4.866 -0.132 3.777) 6.161 14.610 ( -2.504 2.585 -0.479) 3.631 14.726 ( 1.185 -0.584 -1.906) 2.320 14.843 ( 1.186 0.829 2.134) 2.578 14.933 ( 1.336 -1.358 3.519) 4.002 14.994 ( -1.186 0.217 -2.672) 2.931 15.058 ( -2.504 -4.009 0.173) 4.730 17.752 ( 7.654 5.646 -8.332) 12.645 18.052 ( -1.550 -3.265 3.419) 4.975 18.078 ( 5.930 -7.228 -6.342) 11.298 18.206 ( -1.940 -0.080 1.818) 2.659 18.258 ( -5.528 -7.298 7.043) 11.551 18.329 ( -3.806 -2.524 -0.540) 4.598 18.456 ( -1.369 -6.047 5.540) 8.314 18.595 ( 2.012 -7.278 -3.583) 8.358 ======================= Grid point 141 (75/80) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -14.044 17.749 4.867) 23.151 1.912 ( 9.967 13.080 -0.803) 16.464 2.017 ( 4.147 -0.562 5.313) 6.763 2.098 ( -4.757 -2.022 0.345) 5.180 2.195 ( 5.674 6.381 5.892) 10.374 2.232 ( 8.385 6.682 1.183) 10.787 2.316 ( 0.674 6.013 0.406) 6.064 2.424 ( -9.006 0.504 -5.744) 10.694 2.440 ( 4.650 -8.365 4.149) 10.431 2.501 ( -5.716 -4.983 -1.863) 7.808 2.620 ( 3.945 -3.378 3.412) 6.214 2.705 ( -12.217 -4.697 -2.732) 13.371 2.790 ( -4.024 0.898 6.227) 7.468 2.853 ( -3.907 -2.342 -1.386) 4.761 2.972 ( 4.253 0.873 -7.845) 8.967 3.011 ( 8.576 -4.873 -9.553) 13.732 3.212 ( -1.373 10.964 2.912) 11.427 3.235 ( 4.509 8.891 1.949) 10.158 3.292 ( -1.883 -0.143 3.565) 4.034 3.390 ( 6.118 -2.004 5.792) 8.660 3.441 ( -4.071 -0.839 -7.056) 8.190 3.517 ( -5.448 -6.271 -7.104) 10.930 3.644 ( -0.781 1.988 4.989) 5.426 3.670 ( -0.313 2.255 1.364) 2.654 3.724 ( 0.236 -2.773 7.695) 8.183 3.749 ( -0.969 -4.463 1.120) 4.703 3.882 ( 0.999 2.669 0.681) 2.930 3.942 ( 0.838 -2.361 -2.926) 3.852 3.951 ( -0.384 7.574 -0.969) 7.645 3.980 ( 0.438 4.508 -3.493) 5.720 4.113 ( 4.402 -1.240 2.218) 5.083 4.167 ( -2.763 -5.145 -2.669) 6.421 4.348 ( 2.770 2.677 0.535) 3.889 4.373 ( 0.271 -0.147 -1.490) 1.521 4.498 ( -0.749 3.842 -1.985) 4.389 4.538 ( -1.225 0.832 -5.072) 5.284 4.652 ( -2.280 -0.787 -0.055) 2.413 4.690 ( -0.086 -0.866 -1.169) 1.457 4.724 ( 0.314 -2.093 -0.028) 2.116 4.793 ( 0.460 -4.970 -4.534) 6.743 4.907 ( 1.124 3.291 6.572) 7.436 4.955 ( -1.617 2.278 1.340) 3.098 5.015 ( 2.909 -0.255 7.526) 8.073 5.107 ( 2.604 -2.696 -0.619) 3.799 5.132 ( 3.083 6.248 1.948) 7.235 5.192 ( -5.980 5.026 -6.002) 9.851 5.249 ( -0.902 -0.130 -0.514) 1.046 5.269 ( 3.871 -0.099 -1.659) 4.213 5.466 ( 0.251 -1.853 2.499) 3.121 5.524 ( 0.019 -3.779 -0.520) 3.814 5.547 ( -0.822 -3.224 -0.926) 3.453 5.633 ( -2.390 -7.703 -7.162) 10.786 6.026 ( 0.984 -2.494 1.873) 3.270 6.045 ( 1.883 -3.834 0.015) 4.272 6.372 ( -6.165 1.949 2.393) 6.895 6.392 ( -2.454 -0.776 0.870) 2.717 6.487 ( -2.553 3.133 3.010) 5.039 6.571 ( -2.975 -3.183 4.069) 5.961 6.625 ( 4.622 3.320 -8.105) 9.903 6.712 ( 4.657 -3.167 -7.267) 9.194 6.816 ( 3.391 0.571 2.051) 4.004 6.833 ( 1.164 -0.460 0.908) 1.546 6.962 ( 2.188 -1.603 2.745) 3.858 7.004 ( 4.709 -5.433 -1.546) 7.354 7.234 ( -8.571 4.187 6.497) 11.542 7.289 ( -3.752 -0.814 3.642) 5.292 7.457 ( 2.664 1.941 -2.046) 3.879 7.502 ( 6.096 -1.944 -3.855) 7.470 7.878 ( -1.265 5.459 1.766) 5.875 7.916 ( -0.877 3.414 -1.499) 3.831 7.991 ( -3.171 -0.314 1.435) 3.495 8.027 ( -0.631 -2.884 -1.767) 3.441 8.100 ( 0.193 6.049 4.872) 7.770 8.176 ( 0.188 7.337 -3.428) 8.101 8.210 ( -1.184 -3.870 5.187) 6.579 8.289 ( -2.257 -3.499 -2.867) 5.055 8.445 ( 1.097 -0.692 1.102) 1.702 8.453 ( 0.010 -1.498 0.965) 1.782 8.584 ( 1.318 0.865 -1.176) 1.967 8.606 ( 1.579 -1.311 -3.161) 3.769 12.396 ( -0.732 6.300 0.397) 6.355 12.405 ( 1.098 5.145 -0.543) 5.289 12.527 ( -0.254 -4.872 1.219) 5.028 12.545 ( 0.121 -6.393 -0.653) 6.427 13.915 ( -0.092 0.454 0.047) 0.466 13.920 ( 0.268 -0.042 -0.409) 0.491 14.080 ( 0.469 0.303 