----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:27:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.262657460026910 0.000000000000000 0.000000000000000 b 0.000000000000000 11.024333880000002 0.000000000000000 c -5.948156646681578 0.000000000000000 10.200290188298398 Atomic positions (fractional): *1 Er 0.19436751482990 0.59821553796054 0.49580259478030 167.259 2 Er 0.80563248517010 0.09821553796054 0.00419740521970 167.259 3 Er 0.80563248517010 0.40178446203946 0.50419740521970 167.259 4 Er 0.19436751482990 0.90178446203946 0.99580259478030 167.259 *5 Er 0.40190303039502 0.72599866201066 0.81082315404095 167.259 6 Er 0.59809696960498 0.22599866201066 0.68917684595905 167.259 7 Er 0.59809696960498 0.27400133798934 0.18917684595905 167.259 8 Er 0.40190303039502 0.77400133798934 0.31082315404095 167.259 *9 Er 0.25597648190067 0.96887309200942 0.51862513502775 167.259 10 Er 0.74402351809933 0.46887309200942 0.98137486497225 167.259 11 Er 0.74402351809933 0.03112690799058 0.48137486497225 167.259 12 Er 0.25597648190067 0.53112690799058 0.01862513502775 167.259 *13 F 0.24161652669616 0.78656235281451 0.43927681993782 18.998 14 F 0.75838347330384 0.28656235281451 0.06072318006218 18.998 15 F 0.75838347330384 0.21343764718549 0.56072318006218 18.998 16 F 0.24161652669616 0.71343764718549 0.93927681993782 18.998 *17 Si 0.71372110441480 0.91221353108253 0.74120796970273 28.085 18 Si 0.28627889558520 0.41221353108253 0.75879203029727 28.085 19 Si 0.28627889558520 0.08778646891747 0.25879203029727 28.085 20 Si 0.71372110441480 0.58778646891747 0.24120796970273 28.085 *21 Si 0.87685860213781 0.75720358781887 0.10831681996502 28.085 22 Si 0.12314139786219 0.25720358781887 0.39168318003497 28.085 23 Si 0.12314139786219 0.24279641218113 0.89168318003498 28.085 24 Si 0.87685860213781 0.74279641218113 0.60831681996502 28.085 *25 Si 0.71277570573787 0.96585624193614 0.20833678750275 28.085 26 Si 0.28722429426213 0.46585624193614 0.29166321249726 28.085 27 Si 0.28722429426213 0.03414375806386 0.79166321249726 28.085 28 Si 0.71277570573787 0.53414375806386 0.70833678750274 28.085 *29 O 0.35230100510702 0.97560092047499 0.36420785071757 15.999 30 O 0.64769899489298 0.47560092047498 0.13579214928243 15.999 31 O 0.64769899489298 0.02439907952502 0.63579214928243 15.999 32 O 0.35230100510702 0.52439907952501 0.86420785071757 15.999 *33 O 0.85150158879416 0.94864009495499 0.89456155591937 15.999 34 O 0.14849841120584 0.44864009495499 0.60543844408063 15.999 35 O 0.14849841120584 0.05135990504501 0.10543844408063 15.999 36 O 0.85150158879416 0.55135990504501 0.39456155591937 15.999 *37 O 0.48113501291872 0.85533501572058 0.69641074228142 15.999 38 O 0.51886498708128 0.35533501572058 0.80358925771858 15.999 39 O 0.51886498708128 0.14466498427942 0.30358925771858 15.999 40 O 0.48113501291872 0.64466498427942 0.19641074228142 15.999 *41 O 0.88628365635752 0.68086818795245 0.23204772858876 15.999 42 O 0.11371634364248 0.18086818795245 0.26795227141124 15.999 43 O 0.11371634364248 0.31913181204755 0.76795227141124 15.999 44 O 0.88628365635752 0.81913181204755 0.73204772858876 15.999 *45 O 0.71199880492995 0.67947965354593 0.98005011929112 15.999 46 O 0.28800119507005 0.17947965354593 0.51994988070888 15.999 47 O 0.28800119507005 0.32052034645407 0.01994988070888 15.999 48 O 0.71199880492995 0.82052034645407 0.48005011929112 15.999 *49 O 0.10629967516241 0.77567923646433 0.11867889963742 15.999 50 O 0.89370032483759 0.27567923646433 0.38132110036258 15.999 51 O 0.89370032483759 0.22432076353567 0.88132110036258 15.999 52 O 0.10629967516241 0.72432076353567 0.61867889963742 15.999 *53 O 0.80183425373684 0.89613822558352 0.11937094509352 15.999 54 O 0.19816574626316 0.39613822558352 0.38062905490648 15.999 55 O 0.19816574626316 0.10386177441648 0.88062905490648 15.999 56 O 0.80183425373684 0.60386177441648 0.61937094509352 15.999 *57 O 0.50233844317995 0.60363585039136 0.69147579935113 15.999 58 O 0.49766155682005 0.10363585039136 0.80852420064887 15.999 59 O 0.49766155682005 0.39636414960864 0.30852420064887 15.999 60 O 0.50233844317995 0.89636414960864 0.19147579935113 15.999 *61 O 0.89900380084535 0.98040505368711 0.36318017193205 15.999 62 O 0.10099619915465 0.48040505368711 0.13681982806795 15.999 63 O 0.10099619915465 0.01959494631289 0.63681982806795 15.999 64 O 0.89900380084535 0.51959494631289 0.86318017193205 15.999 *65 O 0.34688340486460 0.59415885537943 0.37199444837057 15.999 66 O 0.65311659513540 0.09415885537943 0.12800555162943 15.999 67 O 0.65311659513540 0.40584114462057 0.62800555162944 15.999 68 O 0.34688340486460 