----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:46:49]------------------------- 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 8.421057590771234 0.000000000000000 0.000000000000000 b 0.000000000000000 4.943106480000000 0.000000000000000 c -2.889908526653162 0.000000000000000 12.334452542947982 Atomic positions (fractional): *1 Na 0.85951507219846 0.28649026665082 0.02531718407790 22.990 *2 Na 0.61990638612984 0.74723648236157 0.05264582524981 22.990 3 Na 0.38009361387016 0.24723648236157 0.44735417475019 22.990 4 Na 0.85951507219846 0.21350973334918 0.52531718407790 22.990 5 Na 0.14048492780154 0.78649026665082 0.47468281592210 22.990 6 Na 0.61990638612984 0.75276351763843 0.55264582524981 22.990 7 Na 0.38009361387016 0.25276351763843 0.94735417475019 22.990 8 Na 0.14048492780154 0.71350973334918 0.97468281592210 22.990 *9 Ge 0.59945378220919 0.20244244025828 0.22229405699972 72.640 *10 Ge 0.97579192668565 0.33292693956910 0.32165908516355 72.640 11 Ge 0.02420807331435 0.83292693956910 0.17834091483646 72.640 12 Ge 0.40054621779081 0.70244244025828 0.27770594300028 72.640 13 Ge 0.59945378220919 0.29755755974172 0.72229405699972 72.640 14 Ge 0.97579192668565 0.16707306043090 0.82165908516355 72.640 15 Ge 0.02420807331435 0.66707306043090 0.67834091483645 72.640 16 Ge 0.40054621779081 0.79755755974172 0.77770594300028 72.640 *17 O 0.89699781295674 0.75885157628491 0.05663479279045 15.999 *18 O 0.61179676650210 0.27390684067693 0.09201907901485 15.999 *19 O 0.98677293319582 0.68884760081552 0.29847595601626 15.999 *20 O 0.56287361040074 0.84553490501064 0.22742417702075 15.999 *21 O 0.22834972561549 0.76350208643032 0.16933361060385 15.999 22 O 0.77165027438450 0.26350208643032 0.33066638939615 15.999 23 O 0.43712638959926 0.34553490501064 0.27257582297925 15.999 24 O 0.01322706680418 0.18884760081552 0.20152404398374 15.999 25 O 0.38820323349790 0.77390684067692 0.40798092098514 15.999 26 O 0.89699781295674 0.74114842371509 0.55663479279045 15.999 27 O 0.10300218704326 0.25885157628491 0.44336520720955 15.999 28 O 0.61179676650210 0.22609315932307 0.59201907901485 15.999 29 O 0.98677293319582 0.81115239918448 0.79847595601626 15.999 30 O 0.56287361040074 0.65446509498936 0.72742417702075 15.999 31 O 0.22834972561549 0.73649791356968 0.66933361060385 15.999 32 O 0.77165027438450 0.23649791356968 0.83066638939615 15.999 33 O 0.43712638959926 0.15446509498936 0.77257582297925 15.999 34 O 0.01322706680418 0.31115239918448 0.70152404398374 15.999 35 O 0.38820323349790 0.72609315932308 0.90798092098515 15.999 36 O 0.10300218704326 0.24114842371509 0.94336520720955 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.421057590771234 0.000000000000000 0.000000000000000 b 0.000000000000000 4.943106480000000 0.000000000000000 c -2.889908526653162 0.000000000000000 12.334452542947982 Atomic positions (fractional): *1 Na 0.85951507219846 0.28649026665082 0.02531718407790 22.990 > 1 *2 Na 0.61990638612984 0.74723648236157 0.05264582524981 22.990 > 2 3 Na 0.38009361387016 0.24723648236157 0.44735417475019 22.990 > 3 4 Na 0.85951507219846 0.21350973334918 0.52531718407790 22.990 > 4 5 Na 0.14048492780154 0.78649026665082 0.47468281592210 22.990 > 5 6 Na 0.61990638612984 0.75276351763843 0.55264582524981 22.990 > 6 7 Na 0.38009361387016 0.25276351763843 0.94735417475019 22.990 > 7 8 Na 0.14048492780154 0.71350973334918 0.97468281592210 22.990 > 8 *9 Ge 0.59945378220919 0.20244244025828 0.22229405699972 72.640 > 9 *10 Ge 0.97579192668565 0.33292693956910 0.32165908516355 72.640 > 10 11 Ge 0.02420807331435 0.83292693956910 0.17834091483646 72.640 > 11 12 Ge 0.40054621779081 0.70244244025828 0.27770594300028 72.640 > 12 13 Ge 0.59945378220919 0.29755755974172 0.72229405699972 72.640 > 13 14 Ge 0.97579192668565 0.16707306043090 0.82165908516355 72.640 > 14 15 Ge 0.02420807331435 0.66707306043090 0.67834091483645 72.640 > 15 16 Ge 0.40054621779081 0.79755755974172 0.77770594300028 72.640 > 16 *17 O 0.89699781295674 0.75885157628491 0.05663479279045 15.999 > 17 *18 O 0.61179676650210 0.27390684067693 0.09201907901485 15.999 > 18 *19 O 0.98677293319582 0.68884760081552 0.29847595601626 15.999 > 19 *20 O 0.56287361040074 0.84553490501064 0.22742417702075 15.999 > 20 *21 O 0.22834972561549 0.76350208643032 0.16933361060385 15.999 > 21 22 O 0.77165027438450 0.26350208643032 0.33066638939615 15.999 > 22 23 O 0.43712638959926 0.34553490501064 0.27257582297925 15.999 > 23 24 O 0.01322706680418 0.18884760081552 0.20152404398374 15.999 > 24 25 O 0.38820323349790 0.77390684067692 0.40798092098514 15.999 > 25 26 O 0.89699781295674 0.74114842371509 0.55663479279045 15.999 > 26 27 O 0.10300218704326 0.25885157628491 0.44336520720955 15.999 > 27 28 O 0.61179676650210 0.22609315932307 0.59201907901485 15.999 > 28 29 O 0.98677293319582 0.81115239918448 0.79847595601626 15.999 > 29 30 O 0.56287361040074 0.65446509498936 0.72742417702075 15.999 > 30 31 O 0.22834972561549 0.73649791356968 0.66933361060385 15.999 > 31 32 O 0.77165027438450 0.23649791356968 0.83066638939615 15.999 > 32 33 O 0.43712638959926 0.15446509498936 0.77257582297925 15.999 > 33 34 O 0.01322706680418 0.31115239918448 0.70152404398374 15.999 > 34 35 O 0.38820323349790 0.72609315932308 0.90798092098515 15.999 > 35 36 O 0.10300218704326 0.24114842371509 0.94336520720955 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.842115181542468 0.000000000000000 0.000000000000000 b 0.000000000000000 9.886212960000000 0.000000000000000 c -2.889908526653162 0.000000000000000 12.334452542947982 Atomic positions (fractional): *1 Na 0.42975753609923 0.14324513332541 0.02531718407790 22.990 > 1 2 Na 0.92975753609923 0.14324513332541 0.02531718407790 22.990 > 1 3 Na 0.42975753609923 0.64324513332541 0.02531718407790 22.990 > 1 4 Na 0.92975753609923 0.64324513332541 0.02531718407790 22.990 > 1 *5 Na 0.30995319306492 0.37361824118079 0.05264582524981 22.990 > 2 6 Na 0.80995319306492 0.37361824118079 0.05264582524981 22.990 > 2 7 Na 0.30995319306492 0.87361824118079 0.05264582524981 22.990 > 2 8 Na 0.80995319306492 0.87361824118079 0.05264582524981 22.990 > 2 9 Na 0.19004680693508 0.12361824118079 0.44735417475019 22.990 > 3 10 Na 0.69004680693508 0.12361824118079 0.44735417475019 22.990 > 3 11 Na 0.19004680693508 0.62361824118079 0.44735417475019 22.990 > 3 12 Na 0.69004680693508 0.62361824118079 0.44735417475019 22.990 > 3 13 Na 0.42975753609923 0.10675486667459 0.52531718407790 22.990 > 4 14 Na 0.92975753609923 0.10675486667459 0.52531718407790 22.990 > 4 15 Na 0.42975753609923 0.60675486667459 0.52531718407790 22.990 > 4 16 Na 0.92975753609923 0.60675486667459 0.52531718407790 22.990 > 4 17 Na 0.07024246390077 0.39324513332541 0.47468281592210 22.990 > 5 18 Na 0.57024246390077 0.39324513332541 0.47468281592210 22.990 > 5 19 Na 0.07024246390077 0.89324513332541 0.47468281592210 22.990 > 5 20 Na 0.57024246390077 0.89324513332541 0.47468281592210 22.990 > 5 21 Na 0.30995319306492 0.37638175881921 0.55264582524981 22.990 > 6 22 Na 0.80995319306492 0.37638175881921 0.55264582524981 22.990 > 6 23 Na 0.30995319306492 0.87638175881921 0.55264582524981 22.990 > 6 24 Na 0.80995319306492 0.87638175881921 0.55264582524981 22.990 > 6 25 Na 0.19004680693508 0.12638175881921 0.94735417475019 22.990 > 7 26 Na 0.69004680693508 0.12638175881921 0.94735417475019 22.990 > 7 27 Na 0.19004680693508 0.62638175881921 0.94735417475019 22.990 > 7 28 Na 0.69004680693508 0.62638175881921 0.94735417475019 22.990 > 7 29 Na 0.07024246390077 0.35675486667459 0.97468281592210 22.990 > 8 30 Na 0.57024246390077 0.35675486667459 0.97468281592210 22.990 > 8 31 Na 0.07024246390077 0.85675486667459 0.97468281592210 22.990 > 8 32 Na 0.57024246390077 0.85675486667459 0.97468281592210 22.990 > 8 *33 Ge 0.29972689110460 0.10122122012914 0.22229405699972 72.640 > 9 34 Ge 0.79972689110460 0.10122122012914 0.22229405699972 72.640 > 9 35 Ge 0.29972689110460 0.60122122012914 0.22229405699972 72.640 > 9 36 Ge 0.79972689110460 0.60122122012914 0.22229405699972 72.640 > 9 *37 Ge 0.48789596334283 0.16646346978455 0.32165908516355 72.640 > 10 38 Ge 0.98789596334283 0.16646346978455 0.32165908516355 72.640 > 10 39 Ge 0.48789596334283 0.66646346978455 0.32165908516355 72.640 > 10 40 Ge 0.98789596334283 0.66646346978455 0.32165908516355 72.640 > 10 41 Ge 0.01210403665717 0.41646346978455 0.17834091483646 72.640 > 11 42 Ge 0.51210403665717 0.41646346978455 0.17834091483646 72.640 > 11 43 Ge 0.01210403665717 0.91646346978455 0.17834091483646 72.640 > 11 44 Ge 0.51210403665717 0.91646346978455 0.17834091483646 72.640 > 11 45 Ge 0.20027310889540 0.35122122012914 0.27770594300028 72.640 > 12 46 Ge 0.70027310889540 0.35122122012914 0.27770594300028 72.640 > 12 47 Ge 0.20027310889540 0.85122122012914 0.27770594300028 72.640 > 12 48 Ge 0.70027310889540 0.85122122012914 0.27770594300028 72.640 > 12 49 Ge 0.29972689110460 0.14877877987086 0.72229405699972 72.640 > 13 50 Ge 0.79972689110460 0.14877877987086 0.72229405699972 72.640 > 13 51 Ge 0.29972689110460 0.64877877987086 0.72229405699972 72.640 > 13 52 Ge 0.79972689110460 0.64877877987086 0.72229405699972 72.640 > 13 53 Ge 0.48789596334283 0.08353653021545 0.82165908516355 72.640 > 14 54 Ge 0.98789596334283 0.08353653021545 0.82165908516355 72.640 > 14 55 Ge 0.48789596334283 0.58353653021545 0.82165908516355 72.640 > 14 56 Ge 0.98789596334283 0.58353653021545 0.82165908516355 72.640 > 14 57 Ge 0.01210403665717 0.33353653021545 0.67834091483645 72.640 > 15 58 Ge 0.51210403665717 0.33353653021545 0.67834091483645 72.640 > 15 59 Ge 0.01210403665717 0.83353653021545 0.67834091483645 72.640 > 15 60 Ge 0.51210403665717 0.83353653021545 0.67834091483645 72.640 > 15 61 Ge 0.20027310889540 0.39877877987086 0.77770594300028 72.640 > 16 62 Ge 0.70027310889540 0.39877877987086 0.77770594300028 72.640 > 16 63 Ge 0.20027310889540 0.89877877987086 0.77770594300028 72.640 > 16 64 Ge 0.70027310889540 0.89877877987086 0.77770594300028 72.640 > 16 *65 O 0.44849890647837 0.37942578814245 0.05663479279045 15.999 > 17 66 O 0.94849890647837 0.37942578814245 0.05663479279045 15.999 > 17 67 O 0.44849890647837 0.87942578814245 0.05663479279045 15.999 > 17 68 O 0.94849890647837 0.87942578814245 0.05663479279045 15.999 > 17 *69 O 0.30589838325105 0.13695342033846 0.09201907901485 15.999 > 18 70 O 0.80589838325105 0.13695342033846 0.09201907901485 15.999 > 18 71 O 0.30589838325105 0.63695342033846 0.09201907901485 15.999 > 18 72 O 0.80589838325105 0.63695342033846 0.09201907901485 15.999 > 18 *73 O 0.49338646659791 0.34442380040776 0.29847595601626 15.999 > 19 74 O 0.99338646659791 0.34442380040776 0.29847595601626 15.999 > 19 75 O 0.49338646659791 0.84442380040776 0.29847595601626 15.999 > 19 76 O 0.99338646659791 0.84442380040776 0.29847595601626 15.999 > 19 *77 O 0.28143680520037 0.42276745250532 0.22742417702075 15.999 > 20 78 O 0.78143680520037 0.42276745250532 0.22742417702075 15.999 > 20 79 O 0.28143680520037 0.92276745250532 0.22742417702075 15.999 > 20 80 O 0.78143680520037 0.92276745250532 0.22742417702075 15.999 > 20 *81 O 0.11417486280775 0.38175104321516 0.16933361060385 15.999 > 21 82 O 0.61417486280775 0.38175104321516 0.16933361060385 15.999 > 21 83 O 0.11417486280775 0.88175104321516 0.16933361060385 15.999 > 21 84 O 0.61417486280775 0.88175104321516 0.16933361060385 15.999 > 21 85 O 0.38582513719225 0.13175104321516 0.33066638939615 15.999 > 22 86 O 0.88582513719225 0.13175104321516 0.33066638939615 15.999 > 22 87 O 0.38582513719225 0.63175104321516 0.33066638939615 15.999 > 22 88 O 0.88582513719225 0.63175104321516 0.33066638939615 15.999 > 22 89 O 0.21856319479963 0.17276745250532 0.27257582297925 15.999 > 23 90 O 0.71856319479963 0.17276745250532 0.27257582297925 15.999 > 23 91 O 0.21856319479963 0.67276745250532 0.27257582297925 15.999 > 23 92 O 0.71856319479963 0.67276745250532 0.27257582297925 15.999 > 23 93 O 0.00661353340209 0.09442380040776 0.20152404398374 15.999 > 24 94 O 0.50661353340209 0.09442380040776 0.20152404398374 15.999 > 24 95 O 0.00661353340209 0.59442380040776 0.20152404398374 15.999 > 24 96 O 0.50661353340209 0.59442380040776 0.20152404398374 15.999 > 24 97 O 0.19410161674895 0.38695342033846 0.40798092098514 15.999 > 25 98 O 0.69410161674895 0.38695342033846 0.40798092098514 15.999 > 25 99 O 0.19410161674895 0.88695342033846 0.40798092098514 15.999 > 25 100 O 0.69410161674895 0.88695342033846 0.40798092098514 15.999 > 25 101 O 0.44849890647837 0.37057421185755 0.55663479279045 15.999 > 26 102 O 0.94849890647837 0.37057421185755 0.55663479279045 15.999 > 26 103 O 0.44849890647837 0.87057421185755 0.55663479279045 15.999 > 26 104 O 0.94849890647837 0.87057421185755 0.55663479279045 15.999 > 26 105 O 0.05150109352163 0.12942578814245 0.44336520720955 15.999 > 27 106 O 0.55150109352163 0.12942578814245 0.44336520720955 15.999 > 27 107 O 0.05150109352163 0.62942578814245 0.44336520720955 15.999 > 27 108 O 0.55150109352163 0.62942578814245 0.44336520720955 15.999 > 27 109 O 0.30589838325105 0.11304657966154 0.59201907901485 15.999 > 28 110 O 0.80589838325105 0.11304657966154 0.59201907901485 15.999 > 28 111 O 0.30589838325105 0.61304657966154 0.59201907901485 15.999 > 28 112 O 0.80589838325105 0.61304657966154 0.59201907901485 15.999 > 28 113 O 0.49338646659791 0.40557619959224 0.79847595601626 15.999 > 29 114 O 0.99338646659791 0.40557619959224 0.79847595601626 15.999 > 29 115 O 0.49338646659791 0.90557619959224 0.79847595601626 15.999 > 29 116 O 0.99338646659791 0.90557619959224 0.79847595601626 15.999 > 29 117 O 0.28143680520037 0.32723254749468 0.72742417702075 15.999 > 30 118 O 0.78143680520037 0.32723254749468 0.72742417702075 15.999 > 30 119 O 0.28143680520037 0.82723254749468 0.72742417702075 15.999 > 30 120 O 0.78143680520037 0.82723254749468 0.72742417702075 15.999 > 30 121 O 0.11417486280775 0.36824895678484 0.66933361060385 15.999 > 31 122 O 0.61417486280775 0.36824895678484 0.66933361060385 15.999 > 31 123 O 0.11417486280775 0.86824895678484 0.66933361060385 15.999 > 31 124 O 0.61417486280775 0.86824895678484 0.66933361060385 15.999 > 31 125 O 0.38582513719225 0.11824895678484 0.83066638939615 15.999 > 32 126 O 0.88582513719225 0.11824895678484 0.83066638939615 15.999 > 32 127 O 0.38582513719225 0.61824895678484 0.83066638939615 15.999 > 32 128 O 0.88582513719225 0.61824895678484 0.83066638939615 15.999 > 32 129 O 0.21856319479963 0.07723254749468 0.77257582297925 15.999 > 33 130 O 0.71856319479963 0.07723254749468 0.77257582297925 15.999 > 33 131 O 0.21856319479963 0.57723254749468 0.77257582297925 15.999 > 33 132 O 0.71856319479963 0.57723254749468 0.77257582297925 15.999 > 33 133 O 0.00661353340209 0.15557619959224 0.70152404398374 15.999 > 34 134 O 0.50661353340209 0.15557619959224 0.70152404398374 15.999 > 34 135 O 0.00661353340209 0.65557619959224 0.70152404398374 15.999 > 34 136 O 0.50661353340209 0.65557619959224 0.70152404398374 15.999 > 34 137 O 0.19410161674895 0.36304657966154 0.90798092098515 15.999 > 35 138 O 0.69410161674895 0.36304657966154 0.90798092098515 15.999 > 35 139 O 0.19410161674895 0.86304657966154 0.90798092098515 15.999 > 35 140 O 0.69410161674895 0.86304657966154 0.90798092098515 15.999 > 35 141 O 0.05150109352163 0.12057421185755 0.94336520720955 15.999 > 36 142 O 0.55150109352163 0.12057421185755 0.94336520720955 15.999 > 36 143 O 0.05150109352163 0.62057421185755 0.94336520720955 15.999 > 36 144 O 0.55150109352163 0.62057421185755 0.94336520720955 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8102940 0.0000000 0.0112687 0.0000000 2.8424353 0.0000000 0.0112678 0.0000000 2.7135798 -------------------------- Born effective charges -------------------------- 1 Na 0.9758236 0.0062965 -0.0631223 -0.0110789 1.0182894 -0.0267174 -0.1798275 0.0164736 1.2360060 2 Na 1.0387304 -0.0071286 -0.0337561 -0.0138585 1.0495636 0.0324288 0.1694451 0.0066264 1.1301476 3 Na 1.0387304 0.0071286 -0.0337561 0.0138585 1.0495636 -0.0324288 0.1694451 -0.0066264 1.1301476 4 Na 0.9758236 -0.0062965 -0.0631223 0.0110789 1.0182894 0.0267174 -0.1798275 -0.0164736 1.2360060 5 Na 0.9758236 -0.0062965 -0.0631223 0.0110789 1.0182894 0.0267174 -0.1798275 -0.0164736 1.2360060 6 Na 1.0387304 0.0071286 -0.0337561 0.0138585 1.0495636 -0.0324288 0.1694451 -0.0066264 1.1301476 7 Na 1.0387304 -0.0071286 -0.0337561 -0.0138585 1.0495636 0.0324288 0.1694451 0.0066264 1.1301476 8 Na 0.9758236 0.0062965 -0.0631223 -0.0110789 1.0182894 -0.0267174 -0.1798275 0.0164736 1.2360060 9 Ge 3.3178353 0.5230168 0.2765666 -0.3377846 3.2645787 0.2640526 -0.0966277 -0.0795275 2.5102300 10 Ge 3.0957399 0.3973938 -0.1485164 -0.0310220 3.2809048 0.3948867 0.1758819 -0.2360736 2.6554453 11 Ge 3.0957399 -0.3973938 -0.1485164 0.0310220 3.2809048 -0.3948867 0.1758819 0.2360736 2.6554453 12 Ge 3.3178353 -0.5230168 0.2765666 0.3377846 3.2645787 -0.2640526 -0.0966277 0.0795275 2.5102300 13 Ge 3.3178353 -0.5230168 0.2765666 0.3377846 3.2645787 -0.2640526 -0.0966277 0.0795275 2.5102300 14 Ge 3.0957399 -0.3973938 -0.1485164 0.0310220 3.2809048 -0.3948867 0.1758819 0.2360736 2.6554453 15 Ge 3.0957399 0.3973938 -0.1485164 -0.0310220 3.2809048 0.3948867 0.1758819 -0.2360736 2.6554453 16 Ge 3.3178353 0.5230168 0.2765666 -0.3377846 3.2645787 0.2640526 -0.0966277 -0.0795275 2.5102300 17 O -1.4341582 -0.0195168 -0.1790463 -0.0627702 -1.4039238 -0.0404291 -0.1296677 -0.1224138 -1.6907030 18 O -1.3829561 -0.0929130 0.1465513 0.0251292 -1.3877169 0.0903254 0.0543117 0.1213780 -1.8067059 19 O -1.1892688 -0.3909407 0.3212154 -0.3395276 -2.3864908 0.6948050 0.1349790 0.4837949 -1.5273219 20 O -1.8130941 -0.6984388 0.3400202 -0.7031838 -2.3699810 0.2447944 0.2680218 0.1469078 -1.0317797 21 O -2.6086520 0.3767049 -0.6599124 0.2038382 -1.0652240 0.1628918 -0.3965167 0.0541602 -1.4753184 22 O -2.6086520 -0.3767049 -0.6599124 -0.2038382 -1.0652240 -0.1628918 -0.3965167 -0.0541602 -1.4753184 23 O -1.8130941 0.6984388 0.3400202 0.7031838 -2.3699810 -0.2447944 0.2680218 -0.1469078 -1.0317797 24 O -1.1892688 0.3909407 0.3212154 0.3395276 -2.3864908 -0.6948050 0.1349790 -0.4837949 -1.5273219 25 O -1.3829561 0.0929130 0.1465513 -0.0251292 -1.3877169 -0.0903254 0.0543117 -0.1213780 -1.8067059 26 O -1.4341582 0.0195168 -0.1790463 0.0627702 -1.4039238 0.0404291 -0.1296677 0.1224138 -1.6907030 27 O -1.4341582 0.0195168 -0.1790463 0.0627702 -1.4039238 0.0404291 -0.1296677 0.1224138 -1.6907030 28 O -1.3829561 0.0929130 0.1465513 -0.0251292 -1.3877169 -0.0903254 0.0543117 -0.1213780 -1.8067059 29 O -1.1892688 0.3909407 0.3212154 0.3395276 -2.3864908 -0.6948050 0.1349790 -0.4837949 -1.5273219 30 O -1.8130941 0.6984388 0.3400202 0.7031838 -2.3699810 -0.2447944 0.2680218 -0.1469078 -1.0317797 31 O -2.6086520 -0.3767049 -0.6599124 -0.2038382 -1.0652240 -0.1628918 -0.3965167 -0.0541602 -1.4753184 32 O -2.6086520 0.3767049 -0.6599124 0.2038382 -1.0652240 0.1628918 -0.3965167 0.0541602 -1.4753184 33 O -1.8130941 -0.6984388 0.3400202 -0.7031838 -2.3699810 0.2447944 0.2680218 0.1469078 -1.0317797 34 O -1.1892688 -0.3909407 0.3212154 -0.3395276 -2.3864908 0.6948050 0.1349790 0.4837949 -1.5273219 35 O -1.3829561 -0.0929130 0.1465513 0.0251292 -1.3877169 0.0903254 0.0543117 0.1213780 -1.8067059 36 O -1.4341582 -0.0195168 -0.1790463 -0.0627702 -1.4039238 -0.0404291 -0.1296677 -0.1224138 -1.6907030 ---------------------------------------------------------------------------- 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) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 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) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 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, 16), data: (500, 34) @ (34, 16) |-- (250, 234), 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, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.895 Solver_block: 200 / 1120 - Time: 1.690 Solver_block: 300 / 1120 - Time: 1.691 Solver_block: 400 / 1120 - Time: 1.688 Solver_block: 500 / 1120 - Time: 1.693 Solver_block: 600 / 1120 - Time: 1.688 Solver_block: 700 / 1120 - Time: 1.691 Solver_block: 800 / 1120 - Time: 1.689 Solver_block: 900 / 1120 - Time: 1.696 Solver_block: 1000 / 1120 - Time: 1.689 Solver_block: 1100 / 1120 - Time: 1.686 Solver_block: 1120 / 1120 - Time: 0.536 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.857 --------------------------------- 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) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 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) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 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, 16), data: (500, 34) @ (34, 16) |-- (250, 234), 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, 16), data: (500, 34) @ (34, 16) |-- (250, 234), 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 2026-01-09 02:48:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:48:11]------------------------- 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 8.421057590771234 0.000000000000000 0.000000000000000 b 0.000000000000000 4.943106480000000 0.000000000000000 c -2.889908526653162 0.000000000000000 12.334452542947982 Atomic positions (fractional): 1 Na 0.85951507219846 0.28649026665082 0.02531718407790 22.990 2 Na 0.61990638612984 0.74723648236157 0.05264582524981 22.990 3 Na 0.38009361387016 0.24723648236157 0.44735417475019 22.990 4 Na 0.85951507219846 0.21350973334918 0.52531718407790 22.990 5 Na 0.14048492780154 0.78649026665082 0.47468281592210 22.990 6 Na 0.61990638612984 0.75276351763843 0.55264582524981 22.990 7 Na 0.38009361387016 0.25276351763843 0.94735417475019 22.990 8 Na 0.14048492780154 0.71350973334918 0.97468281592210 22.990 9 Ge 0.59945378220919 0.20244244025828 0.22229405699972 72.640 10 Ge 0.97579192668565 0.33292693956910 0.32165908516355 72.640 11 Ge 0.02420807331435 0.83292693956910 0.17834091483646 72.640 12 Ge 0.40054621779081 0.70244244025828 0.27770594300028 72.640 13 Ge 0.59945378220919 0.29755755974172 0.72229405699972 72.640 14 Ge 0.97579192668565 0.16707306043090 0.82165908516355 72.640 15 Ge 0.02420807331435 0.66707306043090 0.67834091483645 72.640 16 Ge 0.40054621779081 0.79755755974172 0.77770594300028 72.640 17 O 0.89699781295674 0.75885157628491 0.05663479279045 15.999 18 O 0.61179676650210 0.27390684067693 0.09201907901485 15.999 19 O 0.98677293319582 0.68884760081552 0.29847595601626 15.999 20 O 0.56287361040074 0.84553490501064 0.22742417702075 15.999 21 O 0.22834972561549 0.76350208643032 0.16933361060385 15.999 22 O 0.77165027438450 0.26350208643032 0.33066638939615 15.999 23 O 0.43712638959926 0.34553490501064 0.27257582297925 15.999 24 O 0.01322706680418 0.18884760081552 0.20152404398374 15.999 25 O 0.38820323349790 0.77390684067692 0.40798092098514 15.999 26 O 0.89699781295674 0.74114842371509 0.55663479279045 15.999 27 O 0.10300218704326 0.25885157628491 0.44336520720955 15.999 28 O 0.61179676650210 0.22609315932307 0.59201907901485 15.999 29 O 0.98677293319582 0.81115239918448 0.79847595601626 15.999 30 O 0.56287361040074 0.65446509498936 0.72742417702075 15.999 31 O 0.22834972561549 0.73649791356968 0.66933361060385 15.999 32 O 0.77165027438450 0.23649791356968 0.83066638939615 15.999 33 O 0.43712638959926 0.15446509498936 0.77257582297925 15.999 34 O 0.01322706680418 0.31115239918448 0.70152404398374 15.999 35 O 0.38820323349790 0.72609315932308 0.90798092098515 15.999 36 O 0.10300218704326 0.24114842371509 0.94336520720955 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.842115181542468 0.000000000000000 0.000000000000000 b 0.000000000000000 9.886212960000000 0.000000000000000 c -2.889908526653162 0.000000000000000 12.334452542947982 Atomic positions (fractional): 1 Na 0.42975753609923 0.14324513332541 0.02531718407790 22.990 > 1 2 Na 0.92975753609923 0.14324513332541 0.02531718407790 22.990 > 1 3 Na 0.42975753609923 0.64324513332541 0.02531718407790 22.990 > 1 4 Na 0.92975753609923 0.64324513332541 0.02531718407790 22.990 > 1 5 Na 0.30995319306492 0.37361824118079 0.05264582524981 22.990 > 5 6 Na 0.80995319306492 0.37361824118079 0.05264582524981 22.990 > 5 7 Na 0.30995319306492 0.87361824118079 0.05264582524981 22.990 > 5 8 Na 0.80995319306492 0.87361824118079 0.05264582524981 22.990 > 5 9 Na 0.19004680693508 0.12361824118079 0.44735417475019 22.990 > 9 10 Na 0.69004680693508 0.12361824118079 0.44735417475019 22.990 > 9 11 Na 0.19004680693508 0.62361824118079 0.44735417475019 22.990 > 9 12 Na 0.69004680693508 0.62361824118079 0.44735417475019 22.990 > 9 13 Na 0.42975753609923 0.10675486667459 0.52531718407790 22.990 > 13 14 Na 0.92975753609923 0.10675486667459 0.52531718407790 22.990 > 13 15 Na 0.42975753609923 0.60675486667459 0.52531718407790 22.990 > 13 16 Na 0.92975753609923 0.60675486667459 0.52531718407790 22.990 > 13 17 Na 0.07024246390077 0.39324513332541 0.47468281592210 22.990 > 17 18 Na 0.57024246390077 0.39324513332541 0.47468281592210 22.990 > 17 19 Na 0.07024246390077 0.89324513332541 0.47468281592210 22.990 > 17 20 Na 0.57024246390077 0.89324513332541 0.47468281592210 22.990 > 17 21 Na 0.30995319306492 0.37638175881921 0.55264582524981 22.990 > 21 22 Na 0.80995319306492 0.37638175881921 0.55264582524981 22.990 > 21 23 Na 0.30995319306492 0.87638175881921 0.55264582524981 22.990 > 21 24 Na 0.80995319306492 0.87638175881921 0.55264582524981 22.990 > 21 25 Na 0.19004680693508 0.12638175881921 0.94735417475019 22.990 > 25 26 Na 0.69004680693508 0.12638175881921 0.94735417475019 22.990 > 25 27 Na 0.19004680693508 0.62638175881921 0.94735417475019 22.990 > 25 28 Na 0.69004680693508 0.62638175881921 0.94735417475019 22.990 > 25 29 Na 0.07024246390077 0.35675486667459 0.97468281592210 22.990 > 29 30 Na 0.57024246390077 0.35675486667459 0.97468281592210 22.990 > 29 31 Na 0.07024246390077 0.85675486667459 0.97468281592210 22.990 > 29 32 Na 0.57024246390077 0.85675486667459 0.97468281592210 22.990 > 29 33 Ge 0.29972689110460 0.10122122012914 0.22229405699972 72.640 > 33 34 Ge 0.79972689110460 0.10122122012914 0.22229405699972 72.640 > 33 35 Ge 0.29972689110460 0.60122122012914 0.22229405699972 72.640 > 33 36 Ge 0.79972689110460 0.60122122012914 0.22229405699972 72.640 > 33 37 Ge 0.48789596334283 0.16646346978455 0.32165908516355 72.640 > 37 38 Ge 0.98789596334283 0.16646346978455 0.32165908516355 72.640 > 37 39 Ge 0.48789596334283 0.66646346978455 0.32165908516355 72.640 > 37 40 Ge 0.98789596334283 0.66646346978455 0.32165908516355 72.640 > 37 41 Ge 0.01210403665717 0.41646346978455 0.17834091483646 72.640 > 41 42 Ge 0.51210403665717 0.41646346978455 0.17834091483646 72.640 > 41 43 Ge 0.01210403665717 0.91646346978455 0.17834091483646 72.640 > 41 44 Ge 0.51210403665717 0.91646346978455 0.17834091483646 72.640 > 41 45 Ge 0.20027310889540 0.35122122012914 0.27770594300028 72.640 > 45 46 Ge 0.70027310889540 0.35122122012914 0.27770594300028 72.640 > 45 47 Ge 0.20027310889540 0.85122122012914 0.27770594300028 72.640 > 45 48 Ge 0.70027310889540 0.85122122012914 0.27770594300028 72.640 > 45 49 Ge 0.29972689110460 0.14877877987086 0.72229405699972 72.640 > 49 50 Ge 0.79972689110460 0.14877877987086 0.72229405699972 72.640 > 49 51 Ge 0.29972689110460 0.64877877987086 0.72229405699972 72.640 > 49 52 Ge 0.79972689110460 0.64877877987086 0.72229405699972 72.640 > 49 53 Ge 0.48789596334283 0.08353653021545 0.82165908516355 72.640 > 53 54 Ge 0.98789596334283 0.08353653021545 0.82165908516355 72.640 > 53 55 Ge 0.48789596334283 0.58353653021545 0.82165908516355 72.640 > 53 56 Ge 0.98789596334283 0.58353653021545 0.82165908516355 72.640 > 53 57 Ge 0.01210403665717 0.33353653021545 0.67834091483645 72.640 > 57 58 Ge 0.51210403665717 0.33353653021545 0.67834091483645 72.640 > 57 59 Ge 0.01210403665717 0.83353653021545 0.67834091483645 72.640 > 57 60 Ge 0.51210403665717 0.83353653021545 0.67834091483645 72.640 > 57 61 Ge 0.20027310889540 0.39877877987086 0.77770594300028 72.640 > 61 62 Ge 0.70027310889540 0.39877877987086 0.77770594300028 72.640 > 61 63 Ge 0.20027310889540 0.89877877987086 0.77770594300028 72.640 > 61 64 Ge 0.70027310889540 0.89877877987086 0.77770594300028 72.640 > 61 65 O 0.44849890647837 0.37942578814245 0.05663479279045 15.999 > 65 66 O 0.94849890647837 0.37942578814245 0.05663479279045 15.999 > 65 67 O 0.44849890647837 0.87942578814245 0.05663479279045 15.999 > 65 68 O 0.94849890647837 0.87942578814245 0.05663479279045 15.999 > 65 69 O 0.30589838325105 0.13695342033846 0.09201907901485 15.999 > 69 70 O 0.80589838325105 0.13695342033846 0.09201907901485 15.999 > 69 71 O 0.30589838325105 0.63695342033846 0.09201907901485 15.999 > 69 72 O 0.80589838325105 0.63695342033846 0.09201907901485 15.999 > 69 73 O 0.49338646659791 0.34442380040776 0.29847595601626 15.999 > 73 74 O 0.99338646659791 0.34442380040776 0.29847595601626 15.999 > 73 75 O 0.49338646659791 0.84442380040776 0.29847595601626 15.999 > 73 76 O 0.99338646659791 0.84442380040776 0.29847595601626 15.999 > 73 77 O 0.28143680520037 0.42276745250532 0.22742417702075 15.999 > 77 78 O 0.78143680520037 0.42276745250532 0.22742417702075 15.999 > 77 79 O 0.28143680520037 0.92276745250532 0.22742417702075 15.999 > 77 80 O 0.78143680520037 0.92276745250532 0.22742417702075 15.999 > 77 81 O 0.11417486280775 0.38175104321516 0.16933361060385 15.999 > 81 82 O 0.61417486280775 0.38175104321516 0.16933361060385 15.999 > 81 83 O 0.11417486280775 0.88175104321516 0.16933361060385 15.999 > 81 84 O 0.61417486280775 0.88175104321516 0.16933361060385 15.999 > 81 85 O 0.38582513719225 0.13175104321516 0.33066638939615 15.999 > 85 86 O 0.88582513719225 0.13175104321516 0.33066638939615 15.999 > 85 87 O 0.38582513719225 0.63175104321516 0.33066638939615 15.999 > 85 88 O 0.88582513719225 0.63175104321516 0.33066638939615 15.999 > 85 89 O 0.21856319479963 0.17276745250532 0.27257582297925 15.999 > 89 90 O 0.71856319479963 0.17276745250532 0.27257582297925 15.999 > 89 91 O 0.21856319479963 0.67276745250532 0.27257582297925 15.999 > 89 92 O 0.71856319479963 0.67276745250532 0.27257582297925 15.999 > 89 93 O 0.00661353340209 0.09442380040776 0.20152404398374 15.999 > 93 94 O 0.50661353340209 0.09442380040776 0.20152404398374 15.999 > 93 95 O 0.00661353340209 0.59442380040776 0.20152404398374 15.999 > 93 96 O 0.50661353340209 0.59442380040776 0.20152404398374 15.999 > 93 97 O 0.19410161674895 0.38695342033846 0.40798092098514 15.999 > 97 98 O 0.69410161674895 0.38695342033846 0.40798092098514 15.999 > 97 99 O 0.19410161674895 0.88695342033846 0.40798092098514 15.999 > 97 100 O 0.69410161674895 0.88695342033846 0.40798092098514 15.999 > 97 101 O 0.44849890647837 0.37057421185755 0.55663479279045 15.999 > 101 102 O 0.94849890647837 0.37057421185755 0.55663479279045 15.999 > 101 103 O 0.44849890647837 0.87057421185755 0.55663479279045 15.999 > 101 104 O 0.94849890647837 0.87057421185755 0.55663479279045 15.999 > 101 105 O 0.05150109352163 0.12942578814245 0.44336520720955 15.999 > 105 106 O 0.55150109352163 0.12942578814245 0.44336520720955 15.999 > 105 107 O 0.05150109352163 0.62942578814245 0.44336520720955 15.999 > 105 108 O 0.55150109352163 0.62942578814245 0.44336520720955 15.999 > 105 109 O 0.30589838325105 0.11304657966154 0.59201907901485 15.999 > 109 110 O 0.80589838325105 0.11304657966154 0.59201907901485 15.999 > 109 111 O 0.30589838325105 0.61304657966154 0.59201907901485 15.999 > 109 112 O 0.80589838325105 0.61304657966154 0.59201907901485 15.999 > 109 113 O 0.49338646659791 0.40557619959224 0.79847595601626 15.999 > 113 114 O 0.99338646659791 0.40557619959224 0.79847595601626 15.999 > 113 115 O 0.49338646659791 0.90557619959224 0.79847595601626 15.999 > 113 116 O 0.99338646659791 0.90557619959224 0.79847595601626 15.999 > 113 117 O 0.28143680520037 0.32723254749468 0.72742417702075 15.999 > 117 118 O 0.78143680520037 0.32723254749468 0.72742417702075 15.999 > 117 119 O 0.28143680520037 0.82723254749468 0.72742417702075 15.999 > 117 120 O 0.78143680520037 0.82723254749468 0.72742417702075 15.999 > 117 121 O 0.11417486280775 0.36824895678484 0.66933361060385 15.999 > 121 122 O 0.61417486280775 0.36824895678484 0.66933361060385 15.999 > 121 123 O 0.11417486280775 0.86824895678484 0.66933361060385 15.999 > 121 124 O 0.61417486280775 0.86824895678484 0.66933361060385 15.999 > 121 125 O 0.38582513719225 0.11824895678484 0.83066638939615 15.999 > 125 126 O 0.88582513719225 0.11824895678484 0.83066638939615 15.999 > 125 127 O 0.38582513719225 0.61824895678484 0.83066638939615 15.999 > 125 128 O 0.88582513719225 0.61824895678484 0.83066638939615 15.999 > 125 129 O 0.21856319479963 0.07723254749468 0.77257582297925 15.999 > 129 130 O 0.71856319479963 0.07723254749468 0.77257582297925 15.999 > 129 131 O 0.21856319479963 0.57723254749468 0.77257582297925 15.999 > 129 132 O 0.71856319479963 0.57723254749468 0.77257582297925 15.999 > 129 133 O 0.00661353340209 0.15557619959224 0.70152404398374 15.999 > 133 134 O 0.50661353340209 0.15557619959224 0.70152404398374 15.999 > 133 135 O 0.00661353340209 0.65557619959224 0.70152404398374 15.999 > 133 136 O 0.50661353340209 0.65557619959224 0.70152404398374 15.999 > 133 137 O 0.19410161674895 0.36304657966154 0.90798092098515 15.999 > 137 138 O 0.69410161674895 0.36304657966154 0.90798092098515 15.999 > 137 139 O 0.19410161674895 0.86304657966154 0.90798092098515 15.999 > 137 140 O 0.69410161674895 0.86304657966154 0.90798092098515 15.999 > 137 141 O 0.05150109352163 0.12057421185755 0.94336520720955 15.999 > 141 142 O 0.55150109352163 0.12057421185755 0.94336520720955 15.999 > 141 143 O 0.05150109352163 0.62057421185755 0.94336520720955 15.999 > 141 144 O 0.55150109352163 0.62057421185755 0.94336520720955 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8102940 0.0000000 0.0112687 0.0000000 2.8424353 0.0000000 0.0112678 0.0000000 2.7135798 -------------------------- Born effective charges -------------------------- 1 Na 0.9758236 0.0062965 -0.0631223 -0.0110789 1.0182894 -0.0267174 -0.1798275 0.0164736 1.2360060 2 Na 1.0387304 -0.0071286 -0.0337561 -0.0138585 1.0495636 0.0324288 0.1694451 0.0066264 1.1301476 3 Na 1.0387304 0.0071286 -0.0337561 0.0138585 1.0495636 -0.0324288 0.1694451 -0.0066264 1.1301476 4 Na 0.9758236 -0.0062965 -0.0631223 0.0110789 1.0182894 0.0267174 -0.1798275 -0.0164736 1.2360060 5 Na 0.9758236 -0.0062965 -0.0631223 0.0110789 1.0182894 0.0267174 -0.1798275 -0.0164736 1.2360060 6 Na 1.0387304 0.0071286 -0.0337561 0.0138585 1.0495636 -0.0324288 0.1694451 -0.0066264 1.1301476 7 Na 1.0387304 -0.0071286 -0.0337561 -0.0138585 1.0495636 0.0324288 0.1694451 0.0066264 1.1301476 8 Na 0.9758236 0.0062965 -0.0631223 -0.0110789 1.0182894 -0.0267174 -0.1798275 0.0164736 1.2360060 9 Ge 3.3178353 0.5230168 0.2765666 -0.3377846 3.2645787 0.2640526 -0.0966277 -0.0795275 2.5102300 10 Ge 3.0957399 0.3973938 -0.1485164 -0.0310220 3.2809048 0.3948867 0.1758819 -0.2360736 2.6554453 11 Ge 3.0957399 -0.3973938 -0.1485164 0.0310220 3.2809048 -0.3948867 0.1758819 0.2360736 2.6554453 12 Ge 3.3178353 -0.5230168 0.2765666 0.3377846 3.2645787 -0.2640526 -0.0966277 0.0795275 2.5102300 13 Ge 3.3178353 -0.5230168 0.2765666 0.3377846 3.2645787 -0.2640526 -0.0966277 0.0795275 2.5102300 14 Ge 3.0957399 -0.3973938 -0.1485164 0.0310220 3.2809048 -0.3948867 0.1758819 0.2360736 2.6554453 15 Ge 3.0957399 0.3973938 -0.1485164 -0.0310220 3.2809048 0.3948867 0.1758819 -0.2360736 2.6554453 16 Ge 3.3178353 0.5230168 0.2765666 -0.3377846 3.2645787 0.2640526 -0.0966277 -0.0795275 2.5102300 17 O -1.4341582 -0.0195168 -0.1790463 -0.0627702 -1.4039238 -0.0404291 -0.1296677 -0.1224138 -1.6907030 18 O -1.3829561 -0.0929130 0.1465513 0.0251292 -1.3877169 0.0903254 0.0543117 0.1213780 -1.8067059 19 O -1.1892688 -0.3909407 0.3212154 -0.3395276 -2.3864908 0.6948050 0.1349790 0.4837949 -1.5273219 20 O -1.8130941 -0.6984388 0.3400202 -0.7031838 -2.3699810 0.2447944 0.2680218 0.1469078 -1.0317797 21 O -2.6086520 0.3767049 -0.6599124 0.2038382 -1.0652240 0.1628918 -0.3965167 0.0541602 -1.4753184 22 O -2.6086520 -0.3767049 -0.6599124 -0.2038382 -1.0652240 -0.1628918 -0.3965167 -0.0541602 -1.4753184 23 O -1.8130941 0.6984388 0.3400202 0.7031838 -2.3699810 -0.2447944 0.2680218 -0.1469078 -1.0317797 24 O -1.1892688 0.3909407 0.3212154 0.3395276 -2.3864908 -0.6948050 0.1349790 -0.4837949 -1.5273219 25 O -1.3829561 0.0929130 0.1465513 -0.0251292 -1.3877169 -0.0903254 0.0543117 -0.1213780 -1.8067059 26 O -1.4341582 0.0195168 -0.1790463 0.0627702 -1.4039238 0.0404291 -0.1296677 0.1224138 -1.6907030 27 O -1.4341582 0.0195168 -0.1790463 0.0627702 -1.4039238 0.0404291 -0.1296677 0.1224138 -1.6907030 28 O -1.3829561 0.0929130 0.1465513 -0.0251292 -1.3877169 -0.0903254 0.0543117 -0.1213780 -1.8067059 29 O -1.1892688 0.3909407 0.3212154 0.3395276 -2.3864908 -0.6948050 0.1349790 -0.4837949 -1.5273219 30 O -1.8130941 0.6984388 0.3400202 0.7031838 -2.3699810 -0.2447944 0.2680218 -0.1469078 -1.0317797 31 O -2.6086520 -0.3767049 -0.6599124 -0.2038382 -1.0652240 -0.1628918 -0.3965167 -0.0541602 -1.4753184 32 O -2.6086520 0.3767049 -0.6599124 0.2038382 -1.0652240 0.1628918 -0.3965167 0.0541602 -1.4753184 33 O -1.8130941 -0.6984388 0.3400202 -0.7031838 -2.3699810 0.2447944 0.2680218 0.1469078 -1.0317797 34 O -1.1892688 -0.3909407 0.3212154 -0.3395276 -2.3864908 0.6948050 0.1349790 0.4837949 -1.5273219 35 O -1.3829561 -0.0929130 0.1465513 0.0251292 -1.3877169 0.0903254 0.0543117 0.1213780 -1.8067059 36 O -1.4341582 -0.0195168 -0.1790463 -0.0627702 -1.4039238 -0.0404291 -0.1296677 -0.1224138 -1.6907030 ---------------------------------------------------------------------------- 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 37, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 69, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:49:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:49:14]------------------------- 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 8.421057590771234 0.000000000000000 0.000000000000000 b 0.000000000000000 4.943106480000000 0.000000000000000 c -2.889908526653162 0.000000000000000 12.334452542947982 Atomic positions (fractional): 1 Na 0.85951507219846 0.28649026665082 0.02531718407790 22.990 2 Na 0.61990638612984 0.74723648236157 0.05264582524981 22.990 3 Na 0.38009361387016 0.24723648236157 0.44735417475019 22.990 4 Na 0.85951507219846 0.21350973334918 0.52531718407790 22.990 5 Na 0.14048492780154 0.78649026665082 0.47468281592210 22.990 6 Na 0.61990638612984 0.75276351763843 0.55264582524981 22.990 7 Na 0.38009361387016 0.25276351763843 0.94735417475019 22.990 8 Na 0.14048492780154 0.71350973334918 0.97468281592210 22.990 9 Ge 0.59945378220919 0.20244244025828 0.22229405699972 72.640 10 Ge 0.97579192668565 0.33292693956910 0.32165908516355 72.640 11 Ge 0.02420807331435 0.83292693956910 0.17834091483646 72.640 12 Ge 0.40054621779081 0.70244244025828 0.27770594300028 72.640 13 Ge 0.59945378220919 0.29755755974172 0.72229405699972 72.640 14 Ge 0.97579192668565 0.16707306043090 0.82165908516355 72.640 15 Ge 0.02420807331435 0.66707306043090 0.67834091483645 72.640 16 Ge 0.40054621779081 0.79755755974172 0.77770594300028 72.640 17 O 0.89699781295674 0.75885157628491 0.05663479279045 15.999 18 O 0.61179676650210 0.27390684067693 0.09201907901485 15.999 19 O 0.98677293319582 0.68884760081552 0.29847595601626 15.999 20 O 0.56287361040074 0.84553490501064 0.22742417702075 15.999 21 O 0.22834972561549 0.76350208643032 0.16933361060385 15.999 22 O 0.77165027438450 0.26350208643032 0.33066638939615 15.999 23 O 0.43712638959926 0.34553490501064 0.27257582297925 15.999 24 O 0.01322706680418 0.18884760081552 0.20152404398374 15.999 25 O 0.38820323349790 0.77390684067692 0.40798092098514 15.999 26 O 0.89699781295674 0.74114842371509 0.55663479279045 15.999 27 O 0.10300218704326 0.25885157628491 0.44336520720955 15.999 28 O 0.61179676650210 0.22609315932307 0.59201907901485 15.999 29 O 0.98677293319582 0.81115239918448 0.79847595601626 15.999 30 O 0.56287361040074 0.65446509498936 0.72742417702075 15.999 31 O 0.22834972561549 0.73649791356968 0.66933361060385 15.999 32 O 0.77165027438450 0.23649791356968 0.83066638939615 15.999 33 O 0.43712638959926 0.15446509498936 0.77257582297925 15.999 34 O 0.01322706680418 0.31115239918448 0.70152404398374 15.999 35 O 0.38820323349790 0.72609315932308 0.90798092098515 15.999 36 O 0.10300218704326 0.24114842371509 0.94336520720955 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.842115181542468 0.000000000000000 0.000000000000000 b 0.000000000000000 9.886212960000000 0.000000000000000 c -2.889908526653162 0.000000000000000 12.334452542947982 Atomic positions (fractional): 1 Na 0.42975753609923 0.14324513332541 0.02531718407790 22.990 > 1 2 Na 0.92975753609923 0.14324513332541 0.02531718407790 22.990 > 1 3 Na 0.42975753609923 0.64324513332541 0.02531718407790 22.990 > 1 4 Na 0.92975753609923 0.64324513332541 0.02531718407790 22.990 > 1 5 Na 0.30995319306492 0.37361824118079 0.05264582524981 22.990 > 5 6 Na 0.80995319306492 0.37361824118079 0.05264582524981 22.990 > 5 7 Na 0.30995319306492 0.87361824118079 0.05264582524981 22.990 > 5 8 Na 0.80995319306492 0.87361824118079 0.05264582524981 22.990 > 5 9 Na 0.19004680693508 0.12361824118079 0.44735417475019 22.990 > 9 10 Na 0.69004680693508 0.12361824118079 0.44735417475019 22.990 > 9 11 Na 0.19004680693508 0.62361824118079 0.44735417475019 22.990 > 9 12 Na 0.69004680693508 0.62361824118079 0.44735417475019 22.990 > 9 13 Na 0.42975753609923 0.10675486667459 0.52531718407790 22.990 > 13 14 Na 0.92975753609923 0.10675486667459 0.52531718407790 22.990 > 13 15 Na 0.42975753609923 0.60675486667459 0.52531718407790 22.990 > 13 16 Na 0.92975753609923 0.60675486667459 0.52531718407790 22.990 > 13 17 Na 0.07024246390077 0.39324513332541 0.47468281592210 22.990 > 17 18 Na 0.57024246390077 0.39324513332541 0.47468281592210 22.990 > 17 19 Na 0.07024246390077 0.89324513332541 0.47468281592210 22.990 > 17 20 Na 0.57024246390077 0.89324513332541 0.47468281592210 22.990 > 17 21 Na 0.30995319306492 0.37638175881921 0.55264582524981 22.990 > 21 22 Na 0.80995319306492 0.37638175881921 0.55264582524981 22.990 > 21 23 Na 0.30995319306492 0.87638175881921 0.55264582524981 22.990 > 21 24 Na 0.80995319306492 0.87638175881921 0.55264582524981 22.990 > 21 25 Na 0.19004680693508 0.12638175881921 0.94735417475019 22.990 > 25 26 Na 0.69004680693508 0.12638175881921 0.94735417475019 22.990 > 25 27 Na 0.19004680693508 0.62638175881921 0.94735417475019 22.990 > 25 28 Na 0.69004680693508 0.62638175881921 0.94735417475019 22.990 > 25 29 Na 0.07024246390077 0.35675486667459 0.97468281592210 22.990 > 29 30 Na 0.57024246390077 0.35675486667459 0.97468281592210 22.990 > 29 31 Na 0.07024246390077 0.85675486667459 0.97468281592210 22.990 > 29 32 Na 0.57024246390077 0.85675486667459 0.97468281592210 22.990 > 29 33 Ge 0.29972689110460 0.10122122012914 0.22229405699972 72.640 > 33 34 Ge 0.79972689110460 0.10122122012914 0.22229405699972 72.640 > 33 35 Ge 0.29972689110460 0.60122122012914 0.22229405699972 72.640 > 33 36 Ge 0.79972689110460 0.60122122012914 0.22229405699972 72.640 > 33 37 Ge 0.48789596334283 0.16646346978455 0.32165908516355 72.640 > 37 38 Ge 0.98789596334283 0.16646346978455 0.32165908516355 72.640 > 37 39 Ge 0.48789596334283 0.66646346978455 0.32165908516355 72.640 > 37 40 Ge 0.98789596334283 0.66646346978455 0.32165908516355 72.640 > 37 41 Ge 0.01210403665717 0.41646346978455 0.17834091483646 72.640 > 41 42 Ge 0.51210403665717 0.41646346978455 0.17834091483646 72.640 > 41 43 Ge 0.01210403665717 0.91646346978455 0.17834091483646 72.640 > 41 44 Ge 0.51210403665717 0.91646346978455 0.17834091483646 72.640 > 41 45 Ge 0.20027310889540 0.35122122012914 0.27770594300028 72.640 > 45 46 Ge 0.70027310889540 0.35122122012914 0.27770594300028 72.640 > 45 47 Ge 0.20027310889540 0.85122122012914 0.27770594300028 72.640 > 45 48 Ge 0.70027310889540 0.85122122012914 0.27770594300028 72.640 > 45 49 Ge 0.29972689110460 0.14877877987086 0.72229405699972 72.640 > 49 50 Ge 0.79972689110460 0.14877877987086 0.72229405699972 72.640 > 49 51 Ge 0.29972689110460 0.64877877987086 0.72229405699972 72.640 > 49 52 Ge 0.79972689110460 0.64877877987086 0.72229405699972 72.640 > 49 53 Ge 0.48789596334283 0.08353653021545 0.82165908516355 72.640 > 53 54 Ge 0.98789596334283 0.08353653021545 0.82165908516355 72.640 > 53 55 Ge 0.48789596334283 0.58353653021545 0.82165908516355 72.640 > 53 56 Ge 0.98789596334283 0.58353653021545 0.82165908516355 72.640 > 53 57 Ge 0.01210403665717 0.33353653021545 0.67834091483645 72.640 > 57 58 Ge 0.51210403665717 0.33353653021545 0.67834091483645 72.640 > 57 59 Ge 0.01210403665717 0.83353653021545 0.67834091483645 72.640 > 57 60 Ge 0.51210403665717 0.83353653021545 0.67834091483645 72.640 > 57 61 Ge 0.20027310889540 0.39877877987086 0.77770594300028 72.640 > 61 62 Ge 0.70027310889540 0.39877877987086 0.77770594300028 72.640 > 61 63 Ge 0.20027310889540 0.89877877987086 0.77770594300028 72.640 > 61 64 Ge 0.70027310889540 0.89877877987086 0.77770594300028 72.640 > 61 65 O 0.44849890647837 0.37942578814245 0.05663479279045 15.999 > 65 66 O 0.94849890647837 0.37942578814245 0.05663479279045 15.999 > 65 67 O 0.44849890647837 0.87942578814245 0.05663479279045 15.999 > 65 68 O 0.94849890647837 0.87942578814245 0.05663479279045 15.999 > 65 69 O 0.30589838325105 0.13695342033846 0.09201907901485 15.999 > 69 70 O 0.80589838325105 0.13695342033846 0.09201907901485 15.999 > 69 71 O 0.30589838325105 0.63695342033846 0.09201907901485 15.999 > 69 72 O 0.80589838325105 0.63695342033846 0.09201907901485 15.999 > 69 73 O 0.49338646659791 0.34442380040776 0.29847595601626 15.999 > 73 74 O 0.99338646659791 0.34442380040776 0.29847595601626 15.999 > 73 75 O 0.49338646659791 0.84442380040776 0.29847595601626 15.999 > 73 76 O 0.99338646659791 0.84442380040776 0.29847595601626 15.999 > 73 77 O 0.28143680520037 0.42276745250532 0.22742417702075 15.999 > 77 78 O 0.78143680520037 0.42276745250532 0.22742417702075 15.999 > 77 79 O 0.28143680520037 0.92276745250532 0.22742417702075 15.999 > 77 80 O 0.78143680520037 0.92276745250532 0.22742417702075 15.999 > 77 81 O 0.11417486280775 0.38175104321516 0.16933361060385 15.999 > 81 82 O 0.61417486280775 0.38175104321516 0.16933361060385 15.999 > 81 83 O 0.11417486280775 0.88175104321516 0.16933361060385 15.999 > 81 84 O 0.61417486280775 0.88175104321516 0.16933361060385 15.999 > 81 85 O 0.38582513719225 0.13175104321516 0.33066638939615 15.999 > 85 86 O 0.88582513719225 0.13175104321516 0.33066638939615 15.999 > 85 87 O 0.38582513719225 0.63175104321516 0.33066638939615 15.999 > 85 88 O 0.88582513719225 0.63175104321516 0.33066638939615 15.999 > 85 89 O 0.21856319479963 0.17276745250532 0.27257582297925 15.999 > 89 90 O 0.71856319479963 0.17276745250532 0.27257582297925 15.999 > 89 91 O 0.21856319479963 0.67276745250532 0.27257582297925 15.999 > 89 92 O 0.71856319479963 0.67276745250532 0.27257582297925 15.999 > 89 93 O 0.00661353340209 0.09442380040776 0.20152404398374 15.999 > 93 94 O 0.50661353340209 0.09442380040776 0.20152404398374 15.999 > 93 95 O 0.00661353340209 0.59442380040776 0.20152404398374 15.999 > 93 96 O 0.50661353340209 0.59442380040776 0.20152404398374 15.999 > 93 97 O 0.19410161674895 0.38695342033846 0.40798092098514 15.999 > 97 98 O 0.69410161674895 0.38695342033846 0.40798092098514 15.999 > 97 99 O 0.19410161674895 0.88695342033846 0.40798092098514 15.999 > 97 100 O 0.69410161674895 0.88695342033846 0.40798092098514 15.999 > 97 101 O 0.44849890647837 0.37057421185755 0.55663479279045 15.999 > 101 102 O 0.94849890647837 0.37057421185755 0.55663479279045 15.999 > 101 103 O 0.44849890647837 0.87057421185755 0.55663479279045 15.999 > 101 104 O 0.94849890647837 0.87057421185755 0.55663479279045 15.999 > 101 105 O 0.05150109352163 0.12942578814245 0.44336520720955 15.999 > 105 106 O 0.55150109352163 0.12942578814245 0.44336520720955 15.999 > 105 107 O 0.05150109352163 0.62942578814245 0.44336520720955 15.999 > 105 108 O 0.55150109352163 0.62942578814245 0.44336520720955 15.999 > 105 109 O 0.30589838325105 0.11304657966154 0.59201907901485 15.999 > 109 110 O 0.80589838325105 