0.355) 0.662 14.085 ( -1.032 -0.210 -0.167) 1.066 14.236 ( -0.091 1.876 1.906) 2.676 14.239 ( 1.143 1.704 1.767) 2.707 14.335 ( 0.646 0.473 0.471) 0.929 14.343 ( -1.024 -0.234 -0.241) 1.078 14.499 ( 4.649 4.034 1.808) 6.415 14.549 ( -1.077 0.760 -2.181) 2.548 14.607 ( -0.625 0.900 2.188) 2.448 14.674 ( -1.852 -3.643 -3.541) 5.407 14.878 ( -4.382 0.657 0.744) 4.493 14.902 ( 1.036 0.529 -1.264) 1.718 14.918 ( -1.889 -2.329 -0.887) 3.128 14.950 ( 4.307 -2.735 -3.317) 6.086 17.879 ( -18.099 0.215 7.893) 19.747 17.936 ( -12.779 -5.243 6.901) 15.440 18.051 ( 13.168 2.774 -5.334) 14.476 18.110 ( 14.366 -3.518 -6.544) 16.174 18.280 ( 0.410 4.031 0.541) 4.087 18.293 ( 0.081 5.216 -0.748) 5.270 18.376 ( 0.217 -5.956 2.975) 6.661 18.436 ( 1.660 -8.377 -3.442) 9.208 ======================= Grid point 142 (76/80) ======================= q-point: ( 0.17 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -13.866 20.080 9.678) 26.252 1.913 ( -18.322 12.859 -8.119) 23.811 1.958 ( -6.227 -5.137 -1.374) 8.188 2.054 ( -2.241 6.569 -1.160) 7.037 2.117 ( 1.392 1.216 3.219) 3.711 2.244 ( -0.505 -4.703 -1.384) 4.928 2.265 ( -8.806 -0.480 2.124) 9.071 2.275 ( -7.871 -4.002 -2.354) 9.138 2.434 ( 0.808 -2.214 0.733) 2.469 2.606 ( 6.681 -8.800 0.435) 11.057 2.628 ( -2.991 7.164 6.599) 10.189 2.710 ( -4.982 0.577 4.027) 6.432 2.757 ( -0.381 -0.894 7.892) 7.952 2.838 ( 1.825 -1.130 -1.467) 2.600 2.991 ( 3.421 3.098 -4.946) 6.765 3.042 ( 4.897 -2.440 -5.808) 7.980 3.170 ( -2.828 6.216 1.268) 6.946 3.223 ( -3.344 3.280 -5.496) 7.222 3.332 ( -2.089 -1.365 -0.641) 2.577 3.335 ( -1.087 0.327 -4.371) 4.516 3.418 ( 1.804 0.922 6.960) 7.249 3.543 ( 2.745 -4.586 5.179) 7.443 3.659 ( -0.475 4.188 -1.475) 4.466 3.689 ( 1.337 1.739 -0.156) 2.199 3.798 ( 3.069 -0.387 5.190) 6.042 3.801 ( 2.193 -1.876 1.719) 3.359 3.854 ( -0.927 3.730 -1.105) 3.999 3.909 ( 0.166 -2.631 0.972) 2.810 4.017 ( 8.304 3.216 -3.528) 9.579 4.086 ( 7.432 0.836 -1.727) 7.676 4.163 ( 7.841 5.185 -3.804) 10.140 4.290 ( 10.200 -2.912 2.686) 10.942 4.336 ( -0.541 2.017 -5.047) 5.462 4.373 ( 0.749 -0.755 -3.008) 3.191 4.487 ( 0.755 4.119 2.685) 4.975 4.553 ( 2.432 1.550 1.300) 3.164 4.611 ( -1.493 0.356 1.689) 2.282 4.708 ( 0.277 -5.448 0.990) 5.544 4.756 ( -0.324 -3.865 1.345) 4.105 4.785 ( 2.399 -3.347 -1.095) 4.261 4.925 ( -8.521 6.531 -3.979) 11.450 4.945 ( 0.953 1.383 -0.472) 1.745 4.978 ( -2.777 5.317 -0.950) 6.073 5.009 ( -2.410 -3.337 -2.415) 4.772 5.105 ( -9.128 -5.158 -2.872) 10.871 5.142 ( -1.732 -2.247 -0.084) 2.838 5.231 ( 3.682 5.982 6.189) 9.362 5.301 ( 1.943 2.578 0.165) 3.233 5.479 ( -1.726 -0.612 0.099) 1.834 5.511 ( -2.510 -6.910 -4.552) 8.647 5.572 ( 3.251 -0.330 2.160) 3.917 5.645 ( 4.783 -4.797 3.219) 7.500 6.030 ( -0.253 -3.107 -1.699) 3.551 6.036 ( -0.371 -3.811 -2.319) 4.476 6.330 ( -3.471 4.185 7.017) 8.877 6.391 ( -2.378 -2.626 6.310) 7.237 6.480 ( -1.555 1.633 3.058) 3.799 6.555 ( -4.077 -5.176 5.974) 8.894 6.653 ( 5.764 5.524 -9.352) 12.297 6.735 ( 4.081 -1.675 -5.447) 7.009 6.773 ( -2.454 2.436 -2.569) 4.307 6.835 ( -3.406 -3.794 -6.878) 8.562 6.968 ( -0.805 -1.231 -2.754) 3.122 6.999 ( 1.977 -4.339 -4.548) 6.590 7.217 ( -1.369 2.881 7.455) 8.108 7.279 ( -3.134 -3.224 7.108) 8.410 7.492 ( 4.262 4.960 -4.987) 8.224 7.563 ( 4.980 -2.251 -6.500) 8.492 7.887 ( -1.321 5.538 2.267) 6.128 7.898 ( -1.367 4.928 2.451) 5.671 7.940 ( -3.080 4.029 2.317) 5.575 8.015 ( -1.061 -4.557 1.853) 5.032 8.041 ( -3.699 0.891 0.846) 3.898 8.137 ( -7.970 -5.404 1.832) 9.802 8.245 ( 3.610 4.911 0.494) 6.115 8.312 ( 2.553 -1.868 2.684) 4.149 8.457 ( 1.908 2.271 -0.782) 3.068 8.506 ( 2.574 -2.008 0.101) 3.266 8.592 ( 1.967 1.575 -1.748) 3.067 