0.90584114462057 0.87199444837056 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.262657460026910 0.000000000000000 0.000000000000000 b 0.000000000000000 11.024333880000002 0.000000000000000 c -5.948156646681578 0.000000000000000 10.200290188298398 Atomic positions (fractional): *1 Er 0.19436751482990 0.59821553796054 0.49580259478030 167.259 > 1 2 Er 0.80563248517010 0.09821553796054 0.00419740521970 167.259 > 2 3 Er 0.80563248517010 0.40178446203946 0.50419740521970 167.259 > 3 4 Er 0.19436751482990 0.90178446203946 0.99580259478030 167.259 > 4 *5 Er 0.40190303039502 0.72599866201066 0.81082315404095 167.259 > 5 6 Er 0.59809696960498 0.22599866201066 0.68917684595905 167.259 > 6 7 Er 0.59809696960498 0.27400133798934 0.18917684595905 167.259 > 7 8 Er 0.40190303039502 0.77400133798934 0.31082315404095 167.259 > 8 *9 Er 0.25597648190067 0.96887309200942 0.51862513502775 167.259 > 9 10 Er 0.74402351809933 0.46887309200942 0.98137486497225 167.259 > 10 11 Er 0.74402351809933 0.03112690799058 0.48137486497225 167.259 > 11 12 Er 0.25597648190067 0.53112690799058 0.01862513502775 167.259 > 12 *13 F 0.24161652669616 0.78656235281451 0.43927681993782 18.998 > 13 14 F 0.75838347330384 0.28656235281451 0.06072318006218 18.998 > 14 15 F 0.75838347330384 0.21343764718549 0.56072318006218 18.998 > 15 16 F 0.24161652669616 0.71343764718549 0.93927681993782 18.998 > 16 *17 Si 0.71372110441480 0.91221353108253 0.74120796970273 28.085 > 17 18 Si 0.28627889558520 0.41221353108253 0.75879203029727 28.085 > 18 19 Si 0.28627889558520 0.08778646891747 0.25879203029727 28.085 > 19 20 Si 0.71372110441480 0.58778646891747 0.24120796970273 28.085 > 20 *21 Si 0.87685860213781 0.75720358781887 0.10831681996502 28.085 > 21 22 Si 0.12314139786219 0.25720358781887 0.39168318003497 28.085 > 22 23 Si 0.12314139786219 0.24279641218113 0.89168318003498 28.085 > 23 24 Si 0.87685860213781 0.74279641218113 0.60831681996502 28.085 > 24 *25 Si 0.71277570573787 0.96585624193614 0.20833678750275 28.085 > 25 26 Si 0.28722429426213 0.46585624193614 0.29166321249726 28.085 > 26 27 Si 0.28722429426213 0.03414375806386 0.79166321249726 28.085 > 27 28 Si 0.71277570573787 0.53414375806386 0.70833678750274 28.085 > 28 *29 O 0.35230100510702 0.97560092047499 0.36420785071757 15.999 > 29 30 O 0.64769899489298 0.47560092047498 0.13579214928243 15.999 > 30 31 O 0.64769899489298 0.02439907952502 0.63579214928243 15.999 > 31 32 O 0.35230100510702 0.52439907952501 0.86420785071757 15.999 > 32 *33 O 0.85150158879416 0.94864009495499 0.89456155591937 15.999 > 33 34 O 0.14849841120584 0.44864009495499 0.60543844408063 15.999 > 34 35 O 0.14849841120584 0.05135990504501 0.10543844408063 15.999 > 35 36 O 0.85150158879416 0.55135990504501 0.39456155591937 15.999 > 36 *37 O 0.48113501291872 0.85533501572058 0.69641074228142 15.999 > 37 38 O 0.51886498708128 0.35533501572058 0.80358925771858 15.999 > 38 39 O 0.51886498708128 0.14466498427942 0.30358925771858 15.999 > 39 40 O 0.48113501291872 0.64466498427942 0.19641074228142 15.999 > 40 *41 O 0.88628365635752 0.68086818795245 0.23204772858876 15.999 > 41 42 O 0.11371634364248 0.18086818795245 0.26795227141124 15.999 > 42 43 O 0.11371634364248 0.31913181204755 0.76795227141124 15.999 > 43 44 O 0.88628365635752 0.81913181204755 0.73204772858876 15.999 > 44 *45 O 0.71199880492995 0.67947965354593 0.98005011929112 15.999 > 45 46 O 0.28800119507005 0.17947965354593 0.51994988070888 15.999 > 46 47 O 0.28800119507005 0.32052034645407 0.01994988070888 15.999 > 47 48 O 0.71199880492995 0.82052034645407 0.48005011929112 15.999 > 48 *49 O 0.10629967516241 0.77567923646433 0.11867889963742 15.999 > 49 50 O 0.89370032483759 0.27567923646433 0.38132110036258 15.999 > 50 51 O 0.89370032483759 0.22432076353567 0.88132110036258 15.999 > 51 52 O 0.10629967516241 0.72432076353567 0.61867889963742 15.999 > 52 *53 O 0.80183425373684 0.89613822558352 0.11937094509352 15.999 > 53 54 O 0.19816574626316 0.39613822558352 0.38062905490648 15.999 > 54 55 O 0.19816574626316 0.10386177441648 0.88062905490648 15.999 > 55 56 O 0.80183425373684 0.60386177441648 0.61937094509352 15.999 > 56 *57 O 0.50233844317995 0.60363585039136 0.69147579935113 15.999 > 57 58 O 0.49766155682005 0.10363585039136 0.80852420064887 15.999 > 58 59 O 0.49766155682005 0.39636414960864 0.30852420064887 15.999 > 59 60 O 0.50233844317995 0.89636414960864 0.19147579935113 15.999 > 60 *61 O 0.89900380084535 0.98040505368711 0.36318017193205 15.999 > 61 62 O 0.10099619915465 0.48040505368711 0.13681982806795 15.999 > 62 63 O 0.10099619915465 0.01959494631289 0.63681982806795 