0.11304657966154 0.59201907901485 15.999 > 109 111 O 0.30589838325105 0.61304657966154 0.59201907901485 15.999 > 109 112 O 0.80589838325105 0.61304657966154 0.59201907901485 15.999 > 109 113 O 0.49338646659791 0.40557619959224 0.79847595601626 15.999 > 113 114 O 0.99338646659791 0.40557619959224 0.79847595601626 15.999 > 113 115 O 0.49338646659791 0.90557619959224 0.79847595601626 15.999 > 113 116 O 0.99338646659791 0.90557619959224 0.79847595601626 15.999 > 113 117 O 0.28143680520037 0.32723254749468 0.72742417702075 15.999 > 117 118 O 0.78143680520037 0.32723254749468 0.72742417702075 15.999 > 117 119 O 0.28143680520037 0.82723254749468 0.72742417702075 15.999 > 117 120 O 0.78143680520037 0.82723254749468 0.72742417702075 15.999 > 117 121 O 0.11417486280775 0.36824895678484 0.66933361060385 15.999 > 121 122 O 0.61417486280775 0.36824895678484 0.66933361060385 15.999 > 121 123 O 0.11417486280775 0.86824895678484 0.66933361060385 15.999 > 121 124 O 0.61417486280775 0.86824895678484 0.66933361060385 15.999 > 121 125 O 0.38582513719225 0.11824895678484 0.83066638939615 15.999 > 125 126 O 0.88582513719225 0.11824895678484 0.83066638939615 15.999 > 125 127 O 0.38582513719225 0.61824895678484 0.83066638939615 15.999 > 125 128 O 0.88582513719225 0.61824895678484 0.83066638939615 15.999 > 125 129 O 0.21856319479963 0.07723254749468 0.77257582297925 15.999 > 129 130 O 0.71856319479963 0.07723254749468 0.77257582297925 15.999 > 129 131 O 0.21856319479963 0.57723254749468 0.77257582297925 15.999 > 129 132 O 0.71856319479963 0.57723254749468 0.77257582297925 15.999 > 129 133 O 0.00661353340209 0.15557619959224 0.70152404398374 15.999 > 133 134 O 0.50661353340209 0.15557619959224 0.70152404398374 15.999 > 133 135 O 0.00661353340209 0.65557619959224 0.70152404398374 15.999 > 133 136 O 0.50661353340209 0.65557619959224 0.70152404398374 15.999 > 133 137 O 0.19410161674895 0.36304657966154 0.90798092098515 15.999 > 137 138 O 0.69410161674895 0.36304657966154 0.90798092098515 15.999 > 137 139 O 0.19410161674895 0.86304657966154 0.90798092098515 15.999 > 137 140 O 0.69410161674895 0.86304657966154 0.90798092098515 15.999 > 137 141 O 0.05150109352163 0.12057421185755 0.94336520720955 15.999 > 141 142 O 0.55150109352163 0.12057421185755 0.94336520720955 15.999 > 141 143 O 0.05150109352163 0.62057421185755 0.94336520720955 15.999 > 141 144 O 0.55150109352163 0.62057421185755 0.94336520720955 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8102940 0.0000000 0.0112687 0.0000000 2.8424353 0.0000000 0.0112678 0.0000000 2.7135798 -------------------------- Born effective charges -------------------------- 1 Na 0.9758236 0.0062965 -0.0631223 -0.0110789 1.0182894 -0.0267174 -0.1798275 0.0164736 1.2360060 2 Na 1.0387304 -0.0071286 -0.0337561 -0.0138585 1.0495636 0.0324288 0.1694451 0.0066264 1.1301476 3 Na 1.0387304 0.0071286 -0.0337561 0.0138585 1.0495636 -0.0324288 0.1694451 -0.0066264 1.1301476 4 Na 0.9758236 -0.0062965 -0.0631223 0.0110789 1.0182894 0.0267174 -0.1798275 -0.0164736 1.2360060 5 Na 0.9758236 -0.0062965 -0.0631223 0.0110789 1.0182894 0.0267174 -0.1798275 -0.0164736 1.2360060 6 Na 1.0387304 0.0071286 -0.0337561 0.0138585 1.0495636 -0.0324288 0.1694451 -0.0066264 1.1301476 7 Na 1.0387304 -0.0071286 -0.0337561 -0.0138585 1.0495636 0.0324288 0.1694451 0.0066264 1.1301476 8 Na 0.9758236 0.0062965 -0.0631223 -0.0110789 1.0182894 -0.0267174 -0.1798275 0.0164736 1.2360060 9 Ge 3.3178353 0.5230168 0.2765666 -0.3377846 3.2645787 0.2640526 -0.0966277 -0.0795275 2.5102300 10 Ge 3.0957399 0.3973938 -0.1485164 -0.0310220 3.2809048 0.3948867 0.1758819 -0.2360736 2.6554453 11 Ge 3.0957399 -0.3973938 -0.1485164 0.0310220 3.2809048 -0.3948867 0.1758819 0.2360736 2.6554453 12 Ge 3.3178353 -0.5230168 0.2765666 0.3377846 3.2645787 -0.2640526 -0.0966277 0.0795275 2.5102300 13 Ge 3.3178353 -0.5230168 0.2765666 0.3377846 3.2645787 -0.2640526 -0.0966277 0.0795275 2.5102300 14 Ge 3.0957399 -0.3973938 -0.1485164 0.0310220 3.2809048 -0.3948867 0.1758819 0.2360736 2.6554453 15 Ge 3.0957399 0.3973938 -0.1485164 -0.0310220 3.2809048 0.3948867 0.1758819 -0.2360736 2.6554453 16 Ge 3.3178353 0.5230168 0.2765666 -0.3377846 3.2645787 0.2640526 -0.0966277 -0.0795275 2.5102300 17 O -1.4341582 -0.0195168 -0.1790463 -0.0627702 -1.4039238 -0.0404291 -0.1296677 -0.1224138 -1.6907030 18 O -1.3829561 -0.0929130 0.1465513 0.0251292 -1.3877169 0.0903254 0.0543117 0.1213780 -1.8067059 19 O -1.1892688 -0.3909407 0.3212154 -0.3395276 -2.3864908 0.6948050 0.1349790 0.4837949 -1.5273219 20 O -1.8130941 -0.6984388 0.3400202 -0.7031838 -2.3699810 0.2447944 0.2680218 0.1469078 -1.0317797 21 O -2.6086520 0.3767049 -0.6599124 0.2038382 -1.0652240 0.1628918 -0.3965167 0.0541602 -1.4753184 22 O -2.6086520 -0.3767049 -0.6599124 -0.2038382 -1.0652240 -0.1628918 -0.3965167 -0.0541602 -1.4753184 23 O -1.8130941 0.6984388 0.3400202 0.7031838 -2.3699810 -0.2447944 0.2680218 -0.1469078 -1.0317797 24 O -1.1892688 0.3909407 0.3212154 0.3395276 -2.3864908 -0.6948050 0.1349790 -0.4837949 -1.5273219 25 O -1.3829561 0.0929130 0.1465513 -0.0251292 -1.3877169 -0.0903254 0.0543117 -0.1213780 -1.8067059 26 O -1.4341582 0.0195168 -0.1790463 0.0627702 -1.4039238 0.0404291 -0.1296677 0.1224138 -1.6907030 27 O -1.4341582 0.0195168 -0.1790463 0.0627702 -1.4039238 0.0404291 -0.1296677 0.1224138 -1.6907030 28 O -1.3829561 0.0929130 0.1465513 -0.0251292 -1.3877169 -0.0903254 0.0543117 -0.1213780 -1.8067059 29 O -1.1892688 0.3909407 0.3212154 0.3395276 -2.3864908 -0.6948050 0.1349790 -0.4837949 -1.5273219 30 O -1.8130941 0.6984388 0.3400202 0.7031838 -2.3699810 -0.2447944 0.2680218 -0.1469078 -1.0317797 31 O -2.6086520 -0.3767049 -0.6599124 -0.2038382 -1.0652240 -0.1628918 -0.3965167 -0.0541602 -1.4753184 32 O -2.6086520 0.3767049 -0.6599124 0.2038382 -1.0652240 0.1628918 -0.3965167 0.0541602 -1.4753184 33 O -1.8130941 -0.6984388 0.3400202 -0.7031838 -2.3699810 0.2447944 0.2680218 0.1469078 -1.0317797 34 O -1.1892688 -0.3909407 0.3212154 -0.3395276 -2.3864908 0.6948050 0.1349790 0.4837949 -1.5273219 35 O -1.3829561 -0.0929130 0.1465513 0.0251292 -1.3877169 0.0903254 0.0543117 0.1213780 -1.8067059 36 O -1.4341582 -0.0195168 -0.1790463 -0.0627702 -1.4039238 -0.0404291 -0.1296677 -0.1224138 -1.6907030 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) 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 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 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 1.316 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 4.028 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.425 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.643 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.324 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 6.981 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.544 ( 0.000 0.000 0.000) 0.000 7.608 ( 0.000 0.000 0.000) 0.000 7.700 ( 0.000 0.000 0.000) 0.000 8.109 ( 0.000 0.000 0.000) 0.000 8.195 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.629 ( 0.000 0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 8.874 ( 0.000 0.000 0.000) 0.000 9.113 ( 0.000 0.000 0.000) 0.000 9.229 ( 0.000 0.000 0.000) 0.000 9.315 ( 0.000 0.000 0.000) 0.000 9.416 ( 0.000 0.000 0.000) 0.000 9.546 ( 0.000 0.000 0.000) 0.000 9.731 ( 0.000 0.000 0.000) 0.000 9.869 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 9.923 ( 0.000 0.000 0.000) 0.000 10.072 ( 0.000 0.000 0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 11.029 ( 0.000 0.000 0.000) 0.000 11.248 ( 0.000 0.000 0.000) 0.000 13.778 ( 0.000 0.000 0.000) 0.000 13.851 ( 0.000 0.000 0.000) 0.000 13.879 ( 0.000 0.000 0.000) 0.000 13.883 ( 0.000 0.000 0.000) 0.000 15.231 ( 0.000 0.000 0.000) 0.000 15.326 ( 0.000 0.000 0.000) 0.000 15.569 ( 0.000 0.000 0.000) 0.000 15.742 ( 0.000 0.000 0.000) 0.000 16.523 ( 0.000 0.000 0.000) 0.000 16.639 ( 0.000 0.000 0.000) 0.000 16.701 ( 0.000 0.000 0.000) 0.000 17.044 ( 0.000 0.000 0.000) 0.000 21.856 ( 0.000 0.000 0.000) 0.000 21.887 ( 0.000 0.000 0.000) 0.000 22.026 ( 0.000 0.000 0.000) 0.000 22.108 ( 0.000 0.000 0.000) 0.000 22.351 ( 0.000 0.000 0.000) 0.000 22.352 ( 0.000 0.000 0.000) 0.000 22.981 ( 0.000 0.000 0.000) 0.000 23.220 ( 0.000 0.000 0.000) 0.000 23.458 ( 0.000 0.000 0.000) 0.000 23.506 ( 0.000 0.000 0.000) 0.000 23.752 ( 0.000 0.000 0.000) 0.000 24.164 ( 0.000 0.000 0.000) 0.000 24.172 ( 0.000 0.000 0.000) 0.000 24.579 ( 0.000 0.000 0.000) 0.000 24.746 ( 0.000 0.000 0.000) 0.000 24.783 ( 0.000 0.000 0.000) 0.000 24.986 ( 0.000 0.000 0.000) 0.000 24.998 ( 0.000 0.000 0.000) 0.000 25.165 ( 0.000 0.000 0.000) 0.000 25.977 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 22.128 0.000 2.194) 22.237 0.581 ( 27.962 0.000 2.166) 28.046 1.045 ( 47.741 0.000 12.468) 49.342 1.481 ( 15.155 0.000 -0.982) 15.187 1.602 ( 9.774 0.000 -0.715) 9.800 2.186 ( -16.068 0.000 -4.091) 16.581 2.237 ( -20.403 0.000 0.409) 20.407 2.366 ( -8.530 0.000 -2.089) 8.782 2.666 ( -4.751 0.000 2.562) 5.397 2.694 ( -6.054 0.000 4.747) 7.693 3.147 ( 4.448 0.000 5.597) 7.150 3.237 ( -3.521 0.000 -5.029) 6.139 3.356 ( 13.250 0.000 -5.693) 14.421 3.418 ( 14.776 0.000 -5.267) 15.687 3.465 ( 5.887 0.000 -8.690) 10.496 3.646 ( -3.903 0.000 1.443) 4.162 3.947 ( -8.861 0.000 6.277) 10.859 3.970 ( -5.402 0.000 2.231) 5.844 4.266 ( 13.622 0.000 -4.226) 14.263 4.391 ( 1.146 0.000 -0.276) 1.179 4.459 ( -7.026 0.000 5.558) 8.958 4.618 ( -2.842 0.000 5.322) 6.034 4.703 ( -11.861 0.000 -3.475) 12.359 4.871 ( -3.710 0.000 3.750) 5.275 4.928 ( -3.544 0.000 -4.688) 5.877 5.062 ( -3.135 0.000 1.519) 3.483 5.220 ( 3.993 0.000 -0.025) 3.993 5.261 ( 6.016 0.000 -1.763) 6.269 5.306 ( -1.528 0.000 -0.179) 1.539 5.377 ( -12.712 0.000 1.184) 12.767 5.401 ( -0.045 0.000 -8.256) 8.256 5.500 ( -0.821 0.000 5.062) 5.128 5.662 ( 5.335 0.000 1.374) 5.509 5.696 ( -3.881 0.000 -2.572) 4.656 5.783 ( 1.833 0.000 0.862) 2.026 5.827 ( 2.309 0.000 0.073) 2.310 5.952 ( 1.563 0.000 -1.587) 2.227 5.988 ( 1.054 0.000 -0.066) 1.056 6.080 ( 0.413 0.000 -2.305) 2.342 6.142 ( -2.084 0.000 -0.877) 2.261 6.192 ( -2.103 0.000 2.578) 3.327 6.226 ( -8.888 0.000 -3.066) 9.402 6.452 ( 3.504 0.000 -0.917) 3.622 6.508 ( 12.141 0.000 1.372) 12.218 6.523 ( 2.082 0.000 0.269) 2.100 6.655 ( -2.896 0.000 0.120) 2.899 6.802 ( 5.615 0.000 5.183) 7.642 6.843 ( -3.476 0.000 0.127) 3.479 7.018 ( 3.145 0.000 -2.869) 4.257 7.061 ( -3.522 0.000 -6.622) 7.500 7.162 ( 9.376 0.000 -2.186) 9.627 7.320 ( -0.455 0.000 1.498) 1.565 7.525 ( -4.039 0.000 -5.507) 6.830 7.538 ( 2.622 0.000 -2.430) 3.575 7.656 ( 5.137 0.000 5.281) 7.367 7.808 ( -1.222 0.000 21.828) 21.862 8.121 ( -7.295 0.000 -0.658) 7.324 8.145 ( -8.404 0.000 1.129) 8.479 8.209 ( 0.378 0.000 -0.500) 0.626 8.430 ( 1.869 0.000 -1.628) 2.479 8.652 ( -11.879 0.000 -2.701) 12.182 8.672 ( 3.877 0.000 1.151) 4.044 8.855 ( -3.352 0.000 0.426) 3.379 9.063 ( -3.695 0.000 0.821) 3.785 9.162 ( -4.469 0.000 -2.547) 5.144 9.445 ( 6.033 0.000 1.374) 6.188 9.624 ( 6.515 0.000 -0.801) 6.564 9.732 ( -0.081 0.000 0.705) 0.709 9.775 ( -1.386 0.000 -2.575) 2.924 9.826 ( -0.967 0.000 -2.895) 3.052 9.941 ( 1.595 0.000 -0.959) 1.861 10.079 ( -1.288 0.000 -0.264) 1.315 10.408 ( 17.894 0.000 -3.948) 18.324 11.056 ( 1.939 0.000 3.175) 3.720 11.204 ( -2.406 0.000 5.853) 6.329 11.427 ( 1.296 0.000 -8.318) 8.418 13.789 ( 1.142 0.000 -0.375) 1.202 13.848 ( -0.407 0.000 0.372) 0.551 13.870 ( -0.633 0.000 -0.200) 0.664 13.880 ( -0.445 0.000 0.187) 0.482 15.186 ( -3.777 0.000 -0.423) 3.801 15.277 ( -4.167 0.000 -1.071) 4.302 15.612 ( 2.935 0.000 2.245) 3.694 15.721 ( -2.035 0.000 2.405) 3.150 16.693 ( -0.650 0.000 3.684) 3.740 16.709 ( 5.522 0.000 0.852) 5.587 16.747 ( 4.772 0.000 -20.612) 21.158 17.045 ( -0.521 0.000 1.865) 1.937 21.858 ( 0.185 0.000 -0.022) 0.187 21.889 ( 0.222 0.000 -0.100) 0.244 22.257 ( 12.122 0.000 -1.237) 12.185 22.351 ( 0.039 0.000 -0.008) 0.040 22.365 ( 3.013 0.000 0.782) 3.113 22.930 ( 3.295 0.000 -13.026) 13.436 23.198 ( -2.118 0.000 0.461) 2.167 23.436 ( 0.721 0.000 -14.415) 14.433 23.491 ( 3.339 0.000 0.637) 3.400 23.590 ( 11.514 0.000 -28.615) 30.844 24.115 ( -5.072 0.000 2.434) 5.625 24.151 ( -2.245 0.000 0.085) 2.247 24.570 ( -0.363 0.000 -1.486) 1.530 24.597 ( 2.004 0.000 -0.947) 2.216 24.743 ( 0.157 0.000 -3.390) 3.394 24.781 ( -0.793 0.000 1.396) 1.606 25.010 ( 2.468 0.000 -1.120) 2.711 25.030 ( 3.170 0.000 0.337) 3.187 25.482 ( -13.461 0.000 51.692) 53.415 25.890 ( -7.927 0.000 -1.161) 8.012 ======================= Grid point 2 (3/84) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 21.633 0.000 1.487) 21.684 1.112 ( 24.330 0.000 2.333) 24.442 1.755 ( 5.051 0.000 -3.170) 5.964 1.757 ( -14.850 0.000 3.816) 15.332 1.846 ( 6.157 0.000 -6.398) 8.879 1.899 ( -11.786 0.000 3.591) 12.321 1.916 ( 29.106 0.000 4.397) 29.436 2.203 ( -1.232 0.000 -4.558) 4.722 2.599 ( 1.525 0.000 3.594) 3.904 2.606 ( -3.870 0.000 4.567) 5.986 3.019 ( -14.487 0.000 -4.264) 15.101 3.174 ( -6.460 0.000 4.748) 8.017 3.404 ( -1.269 0.000 -6.904) 7.019 3.511 ( 2.319 0.000 -7.945) 8.276 3.669 ( 0.813 0.000 4.978) 5.044 3.767 ( 16.285 0.000 -4.121) 16.798 3.837 ( -0.322 0.000 3.409) 3.424 4.037 ( 11.369 0.000 0.776) 11.395 4.298 ( -4.004 0.000 3.168) 5.105 4.425 ( 1.236 0.000 1.783) 2.169 4.474 ( -8.376 0.000 -1.728) 8.553 4.569 ( -5.364 0.000 1.970) 5.714 4.580 ( 10.592 0.000 -3.375) 11.116 4.744 ( -7.530 0.000 1.492) 7.676 4.804 ( -4.338 0.000 4.917) 6.557 4.965 ( -11.783 0.000 -3.991) 12.440 5.124 ( -6.782 0.000 4.835) 8.328 5.147 ( -8.177 0.000 -10.858) 13.593 5.243 ( -3.910 0.000 -0.832) 3.997 5.320 ( 1.972 0.000 -0.527) 2.041 5.444 ( 2.756 0.000 1.384) 3.084 5.508 ( -1.651 0.000 1.855) 2.483 5.593 ( -3.052 0.000 -1.202) 3.280 5.768 ( 2.782 0.000 -0.372) 2.806 5.810 ( 0.317 0.000 -1.161) 1.204 5.902 ( 4.703 0.000 0.354) 4.717 5.948 ( -1.474 0.000 -2.178) 2.630 6.013 ( 2.042 0.000 -0.676) 2.151 6.026 ( -4.449 0.000 -0.554) 4.483 6.105 ( 0.863 0.000 0.374) 0.940 6.222 ( 6.053 0.000 -0.809) 6.107 6.258 ( 6.765 0.000 7.778) 10.309 6.542 ( -2.543 0.000 1.819) 3.127 6.542 ( 4.967 0.000 2.826) 5.714 6.617 ( 1.470 0.000 0.162) 1.479 6.735 ( 4.987 0.000 -1.781) 5.296 6.753 ( -2.070 0.000 0.521) 2.134 6.788 ( -2.939 0.000 -0.267) 2.951 7.068 ( 2.179 0.000 0.124) 2.183 7.072 ( -1.516 0.000 -4.443) 4.694 7.218 ( -7.781 0.000 -2.710) 8.239 7.355 ( 10.743 0.000 -1.036) 10.793 7.443 ( 4.542 0.000 0.766) 4.606 7.627 ( 4.813 0.000 1.039) 4.924 7.842 ( 2.629 0.000 1.178) 2.880 7.850 ( -1.939 0.000 6.191) 6.488 7.940 ( -5.073 0.000 0.022) 5.073 7.951 ( -8.399 0.000 0.752) 8.432 8.186 ( -3.837 0.000 1.920) 4.290 8.350 ( -10.409 0.000 -6.406) 12.222 8.526 ( 3.831 0.000 -0.335) 3.845 8.757 ( -6.402 0.000 2.049) 6.722 8.779 ( 5.929 0.000 1.627) 6.148 9.012 ( -1.564 0.000 0.150) 1.571 9.049 ( -5.593 0.000 -2.562) 6.152 9.574 ( 5.804 0.000 1.481) 5.990 9.731 ( 3.634 0.000 -0.924) 3.749 9.732 ( -0.172 0.000 -0.013) 0.173 9.794 ( -1.462 0.000 -1.470) 2.073 9.823 ( 5.767 0.000 -0.114) 5.768 9.970 ( 1.720 0.000 -0.975) 1.977 10.032 ( -3.373 0.000 -0.242) 3.382 10.668 ( 9.477 0.000 -4.898) 10.668 11.128 ( 3.145 0.000 3.423) 4.649 11.174 ( -2.085 0.000 1.558) 2.603 11.417 ( 0.251 0.000 -2.453) 2.466 13.815 ( 1.642 0.000 -0.526) 1.724 13.838 ( -0.608 0.000 0.205) 0.641 13.861 ( -0.216 0.000 -0.062) 0.225 13.867 ( -0.933 0.000 0.341) 0.993 15.112 ( -2.742 0.000 -1.363) 3.062 15.187 ( -3.706 0.000 -0.354) 3.723 15.676 ( 2.186 0.000 1.656) 2.743 15.700 ( -0.905 0.000 1.456) 1.714 16.697 ( -0.094 0.000 0.972) 0.976 16.747 ( 1.641 0.000 -6.834) 7.028 16.817 ( 4.311 0.000 0.537) 4.345 17.036 ( -1.221 0.000 1.989) 2.334 21.862 ( 0.181 0.000 0.011) 0.181 21.894 ( 0.227 0.000 -0.102) 0.249 22.330 ( 0.198 0.000 -0.283) 0.345 22.352 ( 0.044 0.000 -0.004) 0.045 22.629 ( 15.757 0.000 0.114) 15.758 22.936 ( 1.173 0.000 -3.980) 4.150 23.147 ( -3.139 0.000 0.913) 3.269 23.397 ( -0.408 0.000 -3.769) 3.791 23.604 ( 7.593 0.000 1.571) 7.753 23.686 ( 8.289 0.000 -15.583) 17.650 24.012 ( -6.254 0.000 4.639) 7.786 24.074 ( -5.539 0.000 -0.773) 5.593 24.558 ( 0.011 0.000 -1.846) 1.847 24.630 ( 1.117 0.000 0.789) 1.367 24.729 ( -0.068 0.000 -2.504) 2.505 24.756 ( -2.140 0.000 1.350) 2.530 25.060 ( 2.826 0.000 -1.602) 3.249 25.123 ( 5.441 0.000 0.873) 5.511 25.449 ( -5.951 0.000 18.332) 19.274 25.693 ( -9.905 0.000 -1.700) 10.050 ======================= Grid point 3 (4/84) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.000 0.000 -0.000) 0.000 1.386 ( 0.000 0.000 -0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.585 ( -0.000 0.000 -0.000) 0.000 1.788 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 -0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.732 ( -0.000 0.000 -0.000) 0.000 2.887 ( 0.000 0.000 -0.000) 0.000 2.944 ( -0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.489 ( -0.000 0.000 -0.000) 0.000 3.683 ( 0.000 0.000 -0.000) 0.000 3.891 ( 0.000 0.000 -0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 -0.000) 0.000 4.255 ( 0.000 0.000 -0.000) 0.000 4.389 ( -0.000 0.000 -0.000) 0.000 4.459 ( 0.000 0.000 -0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.755 ( -0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 4.944 ( -0.000 0.000 -0.000) 0.000 5.086 ( 0.000 0.000 -0.000) 0.000 5.149 ( 0.000 0.000 -0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 -0.000) 0.000 5.575 ( 0.000 0.000 -0.000) 0.000 5.790 ( 0.000 0.000 -0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 -0.000) 0.000 5.942 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 -0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 -0.000) 0.000 6.585 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 -0.000) 0.000 6.734 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 6.756 ( -0.000 0.000 -0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 -0.000) 0.000 7.134 ( 0.000 0.000 -0.000) 0.000 7.512 ( 0.000 0.000 -0.000) 0.000 7.596 ( 0.000 0.000 -0.000) 0.000 7.685 ( 0.000 0.000 0.000) 0.000 7.689 ( 0.000 0.000 -0.000) 0.000 7.727 ( -0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 8.114 ( -0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 -0.000) 0.000 8.614 ( -0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 -0.000) 0.000 8.892 ( -0.000 0.000 -0.000) 0.000 8.939 ( 0.000 0.000 0.000) 0.000 8.998 ( 0.000 0.000 -0.000) 0.000 9.655 ( -0.000 0.000 -0.000) 0.000 9.722 ( 0.000 0.000 -0.000) 0.000 9.764 ( 0.000 0.000 0.000) 0.000 9.766 ( 0.000 0.000 0.000) 0.000 9.939 ( -0.000 0.000 -0.000) 0.000 9.946 ( 0.000 0.000 0.000) 0.000 9.988 ( 0.000 0.000 0.000) 0.000 10.745 ( 0.000 0.000 0.000) 0.000 11.154 ( 0.000 0.000 0.000) 0.000 11.174 ( 0.000 0.000 -0.000) 0.000 11.414 ( 0.000 0.000 0.000) 0.000 13.832 ( 0.000 0.000 -0.000) 0.000 13.841 ( -0.000 0.000 0.000) 0.000 13.849 ( 0.000 0.000 -0.000) 0.000 13.859 ( 0.000 0.000 0.000) 0.000 15.080 ( 0.000 0.000 0.000) 0.000 15.147 ( 0.000 0.000 0.000) 0.000 15.695 ( 0.000 0.000 -0.000) 0.000 15.703 ( 0.000 0.000 -0.000) 0.000 16.698 ( 0.000 0.000 0.000) 0.000 16.747 ( 0.000 0.000 -0.000) 0.000 16.865 ( 0.000 0.000 -0.000) 0.000 17.025 ( 0.000 0.000 0.000) 0.000 21.864 ( 0.000 0.000 -0.000) 0.000 21.896 ( 0.000 0.000 -0.000) 0.000 22.329 ( 0.000 0.000 -0.000) 0.000 22.352 ( 0.000 0.000 -0.000) 0.000 22.809 ( 0.000 0.000 -0.000) 0.000 22.938 ( 0.000 0.000 -0.000) 0.000 23.107 ( 0.000 0.000 0.000) 0.000 23.384 ( 0.000 0.000 -0.000) 0.000 23.737 ( 0.000 0.000 -0.000) 0.000 23.744 ( 0.000 0.000 0.000) 0.000 23.948 ( 0.000 0.000 -0.000) 0.000 23.972 ( 0.000 0.000 0.000) 0.000 24.554 ( 0.000 0.000 0.000) 0.000 24.643 ( 0.000 0.000 0.000) 0.000 24.722 ( 0.000 0.000 0.000) 0.000 24.732 ( 0.000 0.000 0.000) 0.000 25.088 ( 0.000 0.000 0.000) 0.000 25.200 ( 0.000 0.000 0.000) 0.000 25.430 ( 0.000 0.000 -0.000) 0.000 25.565 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/84) ======================= q-point: ( 0.00 0.10 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 23.104 0.000) 23.104 0.567 ( 0.000 27.896 0.000) 27.896 0.820 ( 0.000 39.122 0.000) 39.122 1.475 ( 0.000 14.501 0.000) 14.501 1.642 ( 0.000 12.647 0.000) 12.647 2.315 ( 0.000 -7.424 0.000) 7.424 2.508 ( 0.000 6.501 0.000) 6.501 2.537 ( 0.000 2.289 0.000) 2.289 2.729 ( 0.000 1.373 0.000) 1.373 2.775 ( 0.000 2.859 0.000) 2.859 2.981 ( 0.000 0.920 0.000) 0.920 3.220 ( 0.000 1.394 0.000) 1.394 3.278 ( 0.000 8.858 0.000) 8.858 3.433 ( 0.000 5.085 0.000) 5.085 3.514 ( 0.000 8.863 0.000) 8.863 3.750 ( 0.000 1.672 0.000) 1.672 4.018 ( 0.000 -2.470 0.000) 2.470 4.053 ( 0.000 1.478 0.000) 1.478 4.120 ( 0.000 3.297 0.000) 3.297 4.309 ( 0.000 -13.009 0.000) 13.009 4.412 ( 0.000 -12.186 0.000) 12.186 4.693 ( 0.000 -10.442 0.000) 10.442 4.732 ( 0.000 -14.612 0.000) 14.612 4.784 ( 0.000 -1.974 0.000) 1.974 4.834 ( 0.000 -8.254 0.000) 8.254 5.017 ( 0.000 -0.527 0.000) 0.527 5.096 ( 0.000 -8.036 0.000) 8.036 5.215 ( 0.000 0.824 0.000) 0.824 5.319 ( 0.000 -4.535 0.000) 4.535 5.343 ( 0.000 -10.840 0.000) 10.840 5.455 ( 0.000 -2.029 0.000) 2.029 5.596 ( 0.000 2.256 0.000) 2.256 5.628 ( 0.000 -2.684 0.000) 2.684 5.706 ( 0.000 -2.060 0.000) 2.060 5.721 ( 0.000 -1.450 0.000) 1.450 5.767 ( 0.000 -4.936 0.000) 4.936 5.905 ( 0.000 -0.032 0.000) 0.032 6.032 ( 0.000 4.138 0.000) 4.138 6.098 ( 0.000 -0.497 0.000) 0.497 6.228 ( 0.000 -3.735 0.000) 3.735 6.273 ( 0.000 6.547 0.000) 6.547 6.356 ( 0.000 4.497 0.000) 4.497 6.420 ( 0.000 -0.271 0.000) 0.271 6.462 ( 0.000 6.364 0.000) 6.364 6.571 ( 0.000 6.326 0.000) 6.326 6.664 ( 0.000 0.952 0.000) 0.952 6.679 ( 0.000 0.654 0.000) 0.654 6.924 ( 0.000 0.997 0.000) 0.997 6.977 ( 0.000 0.458 0.000) 0.458 6.998 ( 0.000 -2.759 0.000) 2.759 7.237 ( 0.000 -3.393 0.000) 3.393 7.268 ( 0.000 4.151 0.000) 4.151 7.479 ( 0.000 2.036 0.000) 2.036 7.560 ( 0.000 -9.226 0.000) 9.226 7.618 ( 0.000 4.684 0.000) 4.684 7.671 ( 0.000 5.975 0.000) 5.975 8.147 ( 0.000 3.696 0.000) 3.696 8.323 ( 0.000 2.801 0.000) 2.801 8.397 ( 0.000 5.956 0.000) 5.956 8.636 ( 0.000 0.724 0.000) 0.724 8.797 ( 0.000 -1.758 0.000) 1.758 8.876 ( 0.000 0.106 0.000) 0.106 9.174 ( 0.000 3.828 0.000) 3.828 9.209 ( 0.000 1.130 0.000) 1.130 9.296 ( 0.000 -1.609 0.000) 1.609 9.377 ( 0.000 -2.836 0.000) 2.836 9.514 ( 0.000 -3.414 0.000) 3.414 9.736 ( 0.000 -0.170 0.000) 0.170 9.770 ( 0.000 -7.532 0.000) 7.532 9.903 ( 0.000 3.651 0.000) 3.651 9.904 ( 0.000 0.081 0.000) 0.081 9.947 ( 0.000 2.861 0.000) 2.861 10.110 ( 0.000 -4.272 0.000) 4.272 10.365 ( 0.000 0.370 0.000) 0.370 11.001 ( 0.000 -2.762 0.000) 2.762 11.218 ( 0.000 -2.956 0.000) 2.956 13.875 ( 0.000 8.897 0.000) 8.897 13.916 ( 0.000 9.988 0.000) 9.988 14.124 ( 0.000 17.903 0.000) 17.903 15.023 ( 0.000 4.388 0.000) 4.388 15.205 ( 0.000 -2.375 0.000) 2.375 15.297 ( 0.000 -2.722 0.000) 2.722 15.603 ( 0.000 3.398 0.000) 3.398 15.768 ( 0.000 2.564 0.000) 2.564 16.525 ( 0.000 -0.076 0.000) 0.076 16.636 ( 0.000 -0.599 0.000) 0.599 16.716 ( 0.000 1.311 0.000) 1.311 17.048 ( 0.000 0.148 0.000) 0.148 21.908 ( 0.000 1.692 0.000) 1.692 22.020 ( 0.000 -0.591 0.000) 0.591 22.083 ( 0.000 -1.050 0.000) 1.050 22.096 ( 0.000 -1.179 0.000) 1.179 22.455 ( 0.000 9.512 0.000) 9.512 22.991 ( 0.000 0.974 0.000) 0.974 23.156 ( 0.000 2.010 0.000) 2.010 23.453 ( 0.000 -0.493 0.000) 0.493 23.500 ( 0.000 -0.577 0.000) 0.577 23.744 ( 0.000 -0.768 0.000) 0.768 24.072 ( 0.000 -6.546 0.000) 6.546 24.159 ( 0.000 -1.296 0.000) 1.296 24.354 ( 0.000 4.723 0.000) 4.723 24.686 ( 0.000 -1.878 0.000) 1.878 24.729 ( 0.000 -1.540 0.000) 1.540 24.774 ( 0.000 -0.873 0.000) 0.873 25.012 ( 0.000 2.214 0.000) 2.214 25.115 ( 0.000 0.113 0.000) 0.113 25.166 ( 0.000 0.039 0.000) 0.039 25.877 ( 0.000 -9.232 0.000) 9.232 ======================= Grid point 8 (6/84) ======================= q-point: ( 0.17 0.10 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 14.331 18.142 3.526) 23.387 0.847 ( 22.134 17.227 3.277) 28.239 1.264 ( 34.804 22.189 6.596) 41.799 1.577 ( 11.434 8.692 -1.638) 14.456 1.780 ( 11.444 15.896 -0.240) 19.589 2.154 ( -12.781 -1.789 -1.317) 12.972 2.314 ( -16.902 6.509 -0.555) 18.120 2.435 ( -7.677 7.322 -1.710) 10.746 2.670 ( -6.499 0.880 1.862) 6.817 2.756 ( -3.822 6.979 1.681) 8.132 3.066 ( 7.924 -7.207 0.014) 10.711 3.212 ( -2.995 -1.298 0.601) 3.319 3.275 ( -0.384 1.235 -2.351) 2.684 3.402 ( 1.696 1.485 -6.137) 6.538 3.604 ( 4.107 3.823 -6.956) 8.936 3.807 ( 7.240 6.727 1.588) 10.010 3.908 ( -4.643 1.118 3.491) 5.916 3.967 ( -9.554 -0.453 2.267) 9.830 4.200 ( -0.467 -8.481 -1.587) 8.641 4.335 ( 1.348 -3.700 0.988) 4.060 4.358 ( 5.124 -4.907 0.875) 7.148 4.559 ( -8.585 -8.924 -1.082) 12.430 4.716 ( -4.168 2.408 3.522) 5.965 4.800 ( 4.683 -12.951 -0.632) 13.786 4.930 ( 2.433 -0.119 0.383) 2.465 4.999 ( -2.218 -5.773 1.358) 6.332 5.105 ( 0.089 -8.590 2.633) 8.985 5.273 ( -2.079 -1.105 -2.314) 3.301 5.296 ( -0.241 1.080 -1.150) 1.596 5.345 ( -1.342 -6.360 -2.385) 6.924 5.423 ( -4.233 -6.340 2.411) 7.996 5.442 ( -6.868 1.386 -1.983) 7.281 5.584 ( -0.633 -4.088 2.122) 4.649 5.629 ( -5.327 -5.383 -3.111) 8.188 5.772 ( 1.864 -1.674 1.946) 3.172 5.806 ( 6.840 -0.643 -0.565) 6.893 5.940 ( 3.159 -0.522 -1.401) 3.495 6.011 ( -0.232 1.312 -2.067) 2.459 6.089 ( -4.804 2.286 -1.554) 5.542 6.193 ( 0.925 3.562 0.883) 3.785 6.240 ( -2.145 1.832 -0.316) 2.838 6.291 ( -7.813 4.756 -1.725) 9.308 6.452 ( 1.467 1.208 1.638) 2.509 6.514 ( 8.877 0.616 0.969) 8.951 6.590 ( 0.450 4.110 0.442) 4.158 6.656 ( 0.064 -0.204 0.636) 0.671 6.798 ( 3.829 1.388 1.185) 4.242 6.838 ( -1.065 -0.169 2.082) 2.345 6.967 ( -0.215 -2.961 -3.437) 4.541 7.069 ( -4.780 -0.425 -0.678) 4.846 7.156 ( 7.979 -1.027 -1.591) 8.200 7.343 ( -0.185 1.760 1.324) 2.210 7.405 ( -7.214 -9.071 -4.775) 12.535 7.627 ( 4.749 7.125 0.287) 8.568 7.686 ( 7.255 1.543 7.180) 10.323 7.775 ( 8.858 5.499 -0.428) 10.435 8.142 ( -5.335 -2.380 2.155) 6.227 8.238 ( -10.726 4.748 1.765) 11.862 8.334 ( -4.695 9.996 4.622) 11.972 8.609 ( -2.333 -1.363 -8.860) 9.262 8.714 ( -12.339 10.073 -2.304) 16.094 8.739 ( -8.230 9.250 1.909) 12.527 8.877 ( -2.505 1.809 2.345) 3.879 9.108 ( -6.605 3.454 2.814) 7.967 9.175 ( -3.256 1.599 -2.988) 4.700 9.380 ( 2.464 -3.797 0.229) 4.532 9.544 ( 6.082 -7.658 0.201) 9.782 9.678 ( -1.381 -5.061 -2.293) 5.725 9.774 ( 1.176 -0.111 0.148) 1.191 9.848 ( -1.556 1.103 -2.629) 3.248 9.963 ( 1.312 2.747 0.280) 3.057 10.047 ( -0.155 -2.910 -1.090) 3.112 10.383 ( 18.470 -2.235 -2.684) 18.797 10.881 ( 20.167 -21.513 6.149) 30.122 11.026 ( 1.857 -2.876 3.068) 4.597 11.240 ( 3.660 -4.373 -3.901) 6.909 13.887 ( 1.206 9.130 0.033) 9.209 13.921 ( 0.579 10.553 -0.309) 10.573 14.106 ( -1.770 17.356 0.405) 17.451 14.480 ( -26.306 30.486 -3.044) 40.382 15.173 ( -2.656 -1.245 -0.960) 3.087 15.275 ( -3.776 -0.258 -0.261) 3.794 15.607 ( 1.817 0.815 0.221) 2.004 15.756 ( -1.073 3.110 2.366) 4.053 16.653 ( 5.613 -4.098 -3.199) 7.650 16.705 ( 5.743 -1.657 -2.319) 6.411 16.718 ( 0.984 1.022 -2.407) 2.794 17.047 ( -0.562 -0.002 1.482) 1.585 21.883 ( -2.004 1.373 0.790) 2.555 21.912 ( -1.131 1.838 -0.400) 2.195 22.188 ( 6.731 -3.777 -0.889) 7.770 22.256 ( 5.367 -5.983 -0.302) 8.043 22.513 ( 6.883 11.055 0.669) 13.040 22.968 ( 0.326 2.395 -6.007) 6.475 23.169 ( 0.178 -0.281 -1.088) 1.138 23.453 ( -2.906 0.173 -3.351) 4.439 23.484 ( 2.740 -0.644 1.036) 2.999 23.664 ( 5.143 3.920 -23.555) 24.426 24.059 ( -4.151 -5.144 4.596) 8.051 24.141 ( -2.099 -1.171 0.254) 2.417 24.466 ( 4.211 -2.097 3.117) 5.644 24.670 ( -0.820 0.612 -0.561) 1.167 24.727 ( 0.252 -1.485 -2.076) 2.564 24.777 ( -0.278 -0.643 1.082) 1.289 25.019 ( 2.083 1.575 -2.475) 3.598 25.051 ( 1.286 1.355 -1.120) 2.178 25.350 ( -0.966 -6.902 28.298) 29.144 25.805 ( -6.689 -8.110 -1.006) 10.561 ======================= Grid point 9 (7/84) ======================= q-point: ( 0.33 0.10 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 19.263 12.052 1.754) 22.790 1.307 ( 21.838 15.575 1.888) 26.890 1.829 ( 14.981 5.233 -1.900) 15.982 1.834 ( -15.896 6.679 3.336) 17.562 1.915 ( -1.919 7.995 -4.213) 9.239 2.011 ( 14.838 12.102 0.406) 19.152 2.062 ( 5.595 12.242 1.255) 13.518 2.273 ( -3.283 7.409 -2.844) 8.588 2.576 ( -1.684 0.180 4.422) 4.735 2.665 ( -3.875 5.058 3.299) 7.175 2.958 ( -16.486 -6.083 -3.242) 17.869 3.141 ( -8.835 -4.078 5.117) 10.994 3.308 ( 4.106 -5.330 -5.349) 8.595 3.448 ( 6.137 -3.938 -4.988) 8.834 3.637 ( -0.210 -3.101 -3.405) 4.611 3.754 ( -5.446 3.883 5.019) 8.362 3.915 ( 7.542 -7.967 1.257) 11.043 4.081 ( 5.879 6.218 0.313) 8.563 4.158 ( 5.407 -3.647 -1.268) 6.644 4.342 ( 0.124 -4.635 2.688) 5.360 4.380 ( -4.604 -7.302 -2.380) 8.955 4.590 ( 3.084 2.825 0.587) 4.223 4.710 ( 7.167 4.475 1.506) 8.583 4.819 ( -10.156 7.617 -1.303) 12.762 4.860 ( -3.670 -10.294 -4.303) 11.745 4.922 ( -4.445 -2.134 1.822) 5.256 4.988 ( -12.414 -2.342 7.442) 14.663 5.159 ( -6.510 0.511 -7.633) 10.045 5.182 ( -4.190 -6.346 0.020) 7.604 5.290 ( 0.463 -4.388 -2.880) 5.269 5.354 ( -0.842 -4.871 1.541) 5.178 5.488 ( -0.013 -5.814 -1.074) 5.912 5.567 ( -0.299 0.112 2.955) 2.973 5.692 ( 9.352 -8.302 0.936) 12.540 5.770 ( -1.468 -2.053 -2.246) 3.378 5.922 ( 2.934 0.945 -1.699) 3.520 5.953 ( -2.279 -4.201 -2.608) 5.445 5.980 ( 0.037 1.986 -0.316) 2.011 6.029 ( -0.429 2.513 0.248) 2.561 6.117 ( -3.053 1.691 0.596) 3.541 6.236 ( 1.549 2.170 3.980) 4.790 6.320 ( 5.790 1.598 2.142) 6.377 6.503 ( 1.577 -2.053 1.978) 3.258 6.578 ( -0.673 3.167 2.577) 4.138 6.658 ( 0.076 1.671 1.305) 2.121 6.717 ( 8.550 -2.438 -0.097) 8.891 6.779 ( -2.144 -0.498 0.203) 2.211 6.803 ( -2.432 4.895 -3.453) 6.465 6.985 ( 1.274 -4.542 -3.815) 6.067 7.046 ( -2.509 -3.190 -0.014) 4.058 7.219 ( -2.746 -1.637 0.267) 3.208 7.325 ( 6.519 -1.548 -2.107) 7.024 7.345 ( 1.447 -5.755 1.365) 6.089 7.689 ( 0.593 0.865 0.417) 1.129 7.845 ( -8.127 -0.068 1.408) 8.248 7.885 ( 4.204 6.761 0.767) 7.998 7.961 ( -6.531 1.819 1.993) 7.066 8.073 ( 3.851 8.143 0.438) 9.018 8.287 ( -4.739 10.515 4.980) 12.563 8.426 ( -7.953 5.967 -9.265) 13.590 8.617 ( 1.471 6.811 -1.671) 7.166 8.746 ( -0.481 0.108 0.594) 0.772 8.823 ( -1.562 3.663 4.671) 6.138 8.999 ( -5.100 -0.026 -0.348) 5.112 9.123 ( -1.384 5.417 -0.270) 5.598 9.418 ( 1.783 -10.759 -0.427) 10.914 9.636 ( 2.076 -9.078 0.686) 9.338 9.693 ( 2.428 -4.552 -0.804) 5.221 9.784 ( 0.314 -4.090 -1.806) 4.482 9.858 ( 2.935 4.510 0.340) 5.391 9.980 ( -0.382 2.098 0.428) 2.175 10.040 ( 0.435 0.200 -1.276) 1.363 10.645 ( 9.225 -2.260 -4.228) 10.396 11.058 ( 0.970 -10.248 3.068) 10.741 11.096 ( 3.019 -3.258 3.143) 5.441 11.318 ( 4.184 -6.716 -2.745) 8.375 13.920 ( 1.925 10.096 0.301) 10.282 13.939 ( 1.389 11.758 -0.622) 11.856 14.066 ( -2.180 16.126 0.620) 16.284 14.150 ( -8.928 22.546 -1.083) 24.274 15.114 ( -2.252 0.375 -1.019) 2.500 15.195 ( -3.295 0.896 -0.475) 3.448 15.641 ( 0.920 -0.926 0.710) 1.486 15.762 ( 0.442 3.848 1.658) 4.214 16.704 ( 0.294 -0.324 2.518) 2.556 16.723 ( 2.036 -1.318 -6.782) 7.203 16.803 ( 3.854 -1.634 0.354) 4.201 17.037 ( -1.062 -0.104 1.555) 1.886 21.871 ( 0.070 0.801 0.237) 0.839 21.907 ( 0.161 1.119 -0.095) 1.135 22.263 ( 1.413 -4.778 -0.597) 5.018 22.308 ( 0.956 -4.131 0.117) 4.242 22.736 ( 12.598 8.667 0.727) 15.308 22.958 ( 0.719 2.046 -3.141) 3.817 23.140 ( -2.630 -0.164 0.080) 2.636 23.395 ( -1.219 -0.275 -2.530) 2.821 23.582 ( 6.361 -1.736 0.650) 6.626 23.710 ( 6.751 1.482 -12.476) 14.263 23.979 ( -5.315 -2.970 4.547) 7.599 24.071 ( -5.022 -0.605 -0.318) 5.068 24.517 ( 1.191 -2.046 -0.473) 2.414 24.653 ( -1.043 0.328 0.206) 1.112 24.725 ( 0.399 -0.549 -1.329) 1.492 24.765 ( -1.161 0.691 0.492) 1.438 25.075 ( 3.004 1.344 -1.762) 3.734 25.110 ( 4.744 -1.080 1.216) 5.015 25.383 ( -4.193 -5.243 12.845) 14.493 25.640 ( -8.092 -5.112 -0.749) 9.601 ======================= Grid point 10 (8/84) ======================= q-point: (-0.50 0.10 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 11.591 -0.000) 11.591 1.446 ( -0.000 6.568 -0.000) 6.568 1.672 ( -0.000 13.100 -0.000) 13.100 1.775 ( 0.000 16.329 0.000) 16.329 1.879 ( 0.000 10.154 0.000) 10.154 2.160 ( -0.000 14.191 0.000) 14.191 2.197 ( 0.000 5.939 -0.000) 5.939 2.319 ( -0.000 2.902 0.000) 2.902 2.604 ( -0.000 -3.093 -0.000) 3.093 2.668 ( 0.000 -5.300 0.000) 5.300 2.852 ( -0.000 -2.930 0.000) 2.930 2.888 ( 0.000 -5.178 -0.000) 5.178 3.332 ( -0.000 -2.364 -0.000) 2.364 3.504 ( 0.000 -0.086 -0.000) 0.086 3.627 ( 0.000 -8.680 -0.000) 8.680 3.718 ( -0.000 3.059 0.000) 3.059 4.013 ( -0.000 -11.564 0.000) 11.564 4.193 ( 0.000 5.238 0.000) 5.238 4.246 ( -0.000 -4.643 -0.000) 4.643 4.332 ( 0.000 -2.782 -0.000) 2.782 4.381 ( -0.000 -6.995 0.000) 6.995 4.568 ( -0.000 6.670 0.000) 6.670 4.607 ( 0.000 6.158 0.000) 6.158 4.721 ( 0.000 1.699 0.000) 1.699 4.850 ( 0.000 4.260 -0.000) 4.260 4.895 ( -0.000 -8.611 0.000) 8.611 4.985 ( -0.000 1.782 -0.000) 1.782 4.995 ( 0.000 -4.615 0.000) 4.615 5.108 ( -0.000 -2.525 -0.000) 2.525 5.314 ( 0.000 -3.404 -0.000) 3.404 5.337 ( 0.000 -9.076 -0.000) 9.076 5.495 ( 0.000 -5.412 0.000) 5.412 5.565 ( 0.000 4.215 0.000) 4.215 5.738 ( -0.000 -4.293 0.000) 4.293 5.818 ( 0.000 0.609 0.000) 0.609 5.890 ( 0.000 -1.168 -0.000) 1.168 5.933 ( -0.000 -4.848 -0.000) 4.848 6.009 ( -0.000 3.852 0.000) 3.852 6.046 ( -0.000 -1.896 0.000) 1.896 6.088 ( 0.000 -0.430 -0.000) 0.430 6.278 ( 0.000 -1.361 -0.000) 1.361 6.409 ( 0.000 -0.665 -0.000) 0.665 6.498 ( 0.000 -0.925 0.000) 0.925 6.602 ( 0.000 1.441 0.000) 1.441 6.685 ( 0.000 1.086 0.000) 1.086 6.715 ( -0.000 -0.047 -0.000) 0.047 6.770 ( 0.000 0.414 -0.000) 0.414 6.810 ( 0.000 5.352 0.000) 5.352 6.947 ( -0.000 -4.873 0.000) 4.873 7.040 ( 0.000 -3.096 -0.000) 3.096 7.175 ( 0.000 1.612 -0.000) 1.612 7.387 ( 0.000 -8.525 0.000) 8.525 7.479 ( -0.000 -6.449 0.000) 6.449 7.588 ( 0.000 -5.927 -0.000) 5.927 7.760 ( -0.000 1.323 0.000) 1.323 7.779 ( 0.000 2.582 -0.000) 2.582 8.083 ( 0.000 13.866 0.000) 13.866 8.184 ( -0.000 11.445 -0.000) 11.445 8.187 ( 0.000 5.671 0.000) 5.671 8.287 ( 0.000 8.854 0.000) 8.854 8.660 ( 0.000 3.937 -0.000) 3.937 8.693 ( -0.000 3.479 0.000) 3.479 8.881 ( 0.000 -1.945 -0.000) 1.945 8.907 ( 0.000 1.442 -0.000) 1.442 9.111 ( 0.000 7.603 -0.000) 7.603 9.438 ( 0.000 -14.119 0.000) 14.119 9.652 ( 0.000 -7.405 0.000) 7.405 9.719 ( -0.000 -4.047 0.000) 4.047 9.782 ( 0.000 -7.850 -0.000) 7.850 9.915 ( -0.000 5.244 -0.000) 5.244 9.955 ( 0.000 1.722 0.000) 1.722 10.047 ( 0.000 1.885 -0.000) 1.885 10.722 ( 0.000 -2.353 -0.000) 2.353 11.065 ( 0.000 -7.702 0.000) 7.702 11.140 ( 0.000 -3.322 0.000) 3.322 11.353 ( 0.000 -5.506 -0.000) 5.506 13.951 ( -0.000 11.073 -0.000) 11.073 13.955 ( 0.000 12.810 0.000) 12.810 14.044 ( -0.000 16.902 -0.000) 16.902 14.054 ( 0.000 15.823 0.000) 15.823 15.088 ( 0.000 0.964 -0.000) 0.964 15.159 ( 0.000 1.314 0.000) 1.314 15.651 ( 0.000 -1.193 -0.000) 1.193 15.773 ( 0.000 3.951 0.000) 3.951 16.710 ( 0.000 0.912 -0.000) 0.912 16.729 ( -0.000 -1.889 0.000) 1.889 16.845 ( 0.000 -2.083 0.000) 2.083 17.028 ( 0.000 0.030 -0.000) 0.030 21.874 ( 0.000 0.867 0.000) 0.867 21.909 ( 0.000 1.167 -0.000) 1.167 22.271 ( -0.000 -4.587 -0.000) 4.587 22.316 ( 0.000 -3.682 -0.000) 3.682 22.888 ( -0.000 6.371 -0.000) 6.371 22.963 ( 0.000 2.888 0.000) 2.888 23.096 ( 0.000 -0.858 0.000) 0.858 23.378 ( 0.000 -0.606 0.000) 0.606 23.673 ( 0.000 -3.732 0.000) 3.732 23.776 ( 0.000 0.626 0.000) 0.626 23.925 ( 0.000 -1.691 -0.000) 1.691 23.986 ( -0.000 0.570 -0.000) 0.570 24.527 ( 0.000 -1.878 0.000) 1.878 24.638 ( 0.000 -0.547 -0.000) 0.547 24.728 ( 0.000 -0.539 0.000) 0.539 24.751 ( 0.000 2.015 -0.000) 2.015 25.102 ( 0.000 1.206 0.000) 1.206 25.191 ( 0.000 -0.794 0.000) 0.794 25.346 ( 0.000 -6.807 0.000) 6.807 25.546 ( 0.000 -2.436 0.000) 2.436 ======================= Grid point 14 (9/84) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 24.170 0.000) 24.170 1.125 ( 0.000 27.188 0.000) 27.188 1.539 ( 0.000 30.722 0.000) 30.722 1.841 ( 0.000 20.372 0.000) 20.372 1.934 ( 0.000 15.453 0.000) 15.453 2.147 ( 0.000 -6.410 0.000) 6.410 2.654 ( 0.000 7.417 0.000) 7.417 2.709 ( 0.000 7.054 0.000) 7.054 2.773 ( 0.000 9.166 0.000) 9.166 2.874 ( 0.000 6.692 0.000) 6.692 3.086 ( 0.000 7.939 0.000) 7.939 3.233 ( 0.000 0.782 0.000) 0.782 3.487 ( 0.000 10.274 0.000) 10.274 3.572 ( 0.000 8.010 0.000) 8.010 3.647 ( 0.000 0.238 0.000) 0.238 3.666 ( 0.000 -8.520 0.000) 8.520 3.974 ( 0.000 -0.599 0.000) 0.599 4.048 ( 0.000 -3.032 0.000) 3.032 4.087 ( 0.000 -8.624 0.000) 8.624 4.148 ( 0.000 -8.958 0.000) 8.958 4.205 ( 0.000 0.165 0.000) 0.165 4.414 ( 0.000 -15.018 0.000) 15.018 4.539 ( 0.000 -17.536 0.000) 17.536 4.553 ( 0.000 -1.401 0.000) 1.401 4.685 ( 0.000 -7.171 0.000) 7.171 4.907 ( 0.000 -9.646 0.000) 9.646 4.922 ( 0.000 -11.713 0.000) 11.713 5.124 ( 0.000 -4.755 0.000) 4.755 5.213 ( 0.000 -5.509 0.000) 5.509 5.231 ( 0.000 -1.469 0.000) 1.469 5.333 ( 0.000 -7.786 0.000) 7.786 5.578 ( 0.000 -8.717 0.000) 8.717 5.627 ( 0.000 2.356 0.000) 2.356 5.650 ( 0.000 -2.356 0.000) 2.356 5.691 ( 0.000 -0.976 0.000) 0.976 5.701 ( 0.000 0.962 0.000) 0.962 5.937 ( 0.000 2.972 0.000) 2.972 6.105 ( 0.000 0.228 0.000) 0.228 6.112 ( 0.000 3.541 0.000) 3.541 6.161 ( 0.000 -2.485 0.000) 2.485 6.354 ( 0.000 -5.240 0.000) 5.240 6.401 ( 0.000 -0.337 0.000) 0.337 6.418 ( 0.000 5.660 0.000) 5.660 6.582 ( 0.000 5.124 0.000) 5.124 6.637 ( 0.000 0.049 0.000) 0.049 6.724 ( 0.000 2.646 0.000) 2.646 6.727 ( 0.000 3.304 0.000) 3.304 6.920 ( 0.000 0.130 0.000) 0.130 6.930 ( 0.000 -2.302 0.000) 2.302 7.037 ( 0.000 4.505 0.000) 4.505 7.092 ( 0.000 -8.652 0.000) 8.652 7.317 ( 0.000 0.076 0.000) 0.076 7.513 ( 0.000 3.868 0.000) 3.868 7.561 ( 0.000 5.997 0.000) 5.997 7.745 ( 0.000 6.694 0.000) 6.694 7.819 ( 0.000 7.710 0.000) 7.710 8.249 ( 0.000 5.870 0.000) 5.870 8.318 ( 0.000 -1.999 0.000) 1.999 8.550 ( 0.000 7.370 0.000) 7.370 8.657 ( 0.000 1.470 0.000) 1.470 8.696 ( 0.000 -8.105 0.000) 8.105 8.878 ( 0.000 0.266 0.000) 0.266 9.144 ( 0.000 -1.940 0.000) 1.940 9.279 ( 0.000 -0.738 0.000) 0.738 9.288 ( 0.000 -6.887 0.000) 6.887 9.377 ( 0.000 10.101 0.000) 10.101 9.439 ( 0.000 -2.744 0.000) 2.744 9.597 ( 0.000 -7.850 0.000) 7.850 9.707 ( 0.000 -2.472 0.000) 2.472 9.855 ( 0.000 -4.939 0.000) 4.939 9.989 ( 0.000 4.522 0.000) 4.522 10.042 ( 0.000 -1.511 0.000) 1.511 10.047 ( 0.000 6.714 0.000) 6.714 10.369 ( 0.000 0.045 0.000) 0.045 10.919 ( 0.000 -5.323 0.000) 5.323 11.131 ( 0.000 -5.563 0.000) 5.563 14.128 ( 0.000 15.096 0.000) 15.096 14.203 ( 0.000 16.651 0.000) 16.651 14.554 ( 0.000 23.672 0.000) 23.672 15.143 ( 0.000 -3.619 0.000) 3.619 15.152 ( 0.000 8.393 0.000) 8.393 15.223 ( 0.000 -4.394 0.000) 4.394 15.712 ( 0.000 7.576 0.000) 7.576 15.855 ( 0.000 6.275 0.000) 6.275 16.505 ( 0.000 -2.317 0.000) 2.317 16.600 ( 0.000 -3.314 0.000) 3.314 16.739 ( 0.000 0.566 0.000) 0.566 17.036 ( 0.000 -1.796 0.000) 1.796 21.940 ( 0.000 1.208 0.000) 1.208 22.005 ( 0.000 -0.859 0.000) 0.859 22.061 ( 0.000 -1.139 0.000) 1.139 22.064 ( 0.000 -1.853 0.000) 1.853 22.687 ( 0.000 12.033 0.000) 12.033 23.020 ( 0.000 1.805 0.000) 1.805 23.222 ( 0.000 4.661 0.000) 4.661 23.438 ( 0.000 -1.051 0.000) 1.051 23.483 ( 0.000 -1.043 0.000) 1.043 23.725 ( 0.000 -1.075 0.000) 1.075 23.935 ( 0.000 -6.729 0.000) 6.729 24.115 ( 0.000 -3.190 0.000) 3.190 24.442 ( 0.000 3.924 0.000) 3.924 24.646 ( 0.000 -1.859 0.000) 1.859 24.688 ( 0.000 -2.366 0.000) 2.366 24.749 ( 0.000 -1.510 0.000) 1.510 25.062 ( 0.000 2.535 0.000) 2.535 25.117 ( 0.000 0.024 0.000) 0.024 25.166 ( 0.000 -0.107 0.000) 0.107 25.646 ( 0.000 -12.378 0.000) 12.378 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 9.700 22.224 3.037) 24.438 1.173 ( 11.615 16.022 1.999) 19.890 1.771 ( 1.662 11.616 -1.604) 11.843 1.831 ( 21.736 27.506 3.377) 35.219 2.123 ( -0.926 -0.315 -3.097) 3.247 2.174 ( 14.059 21.052 1.535) 25.361 2.496 ( -14.036 10.821 -0.360) 17.727 2.627 ( -7.379 7.502 -2.102) 10.730 2.753 ( -5.477 10.504 1.880) 11.994 2.867 ( 2.997 1.615 -0.641) 3.464 3.056 ( -5.284 8.237 -1.731) 9.938 3.164 ( -9.390 -3.355 -1.345) 10.062 3.334 ( -3.283 0.919 1.173) 3.605 3.483 ( -7.219 5.546 -2.292) 9.388 3.611 ( -1.913 -1.902 -2.136) 3.441 3.688 ( -4.133 -8.220 3.321) 9.781 3.907 ( -8.160 -6.727 0.610) 10.593 4.032 ( 3.993 -0.571 -1.260) 4.226 4.119 ( 3.946 5.247 0.294) 6.572 4.198 ( 2.830 -6.462 0.681) 7.087 4.323 ( 5.024 -2.766 -0.707) 5.778 4.470 ( 4.383 -14.451 0.328) 15.104 4.490 ( 2.033 -0.213 -0.827) 2.205 4.619 ( 3.985 -11.269 0.585) 11.967 4.763 ( 5.609 -7.104 0.540) 9.067 4.942 ( 1.885 -8.569 3.100) 9.305 4.983 ( 2.678 -6.114 -0.570) 6.699 5.067 ( 2.024 -9.446 0.657) 9.683 5.216 ( 1.256 -6.112 -2.129) 6.593 5.243 ( -5.179 -5.777 2.121) 8.043 5.332 ( 0.649 -2.881 -6.242) 6.905 5.447 ( -12.541 -4.588 3.301) 13.756 5.504 ( -9.096 -1.918 -1.501) 9.416 5.609 ( -1.189 3.294 0.368) 3.521 5.716 ( 2.350 -4.012 0.438) 4.670 5.785 ( 4.525 -0.955 1.126) 4.760 5.951 ( 1.076 1.894 -2.281) 3.154 6.062 ( -0.360 3.765 -2.033) 4.294 6.139 ( 0.021 -0.029 2.830) 2.831 6.179 ( 3.090 -1.954 -0.119) 3.658 6.305 ( -2.696 0.880 -0.270) 2.849 6.354 ( -8.003 3.782 -2.365) 9.162 6.504 ( 0.346 2.571 3.141) 4.073 6.524 ( 1.534 0.175 -1.736) 2.323 6.613 ( -0.245 -1.538 2.341) 2.812 6.668 ( 0.185 1.008 0.515) 1.147 6.800 ( -5.253 -0.905 0.941) 5.413 6.875 ( 6.025 1.618 -0.806) 6.290 6.949 ( 1.321 2.063 -0.080) 2.451 7.020 ( -4.766 -4.299 1.461) 6.583 7.138 ( 3.213 -0.527 -1.612) 3.633 7.279 ( -3.659 -0.704 -1.451) 3.999 7.385 ( -2.650 1.815 -2.876) 4.312 7.708 ( -0.587 2.028 2.942) 3.621 7.808 ( 11.498 7.968 2.026) 14.135 7.941 ( 10.245 7.894 -3.056) 13.289 8.119 ( -10.661 0.313 2.096) 10.870 8.288 ( -11.928 0.097 2.388) 12.165 8.494 ( 3.612 5.948 3.046) 7.597 8.612 ( -0.539 1.733 -11.196) 11.342 8.769 ( 1.024 1.626 2.313) 3.007 8.893 ( 1.135 -0.950 2.766) 3.137 8.921 ( -17.205 3.867 1.682) 17.714 9.150 ( -8.801 1.290 2.705) 9.298 9.226 ( -5.095 3.185 -2.967) 6.701 9.336 ( 2.605 -7.920 -0.009) 8.337 9.420 ( -4.228 1.840 -0.378) 4.627 9.557 ( 2.530 -4.137 -0.884) 4.929 9.741 ( -2.203 -3.378 0.323) 4.046 9.868 ( 2.983 0.552 -1.261) 3.285 9.991 ( 1.870 -1.327 -3.095) 3.852 10.050 ( 0.369 5.285 0.469) 5.318 10.331 ( 17.158 -2.614 -0.492) 17.363 10.601 ( 16.030 -8.200 2.955) 18.246 10.942 ( 1.612 -5.422 2.929) 6.370 11.141 ( 1.684 -5.858 -2.418) 6.557 14.147 ( 1.823 15.330 0.199) 15.440 14.215 ( 1.350 16.909 -0.554) 16.972 14.522 ( -3.149 22.549 0.553) 22.774 14.889 ( -17.234 12.275 0.001) 21.159 15.146 ( 0.220 -0.955 -1.978) 2.207 15.274 ( -0.614 1.015 0.731) 1.394 15.679 ( -1.196 6.526 -1.364) 6.773 15.847 ( -0.657 6.116 1.585) 6.352 16.572 ( 4.999 -4.255 -1.659) 6.771 16.651 ( 4.357 -4.061 -0.559) 5.982 16.738 ( -0.084 0.354 -0.132) 0.387 17.031 ( -0.651 -1.964 0.741) 2.198 21.907 ( -2.157 1.037 0.820) 2.530 21.942 ( -1.833 1.067 -0.093) 2.123 22.120 ( 3.881 -3.152 -0.610) 5.037 22.156 ( 4.617 -4.100 -0.441) 6.190 22.750 ( 6.086 11.340 1.349) 12.941 23.013 ( -0.045 2.233 -1.920) 2.946 23.209 ( -0.824 4.101 -1.808) 4.557 23.445 ( -2.974 -0.781 -1.254) 3.321 23.466 ( 2.471 -1.199 1.179) 2.989 23.705 ( 2.519 0.519 -12.766) 13.023 23.936 ( -2.214 -6.341 6.268) 9.187 24.099 ( -1.818 -3.083 0.263) 3.588 24.475 ( 1.879 1.918 1.043) 2.880 24.648 ( -0.150 -1.953 1.170) 2.282 24.689 ( 0.372 -2.117 -0.719) 2.266 24.752 ( 0.069 -1.710 1.182) 2.080 25.060 ( 0.147 1.812 -3.954) 4.352 25.081 ( 1.094 1.807 -0.177) 2.120 25.257 ( 1.739 -2.944 10.623) 11.160 25.600 ( -4.052 -11.002 -1.039) 11.771 ======================= Grid point 16 (11/84) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 15.445 17.646 1.100) 23.476 1.563 ( 22.909 6.921 1.072) 23.956 1.916 ( 12.375 3.614 -1.876) 13.027 2.028 ( -11.526 12.279 2.676) 17.052 2.139 ( -1.058 12.292 -2.928) 12.680 2.350 ( 11.300 17.804 0.152) 21.087 2.374 ( 0.069 19.473 -1.989) 19.574 2.457 ( -5.290 7.073 -2.997) 9.327 2.638 ( -3.991 6.601 4.776) 9.073 2.773 ( -18.768 -5.388 1.940) 19.622 2.870 ( -3.317 9.516 -2.582) 10.403 3.000 ( -12.144 -6.778 4.295) 14.556 3.289 ( 2.144 1.403 -3.958) 4.715 3.403 ( 0.400 0.301 2.813) 2.857 3.598 ( 2.517 1.043 -3.383) 4.344 3.726 ( 2.947 -7.730 1.048) 8.339 3.829 ( 2.823 -2.416 4.142) 5.565 3.973 ( -3.345 -1.976 -3.912) 5.513 4.234 ( 0.561 -5.890 -2.864) 6.573 4.274 ( -3.065 -0.549 -0.816) 3.219 4.314 ( 7.462 2.286 5.280) 9.423 4.550 ( 4.495 -14.537 -2.640) 15.444 4.609 ( 2.876 -6.666 0.940) 7.321 4.703 ( 4.382 -1.974 -1.902) 5.169 4.818 ( -0.879 0.630 2.857) 3.055 4.919 ( -6.235 -1.460 -6.019) 8.789 5.018 ( 2.783 -1.704 1.086) 3.439 5.068 ( -10.939 -3.263 3.164) 11.846 5.107 ( -6.054 -5.287 5.665) 9.833 5.212 ( -3.997 -2.015 -7.269) 8.536 5.239 ( -1.351 -5.396 -2.062) 5.933 5.374 ( 4.761 -7.243 -1.181) 8.748 5.448 ( 6.219 -8.421 5.071) 11.632 5.615 ( 1.222 0.180 1.232) 1.745 5.723 ( 0.622 -1.334 -3.099) 3.431 5.838 ( 1.339 -6.409 -2.175) 6.899 5.949 ( -0.067 1.454 -1.331) 1.973 6.057 ( -2.270 5.345 0.391) 5.820 6.121 ( -6.005 2.948 -0.806) 6.737 6.164 ( -2.552 4.798 2.016) 5.796 6.276 ( 0.011 0.731 2.602) 2.702 6.295 ( 5.455 -2.328 0.589) 5.960 6.472 ( -2.642 -1.166 1.243) 3.144 6.621 ( 6.570 -3.598 -0.436) 7.503 6.648 ( -1.310 -1.692 2.972) 3.662 6.671 ( 3.003 1.761 1.911) 3.971 6.758 ( -0.785 -1.950 1.406) 2.529 6.872 ( -2.307 0.689 -9.393) 9.697 6.966 ( -1.397 2.468 0.519) 2.883 6.996 ( -1.327 -1.369 1.053) 2.178 7.142 ( 3.498 -3.364 4.637) 6.712 7.273 ( -0.501 -1.656 -0.372) 1.770 7.321 ( -1.300 0.634 -2.652) 3.020 7.668 ( -5.728 -2.404 -4.214) 7.506 7.820 ( -10.247 -1.818 2.557) 10.717 7.936 ( -9.495 -0.682 2.389) 9.815 8.113 ( 11.779 9.572 0.612) 15.191 8.262 ( 8.855 9.529 1.258) 13.069 8.505 ( -5.550 6.291 -3.298) 9.014 8.556 ( -1.038 9.271 -4.000) 10.150 8.720 ( -0.068 3.134 -1.715) 3.574 8.790 ( -1.018 3.581 0.194) 3.728 8.915 ( -2.297 3.690 6.731) 8.012 9.001 ( -5.246 -0.472 0.275) 5.274 9.160 ( -2.713 -3.744 4.071) 6.161 9.306 ( -2.620 2.658 -5.008) 6.246 9.419 ( 2.987 -10.401 0.861) 10.856 9.604 ( 1.332 -3.222 0.782) 3.573 9.686 ( -2.104 -3.737 -1.485) 4.539 9.940 ( 3.963 3.314 -0.297) 5.175 10.013 ( 1.372 0.244 -2.967) 3.278 10.061 ( 0.103 2.552 1.328) 2.879 10.578 ( 8.348 -4.237 -2.524) 9.696 10.840 ( 5.713 -9.933 2.713) 11.775 11.002 ( 2.540 -5.991 3.179) 7.242 11.181 ( 3.298 -7.108 -2.611) 8.259 14.199 ( 3.104 15.921 0.391) 16.225 14.253 ( 2.789 17.765 -0.957) 18.008 14.450 ( -3.967 20.234 1.122) 20.650 14.584 ( -12.226 17.974 -0.811) 21.753 15.138 ( -0.322 2.479 -0.572) 2.564 15.237 ( -1.999 3.946 -0.412) 4.442 15.667 ( 0.033 4.060 -0.364) 4.076 15.854 ( 0.457 5.561 1.235) 5.715 16.643 ( 2.561 -4.598 -0.812) 5.325 16.717 ( 1.549 -1.919 -1.974) 3.159 16.747 ( 1.577 -3.033 1.040) 3.574 17.019 ( -0.846 -2.156 0.756) 2.436 21.891 ( 0.004 1.064 0.488) 1.171 21.930 ( 0.153 1.040 -0.060) 1.053 22.167 ( 1.088 -4.521 -0.570) 4.685 22.211 ( 1.305 -5.024 -0.035) 5.190 22.913 ( 7.992 7.522 1.407) 11.064 23.010 ( 0.999 2.823 -1.510) 3.353 23.171 ( -2.460 3.988 -1.358) 4.879 23.385 ( -1.969 -0.701 -1.365) 2.496 23.540 ( 4.163 -2.365 0.799) 4.854 23.725 ( 4.339 -0.058 -8.386) 9.442 23.905 ( -3.010 -4.060 4.832) 6.993 24.042 ( -3.899 -2.394 -0.137) 4.577 24.498 ( 0.469 0.131 -0.461) 0.670 24.637 ( -1.297 -1.486 0.430) 2.019 24.702 ( 0.784 -1.647 -0.264) 1.843 24.762 ( 0.306 -1.377 1.235) 1.875 25.090 ( 3.669 -0.356 -0.037) 3.686 25.112 ( 1.897 1.889 -0.951) 2.841 25.283 ( -3.115 -4.219 4.846) 7.141 25.508 ( -4.025 -7.213 0.213) 8.263 ======================= Grid point 17 (12/84) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.000 12.344 -0.000) 12.344 1.713 ( -0.000 18.656 -0.000) 18.656 1.925 ( -0.000 7.824 -0.000) 7.824 2.122 ( 0.000 16.871 0.000) 16.871 2.183 ( -0.000 12.976 0.000) 12.976 2.226 ( 0.000 -4.003 -0.000) 4.003 2.308 ( 0.000 -1.411 0.000) 1.411 2.412 ( 0.000 5.164 -0.000) 5.164 2.642 ( -0.000 5.510 -0.000) 5.510 2.674 ( -0.000 7.236 0.000) 7.236 2.810 ( -0.000 1.163 0.000) 1.163 2.820 ( 0.000 6.389 -0.000) 6.389 3.318 ( -0.000 1.481 0.000) 1.481 3.422 ( 0.000 -2.636 -0.000) 2.636 3.652 ( 0.000 5.808 -0.000) 5.808 3.759 ( -0.000 -2.520 0.000) 2.520 3.877 ( -0.000 1.448 0.000) 1.448 3.991 ( 0.000 -14.135 0.000) 14.135 4.180 ( -0.000 -1.422 -0.000) 1.422 4.239 ( 0.000 -7.311 -0.000) 7.311 4.448 ( -0.000 1.052 -0.000) 1.052 4.600 ( 0.000 -13.189 -0.000) 13.189 4.610 ( -0.000 -2.783 0.000) 2.783 4.717 ( 0.000 3.028 0.000) 3.028 4.752 ( 0.000 1.686 0.000) 1.686 4.870 ( 0.000 -1.242 -0.000) 1.242 4.926 ( -0.000 -4.159 0.000) 4.159 5.003 ( 0.000 3.422 -0.000) 3.422 5.115 ( 0.000 0.477 -0.000) 0.477 5.141 ( -0.000 -9.744 -0.000) 9.744 5.214 ( -0.000 -5.172 0.000) 5.172 5.398 ( -0.000 -3.748 -0.000) 3.748 5.581 ( -0.000 -5.614 -0.000) 5.614 5.615 ( 0.000 -7.739 0.000) 7.739 5.818 ( 0.000 -0.601 -0.000) 0.601 5.861 ( 0.000 -0.783 0.000) 0.783 5.904 ( -0.000 1.178 -0.000) 1.178 5.986 ( -0.000 -1.963 0.000) 1.963 6.089 ( 0.000 1.822 0.000) 1.822 6.114 ( 0.000 5.444 0.000) 5.444 6.285 ( 0.000 2.211 -0.000) 2.211 6.382 ( 0.000 -1.456 -0.000) 1.456 6.430 ( -0.000 -4.860 0.000) 4.860 6.633 ( 0.000 0.035 0.000) 0.035 6.707 ( -0.000 -1.690 0.000) 1.690 6.709 ( 0.000 1.783 -0.000) 1.783 6.782 ( 0.000 1.289 0.000) 1.289 6.806 ( -0.000 -7.840 -0.000) 7.840 6.933 ( 0.000 4.801 0.000) 4.801 6.994 ( 0.000 -1.085 -0.000) 1.085 7.176 ( 0.000 -1.362 -0.000) 1.362 7.259 ( 0.000 -3.308 0.000) 3.308 7.375 ( -0.000 -3.535 -0.000) 3.535 7.479 ( 0.000 -4.667 0.000) 4.667 7.765 ( 0.000 -0.470 0.000) 0.470 7.824 ( 0.000 1.490 0.000) 1.490 8.302 ( -0.000 5.228 -0.000) 5.228 8.360 ( 0.000 5.970 -0.000) 5.970 8.419 ( 0.000 16.066 0.000) 16.066 8.497 ( 0.000 10.365 0.000) 10.365 8.739 ( 0.000 3.169 -0.000) 3.169 8.776 ( 0.000 3.977 0.000) 3.977 8.894 ( 0.000 3.168 -0.000) 3.168 8.948 ( 0.000 2.115 0.000) 2.115 9.151 ( 0.000 -12.678 -0.000) 12.678 9.265 ( 0.000 5.627 0.000) 5.627 9.455 ( 0.000 -9.037 0.000) 9.037 9.623 ( -0.000 -6.767 -0.000) 6.767 9.655 ( 0.000 -0.929 0.000) 0.929 9.996 ( -0.000 2.581 -0.000) 2.581 10.009 ( 0.000 2.914 0.000) 2.914 10.064 ( 0.000 0.250 -0.000) 0.250 10.651 ( 0.000 -4.592 -0.000) 4.592 10.891 ( 0.000 -8.529 0.000) 8.529 11.041 ( 0.000 -6.440 0.000) 6.440 11.215 ( 0.000 -7.753 -0.000) 7.753 14.244 ( -0.000 16.359 -0.000) 16.359 14.296 ( -0.000 19.178 0.000) 19.178 14.411 ( -0.000 17.483 -0.000) 17.483 14.432 ( 0.000 19.184 0.000) 19.184 15.132 ( 0.000 4.031 -0.000) 4.031 15.214 ( 0.000 4.758 0.000) 4.758 15.668 ( 0.000 3.343 -0.000) 3.343 15.863 ( 0.000 5.276 0.000) 5.276 16.666 ( 0.000 -4.453 -0.000) 4.453 16.720 ( -0.000 -0.263 0.000) 0.263 16.773 ( -0.000 -5.150 0.000) 5.150 17.011 ( 0.000 -2.149 -0.000) 2.149 21.895 ( 0.000 1.123 0.000) 1.123 21.934 ( 0.000 1.085 0.000) 1.085 22.172 ( -0.000 -4.833 -0.000) 4.833 22.221 ( 0.000 -5.191 0.000) 5.191 22.982 ( 0.000 3.115 -0.000) 3.115 23.082 ( -0.000 -0.233 -0.000) 0.233 23.098 ( 0.000 9.413 0.000) 9.413 23.362 ( 0.000 -0.919 -0.000) 0.919 23.595 ( 0.000 -3.976 0.000) 3.976 23.768 ( 0.000 -1.162 0.000) 1.162 23.882 ( 0.000 -2.552 -0.000) 2.552 23.981 ( -0.000 -1.166 -0.000) 1.166 24.501 ( 0.000 -0.537 -0.000) 0.537 24.620 ( 0.000 -1.150 -0.000) 1.150 24.709 ( 0.000 -1.338 0.000) 1.338 24.770 ( 0.000 -0.746 -0.000) 0.746 25.129 ( 0.000 1.231 0.000) 1.231 25.176 ( 0.000 -0.413 0.000) 0.413 25.210 ( 0.000 -5.578 -0.000) 5.578 25.468 ( 0.000 -4.773 0.000) 4.773 ======================= Grid point 21 (13/84) ======================= q-point: ( 0.00 0.30 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 0.000 24.741 0.000) 24.741 1.660 ( 0.000 25.351 0.000) 25.351 2.039 ( 0.000 19.260 0.000) 19.260 2.110 ( 0.000 3.403 0.000) 3.403 2.248 ( 0.000 14.556 0.000) 14.556 2.262 ( 0.000 20.402 0.000) 20.402 2.754 ( 0.000 0.676 0.000) 0.676 2.773 ( 0.000 3.509 0.000) 3.509 3.019 ( 0.000 7.574 0.000) 7.574 3.043 ( 0.000 9.629 0.000) 9.629 3.204 ( 0.000 -4.579 0.000) 4.579 3.283 ( 0.000 10.079 0.000) 10.079 3.463 ( 0.000 -9.378 0.000) 9.378 3.518 ( 0.000 -9.683 0.000) 9.683 3.573 ( 0.000 -3.277 0.000) 3.277 3.796 ( 0.000 12.810 0.000) 12.810 3.900 ( 0.000 -8.955 0.000) 8.955 3.938 ( 0.000 -5.885 0.000) 5.885 3.961 ( 0.000 -12.539 0.000) 12.539 4.065 ( 0.000 6.013 0.000) 6.013 4.150 ( 0.000 -5.974 0.000) 5.974 4.219 ( 0.000 -2.402 0.000) 2.402 4.306 ( 0.000 0.406 0.000) 0.406 4.419 ( 0.000 -8.319 0.000) 8.319 4.660 ( 0.000 -3.204 0.000) 3.204 4.710 ( 0.000 -7.261 0.000) 7.261 4.764 ( 0.000 -0.825 0.000) 0.825 4.990 ( 0.000 -7.631 0.000) 7.631 5.052 ( 0.000 -10.480 0.000) 10.480 5.192 ( 0.000 -5.279 0.000) 5.279 5.262 ( 0.000 3.211 0.000) 3.211 5.403 ( 0.000 -8.397 0.000) 8.397 5.593 ( 0.000 -1.420 0.000) 1.420 5.655 ( 0.000 0.066 0.000) 0.066 5.716 ( 0.000 3.524 0.000) 3.524 5.719 ( 0.000 0.078 0.000) 0.078 6.014 ( 0.000 3.193 0.000) 3.193 6.088 ( 0.000 -1.968 0.000) 1.968 6.090 ( 0.000 -4.495 0.000) 4.495 6.164 ( 0.000 -5.586 0.000) 5.586 6.248 ( 0.000 4.286 0.000) 4.286 6.353 ( 0.000 -3.620 0.000) 3.620 6.480 ( 0.000 -2.844 0.000) 2.844 6.635 ( 0.000 1.979 0.000) 1.979 6.659 ( 0.000 2.211 0.000) 2.211 6.732 ( 0.000 -0.411 0.000) 0.411 6.744 ( 0.000 -1.196 0.000) 1.196 6.944 ( 0.000 1.156 0.000) 1.156 6.955 ( 0.000 2.704 0.000) 2.704 6.987 ( 0.000 -0.125 0.000) 0.125 7.118 ( 0.000 2.677 0.000) 2.677 7.292 ( 0.000 -1.942 0.000) 1.942 7.618 ( 0.000 5.286 0.000) 5.286 7.684 ( 0.000 5.235 0.000) 5.235 7.879 ( 0.000 6.440 0.000) 6.440 7.959 ( 0.000 5.828 0.000) 5.828 8.265 ( 0.000 -2.888 0.000) 2.888 8.339 ( 0.000 0.478 0.000) 0.478 8.540 ( 0.000 -3.749 0.000) 3.749 8.639 ( 0.000 1.235 0.000) 1.235 8.717 ( 0.000 4.325 0.000) 4.325 8.889 ( 0.000 0.612 0.000) 0.612 9.101 ( 0.000 -10.193 0.000) 10.193 9.130 ( 0.000 0.762 0.000) 0.762 9.197 ( 0.000 -7.752 0.000) 7.752 9.397 ( 0.000 -1.957 0.000) 1.957 9.521 ( 0.000 -0.668 0.000) 0.668 9.570 ( 0.000 8.206 0.000) 8.206 9.652 ( 0.000 -2.318 0.000) 2.318 9.770 ( 0.000 -1.595 0.000) 1.595 10.032 ( 0.000 0.031 0.000) 0.031 10.076 ( 0.000 3.728 0.000) 3.728 10.194 ( 0.000 7.119 0.000) 7.119 10.379 ( 0.000 1.677 0.000) 1.677 10.790 ( 0.000 -7.214 0.000) 7.214 10.997 ( 0.000 -7.559 0.000) 7.559 14.435 ( 0.000 14.230 0.000) 14.230 14.530 ( 0.000 14.499 0.000) 14.499 15.049 ( 0.000 24.634 0.000) 24.634 15.064 ( 0.000 -4.174 0.000) 4.174 15.127 ( 0.000 -4.976 0.000) 4.976 15.365 ( 0.000 12.786 0.000) 12.786 15.909 ( 0.000 11.594 0.000) 11.594 16.028 ( 0.000 10.809 0.000) 10.809 16.418 ( 0.000 -6.489 0.000) 6.489 16.489 ( 0.000 -7.946 0.000) 7.946 16.720 ( 0.000 -2.843 0.000) 2.843 16.962 ( 0.000 -5.676 0.000) 5.676 21.955 ( 0.000 0.382 0.000) 0.382 21.988 ( 0.000 -0.719 0.000) 0.719 22.026 ( 0.000 -1.788 0.000) 1.788 22.037 ( 0.000 -1.229 0.000) 1.229 22.901 ( 0.000 8.679 0.000) 8.679 23.062 ( 0.000 2.205 0.000) 2.205 23.347 ( 0.000 7.576 0.000) 7.576 23.411 ( 0.000 -1.547 0.000) 1.547 23.457 ( 0.000 -1.493 0.000) 1.493 23.704 ( 0.000 -0.866 0.000) 0.866 23.812 ( 0.000 -5.156 0.000) 5.156 24.027 ( 0.000 -5.596 0.000) 5.596 24.512 ( 0.000 2.975 0.000) 2.975 24.615 ( 0.000 -1.207 0.000) 1.207 24.640 ( 0.000 -2.207 0.000) 2.207 24.713 ( 0.000 -2.052 0.000) 2.052 25.109 ( 0.000 1.670 0.000) 1.670 25.117 ( 0.000 0.425 0.000) 0.425 25.160 ( 0.000 -0.531 0.000) 0.531 25.417 ( 0.000 -9.598 0.000) 9.598 ======================= Grid point 22 (14/84) ======================= q-point: ( 0.17 0.30 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 1.481 17.622 -0.439) 17.690 1.558 ( 2.928 23.106 1.298) 23.327 1.982 ( -7.580 10.337 1.634) 12.922 2.145 ( 3.157 4.579 0.154) 5.564 2.340 ( 17.413 18.916 0.169) 25.711 2.555 ( 8.554 10.719 0.081) 13.715 2.687 ( -3.544 7.242 2.274) 8.378 2.743 ( -6.048 7.139 -4.041) 10.192 2.900 ( -4.018 3.950 0.584) 5.665 3.003 ( -9.198 7.269 1.327) 11.799 3.097 ( -13.100 -1.858 -5.351) 14.272 3.203 ( -4.998 -4.081 -0.501) 6.472 3.320 ( -1.270 9.166 -2.279) 9.530 3.430 ( -1.074 -7.437 3.903) 8.467 3.625 ( -2.781 -0.476 -0.447) 2.856 3.694 ( -9.834 2.273 0.773) 10.123 3.807 ( -2.606 3.048 0.052) 4.011 3.933 ( 3.025 -9.735 3.466) 10.767 4.115 ( 0.987 -5.603 1.361) 5.850 4.160 ( 1.243 1.739 -2.785) 3.511 4.187 ( 9.058 -6.077 -0.732) 10.932 4.307 ( 6.370 -6.974 1.219) 9.523 4.371 ( 5.493 0.668 -1.572) 5.752 4.579 ( 13.624 -4.925 1.903) 14.611 4.672 ( 2.994 -11.885 5.225) 13.323 4.690 ( 2.449 2.275 -3.546) 4.873 4.837 ( 5.803 -4.970 -3.578) 8.437 4.977 ( 0.061 -5.799 -5.297) 7.855 5.071 ( 0.619 -7.482 6.168) 9.717 5.136 ( -4.520 -3.925 -0.184) 5.990 5.285 ( -1.033 -0.225 -3.230) 3.399 5.355 ( -4.812 -5.217 3.707) 8.007 5.474 ( -9.941 -0.308 -3.633) 10.588 5.605 ( -2.368 -4.024 -1.733) 4.980 5.716 ( 1.495 4.991 1.845) 5.527 5.778 ( 1.053 -0.324 1.864) 2.165 5.977 ( -0.179 -2.737 -0.433) 2.776 6.058 ( 0.652 -1.910 -1.185) 2.341 6.146 ( 1.451 2.894 0.830) 3.342 6.183 ( 2.514 -1.366 0.251) 2.872 6.284 ( 1.942 0.369 0.171) 1.984 6.399 ( -3.094 -1.063 -0.089) 3.272 6.499 ( 0.236 -4.102 -1.672) 4.436 6.554 ( 0.689 2.196 2.513) 3.408 6.564 ( -6.292 -0.830 -1.075) 6.437 6.682 ( -0.768 1.184 0.932) 1.692 6.801 ( -4.947 0.472 1.453) 5.178 6.889 ( 0.667 0.113 -1.185) 1.364 6.970 ( -0.904 2.027 3.517) 4.158 7.002 ( 2.894 1.022 0.201) 3.076 7.141 ( -1.146 0.429 -2.175) 2.496 7.284 ( -0.334 -0.277 -0.898) 0.997 7.456 ( -6.203 4.985 -2.789) 8.433 7.743 ( -3.934 1.463 0.718) 4.259 7.889 ( 3.914 -1.602 1.036) 4.354 8.020 ( -7.534 -0.468 0.236) 7.552 8.166 ( 0.835 4.364 -2.158) 4.939 8.295 ( -0.922 2.171 2.709) 3.592 8.579 ( 4.889 2.716 0.851) 5.657 8.672 ( -0.643 4.026 -7.570) 8.598 8.749 ( 2.653 -3.799 6.039) 7.612 8.888 ( -0.463 0.913 -0.004) 1.023 8.957 ( -10.620 0.347 -0.121) 10.627 9.128 ( -2.770 -5.406 0.119) 6.075 9.172 ( 0.255 -4.780 0.677) 4.835 9.290 ( -4.303 2.322 -0.559) 4.922 9.418 ( -5.340 -0.221 -1.271) 5.494 9.613 ( -0.925 4.694 2.692) 5.490 9.682 ( -0.072 -0.220 0.760) 0.794 9.864 ( 7.583 -0.052 -0.590) 7.606 9.996 ( 1.733 1.201 -4.380) 4.862 10.169 ( -1.231 5.739 -0.576) 5.898 10.287 ( 12.177 -1.416 0.704) 12.279 10.496 ( 9.557 -2.421 1.419) 9.961 10.812 ( 1.447 -7.175 2.739) 7.815 11.003 ( 1.103 -7.664 -1.910) 7.975 14.454 ( 1.916 14.084 0.175) 14.215 14.544 ( 1.560 14.393 -0.550) 14.488 14.931 ( -7.117 12.075 1.462) 14.092 15.005 ( -7.890 0.695 -0.610) 7.944 15.188 ( 4.807 9.327 -0.530) 10.506 15.387 ( 1.027 10.928 0.123) 10.977 15.866 ( -2.933 11.579 -1.035) 11.990 16.012 ( -1.247 10.231 0.742) 10.333 16.460 ( 3.450 -7.158 -0.508) 7.962 16.529 ( 3.489 -8.202 -0.292) 8.918 16.714 ( -0.650 -3.053 0.206) 3.128 16.954 ( -0.786 -5.815 0.176) 5.871 21.925 ( -1.719 0.824 0.485) 1.967 21.957 ( -1.384 0.478 0.197) 1.477 22.059 ( 2.107 -2.774 -0.438) 3.511 22.083 ( 2.615 -3.177 -0.359) 4.130 22.942 ( 3.563 7.387 1.095) 8.274 23.060 ( 0.043 2.319 -0.751) 2.438 23.331 ( -0.871 7.469 -2.056) 7.796 23.422 ( -1.529 -1.412 -0.692) 2.193 23.438 ( 0.989 -1.286 0.824) 1.820 23.702 ( 1.613 -0.497 -6.873) 7.077 23.819 ( -0.958 -4.961 5.980) 7.828 24.014 ( -1.405 -5.388 0.086) 5.569 24.520 ( 0.315 2.258 0.100) 2.283 24.609 ( -0.371 -1.678 1.124) 2.053 24.646 ( 0.451 -2.035 -0.334) 2.111 24.712 ( -0.169 -2.238 0.600) 2.323 25.085 ( -0.526 0.926 -1.989) 2.256 25.123 ( 1.330 2.055 -0.561) 2.512 25.209 ( 1.428 -2.084 3.921) 4.665 25.398 ( -1.460 -8.361 -0.603) 8.509 ======================= Grid point 23 (15/84) ======================= q-point: ( 0.33 0.30 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 11.030 4.118 -0.809) 11.802 1.759 ( 12.702 17.834 -0.444) 21.899 1.959 ( 5.500 1.708 -0.364) 5.771 2.236 ( 3.577 4.466 2.006) 6.064 2.387 ( -11.861 13.033 0.064) 17.622 2.445 ( -14.170 -5.901 -2.818) 15.606 2.576 ( -19.512 -6.236 1.719) 20.557 2.645 ( -4.624 1.466 5.039) 6.994 2.784 ( 5.152 20.276 -0.696) 20.932 2.845 ( -1.641 10.090 -5.921) 11.814 2.984 ( -3.290 11.142 2.943) 11.984 3.185 ( -2.658 13.130 -2.630) 13.652 3.313 ( 7.041 2.158 -2.076) 7.651 3.464 ( -0.895 3.173 2.418) 4.088 3.597 ( 3.798 -5.634 -1.674) 6.998 3.641 ( 2.784 1.108 4.265) 5.213 3.778 ( 0.676 3.289 0.610) 3.412 3.972 ( -0.255 -1.246 1.064) 1.658 4.124 ( -0.614 -7.759 -4.665) 9.075 4.144 ( 0.453 -9.093 -0.306) 9.109 4.250 ( -5.165 -3.727 5.645) 8.511 4.410 ( 7.334 -3.160 0.768) 8.023 4.489 ( 7.713 -0.866 -2.693) 8.215 4.731 ( 3.699 2.682 -6.364) 7.834 4.781 ( 2.412 -5.085 4.300) 7.083 4.853 ( 1.005 -2.879 -4.074) 5.089 4.904 ( 4.207 -6.265 -0.942) 7.605 5.018 ( -0.889 -6.153 3.971) 7.377 5.040 ( -3.492 1.204 2.674) 4.560 5.129 ( 7.846 -7.858 2.039) 11.290 5.172 ( -1.947 -1.592 -1.443) 2.900 5.253 ( -5.635 1.104 -4.513) 7.303 5.365 ( -0.964 -2.439 3.426) 4.314 5.527 ( -3.995 -8.020 -3.132) 9.492 5.750 ( -2.019 -1.534 0.902) 2.692 5.766 ( 3.817 3.305 0.642) 5.089 5.948 ( -5.295 -2.889 -2.623) 6.578 6.107 ( -1.279 1.246 -2.934) 3.434 6.162 ( 5.667 0.360 -1.558) 5.888 6.266 ( -5.370 0.293 -2.679) 6.008 6.279 ( 0.721 1.850 6.167) 6.479 6.293 ( 2.627 3.376 2.971) 5.208 6.459 ( -3.587 -0.186 2.262) 4.245 6.543 ( 3.148 -2.505 -3.410) 5.274 6.564 ( -0.818 -5.082 1.204) 5.286 6.698 ( -0.005 -1.581 0.153) 1.589 6.745 ( -0.247 2.388 3.548) 4.284 6.879 ( -1.364 0.146 -1.686) 2.173 6.986 ( -1.372 1.437 3.850) 4.332 7.006 ( -1.317 1.258 -0.502) 1.889 7.125 ( 3.399 0.011 0.859) 3.506 7.252 ( -3.131 -0.502 -2.351) 3.947 7.359 ( -3.232 3.063 -0.581) 4.491 7.604 ( -10.734 -3.513 -6.982) 13.278 7.772 ( -6.259 -3.445 1.916) 7.397 7.880 ( -6.196 -4.952 2.768) 8.401 8.273 ( 8.142 6.207 0.133) 10.239 8.405 ( 4.044 3.948 1.700) 5.902 8.585 ( 2.278 3.459 -5.889) 7.199 8.725 ( 3.245 4.479 -2.267) 5.978 8.752 ( -2.939 -5.459 4.434) 7.622 8.794 ( -3.376 0.998 0.333) 3.536 8.918 ( 1.532 1.818 -0.805) 2.510 9.030 ( -5.121 1.713 1.691) 5.659 9.152 ( -3.394 -0.868 0.597) 3.554 9.228 ( -3.950 -0.997 -0.047) 4.074 9.402 ( 4.650 1.422 1.141) 4.995 9.569 ( -3.206 0.254 1.698) 3.637 9.699 ( 0.959 4.768 -0.556) 4.896 9.986 ( 5.356 1.765 -2.144) 6.034 10.024 ( 1.865 0.702 -2.675) 3.336 10.126 ( -2.701 3.907 0.495) 4.775 10.483 ( 6.459 -4.957 -0.083) 8.142 10.679 ( 6.712 -5.618 1.125) 8.824 10.859 ( 1.480 -7.925 2.850) 8.551 11.027 ( 2.199 -8.022 -2.064) 8.571 14.509 ( 3.228 13.661 0.360) 14.041 14.589 ( 3.373 14.047 -1.111) 14.489 14.800 ( -6.597 11.726 1.882) 13.585 14.834 ( -7.909 6.841 -0.830) 10.490 15.263 ( 2.795 11.718 -0.492) 12.057 15.391 ( -0.384 11.815 0.102) 11.822 15.816 ( -1.529 10.395 -0.696) 10.530 16.000 ( -0.315 9.037 0.624) 9.064 16.520 ( 2.362 -7.725 -0.325) 8.085 16.597 ( 3.095 -8.591 -0.540) 9.147 16.698 ( -1.041 -3.572 0.351) 3.737 16.937 ( -0.876 -6.080 0.178) 6.146 21.912 ( 0.004 1.029 0.480) 1.136 21.946 ( 0.086 0.607 -0.043) 0.615 22.082 ( 0.417 -3.803 -0.486) 3.857 22.114 ( 0.693 -4.396 -0.023) 4.450 23.024 ( 2.939 3.955 0.585) 4.962 23.063 ( 1.121 2.396 -0.267) 2.658 23.306 ( -0.548 8.087 -1.812) 8.306 23.371 ( -2.256 -0.154 -0.705) 2.369 23.485 ( 2.271 -3.076 0.830) 3.912 23.714 ( 2.475 -0.809 -4.690) 5.364 23.824 ( -0.967 -3.769 4.405) 5.878 23.971 ( -2.694 -4.650 -0.192) 5.378 24.514 ( -0.520 1.214 -0.704) 1.497 24.605 ( -0.806 -1.480 0.779) 1.856 24.662 ( 1.175 -2.146 -0.010) 2.447 24.715 ( 0.048 -2.914 1.107) 3.117 25.092 ( 1.702 0.561 -0.224) 1.806 25.149 ( 1.485 1.604 -1.333) 2.561 25.214 ( -2.158 -2.584 1.334) 3.621 25.374 ( -0.673 -5.585 0.721) 5.671 ======================= Grid point 24 (16/84) ======================= q-point: (-0.50 0.30 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.000 -3.047 -0.000) 3.047 2.038 ( -0.000 8.381 0.000) 8.381 2.072 ( 0.000 7.878 -0.000) 7.878 2.128 ( -0.001 -1.886 0.000) 1.886 2.134 ( 0.001 -1.278 -0.000) 1.278 2.276 ( 0.000 -3.932 0.000) 3.932 2.459 ( 0.000 12.476 -0.000) 12.476 2.464 ( -0.000 -0.663 0.000) 0.663 2.825 ( 0.000 12.288 -0.000) 12.288 2.871 ( 0.000 14.269 0.000) 14.269 2.989 ( -0.000 13.320 0.000) 13.320 3.107 ( 0.000 13.470 -0.000) 13.470 3.366 ( -0.000 2.007 0.000) 2.007 3.480 ( 0.000 7.556 -0.000) 7.556 3.678 ( 0.000 -8.924 -0.000) 8.924 3.700 ( 0.000 -0.643 0.000) 0.643 3.814 ( 0.000 2.535 0.000) 2.535 3.971 ( 0.000 4.909 -0.000) 4.909 4.076 ( -0.000 -8.930 0.000) 8.930 4.135 ( 0.000 -5.547 -0.000) 5.547 4.221 ( 0.000 -10.859 0.000) 10.859 4.518 ( 0.000 -4.425 0.000) 4.425 4.587 ( -0.000 2.723 -0.000) 2.723 4.680 ( 0.000 -0.166 -0.000) 0.166 4.819 ( 0.000 -3.445 -0.000) 3.445 4.854 ( -0.000 0.247 0.000) 0.247 4.898 ( 0.000 4.430 0.000) 4.430 4.963 ( 0.000 -6.500 -0.000) 6.500 5.058 ( 0.000 -3.439 0.000) 3.439 5.095 ( 0.000 4.798 0.000) 4.798 5.179 ( -0.000 0.422 -0.000) 0.422 5.327 ( 0.000 -5.922 -0.000) 5.922 5.399 ( 0.000 -7.431 -0.000) 7.431 5.442 ( 0.000 -8.503 0.000) 8.503 5.790 ( -0.000 -6.449 -0.000) 6.449 5.792 ( 0.000 -2.164 0.000) 2.164 5.887 ( 0.000 -2.364 0.000) 2.364 6.030 ( -0.000 4.586 -0.000) 4.586 6.167 ( 0.000 4.120 0.000) 4.120 6.228 ( 0.000 5.372 0.000) 5.372 6.330 ( -0.000 -4.874 -0.000) 4.874 6.334 ( 0.000 0.877 0.000) 0.877 6.399 ( -0.000 4.977 0.000) 4.977 6.577 ( 0.000 -4.885 0.000) 4.885 6.629 ( -0.000 -7.199 -0.000) 7.199 6.652 ( 0.000 -3.513 -0.000) 3.513 6.783 ( 0.000 4.039 0.000) 4.039 6.816 ( -0.000 1.710 -0.000) 1.710 6.999 ( 0.000 1.624 0.000) 1.624 7.000 ( -0.000 1.967 -0.000) 1.967 7.132 ( 0.000 -2.517 -0.000) 2.517 7.245 ( 0.000 0.866 0.000) 0.866 7.336 ( -0.000 -0.308 -0.000) 0.308 7.405 ( 0.000 -2.518 0.000) 2.518 7.734 ( 0.000 -2.879 0.000) 2.879 7.817 ( 0.000 -2.704 0.000) 2.704 8.393 ( 0.000 3.767 0.000) 3.767 8.396 ( -0.000 -0.923 -0.000) 0.923 8.658 ( 0.000 4.493 -0.000) 4.493 8.701 ( 0.000 9.662 0.000) 9.662 8.755 ( 0.000 -8.208 -0.000) 8.208 8.765 ( 0.000 -1.152 0.000) 1.152 8.932 ( 0.000 1.123 -0.000) 1.123 8.976 ( 0.000 4.437 0.000) 4.437 9.109 ( -0.000 6.916 -0.000) 6.916 9.181 ( 0.000 -6.833 0.000) 6.833 9.495 ( 0.000 6.751 0.000) 6.751 9.515 ( -0.000 -4.167 -0.000) 4.167 9.706 ( 0.000 5.835 0.000) 5.835 10.030 ( 0.000 0.881 0.000) 0.881 10.065 ( -0.000 2.943 0.000) 2.943 10.074 ( 0.000 1.117 -0.000) 1.117 10.544 ( 0.000 -5.728 -0.000) 5.728 10.748 ( 0.000 -5.156 0.000) 5.156 10.883 ( 0.000 -9.095 0.000) 9.095 11.050 ( 0.000 -8.303 -0.000) 8.303 14.556 ( -0.000 13.423 -0.000) 13.423 14.651 ( 0.000 13.927 0.000) 13.927 14.705 ( 0.000 10.928 -0.000) 10.928 14.739 ( 0.000 10.002 0.000) 10.002 15.290 ( 0.000 12.505 -0.000) 12.505 15.386 ( 0.000 12.680 0.000) 12.680 15.799 ( 0.000 9.652 -0.000) 9.652 16.000 ( 0.000 8.418 0.000) 8.418 16.543 ( 0.000 -7.818 -0.000) 7.818 16.631 ( 0.000 -8.935 -0.000) 8.935 16.684 ( -0.000 -3.634 0.000) 3.634 16.928 ( 0.000 -6.206 -0.000) 6.206 21.916 ( 0.000 0.981 0.000) 0.981 21.950 ( 0.000 0.502 0.000) 0.502 22.082 ( -0.000 -4.021 -0.000) 4.021 22.119 ( 0.000 -4.705 0.000) 4.705 23.042 ( 0.000 2.878 -0.000) 2.878 23.092 ( -0.000 1.098 -0.000) 1.098 23.296 ( 0.000 9.852 -0.000) 9.852 23.344 ( 0.000 -0.806 -0.000) 0.806 23.513 ( 0.000 -4.095 0.000) 4.095 23.739 ( 0.000 -1.447 -0.000) 1.447 23.824 ( -0.000 -3.109 0.000) 3.109 23.933 ( 0.000 -3.768 0.000) 3.768 24.506 ( 0.000 0.883 -0.000) 0.883 24.595 ( 0.000 -1.205 -0.000) 1.205 24.676 ( 0.000 -1.834 0.000) 1.834 24.720 ( 0.000 -3.615 0.000) 3.615 25.139 ( 0.000 -1.673 0.000) 1.673 25.142 ( -0.000 0.035 -0.000) 0.035 25.182 ( 0.000 0.934 -0.000) 0.934 25.371 ( 0.000 -4.497 0.000) 4.497 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.000 23.710 0.000) 23.710 2.126 ( 0.000 19.631 0.000) 19.631 2.276 ( 0.000 12.542 0.000) 12.542 2.348 ( 0.000 11.086 0.000) 11.086 2.460 ( 0.000 4.200 0.000) 4.200 2.632 ( 0.000 14.351 0.000) 14.351 2.723 ( 0.000 -4.551 0.000) 4.551 2.831 ( 0.000 4.506 0.000) 4.506 3.021 ( 0.000 -11.556 0.000) 11.556 3.049 ( 0.000 -2.420 0.000) 2.420 3.204 ( 0.000 3.804 0.000) 3.804 3.280 ( 0.000 -6.930 0.000) 6.930 3.323 ( 0.000 -11.030 0.000) 11.030 3.402 ( 0.000 -0.831 0.000) 0.831 3.485 ( 0.000 0.707 0.000) 0.707 3.619 ( 0.000 -16.788 0.000) 16.788 3.730 ( 0.000 -6.381 0.000) 6.381 3.827 ( 0.000 -6.157 0.000) 6.157 4.067 ( 0.000 9.417 0.000) 9.417 4.113 ( 0.000 0.946 0.000) 0.946 4.144 ( 0.000 6.562 0.000) 6.562 4.297 ( 0.000 7.151 0.000) 7.151 4.349 ( 0.000 -1.303 0.000) 1.303 4.457 ( 0.000 8.888 0.000) 8.888 4.565 ( 0.000 -3.197 0.000) 3.197 4.639 ( 0.000 2.139 0.000) 2.139 4.714 ( 0.000 -5.927 0.000) 5.927 4.841 ( 0.000 -9.901 0.000) 9.901 4.861 ( 0.000 -4.151 0.000) 4.151 5.113 ( 0.000 -5.842 0.000) 5.842 5.277 ( 0.000 -1.034 0.000) 1.034 5.317 ( 0.000 1.650 0.000) 1.650 5.604 ( 0.000 2.176 0.000) 2.176 5.655 ( 0.000 0.077 0.000) 0.077 5.713 ( 0.000 -0.285 0.000) 0.285 5.835 ( 0.000 8.463 0.000) 8.463 5.906 ( 0.000 -9.539 0.000) 9.539 6.009 ( 0.000 -4.254 0.000) 4.254 6.026 ( 0.000 -3.943 0.000) 3.943 6.140 ( 0.000 3.496 0.000) 3.496 6.245 ( 0.000 -7.465 0.000) 7.465 6.353 ( 0.000 -7.466 0.000) 7.466 6.416 ( 0.000 8.947 0.000) 8.947 6.658 ( 0.000 -2.407 0.000) 2.407 6.690 ( 0.000 1.876 0.000) 1.876 6.720 ( 0.000 0.385 0.000) 0.385 6.761 ( 0.000 2.948 0.000) 2.948 6.933 ( 0.000 -2.524 0.000) 2.524 6.986 ( 0.000 2.640 0.000) 2.640 7.073 ( 0.000 5.280 0.000) 5.280 7.126 ( 0.000 -1.899 0.000) 1.899 7.248 ( 0.000 -2.641 0.000) 2.641 7.704 ( 0.000 3.029 0.000) 3.029 7.748 ( 0.000 0.992 0.000) 0.992 8.005 ( 0.000 6.110 0.000) 6.110 8.054 ( 0.000 3.868 0.000) 3.868 8.206 ( 0.000 -2.939 0.000) 2.939 8.256 ( 0.000 -5.493 0.000) 5.493 8.576 ( 0.000 3.716 0.000) 3.716 8.643 ( 0.000 -0.368 0.000) 0.368 8.795 ( 0.000 3.298 0.000) 3.298 8.894 ( 0.000 0.022 0.000) 0.022 8.920 ( 0.000 -6.698 0.000) 6.698 9.035 ( 0.000 -7.201 0.000) 7.201 9.171 ( 0.000 3.050 0.000) 3.050 9.334 ( 0.000 -4.261 0.000) 4.261 9.519 ( 0.000 0.644 0.000) 0.644 9.588 ( 0.000 -2.320 0.000) 2.320 9.730 ( 0.000 5.736 0.000) 5.736 9.793 ( 0.000 2.296 0.000) 2.296 10.039 ( 0.000 0.824 0.000) 0.824 10.113 ( 0.000 -0.551 0.000) 0.551 10.324 ( 0.000 6.362 0.000) 6.362 10.473 ( 0.000 7.461 0.000) 7.461 10.633 ( 0.000 -8.130 0.000) 8.130 10.830 ( 0.000 -8.817 0.000) 8.817 14.683 ( 0.000 10.208 0.000) 10.208 14.767 ( 0.000 9.045 0.000) 9.045 14.972 ( 0.000 -5.016 0.000) 5.016 15.025 ( 0.000 -5.161 0.000) 5.161 15.531 ( 0.000 22.595 0.000) 22.595 15.660 ( 0.000 15.737 0.000) 15.737 16.165 ( 0.000 13.217 0.000) 13.217 16.239 ( 0.000 -11.136 0.000) 11.136 16.274 ( 0.000 -13.359 0.000) 13.359 16.282 ( 0.000 13.800 0.000) 13.800 16.616 ( 0.000 -7.509 0.000) 7.509 16.803 ( 0.000 -10.073 0.000) 10.073 21.959 ( 0.000 0.125 0.000) 0.125 21.976 ( 0.000 -0.568 0.000) 0.568 21.998 ( 0.000 -0.815 0.000) 0.815 22.013 ( 0.000 -1.100 0.000) 1.100 23.037 ( 0.000 4.920 0.000) 4.920 23.101 ( 0.000 1.402 0.000) 1.402 23.381 ( 0.000 -1.162 0.000) 1.162 23.411 ( 0.000 -1.983 0.000) 1.983 23.528 ( 0.000 8.879 0.000) 8.879 23.691 ( 0.000 -0.383 0.000) 0.383 23.734 ( 0.000 -2.508 0.000) 2.508 23.891 ( 0.000 -7.680 0.000) 7.680 24.565 ( 0.000 2.364 0.000) 2.364 24.597 ( 0.000 -0.481 0.000) 0.481 24.605 ( 0.000 -1.265 0.000) 1.265 24.667 ( 0.000 -2.443 0.000) 2.443 25.115 ( 0.000 0.173 0.000) 0.173 25.144 ( 0.000 -1.008 0.000) 1.008 25.153 ( 0.000 1.991 0.000) 1.991 25.270 ( 0.000 -5.084 0.000) 5.084 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -11.041 18.055 -1.918) 21.250 2.014 ( 2.555 20.614 -0.448) 20.776 2.189 ( -10.520 10.472 4.468) 15.501 2.306 ( -3.071 9.892 -1.474) 10.462 2.520 ( -4.961 -4.216 0.690) 6.547 2.554 ( -2.088 -3.512 3.413) 5.324 2.720 ( -8.709 -5.460 -1.032) 10.330 2.812 ( -3.694 -0.102 -1.886) 4.149 2.977 ( -1.489 -7.947 -0.747) 8.119 3.078 ( 4.128 9.085 -0.672) 10.002 3.137 ( -2.046 4.364 -1.041) 4.931 3.202 ( -0.319 4.200 2.173) 4.739 3.316 ( 9.262 1.552 -2.912) 9.832 3.473 ( 0.479 -1.125 -5.370) 5.507 3.516 ( 2.542 -4.793 4.451) 7.017 3.683 ( -2.792 -1.081 -0.870) 3.118 3.769 ( 4.911 -5.018 2.725) 7.531 3.892 ( -0.797 -3.339 -3.997) 5.269 4.044 ( -0.952 -0.603 1.426) 1.818 4.149 ( 6.277 6.096 1.727) 8.919 4.208 ( 4.430 -2.071 2.025) 5.293 4.285 ( 2.989 8.484 -1.134) 9.067 4.408 ( -3.393 -0.622 -0.926) 3.572 4.463 ( 5.900 -5.483 4.110) 9.042 4.503 ( 1.072 -2.964 2.055) 3.762 4.744 ( 7.359 2.556 1.546) 7.942 4.778 ( 3.424 -2.048 -3.883) 5.567 4.825 ( 3.386 -7.514 -2.121) 8.510 4.942 ( 4.340 -5.038 1.900) 6.915 5.143 ( 0.085 1.138 1.975) 2.281 5.215 ( -1.355 -3.559 -0.815) 3.894 5.316 ( -3.564 1.189 -0.992) 3.886 5.497 ( -8.684 1.634 -4.643) 9.981 5.545 ( -6.997 -2.018 -2.701) 7.767 5.763 ( 1.709 -0.619 2.293) 2.926 5.837 ( -2.097 3.170 2.545) 4.574 5.879 ( 3.630 0.228 -1.217) 3.836 6.035 ( 1.434 -2.600 1.860) 3.503 6.115 ( 3.928 -4.639 -1.649) 6.299 6.170 ( 3.316 0.826 -1.274) 3.647 6.255 ( -0.010 -6.073 1.110) 6.174 6.359 ( 0.513 -6.422 -0.187) 6.445 6.438 ( 1.101 4.541 -1.272) 4.842 6.548 ( -5.299 -0.715 -1.304) 5.503 6.624 ( -3.932 4.158 -0.679) 5.763 6.743 ( 1.502 3.894 4.337) 6.019 6.795 ( -3.469 -0.965 0.432) 3.627 6.890 ( -2.564 -0.704 3.123) 4.101 7.012 ( 2.702 1.100 -1.119) 3.125 7.052 ( -0.578 4.629 1.531) 4.910 7.138 ( -1.035 -0.733 -1.622) 2.059 7.259 ( 0.978 -2.437 -1.350) 2.953 7.554 ( -8.109 4.276 -0.617) 9.189 7.758 ( -4.125 -4.295 2.405) 6.423 7.797 ( -10.922 -0.479 -3.098) 11.363 7.961 ( -13.798 -4.427 0.190) 14.492 8.272 ( 7.439 5.256 -1.834) 9.291 8.353 ( 7.262 2.210 2.732) 8.068 8.608 ( 0.282 0.303 0.480) 0.634 8.671 ( -2.619 -3.177 4.573) 6.154 8.760 ( 0.318 3.982 -5.364) 6.688 8.872 ( -1.500 -2.756 -1.066) 3.314 8.937 ( 0.966 -0.470 -3.563) 3.721 9.027 ( 2.048 -4.257 -2.047) 5.148 9.146 ( -1.756 2.042 4.294) 5.069 9.284 ( -2.753 -2.905 3.567) 5.361 9.453 ( -3.793 3.545 -1.978) 5.556 9.612 ( -1.679 -2.667 1.664) 3.564 9.774 ( 3.229 5.933 -0.002) 6.755 9.888 ( 7.857 1.497 1.481) 8.134 10.024 ( 0.918 2.022 -4.195) 4.747 10.191 ( 4.662 -3.538 0.563) 5.879 10.340 ( 1.403 6.335 -0.785) 6.536 10.511 ( 4.041 3.554 0.644) 5.420 10.662 ( 1.840 -7.136 2.391) 7.748 10.836 ( 1.052 -8.601 -1.325) 8.766 14.696 ( 1.246 9.671 0.045) 9.751 14.775 ( 0.832 8.542 -0.268) 8.587 14.947 ( -2.477 -3.468 0.504) 4.292 14.989 ( -3.167 -2.869 -0.135) 4.276 15.557 ( 2.369 21.362 -0.213) 21.494 15.670 ( 0.817 15.727 0.186) 15.750 16.111 ( -3.565 9.974 0.035) 10.592 16.220 ( -2.235 3.084 -0.273) 3.818 16.287 ( 3.221 -7.768 -0.582) 8.429 16.347 ( 3.345 -3.209 0.411) 4.654 16.606 ( -0.975 -7.630 0.161) 7.694 16.793 ( -0.926 -10.117 -0.040) 10.159 21.943 ( -0.944 0.947 0.083) 1.340 21.966 ( -0.708 0.417 0.382) 0.906 22.010 ( 0.711 -2.034 -0.348) 2.183 22.027 ( 0.920 -2.300 -0.163) 2.483 23.055 ( 1.579 4.103 0.521) 4.427 23.102 ( 0.133 1.552 -0.338) 1.594 23.385 ( -1.018 -1.334 -0.858) 1.885 23.396 ( 0.564 -1.545 -0.460) 1.708 23.518 ( -0.731 8.717 -0.519) 8.763 23.692 ( 0.728 -0.433 -2.958) 3.076 23.743 ( -0.125 -2.453 4.217) 4.881 23.883 ( -0.899 -7.388 -0.015) 7.443 24.561 ( -0.653 1.654 -0.391) 1.821 24.588 ( -0.404 -0.240 1.028) 1.130 24.610 ( 0.329 -1.392 -0.426) 1.492 24.664 ( -0.308 -2.420 0.236) 2.450 25.103 ( -0.157 0.966 -0.811) 1.271 25.155 ( 0.974 0.066 -1.069) 1.448 25.175 ( 0.893 -0.200 1.797) 2.017 25.271 ( 0.320 -4.341 0.031) 4.353 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -2.525 7.977 -1.532) 8.506 1.983 ( -6.075 3.994 0.641) 7.299 2.090 ( -0.839 3.850 -2.325) 4.575 2.216 ( -13.171 -4.649 0.591) 13.980 2.313 ( -4.450 -2.335 0.929) 5.111 2.455 ( -6.132 -1.352 4.243) 7.578 2.575 ( -4.965 5.317 3.260) 7.972 2.711 ( -3.355 4.674 -2.843) 6.417 2.980 ( 1.958 1.267 -0.598) 2.407 3.106 ( -0.398 10.888 -2.144) 11.104 3.189 ( 3.561 3.261 -0.561) 4.861 3.303 ( 2.619 0.316 3.014) 4.005 3.395 ( -0.529 5.049 -3.979) 6.450 3.502 ( 3.482 2.368 -5.700) 7.087 3.580 ( 5.154 3.359 0.585) 6.180 3.644 ( 0.485 -0.030 3.364) 3.399 3.777 ( -1.427 -4.071 0.419) 4.334 3.921 ( 3.097 -6.335 1.437) 7.197 4.039 ( 0.685 3.593 -1.110) 3.822 4.151 ( -2.070 8.913 -3.062) 9.649 4.227 ( -5.898 3.423 4.553) 8.199 4.369 ( 3.902 -6.257 3.233) 8.052 4.440 ( 8.939 0.695 -0.017) 8.966 4.643 ( 5.706 -8.772 -0.275) 10.468 4.673 ( 7.131 -11.491 0.226) 13.525 4.772 ( 3.646 -1.422 -1.512) 4.195 4.914 ( 2.305 -0.147 1.103) 2.560 4.928 ( 7.693 3.534 3.744) 9.257 5.044 ( 8.446 -0.157 0.851) 8.491 5.145 ( -2.142 3.211 -0.322) 3.874 5.156 ( -5.738 5.016 -1.307) 7.733 5.219 ( -1.418 -5.720 0.197) 5.896 5.344 ( -4.433 -2.937 -1.732) 5.592 5.393 ( -5.032 -1.759 -4.413) 6.920 5.756 ( -2.015 1.619 -1.132) 2.822 5.784 ( -2.998 -0.660 1.484) 3.410 5.902 ( -6.519 -0.274 -4.262) 7.793 6.098 ( 4.100 -6.131 1.291) 7.487 6.166 ( 3.397 -0.263 0.387) 3.429 6.182 ( -2.230 -0.686 -3.785) 4.447 6.286 ( 6.516 -2.842 -0.010) 7.109 6.385 ( -3.758 1.458 0.300) 4.042 6.405 ( 3.549 -1.865 3.041) 5.032 6.515 ( -2.256 -0.191 -1.074) 2.506 6.562 ( -1.038 2.913 -0.227) 3.101 6.683 ( -6.381 0.175 0.755) 6.428 6.800 ( 1.216 3.303 5.415) 6.459 6.883 ( 0.515 0.202 5.825) 5.851 7.011 ( -4.399 0.880 1.695) 4.796 7.070 ( 1.293 4.581 1.142) 4.895 7.107 ( 0.945 -1.383 -3.481) 3.863 7.240 ( -1.389 -1.466 -4.009) 4.489 7.431 ( -4.631 3.829 1.627) 6.225 7.548 ( -11.042 -1.236 -7.657) 13.494 7.671 ( -3.452 -6.108 -0.597) 7.042 7.754 ( -6.184 -6.842 3.535) 9.877 8.372 ( 2.189 3.830 0.819) 4.487 8.455 ( 0.172 1.793 -0.122) 1.806 8.593 ( -5.080 -6.542 4.687) 9.517 8.612 ( 4.031 -1.860 -1.587) 4.715 8.765 ( 0.625 1.100 -5.743) 5.881 8.821 ( -2.340 -0.153 0.444) 2.387 8.967 ( 2.440 2.353 -2.182) 4.031 9.030 ( -0.273 -1.280 -2.660) 2.965 9.163 ( 0.338 4.367 5.115) 6.734 9.311 ( -0.447 2.759 3.216) 4.260 9.392 ( 1.385 0.872 -0.473) 1.703 9.572 ( -2.058 -1.794 1.011) 2.911 9.835 ( 2.791 7.507 -0.267) 8.013 10.018 ( 2.721 -1.341 -1.363) 3.326 10.048 ( 4.073 4.432 -1.212) 6.140 10.206 ( -2.519 2.390 -1.194) 3.672 10.398 ( 3.486 -1.701 1.002) 4.007 10.612 ( 5.030 -2.561 -0.121) 5.645 10.701 ( 0.477 -5.852 2.092) 6.233 10.864 ( 2.052 -7.913 -1.036) 8.240 14.730 ( 2.083 8.190 0.182) 8.452 14.799 ( 1.910 7.066 -0.655) 7.348 14.888 ( -3.328 -0.036 0.053) 3.329 14.917 ( -3.853 1.088 0.578) 4.046 15.605 ( 2.108 19.708 -0.438) 19.825 15.688 ( 0.797 16.283 0.390) 16.307 16.051 ( -2.285 10.635 -0.077) 10.878 16.188 ( -0.908 5.471 -0.136) 5.548 16.338 ( 1.970 -8.655 -0.339) 8.883 16.407 ( 2.414 -6.610 0.179) 7.039 16.582 ( -1.325 -7.882 0.151) 7.994 16.771 ( -1.022 -10.201 -0.036) 10.252 21.934 ( -0.027 1.232 0.210) 1.250 21.959 ( -0.072 0.773 0.097) 0.783 22.014 ( -0.011 -2.853 -0.411) 2.882 22.037 ( 0.088 -3.204 0.059) 3.206 23.089 ( 1.032 2.537 0.167) 2.744 23.106 ( 0.682 1.717 -0.034) 1.848 23.351 ( -1.190 -0.123 -1.277) 1.750 23.419 ( 1.033 -3.156 0.270) 3.332 23.500 ( -0.722 9.023 -0.504) 9.066 23.701 ( 1.437 -0.432 -1.744) 2.300 23.759 ( -0.118 -2.479 3.033) 3.919 23.854 ( -1.816 -6.781 -0.242) 7.024 24.541 ( -0.829 1.340 -0.607) 1.689 24.582 ( -0.649 -0.744 0.473) 1.095 24.623 ( 1.013 -1.421 0.185) 1.755 24.658 ( -0.440 -2.473 0.367) 2.539 25.108 ( 0.829 0.936 -0.279) 1.281 25.157 ( -0.514 -1.252 -1.135) 1.766 25.195 ( 0.789 1.120 0.722) 1.549 25.284 ( 0.651 -3.419 0.585) 3.529 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -0.000 -1.062 0.000) 1.062 1.931 ( 0.000 -8.537 0.000) 8.537 1.982 ( -0.000 -4.507 -0.000) 4.507 2.051 ( 0.000 -8.082 0.000) 8.082 2.335 ( 0.000 6.558 -0.000) 6.558 2.398 ( -0.000 6.077 0.000) 6.077 2.529 ( 0.000 11.894 0.000) 11.894 2.672 ( 0.000 8.742 0.000) 8.742 3.007 ( 0.000 2.742 -0.000) 2.742 3.101 ( 0.000 8.595 -0.000) 8.595 3.243 ( -0.000 11.575 0.000) 11.575 3.246 ( 0.000 -3.134 -0.000) 3.134 3.406 ( 0.000 1.963 0.000) 1.963 3.522 ( 0.000 -0.138 0.000) 0.138 3.629 ( 0.000 2.730 -0.000) 2.730 3.687 ( 0.000 -1.889 0.000) 1.889 3.789 ( 0.000 -7.040 -0.000) 7.040 3.941 ( 0.000 -11.587 0.000) 11.587 4.076 ( 0.000 12.040 0.000) 12.040 4.098 ( -0.000 8.701 -0.000) 8.701 4.154 ( -0.000 4.078 0.000) 4.078 4.485 ( 0.000 0.871 0.000) 0.871 4.557 ( 0.000 -6.744 0.000) 6.744 4.584 ( -0.000 -10.842 -0.000) 10.842 4.767 ( 0.000 -4.226 0.000) 4.226 4.871 ( -0.000 -3.355 -0.000) 3.355 4.916 ( 0.000 3.792 -0.000) 3.792 4.962 ( 0.000 5.090 -0.000) 5.090 5.094 ( 0.000 4.100 0.000) 4.100 5.132 ( 0.000 -2.965 -0.000) 2.965 5.188 ( 0.000 1.143 0.000) 1.143 5.224 ( 0.000 1.983 -0.000) 1.983 5.309 ( 0.000 -4.222 0.000) 4.222 5.342 ( 0.000 -1.176 -0.000) 1.176 5.668 ( 0.000 -3.715 -0.000) 3.715 5.746 ( 0.000 -0.978 0.000) 0.978 5.828 ( 0.000 -3.548 -0.000) 3.548 6.034 ( 0.000 -6.825 -0.000) 6.825 6.225 ( 0.000 2.196 0.000) 2.196 6.270 ( 0.000 0.714 -0.000) 0.714 6.317 ( 0.000 3.493 -0.000) 3.493 6.345 ( -0.000 0.523 0.000) 0.523 6.468 ( 0.000 -5.450 0.000) 5.450 6.506 ( 0.000 1.584 0.000) 1.584 6.552 ( 0.000 -0.057 -0.000) 0.057 6.581 ( -0.000 -1.583 -0.000) 1.583 6.851 ( -0.000 2.411 -0.000) 2.411 6.872 ( 0.000 4.548 0.000) 4.548 7.015 ( 0.000 -0.694 0.000) 0.694 7.034 ( 0.000 -0.523 -0.000) 0.523 7.112 ( 0.000 2.251 -0.000) 2.251 7.230 ( 0.000 -2.728 -0.000) 2.728 7.386 ( 0.000 1.170 -0.000) 1.170 7.390 ( -0.000 5.678 0.000) 5.678 7.638 ( 0.000 -6.684 0.000) 6.684 7.712 ( 0.000 -7.333 -0.000) 7.333 8.371 ( 0.000 -0.487 0.000) 0.487 8.452 ( 0.000 1.192 -0.000) 1.192 8.555 ( 0.000 -6.018 -0.000) 6.018 8.680 ( 0.000 -5.884 0.000) 5.884 8.744 ( 0.000 2.277 0.000) 2.277 8.795 ( -0.000 0.638 -0.000) 0.638 8.980 ( 0.000 2.278 0.000) 2.278 9.022 ( 0.000 -0.146 0.000) 0.146 9.192 ( 0.000 6.667 0.000) 6.667 9.279 ( -0.000 8.378 -0.000) 8.378 9.442 ( 0.000 -3.187 -0.000) 3.187 9.552 ( 0.000 -1.414 0.000) 1.414 9.867 ( 0.000 8.317 0.000) 8.317 10.029 ( 0.000 -0.947 0.000) 0.947 10.120 ( -0.000 3.296 -0.000) 3.296 10.144 ( 0.000 4.783 -0.000) 4.783 10.438 ( 0.000 -3.710 0.000) 3.710 10.679 ( 0.000 -10.762 -0.000) 10.762 10.696 ( -0.000 0.216 0.000) 0.216 10.886 ( 0.000 -7.645 -0.000) 7.645 14.762 ( -0.000 6.870 -0.000) 6.870 14.831 ( 0.000 4.327 0.000) 4.327 14.853 ( 0.000 4.141 -0.000) 4.141 14.854 ( -0.000 2.802 0.000) 2.802 15.625 ( 0.000 19.091 -0.000) 19.091 15.699 ( 0.000 16.866 0.000) 16.866 16.027 ( 0.000 10.878 -0.000) 10.878 16.180 ( 0.000 6.054 0.000) 6.054 16.358 ( 0.000 -9.218 -0.000) 9.218 16.435 ( 0.000 -7.714 -0.000) 7.714 16.566 ( -0.000 -7.988 0.000) 7.988 16.760 ( 0.000 -10.241 -0.000) 10.241 21.936 ( 0.000 1.088 0.000) 1.088 21.960 ( 0.000 0.677 -0.000) 0.677 22.012 ( 0.000 -2.918 -0.000) 2.918 22.036 ( 0.000 -3.369 0.000) 3.369 23.095 ( 0.000 2.284 -0.000) 2.284 23.119 ( 0.000 1.253 -0.000) 1.253 23.335 ( 0.000 0.222 -0.000) 0.222 23.431 ( 0.000 -3.926 0.000) 3.926 23.491 ( 0.000 9.301 0.000) 9.301 23.719 ( 0.000 -0.339 -0.000) 0.339 23.764 ( 0.000 -2.701 0.000) 2.701 23.828 ( 0.000 -6.435 0.000) 6.435 24.531 ( 0.000 1.456 -0.000) 1.456 24.575 ( 0.000 -0.770 -0.000) 0.770 24.639 ( 0.000 -1.636 0.000) 1.636 24.651 ( -0.000 -2.676 0.000) 2.676 25.125 ( 0.000 -0.036 0.000) 0.036 25.137 ( 0.000 -0.344 0.000) 0.344 25.207 ( 0.000 1.419 -0.000) 1.419 25.293 ( 0.000 -3.175 0.000) 3.175 ======================= Grid point 35 (21/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 0.000 -15.291 0.000) 15.291 2.343 ( 0.000 15.291 0.000) 15.291 2.412 ( 0.000 -6.983 0.000) 6.983 2.412 ( 0.000 6.983 0.000) 6.983 2.552 ( 0.000 -12.178 0.000) 12.178 2.552 ( 0.000 12.178 0.000) 12.178 2.815 ( 0.000 -7.327 0.000) 7.327 2.815 ( 0.000 7.327 0.000) 7.327 2.966 ( 0.000 -5.841 0.000) 5.841 2.966 ( 0.000 5.841 0.000) 5.841 3.184 ( 0.000 -0.286 0.000) 0.286 3.184 ( 0.000 0.286 0.000) 0.286 3.319 ( 0.000 -10.229 0.000) 10.229 3.319 ( 0.000 10.229 0.000) 10.229 3.457 ( 0.000 -3.791 0.000) 3.791 3.457 ( 0.000 3.791 0.000) 3.791 3.701 ( 0.000 -3.990 0.000) 3.990 3.701 ( 0.000 3.990 0.000) 3.990 4.162 ( 0.000 -0.070 0.000) 0.070 4.162 ( 0.000 0.070 0.000) 0.070 4.290 ( 0.000 -2.521 0.000) 2.521 4.290 ( 0.000 2.521 0.000) 2.521 4.422 ( 0.000 -9.374 0.000) 9.374 4.422 ( 0.000 9.374 0.000) 9.374 4.619 ( 0.000 -9.895 0.000) 9.895 4.619 ( 0.000 9.895 0.000) 9.895 4.710 ( 0.000 -1.384 0.000) 1.384 4.710 ( 0.000 1.384 0.000) 1.384 4.919 ( 0.000 -10.646 0.000) 10.646 4.919 ( 0.000 10.646 0.000) 10.646 5.319 ( 0.000 -1.763 0.000) 1.763 5.319 ( 0.000 1.763 0.000) 1.763 5.651 ( 0.000 -1.141 0.000) 1.141 5.651 ( 0.000 1.141 0.000) 1.141 5.745 ( 0.000 -4.947 0.000) 4.947 5.745 ( 0.000 4.947 0.000) 4.947 5.965 ( 0.000 -0.793 0.000) 0.793 5.965 ( 0.000 0.793 0.000) 0.793 6.048 ( 0.000 -11.249 0.000) 11.249 6.048 ( 0.000 11.249 0.000) 11.249 6.226 ( 0.000 -4.988 0.000) 4.988 6.226 ( 0.000 4.988 0.000) 4.988 6.567 ( 0.000 -5.909 0.000) 5.909 6.567 ( 0.000 5.909 0.000) 5.909 6.723 ( 0.000 -0.769 0.000) 0.769 6.723 ( 0.000 0.769 0.000) 0.769 6.849 ( 0.000 -5.200 0.000) 5.200 6.849 ( 0.000 5.200 0.000) 5.200 7.059 ( 0.000 -4.060 0.000) 4.060 7.059 ( 0.000 4.060 0.000) 4.060 7.175 ( 0.000 -4.540 0.000) 4.540 7.175 ( 0.000 4.540 0.000) 4.540 7.743 ( 0.000 -1.034 0.000) 1.034 7.743 ( 0.000 1.034 0.000) 1.034 8.108 ( 0.000 -1.197 0.000) 1.197 8.108 ( 0.000 1.197 0.000) 1.197 8.162 ( 0.000 -1.326 0.000) 1.326 8.162 ( 0.000 1.326 0.000) 1.326 8.627 ( 0.000 -1.356 0.000) 1.356 8.627 ( 0.000 1.356 0.000) 1.356 8.844 ( 0.000 -1.679 0.000) 1.679 8.844 ( 0.000 1.679 0.000) 1.679 8.922 ( 0.000 -3.670 0.000) 3.670 8.922 ( 0.000 3.670 0.000) 3.670 9.245 ( 0.000 -4.181 0.000) 4.181 9.245 ( 0.000 4.181 0.000) 4.181 9.546 ( 0.000 -1.802 0.000) 1.802 9.546 ( 0.000 1.802 0.000) 1.802 9.806 ( 0.000 -1.588 0.000) 1.588 9.806 ( 0.000 1.588 0.000) 1.588 10.074 ( 0.000 -2.453 0.000) 2.453 10.074 ( 0.000 2.453 0.000) 2.453 10.469 ( 0.000 -7.887 0.000) 7.887 10.469 ( 0.000 7.887 0.000) 7.887 10.647 ( 0.000 -9.146 0.000) 9.146 10.647 ( 0.000 9.146 0.000) 9.146 14.853 ( 0.000 -6.912 0.000) 6.912 14.853 ( 0.000 6.912 0.000) 6.912 14.914 ( 0.000 -5.989 0.000) 5.989 14.914 ( 0.000 5.989 0.000) 5.989 15.950 ( 0.000 -18.528 0.000) 18.528 15.950 ( 0.000 18.528 0.000) 18.528 15.974 ( 0.000 -14.750 0.000) 14.750 15.974 ( 0.000 14.750 0.000) 14.750 16.421 ( 0.000 -11.540 0.000) 11.540 16.421 ( 0.000 11.540 0.000) 11.540 16.562 ( 0.000 -13.342 0.000) 13.342 16.562 ( 0.000 13.342 0.000) 13.342 21.964 ( 0.000 -0.450 0.000) 0.450 21.964 ( 0.000 0.450 0.000) 0.450 21.996 ( 0.000 -0.498 0.000) 0.498 21.996 ( 0.000 0.498 0.000) 0.498 23.103 ( 0.000 -1.543 0.000) 1.543 23.103 ( 0.000 1.543 0.000) 1.543 23.377 ( 0.000 -0.920 0.000) 0.920 23.377 ( 0.000 0.920 0.000) 0.920 23.681 ( 0.000 -2.434 0.000) 2.434 23.681 ( 0.000 2.434 0.000) 2.434 23.733 ( 0.000 -5.838 0.000) 5.838 23.733 ( 0.000 5.838 0.000) 5.838 24.590 ( 0.000 -0.291 0.000) 0.291 24.590 ( 0.000 0.291 0.000) 0.291 24.618 ( 0.000 -2.339 0.000) 2.339 24.618 ( 0.000 2.339 0.000) 2.339 25.124 ( 0.000 -0.782 0.000) 0.782 25.124 ( 0.000 0.782 0.000) 0.782 25.197 ( 0.000 -2.560 0.000) 2.560 25.197 ( 0.000 2.560 0.000) 2.560 ======================= Grid point 37 (22/84) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -13.659 -11.991 -2.262) 18.315 2.199 ( -13.659 11.991 -2.262) 18.315 2.381 ( -4.866 -4.189 3.300) 7.219 2.381 ( -4.866 4.189 3.300) 7.219 2.430 ( -10.471 -2.779 1.243) 10.905 2.430 ( -10.471 2.779 1.243) 10.905 2.709 ( -3.056 -6.685 -3.287) 8.052 2.709 ( -3.056 6.685 -3.287) 8.052 2.969 ( 1.612 -7.957 2.434) 8.476 2.969 ( 1.612 7.957 2.434) 8.476 3.238 ( 5.483 -3.677 1.878) 6.864 3.238 ( 5.483 3.677 1.878) 6.864 3.453 ( 1.079 -3.987 -2.881) 5.036 3.453 ( 1.079 3.987 -2.881) 5.036 3.557 ( 12.402 -13.208 -3.292) 18.414 3.557 ( 12.402 13.208 -3.292) 18.414 3.752 ( 4.026 -5.999 -0.483) 7.240 3.752 ( 4.026 5.999 -0.483) 7.240 4.128 ( -2.704 -6.187 1.727) 6.970 4.128 ( -2.704 6.187 1.727) 6.970 4.316 ( 0.760 -7.276 1.462) 7.460 4.316 ( 0.760 7.276 1.462) 7.460 4.390 ( 1.067 -3.451 3.003) 4.698 4.390 ( 1.067 3.451 3.003) 4.698 4.595 ( -1.178 -11.461 -1.719) 11.649 4.595 ( -1.178 11.461 -1.719) 11.649 4.793 ( 7.205 -2.623 0.314) 7.674 4.793 ( 7.205 2.623 0.314) 7.674 4.984 ( 4.200 -9.634 1.755) 10.655 4.984 ( 4.200 9.634 1.755) 10.655 5.303 ( -1.787 -3.472 -0.211) 3.910 5.303 ( -1.787 3.472 -0.211) 3.910 5.516 ( -8.616 -0.906 -5.952) 10.511 5.516 ( -8.616 0.906 -5.952) 10.511 5.785 ( 1.356 -2.649 2.255) 3.734 5.785 ( 1.356 2.649 2.255) 3.734 6.016 ( 2.965 -3.120 0.237) 4.311 6.016 ( 2.965 3.120 0.237) 4.311 6.060 ( 1.300 -9.834 0.674) 9.942 6.060 ( 1.300 9.834 0.674) 9.942 6.245 ( 2.072 -4.073 -2.001) 4.988 6.245 ( 2.072 4.073 -2.001) 4.988 6.517 ( -3.087 -2.556 -0.608) 4.054 6.517 ( -3.087 2.556 -0.608) 4.054 6.722 ( -1.958 -4.449 -0.905) 4.944 6.722 ( -1.958 4.449 -0.905) 4.944 6.841 ( -0.746 -3.679 5.687) 6.815 6.841 ( -0.746 3.679 5.687) 6.815 7.064 ( 0.574 -3.182 -1.407) 3.526 7.064 ( 0.574 3.182 -1.407) 3.526 7.181 ( 0.399 -4.741 -0.536) 4.787 7.181 ( 0.399 4.741 -0.536) 4.787 7.640 ( -8.343 -4.857 0.814) 9.688 7.640 ( -8.343 4.857 0.814) 9.688 7.864 ( -13.276 -4.668 -1.399) 14.142 7.864 ( -13.276 4.668 -1.399) 14.142 8.354 ( 8.438 -2.300 0.251) 8.750 8.354 ( 8.438 2.300 0.251) 8.750 8.621 ( -3.416 -1.660 2.310) 4.445 8.621 ( -3.416 1.660 2.310) 4.445 8.821 ( -0.561 -2.344 -3.005) 3.853 8.821 ( -0.561 2.344 -3.005) 3.853 8.959 ( 4.276 -2.436 -3.562) 6.075 8.959 ( 4.276 2.436 -3.562) 6.075 9.210 ( -2.226 -3.752 4.861) 6.532 9.210 ( -2.226 3.752 4.861) 6.532 9.537 ( -1.564 -4.304 -0.463) 4.602 9.537 ( -1.564 4.304 -0.463) 4.602 9.872 ( 5.273 -3.239 0.340) 6.197 9.872 ( 5.273 3.239 0.340) 6.197 10.098 ( 2.678 -4.870 -1.033) 5.653 10.098 ( 2.678 4.870 -1.033) 5.653 10.480 ( 0.438 -7.001 0.499) 7.032 10.480 ( 0.438 7.001 0.499) 7.032 10.667 ( 2.205 -7.491 -0.062) 7.809 10.667 ( 2.205 7.491 -0.062) 7.809 14.852 ( -0.134 -6.024 -0.103) 6.026 14.852 ( -0.134 6.024 -0.103) 6.026 14.908 ( -0.609 -5.078 0.158) 5.117 14.908 ( -0.609 5.078 0.158) 5.117 15.961 ( 1.078 -15.027 -0.113) 15.066 15.961 ( 1.078 15.027 -0.113) 15.066 15.985 ( 1.029 -11.413 0.034) 11.460 15.985 ( 1.029 11.413 0.034) 11.460 16.410 ( -1.024 -11.163 -0.001) 11.210 16.410 ( -1.024 11.163 -0.001) 11.210 16.555 ( -0.702 -12.885 -0.014) 12.904 16.555 ( -0.702 12.885 -0.014) 12.904 21.964 ( -0.020 -1.003 0.016) 1.003 21.964 ( -0.020 1.003 0.016) 1.003 21.993 ( -0.267 -0.875 -0.031) 0.915 21.993 ( -0.267 0.875 -0.031) 0.915 23.109 ( 0.557 -1.101 0.057) 1.235 23.109 ( 0.557 1.101 0.057) 1.235 23.373 ( -0.215 -0.381 -0.518) 0.678 23.373 ( -0.215 0.381 -0.518) 0.678 23.671 ( -0.445 -3.737 -0.630) 3.816 23.671 ( -0.445 3.737 -0.630) 3.816 23.739 ( 0.005 -4.361 1.108) 4.500 23.739 ( 0.005 4.361 1.108) 4.500 24.581 ( -0.710 -0.748 -0.225) 1.056 24.581 ( -0.710 0.748 -0.225) 1.056 24.618 ( -0.003 -1.980 0.259) 1.997 24.618 ( -0.003 1.980 0.259) 1.997 25.127 ( 0.295 -1.449 -0.335) 1.517 25.127 ( 0.295 1.449 -0.335) 1.517 25.207 ( 0.925 -2.321 0.287) 2.515 25.207 ( 0.925 2.321 0.287) 2.515 ======================= Grid point 39 (23/84) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -12.360 -11.913 -0.854) 17.187 1.909 ( -12.360 11.913 -0.854) 17.187 2.097 ( -14.071 -6.708 0.096) 15.588 2.097 ( -14.071 6.708 0.096) 15.588 2.403 ( -0.003 -5.674 2.810) 6.331 2.403 ( -0.003 5.674 2.810) 6.331 2.723 ( 3.338 -4.947 -2.341) 6.410 2.723 ( 3.338 4.947 -2.341) 6.410 3.026 ( 2.101 -7.776 2.485) 8.429 3.026 ( 2.101 7.776 2.485) 8.429 3.300 ( -0.160 -6.365 1.460) 6.533 3.300 ( -0.160 6.365 1.460) 6.533 3.477 ( 2.691 -2.672 -4.364) 5.781 3.477 ( 2.691 2.672 -4.364) 5.781 3.656 ( 2.472 -2.221 -5.026) 6.025 3.656 ( 2.472 2.221 -5.026) 6.025 3.786 ( -3.390 -5.144 2.170) 6.532 3.786 ( -3.390 5.144 2.170) 6.532 4.164 ( 6.313 -8.119 2.386) 10.558 4.164 ( 6.313 8.119 2.386) 10.558 4.347 ( 2.289 -3.142 4.206) 5.727 4.347 ( 2.289 3.142 4.206) 5.727 4.439 ( -1.080 -4.288 -2.836) 5.253 4.439 ( -1.080 4.288 -2.836) 5.253 4.644 ( 6.633 -8.720 0.978) 11.000 4.644 ( 6.633 8.720 0.978) 11.000 4.977 ( 9.471 -4.555 3.923) 11.217 4.977 ( 9.471 4.555 3.923) 11.217 5.058 ( 2.657 -7.844 2.837) 8.754 5.058 ( 2.657 7.844 2.837) 8.754 5.227 ( -5.598 -3.532 -3.217) 7.360 5.227 ( -5.598 3.532 -3.217) 7.360 5.343 ( -3.930 -5.143 -4.637) 7.962 5.343 ( -3.930 5.143 -4.637) 7.962 5.796 ( -1.433 -2.589 -1.287) 3.227 5.796 ( -1.434 2.589 -1.287) 3.227 5.934 ( -8.214 -6.730 -3.218) 11.096 5.934 ( -8.214 6.730 -3.218) 11.096 6.173 ( 6.757 -3.054 3.403) 8.159 6.173 ( 6.757 3.054 3.403) 8.159 6.297 ( 4.390 -4.217 -2.062) 6.427 6.297 ( 4.390 4.217 -2.062) 6.427 6.470 ( -1.804 -3.174 -1.130) 3.822 6.470 ( -1.804 3.174 -1.130) 3.822 6.648 ( -4.868 -3.896 1.521) 6.418 6.648 ( -4.868 3.896 1.521) 6.418 6.869 ( 0.286 -2.220 8.437) 8.728 6.869 ( 0.286 2.220 8.437) 8.728 7.049 ( -2.155 -3.037 -0.794) 3.807 7.049 ( -2.155 3.037 -0.794) 3.807 7.177 ( 0.371 -4.496 -3.508) 5.715 7.177 ( 0.371 4.496 -3.508) 5.715 7.513 ( -3.460 -4.297 -1.826) 5.811 7.513 ( -3.460 4.297 -1.826) 5.811 7.629 ( -8.767 -4.353 0.099) 9.789 7.629 ( -8.767 4.353 0.099) 9.789 8.443 ( -1.969 -3.278 1.966) 4.300 8.443 ( -1.969 3.278 1.966) 4.300 8.551 ( -0.056 -2.617 -0.657) 2.698 8.551 ( -0.056 2.617 -0.657) 2.698 8.797 ( -0.886 -1.754 -1.994) 2.800 8.797 ( -0.886 1.754 -1.994) 2.800 9.005 ( 1.544 -1.389 -2.741) 3.439 9.005 ( 1.544 1.389 -2.741) 3.439 9.263 ( 3.833 -4.644 5.109) 7.897 9.263 ( 3.833 4.644 5.109) 7.897 9.490 ( -2.083 -5.681 -0.696) 6.091 9.490 ( -2.083 5.681 -0.696) 6.091 9.960 ( 3.205 -4.474 -1.275) 5.649 9.960 ( 3.205 4.474 -1.275) 5.649 10.157 ( 2.604 -5.551 0.709) 6.172 10.157 ( 2.604 5.551 0.709) 6.172 10.479 ( -0.319 -7.807 -0.499) 7.830 10.479 ( -0.319 7.807 -0.499) 7.830 10.723 ( 2.673 -5.432 0.373) 6.066 10.723 ( 2.673 5.432 0.373) 6.066 14.848 ( -0.144 -3.741 -0.135) 3.746 14.848 ( -0.144 3.741 -0.135) 3.746 14.896 ( -0.585 -2.830 0.188) 2.896 14.896 ( -0.585 2.830 0.188) 2.896 15.984 ( 1.120 -12.885 -0.165) 12.934 15.984 ( 1.120 12.885 -0.165) 12.934 16.009 ( 1.149 -10.899 0.087) 10.959 16.009 ( 1.149 10.899 0.087) 10.959 16.386 ( -1.134 -10.367 0.014) 10.429 16.386 ( -1.134 10.367 0.014) 10.429 16.539 ( -0.760 -12.022 -0.022) 12.046 16.539 ( -0.760 12.022 -0.022) 12.046 21.964 ( 0.010 -1.672 0.025) 1.672 21.964 ( 0.010 1.672 0.025) 1.672 21.987 ( -0.259 -1.612 -0.047) 1.633 21.987 ( -0.259 1.612 -0.047) 1.633 23.121 ( 0.532 -0.456 0.044) 0.702 23.121 ( 0.532 0.456 0.044) 0.702 23.366 ( -0.215 -1.810 -0.441) 1.875 23.366 ( -0.215 1.810 -0.441) 1.875 23.666 ( 0.223 -5.948 -0.554) 5.978 23.666 ( 0.223 5.948 -0.554) 5.978 23.737 ( -0.683 -1.669 0.966) 2.046 23.737 ( -0.683 1.669 0.966) 2.046 24.565 ( -0.604 -1.051 -0.257) 1.239 24.565 ( -0.604 1.051 -0.257) 1.239 24.620 ( 0.027 -1.122 0.309) 1.164 24.620 ( 0.027 1.122 0.309) 1.164 25.130 ( 0.127 -1.215 -0.405) 1.287 25.130 ( 0.127 1.215 -0.405) 1.287 25.230 ( 0.962 -2.138 0.345) 2.370 25.230 ( 0.962 2.138 0.345) 2.370 ======================= Grid point 41 (24/84) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 -6.166 0.000) 6.166 1.774 ( 0.000 6.166 -0.000) 6.166 1.947 ( 0.000 -1.637 0.000) 1.637 1.947 ( 0.000 1.637 -0.000) 1.637 2.412 ( 0.000 -2.818 0.000) 2.818 2.412 ( 0.000 2.818 0.000) 2.818 2.760 ( 0.000 -3.272 0.000) 3.272 2.760 ( 0.000 3.272 -0.000) 3.272 3.053 ( 0.000 -7.691 0.000) 7.691 3.053 ( 0.000 7.691 -0.000) 7.691 3.297 ( 0.000 -8.088 -0.000) 8.088 3.297 ( 0.000 8.088 0.000) 8.088 3.482 ( 0.000 -6.278 0.000) 6.278 3.482 ( 0.000 6.278 0.000) 6.278 3.690 ( -0.000 -2.552 0.000) 2.552 3.690 ( 0.000 2.552 -0.000) 2.552 3.727 ( 0.000 -8.127 -0.000) 8.127 3.727 ( -0.000 8.127 0.000) 8.127 4.282 ( 0.000 -4.033 0.000) 4.033 4.282 ( 0.000 4.033 0.000) 4.033 4.311 ( -0.000 -11.803 -0.000) 11.803 4.311 ( -0.000 11.803 -0.000) 11.803 4.471 ( -0.000 -5.710 -0.000) 5.710 4.471 ( 0.000 5.710 0.000) 5.710 4.721 ( 0.000 -5.863 -0.000) 5.863 4.721 ( 0.000 5.863 0.000) 5.863 5.052 ( 0.000 -5.945 0.000) 5.945 5.052 ( -0.000 5.945 -0.000) 5.945 5.078 ( -0.000 -3.404 -0.000) 3.404 5.078 ( 0.000 3.404 0.000) 3.404 5.254 ( 0.000 -0.514 -0.000) 0.514 5.254 ( 0.000 0.514 0.000) 0.514 5.287 ( 0.000 -4.814 0.000) 4.814 5.287 ( -0.000 4.814 -0.000) 4.814 5.701 ( -0.000 -5.530 -0.000) 5.530 5.701 ( 0.000 5.530 -0.000) 5.530 5.847 ( 0.000 -8.224 0.000) 8.224 5.847 ( -0.000 8.224 -0.000) 8.224 6.273 ( 0.000 -1.931 0.000) 1.931 6.273 ( 0.000 1.931 -0.000) 1.931 6.358 ( -0.000 -0.924 0.000) 0.924 6.358 ( 0.000 0.924 -0.000) 0.924 6.433 ( 0.000 -4.386 -0.000) 4.386 6.433 ( -0.000 4.386 0.000) 4.386 6.581 ( 0.000 -1.325 0.000) 1.325 6.581 ( -0.000 1.325 -0.000) 1.325 6.923 ( 0.000 -2.467 0.000) 2.467 6.923 ( 0.000 2.467 -0.000) 2.467 6.992 ( 0.000 -1.417 -0.000) 1.417 6.992 ( 0.000 1.417 0.000) 1.417 7.172 ( 0.000 -2.604 0.000) 2.604 7.172 ( 0.000 2.604 -0.000) 2.604 7.472 ( -0.000 -6.019 0.000) 6.019 7.472 ( 0.000 6.019 0.000) 6.019 7.550 ( 0.000 -7.021 -0.000) 7.021 7.550 ( -0.000 7.021 0.000) 7.021 8.398 ( 0.000 -3.209 0.000) 3.209 8.398 ( 0.000 3.209 -0.000) 3.209 8.569 ( 0.000 -4.435 0.000) 4.435 8.569 ( 0.000 4.435 0.000) 4.435 8.781 ( -0.000 -1.428 -0.000) 1.428 8.781 ( 0.000 1.428 0.000) 1.428 9.012 ( 0.000 -0.906 -0.000) 0.906 9.012 ( 0.000 0.906 0.000) 0.906 9.323 ( 0.000 -4.937 0.000) 4.937 9.323 ( 0.000 4.937 0.000) 4.937 9.468 ( 0.000 -5.891 0.000) 5.891 9.468 ( 0.000 5.891 -0.000) 5.891 9.987 ( 0.000 -3.549 0.000) 3.549 9.987 ( 0.000 3.549 -0.000) 3.549 10.186 ( 0.000 -2.025 -0.000) 2.025 10.186 ( 0.000 2.025 0.000) 2.025 10.474 ( 0.000 -7.983 0.000) 7.983 10.474 ( 0.000 7.983 0.000) 7.983 10.753 ( 0.000 -5.116 -0.000) 5.116 10.753 ( 0.000 5.116 0.000) 5.116 14.846 ( 0.000 -1.794 -0.000) 1.794 14.846 ( 0.000 1.794 0.000) 1.794 14.890 ( 0.000 -0.255 -0.000) 0.255 14.890 ( 0.000 0.255 -0.000) 0.255 15.996 ( 0.000 -15.462 -0.000) 15.462 15.996 ( 0.000 15.462 0.000) 