8.628 ( 3.570 -1.581 -3.514) 5.253 12.381 ( -0.856 6.962 0.095) 7.015 12.419 ( 0.931 4.772 -0.762) 4.922 12.533 ( -0.280 -4.871 1.035) 4.988 12.542 ( 0.329 -6.671 -0.801) 6.727 13.905 ( -0.657 0.764 0.039) 1.008 13.919 ( -0.033 -0.637 -0.159) 0.658 14.063 ( -1.294 2.230 0.094) 2.580 14.101 ( 0.724 -1.502 0.579) 1.765 14.216 ( -1.749 3.012 -1.118) 3.658 14.254 ( -0.468 -0.363 -0.981) 1.146 14.311 ( -1.865 2.490 0.643) 3.177 14.347 ( -0.441 -0.689 0.554) 0.988 14.440 ( -3.316 4.310 -1.773) 5.719 14.516 ( -4.776 -3.430 -2.667) 6.456 14.635 ( 2.749 2.077 1.772) 3.875 14.672 ( 1.572 -1.195 1.728) 2.624 14.836 ( -1.466 0.075 2.298) 2.727 14.864 ( -1.992 -2.565 1.792) 3.709 14.983 ( 4.531 0.126 -2.136) 5.011 15.010 ( 4.045 -2.286 -2.338) 5.201 17.614 ( -17.587 1.630 10.665) 20.633 17.712 ( -16.507 -8.388 11.165) 21.622 18.226 ( 5.364 4.531 -5.561) 8.957 18.287 ( 4.826 -1.121 -2.499) 5.549 18.302 ( 4.155 4.025 -3.034) 6.532 18.334 ( 8.240 0.585 -2.111) 8.526 18.405 ( 1.203 -5.246 1.325) 5.543 18.446 ( 5.807 -6.910 -7.274) 11.593 ======================= Grid point 143 (77/80) ======================= q-point: ( 0.33 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -14.954 19.729 12.579) 27.768 1.714 ( 0.656 8.964 4.661) 10.124 1.862 ( -1.273 -0.258 -4.100) 4.301 1.912 ( -8.243 -12.645 7.672) 16.932 2.064 ( -7.123 -1.689 6.709) 9.930 2.177 ( -4.386 -6.812 1.786) 8.296 2.216 ( 1.634 5.347 -3.317) 6.501 2.312 ( 2.843 0.646 1.703) 3.376 2.412 ( -2.242 5.747 -3.436) 7.061 2.501 ( -11.269 -2.684 2.087) 11.770 2.628 ( 1.027 2.873 2.848) 4.173 2.711 ( 0.495 -0.442 -2.975) 3.048 2.850 ( 6.484 -4.494 -1.187) 7.978 2.865 ( 0.231 -3.913 -0.824) 4.005 2.976 ( -1.046 7.461 0.968) 7.596 3.050 ( 0.065 1.907 -4.590) 4.971 3.105 ( -4.379 -1.940 -0.561) 4.822 3.130 ( -0.997 -4.894 -3.922) 6.351 3.286 ( -2.385 3.888 -2.765) 5.334 3.335 ( 0.942 3.491 -1.662) 3.980 3.416 ( -2.920 5.488 -1.122) 6.317 3.559 ( -0.891 -4.990 -0.049) 5.069 3.689 ( -2.726 2.449 3.384) 4.987 3.710 ( 2.284 0.201 -0.131) 2.296 3.823 ( -0.440 8.126 4.013) 9.073 3.902 ( 1.786 1.031 2.772) 3.455 3.945 ( 6.182 0.011 1.212) 6.299 3.962 ( 3.831 -2.351 8.642) 9.741 4.151 ( 8.374 0.926 -6.468) 10.621 4.192 ( 6.617 1.032 -0.054) 6.698 4.230 ( -1.218 3.495 -9.503) 10.199 4.299 ( 1.702 0.901 -4.584) 4.972 4.332 ( 5.934 6.151 -3.196) 9.125 4.453 ( 1.548 -1.920 -5.919) 6.412 4.495 ( -6.030 3.139 -3.934) 7.854 4.519 ( 0.299 1.477 1.503) 2.128 4.652 ( -0.703 -4.190 -1.128) 4.396 4.676 ( 5.050 -3.473 1.760) 6.376 4.775 ( 0.516 2.069 5.012) 5.447 4.792 ( -2.803 3.263 -1.630) 4.600 4.851 ( 0.404 -1.663 1.797) 2.481 4.884 ( -4.736 -3.987 2.536) 6.690 4.947 ( 0.434 -2.157 5.540) 5.961 4.970 ( -1.702 -4.053 1.607) 4.681 5.077 ( 3.858 -0.023 -0.728) 3.926 5.110 ( 0.741 -1.304 -2.024) 2.519 5.284 ( -4.043 6.226 -0.700) 7.456 5.368 ( 2.634 3.803 1.576) 4.887 5.418 ( -2.812 -3.517 0.659) 4.551 5.472 ( 1.241 -7.061 1.494) 7.323 5.650 ( 4.129 4.277 0.910) 6.014 5.731 ( 2.657 -3.737 2.354) 5.155 6.028 ( 1.027 -2.400 0.115) 2.613 6.040 ( 2.471 -3.315 -0.375) 4.151 6.324 ( -4.941 2.798 3.335) 6.585 6.365 ( -6.496 -1.405 1.586) 6.833 6.472 ( -2.609 1.059 2.959) 4.084 6.536 ( -1.608 -3.300 1.865) 4.118 6.570 ( -4.050 0.514 -2.723) 4.907 6.627 ( -5.708 -2.721 -8.586) 10.663 6.782 ( 3.678 0.805 1.070) 3.914 6.801 ( 3.356 1.433 -1.771) 4.056 6.932 ( 1.757 2.530 -5.215) 6.057 7.024 ( 4.114 -5.794 -5.255) 8.838 7.270 ( 0.655 -0.573 4.532) 4.615 7.298 ( -1.326 -3.116 4.947) 5.995 7.497 ( 1.185 3.384 -3.959) 5.341 7.560 ( 2.408 -2.791 -6.849) 7.777 7.819 ( -5.096 8.660 1.476) 10.156 7.902 ( -2.181 3.639 -0.392) 4.261 7.937 ( -0.495 -1.128 0.484) 1.324 7.985 ( -2.490 -2.987 0.858) 3.982 8.055 ( -3.156 -1.114 6.451) 7.268 8.064 ( 0.407 -1.189 6.283) 6.407 8.280 ( 0.977 4.029 -1.769) 4.507 8.344 ( 0.402 -2.567 -1.975) 3.263 8.506 ( 1.565 2.720 2.226) 3.847 8.530 ( 1.424 0.546 -1.332) 2.025 8.632 ( 2.545 0.916 0.044) 2.705 8.657 ( 3.635 -1.110 -3.898) 5.444 12.373 ( -0.218 7.335 0.419) 7.350 12.420 ( 0.191 4.794 -1.244) 4.956 12.536 ( -0.465 -5.240 0.909) 5.338 12.543 ( 0.602 -6.730 -0.708) 6.794 13.901 ( 0.093 1.146 0.664) 1.328 13.925 ( 0.346 -1.160 0.830) 1.467 14.029 ( -1.677 3.108 -0.613) 3.584 14.088 ( -1.784 -2.653 -1.714) 3.627 14.203 ( 1.561 3.686 0.796) 4.081 14.246 ( 0.736 0.076 0.458) 0.871 14.302 ( -0.600 2.246 1.545) 2.791 14.330 ( -1.782 -0.418 1.675) 2.481 14.421 ( 0.606 0.559 1.163) 1.426 14.439 ( -1.265 -1.225 0.031) 1.761 14.687 ( 1.326 2.353 0.197) 2.709 14.697 ( 0.803 1.210 -0.810) 1.663 14.812 ( -3.501 -0.718 -2.243) 4.219 14.836 ( -3.969 -3.002 0.744) 5.032 14.969 ( -0.790 1.051 -4.521) 4.708 15.033 ( 1.785 -4.629 -3.878) 6.298 17.527 ( -7.242 1.843 19.416) 20.804 17.630 ( -7.719 -8.752 18.758) 22.091 18.200 ( 0.990 3.393 -9.253) 9.905 18.276 ( -0.277 -4.044 -8.725) 9.621 18.319 ( 1.565 3.539 0.399) 3.890 18.404 ( 0.074 -4.516 1.459) 4.747 18.454 ( 5.017 1.533 -8.062) 9.619 18.509 ( 6.826 -3.376 -6.829) 10.229 ======================= Grid point 144 (78/80) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -2.764 13.894 16.297) 21.594 1.769 ( 1.178 2.930 -4.855) 5.792 1.815 ( -2.962 -3.187 4.265) 6.093 1.989 ( 4.902 -5.905 -1.210) 7.769 2.078 ( 2.602 0.137 8.724) 9.105 2.149 ( -0.504 -6.393 -0.205) 6.416 2.249 ( 2.456 6.995 5.732) 9.371 2.348 ( -0.846 5.416 1.819) 5.776 2.371 ( -2.388 1.034 -1.573) 3.040 2.405 ( 2.999 -4.211 4.613) 6.929 2.615 ( -3.638 3.522 -5.592) 7.544 2.676 ( 0.044 -0.910 -6.141) 6.208 2.798 ( -2.849 1.317 0.631) 3.202 2.896 ( 2.784 -4.538 -8.780) 10.268 2.972 ( -2.243 3.230 3.958) 5.579 3.017 ( -1.983 1.117 -0.870) 2.437 3.031 ( -0.254 0.693 -1.824) 1.968 3.066 ( 0.857 -0.434 -2.677) 2.844 3.285 ( -2.795 0.965 -1.788) 3.456 3.290 ( 5.249 -0.367 -0.996) 5.355 3.443 ( 1.582 7.914 7.592) 11.081 3.586 ( -2.737 -1.061 3.972) 4.939 3.593 ( -2.550 -1.481 -1.417) 3.271 3.678 ( -5.260 -4.810 -1.005) 7.198 3.897 ( 2.879 7.181 3.546) 8.511 3.918 ( -0.903 4.421 0.145) 4.515 4.056 ( -1.351 3.168 3.471) 4.890 4.062 ( 1.925 0.840 0.414) 2.141 4.112 ( 1.351 0.862 -6.769) 6.957 4.140 ( 2.302 -1.918 -7.863) 8.415 4.264 ( -2.294 1.307 -1.785) 3.186 4.281 ( 0.536 1.261 -0.171) 1.381 4.374 ( -1.718 1.812 0.195) 2.505 4.402 ( 2.685 5.276 -3.818) 7.044 4.440 ( -0.146 -3.775 0.272) 3.788 4.501 ( 1.758 -3.877 -5.556) 6.999 4.634 ( -1.305 5.934 3.792) 7.163 4.704 ( -0.960 5.118 -2.756) 5.892 4.791 ( -3.497 -7.346 1.875) 8.349 4.822 ( 3.960 -5.618 -0.098) 6.875 4.907 ( -6.328 1.029 1.305) 6.543 4.920 ( 6.820 3.634 2.314) 8.066 4.939 ( 1.123 -0.483 1.977) 2.324 4.983 ( -0.485 -1.597 -0.694) 1.807 5.116 ( 2.015 -0.723 8.580) 8.843 5.158 ( 1.322 -2.476 3.681) 4.629 5.222 ( -0.007 4.092 -3.267) 5.236 5.326 ( 0.142 -5.516 -7.032) 8.939 5.468 ( -2.320 0.065 -0.145) 2.326 5.473 ( 2.736 -0.517 0.195) 2.791 5.756 ( 2.424 0.585 3.113) 3.989 5.788 ( 0.606 -2.273 0.141) 2.357 6.077 ( 2.459 0.469 4.357) 5.025 6.113 ( 4.037 -2.813 4.001) 6.341 6.175 ( -6.056 1.049 -4.700) 7.738 6.212 ( -7.332 -3.034 -4.825) 9.287 6.449 ( -1.323 2.199 3.275) 4.161 6.521 ( -3.338 -5.054 3.343) 6.917 6.533 ( 3.260 2.052 -4.242) 5.730 6.581 ( 4.844 -2.712 -2.004) 5.902 6.817 ( -1.180 3.198 0.960) 3.542 6.848 ( 1.516 1.166 1.421) 2.383 6.925 ( 0.256 3.023 -1.875) 3.567 7.008 ( 0.402 -3.928 -6.775) 7.842 7.316 ( -1.890 -3.030 3.406) 4.935 7.321 ( 