15.999 > 63 64 O 0.89900380084535 0.51959494631289 0.86318017193205 15.999 > 64 *65 O 0.34688340486460 0.59415885537943 0.37199444837057 15.999 > 65 66 O 0.65311659513540 0.09415885537943 0.12800555162943 15.999 > 66 67 O 0.65311659513540 0.40584114462057 0.62800555162944 15.999 > 67 68 O 0.34688340486460 0.90584114462057 0.87199444837056 15.999 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.525314920053820 0.000000000000000 0.000000000000000 b 0.000000000000000 11.024333880000002 0.000000000000000 c -5.948156646681578 0.000000000000000 10.200290188298398 Atomic positions (fractional): *1 Er 0.09718375741495 0.59821553796054 0.49580259478030 167.259 > 1 2 Er 0.59718375741495 0.59821553796054 0.49580259478030 167.259 > 1 3 Er 0.40281624258505 0.09821553796054 0.00419740521970 167.259 > 2 4 Er 0.90281624258505 0.09821553796054 0.00419740521970 167.259 > 2 5 Er 0.40281624258505 0.40178446203946 0.50419740521970 167.259 > 3 6 Er 0.90281624258505 0.40178446203946 0.50419740521970 167.259 > 3 7 Er 0.09718375741495 0.90178446203946 0.99580259478030 167.259 > 4 8 Er 0.59718375741495 0.90178446203946 0.99580259478030 167.259 > 4 *9 Er 0.20095151519751 0.72599866201066 0.81082315404095 167.259 > 5 10 Er 0.70095151519751 0.72599866201066 0.81082315404095 167.259 > 5 11 Er 0.29904848480249 0.22599866201066 0.68917684595905 167.259 > 6 12 Er 0.79904848480249 0.22599866201066 0.68917684595905 167.259 > 6 13 Er 0.29904848480249 0.27400133798934 0.18917684595905 167.259 > 7 14 Er 0.79904848480249 0.27400133798934 0.18917684595905 167.259 > 7 15 Er 0.20095151519751 0.77400133798934 0.31082315404095 167.259 > 8 16 Er 0.70095151519751 0.77400133798934 0.31082315404095 167.259 > 8 *17 Er 0.12798824095033 0.96887309200942 0.51862513502775 167.259 > 9 18 Er 0.62798824095033 0.96887309200942 0.51862513502775 167.259 > 9 19 Er 0.37201175904967 0.46887309200942 0.98137486497225 167.259 > 10 20 Er 0.87201175904967 0.46887309200942 0.98137486497225 167.259 > 10 21 Er 0.37201175904967 0.03112690799058 0.48137486497225 167.259 > 11 22 Er 0.87201175904967 0.03112690799058 0.48137486497225 167.259 > 11 23 Er 0.12798824095033 0.53112690799058 0.01862513502775 167.259 > 12 24 Er 0.62798824095033 0.53112690799058 0.01862513502775 167.259 > 12 *25 F 0.12080826334808 0.78656235281451 0.43927681993782 18.998 > 13 26 F 0.62080826334808 0.78656235281451 0.43927681993782 18.998 > 13 27 F 0.37919173665192 0.28656235281451 0.06072318006218 18.998 > 14 28 F 0.87919173665192 0.28656235281451 0.06072318006218 18.998 > 14 29 F 0.37919173665192 0.21343764718549 0.56072318006218 18.998 > 15 30 F 0.87919173665192 0.21343764718549 0.56072318006218 18.998 > 15 31 F 0.12080826334808 0.71343764718549 0.93927681993782 18.998 > 16 32 F 0.62080826334808 0.71343764718549 0.93927681993782 18.998 > 16 *33 Si 0.35686055220740 0.91221353108253 0.74120796970273 28.085 > 17 34 Si 0.85686055220740 0.91221353108253 0.74120796970273 28.085 > 17 35 Si 0.14313944779260 0.41221353108253 0.75879203029727 28.085 > 18 36 Si 0.64313944779260 0.41221353108253 0.75879203029727 28.085 > 18 37 Si 0.14313944779260 0.08778646891747 0.25879203029727 28.085 > 19 38 Si 0.64313944779260 0.08778646891747 0.25879203029727 28.085 > 19 39 Si 0.35686055220740 0.58778646891747 0.24120796970273 28.085 > 20 40 Si 0.85686055220740 0.58778646891747 0.24120796970273 28.085 > 20 *41 Si 0.43842930106890 0.75720358781887 0.10831681996502 28.085 > 21 42 Si 0.93842930106890 0.75720358781887 0.10831681996502 28.085 > 21 43 Si 0.06157069893109 0.25720358781887 0.39168318003497 28.085 > 22 44 Si 0.56157069893110 0.25720358781887 0.39168318003497 28.085 > 22 45 Si 0.06157069893109 0.24279641218113 0.89168318003498 28.085 > 23 46 Si 0.56157069893110 0.24279641218113 0.89168318003498 28.085 > 23 47 Si 0.43842930106890 0.74279641218113 0.60831681996502 28.085 > 24 48 Si 0.93842930106890 0.74279641218113 0.60831681996502 28.085 > 24 *49 Si 0.35638785286893 0.96585624193614 0.20833678750275 28.085 > 25 50 Si 0.85638785286893 0.96585624193614 0.20833678750275 28.085 > 25 51 Si 0.14361214713107 0.46585624193614 0.29166321249726 28.085 > 26 52 Si 0.64361214713107 0.46585624193614 0.29166321249726 28.085 > 26 53 Si 0.14361214713107 0.03414375806386 0.79166321249726 28.085 > 27 54 Si 0.64361214713107 0.03414375806386 0.79166321249726 28.085 > 27 55 Si 0.35638785286893 0.53414375806386 0.70833678750274 28.085 > 28 56 Si 0.85638785286893 0.53414375806386 0.70833678750274 28.085 > 28 *57 O 0.17615050255351 0.97560092047499 0.36420785071757 15.999 > 29 58 O 0.67615050255351 0.97560092047499 0.36420785071757 15.999 > 29 59 