15.462 16.023 ( 0.000 -14.476 -0.000) 14.476 16.023 ( -0.000 14.476 0.000) 14.476 16.373 ( 0.000 -9.900 -0.000) 9.900 16.373 ( 0.000 9.900 0.000) 9.900 16.530 ( 0.000 -11.605 -0.000) 11.605 16.530 ( 0.000 11.605 -0.000) 11.605 21.964 ( 0.000 -1.783 -0.000) 1.783 21.964 ( 0.000 1.783 0.000) 1.783 21.984 ( 0.000 -1.837 -0.000) 1.837 21.984 ( 0.000 1.837 0.000) 1.837 23.127 ( 0.000 -0.651 -0.000) 0.651 23.127 ( 0.000 0.651 -0.000) 0.651 23.362 ( 0.000 -2.531 0.000) 2.531 23.362 ( 0.000 2.531 0.000) 2.531 23.669 ( 0.000 -8.131 0.000) 8.131 23.669 ( 0.000 8.131 0.000) 8.131 23.730 ( 0.000 -1.508 0.000) 1.508 23.730 ( 0.000 1.508 0.000) 1.508 24.558 ( 0.000 -1.124 -0.000) 1.124 24.558 ( 0.000 1.124 -0.000) 1.124 24.621 ( 0.000 -0.208 -0.000) 0.208 24.621 ( 0.000 0.208 0.000) 0.208 25.130 ( 0.000 -0.368 0.000) 0.368 25.130 ( 0.000 0.368 -0.000) 0.368 25.241 ( 0.000 -2.056 -0.000) 2.056 25.241 ( 0.000 2.056 0.000) 2.056 ======================= Grid point 77 (25/84) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -1.650 0.000 22.275) 22.336 0.512 ( -3.427 0.000 24.420) 24.659 0.928 ( 3.087 0.000 41.589) 41.704 1.194 ( 1.611 0.000 -11.384) 11.497 1.364 ( 2.356 0.000 -10.179) 10.448 2.349 ( -0.535 0.000 -16.957) 16.966 2.401 ( -5.174 0.000 2.473) 5.734 2.497 ( 0.659 0.000 -0.803) 1.039 2.669 ( 5.679 0.000 -5.125) 7.650 2.676 ( 3.464 0.000 -1.976) 3.988 3.068 ( 5.773 0.000 0.515) 5.796 3.099 ( -0.282 0.000 1.545) 1.571 3.206 ( -4.868 0.000 -2.286) 5.378 3.344 ( -6.274 0.000 -6.497) 9.032 3.410 ( -8.485 0.000 6.252) 10.539 3.693 ( 5.750 0.000 0.589) 5.780 4.003 ( -2.780 0.000 -3.954) 4.833 4.188 ( -1.272 0.000 10.506) 10.583 4.220 ( -1.785 0.000 11.900) 12.034 4.259 ( 1.588 0.000 -9.588) 9.719 4.520 ( 7.718 0.000 -0.524) 7.736 4.668 ( 4.593 0.000 -1.944) 4.987 4.869 ( -3.317 0.000 2.261) 4.015 4.876 ( -3.852 0.000 -0.239) 3.860 5.018 ( 3.137 0.000 2.345) 3.917 5.086 ( 2.184 0.000 2.527) 3.340 5.106 ( 2.660 0.000 -2.424) 3.599 5.175 ( -4.216 0.000 1.986) 4.661 5.252 ( 2.985 0.000 -6.399) 7.061 5.419 ( 2.519 0.000 -1.365) 2.865 5.516 ( 0.873 0.000 -3.189) 3.307 5.527 ( -12.121 0.000 -3.728) 12.681 5.656 ( 2.900 0.000 -0.249) 2.910 5.674 ( -4.632 0.000 -1.483) 4.863 5.777 ( 1.819 0.000 1.480) 2.345 5.797 ( 0.673 0.000 -1.654) 1.786 5.955 ( 1.445 0.000 1.098) 1.815 5.959 ( -1.702 0.000 1.071) 2.011 6.103 ( -4.889 0.000 -0.980) 4.986 6.159 ( -0.045 0.000 -1.495) 1.496 6.259 ( 0.685 0.000 2.432) 2.527 6.339 ( -2.484 0.000 -1.340) 2.823 6.384 ( 1.220 0.000 5.637) 5.768 6.513 ( -4.090 0.000 3.773) 5.564 6.516 ( 0.914 0.000 1.682) 1.915 6.631 ( -0.353 0.000 -4.379) 4.393 6.708 ( 7.474 0.000 6.406) 9.843 6.936 ( 0.791 0.000 2.705) 2.818 7.009 ( -0.909 0.000 -2.050) 2.242 7.118 ( -6.771 0.000 -5.628) 8.804 7.159 ( -5.171 0.000 1.211) 5.311 7.326 ( 7.901 0.000 2.566) 8.307 7.374 ( -4.340 0.000 -6.386) 7.722 7.477 ( -6.351 0.000 -5.265) 8.250 7.796 ( -1.275 0.000 7.817) 7.920 8.082 ( 10.778 0.000 -3.025) 11.194 8.223 ( -1.338 0.000 1.998) 2.404 8.242 ( -0.261 0.000 0.551) 0.610 8.438 ( -1.791 0.000 2.130) 2.783 8.573 ( -0.827 0.000 -3.317) 3.419 8.671 ( -12.086 0.000 1.083) 12.134 8.768 ( 0.562 0.000 -2.973) 3.026 8.908 ( -2.262 0.000 3.199) 3.918 9.137 ( 3.735 0.000 -6.889) 7.836 9.183 ( -0.401 0.000 6.134) 6.147 9.348 ( 8.048 0.000 1.842) 8.256 9.476 ( 17.223 0.000 0.008) 17.223 9.524 ( -0.521 0.000 -2.101) 2.165 9.715 ( 6.725 0.000 0.346) 6.734 9.839 ( -6.705 0.000 -2.770) 7.255 9.951 ( -1.533 0.000 2.611) 3.028 9.988 ( 13.853 0.000 3.701) 14.339 10.056 ( -1.030 0.000 -1.551) 1.862 10.137 ( -0.198 0.000 -2.321) 2.330 11.068 ( 2.236 0.000 3.635) 4.268 11.246 ( -2.686 0.000 -3.230) 4.201 13.789 ( -0.680 0.000 1.080) 1.276 13.842 ( 0.648 0.000 -0.895) 1.105 13.878 ( -0.213 0.000 -0.061) 0.222 13.882 ( 0.218 0.000 -0.141) 0.259 15.342 ( -2.381 0.000 1.540) 2.835 15.454 ( 6.929 0.000 -3.564) 7.792 15.623 ( -7.799 0.000 3.351) 8.488 15.727 ( 4.033 0.000 -1.462) 4.289 16.571 ( -5.317 0.000 1.295) 5.472 16.630 ( 1.384 0.000 -0.964) 1.687 17.032 ( -19.992 0.000 0.152) 19.993 17.042 ( 2.619 0.000 -0.244) 2.630 21.859 ( -0.101 0.000 0.315) 0.330 21.881 ( -0.218 0.000 -0.548) 0.590 22.044 ( -4.954 0.000 1.145) 5.084 22.098 ( -0.820 0.000 -0.998) 1.292 22.352 ( -0.425 0.000 0.081) 0.433 22.353 ( 0.411 0.000 0.049) 0.414 23.145 ( -0.567 0.000 1.002) 1.151 23.204 ( 0.673 0.000 -1.360) 1.517 23.469 ( 0.330 0.000 0.958) 1.013 23.502 ( -0.384 0.000 -0.383) 0.543 24.165 ( -0.101 0.000 0.077) 0.127 24.171 ( 0.228 0.000 -0.085) 0.243 24.492 ( 3.873 0.000 2.123) 4.416 24.571 ( -1.489 0.000 -0.885) 1.733 24.756 ( -1.631 0.000 0.336) 1.665 24.776 ( 1.785 0.000 -0.560) 1.871 24.980 ( -0.839 0.000 -0.425) 0.941 24.989 ( 0.483 0.000 -0.738) 0.882 26.001 ( -2.068 0.000 2.203) 3.021 26.113 ( 16.153 0.000 -2.144) 16.295 ======================= Grid point 78 (26/84) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 12.589 0.000 19.859) 23.513 0.801 ( 17.930 0.000 16.557) 24.405 1.359 ( 17.909 0.000 -10.449) 20.735 1.376 ( 22.146 0.000 1.101) 22.174 1.528 ( 17.528 0.000 10.403) 20.382 2.109 ( -11.493 0.000 -14.261) 18.316 2.183 ( -16.216 0.000 3.327) 16.554 2.360 ( -11.192 0.000 0.684) 11.213 2.669 ( -3.082 0.000 -2.199) 3.786 2.673 ( -2.525 0.000 -5.599) 6.142 3.141 ( -3.431 0.000 -4.751) 5.861 3.245 ( -0.485 0.000 -3.547) 3.580 3.258 ( 6.866 0.000 -0.706) 6.902 3.263 ( 11.375 0.000 -0.628) 11.392 3.427 ( 11.513 0.000 5.670) 12.834 3.754 ( -0.088 0.000 8.779) 8.779 4.012 ( -0.794 0.000 -4.132) 4.208 4.054 ( -9.882 0.000 4.315) 10.783 4.244 ( 4.007 0.000 4.446) 5.985 4.314 ( 5.843 0.000 -4.987) 7.681 4.538 ( -4.991 0.000 1.294) 5.156 4.673 ( -2.357 0.000 -4.823) 5.368 4.698 ( -11.420 0.000 3.713) 12.008 4.844 ( -1.305 0.000 -0.565) 1.422 4.962 ( -6.360 0.000 3.015) 7.038 5.035 ( -10.560 0.000 -4.224) 11.373 5.138 ( -5.111 0.000 -4.953) 7.117 5.196 ( 1.669 0.000 -4.849) 5.128 5.198 ( 4.305 0.000 -1.923) 4.715 5.417 ( 4.733 0.000 5.321) 7.122 5.455 ( -2.204 0.000 -0.216) 2.215 5.567 ( -4.057 0.000 1.631) 4.373 5.639 ( -2.014 0.000 -2.888) 3.521 5.676 ( 6.671 0.000 1.895) 6.935 5.814 ( 0.758 0.000 1.689) 1.851 5.845 ( 3.687 0.000 0.562) 3.729 5.922 ( -0.826 0.000 -0.824) 1.167 5.941 ( -0.250 0.000 -0.751) 0.791 6.096 ( 2.784 0.000 2.132) 3.507 6.124 ( -2.773 0.000 -0.472) 2.812 6.201 ( -7.835 0.000 -0.890) 7.886 6.243 ( -0.399 0.000 1.977) 2.017 6.498 ( 4.368 0.000 5.493) 7.018 6.542 ( 1.752 0.000 1.501) 2.307 6.572 ( 8.943 0.000 2.729) 9.350 6.630 ( 0.357 0.000 -2.452) 2.478 6.850 ( -3.153 0.000 0.176) 3.158 6.908 ( -9.889 0.000 -2.129) 10.116 6.958 ( 9.993 0.000 4.558) 10.983 7.075 ( -2.189 0.000 4.393) 4.908 7.135 ( 8.630 0.000 -1.069) 8.696 7.262 ( -3.445 0.000 -6.454) 7.316 7.460 ( -0.767 0.000 -0.790) 1.101 7.488 ( 7.280 0.000 -1.189) 7.376 7.763 ( 0.625 0.000 4.927) 4.966 8.045 ( -10.532 0.000 -3.739) 11.176 8.132 ( -8.300 0.000 1.207) 8.387 8.176 ( -8.156 0.000 0.985) 8.215 8.310 ( -3.830 0.000 13.248) 13.790 8.414 ( -4.110 0.000 -0.810) 4.189 8.554 ( -11.099 0.000 -5.416) 12.350 8.654 ( 5.232 0.000 -2.712) 5.893 8.901 ( -2.198 0.000 4.321) 4.848 9.071 ( -3.996 0.000 -5.595) 6.875 9.174 ( -3.909 0.000 9.032) 9.842 9.495 ( 6.153 0.000 2.879) 6.793 9.606 ( 8.491 0.000 -0.328) 8.497 9.632 ( 2.144 0.000 -10.411) 10.629 9.722 ( 0.940 0.000 -2.556) 2.724 9.802 ( 0.020 0.000 0.899) 0.899 9.964 ( 0.314 0.000 2.854) 2.871 10.056 ( -0.993 0.000 -2.097) 2.321 10.320 ( 15.383 0.000 -4.581) 16.051 10.874 ( 38.619 0.000 -24.250) 45.602 11.143 ( 2.984 0.000 5.039) 5.857 11.190 ( -0.917 0.000 -4.287) 4.384 13.782 ( 0.133 0.000 0.364) 0.388 13.844 ( -0.120 0.000 -0.804) 0.813 13.868 ( -0.583 0.000 -0.008) 0.583 13.881 ( -0.264 0.000 -0.032) 0.266 15.267 ( -4.705 0.000 0.145) 4.707 15.290 ( -13.961 0.000 5.252) 14.916 15.612 ( 4.710 0.000 -1.902) 5.079 15.747 ( -1.287 0.000 0.032) 1.287 16.589 ( 4.484 0.000 0.585) 4.522 16.711 ( 5.676 0.000 -0.602) 5.707 16.811 ( -5.376 0.000 6.611) 8.521 17.084 ( 0.544 0.000 2.177) 2.243 21.863 ( 0.156 0.000 0.509) 0.532 21.883 ( 0.283 0.000 -0.460) 0.541 22.253 ( 11.777 0.000 1.270) 11.845 22.349 ( 0.027 0.000 -0.115) 0.118 22.386 ( 5.797 0.000 1.474) 5.981 22.487 ( 29.396 0.000 -15.361) 33.167 23.170 ( 3.048 0.000 -2.445) 3.908 23.197 ( -0.967 0.000 -0.550) 1.113 23.495 ( 0.285 0.000 -0.575) 0.642 23.508 ( 3.469 0.000 0.855) 3.572 24.136 ( -2.645 0.000 0.621) 2.717 24.149 ( -2.633 0.000 -0.310) 2.651 24.537 ( -0.963 0.000 -1.804) 2.045 24.581 ( 3.986 0.000 0.944) 4.096 24.721 ( -1.680 0.000 -0.510) 1.756 24.797 ( -0.001 0.000 0.161) 0.161 24.986 ( 1.516 0.000 -0.899) 1.763 25.029 ( 3.865 0.000 -0.199) 3.870 25.867 ( -10.673 0.000 -1.725) 10.811 25.997 ( -16.631 0.000 5.136) 17.406 ======================= Grid point 79 (27/84) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 12.217 0.000 14.238) 18.761 1.251 ( 19.850 0.000 10.386) 22.403 1.628 ( 7.264 0.000 -9.577) 12.020 1.656 ( 7.130 0.000 -9.486) 11.867 1.851 ( -6.529 0.000 5.204) 8.350 1.897 ( -6.234 0.000 -2.982) 6.911 2.020 ( 11.463 0.000 3.015) 11.853 2.163 ( -3.289 0.000 -0.012) 3.289 2.590 ( -0.121 0.000 -5.691) 5.692 2.605 ( 1.742 0.000 -3.261) 3.697 2.977 ( -13.159 0.000 -0.200) 13.161 3.287 ( 0.648 0.000 8.040) 8.066 3.357 ( 3.697 0.000 2.237) 4.321 3.391 ( -0.215 0.000 -4.139) 4.144 3.699 ( 12.222 0.000 -2.152) 12.410 3.821 ( -0.750 0.000 9.438) 9.468 3.915 ( -1.601 0.000 3.575) 3.917 4.020 ( 6.672 0.000 -1.403) 6.818 4.328 ( -1.597 0.000 0.452) 1.660 4.397 ( 3.302 0.000 -4.750) 5.785 4.427 ( -3.043 0.000 -8.155) 8.704 4.545 ( -3.479 0.000 3.431) 4.886 4.581 ( -4.086 0.000 -0.228) 4.093 4.751 ( -6.341 0.000 -1.563) 6.531 4.851 ( -4.720 0.000 -5.930) 7.580 4.878 ( -1.923 0.000 -2.566) 3.207 4.986 ( -4.225 0.000 2.855) 5.099 5.195 ( -6.374 0.000 1.576) 6.566 5.218 ( -3.001 0.000 -1.506) 3.358 5.344 ( -2.263 0.000 3.067) 3.812 5.471 ( -3.015 0.000 -4.504) 5.420 5.541 ( 3.216 0.000 5.363) 6.254 5.567 ( -2.385 0.000 -0.379) 2.415 5.806 ( 2.815 0.000 2.512) 3.773 5.821 ( -0.328 0.000 2.346) 2.369 5.916 ( -0.079 0.000 -0.727) 0.731 5.919 ( 4.491 0.000 0.064) 4.492 5.989 ( 1.251 0.000 1.461) 1.924 6.041 ( -2.967 0.000 1.451) 3.303 6.117 ( -0.092 0.000 -0.346) 0.358 6.168 ( 3.442 0.000 -4.286) 5.497 6.317 ( 5.618 0.000 -0.836) 5.680 6.573 ( -2.974 0.000 1.235) 3.221 6.609 ( -5.001 0.000 -6.994) 8.598 6.631 ( 3.316 0.000 0.965) 3.453 6.681 ( 4.652 0.000 3.969) 6.115 6.791 ( 3.995 0.000 4.827) 6.266 6.812 ( -2.419 0.000 2.378) 3.392 7.081 ( 0.639 0.000 0.441) 0.777 7.101 ( 1.225 0.000 0.247) 1.249 7.131 ( -7.408 0.000 0.490) 7.425 7.336 ( 11.892 0.000 -0.572) 11.906 7.443 ( 5.294 0.000 -0.314) 5.303 7.616 ( 2.578 0.000 -1.402) 2.935 7.857 ( 0.269 0.000 0.061) 0.276 7.884 ( -2.304 0.000 -3.447) 4.146 7.942 ( -5.493 0.000 -0.765) 5.546 7.973 ( -10.426 0.000 1.532) 10.538 8.198 ( -7.851 0.000 -6.403) 10.131 8.254 ( -7.678 0.000 4.296) 8.798 8.544 ( 3.903 0.000 1.998) 4.385 8.768 ( 7.256 0.000 -2.551) 7.692 8.837 ( -6.122 0.000 5.332) 8.118 8.961 ( -4.600 0.000 -5.513) 7.180 9.138 ( -3.963 0.000 10.812) 11.516 9.620 ( 1.683 0.000 -8.842) 9.001 9.632 ( 5.700 0.000 2.710) 6.311 9.768 ( 3.649 0.000 4.568) 5.847 9.798 ( 7.644 0.000 -1.961) 7.892 9.801 ( -1.032 0.000 1.683) 1.974 9.985 ( 0.856 0.000 1.606) 1.820 10.004 ( -3.055 0.000 -2.480) 3.935 10.589 ( 12.208 0.000 -2.219) 12.409 11.102 ( 0.132 0.000 -7.270) 7.271 11.213 ( 1.160 0.000 4.679) 4.821 11.275 ( 9.850 0.000 -8.772) 13.190 13.801 ( 1.602 0.000 -0.445) 1.662 13.835 ( -0.278 0.000 -0.410) 0.495 13.858 ( -0.338 0.000 -0.237) 0.413 13.871 ( -0.826 0.000 -0.027) 0.827 15.127 ( -4.898 0.000 2.302) 5.412 15.181 ( -3.514 0.000 -0.182) 3.519 15.676 ( 2.258 0.000 -1.582) 2.757 15.712 ( -1.582 0.000 -0.427) 1.638 16.669 ( 2.643 0.000 0.900) 2.792 16.790 ( -0.175 0.000 5.393) 5.396 16.803 ( 3.765 0.000 -1.827) 4.185 17.069 ( -2.634 0.000 1.111) 2.858 21.868 ( 0.038 0.000 0.509) 0.511 21.888 ( 0.336 0.000 -0.454) 0.564 22.330 ( 0.391 0.000 0.388) 0.551 22.350 ( 0.080 0.000 -0.177) 0.194 22.702 ( 15.291 0.000 7.583) 17.068 22.844 ( 11.912 0.000 -4.545) 12.750 23.156 ( -3.187 0.000 0.094) 3.188 23.243 ( 6.506 0.000 -7.943) 10.267 23.532 ( 4.690 0.000 -1.555) 4.941 23.631 ( 8.248 0.000 1.164) 8.329 24.055 ( -6.377 0.000 -1.160) 6.482 24.077 ( -3.782 0.000 2.031) 4.293 24.527 ( 0.906 0.000 -1.190) 1.495 24.645 ( 1.288 0.000 1.260) 1.802 24.697 ( 0.387 0.000 -1.399) 1.451 24.773 ( -2.302 0.000 0.262) 2.317 25.023 ( 2.444 0.000 -1.131) 2.693 25.130 ( 5.655 0.000 0.029) 5.656 25.627 ( -9.792 0.000 -5.320) 11.144 25.698 ( -15.402 0.000 5.443) 16.335 ======================= Grid point 80 (28/84) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -3.424 0.000 5.071) 6.119 1.501 ( -0.249 0.000 9.248) 9.251 1.542 ( -13.644 0.000 0.283) 13.646 1.643 ( 13.842 0.000 6.332) 15.221 1.719 ( -2.287 0.000 -5.187) 5.668 1.988 ( 8.716 0.000 -0.754) 8.749 2.038 ( -5.978 0.000 -5.951) 8.435 2.252 ( 5.888 0.000 -4.162) 7.211 2.637 ( -18.256 0.000 -1.261) 18.300 2.757 ( 17.573 0.000 3.417) 17.902 2.781 ( 9.443 0.000 -7.279) 11.922 2.945 ( -21.591 0.000 -2.311) 21.714 3.467 ( 4.768 0.000 8.885) 10.084 3.536 ( 7.043 0.000 5.426) 8.891 3.726 ( -7.990 0.000 1.659) 8.161 3.852 ( 5.610 0.000 -6.622) 8.679 3.940 ( -3.826 0.000 4.548) 5.943 4.207 ( 8.122 0.000 -6.038) 10.121 4.267 ( -1.488 0.000 1.626) 2.204 4.314 ( -8.781 0.000 -1.828) 8.969 4.446 ( -1.835 0.000 -0.307) 1.860 4.544 ( 10.769 0.000 1.158) 10.832 4.600 ( 6.855 0.000 2.389) 7.259 4.661 ( -11.266 0.000 -1.830) 11.414 4.693 ( 1.465 0.000 -5.141) 5.346 4.806 ( -5.057 0.000 -5.352) 7.363 5.093 ( -0.873 0.000 0.659) 1.094 5.094 ( 9.620 0.000 6.115) 11.399 5.146 ( -0.418 0.000 0.857) 0.953 5.364 ( -2.157 0.000 -0.641) 2.250 5.427 ( 2.646 0.000 -2.290) 3.499 5.522 ( -2.836 0.000 -0.693) 2.919 5.616 ( 1.499 0.000 8.724) 8.852 5.839 ( -0.302 0.000 2.995) 3.011 5.840 ( 0.749 0.000 2.894) 2.989 5.932 ( 2.629 0.000 2.011) 3.310 5.967 ( -1.990 0.000 2.680) 3.338 6.013 ( -1.221 0.000 1.173) 1.693 6.013 ( 2.640 0.000 -4.030) 4.818 6.090 ( -1.484 0.000 -1.504) 2.113 6.233 ( 4.044 0.000 -6.114) 7.330 6.272 ( -10.168 0.000 -11.675) 15.482 6.490 ( -3.867 0.000 -0.379) 3.886 6.491 ( 3.209 0.000 -2.396) 4.005 6.693 ( -0.167 0.000 1.928) 1.935 6.749 ( -1.457 0.000 -0.373) 1.504 6.782 ( -0.661 0.000 4.468) 4.517 6.928 ( -3.389 0.000 3.960) 5.213 7.028 ( 7.920 0.000 7.183) 10.692 7.085 ( -0.140 0.000 -0.591) 0.607 7.136 ( 1.175 0.000 0.709) 1.372 7.521 ( -2.099 0.000 -0.722) 2.220 7.578 ( 3.277 0.000 -7.026) 7.753 7.586 ( -1.669 0.000 -0.801) 1.851 7.696 ( 0.863 0.000 1.120) 1.414 7.752 ( -3.788 0.000 -0.322) 3.802 7.968 ( -0.895 0.000 1.393) 1.656 8.014 ( -1.720 0.000 0.055) 1.721 8.103 ( -3.123 0.000 -1.070) 3.301 8.128 ( 8.531 0.000 -4.088) 9.460 8.644 ( 4.577 0.000 2.779) 5.355 8.722 ( -7.453 0.000 5.291) 9.140 8.834 ( -5.136 0.000 -4.930) 7.119 8.911 ( 7.685 0.000 -2.832) 8.190 9.123 ( -2.691 0.000 10.928) 11.255 9.601 ( 0.501 0.000 -8.476) 8.491 9.719 ( -0.459 0.000 3.299) 3.330 9.791 ( 1.089 0.000 2.394) 2.630 9.811 ( -0.560 0.000 3.487) 3.532 9.908 ( -3.434 0.000 -2.777) 4.416 9.937 ( 4.234 0.000 -0.314) 4.246 10.006 ( 0.421 0.000 0.639) 0.765 10.760 ( 4.902 0.000 2.037) 5.308 11.056 ( -0.701 0.000 -8.895) 8.923 11.207 ( -4.092 0.000 2.983) 5.064 11.368 ( 3.238 0.000 -3.864) 5.041 13.830 ( -0.244 0.000 -0.190) 0.309 13.832 ( 1.520 0.000 -0.512) 1.604 13.849 ( -1.236 0.000 -0.101) 1.240 13.855 ( 0.244 0.000 -0.358) 0.433 15.098 ( 0.773 0.000 1.512) 1.698 15.143 ( 0.145 0.000 -0.453) 0.476 15.685 ( -0.557 0.000 -1.220) 1.342 15.686 ( -0.910 0.000 -0.819) 1.225 16.700 ( 0.120 0.000 1.909) 1.913 16.836 ( 0.331 0.000 -2.697) 2.717 16.842 ( 2.436 0.000 6.444) 6.889 17.012 ( -2.291 0.000 -1.428) 2.700 21.869 ( -0.141 0.000 0.434) 0.456 21.891 ( 0.205 0.000 -0.427) 0.474 22.335 ( 0.027 0.000 0.445) 0.446 22.350 ( 0.041 0.000 -0.205) 0.209 22.896 ( -2.185 0.000 8.336) 8.618 22.966 ( 2.337 0.000 2.545) 3.455 23.085 ( -1.259 0.000 -2.060) 2.414 23.326 ( 4.913 0.000 -6.585) 8.216 23.681 ( 10.869 0.000 -2.903) 11.250 23.714 ( -4.330 0.000 -1.983) 4.763 23.986 ( 3.279 0.000 1.293) 3.525 24.009 ( -4.301 0.000 2.818) 5.142 24.564 ( 2.463 0.000 0.935) 2.635 24.630 ( -1.888 0.000 -1.385) 2.342 24.728 ( -1.646 0.000 -0.326) 1.678 24.734 ( 2.441 0.000 0.241) 2.453 25.062 ( 1.641 0.000 -0.129) 1.646 25.184 ( -1.868 0.000 -1.827) 2.613 25.438 ( -12.301 0.000 0.880) 12.332 25.533 ( 4.474 0.000 -2.828) 5.293 ======================= Grid point 81 (29/84) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -19.554 0.000 14.714) 24.472 1.166 ( -23.245 0.000 6.939) 24.258 1.654 ( -2.332 0.000 -6.051) 6.485 1.691 ( -4.223 0.000 -9.375) 10.282 1.798 ( -26.109 0.000 -2.722) 26.250 1.870 ( 8.779 0.000 2.540) 9.139 2.037 ( 5.406 0.000 8.026) 9.677 2.328 ( 1.921 0.000 7.060) 7.316 2.413 ( 3.575 0.000 -13.423) 13.891 2.492 ( -0.946 0.000 -5.487) 5.568 3.075 ( 6.850 0.000 -4.630) 8.267 3.146 ( 14.919 0.000 7.623) 16.754 3.581 ( 0.964 0.000 -3.704) 3.828 3.593 ( 0.406 0.000 7.719) 7.729 3.635 ( -3.130 0.000 1.017) 3.291 3.844 ( -7.245 0.000 3.983) 8.267 3.883 ( -2.862 0.000 9.510) 9.931 3.985 ( -12.576 0.000 -2.404) 12.804 4.212 ( 1.005 0.000 -4.398) 4.512 4.318 ( -0.599 0.000 -8.616) 8.636 4.493 ( 1.009 0.000 -5.131) 5.229 4.559 ( 8.823 0.000 5.918) 10.624 4.613 ( -12.592 0.000 -0.461) 12.601 4.719 ( 8.859 0.000 -1.417) 8.971 4.736 ( 6.435 0.000 -1.410) 6.588 4.923 ( 16.917 0.000 -6.156) 18.002 5.109 ( 1.098 0.000 2.299) 2.548 5.231 ( 4.753 0.000 -0.431) 4.772 5.283 ( 4.697 0.000 2.582) 5.360 5.297 ( -2.208 0.000 -4.251) 4.790 5.468 ( 0.741 0.000 0.326) 0.809 5.478 ( 1.842 0.000 0.427) 1.890 5.681 ( 0.821 0.000 9.281) 9.318 5.778 ( -7.745 0.000 -1.759) 7.942 5.841 ( -2.177 0.000 1.125) 2.450 5.915 ( -4.096 0.000 1.201) 4.269 5.983 ( -0.378 0.000 -1.160) 1.219 5.992 ( 0.407 0.000 2.125) 2.163 6.074 ( -2.186 0.000 -7.470) 7.783 6.098 ( 9.611 0.000 6.108) 11.387 6.114 ( 2.617 0.000 -0.965) 2.789 6.203 ( -4.566 0.000 -2.191) 5.064 6.486 ( 4.319 0.000 -2.995) 5.256 6.526 ( -1.240 0.000 0.648) 1.399 6.647 ( -3.748 0.000 2.754) 4.652 6.723 ( -1.163 0.000 -1.907) 2.234 6.804 ( -6.552 0.000 4.504) 7.950 6.818 ( 1.125 0.000 2.541) 2.779 7.088 ( 0.652 0.000 1.261) 1.420 7.141 ( -0.460 0.000 -2.329) 2.374 7.305 ( 6.272 0.000 8.776) 10.787 7.388 ( -7.402 0.000 2.245) 7.734 7.413 ( -1.492 0.000 -1.214) 1.923 7.492 ( -3.671 0.000 -11.261) 11.845 7.777 ( -7.687 0.000 -0.017) 7.687 7.813 ( -6.487 0.000 -1.406) 6.638 7.931 ( 9.992 0.000 -1.023) 10.045 7.959 ( 7.931 0.000 1.598) 8.090 8.161 ( 3.883 0.000 -1.064) 4.026 8.389 ( 15.018 0.000 -1.811) 15.127 8.586 ( -7.317 0.000 5.063) 8.898 8.709 ( -4.824 0.000 -4.796) 6.802 8.765 ( 5.325 0.000 2.606) 5.929 9.046 ( 6.857 0.000 -2.817) 7.413 9.130 ( -1.653 0.000 10.415) 10.546 9.553 ( -2.855 0.000 -3.375) 4.421 9.678 ( -1.951 0.000 -1.609) 2.529 9.762 ( -6.452 0.000 -0.115) 6.453 9.819 ( -1.922 0.000 0.765) 2.069 9.851 ( 2.077 0.000 3.852) 4.376 9.998 ( -1.467 0.000 0.201) 1.481 10.022 ( 3.539 0.000 -0.850) 3.639 10.780 ( -6.688 0.000 6.317) 9.200 10.962 ( -4.286 0.000 -18.691) 19.176 11.089 ( -6.674 0.000 -0.069) 6.674 11.380 ( -0.349 0.000 -3.454) 3.472 13.816 ( -1.570 0.000 -0.035) 1.570 13.825 ( 0.198 0.000 -0.980) 1.000 13.859 ( 1.123 0.000 -0.363) 1.180 13.863 ( 0.543 0.000 0.169) 0.569 15.159 ( 4.261 0.000 2.027) 4.718 15.191 ( 4.863 0.000 -0.097) 4.864 15.653 ( -2.094 0.000 0.396) 2.132 15.664 ( -0.692 0.000 -1.775) 1.905 16.697 ( -1.214 0.000 1.663) 2.059 16.784 ( -4.026 0.000 -2.522) 4.751 16.947 ( 4.702 0.000 9.395) 10.506 16.985 ( 0.647 0.000 -3.208) 3.272 21.867 ( -0.263 0.000 0.405) 0.483 21.891 ( -0.033 0.000 -0.344) 0.345 22.338 ( 0.057 0.000 0.421) 0.425 22.349 ( -0.018 0.000 -0.255) 0.255 22.675 ( -19.095 0.000 3.923) 19.494 22.994 ( -0.280 0.000 1.453) 1.480 23.126 ( 3.528 0.000 -0.776) 3.612 23.378 ( 3.286 0.000 -6.324) 7.127 23.569 ( -6.082 0.000 -1.838) 6.354 23.843 ( 0.631 0.000 -12.573) 12.589 23.965 ( 3.352 0.000 7.264) 8.001 24.088 ( 4.233 0.000 0.627) 4.279 24.557 ( -4.368 0.000 -5.521) 7.040 24.603 ( 0.070 0.000 2.540) 2.541 24.720 ( 1.415 0.000 -2.065) 2.503 24.773 ( 1.183 0.000 -0.063) 1.185 25.084 ( -0.790 0.000 3.312) 3.405 25.090 ( -4.597 0.000 -2.394) 5.183 25.246 ( -5.553 0.000 4.017) 6.854 25.715 ( 11.564 0.000 0.832) 11.594 ======================= Grid point 82 (30/84) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -23.616 0.000 15.014) 27.985 0.756 ( -20.093 0.000 20.072) 28.401 1.071 ( -35.963 0.000 17.561) 40.021 1.396 ( -14.782 0.000 -8.867) 17.237 1.483 ( -7.783 0.000 -10.903) 13.396 2.164 ( 19.125 0.000 -6.094) 20.073 2.312 ( 11.202 0.000 6.595) 12.999 2.425 ( 4.643 0.000 -0.306) 4.654 2.529 ( 9.533 0.000 -5.934) 11.229 2.582 ( 7.139 0.000 -4.534) 8.457 3.054 ( -2.702 0.000 -2.655) 3.788 3.313 ( -1.870 0.000 -0.249) 1.887 3.374 ( -17.773 0.000 -2.944) 18.015 3.512 ( -5.321 0.000 -6.243) 8.203 3.588 ( -14.892 0.000 9.645) 17.743 3.621 ( 0.037 0.000 0.136) 0.141 3.990 ( 7.111 0.000 9.503) 11.869 4.044 ( 8.588 0.000 10.361) 13.457 4.267 ( 1.493 0.000 -10.863) 10.965 4.302 ( -3.511 0.000 -4.465) 5.680 4.343 ( 0.024 0.000 -0.146) 0.148 4.559 ( 5.671 0.000 -1.734) 5.931 4.775 ( 8.444 0.000 3.308) 9.069 4.847 ( 7.037 0.000 1.955) 7.303 4.962 ( 12.444 0.000 -4.091) 13.099 5.005 ( -3.822 0.000 -1.863) 4.252 5.172 ( 3.096 0.000 -5.458) 6.275 5.191 ( -5.809 0.000 -2.494) 6.322 5.284 ( -4.413 0.000 2.346) 4.998 5.365 ( 9.808 0.000 -6.447) 11.737 5.497 ( 4.596 0.000 5.163) 6.912 5.593 ( 2.277 0.000 4.456) 5.004 5.598 ( -6.831 0.000 -4.005) 7.919 5.722 ( 1.080 0.000 -0.216) 1.101 5.820 ( -1.241 0.000 4.525) 4.692 5.843 ( -3.401 0.000 0.426) 3.428 5.969 ( -1.924 0.000 -0.589) 2.013 5.970 ( -2.558 0.000 0.325) 2.579 6.104 ( 4.737 0.000 -0.287) 4.746 6.145 ( 0.587 0.000 -0.507) 0.776 6.168 ( 4.006 0.000 -0.425) 4.029 6.298 ( 6.579 0.000 1.584) 6.767 6.454 ( -5.896 0.000 2.074) 6.250 6.527 ( -2.395 0.000 1.208) 2.683 6.628 ( -8.252 0.000 9.408) 12.514 6.641 ( 3.211 0.000 -0.834) 3.318 6.706 ( -5.594 0.000 -4.638) 7.267 6.841 ( 1.831 0.000 0.097) 1.834 7.098 ( -1.669 0.000 1.061) 1.978 7.147 ( 3.650 0.000 0.469) 3.680 7.249 ( -2.293 0.000 -3.686) 4.341 7.272 ( -5.884 0.000 -5.833) 8.285 7.481 ( 8.613 0.000 3.860) 9.438 7.559 ( -7.292 0.000 -4.033) 8.333 7.671 ( 6.114 0.000 9.099) 10.962 7.696 ( 3.869 0.000 9.464) 10.224 8.127 ( 8.600 0.000 0.056) 8.600 8.154 ( 7.261 0.000 1.963) 7.522 8.221 ( 3.973 0.000 1.234) 4.160 8.486 ( -4.601 0.000 3.704) 5.907 8.613 ( -2.331 0.000 -4.178) 4.784 8.644 ( 11.009 0.000 -3.101) 11.437 8.876 ( 4.095 0.000 2.619) 4.861 9.145 ( 4.439 0.000 -4.116) 6.053 9.153 ( -0.501 0.000 8.758) 8.772 9.461 ( -5.331 0.000 2.161) 5.752 9.617 ( -6.680 0.000 -1.648) 6.880 9.656 ( 1.279 0.000 -5.771) 5.911 9.821 ( 1.703 0.000 1.560) 2.310 9.902 ( 1.203 0.000 4.502) 4.661 9.940 ( -4.589 0.000 -4.672) 6.549 10.069 ( 1.730 0.000 -1.235) 2.126 10.482 ( -23.856 0.000 3.669) 24.136 10.522 ( -34.921 0.000 -39.729) 52.895 11.030 ( 0.154 0.000 0.952) 0.965 11.323 ( -3.228 0.000 -3.682) 4.897 13.793 ( -0.741 0.000 0.861) 1.136 13.831 ( 0.859 0.000 -1.270) 1.533 13.875 ( 0.417 0.000 0.214) 0.469 13.875 ( 0.608 0.000 -0.269) 0.665 15.283 ( 7.604 0.000 2.043) 7.874 15.309 ( 4.955 0.000 1.960) 5.329 15.632 ( -0.418 0.000 4.647) 4.665 15.658 ( 2.257 0.000 -3.489) 4.155 16.663 ( -2.979 0.000 0.397) 3.005 16.679 ( -4.641 0.000 -1.995) 5.052 17.000 ( 2.120 0.000 -2.735) 3.460 17.123 ( 7.906 0.000 7.081) 10.613 21.863 ( -0.296 0.000 0.387) 0.488 21.888 ( -0.154 0.000 -0.293) 0.331 22.289 ( -15.152 0.000 1.684) 15.245 22.347 ( -0.172 0.000 -0.597) 0.622 22.353 ( -1.867 0.000 -0.427) 1.915 22.881 ( -18.553 0.000 -21.570) 28.451 23.181 ( 2.281 0.000 -1.093) 2.529 23.302 ( -12.623 0.000 -21.775) 25.169 23.484 ( -2.234 0.000 -0.071) 2.235 23.559 ( -10.594 0.000 -7.567) 13.019 24.122 ( 5.111 0.000 1.628) 5.364 24.149 ( 2.022 0.000 -0.110) 2.025 24.447 ( -2.266 0.000 1.272) 2.599 24.597 ( -1.158 0.000 1.067) 1.575 24.746 ( 1.795 0.000 -1.872) 2.594 24.777 ( -0.546 0.000 0.148) 0.566 25.012 ( -2.228 0.000 -1.360) 2.610 25.026 ( -3.672 0.000 0.274) 3.682 25.461 ( 22.432 0.000 27.584) 35.554 25.927 ( 7.711 0.000 2.550) 8.122 ======================= Grid point 83 (31/84) ======================= q-point: ( 0.00 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 1.486 22.166 14.047) 26.284 0.802 ( -1.004 17.566 19.850) 26.525 1.134 ( -0.307 20.872 27.575) 34.585 1.352 ( 0.168 14.521 -11.427) 18.479 1.523 ( 3.192 13.415 -8.794) 16.355 2.256 ( 0.338 -6.610 -10.511) 12.421 2.477 ( -1.579 5.827 -1.378) 6.193 2.531 ( -1.359 5.516 1.358) 5.841 2.706 ( -0.094 5.236 -3.254) 6.165 2.728 ( 3.873 4.803 -2.412) 6.625 3.024 ( -0.626 0.058 3.294) 3.354 3.208 ( -3.693 0.364 -2.845) 4.676 3.237 ( 4.621 8.349 -1.646) 9.683 3.377 ( -1.211 3.665 -4.005) 5.562 3.488 ( -8.328 6.216 -0.124) 10.393 3.721 ( 4.671 1.280 -1.052) 4.956 4.026 ( -5.394 1.122 -4.480) 7.101 4.143 ( 0.837 -6.850 5.574) 8.871 4.187 ( -2.714 -1.256 5.121) 5.930 4.271 ( 4.368 -2.005 1.786) 5.127 4.423 ( 1.561 -8.563 1.665) 8.862 4.676 ( 3.349 -2.944 -6.200) 7.637 4.708 ( -3.701 -12.180 2.126) 12.906 4.802 ( 2.841 -7.808 -0.840) 8.352 4.807 ( 1.073 -10.059 3.004) 10.553 5.062 ( 5.910 -3.694 0.037) 6.970 5.082 ( -2.697 -4.321 -0.436) 5.112 5.198 ( 0.901 -3.481 0.975) 3.726 5.300 ( -3.258 -4.110 -2.749) 5.921 5.325 ( -0.425 -8.348 -2.007) 8.596 5.335 ( 1.313 -3.635 -4.144) 5.666 5.531 ( -2.063 -1.736 -7.573) 8.038 5.625 ( -2.752 -0.236 -1.122) 2.982 5.661 ( 4.121 -3.263 -2.820) 5.965 5.742 ( 1.521 -2.330 1.981) 3.416 5.794 ( 1.402 -1.049 1.428) 2.259 5.934 ( -2.401 0.158 2.131) 3.215 5.982 ( -4.243 2.388 -2.619) 5.529 6.126 ( -0.156 2.451 2.464) 3.479 6.232 ( 1.475 3.172 -2.074) 4.067 6.329 ( -7.313 3.201 6.528) 10.312 6.368 ( 2.479 3.875 1.580) 4.864 6.436 ( -0.332 4.268 -0.470) 4.307 6.529 ( 0.512 0.154 7.284) 7.304 6.577 ( -0.425 4.659 -0.613) 4.718 6.639 ( 1.921 1.589 -2.784) 3.737 6.691 ( 2.741 -0.030 1.279) 3.025 6.940 ( -6.459 -1.152 -0.357) 6.571 6.969 ( 7.733 -2.356 -1.651) 8.251 7.013 ( -3.759 -4.592 0.863) 5.997 7.235 ( -8.451 3.100 1.046) 9.062 7.331 ( 8.446 -0.308 2.487) 8.810 7.419 ( -4.635 2.864 -3.661) 6.565 7.485 ( 1.517 1.574 -4.023) 4.578 7.693 ( -1.424 -4.319 6.028) 7.551 7.772 ( 2.173 -5.051 4.611) 7.176 8.176 ( 4.620 2.981 3.080) 6.302 8.322 ( 1.347 3.377 -0.706) 3.704 8.395 ( 1.716 3.414 0.170) 3.825 8.532 ( -3.315 -2.660 -6.567) 7.822 8.889 ( -4.654 0.113 3.767) 5.988 8.935 ( 3.184 7.010 7.574) 10.800 9.103 ( 3.707 -0.739 -6.105) 7.181 9.230 ( 5.539 4.519 3.351) 7.894 9.313 ( -19.130 2.782 -1.242) 19.371 9.363 ( -9.778 1.270 -2.374) 10.142 9.471 ( -7.456 -3.707 -3.434) 9.007 9.622 ( 11.604 14.469 -15.018) 23.865 9.720 ( 8.771 -0.531 0.896) 8.833 9.834 ( 4.214 -0.579 -2.392) 4.880 9.928 ( 9.826 -3.281 2.834) 10.740 9.981 ( -1.747 2.698 3.053) 4.433 10.078 ( -6.170 -3.801 -3.296) 7.961 10.156 ( 7.244 6.075 -7.321) 11.957 11.039 ( 2.177 -2.865 3.505) 5.023 11.203 ( -2.313 -3.642 -2.422) 4.948 13.874 ( -0.045 9.206 0.031) 9.206 13.904 ( 0.059 9.885 -1.066) 9.942 14.129 ( 0.276 18.651 0.719) 18.667 14.392 ( 3.066 29.846 -21.717) 37.038 15.308 ( -2.661 -3.247 1.459) 4.444 15.380 ( 4.019 -5.881 0.226) 7.127 15.642 ( -5.465 2.563 3.129) 6.799 15.750 ( 3.509 2.441 -1.643) 4.579 16.561 ( -3.991 -0.933 1.760) 4.460 16.626 ( 1.057 -0.579 -1.022) 1.580 16.903 ( -8.970 -6.079 8.842) 13.985 17.040 ( 2.180 -0.339 -0.878) 2.375 21.909 ( 0.654 2.266 0.301) 2.378 22.009 ( 8.186 2.677 -4.070) 9.527 22.040 ( -9.261 -0.210 0.043) 9.263 22.086 ( -0.437 -1.097 -0.936) 1.507 22.467 ( 0.495 10.442 1.207) 10.524 22.708 ( -4.529 21.183 -17.399) 27.784 23.159 ( -1.310 1.750 0.948) 2.383 23.287 ( 0.295 7.659 -8.831) 11.693 23.467 ( 0.199 -0.223 0.883) 0.933 23.497 ( -0.575 -0.504 -0.333) 0.834 24.133 ( -0.224 -3.332 0.911) 3.461 24.156 ( 0.431 -1.473 -0.273) 1.559 24.478 ( 1.508 -0.140 4.511) 4.759 24.602 ( 0.552 1.561 -3.041) 3.462 24.743 ( -1.361 -1.260 0.575) 1.942 24.769 ( 1.542 -0.731 -0.522) 1.784 24.982 ( -0.643 1.113 -0.376) 1.339 25.019 ( -0.188 1.952 -1.458) 2.443 25.732 ( 9.855 -22.960 16.932) 30.182 25.887 ( -1.747 -10.383 0.722) 10.554 ======================= Grid point 84 (32/84) ======================= q-point: ( 0.17 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 8.905 14.276 16.890) 23.841 1.026 ( 14.781 16.110 13.177) 25.528 1.428 ( 13.476 7.808 -9.778) 18.389 1.516 ( 21.143 13.327 4.935) 25.475 1.686 ( 14.236 13.728 0.507) 19.783 2.118 ( -6.158 2.033 -7.502) 9.916 2.268 ( -15.672 7.310 -0.700) 17.308 2.440 ( -9.364 8.107 1.511) 12.477 2.652 ( -3.031 2.415 -2.237) 4.475 2.740 ( -2.402 4.793 -3.242) 6.265 3.104 ( 4.890 -6.297 3.184) 8.585 3.151 ( -1.604 0.660 -4.903) 5.201 3.275 ( 1.662 1.426 2.919) 3.649 3.311 ( -1.299 4.171 -4.844) 6.523 3.513 ( 5.709 3.211 1.544) 6.729 3.834 ( 5.421 4.915 2.665) 7.787 3.960 ( -1.127 -3.818 -3.597) 5.365 4.047 ( -8.581 -1.249 4.887) 9.954 4.169 ( -1.054 -7.353 1.750) 7.632 4.334 ( 1.835 0.265 -0.681) 1.975 4.406 ( -1.869 -7.215 1.511) 7.605 4.567 ( -5.833 -7.570 2.006) 9.765 4.683 ( 0.355 -5.456 -5.414) 7.694 4.825 ( -0.162 -2.006 2.892) 3.523 4.895 ( -0.009 -6.327 -3.096) 7.044 5.003 ( -3.051 -4.541 -2.420) 5.982 5.133 ( 0.196 -4.941 -1.730) 5.239 5.190 ( -4.640 -0.239 -4.631) 6.560 5.249 ( -5.739 2.454 -0.571) 6.268 5.265 ( 3.495 -6.564 -0.017) 7.437 5.436 ( 3.011 -5.891 -1.833) 6.865 5.490 ( 4.917 -7.722 1.708) 9.313 5.591 ( -8.268 -4.040 0.209) 9.205 5.593 ( -0.618 -2.306 -0.745) 2.501 5.799 ( -1.380 -3.394 0.789) 3.748 5.818 ( 3.332 -0.285 1.414) 3.630 5.865 ( 4.494 -2.682 -3.192) 6.130 6.019 ( -0.589 3.650 2.345) 4.378 6.094 ( -4.512 5.014 1.216) 6.854 6.207 ( 0.327 4.773 0.240) 4.790 6.259 ( -5.442 3.956 1.106) 6.818 6.291 ( -2.209 1.114 1.861) 3.096 6.521 ( 3.974 1.769 4.101) 5.979 6.567 ( 3.325 1.896 0.471) 3.856 6.602 ( 2.913 2.016 3.284) 4.831 6.650 ( 1.491 1.788 -0.889) 2.492 6.805 ( -1.888 -3.148 -1.024) 3.811 6.848 ( 0.092 -4.545 -4.165) 6.165 6.927 ( -0.544 0.573 4.506) 4.574 7.091 ( -0.978 -1.516 -0.088) 1.806 7.151 ( 5.203 1.706 1.569) 5.696 7.294 ( -5.729 1.815 -3.966) 7.200 7.415 ( -2.209 -5.490 2.681) 6.497 7.585 ( 8.317 8.081 -2.525) 11.868 7.769 ( 7.711 3.729 2.159) 8.833 7.810 ( 0.804 -6.456 1.654) 6.713 8.171 ( -8.267 -1.325 0.507) 8.388 8.271 ( -8.053 7.272 0.954) 10.892 8.370 ( -7.189 -3.326 -8.580) 11.677 8.455 ( 1.831 3.105 1.983) 4.114 8.713 ( -17.855 16.917 2.428) 24.716 8.775 ( -4.982 4.210 1.182) 6.629 8.960 ( -2.749 3.792 4.426) 6.444 9.087 ( -2.160 4.412 -3.940) 6.297 9.217 ( -5.342 2.815 7.366) 9.525 9.415 ( 1.892 -5.158 2.681) 6.113 9.530 ( 5.727 -7.621 -2.650) 9.895 9.622 ( 3.267 -0.750 -3.142) 4.594 9.716 ( 0.151 -1.316 -4.587) 4.775 9.819 ( 1.167 1.288 0.593) 1.836 9.984 ( 0.050 0.796 0.244) 0.834 10.017 ( 0.566 -2.235 -0.771) 2.431 10.317 ( 15.066 -0.321 -3.639) 15.503 10.732 ( 32.572 -10.066 -12.761) 36.402 11.111 ( 2.874 -3.090 4.862) 6.439 11.157 ( -0.329 -3.073 -4.390) 5.369 13.886 ( 1.297 10.026 -0.078) 10.109 13.908 ( 0.779 9.889 -0.770) 9.949 14.114 ( -1.989 18.113 0.427) 18.227 14.251 ( -6.740 27.338 -10.342) 29.996 15.218 ( -6.250 -3.389 1.915) 7.363 15.306 ( -8.391 0.095 2.403) 8.729 15.609 ( 2.599 0.781 -0.273) 2.727 15.775 ( -0.305 2.506 -0.518) 2.577 16.587 ( 4.154 -0.410 0.694) 4.232 16.698 ( 5.205 -1.433 -0.532) 5.425 16.810 ( -3.810 0.051 6.515) 7.547 17.070 ( 0.452 -1.331 0.855) 1.646 21.896 ( -2.517 2.129 -0.042) 3.297 21.900 ( -0.396 1.397 -0.279) 1.479 22.179 ( 6.824 -3.733 0.205) 7.780 22.239 ( 7.852 -5.916 -1.036) 9.886 22.551 ( 8.552 13.058 3.476) 15.991 22.720 ( 10.407 13.137 -12.527) 20.924 23.153 ( -0.005 0.172 0.214) 0.275 23.277 ( 1.468 5.860 -5.565) 8.214 23.491 ( 0.814 -0.256 -1.031) 1.339 23.505 ( 3.236 -0.388 0.944) 3.393 24.104 ( -2.875 -2.946 1.171) 4.280 24.139 ( -2.172 -1.308 -0.488) 2.583 24.508 ( -0.010 -1.136 0.982) 1.501 24.623 ( 2.639 2.109 -1.667) 3.767 24.710 ( -1.663 -1.027 -0.322) 1.981 24.791 ( 0.264 -0.643 0.124) 0.706 24.995 ( 1.839 0.988 -0.358) 2.118 25.039 ( 2.881 0.943 -0.552) 3.081 25.735 ( -9.921 -13.048 2.455) 16.574 25.816 ( -7.332 -12.301 4.859) 15.123 ======================= Grid point 85 (33/84) ======================= q-point: ( 0.33 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 11.565 10.779 13.647) 20.885 1.426 ( 18.122 14.073 9.043) 24.662 1.712 ( 8.470 7.778 -10.228) 15.390 1.735 ( 11.773 6.215 -8.675) 15.890 1.930 ( -14.244 7.902 4.570) 16.917 2.003 ( 2.157 7.830 -1.680) 8.294 2.101 ( 10.814 11.126 1.873) 15.628 2.250 ( -6.137 8.042 -0.562) 10.131 2.600 ( 0.572 2.766 -2.295) 3.639 2.646 ( -2.980 3.866 -4.750) 6.811 2.941 ( -15.916 -3.782 0.703) 16.375 3.244 ( 3.022 -6.924 0.117) 7.556 3.254 ( -5.150 -3.936 5.190) 8.304 3.413 ( 7.335 2.109 1.678) 7.814 3.605 ( 4.007 -4.811 0.891) 6.324 3.858 ( -2.750 0.620 3.617) 4.586 3.956 ( 0.425 -5.412 3.307) 6.357 4.044 ( 7.594 4.446 -2.838) 9.247 4.148 ( 1.754 -8.280 -0.052) 8.464 4.321 ( -3.610 -4.470 -4.245) 7.144 4.371 ( 0.622 -3.111 -0.198) 3.179 4.568 ( -0.326 1.248 -1.140) 1.721 4.703 ( 2.233 3.318 -3.116) 5.070 4.766 ( -6.505 -3.154 -4.174) 8.348 4.815 ( -0.610 -0.062 0.698) 0.929 4.939 ( -2.279 0.687 -2.041) 3.135 4.994 ( -7.115 0.712 -2.194) 7.480 5.067 ( -8.380 -4.621 0.209) 9.572 5.199 ( -2.298 -5.231 0.970) 5.795 5.300 ( -1.009 -3.504 3.691) 5.188 5.407 ( -1.465 -5.497 1.016) 5.779 5.454 ( 1.386 -6.057 -1.280) 6.344 5.563 ( -1.625 -0.708 -2.025) 2.691 5.744 ( 8.846 -6.862 2.905) 11.566 5.777 ( -0.050 -4.365 2.710) 5.138 5.898 ( 3.660 -0.927 -1.506) 4.065 5.934 ( 0.486 -5.286 0.499) 5.331 5.971 ( -1.787 5.521 0.474) 5.822 6.049 ( -0.384 4.101 2.620) 4.881 6.121 ( -4.092 1.716 -0.567) 4.473 6.240 ( -0.066 2.520 -2.565) 3.596 6.346 ( 3.702 1.225 -0.138) 3.902 6.564 ( -2.067 -1.178 1.491) 2.807 6.622 ( -1.738 1.119 -3.917) 4.429 6.657 ( -1.736 1.164 -2.380) 3.167 6.703 ( 4.317 2.873 4.250) 6.705 6.767 ( 6.491 -3.288 2.123) 7.579 6.790 ( -1.536 -1.254 1.453) 2.458 7.017 ( 2.159 -1.379 2.715) 3.733 7.054 ( -4.107 -5.343 2.555) 7.207 7.177 ( -3.196 2.465 -3.115) 5.098 7.288 ( 8.185 -1.634 -0.426) 8.357 7.410 ( 1.480 -4.548 3.367) 5.849 7.634 ( -1.751 -1.487 -4.898) 5.410 7.849 ( -5.671 2.594 -0.011) 6.236 7.908 ( 0.868 2.174 -0.265) 2.356 7.985 ( -0.552 3.956 0.267) 4.003 8.055 ( -3.123 6.326 -2.853) 7.610 8.241 ( -2.805 4.505 -5.741) 7.818 8.391 ( -9.640 11.305 4.359) 15.483 8.609 ( 2.350 5.528 0.941) 6.080 8.769 ( 1.702 0.515 1.134) 2.109 8.903 ( -3.417 3.878 1.139) 5.292 8.993 ( -5.402 4.399 -1.302) 7.087 9.167 ( -3.421 2.706 7.255) 8.466 9.479 ( 2.275 -10.625 5.677) 12.260 9.570 ( 2.063 -6.338 -7.662) 10.155 9.693 ( 3.977 -5.529 -1.598) 6.996 9.742 ( 1.100 -3.564 1.087) 3.886 9.890 ( 4.330 3.816 2.526) 6.300 9.958 ( -1.705 -1.179 -2.598) 3.323 10.043 ( 1.247 2.650 1.241) 3.180 10.574 ( 11.429 -1.631 -2.276) 11.767 11.013 ( 2.604 -8.102 -5.872) 10.339 11.179 ( 1.131 -3.347 4.515) 5.733 11.214 ( 8.689 -4.821 -6.416) 11.828 13.922 ( 2.166 11.296 -0.353) 11.508 13.932 ( 1.874 10.934 0.274) 11.097 14.061 ( -2.860 17.100 -1.383) 17.393 14.103 ( -4.862 19.417 -1.867) 20.103 15.124 ( -3.258 -0.082 1.568) 3.616 15.191 ( -3.939 1.048 0.149) 4.079 15.652 ( 1.153 -0.587 0.178) 1.306 15.761 ( -0.254 3.365 -1.617) 3.742 16.665 ( 2.807 -0.630 0.685) 2.957 16.780 ( 2.174 -1.540 1.313) 2.970 16.802 ( 0.816 0.076 2.666) 2.790 17.056 ( -1.979 -1.295 0.171) 2.371 21.878 ( -0.165 0.905 0.382) 0.996 21.899 ( 0.341 1.025 -0.548) 1.211 22.263 ( 1.722 -4.714 0.624) 5.057 22.307 ( 0.987 -4.240 -0.231) 4.359 22.812 ( 11.683 8.775 6.922) 16.168 22.887 ( 8.133 3.647 -3.488) 9.571 23.140 ( -2.084 -0.520 0.138) 2.153 23.294 ( 3.134 3.637 -6.099) 7.762 23.531 ( 4.657 -0.079 -2.230) 5.164 23.625 ( 7.851 -0.667 0.618) 7.904 24.030 ( -5.242 -2.130 0.532) 5.683 24.069 ( -4.088 -1.039 0.461) 4.243 24.512 ( 0.784 -1.062 -0.158) 1.329 24.654 ( -0.536 0.150 0.466) 0.726 24.694 ( 1.363 -0.123 -1.514) 2.041 24.776 ( -1.503 0.214 0.072) 1.520 25.037 ( 2.412 1.308 -1.070) 2.945 25.124 ( 5.096 -0.546 0.225) 5.130 25.525 ( -9.797 -8.491 -1.343) 13.034 25.644 ( -10.136 -5.253 1.897) 11.573 ======================= Grid point 86 (34/84) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -5.187 11.126 4.557) 13.094 1.567 ( 2.137 6.913 9.045) 11.583 1.698 ( -10.298 13.639 1.032) 17.122 1.795 ( 2.794 10.821 1.457) 11.270 1.850 ( 5.600 14.553 0.220) 15.595 2.095 ( 9.879 8.136 -5.965) 14.120 2.167 ( -4.938 12.170 -1.971) 13.281 2.294 ( 5.579 3.842 -3.607) 7.675 2.576 ( -16.145 -5.094 -1.106) 16.966 2.710 ( 13.516 -3.143 2.478) 14.096 2.748 ( 8.686 -2.937 -5.775) 10.836 2.892 ( -19.515 -4.421 -1.972) 20.106 3.385 ( 5.238 -4.973 5.716) 9.211 3.590 ( 0.901 -5.047 4.379) 6.742 3.640 ( 4.122 0.024 2.422) 4.781 3.747 ( -7.670 -0.079 1.322) 7.784 4.033 ( -0.459 -9.347 2.051) 9.580 4.107 ( -0.236 0.025 -3.769) 3.777 4.271 ( 1.354 5.115 -2.121) 5.700 4.320 ( -3.452 -2.885 -2.371) 5.085 4.329 ( 8.068 -9.295 -0.461) 12.317 4.548 ( 1.343 0.090 -5.365) 5.531 4.624 ( 0.278 1.887 2.029) 2.785 4.674 ( -1.364 2.601 -0.445) 2.970 4.809 ( -0.894 5.131 -3.343) 6.189 4.856 ( -2.955 2.989 -4.500) 6.157 4.970 ( -1.951 -8.421 2.547) 9.011 5.048 ( 7.057 -6.774 -0.127) 9.783 5.161 ( 1.015 1.700 5.503) 5.848 5.344 ( 0.632 -2.715 2.198) 3.550 5.372 ( -1.049 -5.682 0.497) 5.799 5.492 ( 0.192 -4.466 -1.012) 4.583 5.538 ( 0.840 -1.714 2.164) 2.886 5.792 ( -0.440 -4.508 3.341) 5.628 5.841 ( -2.036 -1.328 0.378) 2.460 5.906 ( 1.718 -0.895 2.471) 3.140 5.960 ( 1.346 -3.872 2.143) 4.626 5.996 ( 2.680 -0.977 -3.197) 4.285 6.050 ( -0.451 5.779 3.799) 6.930 6.065 ( -2.885 -2.196 -3.007) 4.710 6.171 ( -3.196 -1.685 -7.553) 8.373 6.357 ( -1.715 3.429 -5.819) 6.968 6.504 ( -1.122 1.337 -0.727) 1.891 6.521 ( -0.705 1.660 -1.922) 2.636 6.703 ( -4.248 -0.160 1.314) 4.449 6.724 ( 3.173 -0.514 0.587) 3.267 6.834 ( 1.145 3.277 1.826) 3.923 6.901 ( -2.946 -2.267 3.050) 4.808 6.971 ( 5.261 -4.869 5.449) 9.004 7.049 ( 0.185 -1.910 3.359) 3.869 7.170 ( 1.456 1.646 -1.441) 2.627 7.365 ( -5.418 -9.983 -2.223) 11.574 7.477 ( 4.735 -4.972 0.329) 6.873 7.634 ( 3.370 -4.190 2.648) 5.994 7.659 ( -2.660 1.372 -5.795) 6.522 7.785 ( -3.723 1.800 -1.765) 4.496 8.093 ( -0.278 12.180 1.033) 12.227 8.166 ( -1.352 8.279 -1.375) 8.501 8.186 ( -3.656 8.729 -0.071) 9.464 8.229 ( 9.251 9.837 -3.609) 13.978 8.683 ( 3.606 3.506 2.286) 5.525 8.758 ( -4.743 3.107 4.564) 7.279 8.855 ( -4.672 1.909 -3.375) 6.071 8.932 ( 4.053 2.035 0.083) 4.536 9.143 ( -2.315 1.293 6.454) 6.978 9.513 ( -1.614 -9.485 3.803) 10.346 9.577 ( 1.859 -7.501 -4.847) 9.123 9.748 ( -0.161 -3.627 2.752) 4.556 9.760 ( 2.334 -8.425 -2.629) 9.129 9.897 ( -2.508 0.866 -3.206) 4.162 9.970 ( 1.585 4.214 3.340) 5.606 10.063 ( 0.360 2.615 0.673) 2.724 10.731 ( 4.451 -2.845 1.466) 5.482 10.978 ( -1.529 -6.787 -7.695) 10.374 11.173 ( -3.915 -3.372 2.850) 5.901 11.317 ( 3.306 -4.804 -3.164) 6.635 13.950 ( -0.438 11.969 0.322) 11.982 13.969 ( 0.532 12.709 0.916) 12.754 14.016 ( 0.121 15.434 -1.809) 15.540 14.044 ( 0.582 15.875 -1.319) 15.940 15.105 ( 0.343 0.873 1.438) 1.717 15.153 ( 0.462 1.106 -0.629) 1.354 15.659 ( -0.465 -0.108 0.923) 1.039 15.744 ( -0.708 3.475 -2.439) 4.304 16.699 ( 0.229 -0.435 1.498) 1.577 16.814 ( 0.338 -2.020 -0.654) 2.150 16.837 ( 1.377 -0.847 4.678) 4.949 17.011 ( -1.599 -0.291 -1.758) 2.395 21.878 ( -0.225 0.797 0.391) 0.916 21.903 ( 0.187 1.002 -0.588) 1.176 22.281 ( 0.208 -4.342 0.864) 4.432 22.312 ( -0.051 -3.712 -0.393) 3.733 22.954 ( -1.463 3.375 5.163) 6.340 22.999 ( 0.678 4.699 4.398) 6.472 23.079 ( -0.234 -0.456 -1.678) 1.754 23.338 ( 3.563 0.949 -4.806) 6.057 23.649 ( 4.491 -2.661 -1.437) 5.415 23.713 ( 1.468 -0.441 -3.708) 4.013 23.972 ( 0.272 -1.385 2.185) 2.601 24.003 ( -1.622 -0.628 1.337) 2.193 24.542 ( 1.424 -1.555 1.561) 2.623 24.629 ( -0.968 -0.284 -1.033) 1.444 24.717 ( 0.326 -0.534 -0.478) 0.788 24.753 ( 0.035 0.791 -0.953) 1.238 25.072 ( 1.395 0.965 -0.403) 1.743 25.174 ( -1.593 -0.739 -1.752) 2.481 25.378 ( -7.009 -5.011 2.454) 8.959 25.510 ( 1.146 -2.554 -3.175) 4.233 ======================= Grid point 87 (35/84) ======================= q-point: (-0.33 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -19.147 10.157 12.185) 24.865 1.355 ( -22.358 14.297 5.924) 27.192 1.751 ( -1.449 8.988 -5.144) 10.457 1.772 ( -10.885 6.465 -6.452) 14.210 1.911 ( -3.490 8.467 -1.860) 9.345 2.011 ( -7.552 15.682 0.880) 17.428 2.120 ( 1.026 7.781 5.092) 9.356 2.368 ( 2.686 4.787 5.079) 7.478 2.424 ( 6.155 2.091 -9.535) 11.540 2.560 ( 4.541 7.507 -4.959) 10.078 3.041 ( 9.469 -3.777 -4.200) 11.026 3.076 ( 15.575 -6.771 7.231) 18.458 3.405 ( -5.670 -7.481 1.799) 9.557 3.582 ( -1.350 -5.280 4.894) 7.325 3.632 ( -0.955 -6.835 -0.737) 6.941 3.776 ( 5.191 6.562 5.859) 10.214 3.895 ( -10.452 -6.798 -1.156) 12.522 4.066 ( -1.921 2.117 0.112) 2.861 4.144 ( -5.201 -2.297 -2.719) 6.302 4.296 ( -0.420 -1.140 -1.079) 1.625 4.453 ( 2.835 -3.355 3.220) 5.446 4.501 ( 1.005 -0.456 -6.372) 6.467 4.672 ( -9.347 3.793 -2.139) 10.311 4.793 ( 10.057 3.324 -5.842) 12.096 4.847 ( 7.357 -6.503 -3.393) 10.388 4.883 ( 6.906 6.085 -0.758) 9.235 4.950 ( 3.946 -8.993 3.918) 10.574 5.172 ( 5.813 -6.733 -1.464) 9.015 5.225 ( -0.953 -3.375 1.660) 3.880 5.319 ( -0.494 -1.764 -2.501) 3.100 5.372 ( 0.564 -3.965 1.926) 4.444 5.501 ( 2.134 -2.336 -2.157) 3.829 5.588 ( -0.718 -5.121 8.924) 10.314 5.658 ( -6.393 -9.745 -3.369) 12.132 5.825 ( -3.249 -1.057 1.763) 3.845 5.932 ( -4.808 -2.248 -2.555) 5.891 5.983 ( 0.598 0.552 0.380) 0.898 6.013 ( 2.592 -1.995 1.675) 3.675 6.041 ( 0.951 3.428 1.996) 4.080 6.125 ( 8.326 1.900 1.538) 8.677 6.146 ( 3.869 3.688 -0.120) 5.347 6.274 ( -3.688 3.810 -3.180) 6.183 6.494 ( 1.290 0.434 -1.447) 1.986 6.536 ( -1.034 1.299 0.742) 1.818 6.644 ( -0.430 -0.601 -0.184) 0.761 6.753 ( -8.466 -2.323 3.081) 9.304 6.777 ( 1.403 -0.496 -0.012) 1.488 6.849 ( -1.603 4.721 1.467) 5.198 7.019 ( -1.053 -4.378 -0.470) 4.527 7.099 ( -4.140 -4.788 0.653) 6.363 7.241 ( 7.315 -5.490 5.580) 10.713 7.303 ( 1.070 -2.914 -1.635) 3.509 7.413 ( -3.457 -1.724 5.335) 6.587 7.563 ( -3.371 4.497 -11.198) 12.529 7.819 ( -2.379 3.653 -0.145) 4.362 7.892 ( 9.550 3.234 0.270) 10.086 7.934 ( 3.676 0.945 -0.255) 3.804 8.044 ( -5.825 8.681 -1.907) 10.627 8.224 ( 1.814 7.648 -1.332) 7.972 8.506 ( 14.721 10.162 -0.979) 17.914 8.686 ( -2.429 6.463 3.737) 7.850 8.730 ( -4.146 2.271 -1.912) 5.099 8.783 ( 3.546 1.892 1.697) 4.363 9.052 ( 6.218 0.925 1.196) 6.399 9.134 ( -1.305 -0.555 5.309) 5.495 9.474 ( -3.224 -6.121 2.392) 7.320 9.578 ( -0.163 -8.414 -3.275) 9.030 9.716 ( -3.378 -4.651 -1.636) 5.977 9.777 ( -0.012 -3.471 0.927) 3.593 9.861 ( 0.293 0.209 -0.421) 0.554 9.986 ( -0.737 2.157 1.103) 2.532 10.067 ( -0.273 1.736 0.875) 1.963 10.734 ( -7.653 -4.568 3.758) 9.672 10.869 ( -5.833 -7.224 -13.233) 16.165 11.061 ( -6.442 -2.996 -0.087) 7.105 11.322 ( -1.309 -4.927 -1.698) 5.373 13.915 ( -1.935 10.303 -0.187) 10.485 13.949 ( -2.005 12.251 0.263) 12.416 14.045 ( 2.973 15.616 -1.245) 15.945 14.126 ( 7.278 21.118 -2.450) 22.470 15.145 ( 3.114 -0.769 1.119) 3.397 15.205 ( 4.554 1.076 0.303) 4.689 15.649 ( -0.982 0.953 1.834) 2.288 15.710 ( -1.224 3.428 -2.717) 4.543 16.693 ( -1.421 -0.716 1.272) 2.036 16.770 ( -3.540 -1.466 -2.206) 4.421 16.906 ( 2.081 -3.404 8.683) 9.556 16.992 ( 0.744 0.301 -3.071) 3.174 21.871 ( -0.500 0.468 0.260) 0.733 21.903 ( 0.208 1.011 -0.407) 1.110 22.281 ( -1.085 -4.572 0.988) 4.801 22.301 ( -1.041 -4.067 -0.627) 4.245 22.763 ( -15.394 7.168 2.769) 17.205 23.005 ( -0.467 1.088 1.291) 1.752 23.140 ( 3.224 1.678 0.416) 3.658 23.385 ( 3.195 0.518 -4.438) 5.493 23.553 ( -5.703 -1.418 -1.601) 6.091 23.819 ( 1.404 -2.277 -10.997) 11.318 23.945 ( 1.965 -1.919 7.054) 7.570 24.076 ( 3.960 -1.202 0.187) 4.142 24.533 ( -3.395 -1.085 0.333) 3.580 24.622 ( 0.290 0.428 -1.730) 1.805 24.714 ( 0.814 -0.662 -1.712) 2.008 24.762 ( 0.600 -1.054 -0.570) 1.340 25.085 ( -1.649 0.604 1.072) 2.058 25.102 ( -2.178 0.677 -0.362) 2.310 25.241 ( -5.108 -0.437 2.609) 5.752 25.652 ( 10.035 -5.867 0.513) 11.636 ======================= Grid point 88 (36/84) ======================= q-point: (-0.17 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -14.604 12.340 19.265) 27.142 0.911 ( -23.408 13.167 9.136) 28.368 1.331 ( -24.841 22.566 11.908) 35.610 1.503 ( -10.824 9.197 -8.239) 16.420 1.658 ( -10.251 15.603 -9.657) 21.019 2.152 ( 11.525 0.082 -3.861) 12.155 2.342 ( 11.415 3.873 2.481) 12.306 2.497 ( 5.413 7.409 1.958) 9.383 2.569 ( 9.615 3.908 -3.847) 11.069 2.691 ( 6.797 10.917 -4.154) 13.514 3.063 ( -2.231 0.062 -0.920) 2.414 3.241 ( -6.684 -5.505 2.567) 9.032 3.288 ( 0.232 -2.180 -0.268) 2.208 3.495 ( -5.974 -0.147 -3.645) 7.000 3.604 ( -6.673 0.092 -1.989) 6.964 3.758 ( -1.250 3.803 -0.850) 4.092 3.971 ( 6.590 -1.921 7.223) 9.964 4.055 ( 4.875 1.585 9.339) 10.654 4.145 ( 4.395 -7.386 -5.558) 10.235 4.304 ( -1.195 -1.314 -1.428) 2.279 4.364 ( -6.156 -1.152 -0.191) 6.265 4.587 ( 6.877 -5.129 -1.958) 8.800 4.615 ( 6.124 -1.436 -1.515) 6.470 4.816 ( -4.496 -13.351 1.335) 14.151 4.889 ( 0.257 -0.617 -2.024) 2.132 4.975 ( 2.405 -7.416 -1.130) 7.877 5.090 ( 1.871 -2.005 0.127) 2.745 5.214 ( 3.853 0.496 -5.853) 7.025 5.243 ( -1.245 -8.646 -3.750) 9.506 5.324 ( 4.670 -2.501 -1.057) 5.402 5.435 ( 2.650 -2.226 3.737) 5.093 5.483 ( -2.024 -6.519 -3.907) 7.866 5.589 ( 3.000 -1.980 2.540) 4.401 5.674 ( 2.089 -5.867 -0.306) 6.235 5.746 ( -2.874 -2.588 0.705) 3.931 5.811 ( -5.757 -4.931 -0.227) 7.583 5.926 ( -1.732 1.172 -1.648) 2.663 6.079 ( 0.325 4.509 3.993) 6.032 6.131 ( 4.378 0.391 1.348) 4.597 6.168 ( -1.349 4.171 -1.925) 4.788 6.249 ( 5.462 4.498 -0.098) 7.077 6.345 ( 6.343 4.302 3.161) 8.291 6.462 ( -3.356 1.357 1.990) 4.131 6.541 ( -1.927 -1.053 1.703) 2.779 6.607 ( -4.356 0.114 3.044) 5.316 6.649 ( -1.980 -0.139 1.031) 2.237 6.759 ( -4.732 4.967 -2.506) 7.303 6.807 ( 3.609 -2.973 -1.816) 5.017 7.003 ( -0.348 -5.935 1.600) 6.157 7.126 ( 2.613 0.096 1.825) 3.189 7.189 ( -4.500 -3.953 0.347) 6.000 7.343 ( -1.226 1.398 1.885) 2.648 7.471 ( 0.967 2.440 -8.531) 8.926 7.535 ( 2.156 -2.889 1.600) 3.944 7.635 ( -4.330 1.575 5.250) 6.985 7.814 ( -7.698 9.240 1.831) 12.165 8.101 ( 4.356 -2.800 -1.028) 5.279 8.208 ( 10.333 2.352 -1.055) 10.650 8.290 ( 8.627 7.949 -0.169) 11.732 8.618 ( -3.093 1.101 -5.032) 6.008 8.726 ( 11.227 10.627 1.766) 15.560 8.831 ( 11.941 12.266 3.741) 17.522 8.876 ( 5.356 1.103 1.501) 5.671 9.130 ( -0.564 -2.914 6.277) 6.944 9.189 ( 7.650 5.123 -1.063) 9.268 9.416 ( -3.697 -2.851 2.724) 5.405 9.519 ( -4.490 -7.684 -1.999) 9.121 9.663 ( 0.804 0.052 -5.284) 5.345 9.786 ( 0.432 -4.484 3.134) 5.488 9.884 ( 1.499 -1.156 0.331) 1.922 9.948 ( -3.726 1.703 -3.245) 5.226 10.063 ( -0.393 -0.363 0.575) 0.785 10.376 ( -27.196 -5.432 -9.506) 29.317 10.535 ( -22.425 -1.518 -11.000) 25.023 11.002 ( 0.118 -2.787 0.919) 2.937 11.266 ( -3.098 -4.474 -1.304) 5.596 13.885 ( -1.007 9.104 -0.100) 9.160 13.917 ( -0.965 10.970 -0.703) 11.035 14.099 ( 2.444 17.707 -0.141) 17.875 14.294 ( 12.062 27.801 -11.515) 32.418 15.240 ( 5.770 -3.144 1.725) 6.793 15.305 ( 3.756 -1.075 1.517) 4.191 15.652 ( 0.206 2.222 3.949) 4.535 15.694 ( 1.772 3.425 -2.961) 4.862 16.648 ( -3.598 -1.625 0.108) 3.950 16.679 ( -4.186 -0.403 -1.631) 4.510 16.975 ( -0.901 -8.933 9.836) 13.318 17.006 ( 1.865 0.021 -2.446) 3.076 21.873 ( 1.165 1.055 -0.086) 1.573 21.914 ( 1.426 1.681 -0.164) 2.210 22.205 ( -7.584 -4.259 0.487) 8.712 22.247 ( -5.311 -5.556 -1.107) 7.765 22.516 ( -7.512 11.018 0.934) 13.368 22.953 ( -5.610 3.695 -8.031) 10.470 23.181 ( 0.330 1.284 0.381) 1.380 23.391 ( -1.053 4.097 -13.266) 13.924 23.476 ( -1.525 -0.659 0.098) 1.664 23.600 ( -11.076 3.039 -14.045) 18.143 24.083 ( 4.847 -3.840 3.717) 7.215 24.132 ( 1.964 -1.503 -0.381) 2.502 24.457 ( -2.634 1.210 2.891) 4.094 24.612 ( -0.229 0.615 -1.607) 1.736 24.734 ( 1.584 -1.233 -1.363) 2.426 24.765 ( -0.307 -1.033 0.490) 1.184 25.022 ( -2.753 1.546 -1.073) 3.334 25.056 ( -2.611 2.074 -2.041) 3.910 25.353 ( 11.663 -7.278 20.575) 24.745 25.832 ( 6.426 -8.739 1.692) 10.978 ======================= Grid point 89 (37/84) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -0.464 17.709 16.413) 24.150 1.225 ( 0.989 25.447 9.262) 27.099 1.623 ( 0.850 22.225 4.611) 22.715 1.721 ( -2.217 20.512 -10.810) 23.292 1.827 ( 4.311 16.191 -4.187) 17.270 2.163 ( -0.835 -0.525 -2.188) 2.400 2.631 ( 0.463 8.457 0.613) 8.492 2.727 ( -2.801 