0.238 -3.729 3.039) 4.816 7.477 ( -0.274 0.972 -1.551) 1.851 7.526 ( 0.696 -3.716 -5.715) 6.853 7.789 ( 0.228 5.146 2.620) 5.779 7.832 ( -0.789 1.159 -1.899) 2.360 7.948 ( -0.945 0.078 0.610) 1.127 7.954 ( 0.588 -0.849 -0.225) 1.057 8.095 ( -1.117 3.734 7.014) 8.024 8.144 ( 0.550 -0.638 6.573) 6.627 8.256 ( 0.089 2.769 -3.603) 4.545 8.307 ( -0.600 -1.849 -4.707) 5.093 8.525 ( -1.208 1.742 2.251) 3.092 8.542 ( -0.799 0.053 0.779) 1.117 8.660 ( 0.707 1.480 -1.122) 1.988 8.681 ( 2.229 -0.479 -3.105) 3.852 12.382 ( 0.377 6.930 0.933) 7.002 12.405 ( -0.278 5.421 -1.497) 5.630 12.533 ( -0.885 -5.201 0.958) 5.362 12.549 ( 0.748 -7.096 -0.710) 7.170 13.923 ( 0.857 1.315 1.285) 2.029 13.936 ( -0.109 0.352 0.102) 0.382 14.014 ( 0.622 -0.360 0.126) 0.730 14.033 ( -1.580 -1.882 -1.771) 3.029 14.243 ( -0.654 3.068 1.600) 3.521 14.265 ( 0.432 1.456 -0.190) 1.531 14.323 ( 1.199 1.556 1.940) 2.761 14.337 ( 0.935 0.494 0.395) 1.129 14.462 ( 2.877 1.881 4.268) 5.480 14.497 ( 3.197 -1.575 2.737) 4.494 14.624 ( -4.363 1.285 -4.812) 6.621 14.655 ( -5.202 -1.432 -5.839) 7.950 14.719 ( 1.013 1.417 1.197) 2.114 14.761 ( -0.915 -0.465 -1.435) 1.764 14.949 ( -0.062 -0.189 0.750) 0.776 15.020 ( 1.653 -5.562 -5.183) 7.780 17.690 ( 0.200 0.373 23.569) 23.573 17.763 ( -1.227 -7.152 22.442) 23.586 18.086 ( 0.220 2.174 -16.569) 16.712 18.146 ( 0.066 -4.065 -16.294) 16.794 18.354 ( 1.006 2.578 1.548) 3.171 18.399 ( -1.207 1.799 -2.050) 2.982 18.436 ( -0.885 -0.655 0.046) 1.102 18.518 ( 1.875 -5.178 -6.919) 8.843 ======================= Grid point 145 (79/80) ======================= q-point: (-0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 3.362 7.660 13.100) 15.543 1.724 ( 5.722 18.230 -11.437) 22.269 1.816 ( -2.594 -4.009 2.993) 5.636 2.024 ( 4.059 -10.708 -2.119) 11.646 2.110 ( -0.276 2.232 -3.784) 4.402 2.184 ( -5.659 8.589 -3.928) 11.010 2.242 ( 5.456 -4.579 2.389) 7.513 2.315 ( 0.425 5.232 -0.173) 5.252 2.431 ( 1.630 0.060 -3.907) 4.234 2.516 ( 8.984 0.728 1.793) 9.190 2.611 ( -0.767 -2.823 6.930) 7.522 2.661 ( 2.539 -6.358 3.036) 7.489 2.826 ( 2.854 -0.569 -2.424) 3.787 2.834 ( -0.470 -1.954 -4.383) 4.822 3.002 ( -1.547 0.762 7.899) 8.085 3.019 ( 1.047 -0.672 0.122) 1.250 3.065 ( 5.196 4.107 3.747) 7.609 3.086 ( 2.982 3.734 -5.514) 7.297 3.233 ( 0.709 5.145 -0.048) 5.193 3.353 ( 1.910 -5.575 -3.326) 6.767 3.445 ( -3.025 4.732 -2.843) 6.294 3.545 ( -4.032 -3.723 0.972) 5.574 3.597 ( 2.203 2.200 8.828) 9.361 3.682 ( -1.445 -3.870 9.313) 10.188 3.883 ( -2.838 6.353 0.451) 6.972 3.936 ( -0.571 2.589 -2.644) 3.744 4.012 ( -4.350 3.626 -2.949) 6.385 4.044 ( -2.818 -0.404 -4.401) 5.241 4.094 ( 1.068 2.709 1.296) 3.187 4.115 ( -1.355 0.985 -3.642) 4.009 4.229 ( -4.500 4.337 1.846) 6.517 4.272 ( -0.198 -0.399 0.475) 0.651 4.309 ( -6.296 -0.436 -5.042) 8.078 4.351 ( -2.178 -2.649 3.753) 5.084 4.452 ( 6.331 3.144 0.114) 7.070 4.524 ( 2.864 -4.053 0.067) 4.963 4.656 ( -2.320 1.977 -1.598) 3.442 4.702 ( -1.009 0.789 0.453) 1.359 4.719 ( -1.529 0.530 3.729) 4.065 4.808 ( -2.437 0.891 3.333) 4.224 4.867 ( 0.956 1.018 -3.119) 3.417 4.933 ( 1.772 -4.166 -0.499) 4.554 4.990 ( 0.361 0.999 -0.851) 1.361 5.045 ( 2.166 -2.221 1.155) 3.310 5.137 ( -3.884 1.263 -7.335) 8.395 5.184 ( -0.230 -2.591 -7.590) 8.023 5.238 ( 2.124 2.108 -1.747) 3.465 5.336 ( 8.647 -4.537 7.331) 12.210 5.403 ( -4.447 3.963 -1.023) 6.044 5.504 ( 0.996 -4.575 -0.715) 4.736 5.693 ( -5.931 2.400 -2.748) 6.964 5.777 ( -1.379 -4.149 -1.141) 4.519 6.038 ( -3.146 -1.567 -1.388) 3.779 6.054 ( -4.311 -2.616 -1.853) 5.372 6.257 ( 6.937 2.774 6.918) 10.182 6.310 ( 7.957 -2.978 8.074) 11.720 6.485 ( 1.112 0.241 2.076) 2.367 6.508 ( 0.719 -1.317 0.665) 