O 0.32384949744649 0.47560092047498 0.13579214928243 15.999 > 30 60 O 0.82384949744649 0.47560092047498 0.13579214928243 15.999 > 30 61 O 0.32384949744649 0.02439907952502 0.63579214928243 15.999 > 31 62 O 0.82384949744649 0.02439907952502 0.63579214928243 15.999 > 31 63 O 0.17615050255351 0.52439907952501 0.86420785071757 15.999 > 32 64 O 0.67615050255351 0.52439907952501 0.86420785071757 15.999 > 32 *65 O 0.42575079439708 0.94864009495499 0.89456155591937 15.999 > 33 66 O 0.92575079439708 0.94864009495499 0.89456155591937 15.999 > 33 67 O 0.07424920560292 0.44864009495499 0.60543844408063 15.999 > 34 68 O 0.57424920560292 0.44864009495499 0.60543844408063 15.999 > 34 69 O 0.07424920560292 0.05135990504501 0.10543844408063 15.999 > 35 70 O 0.57424920560292 0.05135990504501 0.10543844408063 15.999 > 35 71 O 0.42575079439708 0.55135990504501 0.39456155591937 15.999 > 36 72 O 0.92575079439708 0.55135990504501 0.39456155591937 15.999 > 36 *73 O 0.24056750645936 0.85533501572058 0.69641074228142 15.999 > 37 74 O 0.74056750645936 0.85533501572058 0.69641074228142 15.999 > 37 75 O 0.25943249354064 0.35533501572058 0.80358925771858 15.999 > 38 76 O 0.75943249354064 0.35533501572058 0.80358925771858 15.999 > 38 77 O 0.25943249354064 0.14466498427942 0.30358925771858 15.999 > 39 78 O 0.75943249354064 0.14466498427942 0.30358925771858 15.999 > 39 79 O 0.24056750645936 0.64466498427942 0.19641074228142 15.999 > 40 80 O 0.74056750645936 0.64466498427942 0.19641074228142 15.999 > 40 *81 O 0.44314182817876 0.68086818795245 0.23204772858876 15.999 > 41 82 O 0.94314182817876 0.68086818795245 0.23204772858876 15.999 > 41 83 O 0.05685817182124 0.18086818795245 0.26795227141124 15.999 > 42 84 O 0.55685817182124 0.18086818795245 0.26795227141124 15.999 > 42 85 O 0.05685817182124 0.31913181204755 0.76795227141124 15.999 > 43 86 O 0.55685817182124 0.31913181204755 0.76795227141124 15.999 > 43 87 O 0.44314182817876 0.81913181204755 0.73204772858876 15.999 > 44 88 O 0.94314182817876 0.81913181204755 0.73204772858876 15.999 > 44 *89 O 0.35599940246497 0.67947965354593 0.98005011929112 15.999 > 45 90 O 0.85599940246497 0.67947965354593 0.98005011929112 15.999 > 45 91 O 0.14400059753503 0.17947965354593 0.51994988070888 15.999 > 46 92 O 0.64400059753503 0.17947965354593 0.51994988070888 15.999 > 46 93 O 0.14400059753503 0.32052034645407 0.01994988070888 15.999 > 47 94 O 0.64400059753503 0.32052034645407 0.01994988070888 15.999 > 47 95 O 0.35599940246497 0.82052034645407 0.48005011929112 15.999 > 48 96 O 0.85599940246497 0.82052034645407 0.48005011929112 15.999 > 48 *97 O 0.05314983758120 0.77567923646433 0.11867889963742 15.999 > 49 98 O 0.55314983758120 0.77567923646433 0.11867889963742 15.999 > 49 99 O 0.44685016241879 0.27567923646433 0.38132110036258 15.999 > 50 100 O 0.94685016241880 0.27567923646433 0.38132110036258 15.999 > 50 101 O 0.44685016241879 0.22432076353567 0.88132110036258 15.999 > 51 102 O 0.94685016241880 0.22432076353567 0.88132110036258 15.999 > 51 103 O 0.05314983758120 0.72432076353567 0.61867889963742 15.999 > 52 104 O 0.55314983758120 0.72432076353567 0.61867889963742 15.999 > 52 *105 O 0.40091712686842 0.89613822558352 0.11937094509352 15.999 > 53 106 O 0.90091712686842 0.89613822558352 0.11937094509352 15.999 > 53 107 O 0.09908287313158 0.39613822558352 0.38062905490648 15.999 > 54 108 O 0.59908287313158 0.39613822558352 0.38062905490648 15.999 > 54 109 O 0.09908287313158 0.10386177441648 0.88062905490648 15.999 > 55 110 O 0.59908287313158 0.10386177441648 0.88062905490648 15.999 > 55 111 O 0.40091712686842 0.60386177441648 0.61937094509352 15.999 > 56 112 O 0.90091712686842 0.60386177441648 0.61937094509352 15.999 > 56 *113 O 0.25116922158997 0.60363585039136 0.69147579935113 15.999 > 57 114 O 0.75116922158997 0.60363585039136 0.69147579935113 15.999 > 57 115 O 0.24883077841003 0.10363585039136 0.80852420064887 15.999 > 58 116 O 0.74883077841003 0.10363585039136 0.80852420064887 15.999 > 58 117 O 0.24883077841003 0.39636414960864 0.30852420064887 15.999 > 59 118 O 0.74883077841003 0.39636414960864 0.30852420064887 15.999 > 59 119 O 0.25116922158997 0.89636414960864 0.19147579935113 15.999 > 60 120 O 0.75116922158997 0.89636414960864 0.19147579935113 15.999 > 60 *121 O 0.44950190042267 0.98040505368711 0.36318017193205 15.999 > 61 122 O 0.94950190042267 0.98040505368711 0.36318017193205 15.999 > 61 123 O 0.05049809957733 0.48040505368711 0.13681982806795 15.999 > 62 124 O 0.55049809957733 0.48040505368711 0.13681982806795 15.999 > 62 125 O 0.05049809957733 0.01959494631289 0.63681982806795 15.999 > 63 126 O 