11.735 -0.222) 12.067 2.844 ( -0.903 5.866 3.272) 6.777 2.856 ( 0.757 9.353 -0.165) 9.385 3.087 ( -0.771 5.918 1.140) 6.076 3.232 ( -3.209 1.701 -1.312) 3.861 3.390 ( -5.081 6.390 -6.092) 10.186 3.490 ( 5.290 5.622 -6.708) 10.228 3.603 ( 4.653 4.161 0.017) 6.242 3.705 ( 2.627 -2.178 -0.297) 3.426 3.960 ( -2.547 -7.882 0.182) 8.285 4.016 ( -2.705 -3.293 -4.288) 6.045 4.132 ( -5.614 -5.812 0.587) 8.101 4.184 ( 4.951 -7.395 5.030) 10.223 4.261 ( 2.096 -4.700 4.779) 7.023 4.433 ( 1.337 -13.860 -0.503) 13.934 4.526 ( -2.448 -10.278 1.009) 10.613 4.588 ( -0.206 -6.710 4.532) 8.100 4.695 ( 0.142 -7.435 -0.666) 7.466 4.888 ( 3.180 -10.427 -1.821) 11.052 4.920 ( 2.302 -9.821 0.618) 10.106 5.064 ( -5.330 -10.946 -5.775) 13.475 5.149 ( 2.367 -0.561 -2.782) 3.696 5.268 ( -1.588 -3.394 -5.088) 6.319 5.289 ( -0.411 -2.227 2.977) 3.741 5.529 ( -0.756 0.935 -6.855) 6.959 5.545 ( 4.615 -5.804 -2.216) 7.739 5.633 ( -1.873 -1.043 -0.621) 2.232 5.690 ( 3.174 -2.931 1.434) 4.552 5.773 ( 1.405 -0.205 3.494) 3.771 5.973 ( -2.415 3.472 2.634) 4.983 6.054 ( -5.283 3.787 -3.171) 7.232 6.153 ( 2.490 -1.521 2.915) 4.124 6.226 ( -1.195 -0.752 2.829) 3.162 6.348 ( 0.342 -4.582 1.011) 4.704 6.443 ( -4.854 3.565 3.161) 6.801 6.499 ( 5.635 -0.943 6.559) 8.698 6.526 ( -2.402 2.750 -3.929) 5.363 6.650 ( 0.869 1.842 0.382) 2.072 6.703 ( 7.851 4.164 -1.933) 9.095 6.723 ( -5.678 1.321 -0.618) 5.863 6.871 ( -2.766 -1.620 -4.565) 5.578 6.949 ( 1.825 -0.999 1.073) 2.340 6.979 ( 1.775 0.050 -1.919) 2.615 7.192 ( -1.472 -4.232 6.373) 7.790 7.332 ( -1.298 -1.028 0.270) 1.677 7.465 ( -8.660 5.889 -0.106) 10.473 7.625 ( 7.645 8.223 -4.003) 11.921 7.693 ( 5.486 4.625 3.450) 7.961 7.832 ( -5.760 5.809 -0.680) 8.209 8.245 ( 8.109 2.570 0.334) 8.513 8.340 ( -2.526 -0.088 0.572) 2.592 8.480 ( -3.268 0.984 -6.013) 6.914 8.531 ( 1.065 4.933 -2.518) 5.640 8.874 ( -4.015 -1.598 4.207) 6.031 8.911 ( 1.403 -5.108 5.102) 7.354 9.103 ( 4.269 -2.689 -0.914) 5.128 9.278 ( 0.774 -8.507 -2.318) 8.851 9.339 ( 6.174 4.180 5.572) 9.308 9.394 ( -3.586 8.091 1.788) 9.029 9.439 ( -13.399 1.039 0.158) 13.441 9.633 ( -3.045 -6.706 3.393) 8.109 9.704 ( 3.578 -1.914 -1.958) 4.505 9.841 ( -2.402 -3.639 -2.243) 4.904 9.923 ( 10.505 4.379 -4.280) 12.159 10.007 ( -5.290 -0.170 -3.143) 6.155 10.074 ( 0.299 5.055 2.005) 5.446 10.258 ( 4.291 3.560 -7.799) 9.587 10.954 ( 2.071 -5.436 3.279) 6.677 11.107 ( -1.806 -5.790 -2.473) 6.550 14.133 ( 0.068 15.311 0.574) 15.322 14.188 ( -0.134 16.373 -1.424) 16.436 14.570 ( 0.110 23.769 1.803) 23.837 14.859 ( 2.990 17.631 -14.381) 22.949 15.222 ( -3.949 -4.715 1.401) 6.308 15.269 ( 3.330 -4.318 0.880) 5.524 15.737 ( -3.073 6.978 2.205) 7.937 15.836 ( 2.338 6.272 -1.772) 6.924 16.527 ( -1.861 -2.841 1.680) 3.789 16.591 ( 0.468 -3.242 -0.976) 3.418 16.832 ( -2.862 -2.167 7.005) 7.872 17.018 ( 1.361 -2.173 -1.854) 3.164 21.947 ( 0.601 1.344 0.887) 1.719 22.012 ( 4.390 -0.867 0.331) 4.487 22.036 ( -4.896 -0.453 -1.835) 5.248 22.057 ( -0.166 -1.651 -0.749) 1.821 22.713 ( 1.037 12.263 2.683) 12.596 22.952 ( -1.671 6.079 -6.695) 9.196 23.224 ( -1.946 4.693 0.814) 5.145 23.423 ( 1.063 2.298 -6.542) 7.014 23.478 ( -3.351 0.760 -3.493) 4.900 23.484 ( 1.421 1.663 -2.900) 3.632 24.036 ( -0.058 -5.832 3.673) 6.893 24.108 ( 0.461 -3.335 -0.723) 3.443 24.496 ( 0.248 1.552 3.596) 3.925 24.612 ( 1.107 -0.404 -2.395) 2.669 24.707 ( -0.719 -2.242 1.245) 2.663 24.746 ( 0.980 -1.486 -0.411) 1.827 25.024 ( -0.986 2.644 -1.311) 3.111 25.059 ( -0.384 1.951 -1.620) 2.565 25.398 ( 4.906 -10.751 12.363) 17.103 25.636 ( -1.465 -13.018 -1.264) 13.161 ======================= Grid point 90 (38/84) ======================= q-point: ( 0.17 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 2.797 17.708 10.950) 21.007 1.306 ( 9.641 12.737 11.780) 19.848 1.646 ( 4.650 12.160 -9.860) 16.331 1.847 ( 11.128 14.360 -9.922) 20.700 2.031 ( 14.667 20.542 5.109) 25.752 2.242 ( 8.933 11.679 0.053) 14.704 2.459 ( -14.373 11.232 -1.232) 18.283 2.633 ( -9.261 8.149 1.968) 12.492 2.801 ( -2.297 11.554 2.356) 12.014 2.863 ( -1.747 6.812 -0.901) 7.090 3.058 ( -5.487 2.663 2.875) 6.743 3.145 ( -1.374 -1.426 -0.541) 2.053 3.322 ( -4.060 0.415 -2.525) 4.799 3.436 ( -6.568 5.878 -3.008) 9.313 3.531 ( 1.373 3.567 -1.752) 4.204 3.754 ( -7.417 -10.734 2.764) 13.337 3.902 ( -0.612 -6.911 -4.199) 8.110 4.032 ( -3.742 -2.626 0.354) 4.585 4.054 ( 7.696 3.468 -0.502) 8.456 4.254 ( -0.498 -6.205 1.956) 6.525 4.322 ( 4.089 -6.435 -0.360) 7.633 4.471 ( 1.178 -3.723 -0.962) 4.022 4.513 ( 0.783 -5.019 3.252) 6.032 4.634 ( 4.011 -15.147 1.348) 15.727 4.765 ( 4.628 -5.883 0.091) 7.486 4.922 ( -1.014 -4.493 -4.190) 6.227 4.975 ( 0.810 -7.221 -0.660) 7.296 5.093 ( 9.277 -14.847 -0.293) 17.509 5.149 ( 2.698 -5.842 -1.523) 6.612 5.183 ( -2.034 -2.429 -5.365) 6.231 5.297 ( -2.979 -1.272 1.995) 3.804 5.470 ( -3.847 -2.359 -1.101) 4.646 5.517 ( -8.623 -1.919 0.444) 8.845 5.571 ( -0.855 -0.409 -2.159) 2.358 5.719 ( -3.322 -3.924 -0.115) 5.143 5.798 ( 2.383 -0.766 2.153) 3.301 5.890 ( 0.788 5.045 -3.463) 6.170 6.073 ( 1.750 2.278 2.971) 4.133 6.185 ( -2.142 -5.310 -0.831) 5.785 6.221 ( 2.025 2.660 2.604) 4.238 6.332 ( -4.488 5.367 3.835) 7.978 6.351 ( -5.169 3.484 2.950) 6.896 6.505 ( 3.597 -3.434 -0.734) 5.027 6.578 ( -3.213 -0.693 1.654) 3.680 6.640 ( -0.321 -0.778 -2.981) 3.097 6.670 ( 3.412 0.118 3.365) 4.793 6.756 ( -3.008 -0.073 -4.205) 5.171 6.822 ( 1.557 0.875 -2.302) 2.913 6.954 ( 3.363 2.681 2.474) 4.962 7.074 ( -3.698 0.421 -2.864) 4.696 7.146 ( 1.526 -4.167 4.902) 6.612 7.289 ( -1.533 1.215 3.350) 3.879 7.357 ( -4.036 0.319 -0.776) 4.122 7.688 ( -3.404 1.297 -3.796) 5.261 7.842 ( 11.824 8.224 -0.384) 14.408 7.909 ( 10.540 7.092 1.575) 12.801 8.135 ( -12.412 -2.241 -1.655) 12.721 8.309 ( -9.252 -0.111 -2.012) 9.469 8.413 ( -0.745 5.564 -3.643) 6.692 8.538 ( 3.463 3.497 0.241) 4.928 8.815 ( -2.122 2.087 1.733) 3.444 8.914 ( -7.868 -0.206 0.333) 7.878 9.012 ( -9.717 3.633 3.807) 11.051 9.192 ( 0.930 -2.301 1.468) 2.883 9.256 ( -6.876 6.552 7.227) 11.935 9.318 ( 2.910 -7.360 -2.445) 8.284 9.414 ( -11.213 -1.560 -0.201) 11.323 9.602 ( 5.229 1.638 5.293) 7.619 9.692 ( -2.777 -0.756 -5.021) 5.788 9.831 ( 4.270 -0.994 -2.163) 4.889 9.919 ( 2.057 -2.321 -3.241) 4.486 10.072 ( 1.287 4.287 1.394) 4.688 10.305 ( 13.383 -0.700 -1.822) 13.525 10.559 ( 22.166 -6.641 -5.430) 23.768 11.021 ( 2.550 -5.754 4.465) 7.717 11.069 ( -0.031 -5.506 -4.409) 7.053 14.156 ( 1.916 15.565 0.742) 15.700 14.194 ( 1.429 16.546 -1.370) 16.664 14.539 ( -3.665 22.396 1.078) 22.719 14.747 ( -7.859 20.601 -9.533) 24.022 15.147 ( -2.453 -3.320 1.226) 4.306 15.294 ( -2.056 -0.466 0.545) 2.177 15.680 ( -1.566 6.578 1.270) 6.880 15.852 ( 0.075 5.441 -1.029) 5.538 16.558 ( 3.406 -2.765 0.864) 4.471 16.644 ( 4.223 -4.175 -0.514) 5.960 16.808 ( -2.265 -0.627 5.555) 6.032 17.027 ( 0.176 -3.113 -1.182) 3.335 21.923 ( -1.973 0.900 0.648) 2.263 21.933 ( -2.269 1.368 -0.871) 2.789 22.112 ( 4.108 -3.103 0.019) 5.149 22.145 ( 5.379 -3.759 -0.404) 6.575 22.808 ( 6.581 11.018 4.475) 13.591 22.922 ( 2.248 7.041 -6.514) 9.852 23.193 ( -1.404 4.027 1.024) 4.386 23.386 ( -1.065 3.417 -4.809) 5.995 23.489 ( 2.817 -1.187 1.009) 3.219 23.501 ( 2.793 1.927 -4.270) 5.454 24.024 ( -2.404 -4.804 2.704) 6.013 24.092 ( -1.793 -3.322 -0.936) 3.890 24.504 ( -0.629 0.582 1.173) 1.452 24.640 ( 2.313 -0.384 -1.291) 2.676 24.682 ( -1.571 -1.684 0.067) 2.304 24.768 ( 0.757 -1.751 0.103) 1.910 25.026 ( 1.551 1.949 0.091) 2.492 25.066 ( 1.610 1.715 -0.978) 2.547 25.460 ( -4.080 -11.543 5.751) 13.526 25.577 ( -2.765 -11.273 -0.472) 11.617 ======================= Grid point 91 (39/84) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 10.977 13.726 10.405) 20.425 1.633 ( 19.225 3.792 5.420) 20.331 1.836 ( 16.426 5.505 -5.056) 18.047 1.943 ( 6.756 12.368 -11.229) 18.020 2.111 ( -16.048 11.099 1.985) 19.613 2.311 ( 2.701 21.037 -0.737) 21.222 2.411 ( -1.471 12.576 2.504) 12.907 2.433 ( -1.270 13.080 -0.169) 13.143 2.704 ( -7.571 5.454 1.005) 9.385 2.811 ( -3.444 12.227 -3.369) 13.142 2.825 ( -16.872 -5.985 2.717) 18.107 3.087 ( -10.607 -7.388 2.472) 13.161 3.219 ( 3.323 1.721 -1.872) 4.184 3.485 ( 6.096 3.488 4.424) 8.300 3.568 ( 2.260 2.208 1.525) 3.508 3.747 ( 5.469 -9.095 1.793) 10.764 3.867 ( 1.002 -9.672 -6.301) 11.586 3.938 ( -3.135 2.292 3.974) 5.556 4.165 ( -0.133 -1.831 0.533) 1.912 4.247 ( 1.563 -1.870 -3.623) 4.366 4.392 ( 2.988 2.392 -0.285) 3.838 4.506 ( -1.275 -8.063 -1.314) 8.269 4.581 ( 8.076 -6.117 -2.542) 10.445 4.684 ( 0.716 -12.328 0.740) 12.371 4.785 ( -4.078 0.138 -4.129) 5.805 4.854 ( -3.073 -4.567 0.974) 5.591 4.988 ( 1.306 -1.892 -6.876) 7.250 5.073 ( -2.676 -0.506 -2.217) 3.512 5.126 ( -8.059 0.143 3.405) 8.750 5.223 ( 2.621 -5.415 3.287) 6.856 5.264 ( -8.545 -4.531 4.244) 10.562 5.354 ( 4.813 -6.022 -1.683) 7.891 5.541 ( 0.870 -5.488 -0.884) 5.627 5.593 ( 8.897 -3.239 1.173) 9.540 5.672 ( 1.292 -3.689 -0.703) 3.971 5.843 ( 1.638 -3.161 1.925) 4.047 5.912 ( 0.993 1.606 -1.718) 2.553 6.069 ( -4.319 0.068 -1.153) 4.471 6.138 ( 0.291 3.791 3.638) 5.263 6.187 ( -6.376 6.701 1.107) 9.316 6.269 ( -4.494 1.359 -2.531) 5.333 6.342 ( 3.167 -0.994 2.450) 4.125 6.524 ( -2.791 -2.320 2.415) 4.360 6.616 ( 1.795 -3.475 -2.041) 4.412 6.649 ( -2.454 -1.228 -4.339) 5.133 6.671 ( 7.318 -4.876 -1.916) 9.000 6.760 ( 3.400 1.060 2.485) 4.343 6.801 ( -2.821 2.770 1.952) 4.410 6.972 ( -3.814 -1.835 -1.829) 4.611 7.037 ( 1.793 2.587 4.902) 5.825 7.175 ( -1.227 -2.336 -1.277) 2.931 7.291 ( -1.670 -1.379 -0.438) 2.210 7.328 ( 2.830 0.330 5.433) 6.135 7.574 ( -4.993 -3.385 -4.410) 7.473 7.828 ( -12.527 -2.710 -1.457) 12.899 7.960 ( -7.113 0.212 -0.541) 7.137 8.133 ( 11.520 8.896 1.309) 14.614 8.240 ( 7.448 11.517 -5.825) 14.901 8.346 ( -0.747 4.963 -1.280) 5.180 8.608 ( -2.800 7.694 2.014) 8.432 8.723 ( -3.361 5.297 1.316) 6.410 8.804 ( -0.003 3.230 1.324) 3.491 8.954 ( -1.941 1.870 -1.527) 3.097 9.095 ( -8.071 2.720 6.162) 10.512 9.211 ( -7.450 -4.020 -1.490) 8.596 9.299 ( 2.418 -2.144 6.581) 7.331 9.385 ( 3.171 -7.973 -3.822) 9.393 9.603 ( -0.960 -3.647 -2.887) 4.750 9.689 ( 0.158 -0.154 3.956) 3.962 9.909 ( 3.745 -0.475 -4.450) 5.835 9.978 ( 3.542 2.181 1.832) 4.545 10.100 ( 0.338 2.748 1.911) 3.364 10.524 ( 9.564 -3.063 -2.439) 10.335 10.825 ( 5.392 -9.384 -3.333) 11.324 11.079 ( 1.169 -6.571 3.564) 7.566 11.102 ( 5.639 -6.131 -4.284) 9.367 14.212 ( 3.135 16.142 0.708) 16.459 14.235 ( 3.266 17.170 -0.524) 17.485 14.455 ( -4.197 20.165 -0.974) 20.620 14.532 ( -9.434 20.273 -2.825) 22.538 15.136 ( 0.429 1.868 0.381) 1.954 15.233 ( -3.112 3.628 0.058) 4.780 15.683 ( 0.306 4.163 1.618) 4.476 15.844 ( 0.015 5.174 -2.016) 5.553 16.629 ( 2.798 -3.290 0.639) 4.366 16.718 ( 2.968 -4.716 -0.504) 5.595 16.798 ( -1.155 -0.888 4.597) 4.823 17.013 ( -0.916 -3.218 -1.424) 3.636 21.899 ( -0.343 1.104 0.244) 1.181 21.921 ( 0.345 0.954 -0.715) 1.242 22.168 ( 1.375 -4.528 0.663) 4.779 22.209 ( 1.446 -4.930 -0.118) 5.139 22.951 ( 4.091 4.095 0.088) 5.789 22.994 ( 6.563 5.927 1.881) 9.041 23.171 ( -1.923 4.502 2.071) 5.315 23.353 ( -0.492 1.832 -1.905) 2.689 23.528 ( 3.213 -0.479 -2.169) 3.906 23.608 ( 7.142 -0.578 -2.096) 7.466 23.974 ( -3.587 -3.411 2.082) 5.370 24.030 ( -3.593 -2.793 -0.854) 4.630 24.499 ( 0.170 -0.106 0.377) 0.426 24.641 ( -1.667 -1.228 0.216) 2.081 24.685 ( 1.651 -0.990 -1.225) 2.282 24.769 ( -0.443 -1.271 -0.621) 1.483 25.071 ( 2.321 1.895 -0.603) 3.057 25.115 ( 3.462 -0.159 0.429) 3.492 25.349 ( -6.348 -7.654 0.508) 9.957 25.510 ( -4.352 -7.208 0.007) 8.420 ======================= Grid point 92 (40/84) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -17.383 15.655 5.063) 23.935 1.751 ( 12.654 11.492 6.530) 18.298 1.980 ( -5.078 8.366 5.179) 11.072 2.048 ( 2.631 15.835 -5.590) 16.998 2.144 ( 16.589 1.335 -4.349) 17.201 2.228 ( -8.032 10.338 0.738) 13.113 2.320 ( 5.471 -1.614 0.750) 5.754 2.387 ( -3.346 3.714 -3.776) 6.264 2.568 ( -2.415 7.740 -1.675) 8.279 2.688 ( 5.695 0.922 -5.023) 7.649 2.789 ( -2.815 11.125 3.750) 12.073 2.870 ( -7.389 7.591 1.102) 10.650 3.316 ( 5.209 -0.533 1.478) 5.441 3.459 ( -6.145 -3.480 1.446) 7.208 3.716 ( -3.320 -1.262 1.253) 3.766 3.741 ( 3.610 2.029 0.020) 4.141 3.871 ( -1.921 -5.287 2.724) 6.250 4.021 ( 0.947 -5.507 2.925) 6.307 4.173 ( 3.743 -7.662 -0.226) 8.530 4.237 ( 2.610 -1.347 0.706) 3.021 4.364 ( -6.060 -2.032 -8.859) 10.924 4.514 ( 4.846 -2.236 -8.156) 9.747 4.628 ( -1.780 -2.477 2.660) 4.048 4.721 ( 0.721 -5.579 0.313) 5.634 4.741 ( 4.739 1.050 0.074) 4.854 4.863 ( -3.455 -1.669 -0.432) 3.861 4.879 ( 1.570 -4.557 -3.122) 5.743 4.951 ( -0.962 -0.285 -4.047) 4.170 5.188 ( -0.445 -0.273 4.122) 4.154 5.229 ( 3.851 -5.880 6.831) 9.801 5.279 ( 0.939 -2.847 5.583) 6.337 5.399 ( 0.261 -3.696 0.460) 3.733 5.498 ( -2.074 -5.658 -5.292) 8.020 5.653 ( -1.043 -8.585 2.534) 9.012 5.808 ( -3.013 -0.691 -4.205) 5.219 5.868 ( 2.194 -5.303 1.169) 5.857 5.926 ( 4.996 1.765 2.289) 5.772 5.985 ( -4.627 -0.589 -0.225) 4.670 6.045 ( -0.966 2.286 -2.484) 3.512 6.175 ( -0.319 6.456 4.840) 8.075 6.192 ( 0.516 3.579 -5.391) 6.491 6.389 ( -0.794 -0.008 -0.010) 0.794 6.483 ( -1.908 -3.283 2.891) 4.772 6.555 ( -0.304 0.462 -4.921) 4.952 6.693 ( 2.608 -1.919 -1.000) 3.389 6.709 ( -3.862 0.086 -1.091) 4.014 6.804 ( -2.259 -7.158 0.550) 7.526 6.865 ( 2.068 -1.686 0.321) 2.687 6.896 ( 5.783 -1.357 3.145) 6.721 7.062 ( -1.703 3.341 5.545) 6.694 7.160 ( -6.117 -3.583 -5.576) 9.019 7.220 ( 2.640 -2.310 0.670) 3.572 7.400 ( -0.894 -2.476 2.728) 3.791 7.560 ( 6.679 -2.780 4.987) 8.787 7.675 ( -0.479 0.507 -5.658) 5.701 7.818 ( -3.817 1.087 -2.590) 4.740 8.284 ( -1.645 4.896 -1.069) 5.274 8.319 ( 3.386 7.151 -2.631) 8.338 8.430 ( -4.165 14.752 0.931) 15.357 8.477 ( 7.646 11.850 -1.417) 14.174 8.770 ( 2.141 4.614 2.302) 5.583 8.825 ( -0.472 2.975 3.878) 4.910 8.897 ( -3.875 1.689 -1.757) 4.578 8.988 ( -1.568 3.396 2.225) 4.352 9.095 ( -3.805 -7.708 0.588) 8.616 9.360 ( 1.518 -8.096 3.055) 8.785 9.404 ( 0.244 -3.365 -1.756) 3.803 9.593 ( 0.569 -6.797 -2.785) 7.367 9.705 ( -0.238 0.177 4.280) 4.290 9.936 ( 1.227 2.953 -5.235) 6.134 10.040 ( 0.922 2.427 3.414) 4.289 10.099 ( -0.931 1.188 1.745) 2.308 10.648 ( 3.130 -5.124 0.332) 6.013 10.821 ( -1.653 -7.954 -6.084) 10.149 11.072 ( -3.718 -6.543 2.631) 7.973 11.190 ( 3.222 -7.371 -2.247) 8.352 14.254 ( -1.038 16.592 1.059) 16.658 14.306 ( 2.805 18.645 0.616) 18.865 14.376 ( -4.069 18.224 -2.235) 18.806 14.417 ( 3.042 18.978 -1.700) 19.295 15.147 ( -0.193 3.875 1.264) 4.081 15.202 ( 0.780 4.379 -1.106) 4.583 15.694 ( -0.113 3.965 2.467) 4.671 15.830 ( -0.406 5.244 -2.981) 6.046 16.664 ( 0.300 -3.402 1.026) 3.566 16.748 ( 0.368 -4.709 -1.375) 4.920 16.806 ( -0.294 -2.225 5.376) 5.826 16.988 ( -0.410 -2.379 -2.282) 3.322 21.897 ( -0.386 1.002 0.250) 1.103 21.924 ( 0.224 0.992 -0.819) 1.306 22.185 ( 0.251 -4.817 1.061) 4.939 22.218 ( -0.034 -5.072 -0.313) 5.082 23.002 ( 0.562 2.278 1.751) 2.927 23.071 ( -2.047 0.241 -0.991) 2.287 23.153 ( 0.836 8.649 5.114) 10.083 23.356 ( 1.540 0.670 -1.267) 2.104 23.585 ( 0.794 -3.558 -0.460) 3.674 23.694 ( 3.566 -1.320 -5.153) 6.404 23.929 ( -2.428 -2.874 2.657) 4.606 23.980 ( 0.590 -1.780 -0.239) 1.890 24.518 ( 0.947 -0.645 1.838) 2.166 24.614 ( -0.658 -1.178 -0.858) 1.599 24.702 ( 0.323 -1.097 -0.426) 1.220 24.748 ( -0.900 -1.484 -2.262) 2.851 25.097 ( 0.529 1.318 -0.479) 1.499 25.162 ( -0.309 -0.310 -1.362) 1.431 25.274 ( -1.898 -4.494 4.129) 6.391 25.435 ( -0.636 -4.510 -3.073) 5.494 ======================= Grid point 93 (41/84) ======================= q-point: (-0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -16.882 15.720 8.897) 24.724 1.590 ( -24.156 7.581 3.390) 25.544 1.885 ( -12.813 2.463 -5.176) 14.037 1.969 ( -1.024 11.254 -3.722) 11.898 2.108 ( 6.891 12.100 -2.520) 14.151 2.363 ( -0.365 15.940 1.995) 16.068 2.417 ( 1.374 18.035 -0.255) 18.089 2.521 ( -5.440 11.881 -1.672) 13.174 2.582 ( 7.396 13.427 4.341) 15.932 2.722 ( 18.669 1.503 -3.373) 19.031 2.905 ( 11.013 -7.642 0.159) 13.406 2.983 ( 9.520 4.754 3.089) 11.080 3.336 ( -4.506 -0.365 -1.027) 4.636 3.417 ( 2.880 -6.306 4.785) 8.424 3.580 ( -4.029 -1.475 -3.045) 5.261 3.741 ( -6.415 -6.487 1.584) 9.259 3.839 ( 0.520 -2.007 4.041) 4.542 4.042 ( 2.574 -0.877 3.052) 4.088 4.127 ( -7.612 -0.385 -9.455) 12.145 4.251 ( 2.733 -4.502 0.486) 5.289 4.376 ( 1.452 -4.582 4.642) 6.682 4.518 ( -0.647 -4.401 -8.306) 9.422 4.615 ( -3.843 -7.687 3.446) 9.259 4.686 ( -2.061 -3.729 -2.407) 4.894 4.769 ( -0.432 1.340 -1.670) 2.184 4.894 ( 3.995 1.141 -7.408) 8.494 4.972 ( 4.255 -11.201 -2.890) 12.325 5.020 ( 8.067 2.350 1.987) 8.634 5.143 ( -4.193 -5.131 5.520) 8.625 5.248 ( -4.893 -5.554 -2.291) 7.748 5.309 ( 3.901 -1.732 3.167) 5.315 5.385 ( -1.035 -8.577 -0.191) 8.641 5.455 ( -2.873 -5.144 1.275) 6.029 5.569 ( 0.620 -0.361 0.502) 0.875 5.770 ( -2.112 -4.041 1.802) 4.903 5.830 ( -3.298 -6.357 -4.167) 8.286 5.973 ( 0.171 0.501 0.318) 0.617 6.041 ( 1.772 2.862 -2.168) 4.004 6.136 ( 8.603 4.267 1.092) 9.665 6.190 ( 5.520 5.154 5.323) 9.240 6.240 ( 2.830 4.956 0.984) 5.791 6.295 ( -5.114 -2.219 0.074) 5.575 6.489 ( 0.162 -1.352 1.395) 1.949 6.563 ( -1.375 0.657 -3.701) 4.003 6.621 ( 1.230 -1.706 -2.410) 3.199 6.684 ( -5.879 -2.538 4.141) 7.626 6.730 ( -0.951 -3.394 -0.937) 3.647 6.904 ( 1.258 -4.772 -3.529) 6.067 6.967 ( -4.371 1.763 -3.207) 5.701 7.046 ( -1.029 0.614 5.589) 5.716 7.134 ( 7.487 -3.475 5.197) 9.754 7.266 ( -0.300 -0.713 -1.498) 1.686 7.397 ( 1.360 0.215 4.600) 4.802 7.641 ( -1.517 2.851 -8.279) 8.887 7.813 ( 13.513 -2.671 3.341) 14.174 7.876 ( 9.609 -1.164 -3.012) 10.137 8.109 ( -9.655 10.369 0.182) 14.169 8.228 ( -9.060 8.403 -2.158) 12.544 8.425 ( 2.205 10.558 -3.637) 11.382 8.700 ( 8.042 5.207 1.173) 9.652 8.757 ( -4.770 1.349 -3.437) 6.032 8.823 ( 4.151 7.173 4.826) 9.590 8.838 ( 0.614 3.371 2.978) 4.540 9.032 ( -1.224 -5.419 4.748) 7.308 9.115 ( 7.626 1.737 -0.452) 7.834 9.365 ( -1.007 -10.309 -4.057) 11.124 9.416 ( 0.642 -0.624 5.465) 5.538 9.593 ( 0.683 -6.148 -1.883) 6.466 9.711 ( -0.820 -1.651 2.150) 2.832 9.910 ( -1.410 3.996 -4.137) 5.922 10.040 ( -1.461 2.339 1.292) 3.046 10.096 ( -0.780 1.627 2.948) 3.456 10.607 ( -8.779 -7.284 -1.369) 11.489 10.729 ( -5.665 -6.278 -5.127) 9.889 10.969 ( -5.698 -5.898 0.147) 8.202 11.200 ( -1.151 -7.072 -0.733) 7.202 14.197 ( -3.334 16.058 0.215) 16.402 14.267 ( -3.570 17.634 0.212) 17.993 14.419 ( 5.550 19.648 -1.471) 20.470 14.557 ( 10.485 19.382 -2.552) 22.183 15.148 ( 0.388 1.739 0.197) 1.793 15.242 ( 2.758 3.121 -0.084) 4.166 15.705 ( 0.147 4.960 3.174) 5.891 15.803 ( -0.561 5.947 -3.288) 6.819 16.650 ( -2.160 -3.928 0.818) 4.557 16.718 ( -2.473 -4.056 -1.794) 5.078 16.832 ( -0.352 -3.706 7.108) 8.024 16.982 ( 1.013 -1.672 -2.884) 3.485 21.885 ( -0.495 0.903 0.071) 1.032 21.925 ( 0.256 0.971 -0.506) 1.124 22.184 ( -1.249 -4.687 0.881) 4.930 22.208 ( -1.090 -4.783 -0.378) 4.920 22.909 ( -9.306 6.404 0.699) 11.318 23.035 ( -0.634 1.741 0.873) 2.048 23.210 ( 1.985 5.512 2.476) 6.360 23.395 ( 2.685 0.389 -1.226) 2.977 23.517 ( -4.428 -2.106 -1.113) 5.028 23.757 ( 1.961 -3.570 -8.655) 9.566 23.892 ( -0.267 -3.122 6.072) 6.833 24.038 ( 3.373 -2.656 -0.434) 4.315 24.525 ( -1.663 0.148 1.812) 2.464 24.609 ( 0.491 -1.427 -1.996) 2.502 24.692 ( -0.317 -1.466 -1.055) 1.834 24.734 ( 0.331 -1.672 -0.680) 1.835 25.099 ( -0.228 0.564 1.297) 1.432 25.122 ( -2.027 1.420 -0.936) 2.647 25.229 ( -3.337 -0.769 1.020) 3.574 25.504 ( 6.406 -7.975 -0.060) 10.229 ======================= Grid point 94 (42/84) ======================= q-point: (-0.17 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -11.277 18.824 12.843) 25.425 1.223 ( -10.626 16.792 6.672) 20.962 1.696 ( -2.166 8.968 -7.655) 11.988 1.811 ( -10.390 19.939 -3.237) 22.716 2.013 ( -13.008 17.539 -2.267) 21.954 2.256 ( -7.868 12.921 1.468) 15.199 2.488 ( 11.054 9.481 -0.116) 14.563 2.684 ( 10.829 7.275 0.655) 13.062 2.725 ( 4.175 14.388 1.331) 15.040 2.914 ( -1.327 5.223 1.711) 5.654 3.077 ( 2.379 6.506 0.926) 6.989 3.196 ( 16.402 -1.805 2.859) 16.747 3.281 ( -0.114 2.341 -5.080) 5.594 3.516 ( -0.363 1.299 -7.582) 7.701 3.560 ( 0.669 -3.686 4.081) 5.540 3.662 ( 3.297 -7.548 0.741) 8.270 3.914 ( 5.225 -5.977 -3.953) 8.869 4.006 ( 0.300 -5.896 0.153) 5.905 4.110 ( 0.891 0.708 0.979) 1.501 4.230 ( -4.288 -1.950 3.136) 5.659 4.357 ( -7.857 -4.510 0.910) 9.105 4.438 ( -0.477 -6.365 -4.948) 8.076 4.542 ( -2.893 -6.629 6.382) 9.646 4.593 ( -2.986 -7.544 -1.915) 8.336 4.762 ( -3.122 -7.453 0.595) 8.102 4.879 ( -1.109 -5.149 -2.480) 5.821 4.964 ( -4.304 -10.340 -0.920) 11.238 5.079 ( 2.008 -1.890 1.071) 2.958 5.169 ( 2.383 -8.249 -2.834) 9.042 5.193 ( 2.184 -5.488 -5.760) 8.250 5.395 ( -4.545 -1.998 1.169) 5.101 5.416 ( 6.915 -5.467 -0.520) 8.831 5.556 ( 8.146 0.647 1.691) 8.345 5.580 ( 3.251 -1.663 -1.720) 4.037 5.690 ( -3.371 -4.305 -3.231) 6.351 5.734 ( -4.046 -0.698 0.653) 4.157 5.970 ( 0.444 2.377 -1.078) 2.647 6.083 ( 2.602 -3.278 0.891) 4.279 6.174 ( -1.668 4.570 3.529) 6.010 6.248 ( -2.428 0.057 3.977) 4.660 6.286 ( 3.152 0.547 -0.156) 3.203 6.444 ( 6.747 3.954 5.571) 9.602 6.470 ( -2.850 -1.264 0.291) 3.131 6.532 ( 2.703 1.185 -2.547) 3.898 6.610 ( 0.967 -0.520 0.515) 1.213 6.648 ( -3.386 -0.011 -0.150) 3.390 6.738 ( 6.469 -1.596 -2.946) 7.285 6.860 ( -5.075 3.223 -2.109) 6.371 6.918 ( 1.138 -2.117 0.735) 2.514 7.093 ( -0.670 -4.814 2.697) 5.558 7.153 ( -2.307 1.709 1.141) 3.089 7.315 ( 2.530 -1.687 2.270) 3.795 7.488 ( 5.420 1.010 5.252) 7.614 7.575 ( -0.540 5.391 -8.407) 10.002 7.780 ( -11.920 8.438 -0.392) 14.609 7.984 ( -7.559 5.740 0.672) 9.515 8.075 ( 7.028 1.648 -2.112) 7.521 8.251 ( 13.764 1.684 -0.665) 13.883 8.439 ( 0.945 6.739 -1.616) 6.994 8.638 ( -5.003 0.323 -5.165) 7.198 8.838 ( 8.039 -0.390 0.964) 8.106 8.869 ( 1.010 -0.198 2.999) 3.171 8.983 ( 2.627 -0.548 9.203) 9.586 9.101 ( 10.609 5.958 -2.192) 12.363 9.296 ( 5.209 -0.914 1.344) 5.456 9.324 ( 4.638 -4.468 0.786) 6.488 9.452 ( -0.212 3.251 2.950) 4.395 9.604 ( 0.941 -5.891 0.954) 6.042 9.697 ( -0.948 -3.016 -1.841) 3.658 9.859 ( -1.544 -1.043 -2.280) 2.944 10.003 ( -2.794 3.156 -2.374) 4.837 10.084 ( -1.688 3.088 2.838) 4.521 10.295 ( -18.975 -2.732 -4.754) 19.751 10.479 ( -16.179 -3.310 -4.917) 17.231 10.919 ( 0.150 -5.379 0.908) 5.457 11.157 ( -2.348 -6.325 -0.916) 6.808 14.147 ( -1.715 15.490 0.314) 15.588 14.212 ( -1.789 16.686 -0.886) 16.805 14.519 ( 4.200 22.301 0.438) 22.698 14.763 ( 11.350 18.448 -8.631) 23.316 15.176 ( 2.706 -2.881 0.351) 3.969 15.279 ( 0.015 -0.526 0.626) 0.818 15.734 ( 1.002 6.170 3.322) 7.078 15.797 ( 1.805 6.877 -2.785) 7.636 16.591 ( -3.809 -4.145 0.622) 5.664 16.643 ( -4.034 -3.557 -1.301) 5.533 16.846 ( -1.869 -4.094 7.917) 9.107 16.997 ( 1.657 -1.562 -2.675) 3.513 21.898 ( 2.112 1.273 0.062) 2.467 21.940 ( 1.839 0.835 -0.275) 2.039 22.128 ( -4.470 -3.424 0.100) 5.632 22.156 ( -4.440 -3.755 -0.453) 5.833 22.749 ( -5.782 11.044 1.234) 12.527 23.012 ( -1.665 2.499 -2.021) 3.619 23.241 ( 0.038 4.665 1.400) 4.870 23.430 ( 0.758 0.328 -2.993) 3.105 23.463 ( 0.171 -0.571 0.227) 0.638 23.635 ( -6.348 0.328 -13.359) 14.795 23.981 ( 3.328 -5.772 6.238) 9.127 24.087 ( 1.929 -3.094 -0.790) 3.730 24.490 ( -1.606 1.757 2.055) 3.145 24.609 ( 0.327 -0.723 -1.337) 1.555 24.697 ( 0.830 -2.236 -0.143) 2.389 24.740 ( 0.160 -1.452 0.251) 1.482 25.065 ( -2.154 2.294 -1.380) 3.436 25.095 ( -1.602 1.557 -2.592) 3.422 25.240 ( 3.461 -3.724 9.603) 10.866 25.615 ( 3.761 -11.540 0.407) 12.144 ======================= Grid point 95 (43/84) ======================= q-point: ( 0.00 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -1.927 20.577 8.896) 22.501 1.732 ( -0.992 24.063 6.781) 25.020 1.941 ( 5.880 11.713 -8.092) 15.403 2.131 ( 0.624 18.017 -4.070) 18.481 2.175 ( 1.598 17.920 -1.378) 18.044 2.279 ( -3.888 10.669 1.157) 11.414 2.772 ( 3.750 4.266 3.276) 6.557 2.857 ( -4.419 0.920 5.068) 6.787 2.986 ( -3.998 7.063 -2.918) 8.624 3.037 ( 3.330 5.765 -0.743) 6.699 3.206 ( -0.592 0.027 -2.940) 2.999 3.248 ( -2.375 2.563 1.116) 3.668 3.432 ( -11.995 -1.225 -1.102) 12.108 3.555 ( 6.206 -7.080 3.246) 9.959 3.603 ( 2.441 1.418 -2.439) 3.731 3.720 ( 6.749 2.245 0.259) 7.118 3.839 ( 6.531 -5.915 -9.741) 13.135 3.898 ( -2.521 -9.129 -1.987) 9.677 4.003 ( -4.753 -3.764 2.795) 6.676 4.064 ( 2.396 -1.085 4.618) 5.315 4.204 ( 5.608 -1.885 1.602) 6.130 4.249 ( -3.513 -0.157 -1.549) 3.843 4.371 ( -6.691 -2.893 7.518) 10.472 4.421 ( 1.263 -6.985 -0.443) 7.112 4.624 ( 2.129 -1.248 -2.847) 3.768 4.688 ( 2.195 -8.320 0.247) 8.608 4.780 ( -2.662 -4.294 0.099) 5.053 4.873 ( -3.113 -8.055 -4.690) 9.827 5.117 ( 1.047 -4.141 -4.155) 5.960 5.177 ( 4.012 -4.249 -2.187) 6.239 5.258 ( -5.379 -1.263 4.126) 6.896 5.417 ( 3.757 -5.036 4.100) 7.503 5.571 ( -3.157 1.229 -6.033) 6.919 5.608 ( -0.128 -0.352 -3.464) 3.485 5.649 ( 3.268 -0.203 0.364) 3.294 5.767 ( 0.595 -1.127 0.893) 1.555 6.028 ( 0.384 -4.630 0.473) 4.670 6.065 ( 1.082 3.758 2.909) 4.874 6.117 ( -4.090 -6.385 -2.102) 7.869 6.231 ( 0.627 4.132 0.026) 4.180 6.241 ( -0.393 -3.409 5.316) 6.327 6.393 ( 1.921 -6.001 2.449) 6.760 6.473 ( 1.357 -4.288 -0.541) 4.530 6.576 ( -1.485 2.063 -6.404) 6.890 6.685 ( -0.581 1.433 2.169) 2.663 6.728 ( -6.100 0.869 2.301) 6.577 6.753 ( 5.426 1.212 -1.127) 5.673 6.924 ( -3.114 4.701 -1.963) 5.971 6.944 ( 3.813 -0.070 -0.104) 3.815 6.974 ( 2.054 0.827 -1.056) 2.453 7.168 ( -0.788 0.581 4.239) 4.350 7.293 ( -1.254 -2.026 -0.448) 2.424 7.613 ( -9.016 7.338 1.408) 11.710 7.754 ( 9.491 4.528 3.462) 11.071 7.830 ( 3.410 7.775 -2.802) 8.940 7.950 ( -6.016 5.327 -1.421) 8.161 8.248 ( 9.222 -1.693 -0.935) 9.422 8.321 ( -8.178 -2.778 -2.801) 9.080 8.514 ( -3.812 3.329 0.328) 5.071 8.627 ( 8.201 2.387 -2.242) 8.830 8.784 ( -1.921 -3.257 5.197) 6.428 8.883 ( -1.217 -0.044 -0.281) 1.250 9.014 ( -0.019 -6.382 -3.865) 7.461 9.098 ( 2.753 -7.538 -3.959) 8.948 9.323 ( -3.821 -4.599 8.855) 10.684 9.451 ( -5.385 -1.072 4.071) 6.835 9.539 ( -4.287 1.044 1.464) 4.649 9.583 ( 5.106 5.449 0.274) 7.472 9.668 ( 7.605 -0.152 1.616) 7.776 9.775 ( -1.548 -1.300 0.665) 2.128 9.983 ( -9.517 1.465 -3.610) 10.284 10.040 ( 6.392 2.507 -4.290) 8.097 10.201 ( -1.329 6.858 1.091) 7.070 10.323 ( 3.134 3.834 -4.380) 6.611 10.824 ( 1.968 -7.335 3.066) 8.190 10.970 ( -1.427 -7.633 -2.585) 8.185 14.442 ( -0.007 14.247 0.774) 14.268 14.509 ( 0.022 14.328 -1.861) 14.449 15.027 ( 4.458 11.769 -0.495) 12.595 15.072 ( -4.526 4.680 -1.119) 6.606 15.148 ( 0.051 2.473 2.662) 3.634 15.313 ( 1.136 12.404 -4.358) 13.196 15.924 ( -1.545 11.353 1.558) 11.563 16.009 ( 1.261 10.853 -1.706) 11.059 16.432 ( -0.754 -6.836 1.194) 6.980 16.482 ( 0.126 -7.835 -0.757) 7.873 16.775 ( -1.109 -4.099 4.646) 6.294 16.940 ( 0.720 -5.723 -2.213) 6.178 21.963 ( 0.180 0.287 0.794) 0.863 21.993 ( 2.013 -0.879 0.366) 2.227 22.018 ( -1.025 -1.348 -0.800) 1.873 22.027 ( -1.181 -1.107 -0.788) 1.800 22.921 ( 0.825 8.080 1.976) 8.359 23.039 ( -0.577 3.288 -2.266) 4.035 23.342 ( -1.511 6.051 0.244) 6.241 23.419 ( 0.001 -0.799 -0.243) 0.836 23.456 ( -0.871 -0.756 0.219) 1.174 23.566 ( 0.439 3.612 -7.321) 8.175 23.913 ( 0.220 -6.040 4.892) 7.776 24.018 ( 0.307 -5.589 -0.945) 5.677 24.531 ( 0.182 1.789 1.596) 2.404 24.599 ( 0.529 -0.677 -1.359) 1.608 24.659 ( -0.225 -2.349 1.525) 2.809 24.709 ( 0.425 -2.133 -0.474) 2.226 25.075 ( -1.166 2.087 -1.352) 2.746 25.095 ( -0.023 1.622 -1.184) 2.009 25.251 ( 2.458 -4.622 5.600) 7.666 25.403 ( -0.930 -9.453 -1.526) 9.620 ======================= Grid point 96 (44/84) ======================= q-point: ( 0.17 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -2.891 14.053 5.258) 15.281 1.658 ( 1.518 19.265 8.051) 20.935 1.900 ( -5.308 13.194 -8.011) 16.322 2.058 ( 4.924 9.278 -8.435) 13.471 2.428 ( 15.950 15.196 6.450) 22.955 2.530 ( 12.843 11.820 -2.941) 17.701 2.696 ( -9.632 11.084 -0.751) 14.704 2.739 ( -9.266 3.478 4.060) 10.698 2.965 ( 2.319 4.537 4.041) 6.503 3.012 ( -4.112 4.277 -0.811) 5.989 3.075 ( -17.595 -2.731 3.527) 18.152 3.181 ( -2.828 0.720 -1.378) 3.228 3.272 ( -2.814 3.279 -1.235) 4.494 3.487 ( -5.482 -9.074 -0.241) 10.604 3.603 ( 1.628 5.429 -0.543) 5.694 3.666 ( -8.594 0.843 -2.125) 8.893 3.789 ( -0.163 1.209 -2.945) 3.187 3.969 ( 5.777 -6.758 -1.229) 8.975 4.062 ( 1.988 -2.281 0.103) 3.028 4.161 ( -2.576 -5.143 1.866) 6.047 4.238 ( 6.637 3.788 -1.797) 7.850 4.286 ( 5.428 -8.706 3.504) 10.841 4.410 ( 3.972 -2.265 -1.192) 4.726 4.558 ( 5.348 0.715 -2.041) 5.768 4.654 ( 5.208 -4.429 0.808) 6.884 4.763 ( 3.845 -9.514 2.661) 10.601 4.804 ( 7.982 -8.525 1.889) 11.830 4.880 ( 4.566 -5.094 -3.643) 7.751 5.102 ( -4.228 -0.229 -2.906) 5.136 5.115 ( 0.461 -3.825 -4.126) 5.645 5.256 ( -3.295 -2.566 3.908) 5.720 5.423 ( -2.387 -6.746 1.446) 7.301 5.443 ( -6.718 0.059 1.365) 6.856 5.553 ( -4.421 -2.218 -3.884) 6.289 5.671 ( -0.520 -0.134 -3.600) 3.640 5.812 ( 2.682 1.636 1.444) 3.458 5.990 ( -3.893 -3.657 -1.496) 5.547 6.044 ( -0.747 1.007 -0.491) 1.347 6.106 ( 3.173 -0.225 2.329) 3.942 6.263 ( 0.431 -0.058 1.653) 1.709 6.322 ( 5.172 -4.160 3.382) 7.449 6.397 ( -2.309 -0.798 0.700) 2.541 6.474 ( -1.394 -2.565 -0.539) 2.969 6.548 ( -1.690 -3.710 -1.886) 4.492 6.574 ( -4.892 1.675 -1.465) 5.375 6.705 ( -0.079 4.138 2.243) 4.707 6.783 ( -1.700 0.469 -2.064) 2.714 6.856 ( 0.181 2.943 -1.648) 3.378 7.020 ( 4.316 3.011 1.104) 5.377 7.050 ( 3.479 -2.782 1.086) 4.585 7.115 ( -6.295 1.741 1.843) 6.786 7.280 ( -0.812 -1.701 0.543) 1.962 7.445 ( -6.207 6.725 2.035) 9.375 7.705 ( -9.242 0.636 -3.472) 9.893 7.923 ( 0.763 -2.382 1.410) 2.871 8.022 ( 1.889 2.580 0.077) 3.198 8.126 ( -1.684 3.366 -2.100) 4.310 8.349 ( 1.456 3.357 2.809) 4.613 8.510 ( 3.727 4.129 -6.138) 8.284 8.593 ( -4.953 2.363 -0.539) 5.514 8.845 ( 1.521 -1.262 2.018) 2.824 8.870 ( 0.304 -1.162 -1.050) 1.595 8.960 ( -3.510 -6.226 1.578) 7.320 9.112 ( -0.663 -7.075 -2.550) 7.550 9.230 ( -5.180 -2.453 4.888) 7.533 9.324 ( -5.056 4.549 2.495) 7.244 9.435 ( -7.024 1.217 2.988) 7.730 9.674 ( -4.135 0.512 0.787) 4.241 9.689 ( 2.093 3.062 1.172) 3.890 9.825 ( 5.586 3.093 -2.414) 6.826 9.919 ( 4.793 0.777 -2.240) 5.347 10.159 ( -0.237 4.003 -0.358) 4.026 10.297 ( 11.192 -0.032 0.475) 11.202 10.468 ( 12.250 -1.926 -3.681) 12.935 10.883 ( 1.931 -7.771 3.711) 8.826 10.939 ( 0.292 -7.200 -4.007) 8.245 14.465 ( 1.913 14.010 0.891) 14.168 14.517 ( 1.670 14.325 -1.818) 14.537 14.926 ( -6.753 11.136 -1.514) 13.111 15.021 ( -8.688 1.399 1.499) 8.926 15.172 ( 5.027 13.324 -0.696) 14.258 15.360 ( 2.807 9.584 -2.062) 10.198 15.871 ( -3.400 11.879 1.413) 12.436 16.005 ( -0.723 9.678 -1.369) 9.801 16.463 ( 2.795 -6.819 0.862) 7.420 16.520 ( 3.421 -8.168 -0.542) 8.872 16.767 ( -1.735 -3.852 4.298) 6.026 16.935 ( -0.197 -6.230 -2.124) 6.585 21.936 ( -1.575 0.453 0.457) 1.701 21.954 ( -1.924 0.789 -0.587) 2.161 22.052 ( 2.302 -2.769 -0.117) 3.603 22.078 ( 3.027 -2.900 0.016) 4.192 22.977 ( 3.135 5.995 2.023) 7.061 23.028 ( 0.934 3.942 -2.160) 4.591 23.310 ( -1.449 6.235 0.598) 6.429 23.411 ( -1.309 0.468 0.114) 1.394 23.459 ( 1.469 -1.486 0.749) 2.220 23.567 ( 2.467 3.706 -5.574) 7.133 23.919 ( -1.457 -5.323 3.631) 6.607 24.003 ( -1.387 -5.516 -1.244) 5.822 24.525 ( -1.097 1.327 0.215) 1.735 24.621 ( 1.919 -1.180 -0.296) 2.272 24.644 ( -1.492 -1.959 0.406) 2.496 24.721 ( 0.546 -2.774 0.019) 2.827 25.066 ( 0.688 1.793 0.178) 1.929 25.104 ( 1.233 1.838 -1.056) 2.452 25.286 ( -1.802 -6.026 2.388) 6.727 25.382 ( 0.123 -7.661 -0.594) 7.685 ======================= Grid point 97 (45/84) ======================= q-point: ( 0.33 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 8.438 1.823 2.684) 9.040 1.805 ( 8.735 13.587 3.896) 16.615 1.908 ( 9.222 2.937 -3.178) 10.187 2.170 ( 8.831 8.850 -6.730) 14.199 2.343 ( -13.500 7.659 -3.444) 15.899 2.470 ( -14.998 2.539 3.961) 15.719 2.612 ( -18.615 -11.095 0.922) 21.690 2.752 ( -14.164 0.910 -1.252) 14.249 2.777 ( 0.590 17.416 3.084) 17.697 2.818 ( 4.242 17.153 4.726) 18.291 3.056 ( 2.209 9.536 3.280) 10.324 3.121 ( -2.658 9.531 -2.451) 10.194 3.286 ( 5.231 3.832 0.208) 6.487 3.509 ( 2.361 -4.039 1.654) 4.962 3.552 ( 0.834 -4.690 -2.878) 5.565 3.691 ( 6.832 8.648 -0.965) 11.063 3.805 ( 2.322 0.967 1.738) 3.058 3.999 ( -3.129 2.500 1.946) 4.453 4.017 ( -3.781 -7.614 -1.646) 8.659 4.174 ( 3.373 -8.820 -0.375) 9.450 4.364 ( -5.456 -3.241 3.066) 7.048 4.420 ( 4.523 -8.768 0.510) 9.879 4.437 ( 12.414 2.363 -1.222) 12.696 4.566 ( 0.328 2.879 -6.590) 7.199 4.760 ( 2.894 -4.079 -2.743) 5.704 4.811 ( -3.443 1.612 -3.958) 5.488 4.890 ( 5.349 -6.900 -0.538) 8.748 5.004 ( -1.006 -4.551 -0.316) 4.672 5.108 ( 1.306 -4.549 -0.754) 4.792 5.147 ( 7.744 -3.061 3.433) 9.007 5.200 ( 2.482 -3.867 2.129) 5.064 5.272 ( -11.218 3.619 4.561) 12.639 5.415 ( -3.761 -6.519 -1.370) 7.650 5.477 ( 1.820 -7.123 1.186) 7.447 5.687 ( 5.501 1.810 -3.378) 6.704 5.824 ( -1.629 0.159 -0.175) 1.646 5.891 ( -3.873 -3.751 0.187) 5.394 6.064 ( 3.249 2.374 -1.829) 4.420 6.199 ( 3.335 0.248 3.417) 4.781 6.208 ( -9.598 -3.542 -0.481) 10.242 6.316 ( 1.149 -0.114 0.832) 1.423 6.396 ( -5.725 6.806 1.567) 9.031 6.490 ( -1.187 -1.242 -0.032) 1.718 6.517 ( 7.663 -4.292 0.530) 8.799 6.556 ( 1.992 -5.600 -2.041) 6.285 6.629 ( -5.122 -0.371 -3.345) 6.129 6.782 ( 0.847 1.987 -2.190) 3.076 6.853 ( -1.384 1.948 2.000) 3.116 6.986 ( -5.759 2.142 -4.110) 7.392 7.090 ( 1.052 2.050 5.249) 5.732 7.121 ( 1.846 -1.832 0.626) 2.675 7.242 ( -1.885 -1.986 -0.726) 2.832 7.400 ( -0.853 4.681 5.566) 7.323 7.505 ( -8.148 -3.301 -2.150) 9.051 7.765 ( -8.240 -3.963 -1.972) 9.354 7.923 ( -7.607 -3.638 0.681) 8.459 8.283 ( 9.396 5.941 0.765) 11.143 8.406 ( -4.139 3.068 -3.360) 6.151 8.492 ( 9.725 10.131 -0.136) 14.044 8.665 ( 6.419 -0.929 -1.467) 6.650 8.807 ( -4.798 1.314 -0.186) 4.978 8.857 ( -1.891 -1.030 2.961) 3.661 8.930 ( -1.536 -3.273 3.120) 4.776 9.057 ( -4.168 -5.098 0.262) 6.590 9.145 ( -3.225 0.307 -1.373) 3.519 9.227 ( -5.289 2.953 0.183) 6.061 9.427 ( 3.079 1.759 0.627) 3.601 9.564 ( -4.419 0.556 -2.099) 4.923 9.743 ( 1.020 5.086 4.797) 7.065 9.927 ( 5.666 2.856 -3.437) 7.216 10.017 ( 3.610 1.612 2.398) 4.624 10.145 ( -1.163 1.740 1.284) 2.456 10.466 ( 6.394 -2.333 -1.479) 6.965 10.659 ( 5.880 -6.548 -2.772) 9.226 10.918 ( 0.967 -9.088 1.683) 9.293 10.969 ( 3.571 -6.998 -2.332) 8.195 14.523 ( 3.289 13.557 1.011) 13.987 14.560 ( 3.464 13.827 -1.454) 14.328 14.789 ( -5.813 10.532 -1.889) 12.177 14.845 ( -8.691 9.277 0.884) 12.743 15.258 ( 3.480 12.163 0.112) 12.651 15.378 ( -0.042 11.635 -1.111) 11.688 15.831 ( -1.349 10.406 2.069) 10.695 15.983 ( -0.442 8.712 -2.072) 8.966 16.523 ( 2.389 -7.261 0.824) 7.688 16.584 ( 2.845 -8.494 -0.703) 8.986 16.749 ( -1.867 -4.207 4.091) 6.158 16.917 ( -0.470 -6.461 -2.219) 6.847 21.920 ( -0.307 0.919 0.257) 1.002 21.937 ( 0.195 0.661 -0.834) 1.082 22.082 ( 0.704 -3.881 0.476) 3.973 22.116 ( 0.738 -4.250 0.119) 4.315 23.025 ( 1.702 3.436 -0.481) 3.864 23.069 ( 2.377 2.431 0.731) 3.478 23.302 ( 0.185 5.931 1.613) 6.149 23.381 ( -1.823 2.476 1.706) 3.517 23.494 ( 1.454 -2.869 0.135) 3.219 23.617 ( 4.669 1.437 -4.552) 6.677 23.895 ( -2.219 -4.232 2.584) 5.432 23.954 ( -2.494 -4.763 -1.429) 5.563 24.508 ( -0.319 0.967 0.125) 1.026 24.612 ( -1.548 -1.537 -0.068) 2.183 24.656 ( 1.490 -1.666 -0.476) 2.285 24.721 ( -0.462 -3.160 -0.584) 3.247 25.101 ( 2.323 0.902 0.859) 2.635 25.125 ( 1.121 1.109 -0.605) 1.689 25.237 ( -2.582 -3.396 0.611) 4.309 25.376 ( -1.018 -5.735 -0.605) 5.856 ======================= Grid point 98 (46/84) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 2.923 -4.023 3.140) 5.881 2.012 ( -2.671 -0.758 -3.911) 4.796 2.085 ( 9.411 6.759 2.334) 11.820 2.137 ( -1.177 -0.218 2.181) 2.488 2.175 ( -12.180 3.973 2.336) 13.022 2.259 ( 4.648 -7.747 -2.392) 9.346 2.391 ( 6.302 14.751 -2.930) 16.307 2.445 ( -9.003 2.540 -3.347) 9.935 2.844 ( 3.400 15.755 2.001) 16.241 2.892 ( 1.647 16.709 0.862) 16.812 3.019 ( -6.006 10.075 3.853) 12.346 3.151 ( 3.289 11.561 2.205) 12.220 3.383 ( 3.323 4.046 1.361) 5.410 3.469 ( -3.539 5.186 -3.235) 7.062 3.608 ( -0.303 -4.447 -0.134) 4.459 3.770 ( -4.560 1.341 -2.464) 5.354 3.857 ( 0.532 3.169 7.853) 8.485 3.934 ( -3.033 -7.561 -1.034) 8.212 3.992 ( 6.313 -6.322 -2.962) 9.412 4.207 ( 1.084 -3.454 0.328) 3.635 4.259 ( -5.816 -3.784 2.836) 7.496 4.424 ( -1.473 -7.085 -7.600) 10.494 4.571 ( 1.176 -1.928 0.251) 2.272 4.682 ( 10.906 1.045 -0.702) 10.978 4.783 ( 0.500 3.884 -2.885) 4.864 4.793 ( 2.281 -0.845 -4.246) 4.893 4.872 ( 0.747 -3.234 -2.562) 4.193 4.948 ( -7.811 2.763 0.358) 8.293 5.105 ( 0.529 -3.574 5.386) 6.486 5.183 ( 1.379 -2.026 2.152) 3.262 5.242 ( -1.327 -4.480 1.914) 5.049 5.322 ( 1.627 -6.704 3.442) 7.710 5.341 ( -1.924 -2.642 -1.654) 3.663 5.479 ( 0.980 -7.586 1.563) 7.807 5.739 ( -2.487 -5.707 -2.103) 6.571 5.821 ( 1.206 0.974 -2.547) 2.982 5.922 ( -3.268 -3.474 3.818) 6.109 6.002 ( 4.561 2.494 -1.104) 5.314 6.147 ( 4.263 6.059 -1.027) 7.479 6.274 ( 0.965 3.342 3.070) 4.639 6.311 ( -1.986 5.764 -3.453) 7.007 6.364 ( -1.621 -1.785 0.707) 2.513 6.393 ( -2.983 -4.689 3.451) 6.542 6.521 ( -2.458 -3.319 -3.810) 5.619 6.626 ( 3.004 -5.044 -1.491) 6.057 6.647 ( 2.655 -5.362 1.689) 6.217 6.730 ( -4.616 1.177 -5.935) 7.610 6.832 ( -1.798 -1.440 -3.976) 4.595 6.893 ( 3.061 1.149 2.193) 3.937 7.076 ( -4.588 -0.977 -1.278) 4.862 7.164 ( -1.407 2.701 1.420) 3.361 7.216 ( 4.492 1.534 2.534) 5.381 7.376 ( -2.967 0.217 3.849) 4.865 7.516 ( 6.936 -1.833 5.784) 9.215 7.671 ( 0.041 -1.252 -3.471) 3.691 7.811 ( -2.788 -2.200 -1.996) 4.074 8.356 ( -0.754 2.077 -0.598) 2.289 8.415 ( 2.393 3.222 -1.114) 4.165 8.647 ( 3.886 4.310 0.300) 5.811 8.687 ( -4.152 7.853 -0.973) 8.936 8.787 ( -3.902 -7.780 2.831) 9.153 8.817 ( 5.520 -1.695 2.984) 6.500 8.920 ( -0.712 2.202 0.162) 2.321 8.994 ( -0.948 0.809 0.279) 1.277 9.094 ( -2.062 7.580 -0.754) 7.892 9.169 ( 0.832 -5.691 -1.604) 5.971 9.465 ( -1.939 4.143 -1.787) 4.911 9.491 ( 0.495 -3.478 -2.002) 4.044 9.770 ( -1.030 5.898 5.550) 8.164 10.006 ( 3.489 3.520 -3.994) 6.365 10.081 ( 1.083 2.293 3.881) 4.636 10.119 ( -1.718 0.866 2.382) 3.062 10.535 ( 0.555 -5.749 -0.282) 5.783 10.683 ( -0.069 -5.101 -5.604) 7.578 10.913 ( -3.190 -8.965 2.623) 9.871 11.029 ( 2.632 -8.385 -2.039) 9.022 14.567 ( -1.224 13.260 1.036) 13.357 14.640 ( 5.286 12.874 -1.423) 13.989 14.695 ( -5.617 12.107 -0.190) 13.348 14.731 ( 1.712 10.626 -0.860) 10.798 15.302 ( 0.246 12.374 1.095) 12.425 15.367 ( 0.158 12.614 -1.615) 12.718 15.830 ( -0.021 9.478 2.778) 9.876 15.968 ( 0.043 8.619 -2.819) 9.069 16.553 ( -0.025 -7.612 1.063) 7.686 16.615 ( 0.554 -8.516 -1.289) 8.631 16.738 ( -1.075 -4.797 4.423) 6.613 16.903 ( 0.355 -6.177 -2.411) 6.640 21.916 ( -0.447 0.906 0.083) 1.013 21.940 ( 0.311 0.577 -0.820) 1.050 22.093 ( 0.269 -4.163 0.927) 4.273 22.119 ( -0.112 -4.615 -0.108) 4.618 23.052 ( 0.524 2.557 0.884) 2.755 23.086 ( -0.812 1.313 -0.503) 1.624 23.326 ( 0.940 7.188 2.506) 7.670 23.366 ( -0.121 1.261 1.781) 2.186 23.510 ( -0.419 -3.683 0.229) 3.714 23.670 ( 2.679 -0.714 -5.269) 5.954 23.860 ( -2.684 -3.743 2.272) 5.136 23.924 ( 0.916 -3.884 -0.837) 4.077 24.518 ( 0.834 0.542 1.243) 1.592 24.588 ( -0.626 -1.245 -0.919) 1.669 24.673 ( 0.160 -1.711 -0.203) 1.731 24.699 ( -0.860 -2.963 -1.659) 3.503 25.120 ( -0.556 0.938 0.159) 1.102 25.159 ( 1.634 -0.217 -0.498) 1.722 25.212 ( -0.645 -1.556 3.008) 3.448 25.344 ( -0.742 -4.125 -2.485) 4.873 ======================= Grid point 99 (47/84) ======================= q-point: (-0.33 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -11.849 4.751 3.542) 13.248 1.803 ( -10.805 12.266 1.927) 16.460 1.920 ( -9.241 5.768 -2.368) 11.148 2.149 ( -3.021 5.828 -5.071) 8.296 2.342 ( 8.464 8.258 -4.118) 12.522 2.491 ( 18.018 -11.699 1.911) 21.568 2.581 ( 14.287 3.073 1.573) 14.698 2.618 ( 14.530 -1.996 2.084) 14.813 2.832 ( -7.249 22.192 2.927) 23.529 2.945 ( 3.575 14.370 0.376) 14.813 2.983 ( 2.009 12.196 4.846) 13.277 3.199 ( -0.115 7.257 -1.285) 7.371 3.330 ( -6.005 4.054 -0.681) 7.277 3.424 ( -1.852 4.737 -1.718) 5.368 3.549 ( 0.555 -1.726 -0.723) 1.952 3.646 ( -3.918 -0.618 1.253) 4.160 3.805 ( -4.420 -3.992 0.417) 5.970 3.936 ( 0.041 -3.138 1.197) 3.359 4.138 ( 7.338 -5.249 -0.933) 9.071 4.159 ( -4.523 0.144 0.105) 4.527 4.276 ( 2.388 -5.511 5.158) 7.917 4.346 ( -3.773 -4.775 -5.526) 8.221 4.528 ( -4.496 -4.790 0.973) 6.641 4.664 ( -7.099 -1.370 -4.682) 8.614 4.778 ( -4.654 -5.087 -5.947) 9.105 4.847 ( -0.999 3.797 0.917) 4.032 4.872 ( 7.028 -4.733 -6.880) 10.915 4.990 ( -2.426 -4.013 4.943) 6.813 5.052 ( -2.678 -3.316 1.800) 4.627 5.090 ( -3.412 -5.355 -0.299) 6.357 5.251 ( -0.727 -4.340 5.339) 6.919 5.311 ( 4.185 -1.126 -1.248) 4.510 5.379 ( 1.876 -1.740 4.035) 4.778 5.548 ( 4.249 -3.189 -0.703) 5.359 5.695 ( -3.361 -1.154 -1.942) 4.050 5.751 ( 0.490 -1.179 -2.661) 2.952 5.982 ( 2.224 -0.891 1.021) 2.604 6.108 ( -4.304 3.037 -6.679) 8.506 6.187 ( 2.641 -1.707 3.199) 4.486 6.216 ( 1.845 -1.321 0.613) 2.350 6.297 ( -1.227 3.009 5.757) 6.611 6.330 ( 2.812 3.884 1.656) 5.073 6.445 ( 1.732 -1.984 1.407) 2.986 6.525 ( 1.949 -4.031 -2.130) 4.959 6.592 ( -2.520 -1.071 -7.591) 8.070 6.655 ( -0.770 -1.896 6.103) 6.437 6.679 ( 1.105 -0.205 -2.867) 3.080 6.822 ( 3.307 -2.167 -3.846) 5.516 6.977 ( -2.162 0.280 -1.186) 2.481 7.046 ( 3.534 -0.785 3.517) 5.048 7.130 ( -0.053 2.094 1.695) 2.694 7.282 ( 1.166 1.562 0.014) 1.950 7.414 ( 3.664 1.324 4.161) 5.700 7.672 ( 1.618 0.325 -5.384) 5.631 7.759 ( 12.763 -2.489 4.548) 13.776 7.826 ( 6.007 -4.478 -1.801) 7.706 8.282 ( -6.382 6.400 1.083) 9.103 8.365 ( -6.262 5.261 -2.267) 8.487 8.600 ( -1.099 4.722 -3.877) 6.208 8.679 ( -1.910 -5.846 -0.577) 6.177 8.757 ( 0.362 1.567 1.122) 1.960 8.874 ( -2.712 0.179 2.972) 4.028 8.958 ( 2.197 3.921 5.507) 7.108 9.018 ( 5.746 3.164 0.212) 6.563 9.116 ( 3.830 -5.113 -3.022) 7.067 9.215 ( 3.722 1.292 -0.893) 4.040 9.404 ( -1.172 -1.992 1.159) 2.585 9.526 ( 2.816 0.011 -1.751) 3.316 9.749 ( -3.190 5.059 4.027) 7.210 9.981 ( -4.493 2.534 -3.488) 6.227 10.077 ( -0.652 1.343 1.990) 2.488 10.156 ( 1.844 4.412 3.143) 5.722 10.466 ( -7.201 -6.160 -1.908) 9.666 10.620 ( -5.116 -4.123 -3.489) 7.439 10.829 ( -4.539 -7.710 0.318) 8.953 11.040 ( -0.584 -8.578 -0.776) 8.632 14.508 ( -3.390 13.711 0.354) 14.128 14.595 ( -3.892 13.495 -0.731) 14.064 14.756 ( 6.975 11.622 -1.516) 13.639 14.850 ( 8.347 8.251 0.478) 11.747 15.272 ( -3.198 12.312 0.209) 12.723 15.373 ( 0.544 10.901 -1.263) 10.988 15.856 ( 1.322 9.813 2.934) 10.327 15.961 ( 0.726 9.748 -2.906) 10.198 16.531 ( -2.439 -7.743 0.837) 8.161 16.592 ( -2.269 -8.482 -1.066) 8.845 16.749 ( -0.157 -4.970 4.690) 6.835 16.910 ( 1.379 -5.679 -2.491) 6.353 21.906 ( -0.219 1.130 0.020) 1.152 21.940 ( 0.160 0.582 -0.554) 0.819 22.096 ( -0.719 -4.016 0.568) 4.119 22.115 ( -0.455 -4.317 -0.020) 4.341 23.014 ( -4.111 4.149 -0.251) 5.846 23.074 ( -0.366 2.040 0.573) 2.150 23.351 ( 0.522 7.553 1.851) 7.794 23.397 ( 2.118 -0.203 1.271) 2.478 23.471 ( -2.807 -2.102 0.177) 3.511 23.691 ( 1.353 -2.494 -6.947) 7.504 23.824 ( -1.317 -3.574 4.330) 5.766 23.965 ( 2.599 -4.604 -0.709) 5.334 24.535 ( -0.235 0.820 1.017) 1.327 24.578 ( 0.471 -1.259 -1.320) 1.884 24.658 ( -0.715 -1.856 -0.367) 2.022 24.695 ( 0.562 -2.142 -0.399) 2.250 25.110 ( -0.467 0.619 1.217) 1.442 25.151 ( -1.371 1.242 -1.239) 2.226 25.210 ( -1.442 -1.112 1.013) 2.084 25.357 ( 2.639 -6.093 -0.658) 6.672 ======================= Grid point 100 (48/84) ======================= q-point: (-0.17 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 3.828 17.751 5.752) 19.049 1.613 ( -9.252 21.776 6.939) 24.657 1.870 ( 5.521 8.741 -7.494) 12.769 2.067 ( 0.180 9.690 -7.437) 12.217 2.376 ( -12.539 14.836 2.629) 19.602 2.554 ( -8.230 8.307 -0.164) 11.695 2.668 ( -0.817 9.663 1.205) 9.773 2.850 ( 5.847 8.038 4.854) 11.061 2.905 ( 5.094 -1.141 0.940) 5.304 2.990 ( 6.404 7.960 -0.243) 10.219 3.177 ( 13.111 2.038 0.205) 13.270 3.245 ( 3.823 -1.185 2.037) 4.491 3.305 ( 3.127 1.542 -0.082) 3.488 3.409 ( 6.300 -2.439 0.222) 6.759 3.608 ( 1.538 2.454 -2.500) 3.826 3.642 ( 2.919 3.608 -0.255) 4.648 3.757 ( 1.311 -8.518 -7.231) 11.250 3.897 ( -2.849 -1.170 1.737) 3.536 4.083 ( -3.661 -3.349 1.207) 5.106 4.183 ( -4.892 -3.745 2.056) 6.495 4.237 ( -5.712 -2.961 -3.536) 7.341 4.303 ( -2.312 -2.900 3.969) 5.432 4.420 ( -3.793 -4.652 -2.141) 6.373 4.541 ( -1.538 -3.372 -1.644) 4.055 4.592 ( -8.758 -9.132 1.946) 12.802 4.756 ( -6.722 -1.815 2.373) 7.356 4.868 ( -5.076 -2.929 -1.489) 6.047 4.951 ( -0.913 -10.112 -3.246) 10.659 5.068 ( 3.837 -0.319 -0.361) 3.868 5.116 ( 2.053 -3.363 -1.958) 4.400 5.280 ( 4.457 -5.667 1.436) 7.351 5.350 ( -1.052 -2.804 2.220) 3.728 5.551 ( 5.287 -0.761 1.968) 5.693 5.596 ( 2.287 2.048 -7.262) 7.884 5.642 ( 3.276 -0.940 -2.331) 4.129 5.728 ( -1.954 -0.324 1.482) 2.473 6.011 ( 1.625 -0.060 -0.963) 1.890 6.034 ( -0.188 -0.254 -1.648) 1.678 6.132 ( -0.759 -6.652 3.691) 7.645 6.274 ( -3.876 -0.562 4.394) 5.886 6.297 ( -4.069 1.854 1.443) 4.698 6.381 ( -0.629 -4.708 -1.244) 4.910 6.477 ( 0.188 -2.373 -2.589) 3.517 6.568 ( 5.302 2.519 -0.919) 5.941 6.595 ( 6.750 -0.468 2.550) 7.231 6.663 ( 0.965 1.914 0.175) 2.150 6.765 ( 4.741 2.537 -0.446) 5.395 6.893 ( 0.084 -1.690 0.797) 1.870 6.908 ( 0.860 3.039 -3.262) 4.540 7.028 ( -3.360 -0.746 2.017) 3.989 7.178 ( -0.855 0.514 1.879) 2.127 7.301 ( 0.999 -0.191 -0.145) 1.027 7.542 ( 7.546 3.332 4.879) 9.584 7.672 ( 2.170 4.100 -5.571) 7.250 7.871 ( -2.512 -0.641 -0.514) 2.643 8.031 ( 6.980 0.851 1.060) 7.111 8.180 ( -7.667 6.092 -2.772) 10.178 8.275 ( 7.701 1.247 2.796) 8.287 8.560 ( -2.782 5.034 -0.832) 5.811 8.610 ( -2.934 -2.851 -6.326) 7.533 8.798 ( 0.707 -1.181 3.475) 3.738 8.865 ( 2.728 0.455 -1.363) 3.083 8.975 ( 0.837 0.586 2.089) 2.326 9.116 ( -1.701 -8.993 -2.461) 9.478 9.219 ( 9.015 0.273 5.974) 10.818 9.328 ( 7.986 -0.184 1.744) 8.176 9.466 ( 5.450 -1.712 2.588) 6.271 9.575 ( 2.036 2.816 -0.742) 3.554 9.687 ( -4.673 3.249 1.643) 5.923 9.842 ( -6.755 -0.541 -2.409) 7.192 10.057 ( -2.313 2.097 0.063) 3.123 10.170 ( -2.859 2.915 -1.019) 4.208 10.272 ( -8.864 1.929 0.214) 9.074 10.427 ( -10.478 -1.209 -4.028) 11.291 10.790 ( 0.164 -7.181 0.838) 7.231 11.011 ( -1.675 -8.064 -1.105) 8.310 14.457 ( -1.845 14.175 0.523) 14.304 14.534 ( -1.791 14.034 -1.463) 14.224 14.895 ( 7.495 10.224 -1.185) 12.732 15.029 ( 8.616 4.113 1.191) 9.622 15.187 ( -5.151 10.798 -0.590) 11.978 15.356 ( -1.700 10.054 -2.153) 10.422 15.904 ( 1.922 10.487 2.341) 10.916 15.978 ( 2.228 11.005 -2.320) 11.466 16.475 ( -3.273 -7.448 0.817) 8.177 16.525 ( -3.482 -8.147 -0.748) 8.891 16.767 ( -0.369 -4.631 4.784) 6.669 16.928 ( 1.456 -5.458 -2.388) 6.133 21.922 ( 1.928 1.137 0.252) 2.253 21.951 ( 1.354 0.307 -0.384) 1.440 22.064 ( -2.519 -2.943 -0.084) 3.875 22.087 ( -2.515 -3.086 -0.011) 3.981 22.937 ( -2.926 7.336 0.624) 7.923 23.061 ( -0.834 2.412 -0.598) 2.621 23.359 ( -0.274 5.643 0.053) 5.650 23.425 ( -0.783 0.606 1.170) 1.533 23.450 ( 1.116 -1.045 0.955) 1.803 23.631 ( -2.395 -0.165 -9.371) 9.673 23.865 ( 1.776 -5.432 6.004) 8.289 24.003 ( 1.557 -5.220 -0.903) 5.522 24.524 ( -0.406 1.647 0.352) 1.732 24.593 ( 0.770 -0.749 -0.113) 1.080 24.652 ( 0.087 -2.048 0.237) 2.063 24.705 ( 0.370 -2.062 -0.030) 2.095 25.106 ( -0.876 1.498 -0.844) 1.930 25.117 ( -1.180 0.871 -1.300) 1.960 25.193 ( 0.145 -1.307 3.239) 3.496 25.403 ( 1.449 -8.841 -0.107) 8.959 ======================= Grid point 101 (49/84) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -3.473 21.579 3.601) 22.151 2.143 ( 0.219 15.567 -0.700) 15.584 2.235 ( 3.366 18.230 0.438) 18.544 2.403 ( 2.429 9.170 3.110) 9.983 2.461 ( 5.193 5.651 -0.557) 7.695 2.552 ( -6.172 15.854 -6.750) 18.303 2.757 ( 1.222 -5.664 3.440) 6.739 2.853 ( -1.621 -0.124 2.874) 3.302 2.983 ( -0.915 -6.605 -4.275) 7.920 3.074 ( 1.290 -3.192 -1.721) 3.849 3.163 ( -1.023 1.204 0.614) 1.695 3.264 ( -2.041 -4.058 -0.861) 4.623 3.319 ( -1.902 -8.882 0.395) 9.092 3.427 ( -0.880 -5.582 1.936) 5.973 3.503 ( -4.615 -5.703 -0.514) 7.354 3.562 ( 7.464 -13.658 -4.502) 16.203 3.745 ( 1.526 -3.579 1.459) 4.155 3.802 ( -0.924 0.181 -1.343) 1.640 4.065 ( 2.894 5.383 0.787) 6.162 4.118 ( 1.561 4.261 2.155) 5.024 4.232 ( -3.579 4.726 3.898) 7.095 4.281 ( -0.493 0.896 -0.833) 1.319 4.412 ( -1.632 3.711 1.462) 4.309 4.478 ( 0.469 7.402 4.765) 8.815 4.571 ( 6.531 1.120 -1.164) 6.728 4.589 ( -1.026 -3.438 -2.695) 4.487 4.716 ( -1.176 -1.274 0.567) 1.824 4.762 ( -3.983 -3.067 -1.427) 5.225 4.991 ( -1.859 -6.614 4.276) 8.092 5.079 ( 4.752 -5.931 -3.569) 8.395 5.261 ( -3.094 2.169 2.143) 4.344 5.353 ( 1.193 -1.721 3.326) 3.930 5.570 ( -4.032 -0.132 -3.823) 5.558 5.612 ( -1.637 -0.828 -6.323) 6.584 5.697 ( 6.385 2.582 -1.641) 7.080 5.760 ( -1.300 4.157 -2.584) 5.064 5.899 ( -1.989 -7.619 -1.141) 7.957 5.953 ( 2.723 -5.742 -3.020) 7.036 6.100 ( 2.816 -9.433 2.248) 10.098 6.149 ( -1.338 0.621 2.789) 3.155 6.238 ( 1.178 -6.226 0.070) 6.337 6.344 ( -0.864 -0.538 0.497) 1.133 6.433 ( -2.234 5.490 0.173) 5.930 6.609 ( 2.716 1.330 -6.503) 7.172 6.692 ( -4.708 -0.658 -0.425) 4.773 6.717 ( 0.372 -1.772 2.626) 3.189 6.811 ( 2.119 3.535 3.314) 5.289 6.922 ( 3.156 -1.904 -0.301) 3.699 6.998 ( -2.418 3.952 1.225) 4.792 7.059 ( 1.303 5.656 -1.661) 6.038 7.161 ( -0.161 -1.766 2.914) 3.411 7.250 ( -1.534 -2.654 -0.262) 3.076 7.736 ( -5.309 4.526 3.350) 7.739 7.811 ( 6.149 0.988 4.576) 7.728 7.981 ( 1.703 7.000 -1.996) 7.476 8.041 ( -5.073 3.688 -1.375) 6.421 8.201 ( 4.262 -2.571 -0.186) 4.981 8.247 ( -3.250 -3.856 -1.244) 5.194 8.574 ( -2.481 1.592 -0.115) 2.950 8.611 ( 8.377 -2.212 -2.252) 8.952 8.787 ( -3.252 1.878 -0.240) 3.763 8.876 ( -2.751 -3.010 -3.493) 5.369 8.883 ( -0.637 -1.949 -0.330) 2.077 8.982 ( 1.994 -4.802 -4.090) 6.615 9.259 ( -2.098 -0.788 6.650) 7.018 9.373 ( 2.265 -5.072 2.473) 6.080 9.564 ( -5.073 2.210 4.067) 6.867 9.652 ( 2.915 -1.428 4.866) 5.849 9.715 ( 1.330 5.370 -1.347) 5.694 9.792 ( 2.702 1.534 -0.216) 3.115 10.007 ( -6.734 1.235 -2.515) 7.293 10.066 ( 3.116 -0.302 -4.243) 5.273 10.339 ( -0.477 6.977 1.491) 7.151 10.442 ( 1.106 7.781 -2.657) 8.296 10.664 ( 1.831 -8.276 2.797) 8.926 10.803 ( -0.991 -8.819 -2.602) 9.248 14.689 ( -0.129 10.124 0.672) 10.147 14.747 ( 0.246 9.260 -1.696) 9.417 14.981 ( 0.427 -4.930 0.789) 5.011 15.017 ( -0.226 -5.105 -0.687) 5.156 15.545 ( -0.429 21.842 1.346) 21.887 15.635 ( 0.626 17.116 -2.239) 17.273 16.179 ( 0.429 12.489 1.339) 12.568 16.243 ( -1.639 -6.668 -0.036) 6.867 16.262 ( -2.540 -0.642 -0.841) 2.751 16.276 ( 3.431 -2.695 -0.455) 4.386 16.652 ( -0.598 -8.204 3.152) 8.809 16.782 ( 0.424 -9.932 -2.035) 10.148 21.964 ( -0.244 -0.076 0.432) 0.502 21.977 ( 0.811 -0.712 0.072) 1.081 21.995 ( 0.271 -0.607 -0.162) 0.684 22.007 ( -0.840 -0.878 -0.491) 1.311 23.046 ( 0.394 4.484 0.888) 4.588 23.093 ( -0.262 1.909 -0.813) 2.091 23.375 ( 0.670 -0.936 -0.323) 1.195 23.398 ( -1.548 -1.792 -1.114) 2.616 23.541 ( -0.895 7.792 1.280) 7.947 23.631 ( 0.705 2.982 -3.160) 4.402 23.802 ( 0.524 -4.716 3.728) 6.034 23.886 ( 0.085 -7.243 -0.592) 7.267 24.566 ( 0.263 1.666 0.185) 1.697 24.589 ( 0.062 -0.221 -0.672) 0.710 24.619 ( -0.218 -1.405 1.200) 1.860 24.662 ( 0.210 -2.394 -0.509) 2.457 25.105 ( -0.927 1.073 -0.431) 1.482 25.125 ( 0.303 1.039 -0.977) 1.458 25.190 ( 0.851 -1.548 2.252) 2.862 25.260 ( -0.231 -4.792 -0.919) 4.885 ======================= Grid point 102 (50/84) ======================= q-point: ( 0.17 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -11.002 16.428 2.277) 19.902 2.042 ( -1.398 18.047 3.209) 18.384 2.176 ( -14.780 13.171 -5.072) 20.437 2.270 ( 3.476 11.390 -2.567) 12.182 2.537 ( -6.882 -4.416 0.724) 8.209 2.610 ( -1.044 -1.827 -1.614) 2.652 2.720 ( -4.134 -7.912 3.916) 9.748 2.802 ( -5.857 -3.117 1.532) 6.810 2.971 ( -0.617 -1.177 0.345) 1.373 3.074 ( 1.411 6.727 0.405) 6.885 3.150 ( -0.017 4.241 2.076) 4.722 3.178 ( 3.210 -1.065 -5.129) 6.144 3.298 ( 4.660 1.932 1.926) 5.400 3.368 ( -1.358 -1.846 -3.951) 4.568 3.594 ( 0.149 -4.495 1.199) 4.654 3.643 ( 4.356 -3.615 0.057) 5.661 3.808 ( 1.046 -3.234 -0.601) 3.452 3.843 ( 5.468 -1.498 -1.204) 5.796 4.054 ( -3.604 1.692 1.674) 4.319 4.178 ( 2.447 4.776 1.355) 5.535 4.264 ( 6.019 0.095 0.036) 6.019 4.317 ( 2.987 5.671 2.227) 6.786 4.384 ( -2.183 0.024 0.907) 2.364 4.547 ( 1.660 -5.495 1.488) 5.930 4.559 ( 6.705 -0.996 3.421) 7.593 4.676 ( -2.179 -1.887 -3.288) 4.373 4.753 ( 9.813 2.808 -1.787) 10.362 4.804 ( 7.441 1.766 1.027) 7.717 5.003 ( 1.011 -6.474 0.955) 6.622 5.157 ( 1.979 2.089 -3.221) 4.320 5.216 ( -1.098 -0.006 6.004) 6.103 5.295 ( -7.006 -3.520 0.021) 7.841 5.427 ( -6.525 -2.477 -2.538) 7.426 5.491 ( -7.713 -3.652 -2.315) 8.842 5.712 ( 0.171 3.914 -5.584) 6.822 5.846 ( 3.468 -1.732 -2.410) 4.565 5.886 ( 1.330 1.705 1.614) 2.698 5.998 ( 2.795 -6.242 -2.025) 7.133 6.115 ( 0.767 -5.258 -3.200) 6.203 6.151 ( -0.265 -5.778 1.642) 6.013 6.270 ( -0.293 -4.065 1.954) 4.519 6.363 ( 2.154 -4.045 1.026) 4.696 6.413 ( 1.086 5.118 -1.277) 5.385 6.561 ( -4.420 1.038 0.603) 4.580 6.611 ( -3.085 2.235 -0.412) 3.832 6.754 ( 0.530 -2.937 -2.810) 4.099 6.834 ( 0.514 6.624 3.010) 7.294 6.938 ( -2.692 4.826 0.486) 5.548 6.996 ( 3.731 -2.038 -0.539) 4.286 7.089 ( 2.179 3.714 1.028) 4.427 7.135 ( -3.618 -0.480 2.047) 4.185 7.242 ( -1.087 -2.329 0.115) 2.573 7.578 ( -7.966 5.691 2.945) 10.223 7.722 ( -14.654 0.905 -3.429) 15.077 7.822 ( -7.878 -4.784 2.806) 9.634 7.986 ( -9.879 -5.068 1.763) 11.242 8.236 ( 7.413 5.904 -1.627) 9.615 8.400 ( 10.745 0.144 2.175) 10.964 8.582 ( 5.085 3.758 -5.944) 8.678 8.649 ( -9.193 3.346 -1.170) 9.853 8.773 ( 0.414 -4.256 4.854) 6.468 8.841 ( 0.944 -4.765 -1.262) 5.019 8.878 ( 1.501 0.224 -2.564) 2.980 8.969 ( -0.709 -5.577 -2.440) 6.128 9.229 ( -1.307 2.007 2.324) 3.337 9.364 ( -1.341 -3.000 3.032) 4.471 9.466 ( -6.632 4.569 3.062) 8.616 9.639 ( -3.816 -3.041 0.343) 4.891 9.782 ( 4.026 4.981 0.601) 6.432 9.914 ( 6.526 -0.666 0.302) 6.567 9.945 ( 2.819 6.397 -1.909) 7.246 10.183 ( 5.361 -2.958 -1.028) 6.209 10.344 ( 2.037 6.067 1.219) 6.515 10.495 ( 4.875 4.028 -2.136) 6.674 10.713 ( 1.145 -8.706 2.207) 9.054 10.786 ( 1.268 -7.728 -3.117) 8.429 14.702 ( 1.150 9.431 0.676) 9.525 14.753 ( 1.091 9.030 -1.582) 9.232 14.955 ( -3.096 -3.648 0.086) 4.785 14.987 ( -2.368 -2.832 -0.053) 3.692 15.564 ( 1.592 20.931 0.831) 21.008 15.653 ( 1.902 16.778 -1.613) 16.963 16.126 ( -3.915 10.482 1.303) 11.265 16.202 ( -2.086 3.725 -1.319) 4.468 16.287 ( 3.036 -8.900 0.563) 9.421 16.346 ( 3.489 -2.969 -0.513) 4.610 16.644 ( -1.648 -8.390 3.143) 9.110 16.771 ( -0.487 -10.001 -2.090) 10.228 21.946 ( -0.894 0.640 0.183) 1.115 21.969 ( -1.152 0.764 -0.181) 1.394 22.002 ( 0.879 -2.131 -0.219) 2.316 22.027 ( 1.196 -2.184 0.116) 2.493 23.070 ( 1.236 3.401 0.661) 3.679 23.091 ( 0.569 2.251 -0.582) 2.394 23.359 ( -1.440 -0.206 -0.925) 1.724 23.399 ( 1.469 -2.143 0.492) 2.644 23.525 ( -1.207 7.527 1.117) 7.704 23.636 ( 1.180 3.118 -2.482) 4.156 23.817 ( -0.546 -4.536 2.854) 5.387 23.874 ( -1.002 -6.973 -0.989) 7.113 24.553 ( -1.143 1.317 -0.360) 1.781 24.600 ( 0.642 -1.041 -0.469) 1.310 24.611 ( -0.651 -0.805 1.002) 1.441 24.664 ( 0.090 -2.579 -0.232) 2.591 25.098 ( 0.259 1.429 0.334) 1.491 25.133 ( 0.842 0.756 -0.925) 1.462 25.205 ( -0.268 -1.953 0.961) 2.193 25.266 ( 1.177 -4.053 -0.438) 4.243 ======================= Grid point 103 (51/84) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -3.914 7.749 1.803) 8.867 1.949 ( -4.400 4.309 -3.568) 7.117 2.072 ( -0.445 5.057 1.148) 5.205 2.212 ( -12.255 -4.792 -1.331) 13.225 2.334 ( -9.708 -3.653 0.808) 10.404 2.485 ( 0.737 4.441 -1.710) 4.816 2.584 ( -8.052 4.153 -3.204) 9.610 2.713 ( -6.686 -4.281 3.622) 8.726 2.999 ( 1.603 3.154 1.460) 3.827 3.082 ( 1.678 8.179 1.343) 8.456 3.188 ( 1.801 1.802 0.072) 2.549 3.296 ( 0.105 3.545 -3.556) 5.022 3.360 ( 5.094 5.163 -0.117) 7.254 3.445 ( 7.361 2.942 2.121) 8.206 3.571 ( 1.747 1.866 -1.012) 2.749 3.739 ( 1.880 -5.266 2.097) 5.972 3.773 ( -0.845 -0.276 1.830) 2.034 3.965 ( 2.361 -2.144 0.158) 3.194 4.039 ( 2.783 1.504 3.032) 4.382 4.144 ( -5.659 11.076 2.133) 12.619 4.290 ( -3.064 -1.711 -0.200) 3.515 4.375 ( 3.946 2.869 -2.464) 5.465 4.472 ( 7.693 -3.733 3.290) 9.162 4.599 ( -3.791 -2.763 -3.083) 5.613 4.648 ( 6.258 -6.805 -1.947) 9.448 4.751 ( 8.671 -3.717 -1.863) 9.616 4.903 ( 3.750 -1.266 -1.228) 4.144 4.947 ( 3.962 8.784 -1.918) 9.825 5.037 ( 2.965 -0.892 -3.430) 4.621 5.111 ( 1.879 0.151 2.322) 2.991 5.216 ( 0.097 3.531 5.459) 6.502 5.262 ( -6.257 -7.255 -3.122) 10.076 5.325 ( -0.737 -3.133 7.106) 7.801 5.357 ( -1.398 -2.433 -1.027) 2.988 5.701 ( -2.217 -0.337 -2.313) 3.222 5.783 ( -2.082 0.164 -3.889) 4.414 5.882 ( -2.110 -0.513 4.453) 4.954 6.057 ( -5.019 -8.010 -4.141) 10.320 6.104 ( 4.686 -0.818 -0.997) 4.861 6.187 ( 6.963 -3.472 -3.883) 8.695 6.281 ( 0.144 -0.256 3.273) 3.286 6.416 ( 0.411 -3.438 1.666) 3.842 6.449 ( 1.872 -1.308 -0.707) 2.391 6.496 ( -1.035 0.290 1.649) 1.968 6.553 ( -2.416 3.751 -2.480) 5.105 6.649 ( -7.467 1.013 -2.908) 8.078 6.854 ( -0.708 5.180 -1.374) 5.406 6.898 ( -2.018 2.911 -1.725) 3.940 6.999 ( -4.494 -1.009 -6.739) 8.162 7.104 ( 1.429 0.330 5.919) 6.098 7.151 ( -0.200 3.086 5.240) 6.085 7.199 ( 0.295 -2.396 -0.473) 2.460 7.453 ( -8.561 -1.089 -0.443) 8.641 7.505 ( -2.735 5.183 4.783) 7.564 7.658 ( -6.245 -5.946 -0.789) 8.660 7.817 ( -6.987 -6.664 2.061) 9.873 8.386 ( 6.418 4.580 0.294) 7.890 8.457 ( -7.308 2.640 0.064) 7.770 8.591 ( 6.402 -4.558 -1.274) 7.962 8.658 ( 1.240 1.757 -1.318) 2.522 8.693 ( -3.635 -4.265 2.792) 6.261 8.834 ( -2.319 -1.766 1.321) 3.199 8.927 ( 3.326 1.156 -1.157) 3.706 8.974 ( 1.726 -2.191 -2.518) 3.758 9.217 ( -0.592 5.597 -0.727) 5.675 9.354 ( -5.669 6.864 1.947) 9.113 9.397 ( 3.012 -2.971 -0.117) 4.232 9.558 ( -3.176 -2.377 -2.136) 4.505 9.866 ( 3.266 5.716 3.041) 7.252 9.995 ( 3.625 0.760 -0.902) 3.812 10.061 ( 5.272 4.795 2.594) 7.584 10.183 ( -2.251 1.994 -0.862) 3.128 10.428 ( 2.632 -1.023 1.862) 3.382 10.589 ( 4.938 -0.394 -2.750) 5.666 10.725 ( 0.068 -9.154 0.491) 9.167 10.824 ( 2.936 -7.130 -2.208) 8.020 14.740 ( 2.131 7.831 0.751) 8.151 14.776 ( 1.995 7.721 -1.372) 8.091 14.883 ( -3.566 0.545 -0.352) 3.625 14.926 ( -3.581 0.293 0.111) 3.594 15.605 ( 1.947 19.617 0.490) 19.719 15.681 ( 1.231 16.779 -0.994) 16.853 16.069 ( -2.398 10.765 1.728) 11.163 16.165 ( -0.767 5.543 -1.879) 5.902 16.343 ( 2.047 -9.123 0.808) 9.385 16.403 ( 2.302 -6.096 -0.680) 6.551 16.620 ( -2.017 -8.611 3.159) 9.391 16.749 ( -0.537 -10.045 -2.133) 10.283 21.938 ( -0.109 0.961 0.154) 0.979 21.954 ( -0.178 1.128 -0.599) 1.290 22.013 ( 0.251 -2.910 0.298) 2.936 22.039 ( 0.074 -3.243 0.133) 3.246 23.088 ( 0.765 2.640 -0.200) 2.756 23.111 ( 0.943 1.616 0.384) 1.910 23.341 ( -0.255 0.321 0.424) 0.590 23.425 ( 0.662 -3.567 0.221) 3.635 23.510 ( -0.653 8.050 1.642) 8.242 23.657 ( 1.960 2.274 -2.470) 3.888 23.809 ( -1.238 -4.118 1.676) 4.615 23.839 ( -1.698 -6.399 -1.154) 6.720 24.534 ( -0.458 1.479 -0.048) 1.549 24.584 ( -0.966 -1.137 -0.218) 1.508 24.626 ( 0.872 -1.116 0.037) 1.416 24.659 ( -0.579 -2.691 -0.324) 2.772 25.117 ( 1.221 0.765 0.989) 1.747 25.141 ( 0.075 0.083 -0.283) 0.304 25.205 ( 0.159 -0.006 0.136) 0.209 25.282 ( 0.380 -3.609 -0.791) 3.714 ======================= Grid point 104 (52/84) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 3.591 -1.425 2.752) 4.743 1.921 ( -0.561 -6.263 -2.632) 6.817 1.964 ( -6.088 -6.023 0.056) 8.564 2.042 ( 5.044 -8.513 -1.220) 9.970 2.297 ( 2.998 7.118 -1.114) 7.803 2.428 ( -6.119 11.803 -2.114) 13.462 2.490 ( -3.187 2.255 0.971) 4.023 2.657 ( 3.321 9.525 -2.255) 10.337 3.023 ( -0.274 0.797 1.861) 2.043 3.126 ( 0.491 4.329 1.506) 4.610 3.210 ( 1.749 1.424 -1.367) 2.637 3.273 ( 0.466 10.424 0.840) 10.468 3.424 ( 1.012 1.391 1.497) 2.281 3.529 ( -0.265 2.530 -2.480) 3.552 3.652 ( 4.539 1.604 6.509) 8.096 3.741 ( -3.315 -3.638 1.351) 5.104 3.778 ( -2.607 -5.391 2.657) 6.551 3.964 ( 0.919 5.098 -4.622) 6.943 4.055 ( -2.340 11.480 3.543) 12.241 4.121 ( 2.582 -2.756 4.180) 5.633 4.233 ( -3.181 2.326 4.036) 5.641 4.360 ( -5.179 3.144 -9.683) 11.423 4.501 ( 0.286 -6.108 -2.167) 6.488 4.624 ( 6.607 -8.603 0.334) 10.853 4.729 ( -2.521 -5.638 -3.372) 7.036 4.866 ( 9.789 3.303 -0.852) 10.366 4.932 ( -7.975 2.166 2.632) 8.673 4.958 ( -1.394 -2.691 -7.262) 7.869 5.022 ( -0.477 2.160 3.146) 3.846 5.137 ( -0.788 -4.044 -4.323) 5.973 5.170 ( -2.554 0.272 -0.751) 2.676 5.273 ( 3.295 1.192 6.668) 7.532 5.309 ( -2.798 -2.523 -2.158) 4.342 5.390 ( 2.513 0.919 4.608) 5.329 5.700 ( 4.939 2.510 2.761) 6.190 5.809 ( -0.259 -4.579 5.667) 7.291 5.838 ( -1.829 -1.759 -0.527) 2.592 6.005 ( 5.287 -3.815 -0.966) 6.591 6.219 ( 3.713 -2.080 -3.588) 5.567 6.241 ( -1.183 -3.911 -3.621) 5.459 6.297 ( -2.729 0.655 1.494) 3.179 6.377 ( 3.053 2.065 0.710) 3.754 6.438 ( -4.942 3.408 -2.858) 6.649 6.447 ( -2.333 -2.780 -1.041) 3.776 6.556 ( 1.400 -1.284 -3.024) 3.571 6.574 ( 2.949 -2.724 1.533) 4.297 6.754 ( -5.561 1.264 -7.086) 9.096 6.809 ( -2.769 -1.029 -6.239) 6.903 6.940 ( 1.047 3.813 2.235) 4.543 7.090 ( -3.358 1.259 -2.492) 4.367 7.190 ( 1.806 0.718 5.829) 6.144 7.254 ( 3.047 0.707 3.221) 4.490 7.424 ( -1.868 4.494 2.933) 5.682 7.488 ( 4.049 0.016 5.187) 6.580 7.615 ( 1.537 -4.343 -0.078) 4.608 7.724 ( -3.133 -6.212 -0.115) 6.958 8.379 ( -1.029 0.881 1.181) 1.797 8.475 ( 2.209 2.999 -0.252) 3.733 8.552 ( -4.708 -8.596 1.774) 9.960 8.663 ( 0.708 -5.049 -1.012) 5.198 8.770 ( 3.914 0.172 1.249) 4.112 8.800 ( -0.076 0.963 0.328) 1.020 8.960 ( 0.525 1.925 -1.212) 2.335 9.006 ( 2.457 -0.247 -1.587) 2.936 9.204 ( -3.267 6.451 1.147) 7.321 9.266 ( -0.758 8.122 -1.265) 8.255 9.427 ( -1.261 -2.757 -0.834) 3.144 9.505 ( 0.264 -0.962 -3.866) 3.993 9.913 ( -0.796 7.077 4.124) 8.230 10.045 ( 1.463 0.260 0.328) 1.522 10.135 ( -2.677 1.607 0.897) 3.249 10.161 ( 3.944 3.999 1.797) 5.898 10.442 ( -1.387 -2.154 1.069) 2.776 10.633 ( 1.178 0.223 -5.201) 5.337 10.717 ( -2.185 -9.888 2.931) 10.542 10.859 ( 1.473 -8.182 -2.626) 8.719 14.769 ( -0.868 6.716 0.657) 6.804 14.819 ( 2.900 5.347 -1.310) 6.222 14.844 ( 0.412 3.067 -0.007) 3.094 14.857 ( -2.363 3.207 -0.212) 3.989 15.634 ( 0.417 18.835 0.817) 18.858 15.685 ( -0.281 17.334 -1.203) 17.378 16.049 ( -0.433 10.180 2.052) 10.394 16.155 ( 0.633 6.839 -2.232) 7.222 16.369 ( 0.022 -9.132 1.071) 9.195 16.424 ( 0.070 -8.006 -1.021) 8.071 16.604 ( -0.877 -8.487 3.246) 9.129 16.737 ( 0.543 -10.045 -2.134) 10.283 21.936 ( -0.245 1.130 0.029) 1.157 21.953 ( 0.178 0.810 -0.602) 1.025 22.019 ( 0.253 -3.085 0.642) 3.162 22.037 ( -0.157 -3.402 -0.045) 3.406 23.101 ( 0.244 2.123 0.472) 2.188 23.117 ( -0.389 1.417 -0.195) 1.482 23.352 ( 0.859 -0.048 1.561) 1.783 23.423 ( -0.479 -2.882 -0.972) 3.079 23.518 ( 0.166 7.563 2.767) 8.054 23.674 ( 0.912 1.183 -3.521) 3.825 23.783 ( -2.109 -3.762 1.163) 4.467 23.821 ( 0.872 -6.126 -0.628) 6.220 24.537 ( 0.562 1.219 0.600) 1.470 24.570 ( -0.278 -0.453 -0.541) 0.759 24.636 ( -0.332 -1.751 -0.209) 1.795 24.643 ( -0.088 -2.250 -0.615) 2.334 25.134 ( -0.638 0.450 0.825) 1.136 25.150 ( 1.371 -0.532 0.860) 1.703 25.206 ( -0.303 0.656 0.233) 0.759 25.274 ( -0.362 -2.798 -1.768) 3.330 ======================= Grid point 105 (53/84) ======================= q-point: (-0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 2.009 7.375 3.291) 8.323 1.917 ( 5.318 4.908 -5.237) 8.933 2.134 ( 8.240 -2.314 1.824) 8.751 2.201 ( 7.093 1.374 -1.627) 7.405 2.322 ( 0.283 1.207 2.317) 2.628 2.366 ( 6.310 -2.500 -3.065) 7.447 2.518 ( 8.357 3.693 -1.599) 9.276 2.768 ( 6.940 4.332 2.163) 8.462 3.018 ( -0.685 -4.596 2.534) 5.293 3.123 ( -0.054 3.624 -0.553) 3.666 3.193 ( -3.986 -3.490 -2.676) 5.936 3.250 ( -5.801 11.579 0.738) 12.972 3.487 ( 2.363 8.074 1.852) 8.615 3.508 ( 1.044 0.165 -2.262) 2.497 3.560 ( -9.106 2.680 -1.151) 9.562 3.692 ( -7.205 8.199 4.811) 11.929 3.737 ( 1.031 0.945 -1.030) 1.737 3.995 ( -2.689 -2.578 7.149) 8.061 4.044 ( 3.303 2.226 -0.816) 4.066 4.189 ( 0.687 2.891 2.771) 4.063 4.213 ( 0.674 -3.141 -0.321) 3.228 4.271 ( 0.953 -0.164 -3.822) 3.943 4.479 ( -3.105 2.170 3.379) 5.076 4.603 ( -11.687 -11.296 -3.698) 16.669 4.645 ( -11.345 -5.690 -1.417) 12.771 4.730 ( -0.205 -3.788 -5.013) 6.286 4.863 ( 1.496 -1.513 -1.121) 2.405 4.930 ( -7.745 -0.037 0.208) 7.748 5.036 ( -0.181 0.066 0.034) 0.196 5.137 ( 0.577 -6.899 2.226) 7.272 5.158 ( 0.107 6.814 -0.076) 6.815 5.259 ( 1.664 -1.916 -0.986) 2.723 5.396 ( 7.701 2.056 4.949) 9.382 5.491 ( 4.884 -0.596 2.697) 5.611 5.731 ( -2.710 3.650 -1.116) 4.680 5.768 ( 0.634 2.432 -3.297) 4.146 5.926 ( -0.218 -2.857 -0.560) 2.920 6.054 ( -4.293 -4.623 -3.132) 7.044 6.152 ( 5.085 -5.908 -2.043) 8.058 6.215 ( -3.641 -6.222 -1.672) 7.400 6.266 ( -2.009 2.681 2.148) 3.980 6.371 ( -1.734 -1.062 0.425) 2.077 6.454 ( 3.081 2.901 4.196) 5.959 6.497 ( 7.155 2.471 -0.472) 7.585 6.558 ( -2.250 -2.056 -5.704) 6.467 6.652 ( 7.232 -1.029 0.913) 7.361 6.682 ( 0.225 2.129 -2.655) 3.411 6.795 ( 2.771 -1.507 -1.861) 3.662 7.004 ( 0.258 2.478 -0.888) 2.644 7.052 ( 3.239 1.462 1.265) 3.772 7.184 ( -3.465 2.811 2.798) 5.267 7.298 ( 0.255 -0.554 0.820) 1.022 7.443 ( 4.570 1.852 2.259) 5.424 7.669 ( 4.964 -0.207 -1.426) 5.169 7.689 ( 1.865 -7.842 -2.392) 8.409 7.714 ( 11.006 -2.393 7.170) 13.352 8.370 ( -1.805 2.847 0.787) 3.461 8.459 ( -3.928 4.223 -0.302) 5.775 8.516 ( 0.842 -5.588 -1.625) 5.881 8.653 ( -0.640 -2.806 2.062) 3.541 8.798 ( 1.452 2.039 -1.955) 3.177 8.853 ( 0.574 -1.968 2.102) 2.936 8.985 ( 4.066 0.735 -2.059) 4.616 9.053 ( 3.166 -1.458 -1.749) 3.900 9.088 ( -6.376 5.085 0.640) 8.180 9.264 ( -3.549 -1.120 0.620) 3.773 9.404 ( 3.358 3.792 0.307) 5.074 9.538 ( 3.278 -0.231 -1.590) 3.650 9.878 ( -4.091 6.789 3.480) 8.656 10.016 ( -5.784 0.920 -1.714) 6.102 10.100 ( -0.734 1.296 2.857) 3.222 10.215 ( 0.368 -0.998 -0.833) 1.351 10.407 ( -2.286 2.149 2.448) 3.980 10.583 ( -4.288 1.045 -3.982) 5.944 10.667 ( -2.804 -7.984 0.351) 8.470 10.858 ( -0.408 -9.233 -1.452) 9.355 14.732 ( -2.095 8.378 0.391) 8.645 14.795 ( -2.132 6.573 -1.089) 6.995 14.880 ( 3.365 1.826 -0.402) 3.850 14.914 ( 4.166 -0.230 0.243) 4.179 15.619 ( -2.267 19.601 0.854) 19.751 15.668 ( -0.649 16.718 -1.350) 16.785 16.070 ( 1.605 8.947 1.662) 9.240 16.169 ( 1.811 7.482 -1.829) 7.912 16.353 ( -1.991 -7.908 1.058) 8.223 16.396 ( -2.269 -8.159 -0.955) 8.523 16.616 ( 0.403 -8.255 3.108) 8.830 16.750 ( 1.573 -9.982 -2.054) 10.312 21.932 ( 0.064 1.508 0.101) 1.513 21.952 ( 0.095 0.722 -0.502) 0.885 22.024 ( -0.203 -2.971 0.349) 2.998 22.037 ( 0.049 -3.331 0.036) 3.332 23.084 ( -1.705 2.832 -0.175) 3.310 23.112 ( -0.249 1.510 0.372) 1.575 23.382 ( 0.983 -0.933 1.352) 1.915 23.405 ( -0.508 -1.953 -1.017) 2.259 23.533 ( 0.072 7.819 2.649) 8.256 23.670 ( 0.445 0.474 -4.350) 4.398 23.752 ( -1.242 -3.466 2.078) 4.228 23.852 ( 1.827 -6.481 -0.385) 6.744 24.555 ( 0.681 1.040 0.549) 1.359 24.565 ( 0.260 0.028 -0.879) 0.917 24.622 ( -0.459 -1.509 0.081) 1.579 24.650 ( 0.537 -2.225 -0.302) 2.309 25.125 ( -0.665 0.816 1.088) 1.514 25.165 ( -0.268 -0.371 -0.830) 0.948 25.193 ( -1.126 0.151 0.905) 1.453 25.264 ( 0.226 -3.241 -1.114) 3.434 ======================= Grid point 106 (54/84) ======================= q-point: (-0.17 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 13.628 17.574 4.728) 22.736 2.052 ( -2.496 19.178 1.966) 19.439 2.072 ( 5.142 12.910 -4.636) 14.649 2.285 ( 5.236 11.306 -3.933) 13.066 2.494 ( 4.155 -2.946 -0.605) 5.129 2.539 ( 9.421 -6.335 0.933) 11.391 2.726 ( 6.878 -4.396 0.263) 8.167 2.887 ( -2.291 1.231 5.262) 5.869 3.008 ( 3.475 -12.689 2.034) 13.313 3.074 ( -8.877 6.684 -2.122) 11.312 3.131 ( 2.327 2.856 -3.548) 5.115 3.164 ( 6.358 -3.485 0.418) 7.262 3.354 ( -6.746 4.294 0.705) 8.028 3.429 ( -5.399 -0.676 -4.719) 7.202 3.568 ( -0.843 -2.087 4.351) 4.899 3.658 ( 1.178 2.972 -2.276) 3.924 3.733 ( -1.412 1.166 -0.685) 1.955 3.957 ( -11.218 -3.977 -7.099) 13.858 3.993 ( -0.299 1.541 6.870) 7.047 4.154 ( -4.147 3.840 2.684) 6.256 4.251 ( -0.484 0.345 4.933) 4.969 4.286 ( 2.732 -1.751 -3.628) 4.867 4.417 ( -2.650 -6.747 0.067) 7.249 4.466 ( -1.923 1.554 5.196) 5.754 4.488 ( 0.923 6.686 1.017) 6.825 4.695 ( -7.914 -2.804 -2.356) 8.721 4.795 ( -0.390 -5.107 -3.482) 6.194 4.820 ( -5.004 -2.682 1.036) 5.771 5.020 ( -2.052 -4.010 2.505) 5.155 5.087 ( -4.047 -3.477 -0.833) 5.400 5.217 ( 5.331 1.993 1.067) 5.790 5.321 ( 2.235 -0.314 -0.070) 2.258 5.565 ( 2.969 2.080 0.865) 3.726 5.604 ( 5.583 -1.299 -0.247) 5.737 5.648 ( 0.808 2.200 -5.748) 6.208 5.768 ( 0.556 5.583 -4.340) 7.093 5.906 ( 0.302 -9.081 2.676) 9.472 5.969 ( -2.157 -2.380 -3.707) 4.905 6.106 ( -4.090 -7.467 -2.540) 8.885 6.185 ( -2.992 -1.372 -1.793) 3.749 6.234 ( -0.800 -4.403 2.967) 5.369 6.377 ( -1.448 -0.088 0.836) 1.674 6.472 ( -1.225 3.038 1.152) 3.473 6.556 ( 3.465 -0.942 -3.486) 5.005 6.655 ( 7.972 3.704 2.695) 9.194 6.697 ( 1.137 1.268 0.612) 1.810 6.790 ( 1.378 -0.221 0.343) 1.437 6.840 ( 3.970 -2.998 0.360) 4.987 6.999 ( 1.991 5.075 -2.297) 5.916 7.071 ( -3.012 4.664 2.669) 6.161 7.167 ( -0.434 -1.581 1.085) 1.966 7.287 ( -1.506 -1.820 0.584) 2.434 7.598 ( 9.256 2.180 3.274) 10.057 7.727 ( 4.838 -1.015 -1.513) 5.170 7.817 ( 8.694 -0.503 -0.328) 8.715 7.993 ( 12.625 -4.264 2.507) 13.560 8.285 ( -8.042 4.113 -3.296) 9.615 8.323 ( -6.546 2.691 3.077) 7.718 8.559 ( 2.589 -0.828 -3.845) 4.709 8.635 ( -3.080 1.177 0.522) 3.338 8.809 ( 0.251 1.630 0.696) 1.790 8.865 ( 2.101 -1.294 -2.047) 3.206 8.966 ( -3.443 -2.549 -4.570) 6.264 8.995 ( -3.844 -0.681 -0.239) 3.911 9.177 ( 7.445 -2.072 4.608) 8.998 9.260 ( 3.939 -4.748 2.458) 6.641 9.513 ( 5.615 3.817 2.753) 7.326 9.600 ( 2.579 -0.042 0.745) 2.685 9.792 ( -6.122 5.194 1.865) 8.242 9.848 ( -7.764 1.076 -2.306) 8.171 10.086 ( -2.140 0.865 0.532) 2.369 10.156 ( -5.169 -2.442 -1.933) 6.035 10.371 ( -3.301 5.220 2.114) 6.528 10.470 ( -3.087 6.228 -3.187) 7.647 10.637 ( -0.184 -7.654 0.526) 7.674 10.835 ( -1.176 -9.220 -1.376) 9.396 14.700 ( -1.260 9.771 0.562) 9.868 14.760 ( -0.818 8.411 -1.518) 8.585 14.943 ( 2.829 -2.019 0.144) 3.478 14.990 ( 3.020 -4.081 -0.060) 5.077 15.570 ( -2.519 21.149 1.001) 21.322 15.647 ( -0.671 16.550 -1.771) 16.658 16.123 ( 2.940 7.708 1.120) 8.326 16.210 ( 3.020 6.472 -1.143) 7.232 16.305 ( -3.256 -6.292 1.045) 7.161 16.332 ( -3.498 -6.206 -1.031) 7.198 16.639 ( 0.312 -8.178 3.080) 8.744 16.772 ( 1.400 -9.915 -2.001) 10.212 21.945 ( 1.119 1.172 0.369) 1.662 21.957 ( 0.758 0.452 -0.409) 0.973 22.012 ( -1.055 -2.099 -0.158) 2.355 22.030 ( -0.837 -2.481 0.097) 2.620 23.052 ( -1.224 4.269 0.224) 4.447 23.104 ( -0.535 1.542 -0.118) 1.636 23.377 ( -0.444 -0.872 -1.047) 1.433 23.414 ( 0.222 -2.261 0.542) 2.335 23.544 ( -0.134 8.042 1.860) 8.255 23.645 ( -0.372 1.648 -4.578) 4.879 23.767 ( 0.970 -4.179 3.725) 5.681 23.878 ( 0.958 -6.994 -0.461) 7.075 24.558 ( 0.312 1.671 -0.614) 1.807 24.583 ( 0.864 -0.200 0.385) 0.967 24.618 ( -0.172 -1.226 0.387) 1.297 24.658 ( 0.408 -2.393 -0.224) 2.438 25.120 ( -0.253 0.495 0.429) 0.703 25.140 ( -1.257 0.750 -1.411) 2.034 25.177 ( -0.656 -0.104 1.215) 1.384 25.267 ( 0.081 -4.733 -0.296) 4.743 ======================= Grid point 107 (55/84) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -1.971 -10.340 -0.182) 10.527 2.343 ( -1.971 10.340 -0.182) 10.527 2.432 ( 1.546 -5.201 1.947) 5.765 2.432 ( 1.546 5.201 1.947) 5.765 2.566 ( 1.192 -10.900 1.200) 11.030 2.566 ( 1.192 10.900 1.200) 11.030 2.786 ( -1.660 -5.537 -2.689) 6.376 2.786 ( -1.660 5.537 -2.689) 6.376 2.968 ( 2.354 -5.073 0.104) 5.594 2.968 ( 2.354 5.073 0.104) 5.594 3.181 ( 2.157 -0.586 0.036) 2.236 3.181 ( 2.157 0.586 0.036) 2.236 3.283 ( -3.286 -8.767 -3.625) 10.040 3.283 ( -3.286 8.767 -3.625) 10.040 3.416 ( -0.325 -2.425 -1.545) 2.894 3.416 ( -0.325 2.425 -1.545) 2.894 3.765 ( -1.550 -3.433 4.319) 5.731 3.765 ( -1.550 3.433 4.319) 5.731 4.153 ( 0.027 -3.171 -1.231) 3.402 4.153 ( 0.027 3.171 -1.231) 3.402 4.310 ( 3.324 -4.265 1.929) 5.741 4.310 ( 3.324 4.265 1.929) 5.741 4.434 ( -0.140 -8.518 0.015) 8.519 4.434 ( -0.140 8.518 0.015) 8.519 4.635 ( -2.850 -6.230 1.911) 7.112 4.635 ( -2.850 6.230 1.911) 7.112 4.726 ( 0.709 -4.573 1.238) 4.791 4.726 ( 0.709 4.573 1.238) 4.791 4.956 ( 0.960 -4.881 3.432) 6.044 4.956 ( 0.960 4.881 3.432) 6.044 5.320 ( 0.107 -2.371 0.939) 2.552 5.320 ( 0.107 2.371 0.939) 2.552 5.582 ( -4.957 -1.600 -6.668) 8.461 5.582 ( -4.957 1.600 -6.668) 8.461 5.753 ( 3.045 -4.906 -0.041) 5.774 5.753 ( 3.045 4.906 -0.041) 5.774 5.923 ( 0.621 -4.441 -4.086) 6.066 5.923 ( 0.621 4.441 -4.086) 6.066 5.973 ( 2.776 -8.402 -3.860) 9.654 5.973 ( 2.776 8.402 -3.860) 9.654 6.280 ( -2.588 -4.072 5.109) 7.027 6.280 ( -2.588 4.072 5.109) 7.027 6.573 ( 1.029 -5.680 -2.682) 6.365 6.573 ( 1.029 5.680 -2.682) 6.365 6.688 ( -1.343 -1.396 -0.306) 1.962 6.688 ( -1.343 1.396 -0.306) 1.962 6.874 ( 2.455 -2.748 1.598) 4.016 6.874 ( 2.455 2.748 1.598) 4.016 7.090 ( -1.071 -4.394 2.375) 5.108 7.090 ( -1.071 4.394 2.375) 5.108 7.173 ( -0.395 -4.856 -0.397) 4.888 7.173 ( -0.395 4.856 -0.397) 4.888 7.799 ( 0.371 -1.887 4.743) 5.118 7.799 ( 0.371 1.887 4.743) 5.118 8.084 ( -3.153 -1.165 -2.180) 4.006 8.084 ( -3.153 1.165 -2.180) 4.006 8.175 ( 2.624 -1.775 1.066) 3.343 8.175 ( 2.624 1.775 1.066) 3.343 8.583 ( 1.401 -0.368 -3.636) 3.914 8.583 ( 1.401 0.368 -3.636) 3.914 8.824 ( -1.466 -1.811 -1.034) 2.549 8.824 ( -1.466 1.811 -1.034) 2.549 8.903 ( -0.917 -2.722 -2.002) 3.501 8.903 ( -0.917 2.722 -2.002) 3.501 9.286 ( 1.243 -3.119 3.450) 4.814 9.286 ( 1.243 3.119 3.450) 4.814 9.612 ( -1.666 -2.335 5.357) 6.076 9.612 ( -1.666 2.335 5.357) 6.076 9.791 ( 2.090 -1.931 -1.579) 3.254 9.791 ( 2.090 1.931 -1.579) 3.254 10.039 ( -1.407 -1.824 -2.833) 3.652 10.039 ( -1.407 1.824 -2.833) 3.652 10.492 ( 0.732 -8.037 2.168) 8.356 10.492 ( 0.732 8.037 2.168) 8.356 10.620 ( -0.029 -8.959 -2.434) 9.283 10.620 ( -0.029 8.959 -2.434) 9.283 14.854 ( -0.092 -5.411 0.056) 5.412 14.854 ( -0.092 5.411 0.056) 5.412 14.909 ( 0.227 -4.777 -0.441) 4.803 14.909 ( 0.227 4.777 -0.441) 4.803 15.949 ( -0.070 -14.339 -0.014) 14.339 15.949 ( -0.070 14.339 -0.014) 14.339 15.971 ( 0.070 -11.691 -0.246) 11.694 15.971 ( 0.070 11.691 -0.246) 11.694 16.442 ( -0.466 -11.550 1.960) 11.724 16.442 ( -0.466 11.550 1.960) 11.724 16.546 ( 0.357 -12.788 -1.557) 12.888 16.546 ( 0.357 12.788 -1.557) 12.888 21.966 ( -0.014 -0.336 0.103) 0.351 21.966 ( -0.014 0.336 0.103) 0.351 21.994 ( 0.015 -0.376 -0.148) 0.404 21.994 ( 0.015 0.376 -0.148) 0.404 23.104 ( 0.029 -1.132 0.090) 1.136 23.104 ( 0.029 1.132 0.090) 1.136 23.369 ( -0.279 -0.642 -0.599) 0.922 23.369 ( -0.279 0.642 -0.599) 0.922 23.672 ( -0.329 -1.512 -0.481) 1.620 23.672 ( -0.329 1.512 -0.481) 1.620 23.752 ( 0.526 -3.050 1.273) 3.346 23.752 ( 0.526 3.050 1.273) 3.346 24.587 ( -0.090 -0.327 -0.180) 0.384 24.587 ( -0.090 0.327 -0.180) 0.384 24.619 ( 0.135 -1.638 0.070) 1.645 24.619 ( 0.135 1.638 0.070) 1.645 25.124 ( -0.221 -0.808 0.004) 0.838 25.124 ( -0.221 0.808 0.004) 0.838 25.195 ( 0.214 -1.898 -0.113) 1.914 25.195 ( 0.214 1.898 -0.113) 1.914 ======================= Grid point 109 (56/84) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -13.273 -11.724 0.532) 17.717 2.180 ( -13.273 11.724 0.532) 17.717 2.391 ( -13.011 -7.173 -1.271) 14.911 2.391 ( -13.011 7.173 -1.271) 14.911 2.499 ( -0.977 -8.903 3.026) 9.454 2.499 ( -0.977 8.903 3.026) 9.454 2.638 ( -5.767 -9.116 -2.196) 11.009 2.638 ( -5.767 9.116 -2.196) 11.009 3.009 ( 2.842 -5.811 0.588) 6.495 3.009 ( 2.842 5.811 0.588) 6.495 3.214 ( 4.108 -5.708 -3.476) 7.845 3.214 ( 4.108 5.708 -3.476) 7.845 3.372 ( 6.427 -4.756 -2.985) 8.534 3.372 ( 6.427 4.756 -2.985) 8.534 3.549 ( 7.101 -2.733 2.772) 8.098 3.549 ( 7.101 2.733 2.772) 8.098 3.797 ( 3.757 -2.684 3.171) 5.601 3.797 ( 3.757 2.684 3.171) 5.601 4.143 ( -0.460 -6.378 -0.638) 6.427 4.143 ( -0.460 6.378 -0.638) 6.427 4.318 ( 0.636 -4.939 -1.070) 5.093 4.318 ( 0.636 4.939 -1.070) 5.093 4.465 ( 0.637 -3.568 3.581) 5.095 4.465 ( 0.637 3.568 3.581) 5.095 4.590 ( -0.369 -5.902 0.737) 5.959 4.590 ( -0.369 5.902 0.737) 5.959 4.828 ( 7.741 -6.496 1.680) 10.245 4.828 ( 7.741 6.496 1.680) 10.245 5.025 ( 3.861 -9.855 2.536) 10.884 5.025 ( 3.861 9.855 2.536) 10.884 5.295 ( -3.734 -0.250 -0.693) 3.806 5.295 ( -3.734 0.250 -0.693) 3.806 5.404 ( -8.019 -3.490 -3.312) 9.352 5.404 ( -8.019 3.490 -3.312) 9.352 5.801 ( 0.439 -2.896 -0.966) 3.084 5.801 ( 0.439 2.896 -0.966) 3.084 5.939 ( 2.669 -4.156 -5.295) 7.241 5.939 ( 2.669 4.156 -5.295) 7.241 6.013 ( 3.189 -8.156 -4.317) 9.764 6.013 ( 3.189 8.156 -4.317) 9.764 6.283 ( 0.385 -3.349 5.423) 6.385 6.283 ( 0.385 3.349 5.423) 6.385 6.527 ( -3.663 -4.192 0.042) 5.567 6.527 ( -3.663 4.192 0.042) 5.567 6.680 ( 0.079 -3.978 -2.498) 4.698 6.680 ( 0.079 3.978 -2.498) 4.698 6.928 ( 2.569 -3.277 1.436) 4.404 6.928 ( 2.569 3.277 1.436) 4.404 7.071 ( -2.001 -5.419 1.571) 5.987 7.071 ( -2.001 5.419 1.571) 5.987 7.177 ( 0.135 -4.068 0.604) 4.114 7.177 ( 0.135 4.068 0.604) 4.114 7.671 ( -11.413 -4.244 1.559) 12.275 7.671 ( -11.413 4.244 1.559) 12.275 7.859 ( -12.759 -6.326 1.076) 14.282 7.859 ( -12.759 6.326 1.076) 14.282 8.345 ( 8.998 -4.623 -1.027) 10.168 8.345 ( 8.998 4.623 -1.027) 10.168 8.677 ( 3.139 -4.788 1.879) 6.025 8.677 ( 3.139 4.788 1.879) 6.025 8.735 ( -4.393 -4.933 -2.946) 7.233 8.735 ( -4.393 4.933 -2.946) 7.233 8.901 ( 1.953 -1.925 -2.082) 3.443 8.901 ( 1.953 1.925 -2.082) 3.443 9.288 ( -0.186 -3.610 1.992) 4.128 9.288 ( -0.186 3.610 1.992) 4.128 9.562 ( -4.746 -4.439 2.375) 6.918 9.562 ( -4.746 4.439 2.375) 6.918 9.868 ( 4.729 -3.354 -0.722) 5.842 9.868 ( 4.729 3.354 -0.722) 5.842 10.081 ( 5.368 -6.302 -0.294) 8.284 10.081 ( 5.368 6.302 -0.294) 8.284 10.501 ( -0.841 -7.761 1.351) 7.922 10.501 ( -0.841 7.761 1.351) 7.922 10.640 ( 3.102 -5.612 -2.269) 6.802 10.640 ( 3.102 5.612 -2.269) 6.802 14.851 ( -0.194 -4.894 0.072) 4.898 14.851 ( -0.194 4.894 0.072) 4.898 14.904 ( -0.419 -4.515 -0.451) 4.556 14.904 ( -0.419 4.515 -0.451) 4.556 15.959 ( 1.001 -17.568 -0.001) 17.597 15.959 ( 1.001 17.568 -0.001) 17.597 15.983 ( 1.145 -15.089 -0.233) 15.134 15.983 ( 1.145 15.089 -0.233) 15.134 16.431 ( -1.525 -11.921 1.876) 12.163 16.431 ( -1.525 11.921 1.876) 12.163 16.539 ( -0.308 -12.359 -1.476) 12.450 16.539 ( -0.308 12.359 -1.476) 12.450 21.965 ( -0.052 -1.311 0.084) 1.315 21.965 ( -0.052 1.311 0.084) 1.315 21.991 ( -0.230 -1.321 -0.123) 1.346 21.991 ( -0.230 1.321 -0.123) 1.346 23.111 ( 0.574 -0.507 0.096) 0.772 23.111 ( 0.574 0.507 0.096) 0.772 23.363 ( -0.072 -1.024 -0.275) 1.062 23.363 ( -0.072 1.024 -0.275) 1.062 23.662 ( -0.383 -3.525 -0.162) 3.549 23.662 ( -0.383 3.525 -0.162) 3.549 23.760 ( -0.283 -1.312 0.614) 1.476 23.760 ( -0.283 1.312 0.614) 1.476 24.576 ( -0.776 -1.110 -0.163) 1.365 24.576 ( -0.776 1.110 -0.163) 1.365 24.622 ( 0.102 -1.518 0.039) 1.522 24.622 ( 0.102 1.518 0.039) 1.522 25.125 ( 0.194 -1.186 0.127) 1.209 25.125 ( 0.194 1.186 0.127) 1.209 25.208 ( 1.043 -1.788 -0.211) 2.081 25.208 ( 1.043 1.788 -0.211) 2.081 ======================= Grid point 111 (57/84) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -12.092 -11.879 1.127) 16.988 1.910 ( -12.092 11.879 1.127) 16.988 2.077 ( -13.405 -6.767 -1.965) 15.144 2.077 ( -13.405 6.767 -1.965) 15.144 2.478 ( -3.196 -10.102 4.029) 11.335 2.478 ( -3.196 10.102 4.029) 11.335 2.625 ( 3.832 -4.117 -6.099) 8.296 2.625 ( 3.832 4.117 -6.099) 8.296 3.073 ( 2.073 -6.187 0.512) 6.545 3.073 ( 2.073 6.187 0.512) 6.545 3.255 ( 2.710 -5.884 -2.851) 7.078 3.255 ( 2.710 5.884 -2.851) 7.078 3.470 ( 2.867 -2.989 1.426) 4.380 3.470 ( 2.867 2.989 1.426) 4.380 3.621 ( 0.944 -4.513 2.726) 5.356 3.621 ( 0.944 4.513 2.726) 5.356 3.863 ( -0.329 -6.566 4.110) 7.754 3.863 ( -0.329 6.566 4.110) 7.754 4.187 ( 5.214 -10.058 -0.741) 11.353 4.187 ( 5.214 10.058 -0.741) 11.353 4.366 ( -2.205 -7.966 -1.220) 8.355 4.366 ( -2.205 7.966 -1.220) 8.355 4.449 ( 3.811 -9.272 3.045) 10.477 4.449 ( 3.811 9.272 3.045) 10.477 4.642 ( 2.282 -7.531 -1.987) 8.116 4.642 ( 2.282 7.531 -1.987) 8.116 4.970 ( 5.371 -5.178 -3.760) 8.354 4.970 ( 5.371 5.178 -3.760) 8.354 5.149 ( 0.422 -3.228 0.189) 3.261 5.149 ( 0.422 3.228 0.189) 3.261 5.166 ( 1.595 -8.514 1.910) 8.870 5.166 ( 1.595 8.514 1.910) 8.870 5.316 ( -2.002 -4.090 2.887) 5.392 5.316 ( -2.002 4.090 2.887) 5.392 5.754 ( -3.805 -5.383 -0.855) 6.648 5.754 ( -3.805 5.383 -0.855) 6.648 5.899 ( -3.484 -5.952 -1.076) 6.980 5.899 ( -3.484 5.952 -1.076) 6.980 6.113 ( 7.908 -2.827 -6.098) 10.378 6.113 ( 7.908 2.827 -6.098) 10.378 6.332 ( 1.483 -4.068 4.022) 5.910 6.332 ( 1.483 4.068 4.022) 5.910 6.471 ( -1.666 -1.999 0.214) 2.611 6.471 ( -1.666 1.999 0.214) 2.611 6.629 ( -4.325 -2.848 -3.117) 6.044 6.629 ( -4.325 2.848 -3.117) 6.044 6.928 ( -3.928 -1.908 -5.305) 6.871 6.928 ( -3.928 1.908 -5.305) 6.871 7.041 ( -0.949 -5.892 1.653) 6.193 7.041 ( -0.949 5.892 1.653) 6.193 7.186 ( 0.516 -0.194 4.977) 5.008 7.186 ( 0.516 0.194 4.977) 5.008 7.492 ( -4.547 -4.898 -0.024) 6.683 7.492 ( -4.547 4.898 -0.024) 6.683 7.672 ( -6.891 -6.835 3.005) 10.160 7.672 ( -6.891 6.835 3.005) 10.160 8.477 ( 2.850 -4.174 0.490) 5.078 8.477 ( 2.850 4.174 0.490) 5.078 8.544 ( -6.541 -4.391 0.348) 7.886 8.544 ( -6.541 4.391 0.348) 7.886 8.771 ( 1.451 -4.032 0.188) 4.289 8.771 ( 1.451 4.032 0.188) 4.289 8.951 ( 3.318 -0.924 -2.240) 4.109 8.951 ( 3.318 0.924 -2.240) 4.109 9.323 ( 2.403 -4.461 -0.173) 5.070 9.323 ( 2.403 4.461 -0.173) 5.070 9.477 ( -3.803 -5.196 0.007) 6.439 9.477 ( -3.803 5.196 0.007) 6.439 9.957 ( 3.924 -3.399 0.896) 5.268 9.957 ( 3.924 3.399 0.896) 5.268 10.169 ( 2.405 -4.039 0.340) 4.713 10.169 ( 2.405 4.039 0.340) 4.713 10.496 ( -0.078 -7.636 2.086) 7.916 10.496 ( -0.078 7.636 2.086) 7.916 10.694 ( 2.855 -5.109 -2.966) 6.561 10.694 ( 2.855 5.109 -2.966) 6.561 14.849 ( -0.089 -3.093 0.200) 3.100 14.849 ( -0.089 3.093 0.200) 3.100 14.891 ( -0.557 -3.314 -0.567) 3.408 14.891 ( -0.557 3.314 -0.567) 3.408 15.983 ( 1.124 -13.407 0.037) 13.454 15.983 ( 1.124 13.407 0.037) 13.454 16.008 ( 1.240 -10.452 -0.209) 10.527 16.008 ( 1.240 10.452 -0.209) 10.527 16.406 ( -1.618 -10.963 1.682) 11.209 16.406 ( -1.618 10.963 1.682) 11.209 16.524 ( -0.381 -11.198 -1.305) 11.281 16.524 ( -0.381 11.198 -1.305) 11.281 21.964 ( -0.048 -1.738 0.007) 1.739 21.964 ( -0.048 1.738 0.007) 1.739 21.986 ( -0.179 -1.988 -0.022) 1.996 21.986 ( -0.179 1.988 -0.022) 1.996 23.123 ( 0.517 -0.635 0.128) 0.829 23.123 ( 0.517 0.635 0.128) 0.829 23.363 ( 0.106 -2.215 0.257) 2.233 23.363 ( 0.106 2.215 0.257) 2.233 23.661 ( 0.349 -5.413 0.054) 5.424 23.661 ( 0.349 5.413 0.054) 5.424 23.746 ( -1.187 -1.141 -0.184) 1.657 23.746 ( -1.187 1.141 -0.184) 1.657 24.562 ( -0.447 -1.209 0.004) 1.289 24.562 ( -0.447 1.209 0.004) 1.289 24.621 ( -0.133 -0.831 -0.187) 0.862 24.621 ( -0.133 0.831 -0.187) 0.862 25.132 ( 0.336 -0.709 0.596) 0.985 25.132 ( 0.336 0.709 0.596) 0.985 25.227 ( 0.810 -1.952 -0.606) 2.199 25.227 ( 0.810 1.952 -0.606) 2.199 ======================= Grid point 113 (58/84) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 0.277 -5.326 1.365) 5.505 1.787 ( 0.277 5.326 1.365) 5.505 1.929 ( 0.294 -2.147 -1.912) 2.890 1.929 ( 0.294 2.147 -1.912) 2.890 2.430 ( -2.807 -5.798 2.378) 6.867 2.430 ( -2.807 5.798 2.378) 6.867 2.668 ( 3.131 -8.507 -7.214) 11.585 2.668 ( 3.131 8.507 -7.214) 11.585 3.071 ( -1.777 -5.707 0.153) 5.979 3.071 ( -1.777 5.707 0.153) 5.979 3.294 ( -0.400 -6.201 0.419) 6.228 3.294 ( -0.400 6.201 0.419) 6.228 3.531 ( 3.938 -6.612 3.594) 8.494 3.531 ( 3.938 6.612 3.594) 8.494 3.651 ( 1.368 -4.079 -0.322) 4.315 3.651 ( 1.368 4.079 -0.322) 4.315 3.854 ( -2.834 -8.436 7.643) 11.730 3.854 ( -2.834 8.436 7.643) 11.730 4.247 ( -0.924 -3.177 -3.098) 4.533 4.247 ( -0.924 3.177 -3.098) 4.533 4.317 ( -0.165 -7.400 1.076) 7.480 4.317 ( -0.165 7.400 1.076) 7.480 4.462 ( -3.974 -6.813 -2.672) 8.328 4.462 ( -3.974 6.813 -2.672) 8.328 4.697 ( 4.220 -7.510 0.363) 8.622 4.697 ( 4.220 7.510 0.363) 8.622 5.022 ( -4.860 -4.816 -5.203) 8.595 5.022 ( -4.860 4.816 -5.203) 8.595 5.058 ( 0.523 -2.339 0.469) 2.442 5.058 ( 0.523 2.339 0.469) 2.442 5.187 ( -0.807 -5.164 -4.051) 6.613 5.187 ( -0.807 5.164 -4.051) 6.613 5.401 ( 2.251 -5.191 8.667) 10.350 5.401 ( 2.251 5.191 8.667) 10.350 5.754 ( 5.502 -3.663 3.016) 7.266 5.754 ( 5.502 3.664 3.016) 7.266 5.862 ( 0.341 -7.701 1.666) 7.887 5.862 ( 0.341 7.701 1.666) 7.887 6.186 ( -0.554 -0.857 -6.345) 6.427 6.186 ( -0.554 0.857 -6.345) 6.427 6.352 ( 0.329 -2.993 -0.131) 3.014 6.352 ( 0.329 2.993 -0.131) 3.014 6.458 ( 0.453 -2.001 -0.384) 2.087 6.458 ( 0.453 2.001 -0.384) 2.087 6.542 ( -0.646 -0.997 -2.488) 2.757 6.542 ( -0.646 0.997 -2.488) 2.757 6.784 ( -4.365 -1.468 -6.653) 8.092 6.784 ( -4.365 1.468 -6.653) 8.092 7.043 ( -0.165 -5.365 1.671) 5.622 7.043 ( -0.165 5.365 1.671) 5.622 7.232 ( 1.141 -2.639 3.506) 4.534 7.232 ( 1.141 2.639 3.506) 4.534 7.512 ( 4.782 -4.762 2.448) 7.178 7.512 ( 4.782 4.762 2.448) 7.178 7.579 ( -4.234 -7.331 2.627) 8.864 7.579 ( -4.234 7.331 2.627) 8.864 8.422 ( -2.377 -3.932 2.231) 5.108 8.422 ( -2.377 3.932 2.231) 5.108 8.553 ( 1.741 -4.669 -1.596) 5.233 8.553 ( 1.741 4.669 -1.596) 5.233 8.791 ( 0.929 -1.169 1.025) 1.811 8.791 ( 0.929 1.169 1.025) 1.811 8.993 ( 1.825 -1.129 -1.820) 2.814 8.993 ( 1.825 1.129 -1.820) 2.814 9.323 ( -3.923 -4.123 0.375) 5.704 9.323 ( -3.923 4.123 0.375) 5.704 9.438 ( 1.454 -4.811 -2.541) 5.632 9.438 ( 1.454 4.811 -2.541) 5.632 10.018 ( 1.007 -3.108 2.547) 4.143 10.018 ( 1.007 3.108 2.547) 4.143 10.178 ( -0.929 -2.106 -0.808) 2.439 10.178 ( -0.929 2.106 -0.808) 2.439 10.511 ( -0.099 -8.347 3.478) 9.043 10.511 ( -0.099 8.347 3.478) 9.043 10.711 ( 0.408 -5.887 -3.875) 7.060 10.711 ( 0.408 5.887 -3.875) 7.060 14.850 ( 0.080 -1.697 0.415) 1.749 14.850 ( 0.080 1.697 0.415) 1.749 14.881 ( -0.036 -0.796 -0.777) 1.113 14.881 ( -0.036 0.796 -0.777) 1.113 15.997 ( 0.143 -12.397 0.059) 12.398 15.997 ( 0.143 12.397 0.059) 12.398 16.020 ( -0.051 -11.672 -0.195) 11.674 16.020 ( -0.051 11.672 -0.195) 11.674 16.392 ( -0.387 -9.097 1.561) 9.238 16.392 ( -0.387 9.097 1.561) 9.238 16.517 ( 0.308 -10.209 -1.205) 10.284 16.517 ( 0.308 10.209 -1.205) 10.284 21.964 ( -0.011 -1.349 -0.043) 1.350 21.964 ( -0.011 1.350 -0.043) 1.350 21.985 ( 0.029 -1.378 0.046) 1.379 21.985 ( 0.029 1.378 0.046) 1.379 23.129 ( -0.066 -0.448 0.162) 0.481 23.129 ( -0.066 0.448 0.162) 0.481 23.368 ( 0.210 -1.902 0.464) 1.969 23.368 ( 0.210 1.902 0.464) 1.969 23.675 ( 0.664 -7.158 0.539) 7.209 23.675 ( 0.664 7.158 0.539) 7.209 23.719 ( -0.877 -2.598 -0.917) 2.892 23.719 ( -0.877 2.598 -0.917) 2.892 24.560 ( 0.196 -0.881 0.174) 0.920 24.560 ( 0.196 0.881 0.174) 0.920 24.616 ( -0.189 -0.214 -0.402) 0.493 24.616 ( -0.189 0.214 -0.402) 0.493 25.141 ( 0.172 -0.339 1.019) 1.088 25.141 ( 0.172 0.339 1.019) 1.088 25.230 ( -0.129 -1.637 -0.985) 1.915 25.230 ( -0.129 1.637 -0.985) 1.915 ======================= Grid point 115 (59/84) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 13.232 -10.613 1.862) 17.064 1.938 ( 13.232 10.613 1.862) 17.064 2.062 ( 12.891 -9.146 -3.161) 16.119 2.062 ( 12.891 9.146 -3.161) 16.119 2.402 ( -0.939 -3.024 3.006) 4.366 2.402 ( -0.939 3.024 3.006) 4.366 2.687 ( 2.144 -10.729 -5.084) 12.065 2.687 ( 2.144 10.729 -5.084) 12.065 3.013 ( -4.309 -5.983 0.673) 7.404 3.013 ( -4.309 5.983 0.673) 7.404 3.250 ( -2.660 -5.142 -1.541) 5.991 3.250 ( -2.660 5.142 -1.541) 5.991 3.567 ( -3.497 -0.539 0.717) 3.610 3.567 ( -3.497 0.539 0.717) 3.610 3.694 ( 2.565 -7.127 0.961) 7.635 3.694 ( 2.565 7.127 0.961) 7.635 3.871 ( -0.506 -4.591 7.170) 8.529 3.871 ( -0.506 4.591 7.170) 8.529 4.119 ( -8.578 -4.424 -1.236) 9.731 4.119 ( -8.578 4.424 -1.236) 9.731 4.276 ( 2.100 -4.139 -1.074) 4.763 4.276 ( 2.100 4.139 -1.074) 4.763 4.481 ( -3.188 -3.356 0.683) 4.679 4.481 ( -3.188 3.356 0.683) 4.679 4.623 ( -5.605 -6.405 -1.358) 8.618 4.623 ( -5.605 6.405 -1.358) 8.618 4.915 ( -3.427 -4.665 -0.563) 5.816 4.915 ( -3.427 4.665 -0.563) 5.816 5.026 ( -2.832 -3.143 -0.402) 4.250 5.026 ( -2.832 3.143 -0.402) 4.250 5.235 ( 3.988 -1.894 -1.572) 4.686 5.235 ( 3.988 1.894 -1.572) 4.686 5.469 ( 4.033 -3.490 5.281) 7.506 5.469 ( 4.033 3.490 5.281) 7.506 5.804 ( -2.289 -1.429 0.586) 2.762 5.804 ( -2.289 1.429 0.586) 2.762 5.951 ( 4.448 -5.699 -4.651) 8.596 5.951 ( 4.448 5.699 -4.651) 8.596 6.072 ( -5.079 -2.785 -3.885) 6.974 6.072 ( -5.079 2.785 -3.885) 6.974 6.334 ( -1.034 -2.533 2.301) 3.575 6.334 ( -1.034 2.533 2.301) 3.575 6.510 ( 0.481 -2.288 1.125) 2.594 6.510 ( 0.481 2.288 1.125) 2.594 6.585 ( 8.169 -4.505 -4.120) 10.198 6.585 ( 8.169 4.505 -4.120) 10.198 6.748 ( 1.230 -3.102 -1.181) 3.540 6.748 ( 1.230 3.102 -1.181) 3.540 7.059 ( 1.691 -1.921 0.420) 2.593 7.059 ( 1.691 1.921 0.420) 2.593 7.248 ( -1.355 -3.756 2.821) 4.889 7.248 ( -1.355 3.756 2.821) 4.889 7.528 ( 1.208 -6.778 -0.460) 6.900 7.528 ( 1.208 6.778 -0.460) 6.900 7.680 ( 8.845 -1.150 3.449) 9.563 7.680 ( 8.845 1.150 3.449) 9.563 8.424 ( -0.012 -3.055 0.455) 3.089 8.424 ( -0.012 3.055 0.455) 3.089 8.560 ( 0.250 -5.118 0.134) 5.126 8.560 ( 0.250 5.118 0.134) 5.126 8.827 ( 1.698 -0.965 0.560) 2.032 8.827 ( 1.698 0.965 0.560) 2.032 9.018 ( 2.207 -1.929 -3.195) 4.336 9.018 ( 2.207 1.929 -3.195) 4.336 9.194 ( -7.588 -4.778 0.739) 8.997 9.194 ( -7.588 4.778 0.739) 8.997 9.495 ( 4.090 -3.844 -0.110) 5.614 9.495 ( 4.090 3.844 -0.110) 5.614 9.992 ( -4.993 -3.757 1.091) 6.343 9.992 ( -4.993 3.757 1.091) 6.343 10.148 ( -1.438 -3.613 0.181) 3.892 10.148 ( -1.438 3.613 0.181) 3.892 10.511 ( -1.467 -6.691 2.396) 7.257 10.511 ( -1.467 6.691 2.396) 7.257 10.681 ( -1.298 -7.590 -3.305) 8.380 10.681 ( -1.298 7.590 -3.305) 8.380 14.853 ( 0.013 -3.495 0.317) 3.510 14.853 ( 0.013 3.495 0.317) 3.510 14.885 ( 0.761 -2.114 -0.683) 2.348 14.885 ( 0.761 2.114 -0.683) 2.348 15.987 ( -1.074 -13.738 0.067) 13.780 15.987 ( -1.074 13.738 0.067) 13.780 16.005 ( -1.148 -15.649 -0.241) 15.693 16.005 ( -1.148 15.649 -0.241) 15.693 16.405 ( 0.840 -8.545 1.670) 8.747 16.405 ( 0.840 8.545 1.670) 8.747 16.525 ( 0.997 -10.523 -1.292) 10.649 16.525 ( 0.997 10.523 -1.292) 10.649 21.964 ( 0.030 -0.913 0.007) 0.913 21.964 ( 0.030 0.913 0.007) 0.913 21.987 ( 0.214 -0.742 -0.022) 0.773 21.987 ( 0.214 0.742 -0.022) 0.773 23.122 ( -0.632 -0.714 0.127) 0.962 23.122 ( -0.632 0.714 0.127) 0.962 23.375 ( 0.216 -0.618 0.271) 0.709 23.375 ( 0.216 0.618 0.271) 0.709 23.678 ( -0.372 -4.875 0.188) 4.893 23.678 ( -0.372 4.875 0.188) 4.893 23.718 ( 0.870 -5.319 -0.330) 5.400 23.718 ( 0.870 5.319 -0.330) 5.400 24.569 ( 0.588 -0.332 0.034) 0.676 24.569 ( 0.588 0.332 0.034) 0.676 24.613 ( 0.058 -1.034 -0.217) 1.058 24.613 ( 0.058 1.034 -0.217) 1.058 25.144 ( -0.396 -1.122 0.787) 1.427 25.144 ( -0.396 1.122 0.787) 1.427 25.216 ( -0.710 -1.716 -0.798) 2.021 25.216 ( -0.710 1.716 -0.798) 2.021 ======================= Grid point 117 (60/84) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 13.446 -9.333 0.958) 16.396 2.248 ( 13.446 9.333 0.958) 16.396 2.309 ( 10.638 -9.107 -1.523) 14.087 2.309 ( 10.638 9.107 -1.523) 14.087 2.445 ( 4.920 -5.832 2.020) 7.893 2.445 ( 4.920 5.832 2.020) 7.893 2.729 ( 4.315 -10.219 -1.550) 11.201 2.729 ( 4.315 10.219 -1.550) 11.200 2.943 ( -1.257 -6.315 0.300) 6.446 2.943 ( -1.257 6.315 0.300) 6.446 3.181 ( -3.210 -2.906 -2.354) 4.929 3.181 ( -3.210 2.906 -2.354) 4.929 3.445 ( -7.333 -3.318 -3.131) 8.636 3.445 ( -7.333 3.318 -3.131) 8.636 3.622 ( -12.804 -8.313 2.261) 15.432 3.622 ( -12.804 8.313 2.261) 15.432 3.801 ( -3.893 -7.707 2.166) 8.902 3.801 ( -3.893 7.707 2.166) 8.902 4.119 ( 3.970 -8.020 1.042) 9.009 4.119 ( 3.970 8.020 1.042) 9.009 4.276 ( -3.541 -4.759 -1.531) 6.126 4.276 ( -3.541 4.759 -1.531) 6.126 4.387 ( 3.330 -5.580 3.375) 7.323 4.387 ( 3.330 5.580 3.375) 7.323 4.645 ( 1.192 -6.526 2.344) 7.036 4.645 ( 1.192 6.526 2.344) 7.036 4.794 ( -6.626 -3.811 -1.091) 7.721 4.794 ( -6.626 3.811 -1.091) 7.721 4.974 ( -3.148 -3.057 2.222) 4.918 4.974 ( -3.148 3.057 2.222) 4.918 5.295 ( 2.600 -2.849 -1.154) 4.026 5.295 ( 2.600 2.849 -1.154) 4.026 5.594 ( 5.185 -0.297 -0.576) 5.225 5.594 ( 5.185 0.297 -0.576) 5.225 5.739 ( -2.131 -6.938 -0.800) 7.302 5.739 ( -2.131 6.938 -0.800) 7.302 5.953 ( -0.285 -7.544 -6.036) 9.666 5.953 ( -0.285 7.544 -6.036) 9.666 5.976 ( -2.214 -5.608 -3.891) 7.175 5.976 ( -2.214 5.608 -3.891) 7.175 6.322 ( -3.022 -4.639 4.799) 7.327 6.322 ( -3.022 4.639 4.799) 7.327 6.532 ( 2.602 -1.982 -1.373) 3.547 6.532 ( 2.602 1.982 -1.373) 3.547 6.709 ( 1.942 -0.703 -1.758) 2.713 6.709 ( 1.943 0.703 -1.758) 2.713 6.789 ( 4.289 -1.440 2.104) 4.990 6.789 ( 4.289 1.440 2.104) 4.990 7.093 ( 0.561 -3.899 0.762) 4.013 7.093 ( 0.561 3.899 0.762) 4.013 7.207 ( -3.030 -5.792 1.607) 6.731 7.207 ( -3.030 5.792 1.607) 6.731 7.650 ( 9.526 -3.576 1.587) 10.298 7.650 ( 9.526 3.576 1.587) 10.298 7.891 ( 11.651 -5.292 0.702) 12.816 7.891 ( 11.651 5.292 0.702) 12.816 8.341 ( -8.255 -1.182 -0.860) 8.383 8.341 ( -8.255 1.182 -0.860) 8.383 8.595 ( 1.365 -3.639 0.026) 3.887 8.595 ( 1.365 3.639 0.026) 3.887 8.839 ( -0.158 -1.016 -0.581) 1.181 8.839 ( -0.158 1.016 -0.581) 1.181 8.969 ( -4.742 -1.813 -4.506) 6.788 8.969 ( -4.742 1.813 -4.506) 6.788 9.182 ( 5.378 -2.506 3.799) 7.045 9.182 ( 5.378 2.506 3.799) 7.045 9.576 ( 2.962 -2.275 2.547) 4.521 9.576 ( 2.962 2.275 2.547) 4.521 9.858 ( -6.981 -1.042 -0.860) 7.111 9.858 ( -6.981 1.042 -0.860) 7.111 10.109 ( -3.156 -1.805 -0.205) 3.641 10.109 ( -3.156 1.805 -0.205) 3.641 10.485 ( -1.173 -6.499 1.034) 6.684 10.485 ( -1.173 6.499 1.034) 6.684 10.644 ( -1.096 -9.318 -2.002) 9.593 10.644 ( -1.096 9.318 -2.002) 9.593 14.854 ( 0.009 -4.747 0.110) 4.748 14.854 ( 0.009 4.747 0.110) 4.748 14.900 ( 0.822 -4.048 -0.488) 4.159 14.900 ( 0.822 4.048 -0.488) 4.159 15.963 ( -1.162 -5.941 0.015) 6.054 15.963 ( -1.162 5.941 0.015) 6.054 15.982 ( -0.935 -5.489 -0.251) 5.573 15.982 ( -0.935 5.489 -0.251) 5.573 16.431 ( 0.668 -10.021 1.871) 10.216 16.431 ( 0.668 10.021 1.871) 10.216 16.539 ( 0.972 -11.931 -1.471) 12.060 16.539 ( 0.972 11.931 -1.471) 12.060 21.965 ( 0.039 -0.454 0.079) 0.462 21.965 ( 0.039 0.454 0.079) 0.462 21.992 ( 0.241 -0.879 -0.117) 0.919 21.992 ( 0.241 0.879 -0.117) 0.919 23.110 ( -0.586 -1.283 0.093) 1.414 23.110 ( -0.586 1.283 0.093) 1.414 23.376 ( -0.142 -1.040 -0.288) 1.089 23.376 ( -0.142 1.040 -0.288) 1.089 23.676 ( 0.156 -2.592 -0.406) 2.629 23.676 ( 0.156 2.592 -0.406) 2.629 23.735 ( 0.618 -5.561 0.874) 5.663 23.735 ( 0.618 5.561 0.874) 5.663 24.582 ( 0.608 -0.307 -0.198) 0.710 24.582 ( 0.608 0.307 -0.198) 0.710 24.615 ( 0.173 -1.444 0.075) 1.456 24.615 ( 0.173 1.444 0.075) 1.456 25.134 ( -0.718 -0.824 0.174) 1.107 25.134 ( -0.718 0.824 0.174) 1.107 25.200 ( -0.532 -2.185 -0.258) 2.264 25.200 ( -0.532 2.185 -0.258) 2.264 ======================= Grid point 143 (61/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 1.779 0.000 -18.420) 18.505 0.885 ( -1.779 0.000 18.420) 18.505 0.970 ( 2.611 0.000 -19.927) 20.097 0.970 ( -2.611 0.000 19.927) 20.097 1.798 ( -1.816 0.000 -35.005) 35.052 1.798 ( 1.816 0.000 35.005) 35.052 2.458 ( 3.761 0.000 -3.124) 4.889 2.458 ( -3.761 0.000 3.124) 4.889 2.638 ( 1.005 0.000 -1.366) 1.696 2.638 ( -1.005 0.000 1.366) 1.696 3.100 ( -2.912 0.000 -1.901) 3.477 3.100 ( 2.912 0.000 1.901) 3.477 3.206 ( -1.852 0.000 -4.561) 4.922 3.206 ( 1.852 0.000 4.561) 4.922 3.607 ( 10.267 0.000 -10.012) 14.341 3.607 ( -10.267 0.000 10.012) 14.341 4.049 ( 5.258 0.000 -8.757) 10.214 4.049 ( -5.258 0.000 8.757) 10.214 4.363 ( 2.206 0.000 -2.750) 3.525 4.363 ( -2.206 0.000 2.750) 3.525 4.551 ( -3.103 0.000 -6.590) 7.284 4.551 ( 3.103 0.000 6.590) 7.284 4.895 ( -1.524 0.000 -0.537) 1.616 4.895 ( 1.524 0.000 0.537) 1.616 5.055 ( 1.354 0.000 -1.959) 2.381 5.055 ( -1.354 0.000 1.959) 2.381 5.142 ( -2.382 0.000 -3.985) 4.643 5.142 ( 2.382 0.000 3.985) 4.643 5.302 ( 6.117 0.000 -8.686) 10.624 5.302 ( -6.117 0.000 8.686) 10.624 5.482 ( -6.591 0.000 -0.331) 6.599 5.482 ( 6.591 0.000 0.331) 6.599 5.652 ( -3.949 0.000 -0.442) 3.973 5.652 ( 3.949 0.000 0.442) 3.973 5.783 ( -1.516 0.000 0.265) 1.539 5.783 ( 1.516 0.000 -0.265) 1.539 5.971 ( -1.993 0.000 -0.060) 1.994 5.971 ( 1.993 0.000 0.060) 1.994 6.120 ( 1.443 0.000 -2.011) 2.475 6.120 ( -1.443 0.000 2.011) 2.475 6.310 ( -1.866 0.000 -1.912) 2.672 6.310 ( 1.866 0.000 1.912) 2.672 6.513 ( -1.732 0.000 -5.953) 6.200 6.513 ( 1.732 0.000 5.953) 6.200 6.536 ( -2.463 0.000 0.465) 2.507 6.536 ( 2.463 0.000 -0.465) 2.507 6.891 ( -7.655 0.000 -8.829) 11.685 6.891 ( 7.655 0.000 8.829) 11.685 7.015 ( -6.065 0.000 -4.389) 7.487 7.015 ( 6.065 0.000 4.389) 7.487 7.233 ( -1.913 0.000 -5.979) 6.277 7.233 ( 1.913 0.000 5.979) 6.277 7.385 ( -4.779 0.000 -3.251) 5.779 7.385 ( 4.779 0.000 3.251) 5.779 7.965 ( 5.470 0.000 -7.895) 9.605 7.965 ( -5.470 0.000 7.895) 9.605 8.249 ( -0.987 0.000 0.308) 1.034 8.249 ( 0.987 0.000 -0.308) 1.034 8.501 ( 2.943 0.000 -3.716) 4.740 8.501 ( -2.943 0.000 3.716) 4.740 8.707 ( 3.344 0.000 -2.663) 4.275 8.707 ( -3.344 0.000 2.663) 4.275 9.002 ( 3.132 0.000 -5.911) 6.689 9.002 ( -3.132 0.000 5.911) 6.689 9.319 ( 3.411 0.000 -5.818) 6.744 9.319 ( -3.411 0.000 5.818) 6.744 9.475 ( -0.929 0.000 -1.951) 2.161 9.475 ( 0.929 0.000 1.951) 2.161 9.768 ( -10.565 0.000 -3.845) 11.243 9.768 ( 10.565 0.000 3.845) 11.243 10.010 ( -0.321 0.000 -2.833) 2.851 10.010 ( 0.321 0.000 2.833) 2.851 10.070 ( -4.026 0.000 -4.029) 5.696 10.070 ( 4.026 0.000 4.029) 5.696 11.160 ( -2.923 0.000 -4.866) 5.676 11.160 ( 2.923 0.000 4.866) 5.676 13.817 ( 0.950 0.000 -1.476) 1.755 13.817 ( -0.950 0.000 1.476) 1.755 13.879 ( 0.316 0.000 -0.137) 0.344 13.879 ( -0.316 0.000 0.137) 0.344 15.387 ( 4.765 0.000 -2.851) 5.552 15.387 ( -4.765 0.000 2.851) 5.552 15.685 ( 6.948 0.000 -2.646) 7.435 15.685 ( -6.948 0.000 2.646) 7.435 16.603 ( 2.767 0.000 -1.595) 3.194 16.603 ( -2.767 0.000 1.595) 3.194 17.036 ( -7.323 0.000 0.279) 7.328 17.036 ( 7.323 0.000 -0.279) 7.328 21.869 ( -0.013 0.000 -0.563) 0.563 21.869 ( 0.013 0.000 0.563) 0.563 22.072 ( 0.054 0.000 -1.458) 1.459 22.072 ( -0.054 0.000 1.458) 1.459 22.353 ( -0.575 0.000 0.029) 0.576 22.353 ( 0.575 0.000 -0.029) 0.576 23.172 ( 0.854 0.000 -1.588) 1.803 23.172 ( -0.854 0.000 1.588) 1.803 23.489 ( -0.515 0.000 -0.867) 1.008 23.489 ( 0.515 0.000 0.867) 1.008 24.168 ( 0.207 0.000 -0.206) 0.292 24.168 ( -0.207 0.000 0.206) 0.292 24.539 ( -2.552 0.000 -2.155) 3.340 24.539 ( 2.552 0.000 2.155) 3.340 24.765 ( -2.274 0.000 0.474) 2.323 24.765 ( 2.274 0.000 -0.474) 2.323 24.977 ( -0.975 0.000 0.262) 1.010 24.977 ( 0.975 0.000 -0.262) 1.010 26.057 ( 5.908 0.000 -3.070) 6.658 26.057 ( -5.908 0.000 3.070) 6.658 ======================= Grid point 145 (62/84) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 12.331 0.000 -6.658) 14.014 1.084 ( 20.788 0.000 -12.465) 24.239 1.163 ( 12.586 0.000 14.077) 18.883 1.179 ( 19.302 0.000 4.593) 19.841 1.653 ( 5.515 0.000 -28.515) 29.043 1.930 ( -2.090 0.000 17.722) 17.845 2.291 ( -12.882 0.000 6.690) 14.516 2.381 ( -10.029 0.000 0.456) 10.039 2.560 ( -5.909 0.000 -3.564) 6.901 2.588 ( -4.096 0.000 -5.235) 6.647 3.056 ( 0.528 0.000 -2.748) 2.798 3.198 ( 9.805 0.000 4.516) 10.795 3.336 ( 9.028 0.000 2.650) 9.409 3.341 ( 4.510 0.000 7.739) 8.957 3.578 ( 2.764 0.000 6.352) 6.927 3.795 ( 11.346 0.000 -9.293) 14.666 4.025 ( -1.735 0.000 11.122) 11.257 4.088 ( -2.262 0.000 -0.642) 2.351 4.264 ( -4.335 0.000 0.045) 4.335 4.272 ( -7.585 0.000 -6.764) 10.163 4.463 ( 2.819 0.000 -11.789) 12.121 4.521 ( -6.811 0.000 0.411) 6.823 4.823 ( -9.147 0.000 7.573) 11.875 4.841 ( -6.180 0.000 -2.272) 6.584 4.925 ( -9.732 0.000 -5.251) 11.058 4.957 ( -6.607 0.000 1.246) 6.723 5.152 ( 5.731 0.000 0.509) 5.754 5.155 ( 3.129 0.000 -1.847) 3.633 5.214 ( -8.193 0.000 7.832) 11.334 5.370 ( 2.487 0.000 -5.569) 6.099 5.517 ( 6.345 0.000 4.261) 7.643 5.580 ( -3.747 0.000 -3.145) 4.892 5.604 ( -2.974 0.000 1.448) 3.308 5.710 ( 2.249 0.000 0.844) 2.402 5.834 ( 2.943 0.000 0.568) 2.997 5.861 ( 8.627 0.000 0.796) 8.663 5.939 ( -0.548 0.000 2.198) 2.265 5.964 ( -0.992 0.000 1.223) 1.575 6.122 ( -1.248 0.000 -0.557) 1.367 6.130 ( 1.102 0.000 1.057) 1.527 6.166 ( -8.800 0.000 -1.569) 8.939 6.282 ( -3.072 0.000 1.992) 3.661 6.532 ( 4.447 0.000 -4.066) 6.026 6.561 ( 4.085 0.000 -0.389) 4.104 6.618 ( 2.873 0.000 3.214) 4.312 6.626 ( 3.286 0.000 1.636) 3.670 6.800 ( 2.534 0.000 -6.084) 6.590 6.840 ( -5.582 0.000 -0.866) 5.649 7.107 ( 1.991 0.000 5.337) 5.696 7.107 ( -0.336 0.000 1.825) 1.856 7.145 ( 3.622 0.000 -2.302) 4.292 7.185 ( 1.117 0.000 3.659) 3.825 7.482 ( -3.022 0.000 2.502) 3.923 7.498 ( 9.406 0.000 1.920) 9.600 7.828 ( -5.486 0.000 0.062) 5.487 7.880 ( -7.344 0.000 -10.468) 12.787 8.146 ( -9.669 0.000 -0.293) 9.673 8.181 ( -7.586 0.000 -0.496) 7.603 8.317 ( -16.211 0.000 -7.847) 18.011 8.525 ( -7.763 0.000 6.344) 10.025 8.532 ( 0.765 0.000 2.974) 3.070 8.582 ( 3.496 0.000 -3.015) 4.617 8.958 ( -3.771 0.000 -5.175) 6.403 9.023 ( -2.681 0.000 7.039) 7.532 9.377 ( 3.663 0.000 -12.493) 13.019 9.390 ( -1.678 0.000 10.664) 10.795 9.565 ( 6.078 0.000 3.109) 6.827 9.599 ( 9.103 0.000 -1.221) 9.185 9.732 ( 9.793 0.000 6.887) 11.972 9.827 ( -0.409 0.000 0.875) 0.966 9.993 ( -1.232 0.000 -4.052) 4.235 10.027 ( -1.042 0.000 2.875) 3.058 10.245 ( 18.818 0.000 -1.330) 18.865 10.583 ( 32.348 0.000 -7.484) 33.203 11.092 ( -1.404 0.000 -4.632) 4.840 11.244 ( 3.062 0.000 4.567) 5.499 13.802 ( -0.849 0.000 1.409) 1.645 13.820 ( 0.215 0.000 -1.457) 1.473 13.870 ( -0.624 0.000 0.200) 0.655 13.879 ( -0.249 0.000 -0.193) 0.315 15.280 ( -5.956 0.000 0.928) 6.028 15.339 ( -9.323 0.000 -0.268) 9.327 15.600 ( 0.911 0.000 1.482) 1.739 15.718 ( -0.967 0.000 -2.947) 3.102 16.631 ( 3.694 0.000 2.599) 4.517 16.688 ( 4.764 0.000 -1.530) 5.003 16.927 ( -4.392 0.000 4.613) 6.369 17.134 ( -0.196 0.000 2.392) 2.400 21.873 ( 0.368 0.000 -0.552) 0.663 21.877 ( 0.141 0.000 0.720) 0.734 22.312 ( 5.847 0.000 3.332) 6.729 22.330 ( 19.950 0.000 -3.061) 20.184 22.349 ( 1.767 0.000 -0.067) 1.768 22.468 ( 21.529 0.000 9.783) 23.647 23.162 ( -0.916 0.000 0.637) 1.116 23.185 ( 0.759 0.000 -0.187) 0.782 23.487 ( 0.816 0.000 -0.288) 0.865 23.523 ( 3.404 0.000 0.621) 3.460 24.139 ( -3.311 0.000 -0.644) 3.373 24.146 ( -1.953 0.000 0.277) 1.973 24.495 ( -0.526 0.000 -2.400) 2.457 24.604 ( 3.094 0.000 0.636) 3.158 24.719 ( -2.442 0.000 0.529) 2.498 24.790 ( 0.306 0.000 -0.725) 0.787 24.985 ( 1.368 0.000 0.878) 1.626 25.027 ( 4.113 0.000 0.021) 4.113 25.787 ( -17.334 0.000 -7.548) 18.907 25.988 ( -9.470 0.000 -3.023) 9.941 ======================= Grid point 146 (63/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 12.307 0.000 0.288) 12.310 1.369 ( 12.597 0.000 -14.448) 19.168 1.484 ( 12.225 0.000 10.312) 15.993 1.522 ( 10.179 0.000 1.867) 10.349 1.819 ( 10.463 0.000 -3.906) 11.168 1.926 ( -1.938 0.000 -1.200) 2.279 2.125 ( -5.629 0.000 11.726) 13.008 2.154 ( -7.270 0.000 -2.472) 7.679 2.457 ( 2.518 0.000 -3.848) 4.599 2.485 ( 0.184 0.000 -7.591) 7.594 3.001 ( -9.908 0.000 2.516) 10.222 3.293 ( -11.047 0.000 -6.182) 12.659 3.463 ( 5.542 0.000 6.763) 8.744 3.514 ( 9.135 0.000 11.999) 15.081 3.665 ( 5.124 0.000 -1.753) 5.415 3.935 ( -7.252 0.000 -0.244) 7.256 4.014 ( -2.179 0.000 0.003) 2.179 4.019 ( 6.690 0.000 2.367) 7.096 4.186 ( 5.692 0.000 -5.687) 8.046 4.237 ( 4.710 0.000 -8.860) 10.035 4.389 ( -4.853 0.000 4.259) 6.457 4.586 ( 7.086 0.000 0.997) 7.155 4.650 ( -7.473 0.000 5.336) 9.182 4.685 ( -6.998 0.000 -5.054) 8.632 4.750 ( -5.681 0.000 -3.167) 6.504 4.840 ( -7.863 0.000 1.054) 7.934 5.116 ( -3.071 0.000 4.406) 5.371 5.202 ( 0.878 0.000 1.666) 1.883 5.217 ( -4.268 0.000 0.909) 4.364 5.350 ( -0.659 0.000 -3.882) 3.938 5.439 ( -6.449 0.000 2.803) 7.032 5.509 ( -0.825 0.000 -2.766) 2.886 5.688 ( 7.186 0.000 6.199) 9.490 5.821 ( 5.377 0.000 -1.368) 5.548 5.884 ( 0.035 0.000 -3.557) 3.557 5.888 ( 1.871 0.000 3.083) 3.606 5.942 ( -1.712 0.000 4.172) 4.510 6.045 ( 2.569 0.000 -1.687) 3.074 6.045 ( 0.369 0.000 -3.983) 4.000 6.092 ( -2.257 0.000 0.221) 2.268 6.102 ( -3.919 0.000 3.091) 4.992 6.259 ( -1.506 0.000 -5.383) 5.590 6.470 ( -6.961 0.000 -2.987) 7.575 6.561 ( -1.723 0.000 -2.083) 2.703 6.673 ( 2.815 0.000 2.791) 3.964 6.696 ( 5.036 0.000 -1.517) 5.260 6.857 ( 2.458 0.000 0.621) 2.535 6.880 ( 3.451 0.000 -1.646) 3.824 7.062 ( -1.019 0.000 3.193) 3.352 7.084 ( -0.832 0.000 1.017) 1.315 7.267 ( -1.630 0.000 8.046) 8.210 7.348 ( 11.332 0.000 1.600) 11.444 7.440 ( 5.939 0.000 -0.640) 5.973 7.533 ( -7.591 0.000 -7.911) 10.964 7.809 ( 5.214 0.000 -1.858) 5.535 7.818 ( 5.363 0.000 -3.556) 6.435 7.919 ( -10.809 0.000 -0.196) 10.811 7.984 ( -9.284 0.000 -0.526) 9.299 8.142 ( -4.214 0.000 0.213) 4.220 8.333 ( -13.163 0.000 3.310) 13.573 8.610 ( 4.289 0.000 4.422) 6.160 8.690 ( 7.738 0.000 -4.790) 9.101 8.848 ( -4.711 0.000 -5.196) 7.013 8.954 ( -6.562 0.000 5.694) 8.688 9.379 ( 2.938 0.000 -13.047) 13.374 9.381 ( -3.409 0.000 11.674) 12.162 9.711 ( 6.377 0.000 3.773) 7.409 9.724 ( 6.431 0.000 -3.975) 7.560 9.833 ( 0.155 0.000 0.689) 0.706 9.923 ( 3.298 0.000 7.596) 8.281 9.935 ( -2.553 0.000 -3.994) 4.740 10.008 ( -1.510 0.000 0.633) 1.637 10.635 ( 14.433 0.000 8.985) 17.001 10.931 ( 4.046 0.000 -8.497) 9.411 11.134 ( 10.245 0.000 -4.645) 11.249 11.305 ( 0.511 0.000 4.151) 4.183 13.805 ( 0.638 0.000 0.781) 1.009 13.823 ( 0.781 0.000 -0.629) 1.003 13.855 ( -0.917 0.000 0.011) 0.917 13.868 ( -0.775 0.000 -0.216) 0.804 15.174 ( -5.996 0.000 1.781) 6.255 15.178 ( -4.157 0.000 -0.245) 4.165 15.647 ( 2.246 0.000 -0.478) 2.296 15.685 ( -0.573 0.000 -2.004) 2.085 16.722 ( 3.118 0.000 3.382) 4.600 16.750 ( 2.659 0.000 -3.054) 4.049 16.902 ( -0.468 0.000 5.064) 5.085 17.064 ( -5.106 0.000 -2.304) 5.602 21.877 ( 0.334 0.000 -0.566) 0.657 21.880 ( -0.074 0.000 0.662) 0.666 22.341 ( 0.153 0.000 0.541) 0.562 22.345 ( 0.014 0.000 -0.298) 0.298 22.760 ( 20.667 0.000 -4.041) 21.058 22.923 ( 10.981 0.000 10.962) 15.516 23.138 ( -0.988 0.000 -2.524) 2.710 23.185 ( -2.760 0.000 5.483) 6.138 23.536 ( 4.362 0.000 1.230) 4.532 23.668 ( 8.392 0.000 3.470) 9.081 24.029 ( -6.067 0.000 -1.406) 6.228 24.097 ( -3.144 0.000 0.024) 3.144 24.511 ( 2.921 0.000 -0.156) 2.925 24.656 ( 0.606 0.000 -2.552) 2.623 24.679 ( -0.341 0.000 1.923) 1.953 24.771 ( -1.774 0.000 -0.200) 1.785 25.036 ( 3.012 0.000 2.277) 3.776 25.125 ( 4.776 0.000 -0.681) 4.825 25.459 ( -7.901 0.000 -11.346) 13.826 25.731 ( -14.205 0.000 -0.495) 14.214 ======================= Grid point 147 (64/84) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.165 0.000 -7.061) 7.063 1.462 ( -0.165 0.000 7.061) 7.063 1.644 ( -2.444 0.000 -3.569) 4.326 1.644 ( 2.444 0.000 3.569) 4.326 1.823 ( -2.328 0.000 -10.311) 10.570 1.823 ( 2.328 0.000 10.311) 10.570 2.108 ( 1.734 0.000 -8.374) 8.552 2.108 ( -1.734 0.000 8.374) 8.552 2.654 ( -12.845 0.000 4.032) 13.463 2.654 ( 12.845 0.000 -4.032) 13.463 2.857 ( -20.850 0.000 -5.518) 21.568 2.857 ( 20.850 0.000 5.518) 21.568 3.661 ( -6.489 0.000 -7.626) 10.013 3.661 ( 6.489 0.000 7.626) 10.013 3.692 ( 2.768 0.000 -8.242) 8.695 3.692 ( -2.768 0.000 8.242) 8.695 4.062 ( 7.048 0.000 -7.082) 9.992 4.062 ( -7.048 0.000 7.082) 9.992 4.300 ( -1.183 0.000 -0.823) 1.441 4.300 ( 1.183 0.000 0.823) 1.441 4.499 ( -10.683 0.000 -6.065) 12.284 4.499 ( 10.683 0.000 6.065) 12.284 4.592 ( 0.952 0.000 -3.878) 3.993 4.592 ( -0.952 0.000 3.878) 3.993 4.722 ( -0.685 0.000 -3.609) 3.673 4.722 ( 0.685 0.000 3.609) 3.673 5.110 ( 1.732 0.000 -0.904) 1.954 5.110 ( -1.732 0.000 0.904) 1.954 5.261 ( -3.732 0.000 -6.799) 7.756 5.261 ( 3.732 0.000 6.799) 7.756 5.468 ( -2.700 0.000 -3.426) 4.362 5.468 ( 2.700 0.000 3.426) 4.362 5.838 ( -2.896 0.000 -7.062) 7.633 5.838 ( 2.896 0.000 7.062) 7.633 5.891 ( 2.376 0.000 -4.939) 5.481 5.891 ( -2.376 0.000 4.939) 5.481 6.008 ( -6.345 0.000 -3.493) 7.242 6.008 ( 6.345 0.000 3.493) 7.242 6.047 ( 1.517 0.000 -1.751) 2.317 6.047 ( -1.517 0.000 1.751) 2.317 6.114 ( -6.749 0.000 2.239) 7.110 6.114 ( 6.749 0.000 -2.239) 7.110 6.480 ( -4.596 0.000 -0.458) 4.618 6.480 ( 4.596 0.000 0.458) 4.618 6.729 ( -0.860 0.000 -1.492) 1.722 6.729 ( 0.860 0.000 1.492) 1.722 6.888 ( 0.269 0.000 -4.932) 4.939 6.888 ( -0.269 0.000 4.932) 4.939 7.081 ( 0.269 0.000 -0.425) 0.503 7.081 ( -0.269 0.000 0.425) 0.503 7.327 ( -5.260 0.000 -13.433) 14.426 7.327 ( 5.260 0.000 13.433) 14.426 7.565 ( -3.848 0.000 -1.255) 4.047 7.565 ( 3.848 0.000 1.255) 4.047 7.727 ( -2.229 0.000 -1.640) 2.768 7.727 ( 2.229 0.000 1.640) 2.768 8.002 ( 1.056 0.000 -1.437) 1.783 8.002 ( -1.056 0.000 1.437) 1.783 8.085 ( -6.352 0.000 0.008) 6.352 8.085 ( 6.352 0.000 -0.008) 6.352 8.726 ( -4.938 0.000 -5.116) 7.111 8.726 ( 4.938 0.000 5.116) 7.111 8.830 ( 8.155 0.000 -4.929) 9.528 8.830 ( -8.155 0.000 4.929) 9.528 9.375 ( 2.894 0.000 -12.758) 13.082 9.375 ( -2.894 0.000 12.758) 13.082 9.805 ( 2.567 0.000 -3.993) 4.747 9.805 ( -2.567 0.000 3.993) 4.747 9.848 ( -3.848 0.000 -2.888) 4.811 9.848 ( 3.848 0.000 2.888) 4.811 9.980 ( -0.796 0.000 -3.278) 3.373 9.980 ( 0.796 0.000 3.278) 3.373 10.861 ( -5.175 0.000 -8.293) 9.775 10.861 ( 5.175 0.000 8.293) 9.775 11.282 ( 5.178 0.000 -4.240) 6.693 11.282 ( -5.178 0.000 4.240) 6.693 13.827 ( -1.030 0.000 -0.006) 1.030 13.827 ( 1.030 0.000 0.006) 1.030 13.849 ( -0.918 0.000 0.167) 0.933 13.849 ( 0.918 0.000 -0.167) 0.933 15.127 ( -0.261 0.000 -1.150) 1.179 15.127 ( 0.261 0.000 1.150) 1.179 15.673 ( -0.573 0.000 -0.153) 0.593 15.673 ( 0.573 0.000 0.153) 0.593 16.765 ( 0.391 0.000 -3.880) 3.899 16.765 ( -0.391 0.000 3.880) 3.899 16.957 ( -3.591 0.000 -4.277) 5.584 16.957 ( 3.591 0.000 4.277) 5.584 21.880 ( 0.251 0.000 -0.619) 0.668 21.880 ( -0.251 0.000 0.619) 0.668 22.344 ( 0.030 0.000 -0.411) 0.412 22.344 ( -0.030 0.000 0.411) 0.412 23.028 ( -3.198 0.000 -3.239) 4.552 23.028 ( 3.198 0.000 3.239) 4.552 23.119 ( 5.062 0.000 -12.335) 13.333 23.119 ( -5.062 0.000 12.335) 13.333 23.673 ( -7.418 0.000 -1.521) 7.573 23.673 ( 7.418 0.000 1.521) 7.573 24.017 ( -4.145 0.000 -1.360) 4.362 24.017 ( 4.145 0.000 1.360) 4.362 24.592 ( -4.010 0.000 -1.890) 4.433 24.592 ( 4.010 0.000 1.890) 4.433 24.726 ( -2.701 0.000 0.296) 2.717 24.726 ( 2.701 0.000 -0.296) 2.717 25.120 ( -3.332 0.000 -4.236) 5.389 25.120 ( 3.332 0.000 4.236) 5.389 25.472 ( -10.759 0.000 2.593) 11.067 25.472 ( 10.759 0.000 -2.593) 11.067 ======================= Grid point 151 (65/84) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.377 15.979 -16.367) 22.877 1.055 ( 0.377 15.979 16.367) 22.877 1.172 ( 3.840 15.546 -16.067) 22.685 1.172 ( -3.840 15.546 16.067) 22.685 1.837 ( -0.914 4.348 -28.397) 28.743 1.837 ( 0.914 4.348 28.397) 28.743 2.511 ( -2.540 5.860 -2.648) 6.913 2.511 ( 2.540 5.860 2.648) 6.913 2.684 ( 0.060 5.688 -1.306) 5.836 2.684 ( -0.060 5.688 1.306) 5.836 3.103 ( -0.361 1.046 -5.124) 5.242 3.103 ( 0.361 1.046 5.124) 5.242 3.275 ( -2.348 5.231 -4.182) 7.097 3.275 ( 2.348 5.231 4.182) 7.097 3.611 ( 1.103 0.604 -8.719) 8.809 3.611 ( -1.103 0.604 8.719) 8.809 4.045 ( 3.717 -1.500 -5.938) 7.164 4.045 ( -3.717 -1.500 5.938) 7.164 4.328 ( -1.005 -4.639 -3.082) 5.659 4.328 ( 1.005 -4.639 3.082) 5.659 4.514 ( 0.224 -3.513 -8.191) 8.915 4.514 ( -0.224 -3.513 8.191) 8.915 4.770 ( -5.163 -9.315 -1.318) 10.732 4.770 ( 5.163 -9.315 1.318) 10.732 4.918 ( 0.183 -8.248 -7.377) 11.067 4.918 ( -0.183 -8.248 7.377) 11.067 5.190 ( 0.617 -1.025 -5.532) 5.660 5.190 ( -0.617 -1.025 5.532) 5.660 5.265 ( -2.718 -9.877 -4.027) 11.007 5.265 ( 2.718 -9.877 4.027) 11.007 5.364 ( 1.238 -2.525 -5.537) 6.210 5.364 ( -1.238 -2.525 5.537) 6.210 5.624 ( -0.435 -1.985 0.081) 2.034 5.624 ( 0.435 -1.985 -0.081) 2.034 5.785 ( -3.696 0.138 -1.955) 4.183 5.785 ( 3.696 0.138 1.955) 4.183 5.961 ( -7.756 0.556 -0.261) 7.780 5.961 ( 7.756 0.556 0.261) 7.780 6.180 ( 0.634 3.646 -2.695) 4.578 6.180 ( -0.634 3.646 2.695) 4.578 6.395 ( -1.091 5.873 -1.213) 6.095 6.395 ( 1.091 5.873 1.213) 6.095 6.494 ( -0.765 -0.536 -5.693) 5.769 6.494 ( 0.765 -0.536 5.693) 5.769 6.607 ( -2.767 5.064 -1.399) 5.938 6.607 ( 2.767 5.064 1.399) 5.938 6.817 ( -6.851 -5.769 -9.247) 12.874 6.817 ( 6.851 -5.769 9.247) 12.874 6.998 ( -5.517 -1.676 -2.116) 6.143 6.998 ( 5.517 -1.676 2.116) 6.143 7.280 ( -0.864 4.211 -3.170) 5.341 7.280 ( 0.864 4.211 3.170) 5.341 7.431 ( -6.249 2.202 -3.304) 7.404 7.431 ( 6.249 2.202 3.304) 7.404 7.789 ( 1.735 -7.457 -3.034) 8.236 7.789 ( -1.735 -7.457 3.034) 8.236 8.265 ( -1.536 1.735 -4.683) 5.225 8.265 ( 1.536 1.735 4.683) 5.225 8.428 ( -2.979 -0.395 -3.322) 4.480 8.428 ( 2.979 -0.395 3.322) 4.480 8.976 ( 3.586 -1.895 -5.258) 6.641 8.976 ( -3.586 -1.895 5.258) 6.641 9.126 ( -13.578 20.861 -10.341) 26.953 9.126 ( 13.578 20.861 10.341) 26.953 9.341 ( -2.980 -0.754 -5.373) 6.191 9.341 ( 2.980 -0.754 5.373) 6.191 9.438 ( 2.517 0.394 -2.344) 3.462 9.438 ( -2.517 0.394 2.344) 3.462 9.774 ( -10.841 -0.264 -3.200) 11.306 9.774 ( 10.841 -0.264 3.200) 11.306 10.001 ( -10.959 -3.877 -3.804) 12.232 10.001 ( 10.959 -3.877 3.804) 12.232 10.058 ( 4.258 2.391 -4.194) 6.438 10.058 ( -4.258 2.391 4.194) 6.438 11.126 ( -2.837 -3.187 -4.580) 6.260 11.126 ( 2.837 -3.187 4.580) 6.260 13.882 ( 0.113 9.517 -0.862) 9.557 13.882 ( -0.113 9.517 0.862) 9.557 14.171 ( -0.012 22.056 -4.295) 22.471 14.171 ( 0.012 22.056 4.295) 22.471 15.347 ( 2.640 -3.731 -1.956) 4.971 15.347 ( -2.640 -3.731 1.956) 4.971 15.704 ( 4.276 2.246 -2.436) 5.410 15.704 ( -4.276 2.246 2.436) 5.410 16.597 ( 2.056 -0.689 -1.667) 2.735 16.597 ( -2.056 -0.689 1.667) 2.735 17.007 ( 5.349 -2.326 -2.664) 6.412 17.007 ( -5.349 -2.326 2.664) 6.412 21.933 ( -0.639 3.749 -2.299) 4.444 21.933 ( 0.639 3.749 2.299) 4.444 22.062 ( 0.453 -0.917 -1.336) 1.682 22.062 ( -0.453 -0.917 1.336) 1.682 22.515 ( -1.803 14.304 -4.245) 15.029 22.515 ( 1.803 14.304 4.245) 15.029 23.196 ( 1.343 2.399 -2.601) 3.785 23.196 ( -1.343 2.399 2.601) 3.785 23.486 ( -0.618 -0.384 -0.804) 1.084 23.486 ( 0.618 -0.384 0.804) 1.084 24.147 ( 0.348 -2.071 -0.573) 2.177 24.147 ( -0.348 -2.071 0.573) 2.177 24.548 ( -1.365 0.689 -2.685) 3.090 24.548 ( 1.365 0.689 2.685) 3.090 24.756 ( -1.174 -0.840 -0.059) 1.445 24.756 ( 1.174 -0.840 0.059) 1.445 24.991 ( 0.123 1.326 -1.045) 1.693 24.991 ( -0.123 1.326 1.045) 1.693 25.884 ( -5.207 -14.595 -1.826) 15.603 25.884 ( 5.207 -14.595 1.826) 15.603 ======================= Grid point 153 (66/84) ======================= q-point: ( 0.17 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 16.279 9.804 -11.944) 22.446 1.226 ( 11.458 11.386 -1.236) 16.201 1.309 ( 12.411 11.760 2.019) 17.216 1.330 ( 11.163 12.778 7.729) 18.645 1.788 ( 9.999 13.332 -20.646) 26.532 1.967 ( 0.195 4.858 14.268) 15.074 2.323 ( -12.699 4.239 3.694) 13.888 2.475 ( -9.959 8.347 0.971) 13.030 2.614 ( -4.110 5.717 -1.121) 7.130 2.655 ( -4.405 7.655 -3.636) 9.551 3.074 ( -0.656 1.665 -2.436) 3.022 3.171 ( 5.234 -2.283 4.197) 7.087 3.308 ( 5.243 1.009 4.188) 6.785 3.357 ( 3.410 -0.825 3.848) 5.207 3.567 ( 2.434 -1.804 2.119) 3.698 3.817 ( 8.611 1.230 -5.258) 10.164 3.957 ( -4.313 -5.117 6.332) 9.213 4.125 ( -2.513 -0.332 1.804) 3.111 4.185 ( -4.761 -6.396 -3.594) 8.746 4.322 ( -4.035 2.353 -0.822) 4.743 4.372 ( -2.623 -5.533 -3.211) 6.914 4.548 ( 1.075 1.284 -2.621) 3.110 4.632 ( -5.834 -9.521 0.261) 11.169 4.851 ( -3.828 -3.512 1.047) 5.300 4.883 ( 0.533 -7.167 -4.330) 8.390 4.926 ( -1.495 -5.756 2.975) 6.650 5.115 ( -3.200 0.567 -2.831) 4.310 5.160 ( 0.356 -1.741 -0.508) 1.849 5.180 ( -5.107 -5.382 2.108) 7.713 5.350 ( 1.226 -1.087 -3.239) 3.630 5.376 ( 2.822 -9.645 5.074) 11.258 5.502 ( 1.291 -5.968 -1.676) 6.332 5.597 ( 2.944 -2.109 1.327) 3.857 5.620 ( -3.110 -5.466 2.441) 6.746 5.780 ( 4.084 -2.882 -1.732) 5.290 5.815 ( 0.270 -5.194 -0.640) 5.241 5.887 ( 0.917 -0.182 2.470) 2.642 6.081 ( -0.954 5.396 3.017) 6.255 6.125 ( -0.884 4.500 1.856) 4.948 6.188 ( 0.286 2.762 -3.042) 4.119 6.257 ( -8.889 4.900 -0.625) 10.169 6.341 ( -3.134 3.702 2.599) 5.503 6.526 ( 4.462 1.070 -3.360) 5.687 6.585 ( 0.777 1.738 0.131) 1.908 6.627 ( 2.748 -0.524 -0.253) 2.809 6.688 ( 4.524 3.273 1.787) 5.862 6.730 ( 2.354 -4.307 -2.416) 5.471 6.794 ( -5.599 -3.381 -2.060) 6.857 7.042 ( -1.842 -2.360 -0.666) 3.067 7.070 ( 7.710 -3.868 4.772) 9.858 7.209 ( -0.658 0.934 1.590) 1.958 7.240 ( -3.593 7.177 1.988) 8.269 7.453 ( 0.277 -2.406 0.384) 2.452 7.552 ( 4.988 2.095 -1.510) 5.617 7.757 ( -1.332 -5.477 -3.633) 6.706 7.831 ( 5.761 4.995 0.355) 7.633 8.141 ( -8.872 -4.135 -4.468) 10.760 8.206 ( -6.140 0.965 -1.979) 6.522 8.295 ( -10.689 5.820 -0.270) 12.174 8.520 ( 3.614 1.791 4.034) 5.704 8.751 ( -12.961 12.890 -0.242) 18.281 8.815 ( -10.679 10.140 3.152) 15.060 8.941 ( -2.999 -1.138 -4.242) 5.318 9.123 ( -6.524 11.429 4.814) 14.012 9.338 ( 1.703 -4.745 -8.965) 10.286 9.381 ( 0.906 -3.544 4.162) 5.541 9.513 ( 2.686 -1.233 3.357) 4.472 9.560 ( 2.748 -2.246 -1.199) 3.746 9.744 ( 9.350 0.222 8.146) 12.402 9.835 ( 1.739 -0.633 -0.035) 1.851 9.936 ( -0.461 -3.877 -2.724) 4.761 10.048 ( 0.435 1.679 1.963) 2.619 10.252 ( 17.026 0.423 -1.518) 17.099 10.546 ( 29.484 -3.330 -5.255) 30.134 11.061 ( -1.259 -2.950 -4.447) 5.483 11.207 ( 2.961 -3.517 4.170) 6.207 13.886 ( 0.793 9.813 -0.098) 9.845 13.901 ( 1.430 10.340 0.417) 10.447 14.110 ( -3.600 19.599 -1.284) 19.968 14.164 ( -2.796 21.776 1.783) 22.027 15.243 ( -5.911 -3.169 0.808) 6.756 15.326 ( -5.963 -1.438 -0.481) 6.153 15.626 ( -0.493 2.816 2.281) 3.657 15.739 ( -0.405 2.121 -3.007) 3.702 16.626 ( 3.425 -0.722 2.314) 4.196 16.677 ( 4.764 -1.197 -1.268) 5.073 16.930 ( -3.740 0.104 4.854) 6.128 17.073 ( 0.879 -4.807 -1.125) 5.015 21.880 ( -0.850 1.343 -0.753) 1.759 21.908 ( -1.483 1.664 0.434) 2.271 22.198 ( 7.277 -4.435 1.246) 8.613 22.228 ( 8.207 -5.185 0.154) 9.709 22.557 ( 9.419 12.989 -3.564) 16.436 22.698 ( 13.226 14.263 10.954) 22.324 23.181 ( -1.233 2.102 1.996) 3.150 23.219 ( 1.429 3.403 -0.260) 3.701 23.480 ( 0.646 -0.622 -0.305) 0.947 23.522 ( 3.484 -0.192 0.891) 3.601 24.117 ( -3.165 -2.079 -0.395) 3.807 24.127 ( -1.882 -1.912 -0.099) 2.684 24.503 ( -0.883 0.615 -1.378) 1.749 24.610 ( 3.066 0.433 -0.253) 3.107 24.711 ( -2.396 -0.772 0.572) 2.581 24.782 ( 0.437 -0.798 -0.860) 1.252 25.002 ( 1.422 1.606 0.899) 2.325 25.035 ( 3.615 0.735 0.313) 3.702 25.654 ( -13.082 -11.113 -8.656) 19.224 25.862 ( -6.863 -11.137 -0.637) 13.097 ======================= Grid point 154 (67/84) ======================= q-point: ( 0.33 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 11.043 9.295 -5.598) 15.482 1.484 ( 13.472 10.522 -5.983) 18.111 1.601 ( 13.233 8.329 2.479) 15.832 1.634 ( 14.824 9.858 8.199) 19.600 1.937 ( 1.960 9.075 -3.712) 9.999 2.024 ( 1.492 11.525 1.178) 11.680 2.172 ( 2.730 5.468 5.778) 8.410 2.226 ( -11.396 7.268 0.149) 13.517 2.505 ( -5.541 5.938 -5.721) 9.935 2.538 ( 0.115 5.688 -3.892) 6.893 2.971 ( -12.783 -3.211 2.428) 13.402 3.215 ( -11.727 -6.888 -5.040) 14.504 3.349 ( 5.092 -7.985 5.200) 10.804 3.522 ( 10.285 0.898 6.087) 11.985 3.665 ( 0.412 -2.076 3.708) 4.269 3.873 ( -4.338 -3.463 -2.773) 6.205 3.937 ( 11.902 -7.127 -6.317) 15.244 4.040 ( -5.921 -2.266 3.119) 7.065 4.129 ( 3.855 0.402 -1.648) 4.212 4.317 ( -2.729 -2.796 6.287) 7.403 4.327 ( 1.492 2.373 -3.436) 4.434 4.548 ( -3.776 -3.927 -2.160) 5.861 4.647 ( 6.833 1.827 -0.670) 7.105 4.715 ( -5.404 0.498 0.224) 5.432 4.809 ( -6.568 1.520 -0.202) 6.745 4.886 ( -4.455 1.393 -0.805) 4.736 5.009 ( -4.240 -6.491 -1.461) 7.889 5.108 ( -4.383 -5.349 4.562) 8.285 5.219 ( 2.713 -2.947 1.576) 4.304 5.334 ( -0.221 -1.283 -3.925) 4.135 5.380 ( -3.330 -3.688 1.637) 5.231 5.484 ( 0.322 -3.859 0.559) 3.912 5.554 ( 2.324 -9.306 3.344) 10.158 5.754 ( 4.360 -5.908 -3.846) 8.289 5.838 ( 5.464 -2.478 0.861) 6.061 5.865 ( 1.834 -3.570 1.645) 4.337 5.957 ( 3.029 -3.629 1.735) 5.036 6.009 ( -4.478 5.050 2.192) 7.097 6.075 ( -5.226 2.562 -1.809) 6.095 6.149 ( -1.911 4.145 2.664) 5.285 6.174 ( -1.612 2.780 -1.290) 3.463 6.296 ( -4.036 3.023 -6.113) 7.925 6.481 ( -3.639 1.073 -2.716) 4.666 6.582 ( -2.076 0.926 -1.812) 2.907 6.639 ( 4.219 -1.488 0.008) 4.474 6.764 ( 0.790 2.554 1.428) 3.031 6.803 ( 3.947 -3.362 -0.703) 5.232 6.851 ( 6.643 -2.726 2.214) 7.514 7.003 ( -0.854 -4.695 0.033) 4.772 7.108 ( -1.688 1.485 -1.447) 2.674 7.204 ( 0.028 -3.749 6.399) 7.416 7.347 ( 7.319 3.021 7.013) 10.577 7.407 ( -3.694 -6.503 -5.208) 9.113 7.525 ( -1.712 -0.589 -5.117) 5.428 7.836 ( 6.555 6.543 -1.785) 9.432 7.882 ( -12.706 -2.423 0.117) 12.936 7.969 ( -3.032 4.638 -3.493) 6.550 8.009 ( 3.241 5.958 1.512) 6.949 8.208 ( -1.199 6.932 0.438) 7.049 8.461 ( -13.515 10.571 2.792) 17.384 8.652 ( 3.309 3.794 3.133) 5.929 8.764 ( 3.394 4.703 -1.896) 6.102 8.852 ( -3.870 0.903 -4.238) 5.810 9.011 ( -6.995 5.625 2.641) 9.357 9.335 ( 1.295 -3.945 -4.202) 5.908 9.382 ( -1.652 -1.846 1.741) 3.028 9.611 ( 3.883 -7.352 5.841) 10.161 9.622 ( 4.537 -6.937 -3.643) 9.054 9.809 ( -0.711 -1.927 3.063) 3.688 9.862 ( -0.844 -4.698 -3.881) 6.152 9.982 ( 3.592 3.407 2.833) 5.704 10.063 ( 0.027 3.362 0.771) 3.449 10.601 ( 13.511 -3.253 6.638) 15.401 10.874 ( 4.346 -5.201 -6.773) 9.582 11.101 ( 9.172 -3.203 -4.083) 10.538 11.266 ( 0.567 -3.792 3.734) 5.352 13.915 ( 2.176 10.999 -0.209) 11.214 13.944 ( 2.665 12.009 0.690) 12.321 14.033 ( -3.539 16.063 -0.525) 16.457 14.093 ( -4.378 18.491 0.535) 19.009 15.150 ( -3.210 -1.089 0.572) 3.438 15.201 ( -5.318 1.216 0.632) 5.492 15.661 ( 1.855 1.677 1.079) 2.724 15.711 ( -0.455 2.435 -2.892) 3.808 16.710 ( 3.091 -1.312 2.664) 4.286 16.742 ( 2.541 -1.032 -2.296) 3.576 16.907 ( -0.758 0.363 5.097) 5.166 17.030 ( -3.264 -3.042 -3.267) 5.531 21.880 ( 0.579 0.464 -0.422) 0.854 21.894 ( -0.339 1.025 0.299) 1.121 22.282 ( 1.539 -4.450 1.053) 4.825 22.298 ( 0.890 -4.236 -0.605) 4.371 22.824 ( 15.560 5.200 -2.916) 16.663 22.976 ( 7.241 3.791 5.938) 10.102 23.162 ( -1.033 2.659 0.011) 2.853 23.228 ( -2.187 3.939 4.329) 6.249 23.525 ( 4.226 -0.932 0.965) 4.434 23.657 ( 6.946 -1.150 3.509) 7.866 24.016 ( -5.276 -1.323 -1.549) 5.656 24.079 ( -3.063 -1.755 0.095) 3.532 24.515 ( 2.432 0.268 0.739) 2.556 24.649 ( -0.350 -0.725 -2.633) 2.753 24.678 ( 0.468 -0.090 1.503) 1.576 24.766 ( -1.560 -0.607 -0.757) 1.837 25.050 ( 2.597 1.323 2.144) 3.618 25.121 ( 4.039 -0.302 -0.552) 4.087 25.403 ( -5.333 -4.806 -9.148) 11.629 25.662 ( -11.895 -6.355 -0.255) 13.489 ======================= Grid point 155 (68/84) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 2.522 10.142 -6.216) 12.159 1.562 ( -2.522 10.142 6.216) 12.159 1.791 ( -3.700 12.382 -3.780) 13.465 1.791 ( 3.700 12.382 3.780) 13.465 1.947 ( -0.971 10.449 -7.381) 12.830 1.947 ( 0.971 10.449 7.381) 12.830 2.181 ( -0.734 7.266 -4.354) 8.503 2.181 ( 0.734 7.266 4.354) 8.502 2.611 ( -4.473 -3.519 -1.540) 5.896 2.611 ( 4.473 -3.519 1.540) 5.896 2.814 ( -18.540 -3.139 -5.036) 19.466 2.814 ( 18.540 -3.139 5.036) 19.466 3.533 ( -7.387 -7.928 -6.934) 12.865 3.533 ( 7.387 -7.928 6.934) 12.865 3.737 ( -8.496 1.219 -2.893) 9.057 3.737 ( 8.496 1.219 2.893) 9.057 4.068 ( -2.723 -1.100 -1.360) 3.236 4.068 ( 2.723 -1.100 1.360) 3.236 4.255 ( -9.238 -1.947 2.000) 9.650 4.255 ( 9.238 -1.947 -2.000) 9.650 4.396 ( -6.841 -6.463 -6.353) 11.355 4.396 ( 6.841 -6.463 6.353) 11.355 4.677 ( 3.781 3.215 -1.904) 5.316 4.677 ( -3.781 3.215 1.904) 5.316 4.777 ( -1.000 4.552 -1.509) 4.899 4.777 ( 1.000 4.552 1.509) 4.899 5.020 ( 2.079 -7.984 -1.623) 8.408 5.020 ( -2.079 -7.984 1.623) 8.408 5.281 ( -2.649 1.092 -5.776) 6.448 5.281 ( 2.649 1.092 5.776) 6.448 5.429 ( -2.899 -3.213 -3.674) 5.677 5.429 ( 2.899 -3.213 3.674) 5.677 5.699 ( -5.862 -8.276 -9.374) 13.811 5.699 ( 5.862 -8.276 9.374) 13.811 5.921 ( 1.181 0.270 -4.190) 4.362 5.921 ( -1.181 0.270 4.190) 4.362 5.979 ( -2.156 -4.006 -3.585) 5.792 5.979 ( 2.156 -4.006 3.585) 5.792 6.025 ( -3.680 0.074 -4.339) 5.690 6.025 ( 3.680 0.074 4.339) 5.690 6.198 ( -0.253 6.322 -8.199) 10.356 6.198 ( 0.253 6.322 8.199) 10.356 6.503 ( -3.782 1.441 -0.730) 4.113 6.503 ( 3.782 1.441 0.730) 4.113 6.727 ( -3.914 -0.715 0.611) 4.025 6.727 ( 3.914 -0.715 -0.611) 4.025 6.878 ( -1.600 -1.120 -2.301) 3.018 6.878 ( 1.600 -1.120 2.301) 3.018 7.074 ( -0.830 -0.998 -4.584) 4.765 7.074 ( 0.830 -0.998 4.584) 4.765 7.251 ( -4.011 -5.956 -9.308) 11.756 7.251 ( 4.011 -5.956 9.308) 11.756 7.525 ( -4.254 -1.797 -4.696) 6.587 7.525 ( 4.254 -1.797 4.696) 6.587 7.721 ( -1.671 -0.877 -3.944) 4.372 7.721 ( 1.671 -0.877 3.944) 4.372 8.128 ( -8.115 9.782 -1.450) 12.792 8.128 ( 8.115 9.782 1.450) 12.792 8.189 ( -11.435 9.600 0.393) 14.936 8.189 ( 11.435 9.600 -0.393) 14.936 8.751 ( -4.161 2.542 -4.114) 6.379 8.751 ( 4.161 2.542 4.114) 6.379 8.873 ( 0.172 3.523 -3.524) 4.986 8.873 ( -0.172 3.523 3.524) 4.986 9.353 ( 2.823 -2.833 -11.659) 12.326 9.353 ( -2.823 -2.833 11.659) 12.326 9.669 ( 1.700 -9.430 -6.079) 11.348 9.669 ( -1.700 -9.430 6.079) 11.348 9.819 ( -0.732 -2.112 -3.943) 4.533 9.819 ( 0.732 -2.112 3.943) 4.533 10.045 ( -0.256 3.724 -2.736) 4.628 10.045 ( 0.256 3.724 2.736) 4.628 10.813 ( -5.121 -4.492 -6.914) 9.706 10.813 ( 5.121 -4.492 6.914) 9.706 11.243 ( 5.064 -3.842 -3.785) 7.398 11.243 ( -5.064 -3.842 3.785) 7.398 13.967 ( -1.761 12.921 -0.816) 13.066 13.967 ( 1.761 12.921 0.816) 13.066 14.011 ( -2.570 14.770 -1.150) 15.036 14.011 ( 2.570 14.770 1.150) 15.036 15.134 ( -0.367 0.836 -1.124) 1.448 15.134 ( 0.367 0.836 1.124) 1.448 15.692 ( -0.377 1.977 -2.327) 3.076 15.692 ( 0.377 1.977 2.327) 3.076 16.755 ( 0.203 -1.218 -3.430) 3.645 16.755 ( -0.203 -1.218 3.430) 3.645 16.949 ( -2.480 -0.842 -4.530) 5.233 16.949 ( 2.480 -0.842 4.530) 5.233 21.889 ( 0.214 0.789 -0.675) 1.060 21.889 ( -0.214 0.789 0.675) 1.060 22.299 ( -0.160 -3.927 -0.819) 4.015 22.299 ( 0.160 -3.927 0.819) 4.015 23.029 ( -2.731 0.206 -2.848) 3.951 23.029 ( 2.731 0.206 2.848) 3.951 23.173 ( 3.493 4.624 -10.246) 11.772 23.173 ( -3.493 4.624 10.246) 11.772 23.654 ( -6.171 -1.788 -1.666) 6.638 23.654 ( 6.171 -1.788 1.666) 6.638 24.005 ( -3.474 -1.234 -1.028) 3.828 24.005 ( 3.474 -1.234 1.028) 3.828 24.589 ( -3.130 -0.437 -2.644) 4.120 24.589 ( 3.130 -0.437 2.644) 4.120 24.722 ( -1.565 -0.466 -0.937) 1.883 24.722 ( 1.565 -0.466 0.937) 1.883 25.118 ( -2.497 -0.054 -3.560) 4.349 25.118 ( 2.497 -0.054 3.560) 4.349 25.438 ( -4.058 -3.198 -1.957) 5.524 25.438 ( 4.058 -3.198 1.957) 5.524 ======================= Grid point 159 (69/84) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -3.364 18.600 -10.356) 21.553 1.444 ( 3.364 18.600 10.356) 21.553 1.491 ( 4.254 17.424 -11.004) 21.042 1.491 ( -4.254 17.424 11.004) 21.042 1.996 ( -0.323 11.255 -13.101) 17.274 1.996 ( 0.323 11.255 13.101) 17.274 2.686 ( -4.618 10.125 -3.125) 11.558 2.686 ( 4.618 10.125 3.125) 11.558 2.864 ( -3.655 10.346 -1.462) 11.070 2.864 ( 3.655 10.346 1.462) 11.070 3.153 ( 1.325 3.646 -4.741) 6.125 3.153 ( -1.325 3.646 4.741) 6.125 3.369 ( 4.687 4.054 -3.252) 6.998 3.369 ( -4.687 4.054 3.252) 6.998 3.655 ( -14.248 3.740 -3.147) 15.063 3.655 ( 14.248 3.740 3.147) 15.063 3.958 ( -8.287 -7.269 0.370) 11.030 3.958 ( 8.287 -7.269 -0.370) 11.030 4.183 ( -3.901 -7.407 -2.773) 8.819 4.183 ( 3.901 -7.407 2.773) 8.819 4.372 ( -4.287 -10.377 -4.251) 12.006 4.372 ( 4.287 -10.377 4.251) 12.006 4.603 ( -4.302 -8.076 -4.679) 10.277 4.603 ( 4.302 -8.076 4.679) 10.277 4.769 ( -1.470 -6.384 -8.973) 11.111 4.769 ( 1.470 -6.384 8.973) 11.111 4.966 ( -3.375 -12.020 -3.049) 12.852 4.966 ( 3.375 -12.020 3.049) 12.852 5.162 ( 0.668 -3.854 -3.912) 5.532 5.162 ( -0.668 -3.854 3.912) 5.532 5.370 ( 0.686 1.146 -5.919) 6.068 5.370 ( -0.686 1.146 5.919) 6.068 5.587 ( -0.447 -1.672 -3.239) 3.672 5.587 ( 0.447 -1.672 3.239) 3.672 5.762 ( -3.518 -2.350 -4.007) 5.827 5.762 ( 3.518 -2.350 4.007) 5.827 6.016 ( -8.815 4.474 -1.007) 9.937 6.016 ( 8.815 4.474 1.007) 9.937 6.210 ( -3.110 -1.996 -2.516) 4.471 6.210 ( 3.110 -1.996 2.516) 4.471 6.420 ( -3.420 -1.147 -4.759) 5.971 6.420 ( 3.420 -1.147 4.759) 5.971 6.534 ( 3.718 0.331 -3.680) 5.242 6.534 ( -3.718 0.331 3.680) 5.242 6.696 ( -7.282 2.074 -1.324) 7.687 6.696 ( 7.282 2.074 1.324) 7.687 6.736 ( -4.164 1.169 -7.829) 8.944 6.736 ( 4.164 1.169 7.829) 8.944 6.965 ( -5.154 -1.112 0.306) 5.281 6.965 ( 5.154 -1.112 -0.306) 5.281 7.300 ( -3.103 -2.578 -3.229) 5.167 7.300 ( 3.103 -2.578 3.229) 5.167 7.516 ( 0.217 7.811 -2.921) 8.342 7.516 ( -0.217 7.811 2.921) 8.342 7.785 ( -6.490 4.386 -3.716) 8.669 7.785 ( 6.490 4.386 3.716) 8.669 8.284 ( -8.312 -0.349 -3.543) 9.042 8.284 ( 8.312 -0.349 3.543) 9.042 8.472 ( 4.496 4.232 -2.889) 6.817 8.472 ( -4.496 4.232 2.889) 6.817 8.927 ( 2.223 -2.680 -2.447) 4.255 8.927 ( -2.223 -2.680 2.447) 4.255 9.187 ( -0.682 -8.868 -6.145) 10.810 9.187 ( 0.682 -8.868 6.145) 10.810 9.415 ( -16.229 7.292 -1.275) 17.837 9.415 ( 16.229 7.292 1.275) 17.837 9.548 ( 2.442 4.316 -10.870) 11.948 9.548 ( -2.442 4.316 10.870) 11.948 9.734 ( 7.735 -2.500 -5.405) 9.762 9.734 ( -7.735 -2.500 5.405) 9.762 9.934 ( -16.227 -1.058 -3.135) 16.561 9.934 ( 16.227 -1.058 3.135) 16.561 10.136 ( 2.359 4.658 -4.263) 6.741 10.136 ( -2.359 4.658 4.263) 6.741 11.036 ( -2.611 -5.701 -4.237) 7.567 11.036 ( 2.611 -5.701 4.237) 7.567 14.155 ( -0.124 15.825 -1.532) 15.900 14.155 ( 0.124 15.825 1.532) 15.900 14.647 ( 0.245 23.408 -6.396) 24.267 14.647 ( -0.245 23.408 6.396) 24.267 15.254 ( -1.284 -4.850 -0.699) 5.065 15.254 ( 1.284 -4.850 0.699) 5.065 15.789 ( 2.901 6.387 -2.495) 7.445 15.789 ( -2.901 6.387 2.495) 7.445 16.563 ( 1.016 -3.082 -1.674) 3.652 16.563 ( -1.016 -3.082 1.674) 3.652 16.955 ( 2.777 -2.987 -4.568) 6.124 16.955 ( -2.777 -2.987 4.568) 6.124 21.979 ( 0.329 1.064 -2.196) 2.462 21.979 ( -0.329 1.064 2.196) 2.462 22.038 ( 0.731 -1.352 -0.973) 1.819 22.038 ( -0.731 -1.352 0.973) 1.819 22.803 ( -2.181 11.825 -6.394) 13.619 22.803 ( 2.181 11.825 6.394) 13.619 23.274 ( 1.595 5.261 -4.472) 7.087 23.274 ( -1.595 5.261 4.472) 7.087 23.474 ( -0.557 -0.654 -0.552) 1.021 23.474 ( 0.557 -0.654 0.552) 1.021 24.085 ( 0.445 -4.048 -1.599) 4.375 24.085 ( -0.445 -4.048 1.599) 4.375 24.560 ( -0.489 0.412 -2.606) 2.683 24.560 ( 0.489 0.412 2.606) 2.683 24.731 ( -0.442 -1.636 -0.745) 1.851 24.731 ( 0.442 -1.636 0.745) 1.851 25.028 ( 0.291 2.155 -1.223) 2.495 25.028 ( -0.291 2.155 1.223) 2.495 25.576 ( -3.749 -14.041 -5.236) 15.447 25.576 ( 3.749 -14.041 5.236) 15.447 ======================= Grid point 161 (70/84) ======================= q-point: ( 0.17 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 5.947 13.675 -8.367) 17.099 1.476 ( 4.851 12.546 -0.189) 13.453 1.559 ( 7.464 11.934 -8.379) 16.381 1.600 ( 6.053 13.477 13.410) 19.952 2.128 ( 13.247 17.530 -7.944) 23.364 2.197 ( 11.609 18.077 6.059) 22.321 2.476 ( -12.410 10.146 1.437) 16.094 2.670 ( -10.404 10.112 0.956) 14.540 2.791 ( -1.818 10.649 -3.104) 11.240 2.886 ( -3.879 12.201 3.115) 13.176 3.103 ( -5.623 1.297 -0.888) 5.838 3.161 ( 0.767 2.724 4.373) 5.209 3.292 ( -10.453 -4.354 -2.714) 11.644 3.388 ( 2.328 4.428 1.520) 5.228 3.553 ( 8.747 3.033 3.348) 9.844 3.757 ( -6.120 -8.252 -6.727) 12.280 3.822 ( -5.539 -8.502 2.801) 10.527 4.018 ( -3.056 -6.711 0.304) 7.380 4.133 ( 5.265 2.270 0.935) 5.810 4.262 ( -0.140 -5.547 3.705) 6.672 4.296 ( 2.521 -5.204 -2.205) 6.189 4.441 ( -1.028 -10.251 -2.742) 10.661 4.556 ( 3.306 -4.675 1.358) 5.885 4.658 ( 0.339 -8.509 -1.118) 8.589 4.779 ( 4.331 -4.911 -1.979) 6.841 4.842 ( -0.296 -2.686 0.701) 2.791 4.959 ( -0.180 -8.464 -0.238) 8.469 5.071 ( 2.257 -6.957 0.516) 7.332 5.135 ( 1.484 -4.859 -0.583) 5.114 5.144 ( 2.627 -9.171 -0.200) 9.542 5.357 ( -5.172 -0.138 3.850) 6.449 5.423 ( 6.221 -1.292 -1.402) 6.507 5.538 ( -3.442 -2.172 1.407) 4.306 5.556 ( -3.947 -2.391 0.594) 4.653 5.684 ( -4.183 -5.586 -2.418) 7.385 5.800 ( 1.797 2.251 -3.817) 4.782 5.905 ( -0.958 2.259 4.923) 5.500 6.108 ( -2.305 -4.152 -0.770) 4.811 6.184 ( 2.351 2.080 1.625) 3.535 6.268 ( 1.651 4.483 1.389) 4.975 6.330 ( -4.450 2.589 -2.690) 5.809 6.445 ( -7.396 6.196 3.180) 10.159 6.518 ( 1.578 -6.194 -0.874) 6.451 6.556 ( 2.019 -3.372 -0.292) 3.942 6.577 ( 1.224 -3.737 -1.293) 4.140 6.661 ( -3.953 2.343 -3.917) 6.038 6.736 ( -2.211 0.302 0.593) 2.309 6.810 ( 4.404 2.677 1.443) 5.352 6.975 ( 0.131 -1.907 -3.287) 3.802 7.057 ( 5.239 0.371 3.756) 6.457 7.196 ( -3.361 -1.774 -0.529) 3.837 7.350 ( -1.791 -4.483 -0.133) 4.830 7.393 ( -2.417 7.446 6.255) 10.021 7.597 ( -3.983 1.302 -4.310) 6.011 7.809 ( 11.934 8.247 -2.407) 14.705 7.963 ( 8.382 5.819 2.463) 10.497 8.067 ( -9.786 -1.907 -2.427) 10.261 8.261 ( -10.782 4.102 -1.411) 11.622 8.418 ( -3.665 5.448 1.098) 6.657 8.552 ( 5.522 0.856 2.378) 6.072 8.838 ( -5.690 0.123 0.481) 5.712 8.902 ( -3.247 -1.292 -1.044) 3.647 9.061 ( -11.846 7.434 1.803) 14.101 9.200 ( 1.805 -4.794 -9.240) 10.565 9.249 ( 1.427 -7.041 3.359) 7.930 9.368 ( -13.312 8.378 -0.099) 15.729 9.479 ( -5.108 -4.140 7.446) 9.933 9.561 ( -0.335 2.616 -5.688) 6.270 9.752 ( 4.024 -3.023 2.058) 5.438 9.765 ( 2.027 -0.708 1.329) 2.525 9.911 ( 7.307 1.528 3.386) 8.197 10.100 ( 1.748 3.225 1.058) 3.818 10.259 ( 11.724 0.556 -2.135) 11.929 10.465 ( 23.299 -4.247 -2.550) 23.820 10.975 ( -1.014 -5.460 -4.262) 7.000 11.108 ( 2.589 -6.143 3.688) 7.618 14.161 ( 1.532 15.926 -0.942) 16.027 14.185 ( 2.132 16.128 1.351) 16.325 14.546 ( -5.982 21.481 -1.548) 22.352 14.643 ( -4.231 24.039 1.441) 24.451 15.170 ( -3.354 -3.728 0.840) 5.084 15.291 ( -0.845 -1.352 -0.586) 1.699 15.724 ( -2.341 7.071 2.822) 7.965 15.812 ( -0.186 5.396 -2.735) 6.053 16.589 ( 2.895 -3.273 1.435) 4.599 16.629 ( 4.383 -3.862 -0.569) 5.870 16.920 ( -2.655 -1.392 4.880) 5.727 16.975 ( 1.044 -4.787 -4.300) 6.518 21.911 ( -2.173 1.435 -1.109) 2.830 21.933 ( -1.961 0.833 0.392) 2.166 22.121 ( 4.653 -3.420 0.693) 5.816 22.145 ( 5.190 -3.366 0.390) 6.198 22.803 ( 4.801 10.325 -4.266) 12.160 22.925 ( 5.944 7.680 6.095) 11.466 23.252 ( -1.243 4.756 2.865) 5.690 23.321 ( 1.844 6.321 1.239) 6.700 23.466 ( 0.447 -0.567 -0.501) 0.879 23.509 ( 3.233 -1.220 1.355) 3.712 24.056 ( -2.755 -4.046 -1.199) 5.040 24.069 ( -1.641 -3.745 0.326) 4.102 24.514 ( -1.363 0.519 -0.187) 1.470 24.614 ( 2.650 -0.098 -1.202) 2.912 24.688 ( -2.236 -1.488 0.476) 2.728 24.757 ( 0.579 -1.754 -1.011) 2.105 25.045 ( 1.457 2.437 1.053) 3.029 25.056 ( 2.501 1.344 0.653) 2.914 25.425 ( -6.848 -10.072 -6.929) 14.012 25.608 ( -2.586 -12.530 1.470) 12.878 ======================= Grid point 162 (71/84) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 13.457 7.871 -4.043) 16.106 1.688 ( 18.501 7.063 -5.079) 20.444 1.757 ( 12.584 9.687 2.698) 16.109 1.832 ( 13.722 7.995 7.125) 17.406 2.121 ( -10.571 9.921 -1.482) 14.573 2.354 ( -4.537 18.632 4.253) 19.642 2.405 ( -6.636 12.785 -1.765) 14.512 2.472 ( 5.314 20.067 2.547) 20.915 2.680 ( -14.424 5.500 -2.146) 15.586 2.719 ( -2.093 12.274 -5.101) 13.455 2.877 ( -17.184 -4.733 2.278) 17.969 3.071 ( -8.950 -2.963 -3.716) 10.133 3.251 ( 5.407 -0.717 4.752) 7.234 3.547 ( 7.985 -0.457 -1.368) 8.114 3.558 ( -4.429 -4.785 -3.037) 7.193 3.754 ( 5.633 -9.667 -0.789) 11.217 3.861 ( 7.547 0.064 5.648) 9.427 3.966 ( -0.741 -1.819 1.279) 2.343 4.138 ( -0.169 -1.789 -5.760) 6.034 4.284 ( -1.509 1.268 5.364) 5.714 4.321 ( -0.839 -5.520 -0.131) 5.585 4.466 ( -1.385 -4.695 -2.782) 5.630 4.616 ( 2.242 -4.700 4.208) 6.695 4.652 ( 0.748 -6.974 -0.461) 7.029 4.791 ( -0.250 -1.760 -2.504) 3.071 4.823 ( 0.289 -0.948 -1.762) 2.021 4.908 ( -5.329 -9.595 2.578) 11.274 5.051 ( -4.266 1.664 -1.099) 4.709 5.191 ( 3.267 -0.500 2.426) 4.100 5.275 ( 4.516 -4.934 -5.295) 8.531 5.314 ( -2.562 -8.281 3.907) 9.508 5.337 ( 0.438 -1.477 3.965) 4.254 5.454 ( -2.284 -2.706 -3.985) 5.331 5.636 ( 5.124 -5.656 -0.952) 7.691 5.716 ( 5.628 -6.292 4.812) 9.717 5.826 ( 0.890 -2.092 -2.885) 3.673 5.930 ( 1.243 0.716 2.757) 3.108 6.038 ( -3.289 -1.335 -1.079) 3.710 6.179 ( -4.962 4.754 -1.880) 7.124 6.205 ( -10.170 4.194 -0.385) 11.007 6.259 ( 0.367 4.861 4.128) 6.388 6.358 ( -1.705 2.317 -3.069) 4.206 6.493 ( -1.802 -0.681 -4.245) 4.662 6.552 ( 0.668 -3.148 0.430) 3.247 6.599 ( 2.331 -2.966 -1.166) 3.948 6.687 ( 4.985 -5.710 1.797) 7.790 6.764 ( 2.519 -1.379 -1.339) 3.168 6.883 ( 1.741 3.302 4.414) 5.781 6.899 ( -3.274 -4.794 -3.441) 6.748 7.136 ( -0.218 -0.190 -2.993) 3.007 7.168 ( 1.176 1.077 5.410) 5.641 7.266 ( -6.335 -6.006 -3.077) 9.256 7.436 ( 1.898 3.832 5.357) 6.854 7.509 ( -0.827 0.510 -1.485) 1.775 7.808 ( -11.430 -3.679 0.889) 12.040 7.911 ( -8.798 0.339 -3.811) 9.594 8.129 ( 7.926 11.129 -2.160) 13.833 8.182 ( 8.658 8.236 1.831) 12.088 8.372 ( -0.059 8.330 2.036) 8.575 8.654 ( -2.230 5.609 2.980) 6.732 8.737 ( -1.999 3.846 0.030) 4.335 8.834 ( -0.255 3.210 0.977) 3.365 8.912 ( -4.083 5.588 -2.358) 7.311 9.128 ( -9.867 3.355 -1.181) 10.488 9.207 ( 2.913 -7.896 -9.012) 12.331 9.270 ( -2.192 -8.317 4.275) 9.605 9.483 ( 0.157 -4.831 6.527) 8.122 9.526 ( -0.467 -1.806 -3.325) 3.813 9.789 ( 1.488 -0.623 -0.442) 1.673 9.808 ( 1.297 1.569 0.770) 2.176 10.039 ( 3.744 2.287 2.320) 4.963 10.127 ( 0.090 2.985 0.299) 3.001 10.515 ( 11.470 -4.771 2.932) 12.764 10.743 ( 4.362 -7.255 -3.891) 9.317 11.008 ( 7.359 -5.854 -3.589) 10.065 11.158 ( 0.391 -6.680 3.166) 7.403 14.207 ( 3.497 16.431 -0.715) 16.815 14.252 ( 3.900 16.731 1.522) 17.247 14.417 ( -5.874 19.858 -1.539) 20.766 14.516 ( -7.993 21.240 1.007) 22.717 15.145 ( 0.336 1.298 0.383) 1.394 15.237 ( -3.571 2.925 0.271) 4.624 15.729 ( 0.780 5.389 2.734) 6.093 15.785 ( -0.628 5.137 -3.319) 6.148 16.659 ( 2.979 -3.936 1.363) 5.121 16.695 ( 2.228 -3.997 -0.845) 4.653 16.902 ( -1.353 -1.340 4.919) 5.275 16.954 ( -0.804 -4.357 -4.508) 6.321 21.894 ( 0.502 0.915 -0.677) 1.244 21.915 ( -0.398 0.914 0.286) 1.037 22.186 ( 1.619 -4.774 0.840) 5.111 22.205 ( 1.114 -4.613 -0.277) 4.754 22.929 ( 7.768 4.743 -1.162) 9.175 23.038 ( 3.017 2.295 0.887) 3.893 23.249 ( 0.081 5.452 1.553) 5.669 23.325 ( -2.110 5.083 2.279) 5.957 23.503 ( 3.715 -1.044 0.123) 3.861 23.618 ( 4.255 -2.671 3.242) 5.979 23.974 ( -3.416 -2.845 -2.182) 4.952 24.027 ( -2.836 -3.347 0.578) 4.425 24.518 ( 1.454 0.030 1.568) 2.139 24.626 ( -1.311 -1.542 -2.425) 3.159 24.672 ( 1.054 -0.650 0.595) 1.374 24.744 ( -1.221 -1.611 -1.351) 2.431 25.086 ( 1.735 1.990 1.799) 3.195 25.118 ( 2.680 0.033 -0.254) 2.692 25.302 ( -1.390 -4.481 -4.358) 6.403 25.507 ( -7.142 -8.147 -0.277) 10.838 ======================= Grid point 163 (72/84) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -5.499 13.515 -1.576) 14.676 1.829 ( 5.499 13.515 1.576) 14.676 2.012 ( 2.076 6.158 -4.435) 7.868 2.012 ( -2.076 6.158 4.435) 7.868 2.158 ( -5.947 9.925 -7.918) 14.021 2.158 ( 5.947 9.925 7.918) 14.021 2.329 ( -2.827 1.767 -0.969) 3.472 2.329 ( 2.827 1.767 0.969) 3.472 2.592 ( 3.015 5.859 -3.430) 7.429 2.592 ( -3.015 5.859 3.430) 7.429 2.855 ( -9.719 10.974 -1.818) 14.771 2.855 ( 9.719 10.974 1.818) 14.771 3.403 ( -6.794 -3.902 -5.899) 9.807 3.403 ( 6.794 -3.902 5.899) 9.807 3.723 ( -5.004 -2.909 0.699) 5.830 3.723 ( 5.004 -2.909 -0.699) 5.830 4.019 ( 3.553 -2.142 -5.638) 7.000 4.019 ( -3.553 -2.142 5.638) 7.000 4.190 ( -8.825 -7.177 -4.460) 12.219 4.190 ( 8.825 -7.177 4.460) 12.219 4.329 ( -1.213 1.187 -8.115) 8.290 4.329 ( 1.213 1.187 8.115) 8.290 4.684 ( 0.575 -2.509 -2.615) 3.669 4.684 ( -0.575 -2.509 2.615) 3.669 4.804 ( 0.919 -4.340 -4.178) 6.094 4.804 ( -0.919 -4.340 4.178) 6.094 4.879 ( -4.531 -1.746 -1.931) 5.225 4.879 ( 4.531 -1.746 1.931) 5.225 5.279 ( -2.053 -1.474 -4.287) 4.977 5.279 ( 2.053 -1.474 4.287) 4.977 5.354 ( -4.342 -4.380 -4.826) 7.832 5.354 ( 4.342 -4.380 4.826) 7.832 5.566 ( -9.780 -4.956 -9.575) 14.556 5.566 ( 9.780 -4.956 9.575) 14.556 5.823 ( -3.178 -6.982 -4.891) 9.098 5.823 ( 3.178 -6.982 4.891) 9.098 5.964 ( -4.783 1.028 -1.939) 5.263 5.964 ( 4.783 1.028 1.939) 5.263 6.073 ( -0.999 4.726 -4.415) 6.544 6.073 ( 0.999 4.726 4.415) 6.544 6.321 ( -1.198 5.175 -6.900) 8.708 6.321 ( 1.198 5.175 6.900) 8.708 6.505 ( -3.132 -1.580 0.032) 3.508 6.505 ( 3.132 -1.580 -0.032) 3.508 6.684 ( -3.332 -3.403 -0.358) 4.776 6.684 ( 3.332 -3.403 0.358) 4.776 6.830 ( -2.103 -4.098 -1.315) 4.790 6.830 ( 2.103 -4.098 1.315) 4.790 7.018 ( -8.626 -3.587 -6.783) 11.545 7.018 ( 8.626 -3.587 6.783) 11.545 7.189 ( 2.044 0.484 -4.595) 5.052 7.189 ( -2.044 0.484 4.595) 5.052 7.498 ( 0.740 -1.044 -6.575) 6.699 7.498 ( -0.740 -1.044 6.575) 6.699 7.720 ( -3.915 0.656 -6.151) 7.320 7.720 ( 3.915 0.656 6.151) 7.320 8.282 ( -0.192 5.896 -0.725) 5.943 8.282 ( 0.192 5.896 0.725) 5.943 8.451 ( -9.759 13.582 0.492) 16.732 8.451 ( 9.759 13.582 -0.492) 16.732 8.826 ( -3.552 4.517 -2.936) 6.453 8.826 ( 3.552 4.517 2.936) 6.453 8.931 ( -5.208 1.381 -3.875) 6.637 8.931 ( 5.208 1.381 3.875) 6.637 9.235 ( 3.316 -8.486 -8.735) 12.622 9.235 ( -3.316 -8.486 8.735) 12.622 9.508 ( 0.553 -5.217 -5.525) 7.619 9.508 ( -0.553 -5.217 5.525) 7.619 9.815 ( 1.218 2.178 -6.188) 6.672 9.815 ( -1.218 2.178 6.188) 6.672 10.103 ( -1.206 2.180 -1.658) 2.993 10.103 ( 1.206 2.180 1.658) 2.993 10.696 ( -4.478 -6.539 -4.767) 9.248 10.696 ( 4.478 -6.539 4.767) 9.248 11.133 ( 4.671 -6.832 -3.130) 8.848 11.133 ( -4.671 -6.832 3.130) 8.848 14.288 ( -0.540 17.073 -1.479) 17.146 14.288 ( 0.540 17.073 1.479) 17.146 14.375 ( -2.511 19.256 -0.799) 19.436 14.375 ( 2.511 19.256 0.799) 19.436 15.175 ( -0.845 3.888 -1.164) 4.145 15.175 ( 0.845 3.888 1.164) 4.145 15.759 ( -0.388 4.869 -3.659) 6.103 15.759 ( 0.388 4.869 3.659) 6.103 16.704 ( -0.012 -4.068 -2.476) 4.762 16.704 ( 0.012 -4.068 2.476) 4.762 16.916 ( -0.480 -2.624 -4.766) 5.462 16.916 ( 0.480 -2.624 4.766) 5.462 21.907 ( 0.240 0.899 -0.727) 1.181 21.907 ( -0.240 0.899 0.727) 1.181 22.206 ( -0.230 -4.882 -0.883) 4.967 22.206 ( 0.230 -4.882 0.883) 4.967 23.041 ( -2.082 1.066 -1.756) 2.925 23.041 ( 2.082 1.066 1.756) 2.925 23.279 ( 1.528 5.415 -6.066) 8.274 23.279 ( -1.528 5.415 6.066) 8.274 23.606 ( -2.663 -2.754 -2.498) 4.573 23.606 ( 2.663 -2.754 2.498) 4.573 23.967 ( -1.218 -2.577 -0.770) 2.952 23.967 ( 1.218 -2.577 0.770) 2.952 24.573 ( -2.162 -1.062 -3.028) 3.869 24.573 ( 2.162 -1.062 3.028) 3.869 24.705 ( -1.372 -1.176 -1.052) 2.091 24.705 ( 1.372 -1.176 1.052) 2.091 25.123 ( -0.921 0.615 -2.246) 2.504 25.123 ( 0.921 0.615 2.246) 2.504 25.358 ( -2.867 -4.222 -3.599) 6.245 25.358 ( 2.867 -4.222 3.599) 6.245 ======================= Grid point 167 (73/84) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 2.644 14.346 -10.288) 17.850 1.739 ( -2.644 14.346 10.288) 17.850 1.928 ( 1.794 22.314 -10.772) 24.842 1.928 ( -1.794 22.314 10.772) 24.842 2.251 ( -3.119 12.660 -3.804) 13.582 2.251 ( 3.119 12.660 3.804) 13.582 2.868 ( -6.497 6.389 -4.711) 10.258 2.868 ( 6.497 6.389 4.711) 10.258 2.981 ( 3.957 0.000 -3.777) 5.470 2.981 ( -3.957 0.000 3.777) 5.470 3.222 ( 0.616 2.308 -3.435) 4.184 3.222 ( -0.616 2.308 3.435) 4.184 3.483 ( 7.354 5.812 -5.415) 10.825 3.483 ( -7.354 5.812 5.415) 10.825 3.656 ( -1.708 -8.001 -7.118) 10.845 3.656 ( 1.708 -8.001 7.118) 10.845 3.814 ( -5.889 -4.060 -5.334) 8.923 3.814 ( 5.889 -4.060 5.334) 8.923 4.091 ( 0.177 -1.549 -3.373) 3.715 4.091 ( -0.177 -1.549 3.373) 3.715 4.212 ( -6.021 -1.204 -0.810) 6.194 4.212 ( 6.021 -1.204 0.810) 6.194 4.430 ( -7.878 -6.189 -1.381) 10.113 4.430 ( 7.878 -6.189 1.381) 10.113 4.657 ( -2.761 -5.030 -3.939) 6.960 4.657 ( 2.761 -5.030 3.939) 6.960 4.801 ( -1.207 -5.117 -2.691) 5.906 4.801 ( 1.207 -5.117 2.691) 5.906 5.080 ( 0.672 -3.761 -2.902) 4.797 5.080 ( -0.672 -3.761 2.902) 4.797 5.397 ( 0.427 1.118 -7.652) 7.745 5.397 ( -0.427 1.118 7.652) 7.745 5.539 ( -3.171 -3.487 -5.036) 6.898 5.539 ( 3.171 -3.487 5.036) 6.898 5.716 ( -6.413 -1.406 -4.909) 8.198 5.716 ( 6.413 -1.406 4.909) 8.198 6.053 ( -3.609 -6.488 -1.944) 7.674 6.053 ( 3.609 -6.488 1.944) 7.674 6.169 ( -1.704 4.734 -4.004) 6.430 6.169 ( 1.704 4.734 4.004) 6.430 6.380 ( 1.451 -6.585 -5.737) 8.854 6.380 ( -1.451 -6.585 5.737) 8.854 6.471 ( -1.857 -1.753 -1.145) 2.798 6.471 ( 1.857 -1.753 1.145) 2.798 6.707 ( 1.518 0.267 -1.165) 1.932 6.707 ( -1.518 0.267 1.165) 1.932 6.841 ( 2.316 5.916 -5.919) 8.683 6.841 ( -2.316 5.916 5.919) 8.683 6.957 ( -1.712 0.343 -0.733) 1.893 6.957 ( 1.712 0.343 0.733) 1.893 7.254 ( -1.849 -1.505 -3.290) 4.063 7.254 ( 1.849 -1.505 3.290) 4.063 7.689 ( 2.058 8.274 -4.166) 9.489 7.689 ( -2.058 8.274 4.166) 9.489 7.889 ( -7.532 5.261 -4.225) 10.112 7.889 ( 7.532 5.261 4.225) 10.112 8.256 ( -11.582 -2.091 -2.111) 11.957 8.256 ( 11.582 -2.091 2.111) 11.957 8.562 ( 4.970 3.728 -2.915) 6.863 8.562 ( -4.970 3.728 2.915) 6.863 8.866 ( -1.818 -3.507 -2.192) 4.518 8.866 ( 1.818 -3.507 2.192) 4.518 9.007 ( 1.675 -7.601 -3.418) 8.501 9.007 ( -1.675 -7.601 3.418) 8.501 9.478 ( 0.993 -5.164 -4.132) 6.688 9.478 ( -0.993 -5.164 4.132) 6.688 9.558 ( -3.902 4.441 0.884) 5.978 9.558 ( 3.902 4.441 -0.884) 5.978 9.746 ( -7.982 1.712 -4.311) 9.232 9.746 ( 7.982 1.712 4.311) 9.232 9.952 ( -13.646 1.950 -0.378) 13.790 9.952 ( 13.646 1.950 0.378) 13.790 10.243 ( 2.937 6.020 -3.081) 7.373 10.243 ( -2.937 6.020 3.081) 7.373 10.900 ( -2.329 -7.572 -4.028) 8.887 10.900 ( 2.329 -7.572 4.028) 8.887 14.468 ( 0.024 14.242 -1.835) 14.359 14.468 ( -0.024 14.242 1.835) 14.359 15.039 ( -6.265 7.974 -1.292) 10.222 15.039 ( 6.265 7.974 1.292) 10.222 15.221 ( -3.125 8.976 -3.601) 10.164 15.221 ( 3.125 8.976 3.601) 10.164 15.966 ( 1.589 11.009 -2.271) 11.352 15.966 ( -1.589 11.009 2.271) 11.352 16.459 ( 0.393 -7.400 -1.329) 7.529 16.459 ( -0.393 -7.400 1.329) 7.529 16.873 ( 1.285 -5.470 -4.374) 7.121 16.873 ( -1.285 -5.470 4.374) 7.121 21.985 ( 0.908 -0.315 -1.150) 1.498 21.985 ( -0.908 -0.315 1.150) 1.498 22.012 ( -1.785 -1.051 -0.274) 2.089 22.012 ( 1.785 -1.051 0.274) 2.089 22.978 ( -1.236 6.063 -3.329) 7.026 22.978 ( 1.236 6.063 3.329) 7.026 23.375 ( -0.798 2.933 -2.732) 4.087 23.375 ( 0.798 2.933 2.732) 4.087 23.478 ( 0.875 2.375 -1.942) 3.190 23.478 ( -0.875 2.375 1.942) 3.190 23.985 ( 0.246 -5.729 -2.413) 6.221 23.985 ( -0.246 -5.729 2.413) 6.221 24.566 ( -0.771 0.284 -1.608) 1.806 24.566 ( 0.771 0.284 1.608) 1.806 24.691 ( -0.387 -2.285 -1.232) 2.625 24.691 ( 0.387 -2.285 