1.642 6.584 ( 6.570 4.021 -5.055) 9.213 6.675 ( 7.495 -3.784 -4.536) 9.543 6.780 ( -3.443 4.339 0.306) 5.548 6.830 ( -2.712 0.305 -3.388) 4.350 6.889 ( -3.802 -1.565 0.420) 4.133 6.928 ( -3.680 -4.590 0.710) 5.925 7.301 ( -1.948 -0.119 2.800) 3.413 7.336 ( -0.564 -3.337 1.644) 3.762 7.457 ( -1.950 -0.478 1.628) 2.585 7.482 ( -0.470 -2.801 -3.479) 4.491 7.838 ( 3.818 5.552 -0.154) 6.740 7.885 ( 4.237 4.213 0.907) 6.044 7.937 ( 0.417 -0.722 0.033) 0.835 7.989 ( 2.138 -2.764 0.463) 3.524 8.126 ( -2.295 5.383 4.954) 7.667 8.167 ( 0.344 1.508 -3.210) 3.563 8.254 ( -0.152 -0.604 -3.185) 3.246 8.261 ( 0.228 -1.869 4.048) 4.464 8.501 ( -2.992 1.434 1.412) 3.606 8.524 ( -2.779 -0.581 2.201) 3.592 8.631 ( -1.694 2.322 -2.374) 3.728 8.670 ( 0.016 -1.541 -3.218) 3.568 12.388 ( 0.052 6.069 -1.205) 6.188 12.398 ( 0.219 6.042 1.023) 6.132 12.525 ( -0.927 -5.290 0.999) 5.463 12.552 ( 0.342 -6.762 -0.681) 6.805 13.918 ( -0.545 1.322 -0.954) 1.719 13.941 ( -0.084 -0.867 -0.565) 1.039 14.015 ( 0.909 1.351 0.500) 1.704 14.052 ( 1.952 -2.131 1.678) 3.342 14.217 ( -2.496 3.282 -0.100) 4.125 14.249 ( -1.716 0.745 0.047) 1.871 14.333 ( 0.122 2.307 -1.525) 2.769 14.358 ( 1.275 0.057 -1.038) 1.645 14.452 ( -2.872 0.007 -1.986) 3.492 14.460 ( -1.049 -0.073 -2.911) 3.095 14.664 ( 2.779 0.527 1.635) 3.267 14.678 ( 2.332 -1.486 4.125) 4.966 14.764 ( 5.104 3.444 1.411) 6.317 14.803 ( 5.495 -0.022 1.857) 5.801 14.961 ( -0.197 -2.757 2.616) 3.806 14.991 ( 0.760 -4.414 -4.901) 6.639 17.891 ( 0.670 1.217 -3.941) 4.179 17.930 ( 2.140 0.119 4.148) 4.669 17.960 ( -0.706 -3.782 8.243) 9.097 18.011 ( 2.803 -4.864 -6.816) 8.830 18.340 ( -2.175 5.299 -1.822) 6.011 18.368 ( -1.727 1.357 1.527) 2.675 18.416 ( -3.949 -2.674 3.141) 5.710 18.474 ( 0.054 -6.654 -4.388) 7.971 ======================= Grid point 146 (80/80) ======================= q-point: (-0.17 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 4.964 13.096 2.704) 14.264 1.861 ( 4.668 0.837 6.931) 8.398 1.866 ( 13.016 16.454 -3.430) 21.258 2.041 ( -2.618 7.549 -0.781) 8.028 2.104 ( 0.465 4.236 2.366) 4.874 2.195 ( 4.806 -0.839 6.581) 8.192 2.256 ( -2.243 -1.301 -1.701) 3.101 2.365 ( 5.546 -2.373 -5.696) 8.297 2.434 ( 3.245 -8.801 -2.905) 9.820 2.581 ( -7.294 -12.478 5.296) 15.393 2.713 ( 2.573 2.409 2.439) 4.286 2.733 ( 3.863 4.416 2.064) 6.220 2.801 ( 0.747 0.987 -0.383) 1.296 2.884 ( 8.835 -6.006 -7.099) 12.827 2.943 ( -3.768 5.982 -3.736) 7.996 3.038 ( -1.792 -4.758 0.300) 5.093 3.132 ( 3.751 4.574 0.328) 5.925 3.194 ( 3.917 0.875 -0.945) 4.123 3.258 ( -0.088 5.913 2.934) 6.602 3.320 ( -0.032 1.510 0.146) 1.517 3.474 ( 1.787 0.638 2.850) 3.424 3.545 ( 1.735 -5.658 4.466) 7.414 3.681 ( -1.715 1.812 2.606) 3.608 3.700 ( -2.515 0.537 1.566) 3.011 3.794 ( -9.497 1.923 -4.145) 10.539 3.818 ( -5.658 -1.478 -2.537) 6.374 3.868 ( -4.695 2.861 -0.338) 5.508 3.942 ( -0.984 -2.752 -0.976) 3.081 4.004 ( -3.263 4.395 -2.892) 6.191 4.087 ( -3.061 0.406 1.129) 3.287 4.115 ( -7.656 5.464 -1.189) 9.481 4.278 ( 4.057 3.949 0.256) 5.667 4.284 ( -7.614 -6.786 2.349) 10.467 4.337 ( 3.342 -1.533 0.544) 3.717 4.534 ( 0.193 6.505 -1.886) 6.775 4.599 ( 0.789 2.136 -2.261) 3.209 4.651 ( 2.039 -3.735 -0.866) 4.343 4.672 ( 2.962 -3.593 3.254) 5.681 4.781 ( -0.089 1.281 2.457) 2.772 4.826 ( -1.589 1.280 2.422) 3.167 4.848 ( 0.863 3.802 -1.847) 4.314 4.946 ( -1.540 -5.502 1.051) 5.809 4.969 ( -0.677 0.186 -2.616) 2.708 5.001 ( 0.743 1.558 -6.916) 7.128 5.076 ( 4.550 -4.316 -0.410) 6.285 5.111 ( 3.448 -3.141 2.356) 5.225 5.302 ( -3.754 5.784 -2.163) 7.227 5.325 ( 0.798 8.436 0.412) 8.484 5.471 ( -0.685 -8.437 -2.738) 8.897 5.515 ( 4.011 -5.988 -0.368) 7.216 5.600 ( -2.165 5.021 -1.032) 5.564 5.725 ( -1.368 -5.288 -4.152) 6.861 6.002 ( -0.339 -3.815 0.824) 3.917 6.005 ( -0.445 -3.646 0.812) 3.762 6.406 ( 1.171 2.632 3.603) 4.613 6.445 ( -0.099 -1.956 0.950) 2.177 6.500 ( -0.818 4.426 1.637) 4.789 6.563 ( 2.640 1.970 -0.255) 3.304 6.649 ( 1.305 -0.834 -3.585) 3.905 6.699 ( 0.201 -0.432 -2.643) 2.685 6.733 ( 2.895 0.075 2.740) 3.987 6.775 ( 2.222 -4.297 -5.260) 7.146 6.882 ( 2.394 -1.527 5.026) 5.773 6.919 ( -0.124 -4.151 3.523) 5.446 7.299 ( -1.569 2.152 1.678) 3.148 7.330 ( -2.898 -0.633 1.966) 3.559 7.445 ( -1.352 -0.793 2.340) 2.816 7.454 ( 1.132 -1.424 -1.535) 2.381 7.901 ( -1.165 5.625 -0.508) 5.767 7.915 ( 2.916 3.727 0.495) 4.758 7.976 ( 3.040 2.252 -1.000) 3.913 8.030 ( 1.442 -2.929 0.642) 3.327 8.091 ( -2.681 4.299 -1.200) 5.206 8.167 ( 2.381 -1.241 -1.213) 2.946 8.230 ( -2.308 2.886 1.040) 3.839 8.309 ( 0.946 -3.533 2.530) 4.447 8.458 ( -2.926 0.545 -0.384) 3.001 8.477 ( -3.525 -0.833 2.079) 4.177 8.583 ( -0.884 2.125 -0.902) 2.472 8.630 ( -0.397 -2.356 -3.354) 4.118 12.387 ( 0.812 6.048 -0.573) 6.129 12.405 ( -0.375 5.571 0.659) 5.622 12.522 ( -0.538 -5.141 1.189) 5.304 12.549 ( 0.054 -6.324 -0.591) 6.352 13.909 ( 0.379 0.837 -0.445) 1.021 13.926 ( -0.309 -0.845 -0.780) 1.191 14.057 ( 1.761 2.159 0.985) 2.955 14.095 ( 0.351 -1.659 1.234) 2.097 14.191 ( 0.387 3.001 0.918) 3.162 14.223 ( -0.938 0.289 1.394) 1.705 14.324 ( 0.319 1.964 -0.501) 2.052 14.359 ( -0.307 -1.089 -0.592) 1.277 14.428 ( 1.802 2.971 -0.303) 3.488 14.483 ( 3.065 -2.000 1.429) 3.929 14.664 ( -1.694 2.504 -1.392) 3.329 14.700 ( 1.018 -1.526 -1.690) 2.494 14.861 ( 2.690 1.824 -1.001) 3.401 14.907 ( 2.629 -1.561 0.225) 3.065 14.962 ( -0.349 -1.951 -2.323) 3.053 14.981 ( -1.600 -3.326 1.322) 3.921 17.848 ( 10.675 4.445 -13.363) 17.671 17.941 ( 9.118 -5.594 -11.599) 15.778 18.037 ( -6.084 0.858 12.839) 14.234 18.097 ( -7.039 -5.345 13.509) 16.144 18.294 ( -1.808 4.689 -0.395) 5.041 18.321 ( -3.049 2.152 -0.126) 3.734 18.362 ( -3.098 -3.552 2.434) 5.304 18.445 ( 0.541 -7.808 -2.745) 8.294 =================== 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 3/29160 10.0 355.478 318.653 354.528 0.000 41.262 0.000 3/29160 20.0 71.147 82.711 89.788 0.000 -2.142 0.000 3/29160 30.0 27.035 32.655 33.834 0.000 -0.591 0.000 3/29160 40.0 14.273 17.453 17.703 0.000 -0.180 0.000 3/29160 50.0 9.148 11.236 11.282 0.000 -0.052 0.000 3/29160 60.0 6.591 8.104 8.096 0.000 -0.001 0.000 3/29160 70.0 5.116 6.289 6.265 0.000 0.022 0.000 3/29160 80.0 4.174 5.127 5.100 0.000 0.032 0.000 3/29160 90.0 3.527 4.328 4.301 0.000 0.037 0.000 3/29160 100.0 3.057 3.749 3.722 0.000 0.039 0.000 3/29160 110.0 2.701 3.310 3.283 0.000 0.040 0.000 3/29160 120.0 2.421 2.966 2.941 0.000 0.040 0.000 3/29160 130.0 2.197 2.690 2.665 0.000 0.039 0.000 3/29160 140.0 2.012 2.464 2.439 0.000 0.038 0.000 3/29160 150.0 1.857 2.274 2.249 0.000 0.037 0.000 3/29160 160.0 1.725 2.113 2.088 0.000 0.036 0.000 3/29160 170.0 1.612 1.974 1.950 0.000 0.035 0.000 3/29160 180.0 1.513 1.853 1.829 0.000 0.034 0.000 3/29160 190.0 1.427 1.747 1.723 0.000 0.033 0.000 3/29160 200.0 1.350 1.653 1.630 0.000 0.032 0.000 3/29160 210.0 1.281 1.569 1.546 0.000 0.031 0.000 3/29160 220.0 1.219 1.493 1.471 0.000 0.030 0.000 3/29160 230.0 1.163 1.425 1.403 0.000 0.029 0.000 3/29160 240.0 1.112 1.363 1.341 0.000 0.029 0.000 3/29160 250.0 1.066 1.306 1.285 0.000 0.028 0.000 3/29160 260.0 1.023 1.254 1.233 0.000 0.027 0.000 3/29160 270.0 0.984 1.206 1.185 0.000 0.026 0.000 3/29160 280.0 0.948 1.162 1.141 0.000 0.026 0.000 3/29160 290.0 0.914 1.121 1.101 0.000 0.025 0.000 3/29160 300.0 0.883 1.083 1.063 0.000 0.024 0.000 3/29160 310.0 0.854 1.047 