0.55049809957733 0.01959494631289 0.63681982806795 15.999 > 63 127 O 0.44950190042267 0.51959494631289 0.86318017193205 15.999 > 64 128 O 0.94950190042267 0.51959494631289 0.86318017193205 15.999 > 64 *129 O 0.17344170243230 0.59415885537943 0.37199444837057 15.999 > 65 130 O 0.67344170243230 0.59415885537943 0.37199444837057 15.999 > 65 131 O 0.32655829756770 0.09415885537943 0.12800555162943 15.999 > 66 132 O 0.82655829756770 0.09415885537943 0.12800555162943 15.999 > 66 133 O 0.32655829756770 0.40584114462057 0.62800555162944 15.999 > 67 134 O 0.82655829756770 0.40584114462057 0.62800555162944 15.999 > 67 135 O 0.17344170243230 0.90584114462057 0.87199444837056 15.999 > 68 136 O 0.67344170243230 0.90584114462057 0.87199444837056 15.999 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3073165 0.0000000 -0.0002938 0.0000000 3.2358467 0.0000000 -0.0002948 0.0000000 3.3615576 -------------------------- Born effective charges -------------------------- 1 Er 3.9586659 0.1698762 -0.1418249 0.1758679 3.4907251 0.0239985 -0.1570158 0.0288159 4.0148964 2 Er 3.9586659 -0.1698762 -0.1418249 -0.1758679 3.4907251 -0.0239985 -0.1570158 -0.0288159 4.0148964 3 Er 3.9586659 0.1698762 -0.1418249 0.1758679 3.4907251 0.0239985 -0.1570158 0.0288159 4.0148964 4 Er 3.9586659 -0.1698762 -0.1418249 -0.1758679 3.4907251 -0.0239985 -0.1570158 -0.0288159 4.0148964 5 Er 3.4553804 -0.2009546 -0.0388795 -0.1237912 4.0960282 -0.1415527 0.0018982 -0.2406854 3.9060318 6 Er 3.4553804 0.2009546 -0.0388795 0.1237912 4.0960282 0.1415527 0.0018982 0.2406854 3.9060318 7 Er 3.4553804 -0.2009546 -0.0388795 -0.1237912 4.0960282 -0.1415527 0.0018982 -0.2406854 3.9060318 8 Er 3.4553804 0.2009546 -0.0388795 0.1237912 4.0960282 0.1415527 0.0018982 0.2406854 3.9060318 9 Er 3.8457245 -0.1507574 0.0159435 -0.1855617 3.5985004 -0.0115890 -0.0172674 -0.0587007 3.9047887 10 Er 3.8457245 0.1507574 0.0159435 0.1855617 3.5985004 0.0115890 -0.0172674 0.0587007 3.9047887 11 Er 3.8457245 -0.1507574 0.0159435 -0.1855617 3.5985004 -0.0115890 -0.0172674 -0.0587007 3.9047887 12 Er 3.8457245 0.1507574 0.0159435 0.1855617 3.5985004 0.0115890 -0.0172674 0.0587007 3.9047887 13 F -1.1599936 -0.1182478 0.3384017 -0.0222191 -1.8862429 -0.1442081 0.3534409 -0.1148462 -1.1079817 14 F -1.1599936 0.1182478 0.3384017 0.0222191 -1.8862429 0.1442081 0.3534409 0.1148462 -1.1079817 15 F -1.1599936 -0.1182478 0.3384017 -0.0222191 -1.8862429 -0.1442081 0.3534409 -0.1148462 -1.1079817 16 F -1.1599936 0.1182478 0.3384017 0.0222191 -1.8862429 0.1442081 0.3534409 0.1148462 -1.1079817 17 Si 3.2412276 -0.1125385 0.2582278 -0.2962746 2.8828604 0.0012475 -0.0735806 0.0608813 3.3385252 18 Si 3.2412276 0.1125385 0.2582278 0.2962746 2.8828604 -0.0012475 -0.0735806 -0.0608813 3.3385252 19 Si 3.2412276 -0.1125385 0.2582278 -0.2962746 2.8828604 0.0012475 -0.0735806 0.0608813 3.3385252 20 Si 3.2412276 0.1125385 0.2582278 0.2962746 2.8828604 -0.0012475 -0.0735806 -0.0608813 3.3385252 21 Si 3.4871533 0.1977608 -0.0724519 0.2996185 3.5700631 0.0132334 0.0711879 0.3155885 3.0097137 22 Si 3.4871533 -0.1977608 -0.0724519 -0.2996185 3.5700631 -0.0132334 0.0711879 -0.3155885 3.0097137 23 Si 3.4871533 0.1977608 -0.0724519 0.2996185 3.5700631 0.0132334 0.0711879 0.3155885 3.0097137 24 Si 3.4871533 -0.1977608 -0.0724519 -0.2996185 3.5700631 -0.0132334 0.0711879 -0.3155885 3.0097137 25 Si 3.3281425 0.2460572 -0.2093647 -0.0446737 3.1211220 0.1531416 -0.0219669 0.1035101 3.3791350 26 Si 3.3281425 -0.2460572 -0.2093647 0.0446737 3.1211220 -0.1531416 -0.0219669 -0.1035101 3.3791350 27 Si 3.3281425 0.2460572 -0.2093647 -0.0446737 3.1211220 0.1531416 -0.0219669 0.1035101 3.3791350 28 Si 3.3281425 -0.2460572 -0.2093647 0.0446737 3.1211220 -0.1531416 -0.0219669 -0.1035101 3.3791350 29 O -1.9197043 -0.0335339 0.2775588 0.0613933 -2.0803367 0.2146470 0.3260628 0.2164741 -2.0723476 30 O -1.9197043 0.0335339 0.2775588 -0.0613933 -2.0803367 -0.2146470 0.3260628 -0.2164741 -2.0723476 31 O -1.9197043 -0.0335339 0.2775588 0.0613933 -2.0803367 0.2146470 0.3260628 0.2164741 -2.0723476 32 O -1.9197043 0.0335339 0.2775588 -0.0613933 -2.0803367 -0.2146470 0.3260628 -0.2164741 -2.0723476 33 O -1.9007248 0.3693743 -0.2793117 0.3584561 -1.5952377 -0.3538881 -0.2732129 -0.3698506 -2.4633119 34 O -1.9007248 -0.3693743 -0.2793117 -0.3584561 -1.5952377 0.3538881 -0.2732129 0.3698506 -2.4633119 35 O -1.9007248 0.3693743 -0.2793117 0.3584561 -1.5952377 -0.3538881 -0.2732129 -0.3698506 -2.4633119 36 O -1.9007248 -0.3693743 -0.2793117 -0.3584561 -1.5952377 0.3538881 -0.2732129 0.3698506 -2.4633119 37 O -2.1235909 -0.3697956 -0.1135571 -0.4164826 -1.8855902 0.4546490 -0.0588137 0.4583049 -1.8492674 38 O -2.1235909 0.3697956 -0.1135571 0.4164826 -1.8855902 -0.4546490 -0.0588137 -0.4583049 -1.8492674 39 O -2.1235909 -0.3697956 -0.1135571 -0.4164826 -1.8855902 0.4546490 -0.0588137 0.4583049 -1.8492674 40 O -2.1235909 0.3697956 -0.1135571 0.4164826 -1.8855902 -0.4546490 -0.0588137 -0.4583049 -1.8492674 41 O -1.9091475 -0.6074162 0.2530857 -0.7443904 -1.8506885 0.4854152 0.3649633 0.4618113 -1.8101786 42 O -1.9091475 0.6074162 0.2530857 0.7443904 -1.8506885 -0.4854152 0.3649633 -0.4618113 -1.8101786 43 O -1.9091475 -0.6074162 0.2530857 -0.7443904 -1.8506885 0.4854152 0.3649633 0.4618113 -1.8101786 44 O -1.9091475 0.6074162 0.2530857 0.7443904 -1.8506885 -0.4854152 0.3649633 -0.4618113 -1.8101786 45 O -1.5245151 -0.0213817 -0.5321256 -0.0357215 -2.1448850 -0.1564097 -0.5980156 -0.2446654 -2.3653239 46 O -1.5245151 0.0213817 -0.5321256 0.0357215 -2.1448850 0.1564097 -0.5980156 0.2446654 -2.3653239 47 O -1.5245151 -0.0213817 -0.5321256 -0.0357215 -2.1448850 -0.1564097 -0.5980156 -0.2446654 -2.3653239 48 O -1.5245151 0.0213817 -0.5321256 0.0357215 -2.1448850 0.1564097 -0.5980156 0.2446654 -2.3653239 49 O -2.5071830 -0.3800922 -0.2332499 -0.3541167 -1.5461027 0.1821744 -0.2338922 0.1759118 -1.9861320 50 O -2.5071830 0.3800922 -0.2332499 0.3541167 -1.5461027 -0.1821744 -0.2338922 -0.1759118 -1.9861320 51 O -2.5071830 -0.3800922 -0.2332499 -0.3541167 -1.5461027 0.1821744 -0.2338922 0.1759118 -1.9861320 52 O -2.5071830 0.3800922 -0.2332499 0.3541167 -1.5461027 -0.1821744 -0.2338922 -0.1759118 -1.9861320 53 O -1.8316979 0.4814361 0.4741221 0.5830588 -2.4413975 -0.2263776 0.4053500 -0.1819821 -1.4313815 54 O -1.8316979 -0.4814361 0.4741221 -0.5830588 -2.4413975 0.2263776 0.4053500 0.1819821 -1.4313815 55 O -1.8316979 0.4814361 0.4741221 0.5830588 -2.4413975 -0.2263776 0.4053500 -0.1819821 -1.4313815 56 O -1.8316979 -0.4814361 0.4741221 -0.5830588 -2.4413975 0.2263776 0.4053500 0.1819821 -1.4313815 57 O -2.3783049 0.5683503 -0.2092352 0.5649104 -1.7091696 -0.1305611 -0.2168503 -0.0415094 -2.0285529 58 O -2.3783049 -0.5683503 -0.2092352 -0.5649104 -1.7091696 0.1305611 -0.2168503 0.0415094 -2.0285529 59 O -2.3783049 0.5683503 -0.2092352 0.5649104 -1.7091696 -0.1305611 -0.2168503 -0.0415094 -2.0285529 60 O -2.3783049 -0.5683503 -0.2092352 -0.5649104 -1.7091696 0.1305611 -0.2168503 0.0415094 -2.0285529 61 O -2.2154476 0.0848760 -0.3196871 0.0896931 -1.2058049 -0.1404717 -0.3559051 -0.2018600 -2.6865625 62 O -2.2154476 -0.0848760 -0.3196871 -0.0896931 -1.2058049 0.1404717 -0.3559051 0.2018600 -2.6865625 63 O -2.2154476 0.0848760 -0.3196871 0.0896931 -1.2058049 -0.1404717 -0.3559051 -0.2018600 -2.6865625 64 O -2.2154476 -0.0848760 -0.3196871 -0.0896931 -1.2058049 0.1404717 -0.3559051 0.2018600 -2.6865625 65 O -1.8459843 -0.1488393 0.5323479 -0.1686207 -2.4138437 -0.1101754 0.4836176 -0.1341483 -1.7520509 66 O -1.8459843 0.1488393 0.5323479 0.1686207 -2.4138437 0.1101754 0.4836176 0.1341483 -1.7520509 67 O -1.8459843 -0.1488393 0.5323479 -0.1686207 -2.4138437 -0.1101754 0.4836176 -0.1341483 -1.7520509 68 O -1.8459843 0.1488393 0.5323479 0.1686207 -2.4138437 0.1101754 0.4836176 0.1341483 -1.7520509 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 112 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 112 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2278), data: False |-- (2312, 112), data: (2312, 146) @ (146, 112) |-- (312, 278), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 112), data: (2312, 146) @ (146, 112) |-- (312, 278), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2080 - Time: 3.467 Solver_block: 200 / 2080 - Time: 3.046 Solver_block: 300 / 2080 - Time: 3.056 Solver_block: 400 / 2080 - Time: 3.044 Solver_block: 500 / 2080 - Time: 3.052 Solver_block: 600 / 2080 - Time: 3.220 Solver_block: 700 / 2080 - Time: 3.178 Solver_block: 800 / 2080 - Time: 3.049 Solver_block: 900 / 2080 - Time: 3.073 Solver_block: 1000 / 2080 - Time: 3.106 Solver_block: 1100 / 2080 - Time: 3.042 Solver_block: 1200 / 2080 - Time: 3.038 Solver_block: 1300 / 2080 - Time: 3.045 Solver_block: 1400 / 2080 - Time: 3.038 Solver_block: 1500 / 2080 - Time: 3.071 Solver_block: 1600 / 2080 - Time: 3.026 Solver_block: 1700 / 2080 - Time: 3.049 Solver_block: 1800 / 2080 - Time: 3.019 Solver_block: 1900 / 2080 - Time: 3.035 Solver_block: 2000 / 2080 - Time: 3.036 Solver_block: 2080 / 2080 - Time: 2.503 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 66.203 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 112 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 112 