1.232) 2.625 25.072 ( 0.379 2.045 -0.818) 2.235 25.072 ( -0.379 2.045 0.818) 2.235 25.350 ( -2.301 -8.260 -3.745) 9.357 25.350 ( 2.301 -8.260 3.745) 9.357 ======================= Grid point 169 (74/84) ======================= q-point: ( 0.17 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -6.632 13.296 2.995) 15.157 1.737 ( -3.270 13.905 -4.054) 14.849 1.804 ( 4.344 13.937 -4.101) 15.163 1.894 ( 3.329 15.268 3.602) 16.037 2.447 ( 8.403 11.388 -4.119) 14.739 2.531 ( 12.778 10.162 2.637) 16.538 2.695 ( -2.131 11.642 -0.329) 11.840 2.836 ( -9.673 4.562 4.018) 11.424 2.980 ( 1.866 6.199 -0.770) 6.519 2.990 ( -4.359 0.898 -2.890) 5.306 3.157 ( -11.598 -3.465 1.832) 12.243 3.207 ( -7.479 5.725 4.165) 10.298 3.292 ( -5.297 5.039 3.120) 7.949 3.430 ( -4.157 -8.451 -3.212) 9.950 3.595 ( -0.603 2.019 -0.843) 2.269 3.643 ( -4.200 -2.284 0.881) 4.861 3.710 ( 2.492 3.216 -4.120) 5.790 3.915 ( 5.237 -4.410 -1.348) 6.978 4.146 ( 0.263 -2.475 4.997) 5.583 4.175 ( 2.779 -2.734 -3.410) 5.179 4.231 ( 8.616 -2.183 0.550) 8.906 4.294 ( -0.389 2.831 -1.607) 3.278 4.341 ( 2.338 -7.866 1.461) 8.335 4.572 ( 2.081 -4.881 -0.476) 5.328 4.654 ( 6.190 -7.441 -1.801) 9.845 4.791 ( 4.016 -2.581 -0.557) 4.807 4.823 ( 4.921 -7.433 0.435) 8.925 4.890 ( 5.501 -6.168 4.060) 9.208 5.052 ( -1.170 -3.953 -0.998) 4.242 5.063 ( -0.559 0.514 0.762) 1.076 5.333 ( -4.799 -1.729 1.006) 5.200 5.406 ( 0.156 -2.253 -2.199) 3.152 5.481 ( -2.415 -2.782 1.030) 3.826 5.539 ( -3.896 0.290 4.885) 6.255 5.593 ( -2.830 -2.998 -3.312) 5.289 5.814 ( 0.961 -1.379 -2.922) 3.371 5.965 ( -3.226 -2.822 1.074) 4.419 6.032 ( -1.823 4.543 -0.208) 4.900 6.172 ( 2.817 -7.074 1.097) 7.693 6.290 ( 3.474 0.262 1.051) 3.639 6.345 ( -0.352 -5.412 0.371) 5.437 6.406 ( 1.933 -0.055 -5.226) 5.572 6.454 ( -0.138 -5.458 1.950) 5.798 6.488 ( 0.042 -1.456 -0.078) 1.459 6.604 ( -7.012 5.049 3.793) 9.436 6.715 ( -6.506 1.755 -4.036) 7.854 6.764 ( -1.963 3.071 0.532) 3.683 6.844 ( 2.816 1.913 1.888) 3.894 6.971 ( -0.084 -0.155 -5.416) 5.419 7.049 ( 5.091 -0.238 0.146) 5.098 7.186 ( -1.690 0.730 2.557) 3.151 7.291 ( -1.741 -1.605 0.014) 2.368 7.537 ( -4.854 6.639 6.131) 10.258 7.633 ( -8.769 1.883 -3.272) 9.547 7.899 ( -1.921 -1.349 -2.975) 3.789 8.037 ( 0.362 2.681 0.719) 2.799 8.116 ( 5.270 5.378 1.963) 7.781 8.355 ( -6.575 4.801 -3.575) 8.892 8.482 ( 6.978 -0.159 4.255) 8.175 8.575 ( -3.237 2.672 -0.921) 4.298 8.835 ( -1.496 -0.245 -1.148) 1.902 8.858 ( -0.446 -2.755 -0.470) 2.830 9.015 ( 1.862 -4.030 0.704) 4.495 9.066 ( 1.789 -8.467 0.144) 8.655 9.299 ( -11.632 -3.778 0.525) 12.241 9.347 ( -7.780 4.898 -0.494) 9.207 9.490 ( -6.797 -1.134 0.759) 6.933 9.608 ( -3.097 1.717 -3.925) 5.286 9.723 ( 7.557 3.503 -0.436) 8.341 9.801 ( 1.180 2.157 0.466) 2.503 9.963 ( 8.085 2.661 6.500) 10.710 10.157 ( 2.067 1.900 0.096) 2.809 10.301 ( 5.914 4.005 -0.851) 7.193 10.393 ( 15.296 -2.129 -1.841) 15.553 10.845 ( -0.851 -7.337 -4.125) 8.460 10.963 ( 2.095 -7.995 3.327) 8.909 14.476 ( 1.631 14.239 -1.090) 14.373 14.498 ( 2.084 13.881 1.453) 14.111 14.895 ( -7.168 10.215 -1.052) 12.523 15.041 ( -9.430 4.073 0.221) 10.274 15.171 ( 5.291 14.901 0.636) 15.825 15.332 ( 3.543 8.093 -0.214) 8.837 15.914 ( -3.105 11.466 2.328) 12.105 15.966 ( -1.019 9.832 -2.057) 10.096 16.484 ( 2.600 -7.222 0.523) 7.693 16.510 ( 3.625 -8.016 0.018) 8.798 16.859 ( -1.985 -4.916 4.291) 6.820 16.868 ( 0.317 -6.213 -4.443) 7.644 21.936 ( -2.073 1.091 -1.011) 2.551 21.943 ( -1.541 0.292 0.327) 1.603 22.057 ( 2.656 -2.912 0.470) 3.970 22.083 ( 2.924 -2.835 0.333) 4.087 22.966 ( 1.637 6.118 -2.155) 6.689 23.034 ( 2.602 3.868 1.972) 5.062 23.342 ( -0.885 2.791 1.524) 3.301 23.451 ( -0.868 5.705 2.657) 6.352 23.468 ( 4.010 -1.155 0.445) 4.197 23.483 ( 0.426 2.071 -0.984) 2.332 23.956 ( -1.912 -5.709 -2.612) 6.563 23.977 ( -1.396 -5.234 1.342) 5.581 24.527 ( -1.348 0.840 0.029) 1.589 24.605 ( 1.487 -0.680 -0.985) 1.909 24.653 ( -1.651 -1.767 0.219) 2.428 24.712 ( 0.418 -2.604 -0.649) 2.716 25.085 ( 1.235 1.506 1.311) 2.348 25.092 ( 1.529 1.980 0.275) 2.516 25.271 ( -2.787 -5.189 -3.286) 6.744 25.391 ( -0.025 -8.532 1.004) 8.591 ======================= Grid point 170 (75/84) ======================= q-point: ( 0.33 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 7.166 2.399 2.136) 7.853 1.795 ( 10.240 2.444 -1.683) 10.661 1.937 ( 8.895 10.487 0.888) 13.780 2.062 ( 10.820 12.325 -0.166) 16.401 2.295 ( -12.051 5.783 -0.415) 13.374 2.526 ( -15.148 -3.681 0.261) 15.591 2.598 ( -16.587 -8.830 -1.213) 18.830 2.691 ( -17.425 5.494 -3.935) 18.690 2.839 ( 1.816 21.591 2.656) 21.829 2.927 ( -3.400 15.416 3.425) 16.154 3.043 ( 6.441 13.362 -2.266) 15.006 3.155 ( -1.529 3.154 3.035) 4.636 3.312 ( 2.979 4.955 1.448) 5.960 3.444 ( 5.269 -2.430 -4.841) 7.557 3.555 ( -0.131 -3.602 1.183) 3.793 3.655 ( 3.478 5.574 -0.971) 6.641 3.805 ( 7.453 -6.400 -1.152) 9.891 3.994 ( 0.109 3.413 -1.866) 3.891 4.105 ( -3.889 -0.053 6.961) 7.974 4.176 ( -3.616 -5.321 -1.691) 6.651 4.265 ( 3.349 -5.098 -3.885) 7.232 4.369 ( 0.346 -4.452 -3.699) 5.798 4.497 ( 10.763 -2.704 3.450) 11.621 4.584 ( 0.150 -0.397 4.403) 4.423 4.730 ( 1.871 -5.016 -0.306) 5.362 4.786 ( -3.078 -3.233 -0.668) 4.513 4.815 ( -2.640 0.944 0.984) 2.971 5.057 ( 3.961 -2.448 1.036) 4.770 5.076 ( 4.993 -8.553 -1.986) 10.101 5.148 ( 7.944 -4.353 -3.569) 9.736 5.264 ( -3.872 0.993 2.957) 4.972 5.326 ( -4.546 -1.827 0.512) 4.927 5.387 ( -5.075 -2.941 -0.034) 5.866 5.521 ( 0.109 -4.935 2.188) 5.399 5.664 ( 9.024 1.040 1.117) 9.152 5.754 ( -3.499 -4.740 -3.787) 7.003 5.948 ( -0.691 0.736 3.141) 3.299 6.051 ( 3.609 2.397 0.657) 4.382 6.214 ( -12.307 -2.261 0.382) 12.518 6.233 ( 4.253 -3.536 -1.291) 5.680 6.342 ( -5.344 1.817 -0.423) 5.660 6.399 ( 1.342 4.158 3.437) 5.559 6.448 ( 0.046 -3.528 -3.183) 4.751 6.500 ( 3.103 -3.018 -1.723) 4.659 6.555 ( -4.279 -0.176 -4.147) 5.961 6.594 ( 2.610 -2.193 4.462) 5.615 6.753 ( -0.452 0.693 0.214) 0.855 6.826 ( -6.290 -2.514 -6.469) 9.367 6.928 ( 0.675 1.263 2.163) 2.594 7.130 ( 1.746 0.309 -1.905) 2.602 7.173 ( -5.160 -1.300 -3.782) 6.528 7.221 ( 0.515 1.759 6.044) 6.316 7.478 ( -3.094 0.806 -0.852) 3.309 7.551 ( -1.033 2.809 6.042) 6.743 7.739 ( -8.099 -3.591 1.114) 8.929 7.891 ( -9.934 -2.356 -3.764) 10.882 8.303 ( 7.890 5.343 0.572) 9.546 8.336 ( 2.292 7.002 -1.529) 7.525 8.533 ( 3.257 7.193 2.858) 8.398 8.659 ( 7.868 -3.313 0.627) 8.560 8.787 ( -2.826 0.805 -1.310) 3.218 8.890 ( 2.596 0.698 0.436) 2.724 9.002 ( -5.680 -0.531 2.491) 6.225 9.061 ( -5.653 -8.415 1.279) 10.218 9.089 ( -2.028 -1.330 -4.789) 5.368 9.214 ( -5.815 6.343 -1.041) 8.668 9.426 ( -0.005 -2.358 -0.583) 2.429 9.521 ( -3.594 0.673 -1.351) 3.898 9.840 ( 5.302 5.657 -3.461) 8.491 9.871 ( 2.308 3.672 5.443) 6.959 10.082 ( 2.629 2.074 2.141) 3.974 10.178 ( -0.518 1.645 1.471) 2.267 10.437 ( 7.939 -1.877 -0.491) 8.173 10.601 ( 3.680 -6.319 -1.791) 7.529 10.870 ( 5.865 -7.715 -3.317) 10.243 11.002 ( 0.015 -8.558 2.723) 8.981 14.523 ( 3.581 13.779 -1.028) 14.274 14.563 ( 3.604 13.117 1.840) 13.727 14.755 ( -6.131 11.656 -1.166) 13.221 14.854 ( -8.926 9.425 0.086) 12.981 15.267 ( 3.908 12.882 0.591) 13.474 15.361 ( -0.284 10.545 -0.257) 10.552 15.887 ( -0.777 10.130 2.753) 10.526 15.929 ( -1.232 9.145 -2.650) 9.601 16.544 ( 2.766 -7.572 0.395) 8.071 16.571 ( 2.038 -8.246 0.078) 8.494 16.839 ( -1.850 -5.065 4.249) 6.865 16.848 ( -0.057 -6.408 -4.410) 7.779 21.915 ( 0.183 1.091 -0.757) 1.340 21.929 ( -0.299 0.570 0.363) 0.739 22.095 ( 1.020 -4.125 0.570) 4.287 22.116 ( 0.457 -4.143 -0.106) 4.170 23.015 ( 3.361 3.817 -0.348) 5.098 23.080 ( 1.124 1.979 0.100) 2.278 23.347 ( 0.419 3.119 1.981) 3.719 23.415 ( -2.210 3.176 0.126) 3.871 23.501 ( 2.292 1.409 -0.936) 2.849 23.565 ( 2.577 -1.555 2.528) 3.930 23.900 ( -1.554 -4.483 -2.792) 5.505 23.945 ( -2.430 -4.704 1.174) 5.423 24.522 ( 0.585 0.546 1.285) 1.514 24.594 ( -1.425 -1.419 -1.723) 2.648 24.651 ( 0.907 -1.277 0.122) 1.571 24.701 ( -0.964 -2.469 -0.922) 2.806 25.120 ( 1.364 1.028 0.789) 1.882 25.126 ( 1.449 1.023 0.504) 1.844 25.233 ( 0.446 -2.328 -0.943) 2.551 25.358 ( -3.111 -6.194 -0.774) 6.975 ======================= Grid point 171 (76/84) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -7.042 -4.116 -4.788) 9.458 1.911 ( 7.042 -4.116 4.788) 9.458 2.155 ( -7.439 6.708 -2.632) 10.356 2.155 ( 7.439 6.708 2.632) 10.356 2.200 ( -13.758 -7.163 1.022) 15.544 2.200 ( 13.758 -7.163 -1.022) 15.545 2.381 ( -9.747 11.140 -0.874) 14.828 2.381 ( 9.747 11.140 0.874) 14.828 2.886 ( -1.912 18.530 -1.484) 18.688 2.886 ( 1.912 18.530 1.484) 18.688 3.124 ( 2.057 8.290 -4.873) 9.834 3.124 ( -2.057 8.290 4.873) 9.834 3.405 ( -4.841 3.859 -1.502) 6.371 3.405 ( 4.841 3.859 1.502) 6.371 3.673 ( -1.584 1.515 -4.920) 5.387 3.673 ( 1.584 1.515 4.920) 5.387 3.943 ( -2.484 -8.282 -0.419) 8.657 3.943 ( 2.484 -8.282 0.419) 8.657 4.082 ( -0.740 0.945 -10.635) 10.703 4.082 ( 0.740 0.945 10.635) 10.703 4.314 ( -0.914 -4.667 -2.961) 5.602 4.314 ( 0.914 -4.667 2.961) 5.602 4.626 ( 0.142 -2.366 -5.401) 5.898 4.626 ( -0.142 -2.366 5.401) 5.898 4.735 ( 0.230 -0.111 -2.370) 2.384 4.735 ( -0.230 -0.111 2.370) 2.384 4.907 ( -10.843 3.183 -3.440) 11.812 4.907 ( 10.843 3.183 3.440) 11.812 5.176 ( -3.273 -8.128 -2.710) 9.171 5.176 ( 3.273 -8.128 2.710) 9.171 5.284 ( -3.758 -2.393 -4.642) 6.434 5.284 ( 3.758 -2.393 4.642) 6.434 5.465 ( -5.632 -5.775 -4.499) 9.236 5.465 ( 5.632 -5.775 4.499) 9.236 5.732 ( -2.393 -0.694 -2.979) 3.883 5.732 ( 2.393 -0.694 2.979) 3.883 5.989 ( -4.223 0.616 0.060) 4.268 5.989 ( 4.223 0.616 -0.060) 4.268 6.183 ( -5.178 4.963 -4.794) 8.627 6.183 ( 5.178 4.963 4.794) 8.627 6.355 ( -5.657 -3.427 -2.642) 7.122 6.355 ( 5.657 -3.427 2.642) 7.122 6.475 ( -2.007 0.532 -2.948) 3.606 6.475 ( 2.007 0.532 2.948) 3.606 6.599 ( -5.005 -4.855 -1.425) 7.117 6.599 ( 5.005 -4.855 1.425) 7.117 6.737 ( -0.480 -3.444 -4.571) 5.743 6.737 ( 0.480 -3.444 4.571) 5.743 6.981 ( -4.193 0.020 -5.249) 6.718 6.981 ( 4.193 0.020 5.249) 6.718 7.230 ( 2.280 2.891 -1.893) 4.140 7.230 ( -2.280 2.891 1.893) 4.140 7.483 ( 0.863 -0.486 -5.837) 5.921 7.483 ( -0.863 -0.486 5.837) 5.921 7.725 ( -3.797 -0.688 -5.805) 6.970 7.725 ( 3.797 -0.688 5.805) 6.970 8.374 ( 0.102 3.259 -2.032) 3.842 8.374 ( -0.102 3.259 2.032) 3.842 8.665 ( -7.292 6.428 -0.945) 9.767 8.665 ( 7.292 6.428 0.945) 9.767 8.839 ( -8.470 -6.021 0.328) 10.397 8.839 ( 8.470 -6.021 -0.328) 10.397 8.958 ( -1.666 2.114 -2.817) 3.896 8.958 ( 1.666 2.114 2.817) 3.896 9.117 ( 1.579 0.765 -2.567) 3.110 9.117 ( -1.579 0.765 2.567) 3.110 9.456 ( -1.618 -0.916 -0.642) 1.967 9.456 ( 1.618 -0.916 0.642) 1.967 9.898 ( 2.515 5.408 -6.372) 8.728 9.898 ( -2.515 5.408 6.372) 8.728 10.141 ( -2.296 1.723 -0.720) 2.959 10.141 ( 2.296 1.723 0.720) 2.959 10.569 ( -2.158 -5.411 -4.036) 7.087 10.569 ( 2.158 -5.411 4.036) 7.087 10.974 ( 2.978 -8.673 -2.907) 9.620 10.974 ( -2.978 -8.673 2.907) 9.620 14.599 ( 1.671 12.770 -1.813) 13.006 14.599 ( -1.671 12.770 1.813) 13.006 14.708 ( -3.273 11.944 -0.070) 12.384 14.708 ( 3.273 11.944 0.070) 12.384 15.331 ( -1.092 12.404 -1.575) 12.551 15.331 ( 1.092 12.404 1.575) 12.551 15.899 ( -0.056 9.065 -3.703) 9.792 15.899 ( 0.056 9.065 3.703) 9.792 16.583 ( 0.161 -7.974 -1.711) 8.157 16.583 ( -0.161 -7.974 1.711) 8.157 16.833 ( 0.754 -5.827 -4.391) 7.335 16.833 ( -0.754 -5.827 4.391) 7.335 21.923 ( 0.405 0.745 -0.646) 1.066 21.923 ( -0.405 0.745 0.646) 1.066 22.111 ( -0.351 -4.416 -0.663) 4.479 22.111 ( 0.351 -4.416 0.663) 4.479 23.072 ( -1.454 1.869 -0.854) 2.517 23.072 ( 1.454 1.869 0.854) 2.517 23.374 ( -1.173 3.294 -1.495) 3.803 23.374 ( 1.173 3.294 1.495) 3.803 23.559 ( 0.640 -1.086 -4.705) 4.871 23.559 ( -0.640 -1.086 4.705) 4.871 23.900 ( 1.432 -4.070 -1.453) 4.553 23.900 ( -1.432 -4.070 1.453) 4.553 24.554 ( -1.426 -0.561 -2.115) 2.612 24.554 ( 1.426 -0.561 2.115) 2.612 24.674 ( -1.030 -1.869 -0.477) 2.186 24.674 ( 1.030 -1.869 0.477) 2.186 25.139 ( 0.229 0.801 -1.263) 1.513 25.139 ( -0.229 0.801 1.263) 1.513 25.281 ( -1.722 -3.236 -3.354) 4.968 25.281 ( 1.722 -3.236 3.354) 4.968 ======================= Grid point 175 (77/84) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 4.584 17.146 -5.311) 18.526 2.061 ( -4.584 17.146 5.311) 18.526 2.346 ( 8.932 17.684 -8.019) 21.373 2.346 ( -8.932 17.684 8.019) 21.373 2.467 ( -10.426 7.788 -2.290) 13.213 2.467 ( 10.426 7.788 2.290) 13.213 2.854 ( -1.993 -7.330 -5.449) 9.349 2.854 ( 1.993 -7.330 5.449) 9.349 2.966 ( 0.080 0.122 -5.679) 5.681 2.966 ( -0.080 0.122 5.679) 5.681 3.230 ( -1.013 -1.782 -2.814) 3.482 3.230 ( 1.013 -1.782 2.814) 3.482 3.386 ( -8.643 -12.993 -5.692) 16.611 3.386 ( 8.643 -12.993 5.692) 16.611 3.500 ( -5.018 -5.941 -2.132) 8.064 3.500 ( 5.018 -5.941 2.132) 8.064 3.777 ( -1.456 1.343 -1.381) 2.415 3.777 ( 1.456 1.343 1.381) 2.415 4.120 ( -0.450 2.458 -2.960) 3.873 4.120 ( 0.450 2.458 2.960) 3.873 4.259 ( -5.378 3.087 0.207) 6.204 4.259 ( 5.378 3.087 -0.207) 6.204 4.479 ( 4.265 5.166 -4.775) 8.227 4.479 ( -4.265 5.166 4.775) 8.227 4.564 ( -0.430 -0.405 -2.333) 2.406 4.564 ( 0.430 -0.405 2.333) 2.406 4.749 ( -2.933 -0.027 -1.118) 3.139 4.749 ( 2.933 -0.027 1.118) 3.139 5.017 ( -3.375 -2.316 0.626) 4.141 5.017 ( 3.375 -2.316 -0.626) 4.141 5.400 ( -0.650 -0.779 -9.195) 9.251 5.400 ( 0.650 -0.779 9.195) 9.251 5.466 ( -4.070 -2.984 -4.664) 6.871 5.466 ( 4.070 -2.984 4.664) 6.871 5.718 ( -7.501 1.625 -2.673) 8.127 5.718 ( 7.501 1.625 2.673) 8.127 5.894 ( -1.202 -6.481 -1.456) 6.751 5.894 ( 1.202 -6.481 1.456) 6.751 6.145 ( -1.933 -12.617 -2.233) 12.958 6.145 ( 1.933 -12.617 2.233) 12.958 6.314 ( -0.364 5.690 -4.879) 7.505 6.314 ( 0.364 5.690 4.879) 7.505 6.476 ( 2.770 0.767 -5.432) 6.145 6.476 ( -2.770 0.767 5.432) 6.145 6.709 ( 1.498 -0.208 -1.768) 2.327 6.709 ( -1.498 -0.208 1.768) 2.327 6.898 ( 0.710 -0.136 -3.293) 3.372 6.898 ( -0.710 -0.136 3.293) 3.372 7.021 ( -1.936 5.890 -0.554) 6.225 7.021 ( 1.936 5.890 0.554) 6.225 7.222 ( -1.932 -2.316 -2.406) 3.858 7.222 ( 1.932 -2.316 2.406) 3.858 7.824 ( 6.454 4.604 -3.905) 8.838 7.824 ( -6.454 4.604 3.905) 8.838 7.991 ( -7.076 4.604 -2.652) 8.849 7.991 ( 7.076 4.604 2.652) 8.849 8.212 ( -9.246 -1.921 -1.449) 9.554 8.212 ( 9.246 -1.921 1.449) 9.554 8.579 ( -10.391 -2.464 0.850) 10.713 8.579 ( 10.391 -2.464 -0.850) 10.713 8.808 ( -0.135 -0.832 -2.478) 2.617 8.808 ( 0.135 -0.832 2.478) 2.617 8.907 ( 1.020 -2.869 -2.361) 3.853 8.907 ( -1.020 -2.869 2.361) 3.853 9.372 ( 3.554 -3.888 -3.228) 6.178 9.372 ( -3.554 -3.888 3.228) 6.178 9.651 ( 3.002 3.930 -3.337) 5.966 9.651 ( -3.002 3.930 3.337) 5.966 9.761 ( -1.672 -0.147 -2.781) 3.249 9.761 ( 1.672 -0.147 2.781) 3.249 9.987 ( -5.995 1.266 1.021) 6.212 9.987 ( 5.995 1.266 -1.021) 6.212 10.383 ( 0.265 7.787 -2.632) 8.224 10.383 ( -0.265 7.787 2.632) 8.224 10.734 ( -1.960 -8.649 -3.781) 9.641 10.734 ( 1.960 -8.649 3.781) 9.641 14.712 ( 0.258 9.781 -1.548) 9.906 14.712 ( -0.258 9.781 1.548) 9.906 15.000 ( -0.687 -4.973 -0.933) 5.106 15.000 ( 0.687 -4.973 0.933) 5.106 15.584 ( 0.457 19.774 -2.377) 19.922 15.584 ( -0.457 19.774 2.377) 19.922 16.215 ( -1.786 9.924 -1.953) 10.271 16.215 ( 1.786 9.924 1.953) 10.271 16.265 ( -1.767 -8.698 0.436) 8.887 16.265 ( 1.767 -8.698 -0.436) 8.887 16.724 ( 0.701 -9.335 -3.511) 9.998 16.724 ( -0.701 -9.335 3.511) 9.998 21.974 ( -0.801 -0.607 -0.198) 1.025 21.974 ( 0.801 -0.607 0.198) 1.025 21.997 ( -1.709 -0.486 -0.334) 1.808 21.997 ( 1.709 -0.486 0.334) 1.808 23.070 ( -0.558 3.260 -1.330) 3.565 23.070 ( 0.558 3.260 1.330) 3.565 23.377 ( -1.527 -1.207 -0.632) 2.046 23.377 ( 1.527 -1.207 0.632) 2.046 23.577 ( 1.183 5.902 -2.208) 6.411 23.577 ( -1.183 5.902 2.208) 6.411 23.861 ( -0.172 -6.223 -1.994) 6.537 23.861 ( 0.172 -6.223 1.994) 6.537 24.575 ( -0.836 0.593 -0.543) 1.160 24.575 ( 0.836 0.593 0.543) 1.160 24.645 ( -0.188 -2.035 -1.107) 2.325 24.645 ( 0.188 -2.035 1.107) 2.325 25.107 ( 0.440 1.423 -0.597) 1.604 25.107 ( -0.440 1.423 0.597) 1.604 25.232 ( -0.954 -3.683 -1.771) 4.197 25.232 ( 0.954 -3.683 1.771) 4.197 ======================= Grid point 177 (78/84) ======================= q-point: ( 0.17 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -11.450 13.704 5.127) 18.579 2.048 ( -12.681 15.893 -5.656) 21.105 2.127 ( -1.527 16.947 0.525) 17.023 2.200 ( 2.221 14.090 -0.329) 14.267 2.521 ( -5.523 -3.163 -2.519) 6.845 2.561 ( -7.017 -4.796 -1.242) 8.589 2.739 ( -7.777 -5.903 -0.860) 9.801 2.935 ( 2.524 -4.929 7.073) 8.983 2.988 ( 4.271 -1.016 0.049) 4.391 3.062 ( 5.136 2.434 -1.666) 5.923 3.089 ( -5.273 -3.981 -1.577) 6.792 3.178 ( -4.680 -0.905 0.027) 4.767 3.326 ( -0.078 -1.026 1.503) 1.821 3.359 ( 7.002 3.470 2.595) 8.234 3.596 ( -1.299 1.706 0.589) 2.224 3.660 ( 6.155 -1.749 -1.231) 6.517 3.770 ( -0.924 2.865 -3.357) 4.509 3.829 ( 10.231 -2.413 3.425) 11.056 4.141 ( 2.066 1.294 -4.009) 4.692 4.149 ( 0.679 -0.213 3.601) 3.671 4.227 ( 0.655 0.315 -1.030) 1.260 4.329 ( -0.124 3.181 -1.514) 3.525 4.417 ( 2.258 -1.587 0.500) 2.805 4.526 ( 3.659 7.421 -3.317) 8.914 4.562 ( 1.302 -0.633 -1.031) 1.777 4.685 ( 5.782 -3.097 -1.960) 6.846 4.725 ( 1.245 -3.845 3.643) 5.441 4.838 ( 4.814 1.807 0.296) 5.150 4.974 ( -0.216 -4.130 -0.250) 4.143 5.120 ( 4.805 3.097 -0.661) 5.754 5.283 ( -6.083 -3.086 -3.324) 7.588 5.328 ( -3.621 -3.933 0.665) 5.387 5.442 ( -3.557 -0.760 7.887) 8.686 5.515 ( -3.437 -2.217 4.871) 6.361 5.622 ( 1.965 5.442 -1.867) 6.080 5.775 ( -2.354 -0.722 -3.513) 4.290 5.913 ( 2.651 -0.698 1.564) 3.156 5.974 ( 5.032 -10.309 -2.669) 11.777 6.064 ( -2.238 -7.759 0.347) 8.083 6.153 ( -1.697 -10.218 0.356) 10.364 6.322 ( 3.211 1.806 -3.221) 4.893 6.366 ( 1.593 2.706 2.537) 4.037 6.432 ( -1.531 0.683 3.126) 3.547 6.522 ( 1.760 1.491 -1.715) 2.874 6.655 ( -4.850 0.592 3.575) 6.054 6.711 ( -4.088 -1.586 -1.732) 4.715 6.830 ( -1.350 2.638 -3.259) 4.405 6.930 ( 0.435 -1.905 -5.321) 5.668 6.950 ( -3.538 6.959 1.613) 7.972 7.099 ( 4.359 4.778 0.083) 6.468 7.179 ( -0.678 -2.155 0.765) 2.385 7.270 ( -0.052 -1.100 1.795) 2.105 7.643 ( -9.630 2.437 0.818) 9.967 7.680 ( -10.632 3.488 1.002) 11.234 7.832 ( -10.341 -2.873 -1.448) 10.830 8.017 ( -8.771 -4.781 0.597) 10.007 8.230 ( 8.701 5.406 1.466) 10.348 8.406 ( 8.452 -2.442 -3.889) 9.619 8.497 ( 2.958 5.395 1.180) 6.265 8.647 ( -2.718 3.390 -0.323) 4.357 8.816 ( -3.428 -2.540 1.304) 4.461 8.830 ( 1.377 -0.329 -1.443) 2.021 8.897 ( 5.305 -5.186 3.997) 8.428 8.950 ( 0.651 -4.122 1.325) 4.379 9.236 ( -7.659 -0.244 -1.356) 7.781 9.357 ( -1.570 -4.192 -4.078) 6.055 9.527 ( -7.663 4.629 1.691) 9.111 9.626 ( -5.210 -0.052 -1.254) 5.359 9.801 ( 7.741 3.037 1.422) 8.436 9.854 ( 5.411 2.058 -3.396) 6.711 10.012 ( 5.352 2.950 5.406) 8.159 10.160 ( 5.213 -1.919 -1.081) 5.659 10.386 ( 4.289 4.423 2.394) 6.610 10.440 ( 3.331 6.862 -2.402) 7.997 10.685 ( -0.687 -8.252 -3.635) 9.043 10.790 ( 1.771 -8.959 2.623) 9.502 14.718 ( 1.029 9.610 -0.646) 9.687 14.728 ( 1.203 8.870 0.819) 8.988 14.950 ( -3.346 -1.991 -0.446) 3.919 14.988 ( -2.316 -4.303 0.129) 4.889 15.584 ( 1.114 20.580 0.515) 20.617 15.623 ( 2.371 17.708 -0.475) 17.872 16.145 ( -3.113 6.511 -0.328) 7.224 16.185 ( -3.057 8.629 0.562) 9.172 16.306 ( 3.104 -8.304 1.176) 8.943 16.329 ( 3.640 -4.880 -1.044) 6.177 16.709 ( -0.791 -9.559 -1.435) 9.699 16.718 ( -1.160 -9.167 1.339) 9.337 21.950 ( -0.864 0.491 0.251) 1.025 21.958 ( -1.333 1.114 -0.752) 1.893 22.005 ( 1.143 -2.134 0.404) 2.454 22.030 ( 1.119 -2.368 0.143) 2.623 23.064 ( 0.613 3.680 -0.838) 3.823 23.096 ( 1.244 2.161 0.682) 2.585 23.357 ( -0.430 -0.204 0.646) 0.803 23.412 ( 1.239 -2.867 0.596) 3.179 23.563 ( -1.078 5.654 2.540) 6.291 23.590 ( 1.197 6.000 -1.858) 6.394 23.834 ( -1.364 -6.067 -2.441) 6.680 23.862 ( -0.834 -5.940 1.081) 6.095 24.550 ( -1.024 1.359 0.119) 1.705 24.591 ( 0.048 -0.651 -0.427) 0.780 24.623 ( -0.609 -1.028 0.084) 1.198 24.658 ( 0.143 -2.544 -0.229) 2.558 25.113 ( 0.618 1.209 0.924) 1.643 25.124 ( 1.185 1.100 0.095) 1.619 25.204 ( -0.568 -1.705 -1.078) 2.096 25.262 ( 0.833 -4.502 0.116) 4.580 ======================= Grid point 178 (79/84) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -4.872 6.964 3.902) 9.352 1.867 ( -2.230 5.416 -3.196) 6.672 2.133 ( -2.885 3.584 4.196) 6.227 2.173 ( -12.024 -4.519 -2.076) 13.012 2.335 ( -7.998 -1.302 -0.433) 8.115 2.412 ( 2.491 4.502 -4.563) 6.877 2.521 ( -9.594 1.665 -1.924) 9.926 2.776 ( -11.300 -2.917 1.622) 11.783 3.044 ( 0.945 -1.001 3.300) 3.576 3.085 ( 1.172 -3.807 -2.084) 4.496 3.209 ( 4.745 3.056 -2.190) 6.054 3.237 ( 4.328 8.653 2.008) 9.881 3.397 ( 3.183 5.784 3.912) 7.674 3.517 ( 6.440 4.455 3.315) 8.504 3.552 ( 1.172 4.023 -1.074) 4.326 3.718 ( 3.204 1.934 -1.704) 4.112 3.787 ( 4.191 4.831 -1.751) 6.631 4.017 ( -0.497 -3.574 1.747) 4.009 4.095 ( -3.407 0.887 4.947) 6.072 4.186 ( 2.262 1.017 -6.606) 7.056 4.220 ( 0.493 3.704 0.942) 3.854 4.297 ( -0.216 2.234 -3.768) 4.386 4.537 ( -2.327 -3.657 -0.692) 4.390 4.562 ( 3.122 -2.596 0.508) 4.092 4.620 ( 11.622 -0.617 0.568) 11.652 4.676 ( -0.092 -6.243 -2.245) 6.635 4.882 ( -0.772 1.151 -3.561) 3.821 4.908 ( 10.952 -1.928 1.838) 11.271 5.016 ( 2.755 -0.247 0.969) 2.931 5.149 ( -0.047 1.328 0.895) 1.602 5.229 ( -4.131 -2.676 0.666) 4.967 5.245 ( -0.536 -5.908 -4.920) 7.707 5.406 ( -5.697 3.446 4.894) 8.263 5.464 ( -1.368 -0.637 5.281) 5.492 5.691 ( -1.909 0.297 1.394) 2.382 5.726 ( 7.911 4.603 -0.883) 9.195 5.947 ( 0.125 -2.125 0.340) 2.156 6.034 ( 4.209 -3.762 -3.866) 6.842 6.067 ( -4.955 -10.826 4.593) 12.761 6.153 ( 4.218 -4.979 2.587) 7.020 6.357 ( 0.940 -1.403 -2.616) 3.114 6.374 ( -1.886 1.553 0.361) 2.470 6.456 ( 1.518 -0.392 0.749) 1.737 6.499 ( -3.831 3.291 -0.783) 5.111 6.539 ( -5.732 -1.768 -0.746) 6.044 6.594 ( -3.380 0.319 0.234) 3.403 6.782 ( -3.249 0.430 -5.318) 6.246 6.806 ( -7.028 0.944 -4.543) 8.421 6.963 ( 1.939 3.413 2.104) 4.453 7.128 ( -5.587 -0.844 -4.240) 7.064 7.206 ( 5.089 3.474 0.648) 6.196 7.252 ( -0.302 1.491 4.993) 5.219 7.478 ( -4.569 -0.494 0.296) 4.606 7.612 ( -1.260 2.086 4.904) 5.476 7.644 ( -6.686 -4.601 0.336) 8.123 7.816 ( -8.658 -4.767 -2.437) 10.180 8.387 ( 5.170 3.481 -0.289) 6.239 8.448 ( -3.212 4.650 -0.378) 5.664 8.540 ( 5.108 -4.656 -2.711) 7.424 8.670 ( 1.587 0.191 0.938) 1.853 8.747 ( -2.334 -1.708 2.417) 3.769 8.864 ( -0.870 -2.128 0.663) 2.393 8.932 ( -0.794 -0.674 1.297) 1.664 8.975 ( 0.344 -2.846 3.852) 4.802 9.157 ( 1.798 5.509 -4.183) 7.147 9.337 ( 0.473 -0.091 -4.723) 4.748 9.396 ( -4.685 3.516 1.144) 5.969 9.526 ( -4.434 -0.537 -0.486) 4.493 9.930 ( 4.689 2.982 1.030) 5.652 9.973 ( 5.525 4.539 0.094) 7.151 10.122 ( 2.720 1.909 1.659) 3.714 10.181 ( -0.255 -0.663 1.184) 1.381 10.474 ( 2.023 4.999 0.546) 5.421 10.510 ( 3.167 -1.575 -1.870) 4.001 10.704 ( 4.530 -8.347 -2.424) 9.802 10.819 ( -0.184 -9.356 1.772) 9.524 14.746 ( 2.155 8.286 -0.868) 8.606 14.766 ( 2.098 7.058 1.268) 7.472 14.878 ( -3.518 1.740 -0.126) 3.927 14.922 ( -3.872 -0.456 -0.427) 3.922 15.622 ( 1.985 19.458 0.918) 19.580 15.658 ( 1.199 17.242 -0.862) 17.305 16.102 ( -1.078 7.914 -0.071) 7.987 16.133 ( -2.301 8.656 0.268) 8.960 16.365 ( 2.226 -8.526 0.972) 8.865 16.383 ( 2.040 -7.410 -0.837) 7.731 16.686 ( -0.676 -9.630 -1.305) 9.741 16.695 ( -1.550 -9.181 1.218) 9.390 21.940 ( -0.145 1.436 -0.619) 1.570 21.942 ( -0.169 0.860 0.356) 0.946 22.022 ( 0.440 -3.019 0.446) 3.083 22.040 ( -0.074 -3.361 -0.139) 3.365 23.084 ( 1.468 2.916 -0.137) 3.267 23.116 ( 0.478 1.427 0.016) 1.505 23.365 ( 0.575 -0.259 1.738) 1.849 23.417 ( -0.611 -2.350 -1.041) 2.642 23.566 ( 0.203 4.828 2.698) 5.535 23.606 ( 0.821 4.715 -1.549) 5.031 23.798 ( -0.585 -5.410 -2.196) 5.868 23.840 ( -1.822 -5.551 0.801) 5.897 24.541 ( -0.003 1.275 0.781) 1.495 24.575 ( -0.966 -0.471 -0.712) 1.289 24.625 ( 0.397 -1.207 -0.141) 1.278 24.650 ( -0.670 -2.430 -0.346) 2.544 25.135 ( 1.123 0.689 0.414) 1.381 25.146 ( 0.706 0.628 0.693) 1.172 25.204 ( 0.828 -0.611 -0.078) 1.031 25.260 ( -0.745 -3.509 -0.923) 3.704 ======================= Grid point 179 (80/84) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -5.305 -2.619 -5.040) 7.772 1.828 ( 5.305 -2.619 5.040) 7.772 1.999 ( 4.420 -8.558 -2.145) 9.868 1.999 ( -4.420 -8.558 2.145) 9.868 2.332 ( -3.215 8.751 -4.147) 10.204 2.332 ( 3.215 8.751 4.147) 10.204 2.577 ( -0.394 5.113 -3.986) 6.495 2.577 ( 0.394 5.113 3.986) 6.495 3.086 ( 0.722 -2.248 -3.907) 4.565 3.086 ( -0.722 -2.248 3.907) 4.565 3.248 ( 2.488 8.617 -3.125) 9.498 3.248 ( -2.488 8.617 3.125) 9.498 3.468 ( -2.960 3.608 -2.831) 5.458 3.468 ( 2.960 3.608 2.831) 5.458 3.768 ( -2.828 -4.847 -1.577) 5.829 3.768 ( 2.828 -4.847 1.577) 5.829 3.844 ( -4.400 7.822 -5.522) 10.537 3.844 ( 4.400 7.822 5.522) 10.537 4.154 ( -4.918 2.247 -6.387) 8.369 4.154 ( 4.918 2.247 6.387) 8.369 4.249 ( 0.705 3.767 -2.698) 4.687 4.249 ( -0.705 3.767 2.698) 4.687 4.529 ( -0.886 -7.461 -5.860) 9.528 4.529 ( 0.886 -7.461 5.860) 9.528 4.776 ( -4.457 0.025 -6.374) 7.777 4.776 ( 4.457 0.025 6.374) 7.777 4.921 ( -12.857 -1.067 -2.828) 13.207 4.921 ( 12.857 -1.067 2.828) 13.207 5.080 ( -1.388 -1.014 -3.079) 3.526 5.080 ( 1.388 -1.014 3.079) 3.526 5.212 ( 1.307 -5.103 -4.858) 7.166 5.212 ( -1.307 -5.103 4.858) 7.166 5.410 ( -1.301 3.725 -3.059) 4.992 5.410 ( 1.301 3.725 3.059) 4.992 5.780 ( -6.324 3.744 -4.430) 8.581 5.780 ( 6.324 3.744 4.430) 8.581 5.945 ( 2.551 -5.415 -6.476) 8.818 5.945 ( -2.551 -5.415 6.476) 8.818 6.179 ( -6.975 -5.683 -1.539) 9.128 6.179 ( 6.975 -5.683 1.539) 9.128 6.318 ( -1.551 2.296 -1.718) 3.260 6.318 ( 1.551 2.296 1.718) 3.260 6.474 ( 2.140 -2.619 -3.750) 5.050 6.474 ( -2.140 -2.619 3.750) 5.050 6.522 ( -3.606 -1.125 -6.385) 7.418 6.522 ( 3.606 -1.125 6.385) 7.418 6.712 ( -0.721 0.324 -3.183) 3.279 6.712 ( 0.721 0.324 3.183) 3.279 7.014 ( -2.130 2.992 -4.249) 5.616 7.014 ( 2.130 2.992 4.249) 5.616 7.277 ( 0.546 0.763 -1.751) 1.987 7.277 ( -0.546 0.763 1.751) 1.987 7.488 ( -2.223 1.709 -2.255) 3.598 7.488 ( 2.223 1.709 2.255) 3.598 7.682 ( -3.616 -3.546 -3.994) 6.450 7.682 ( 3.616 -3.546 3.994) 6.450 8.425 ( 0.598 2.130 -3.099) 3.808 8.425 ( -0.598 2.130 3.099) 3.808 8.624 ( 1.792 -7.680 -3.022) 8.446 8.624 ( -1.792 -7.680 3.022) 8.446 8.791 ( -3.441 1.646 -0.812) 3.900 8.791 ( 3.441 1.646 0.812) 3.900 8.966 ( 1.948 -0.232 -1.752) 2.631 8.966 ( -1.948 -0.232 1.752) 2.631 9.234 ( -4.398 7.351 -0.957) 8.619 9.234 ( 4.398 7.351 0.957) 8.619 9.437 ( -1.949 -1.539 -1.642) 2.977 9.437 ( 1.949 -1.539 1.642) 2.977 10.004 ( 0.752 4.401 -3.941) 5.955 10.004 ( -0.752 4.401 3.941) 5.955 10.168 ( 1.795 0.484 -1.329) 2.285 10.168 ( -1.795 0.484 1.329) 2.285 10.512 ( 0.975 0.705 -5.674) 5.800 10.512 ( -0.975 0.705 5.674) 5.800 10.790 ( 1.148 -9.314 -3.649) 10.069 10.790 ( -1.148 -9.314 3.649) 10.069 14.790 ( 1.608 6.194 -1.308) 6.531 14.790 ( -1.608 6.194 1.308) 6.531 14.850 ( -2.264 3.071 -0.376) 3.834 14.850 ( 2.264 3.071 0.376) 3.834 15.657 ( -0.572 18.181 -1.385) 18.242 15.657 ( 0.572 18.181 1.385) 18.242 16.101 ( 0.603 8.547 -2.800) 9.014 16.101 ( -0.603 8.547 2.800) 9.014 16.397 ( 0.008 -8.658 -1.506) 8.788 16.397 ( -0.008 -8.658 1.506) 8.788 16.677 ( 0.927 -9.413 -3.600) 10.120 16.677 ( -0.927 -9.413 3.600) 10.120 21.941 ( 0.286 1.059 -0.466) 1.192 21.941 ( -0.286 1.059 0.466) 1.192 22.032 ( -0.330 -3.344 -0.461) 3.392 22.032 ( 0.330 -3.344 0.461) 3.392 23.111 ( -0.764 1.769 -0.384) 1.964 23.111 ( 0.764 1.769 0.384) 1.964 23.391 ( -0.980 -1.023 -2.016) 2.464 23.391 ( 0.980 -1.023 2.016) 2.464 23.593 ( -0.001 4.082 -4.209) 5.863 23.593 ( 0.001 4.082 4.209) 5.863 23.805 ( 1.624 -5.192 -0.934) 5.519 23.805 ( -1.624 -5.192 0.934) 5.519 24.554 ( -0.703 0.452 -0.983) 1.291 24.554 ( 0.703 0.452 0.983) 1.291 24.634 ( -0.547 -1.873 -0.018) 1.951 24.634 ( 0.547 -1.873 0.018) 1.951 25.152 ( 0.449 0.484 -0.685) 0.951 25.152 ( -0.449 0.484 0.685) 0.951 25.231 ( -0.687 -1.641 -2.056) 2.719 25.231 ( 0.687 -1.641 2.056) 2.719 ======================= Grid point 183 (81/84) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -0.000 0.000 0.000) 0.000 2.339 ( -0.000 0.000 0.000) 0.000 2.463 ( -0.000 -0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 -0.000) 0.000 2.585 ( -0.000 0.000 0.000) 0.000 2.743 ( -0.000 0.000 0.000) 0.000 2.743 ( -0.000 0.000 0.000) 0.000 2.967 ( -0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.201 ( -0.000 -0.000 -0.000) 0.000 3.201 ( -0.000 0.000 -0.000) 0.000 3.216 ( 0.000 -0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 3.819 ( -0.000 0.000 0.000) 0.000 4.129 ( -0.000 0.000 0.000) 0.000 4.129 ( -0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.352 ( -0.000 0.000 0.000) 0.000 4.412 ( 0.000 -0.000 0.000) 0.000 4.412 ( -0.000 0.000 0.000) 0.000 4.659 ( -0.000 0.000 0.000) 0.000 4.659 ( 0.000 0.000 0.000) 0.000 4.754 ( -0.000 -0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.004 ( -0.000 0.000 0.000) 0.000 5.396 ( -0.000 0.000 -0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.422 ( -0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.742 ( -0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 5.876 ( -0.000 0.000 0.000) 0.000 5.934 ( 0.000 -0.000 0.000) 0.000 5.934 ( -0.000 -0.000 0.000) 0.000 6.380 ( 0.000 0.000 -0.000) 0.000 6.380 ( -0.000 0.000 0.000) 0.000 6.487 ( 0.000 0.000 -0.000) 0.000 6.487 ( -0.000 0.000 0.000) 0.000 6.703 ( -0.000 0.000 0.000) 0.000 6.703 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 6.892 ( -0.000 0.000 0.000) 0.000 7.127 ( 0.000 -0.000 0.000) 0.000 7.127 ( -0.000 0.000 0.000) 0.000 7.159 ( -0.000 -0.000 0.000) 0.000 7.159 ( 0.000 0.000 0.000) 0.000 7.870 ( -0.000 0.000 0.000) 0.000 7.870 ( 0.000 0.000 0.000) 0.000 8.047 ( 0.000 0.000 -0.000) 0.000 8.047 ( 0.000 0.000 -0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.533 ( -0.000 0.000 0.000) 0.000 8.533 ( -0.000 0.000 0.000) 0.000 8.814 ( 0.000 0.000 -0.000) 0.000 8.814 ( 0.000 0.000 0.000) 0.000 8.874 ( -0.000 0.000 0.000) 0.000 8.874 ( -0.000 0.000 0.000) 0.000 9.333 ( -0.000 0.000 0.000) 0.000 9.333 ( 0.000 0.000 0.000) 0.000 9.699 ( 0.000 0.000 -0.000) 0.000 9.699 ( -0.000 0.000 0.000) 0.000 9.752 ( 0.000 0.000 -0.000) 0.000 9.752 ( -0.000 0.000 0.000) 0.000 10.000 ( 0.000 0.000 -0.000) 0.000 10.000 ( -0.000 0.000 0.000) 0.000 10.537 ( 0.000 -0.000 -0.000) 0.000 10.537 ( 0.000 -0.000 0.000) 0.000 10.572 ( -0.000 0.000 -0.000) 0.000 10.572 ( -0.000 0.000 0.000) 0.000 14.855 ( -0.000 -0.000 0.000) 0.000 14.855 ( -0.000 0.000 0.000) 0.000 14.903 ( 0.000 -0.000 0.000) 0.000 14.903 ( -0.000 0.000 0.000) 0.000 15.949 ( -0.000 -0.000 0.000) 0.000 15.949 ( -0.000 -0.000 0.000) 0.000 15.968 ( -0.000 0.000 0.000) 0.000 15.968 ( -0.000 0.000 0.000) 0.000 16.478 ( 0.000 -0.000 -0.000) 0.000 16.478 ( -0.000 -0.000 0.000) 0.000 16.515 ( 0.000 0.000 0.000) 0.000 16.515 ( -0.000 0.000 0.000) 0.000 21.967 ( -0.000 0.000 0.000) 0.000 21.967 ( 0.000 0.000 0.000) 0.000 21.992 ( -0.000 0.000 0.000) 0.000 21.992 ( 0.000 0.000 0.000) 0.000 23.105 ( -0.000 0.000 0.000) 0.000 23.105 ( 0.000 0.000 0.000) 0.000 23.361 ( -0.000 0.000 0.000) 0.000 23.361 ( -0.000 0.000 0.000) 0.000 23.668 ( -0.000 -0.000 0.000) 0.000 23.668 ( -0.000 0.000 0.000) 0.000 23.767 ( 0.000 0.000 0.000) 0.000 23.767 ( -0.000 0.000 0.000) 0.000 24.585 ( -0.000 0.000 0.000) 0.000 24.585 ( -0.000 0.000 0.000) 0.000 24.619 ( -0.000 0.000 0.000) 0.000 24.619 ( -0.000 0.000 0.000) 0.000 25.124 ( -0.000 0.000 0.000) 0.000 25.124 ( -0.000 0.000 0.000) 0.000 25.194 ( 0.000 0.000 0.000) 0.000 25.194 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 187 (82/84) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -12.251 -10.207 2.384) 16.123 2.213 ( -12.251 10.207 2.384) 16.123 2.344 ( -15.544 -8.262 -2.929) 17.846 2.344 ( -15.544 8.262 -2.929) 17.845 2.496 ( 0.183 -5.385 -2.383) 5.891 2.496 ( 0.183 5.385 -2.383) 5.891 2.666 ( -6.820 -10.205 3.748) 12.834 2.666 ( -6.820 10.205 3.748) 12.834 2.979 ( 2.664 -3.105 -2.710) 4.908 2.979 ( 2.664 3.105 -2.710) 4.908 3.164 ( 3.024 -3.611 -0.740) 4.767 3.164 ( 3.024 3.611 -0.740) 4.767 3.375 ( 7.859 -3.457 2.757) 9.018 3.375 ( 7.859 3.457 2.757) 9.018 3.615 ( 11.640 -0.624 2.626) 11.949 3.615 ( 11.640 0.624 2.626) 11.949 3.828 ( 1.817 -1.182 -0.385) 2.201 3.828 ( 1.817 1.182 -0.385) 2.201 4.132 ( 0.033 -0.665 -0.096) 0.672 4.132 ( 0.033 0.665 -0.096) 0.672 4.284 ( 1.176 -4.805 -1.880) 5.292 4.284 ( 1.176 4.805 -1.880) 5.292 4.470 ( -1.306 -5.709 -3.008) 6.583 4.470 ( -1.306 5.709 -3.008) 6.583 4.650 ( 0.011 -2.231 3.634) 4.264 4.650 ( 0.011 2.231 3.634) 4.264 4.792 ( 4.594 -9.166 -3.517) 10.839 4.792 ( 4.594 9.166 -3.517) 10.839 5.046 ( 3.778 -9.952 -2.207) 10.871 5.046 ( 3.778 9.952 -2.207) 10.871 5.275 ( -5.705 -2.268 -0.036) 6.140 5.275 ( -5.705 2.268 -0.036) 6.140 5.468 ( -2.473 -2.593 8.350) 9.087 5.468 ( -2.473 2.593 8.350) 9.087 5.766 ( 2.803 -7.124 -1.892) 7.886 5.766 ( 2.803 7.124 -1.892) 7.886 5.868 ( -0.808 -7.561 -0.232) 7.608 5.868 ( -0.808 7.561 -0.232) 7.608 5.957 ( 2.626 -5.890 -1.034) 6.531 5.957 ( 2.626 5.890 -1.034) 6.531 6.388 ( 0.313 -1.168 1.867) 2.224 6.388 ( 0.313 1.168 1.867) 2.224 6.487 ( -0.127 -4.475 -1.140) 4.619 6.487 ( -0.127 4.475 -1.140) 4.619 6.675 ( -3.366 -1.775 1.655) 4.149 6.675 ( -3.366 1.775 1.655) 4.149 6.879 ( -0.919 -2.389 -5.126) 5.730 6.879 ( -0.919 2.389 -5.126) 5.730 7.095 ( -1.803 -5.923 0.582) 6.219 7.095 ( -1.803 5.923 0.582) 6.219 7.211 ( 3.176 -5.021 1.495) 6.127 7.211 ( 3.176 5.021 1.495) 6.127 7.680 ( -12.742 -2.220 -0.786) 12.958 7.680 ( -12.742 2.220 -0.786) 12.958 7.887 ( -11.379 -6.727 1.024) 13.259 7.887 ( -11.379 6.727 1.024) 13.259 8.330 ( 9.105 -4.410 -0.084) 10.117 8.330 ( 9.105 4.410 -0.084) 10.117 8.627 ( 2.652 -5.964 -3.020) 7.192 8.627 ( 2.652 5.964 -3.020) 7.192 8.795 ( -1.222 -2.546 4.487) 5.302 8.795 ( -1.222 2.546 4.487) 5.302 8.884 ( 1.391 -1.965 1.225) 2.702 8.884 ( 1.391 1.965 1.225) 2.702 9.274 ( -2.773 -3.392 -3.399) 5.545 9.274 ( -2.773 3.392 -3.399) 5.545 9.601 ( -6.066 -2.479 0.638) 6.584 9.601 ( -6.066 2.479 0.638) 6.584 9.851 ( 6.922 -1.834 -0.485) 7.178 9.851 ( 6.922 1.834 -0.485) 7.178 10.092 ( 5.824 -4.278 1.121) 7.313 10.092 ( 5.824 4.278 1.121) 7.313 10.513 ( -0.140 -7.281 -0.894) 7.337 10.513 ( -0.140 7.281 -0.894) 7.337 10.610 ( 1.988 -8.324 0.407) 8.568 10.610 ( 1.988 8.324 0.407) 8.568 14.854 ( -0.083 -0.834 0.142) 0.850 14.854 ( -0.083 0.834 0.142) 0.850 14.896 ( -0.620 -1.794 -0.196) 1.908 14.896 ( -0.620 1.794 -0.196) 1.908 15.961 ( 1.075 -12.379 0.130) 12.426 15.961 ( 1.075 12.379 0.130) 12.426 15.979 ( 1.061 -12.959 -0.054) 13.002 15.979 ( 1.061 12.959 -0.054) 13.002 16.463 ( -1.394 -4.094 -0.008) 4.325 16.463 ( -1.394 4.094 -0.008) 4.325 16.512 ( -0.353 -3.684 0.024) 3.701 16.512 ( -0.353 3.684 0.024) 3.701 21.966 ( -0.076 -1.012 -0.021) 1.015 21.966 ( -0.076 1.012 -0.021) 1.015 21.990 ( -0.198 -1.439 0.037) 1.453 21.990 ( -0.198 1.439 0.037) 1.453 23.112 ( 0.602 -0.823 -0.061) 1.021 23.112 ( 0.602 0.823 -0.061) 1.021 23.366 ( 0.272 -1.431 0.505) 1.541 23.366 ( 0.272 1.431 0.505) 1.541 23.665 ( -0.232 -2.264 0.408) 2.312 23.665 ( -0.232 2.264 0.408) 2.312 23.757 ( -0.754 -2.300 -0.869) 2.572 23.757 ( -0.754 2.300 -0.869) 2.572 24.576 ( -0.703 -1.039 0.191) 1.269 24.576 ( -0.703 1.039 0.191) 1.269 24.619 ( -0.040 -0.907 -0.225) 0.935 24.619 ( -0.040 0.907 -0.225) 0.935 25.131 ( 0.579 -0.441 0.381) 0.821 25.131 ( 0.579 0.441 0.381) 0.821 25.201 ( 0.689 -1.525 -0.332) 1.706 25.201 ( 0.689 1.525 -0.332) 1.706 ======================= Grid point 189 (83/84) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -12.831 -8.841 1.929) 15.701 1.950 ( -12.831 8.841 1.929) 15.701 2.030 ( -12.518 -6.656 -1.632) 14.271 2.030 ( -12.518 6.656 -1.632) 14.271 2.500 ( 1.886 -4.761 -5.846) 7.772 2.500 ( 1.886 4.761 -5.846) 7.772 2.572 ( -4.701 -10.390 5.321) 12.584 2.572 ( -4.701 10.390 5.321) 12.584 3.041 ( 3.218 -2.075 -2.220) 4.426 3.041 ( 3.218 2.075 -2.220) 4.426 3.239 ( 4.665 -2.388 0.188) 5.244 3.239 ( 4.665 2.388 0.188) 5.244 3.517 ( 3.867 -3.661 3.335) 6.283 3.517 ( 3.867 3.661 3.335) 6.283 3.696 ( -1.752 -6.238 2.480) 6.938 3.696 ( -1.752 6.238 2.480) 6.938 3.928 ( 4.419 -5.499 1.524) 7.217 3.928 ( 4.419 5.499 1.524) 7.217 4.139 ( 3.542 -5.928 -2.890) 7.486 4.139 ( 3.542 5.928 -2.890) 7.486 4.330 ( -3.280 -2.691 -3.742) 5.657 4.330 ( -3.280 2.691 -3.742) 5.657 4.485 ( 9.560 -8.404 -0.045) 12.729 4.485 ( 9.560 8.404 -0.045) 12.729 4.594 ( -4.120 -2.011 -0.039) 4.585 4.594 ( -4.120 2.011 -0.039) 4.585 4.921 ( 6.357 -3.607 -0.596) 7.334 4.921 ( 6.357 3.607 -0.596) 7.334 5.083 ( 0.754 -7.732 -5.514) 9.527 5.083 ( 0.754 7.732 -5.514) 9.527 5.191 ( -4.176 -2.140 2.026) 5.111 5.191 ( -4.176 2.140 2.026) 5.111 5.460 ( 0.535 -1.195 6.719) 6.846 5.460 ( 0.535 1.195 6.719) 6.846 5.808 ( -1.098 -9.644 5.962) 11.391 5.808 ( -1.098 9.644 5.962) 11.391 5.851 ( 1.469 -5.135 -3.442) 6.354 5.851 ( 1.469 5.135 -3.442) 6.354 6.037 ( 5.310 -3.568 -0.646) 6.430 6.037 ( 5.310 3.568 -0.646) 6.430 6.385 ( -1.760 -1.247 -0.599) 2.238 6.385 ( -1.760 1.247 -0.599) 2.238 6.472 ( -1.288 -2.732 1.603) 3.420 6.472 ( -1.288 2.732 1.603) 3.420 6.572 ( -6.047 -2.445 -1.676) 6.735 6.572 ( -6.047 2.445 -1.676) 6.735 6.800 ( -4.361 -1.255 -5.345) 7.012 6.800 ( -4.361 1.255 -5.345) 7.012 7.064 ( -1.075 -5.181 0.241) 5.297 7.064 ( -1.075 5.181 0.241) 5.297 7.269 ( 0.898 -1.298 1.484) 2.166 7.269 ( 0.898 1.298 1.484) 2.166 7.506 ( -2.596 -4.706 1.280) 5.525 7.506 ( -2.596 4.706 1.280) 5.525 7.713 ( -6.863 -5.105 0.454) 8.566 7.713 ( -6.863 5.105 0.454) 8.566 8.455 ( 3.552 -3.505 -2.026) 5.386 8.455 ( 3.552 3.505 -2.026) 5.386 8.556 ( -4.992 -6.269 0.477) 8.028 8.556 ( -4.992 6.269 0.477) 8.028 8.810 ( -0.276 -3.625 2.404) 4.359 8.810 ( -0.276 3.625 2.404) 4.359 8.939 ( 2.125 -0.873 1.973) 3.028 8.939 ( 2.125 0.873 1.973) 3.028 9.265 ( 3.947 -4.828 -4.447) 7.659 9.265 ( 3.947 4.828 -4.447) 7.659 9.489 ( -5.703 -3.348 0.594) 6.640 9.489 ( -5.703 3.348 0.594) 6.640 9.985 ( 5.654 -2.190 1.461) 6.237 9.985 ( 5.654 2.190 1.461) 6.237 10.164 ( 1.235 -1.650 -0.859) 2.232 10.164 ( 1.235 1.650 -0.859) 2.232 10.544 ( 2.659 -5.117 1.049) 5.861 10.544 ( 2.659 5.117 1.049) 5.861 10.635 ( 0.577 -8.073 -0.952) 8.149 10.635 ( 0.577 8.073 -0.952) 8.149 14.855 ( 0.123 -0.682 0.277) 0.746 14.855 ( 0.123 0.682 0.277) 0.746 14.880 ( -0.814 -2.032 -0.329) 2.214 14.880 ( -0.814 2.032 -0.329) 2.214 15.986 ( 1.073 -13.827 0.198) 13.870 15.986 ( 1.073 13.827 0.198) 13.870 16.004 ( 1.242 -14.623 -0.122) 14.676 16.004 ( 1.242 14.623 -0.122) 14.676 16.432 ( -1.459 -3.179 -0.032) 3.498 16.432 ( -1.459 3.179 -0.032) 3.498 16.503 ( -0.481 -2.591 0.041) 2.636 16.503 ( -0.481 2.591 0.041) 2.636 21.964 ( -0.088 -0.632 -0.026) 0.638 21.964 ( -0.088 0.632 -0.026) 0.638 21.986 ( -0.134 -1.130 0.047) 1.139 21.986 ( -0.134 1.130 0.047) 1.139 23.125 ( 0.618 -0.847 -0.046) 1.049 23.125 ( 0.618 0.847 -0.046) 1.049 23.372 ( 0.117 -1.410 0.455) 1.486 23.372 ( 0.117 1.410 0.455) 1.486 23.669 ( 0.497 -3.873 0.653) 3.959 23.669 ( 0.497 3.873 0.653) 3.959 23.731 ( -1.386 -3.924 -1.077) 4.299 23.731 ( -1.386 3.924 -1.077) 4.299 24.566 ( -0.399 -0.820 0.286) 0.955 24.566 ( -0.399 0.820 0.286) 0.955 24.615 ( -0.249 -0.645 -0.337) 0.770 24.615 ( -0.249 0.645 -0.337) 0.770 25.147 ( 0.703 -0.432 0.610) 1.026 25.147 ( 0.703 0.432 0.610) 1.026 25.212 ( 0.458 -1.397 -0.551) 1.570 25.212 ( 0.458 1.397 -0.551) 1.570 ======================= Grid point 191 (84/84) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -0.000 -0.000 -0.000) 0.000 1.814 ( -0.000 0.000 0.000) 0.000 1.893 ( -0.000 -0.000 0.000) 0.000 1.893 ( -0.000 0.000 0.000) 0.000 2.519 ( 0.000 -0.000 -0.000) 0.000 2.519 ( -0.000 0.000 0.000) 0.000 2.523 ( 0.000 -0.000 -0.000) 0.000 2.523 ( -0.000 -0.000 0.000) 0.000 3.064 ( -0.000 0.000 0.000) 0.000 3.064 ( -0.000 0.000 0.000) 0.000 3.305 ( -0.000 0.000 0.000) 0.000 3.305 ( -0.000 0.000 0.000) 0.000 3.568 ( -0.000 -0.000 0.000) 0.000 3.568 ( -0.000 0.000 0.000) 0.000 3.666 ( -0.000 0.000 0.000) 0.000 3.666 ( -0.000 0.000 0.000) 0.000 3.949 ( -0.000 0.000 -0.000) 0.000 3.949 ( -0.000 0.000 0.000) 0.000 4.204 ( -0.000 0.000 -0.000) 0.000 4.204 ( -0.000 0.000 0.000) 0.000 4.364 ( -0.000 -0.000 0.000) 0.000 4.364 ( -0.000 0.000 0.000) 0.000 4.374 ( 0.000 -0.000 -0.000) 0.000 4.374 ( 0.000 -0.000 0.000) 0.000 4.736 ( -0.000 0.000 -0.000) 0.000 4.736 ( -0.000 0.000 0.000) 0.000 4.936 ( -0.000 0.000 0.000) 0.000 4.936 ( 0.000 0.000 0.000) 0.000 5.069 ( -0.000 0.000 0.000) 0.000 5.069 ( -0.000 0.000 0.000) 0.000 5.136 ( -0.000 -0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.527 ( -0.000 -0.000 0.000) 0.000 5.527 ( -0.000 0.000 0.000) 0.000 5.773 ( 0.000 -0.000 -0.000) 0.000 5.773 ( -0.000 0.000 -0.000) 0.000 5.893 ( -0.000 0.000 -0.000) 0.000 5.893 ( -0.000 0.000 0.000) 0.000 6.098 ( -0.000 -0.000 -0.000) 0.000 6.098 ( -0.000 0.000 0.000) 0.000 6.359 ( -0.000 -0.000 0.000) 0.000 6.359 ( -0.000 0.000 0.000) 0.000 6.425 ( 0.000 0.000 -0.000) 0.000 6.425 ( -0.000 0.000 0.000) 0.000 6.519 ( -0.000 0.000 -0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 6.719 ( -0.000 -0.000 -0.000) 0.000 6.719 ( -0.000 -0.000 0.000) 0.000 7.061 ( -0.000 0.000 0.000) 0.000 7.061 ( -0.000 0.000 0.000) 0.000 7.269 ( -0.000 -0.000 -0.000) 0.000 7.269 ( -0.000 -0.000 0.000) 0.000 7.539 ( -0.000 -0.000 -0.000) 0.000 7.539 ( -0.000 -0.000 0.000) 0.000 7.615 ( -0.000 0.000 0.000) 0.000 7.615 ( -0.000 0.000 0.000) 0.000 8.462 ( -0.000 0.000 -0.000) 0.000 8.462 ( -0.000 0.000 0.000) 0.000 8.521 ( -0.000 0.000 -0.000) 0.000 8.521 ( -0.000 -0.000 0.000) 0.000 8.809 ( -0.000 0.000 0.000) 0.000 8.809 ( -0.000 0.000 0.000) 0.000 8.964 ( -0.000 0.000 -0.000) 0.000 8.964 ( -0.000 0.000 0.000) 0.000 9.338 ( 0.000 -0.000 -0.000) 0.000 9.338 ( 0.000 0.000 0.000) 0.000 9.397 ( -0.000 -0.000 0.000) 0.000 9.397 ( -0.000 0.000 0.000) 0.000 10.055 ( -0.000 0.000 0.000) 0.000 10.055 ( -0.000 0.000 0.000) 0.000 10.163 ( -0.000 0.000 -0.000) 0.000 10.163 ( -0.000 0.000 0.000) 0.000 10.586 ( -0.000 -0.000 -0.000) 0.000 10.586 ( -0.000 -0.000 0.000) 0.000 10.631 ( -0.000 0.000 -0.000) 0.000 10.631 ( 0.000 0.000 0.000) 0.000 14.861 ( -0.000 -0.000 0.000) 0.000 14.861 ( 0.000 0.000 0.000) 0.000 14.866 ( -0.000 -0.000 -0.000) 0.000 14.866 ( -0.000 0.000 -0.000) 0.000 15.998 ( -0.000 -0.000 -0.000) 0.000 15.998 ( -0.000 -0.000 0.000) 0.000 16.018 ( -0.000 0.000 0.000) 0.000 16.018 ( -0.000 0.000 0.000) 0.000 16.415 ( -0.000 -0.000 0.000) 0.000 16.415 ( -0.000 -0.000 0.000) 0.000 16.497 ( -0.000 0.000 0.000) 0.000 16.497 ( -0.000 0.000 -0.000) 0.000 21.963 ( -0.000 0.000 -0.000) 0.000 21.963 ( -0.000 0.000 0.000) 0.000 21.985 ( -0.000 -0.000 -0.000) 0.000 21.985 ( -0.000 -0.000 0.000) 0.000 23.131 ( -0.000 0.000 0.000) 0.000 23.131 ( -0.000 0.000 0.000) 0.000 23.374 ( -0.000 0.000 0.000) 0.000 23.374 ( -0.000 0.000 0.000) 0.000 23.686 ( -0.000 -0.000 0.000) 0.000 23.686 ( 0.000 0.000 0.000) 0.000 23.703 ( -0.000 0.000 -0.000) 0.000 23.703 ( -0.000 0.000 0.000) 0.000 24.563 ( -0.000 0.000 -0.000) 0.000 24.563 ( -0.000 0.000 0.000) 0.000 24.611 ( -0.000 0.000 -0.000) 0.000 24.611 ( -0.000 0.000 0.000) 0.000 25.157 ( -0.000 0.000 -0.000) 0.000 25.157 ( -0.000 0.000 0.000) 0.000 25.214 ( -0.000 0.000 -0.000) 0.000 25.214 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25920 10.0 283.904 278.747 200.479 0.000 -10.628 0.000 3/25920 20.0 104.198 98.851 68.945 0.000 -4.045 0.000 3/25920 30.0 48.933 48.576 29.032 0.000 -1.220 0.000 3/25920 40.0 27.481 27.955 15.422 0.000 -0.482 0.000 3/25920 50.0 17.620 18.132 9.595 0.000 -0.239 0.000 3/25920 60.0 12.456 12.908 6.666 0.000 -0.140 0.000 3/25920 70.0 9.455 9.843 5.007 0.000 -0.092 0.000 3/25920 80.0 7.560 7.894 3.976 0.000 -0.065 0.000 3/25920 90.0 6.281 6.572 3.287 0.000 -0.048 0.000 3/25920 100.0 5.370 5.629 2.801 0.000 -0.037 0.000 3/25920 110.0 4.693 4.927 2.441 0.000 -0.029 0.000 3/25920 120.0 4.173 4.387 2.166 0.000 -0.024 0.000 3/25920 130.0 3.760 3.960 1.948 0.000 -0.020 0.000 3/25920 140.0 3.425 3.614 1.773 0.000 -0.017 0.000 3/25920 150.0 3.148 3.329 1.628 0.000 -0.015 0.000 3/25920 160.0 2.915 3.090 1.506 0.000 -0.013 0.000 3/25920 170.0 2.716 2.886 1.403 0.000 -0.011 0.000 3/25920 180.0 2.544 2.710 1.314 0.000 -0.010 0.000 3/25920 190.0 2.394 2.557 1.236 0.000 -0.009 0.000 3/25920 200.0 2.262 2.421 1.168 0.000 -0.008 0.000 3/25920 210.0 2.144 2.301 1.108 0.000 -0.008 0.000 3/25920 220.0 2.039 2.194 1.054 0.000 -0.007 0.000 3/25920 230.0 1.945 2.097 1.006 0.000 -0.006 0.000 3/25920 240.0 1.859 2.009 0.962 0.000 -0.006 0.000 3/25920 250.0 1.781 1.929 0.922 0.000 -0.006 0.000 3/25920 260.0 1.710 1.856 0.886 0.000 -0.005 0.000 3/25920 270.0 1.644 1.788 0.853 0.000 -0.005 0.000 3/25920 280.0 1.584 1.726 0.822 0.000 -0.005 0.000 3/25920 290.0 1.528 1.668 0.794 0.000 -0.004 0.000 3/25920 300.0 1.476 1.614 0.768 0.000 -0.004 0.000 3/25920 310.0 1.428 1.564 0.744 0.000 -0.004 0.000 3/25920 320.0 1.383 1.517 0.721 0.000 -0.004 0.000 3/25920 330.0 1.341 1.473 0.700 0.000 -0.003 0.000 3/25920 340.0 1.301 1.431 0.680 0.000 -0.003 0.000 3/25920 350.0 1.264 1.392 0.661 0.000 -0.003 0.000 3/25920 360.0 1.229 1.355 0.643 0.000 -0.003 0.000 3/25920 370.0 1.196 1.320 0.626 0.000 -0.003 0.000 3/25920 380.0 1.165 1.287 0.610 0.000 -0.003 0.000 3/25920 390.0 1.135 1.256 0.595 0.000 -0.002 0.000 3/25920 400.0 1.107 1.226 0.581 0.000 -0.002 0.000 3/25920 410.0 1.080 1.197 0.568 0.000 -0.002 0.000 3/25920 420.0 1.055 1.170 0.555 0.000 -0.002 0.000 3/25920 430.0 1.031 1.144 0.542 0.000 -0.002 0.000 3/25920 440.0 1.007 1.119 0.531 0.000 -0.002 0.000 3/25920 450.0 0.985 1.096 0.519 0.000 -0.002 0.000 3/25920 460.0 0.964 1.073 0.509 0.000 -0.002 0.000 3/25920 470.0 0.944 1.051 0.498 0.000 -0.002 0.000 3/25920 480.0 0.925 1.030 0.488 0.000 -0.002 0.000 3/25920 490.0 0.906 1.010 0.479 0.000 -0.002 0.000 3/25920 500.0 0.888 0.991 0.470 0.000 -0.002 0.000 3/25920 510.0 0.871 0.972 0.461 0.000 -0.001 0.000 3/25920 520.0 0.855 0.954 0.452 0.000 -0.001 0.000 3/25920 530.0 0.839 0.937 0.444 0.000 -0.001 0.000 3/25920 540.0 0.823 0.920 0.436 0.000 -0.001 0.000 3/25920 550.0 0.809 0.904 0.429 0.000 -0.001 0.000 3/25920 560.0 0.794 0.889 0.422 0.000 -0.001 0.000 3/25920 570.0 0.781 0.874 0.414 0.000 -0.001 0.000 3/25920 580.0 0.767 0.859 0.408 0.000 -0.001 0.000 3/25920 590.0 0.755 0.845 0.401 0.000 -0.001 0.000 3/25920 600.0 0.742 0.832 0.395 0.000 -0.001 0.000 3/25920 610.0 0.730 0.819 0.388 0.000 -0.001 0.000 3/25920 620.0 0.719 0.806 0.382 0.000 -0.001 0.000 3/25920 630.0 0.707 0.794 0.377 0.000 -0.001 0.000 3/25920 640.0 0.697 0.782 0.371 0.000 -0.001 0.000 3/25920 650.0 0.686 0.770 0.365 0.000 -0.001 0.000 3/25920 660.0 0.676 0.759 0.360 0.000 -0.001 0.000 3/25920 670.0 0.666 0.748 0.355 0.000 -0.001 0.000 3/25920 680.0 0.656 0.737 0.350 0.000 -0.001 0.000 3/25920 690.0 0.647 0.727 0.345 0.000 -0.001 0.000 3/25920 700.0 0.638 0.717 0.340 0.000 -0.001 0.000 3/25920 710.0 0.629 0.707 0.336 0.000 -0.001 0.000 3/25920 720.0 0.620 0.697 0.331 0.000 -0.001 0.000 3/25920 730.0 0.612 0.688 0.327 0.000 -0.001 0.000 3/25920 740.0 0.604 0.679 0.323 0.000 -0.001 0.000 3/25920 750.0 0.596 0.670 0.318 0.000 -0.001 0.000 3/25920 760.0 0.588 0.662 0.314 0.000 -0.001 0.000 3/25920 770.0 0.581 0.653 0.310 0.000 -0.001 0.000 3/25920 780.0 0.573 0.645 0.307 0.000 -0.001 0.000 3/25920 790.0 0.566 0.637 0.303 0.000 -0.001 0.000 3/25920 800.0 0.559 0.630 0.299 0.000 -0.001 0.000 3/25920 810.0 0.552 0.622 0.296 0.000 -0.001 0.000 3/25920 820.0 0.546 0.615 0.292 0.000 -0.001 0.000 3/25920 830.0 0.539 0.607 0.289 0.000 -0.001 0.000 3/25920 840.0 0.533 0.600 0.285 0.000 -0.001 0.000 3/25920 850.0 0.527 0.593 0.282 0.000 -0.001 0.000 3/25920 860.0 0.521 0.587 0.279 0.000 -0.001 0.000 3/25920 870.0 0.515 0.580 0.276 0.000 -0.001 0.000 3/25920 880.0 0.509 0.574 0.273 0.000 -0.001 0.000 3/25920 890.0 0.503 0.567 0.270 0.000 -0.001 0.000 3/25920 900.0 0.498 0.561 0.267 0.000 -0.001 0.000 3/25920 910.0 0.492 0.555 0.264 0.000 -0.000 0.000 3/25920 920.0 0.487 0.549 0.261 0.000 -0.000 0.000 3/25920 930.0 0.482 0.544 0.258 0.000 -0.000 0.000 3/25920 940.0 0.477 0.538 0.256 0.000 -0.000 0.000 3/25920 950.0 0.472 0.532 0.253 0.000 -0.000 0.000 3/25920 960.0 0.467 0.527 0.251 0.000 -0.000 0.000 3/25920 970.0 0.462 0.522 0.248 0.000 -0.000 0.000 3/25920 980.0 0.457 0.516 0.246 0.000 -0.000 0.000 3/25920 990.0 0.453 0.511 0.243 0.000 -0.000 0.000 3/25920 1000.0 0.448 0.506 0.241 0.000 -0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m6104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:01:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|