1.027 0.000 0.024 0.000 3/29160 320.0 0.826 1.014 0.995 0.000 0.023 0.000 3/29160 330.0 0.801 0.982 0.964 0.000 0.023 0.000 3/29160 340.0 0.777 0.953 0.935 0.000 0.022 0.000 3/29160 350.0 0.754 0.926 0.907 0.000 0.022 0.000 3/29160 360.0 0.733 0.900 0.882 0.000 0.021 0.000 3/29160 370.0 0.713 0.875 0.857 0.000 0.021 0.000 3/29160 380.0 0.694 0.852 0.835 0.000 0.020 0.000 3/29160 390.0 0.676 0.830 0.813 0.000 0.020 0.000 3/29160 400.0 0.659 0.809 0.792 0.000 0.019 0.000 3/29160 410.0 0.643 0.789 0.773 0.000 0.019 0.000 3/29160 420.0 0.627 0.770 0.754 0.000 0.018 0.000 3/29160 430.0 0.612 0.752 0.736 0.000 0.018 0.000 3/29160 440.0 0.598 0.735 0.719 0.000 0.018 0.000 3/29160 450.0 0.585 0.718 0.703 0.000 0.017 0.000 3/29160 460.0 0.572 0.703 0.688 0.000 0.017 0.000 3/29160 470.0 0.560 0.688 0.673 0.000 0.017 0.000 3/29160 480.0 0.548 0.673 0.659 0.000 0.016 0.000 3/29160 490.0 0.537 0.660 0.645 0.000 0.016 0.000 3/29160 500.0 0.526 0.646 0.632 0.000 0.016 0.000 3/29160 510.0 0.516 0.634 0.620 0.000 0.016 0.000 3/29160 520.0 0.506 0.621 0.608 0.000 0.015 0.000 3/29160 530.0 0.496 0.610 0.596 0.000 0.015 0.000 3/29160 540.0 0.487 0.598 0.585 0.000 0.015 0.000 3/29160 550.0 0.478 0.587 0.574 0.000 0.015 0.000 3/29160 560.0 0.470 0.577 0.564 0.000 0.014 0.000 3/29160 570.0 0.461 0.567 0.554 0.000 0.014 0.000 3/29160 580.0 0.453 0.557 0.545 0.000 0.014 0.000 3/29160 590.0 0.446 0.548 0.535 0.000 0.014 0.000 3/29160 600.0 0.438 0.538 0.526 0.000 0.013 0.000 3/29160 610.0 0.431 0.530 0.518 0.000 0.013 0.000 3/29160 620.0 0.424 0.521 0.509 0.000 0.013 0.000 3/29160 630.0 0.417 0.513 0.501 0.000 0.013 0.000 3/29160 640.0 0.411 0.505 0.493 0.000 0.013 0.000 3/29160 650.0 0.404 0.497 0.486 0.000 0.012 0.000 3/29160 660.0 0.398 0.489 0.478 0.000 0.012 0.000 3/29160 670.0 0.392 0.482 0.471 0.000 0.012 0.000 3/29160 680.0 0.387 0.475 0.464 0.000 0.012 0.000 3/29160 690.0 0.381 0.468 0.457 0.000 0.012 0.000 3/29160 700.0 0.375 0.461 0.451 0.000 0.012 0.000 3/29160 710.0 0.370 0.455 0.445 0.000 0.011 0.000 3/29160 720.0 0.365 0.449 0.438 0.000 0.011 0.000 3/29160 730.0 0.360 0.442 0.432 0.000 0.011 0.000 3/29160 740.0 0.355 0.437 0.426 0.000 0.011 0.000 3/29160 750.0 0.350 0.431 0.421 0.000 0.011 0.000 3/29160 760.0 0.346 0.425 0.415 0.000 0.011 0.000 3/29160 770.0 0.341 0.420 0.410 0.000 0.011 0.000 3/29160 780.0 0.337 0.414 0.405 0.000 0.010 0.000 3/29160 790.0 0.333 0.409 0.399 0.000 0.010 0.000 3/29160 800.0 0.328 0.404 0.394 0.000 0.010 0.000 3/29160 810.0 0.324 0.399 0.390 0.000 0.010 0.000 3/29160 820.0 0.320 0.394 0.385 0.000 0.010 0.000 3/29160 830.0 0.317 0.389 0.380 0.000 0.010 0.000 3/29160 840.0 0.313 0.385 0.376 0.000 0.010 0.000 3/29160 850.0 0.309 0.380 0.371 0.000 0.010 0.000 3/29160 860.0 0.306 0.376 0.367 0.000 0.010 0.000 3/29160 870.0 0.302 0.371 0.363 0.000 0.009 0.000 3/29160 880.0 0.299 0.367 0.358 0.000 0.009 0.000 3/29160 890.0 0.295 0.363 0.354 0.000 0.009 0.000 3/29160 900.0 0.292 0.359 0.350 0.000 0.009 0.000 3/29160 910.0 0.289 0.355 0.347 0.000 0.009 0.000 3/29160 920.0 0.286 0.351 0.343 0.000 0.009 0.000 3/29160 930.0 0.283 0.347 0.339 0.000 0.009 0.000 3/29160 940.0 0.280 0.344 0.336 0.000 0.009 0.000 3/29160 950.0 0.277 0.340 0.332 0.000 0.009 0.000 3/29160 960.0 0.274 0.336 0.329 0.000 0.009 0.000 3/29160 970.0 0.271 0.333 0.325 0.000 0.008 0.000 3/29160 980.0 0.268 0.330 0.322 0.000 0.008 0.000 3/29160 990.0 0.265 0.326 0.319 0.000 0.008 0.000 3/29160 1000.0 0.263 0.323 0.315 0.000 0.008 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m695.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:52:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|