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2278), data: False |-- (2312, 112), data: (2312, 146) @ (146, 112) |-- (312, 278), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 112), data: (2312, 146) @ (146, 112) |-- (312, 278), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:30:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:30:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.262657460026910 0.000000000000000 0.000000000000000 b 0.000000000000000 11.024333880000002 0.000000000000000 c -5.948156646681578 0.000000000000000 10.200290188298398 Atomic positions (fractional): 1 Er 0.19436751482990 0.59821553796054 0.49580259478030 167.259 2 Er 0.80563248517010 0.09821553796054 0.00419740521970 167.259 3 Er 0.80563248517010 0.40178446203946 0.50419740521970 167.259 4 Er 0.19436751482990 0.90178446203946 0.99580259478030 167.259 5 Er 0.40190303039502 0.72599866201066 0.81082315404095 167.259 6 Er 0.59809696960498 0.22599866201066 0.68917684595905 167.259 7 Er 0.59809696960498 0.27400133798934 0.18917684595905 167.259 8 Er 0.40190303039502 0.77400133798934 0.31082315404095 167.259 9 Er 0.25597648190067 0.96887309200942 0.51862513502775 167.259 10 Er 0.74402351809933 0.46887309200942 0.98137486497225 167.259 11 Er 0.74402351809933 0.03112690799058 0.48137486497225 167.259 12 Er 0.25597648190067 0.53112690799058 0.01862513502775 167.259 13 F 0.24161652669616 0.78656235281451 0.43927681993782 18.998 14 F 0.75838347330384 0.28656235281451 0.06072318006218 18.998 15 F 0.75838347330384 0.21343764718549 0.56072318006218 18.998 16 F 0.24161652669616 0.71343764718549 0.93927681993782 18.998 17 Si 0.71372110441480 0.91221353108253 0.74120796970273 28.085 18 Si 0.28627889558520 0.41221353108253 0.75879203029727 28.085 19 Si 0.28627889558520 0.08778646891747 0.25879203029727 28.085 20 Si 0.71372110441480 0.58778646891747 0.24120796970273 28.085 21 Si 0.87685860213781 0.75720358781887 0.10831681996502 28.085 22 Si 0.12314139786219 0.25720358781887 0.39168318003497 28.085 23 Si 0.12314139786219 0.24279641218113 0.89168318003498 28.085 24 Si 0.87685860213781 0.74279641218113 0.60831681996502 28.085 25 Si 0.71277570573787 0.96585624193614 0.20833678750275 28.085 26 Si 0.28722429426213 0.46585624193614 0.29166321249726 28.085 27 Si 0.28722429426213 0.03414375806386 0.79166321249726 28.085 28 Si 0.71277570573787 0.53414375806386 0.70833678750274 28.085 29 O 0.35230100510702 0.97560092047499 0.36420785071757 15.999 30 O 0.64769899489298 0.47560092047498 0.13579214928243 15.999 31 O 0.64769899489298 0.02439907952502 0.63579214928243 15.999 32 O 0.35230100510702 0.52439907952501 0.86420785071757 15.999 33 O 0.85150158879416 0.94864009495499 0.89456155591937 15.999 34 O 0.14849841120584 0.44864009495499 0.60543844408063 15.999 35 O 0.14849841120584 0.05135990504501 0.10543844408063 15.999 36 O 0.85150158879416 0.55135990504501 0.39456155591937 15.999 37 O 0.48113501291872 0.85533501572058 0.69641074228142 15.999 38 O 0.51886498708128 0.35533501572058 0.80358925771858 15.999 39 O 0.51886498708128 0.14466498427942 0.30358925771858 15.999 40 O 0.48113501291872 0.64466498427942 0.19641074228142 15.999 41 O 0.88628365635752 0.68086818795245 0.23204772858876 15.999 42 O 0.11371634364248 0.18086818795245 0.26795227141124 15.999 43 O 0.11371634364248 0.31913181204755 0.76795227141124 15.999 44 O 0.88628365635752 0.81913181204755 0.73204772858876 15.999 45 O 0.71199880492995 0.67947965354593 0.98005011929112 15.999 46 O 0.28800119507005 0.17947965354593 0.51994988070888 15.999 47 O 0.28800119507005 0.32052034645407 0.01994988070888 15.999 48 O 0.71199880492995 0.82052034645407 0.48005011929112 15.999 49 O 0.10629967516241 0.77567923646433 0.11867889963742 15.999 50 O 0.89370032483759 0.27567923646433 0.38132110036258 15.999 51 O 0.89370032483759 0.22432076353567 0.88132110036258 15.999 52 O 0.10629967516241 0.72432076353567 0.61867889963742 15.999 53 O 0.80183425373684 0.89613822558352 0.11937094509352 15.999 54 O 0.19816574626316 0.39613822558352 0.38062905490648 15.999 55 O 0.19816574626316 0.10386177441648 0.88062905490648 15.999 56 O 0.80183425373684 0.60386177441648 0.61937094509352 15.999 57 O 0.50233844317995 0.60363585039136 0.69147579935113 15.999 58 O 0.49766155682005 0.10363585039136 0.80852420064887 15.999 59 O 0.49766155682005 0.39636414960864 0.30852420064887 15.999 60 O 0.50233844317995 0.89636414960864 0.19147579935113 15.999 61 O 0.89900380084535 0.98040505368711 0.36318017193205 15.999 62 O 0.10099619915465 0.48040505368711 0.13681982806795 15.999 63 O 0.10099619915465 0.01959494631289 0.63681982806795 15.999 64 O 0.89900380084535 0.51959494631289 0.86318017193205 15.999 65 O 0.34688340486460 0.59415885537943 0.37199444837057 15.999 66 O 0.65311659513540 0.09415885537943 0.12800555162943 15.999 67 O 0.65311659513540 0.40584114462057 0.62800555162944 15.999 68 O 0.34688340486460 0.90584114462057 0.87199444837056 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.525314920053820 0.000000000000000 0.000000000000000 b 0.000000000000000 11.024333880000002 0.000000000000000 c -5.948156646681578 0.000000000000000 10.200290188298398 Atomic positions (fractional): 1 Er 0.09718375741495 0.59821553796054 0.49580259478030 167.259 > 1 2 Er 0.59718375741495 0.59821553796054 0.49580259478030 167.259 > 1 3 Er 0.40281624258505 0.09821553796054 0.00419740521970 167.259 > 3 4 Er 0.90281624258505 0.09821553796054 0.00419740521970 167.259 > 3 5 Er 0.40281624258505 0.40178446203946 0.50419740521970 167.259 > 5 6 Er 0.90281624258505 0.40178446203946 0.50419740521970 167.259 > 5 7 Er 0.09718375741495 0.90178446203946 0.99580259478030 167.259 > 7 8 Er 0.59718375741495 0.90178446203946 0.99580259478030 167.259 > 7 9 Er 0.20095151519751 0.72599866201066 0.81082315404095 167.259 > 9 10 Er 0.70095151519751 0.72599866201066 0.81082315404095 167.259 > 9 11 Er 0.29904848480249 0.22599866201066 0.68917684595905 167.259 > 11 12 Er 0.79904848480249 0.22599866201066 0.68917684595905 167.259 > 11 13 Er 0.29904848480249 0.27400133798934 0.18917684595905 167.259 > 13 14 Er 0.79904848480249 0.27400133798934 0.18917684595905 167.259 > 13 15 Er 0.20095151519751 0.77400133798934 0.31082315404095 167.259 > 15 16 Er 0.70095151519751 0.77400133798934 0.31082315404095 167.259 > 15 17 Er 0.12798824095033 0.96887309200942 0.51862513502775 167.259 > 17 18 Er 0.62798824095033 0.96887309200942 0.51862513502775 167.259 > 17 19 Er 0.37201175904967 0.46887309200942 0.98137486497225 167.259 > 19 20 Er 0.87201175904967 0.46887309200942 0.98137486497225 167.259 > 19 21 Er 0.37201175904967 0.03112690799058 0.48137486497225 167.259 > 21 22 Er 0.87201175904967 0.03112690799058 0.48137486497225 167.259 > 21 23 Er 0.12798824095033 0.53112690799058 0.01862513502775 167.259 > 23 24 Er 0.62798824095033 0.53112690799058 0.01862513502775 167.259 > 23 25 F 0.12080826334808 0.78656235281451 0.43927681993782 18.998 > 25 26 F 0.62080826334808 0.78656235281451 0.43927681993782 18.998 > 25 27 F 0.37919173665192 0.28656235281451 0.06072318006218 18.998 > 27 28 F 0.87919173665192 0.28656235281451 0.06072318006218 18.998 > 27 29 F 0.37919173665192 0.21343764718549 0.56072318006218 18.998 > 29 30 F 0.87919173665192 0.21343764718549 0.56072318006218 18.998 > 29 31 F 0.12080826334808 0.71343764718549 0.93927681993782 18.998 > 31 32 F 0.62080826334808 0.71343764718549 0.93927681993782 18.998 > 31 33 Si 0.35686055220740 0.91221353108253 0.74120796970273 28.085 > 33 34 Si 0.85686055220740 0.91221353108253 0.74120796970273 28.085 > 33 35 Si 0.14313944779260 0.41221353108253 0.75879203029727 28.085 > 35 36 Si 0.64313944779260 0.41221353108253 0.75879203029727 28.085 > 35 37 Si 0.14313944779260 0.08778646891747 0.25879203029727 28.085 > 37 38 Si 0.64313944779260 0.08778646891747 0.25879203029727 28.085 > 37 39 Si 0.35686055220740 0.58778646891747 0.24120796970273 28.085 > 39 40 Si 0.85686055220740 0.58778646891747 0.24120796970273 28.085 > 39 41 Si 0.43842930106890 0.75720358781887 0.10831681996502 28.085 > 41 42 Si 0.93842930106890 0.75720358781887 0.10831681996502 28.085 > 41 43 Si 0.06157069893109 0.25720358781887 0.39168318003497 28.085 > 43 44 Si 0.56157069893110 0.25720358781887 0.39168318003497 28.085 > 43 45 Si 0.06157069893109 0.24279641218113 0.89168318003498 28.085 > 45 46 Si 0.56157069893110 0.24279641218113 0.89168318003498 28.085 > 45 47 Si 0.43842930106890 0.74279641218113 0.60831681996502 28.085 > 47 48 Si 0.93842930106890 0.74279641218113 0.60831681996502 28.085 > 47 49 Si 0.35638785286893 0.96585624193614 0.20833678750275 28.085 > 49 50 Si 0.85638785286893 0.96585624193614 0.20833678750275 28.085 > 49 51 Si 0.14361214713107 0.46585624193614 0.29166321249726 28.085 > 51 52 Si 0.64361214713107 0.46585624193614 0.29166321249726 28.085 > 51 53 Si 0.14361214713107 0.03414375806386 0.79166321249726 28.085 > 53 54 Si 0.64361214713107 0.03414375806386 0.79166321249726 28.085 > 53 55 Si 0.35638785286893 0.53414375806386 0.70833678750274 28.085 > 55 56 Si 0.85638785286893 0.53414375806386 0.70833678750274 28.085 > 55 57 O 0.17615050255351 0.97560092047499 0.36420785071757 15.999 > 57 58 O 0.67615050255351 0.97560092047499 0.36420785071757 15.999 > 57 59 O 0.32384949744649 0.47560092047498 0.13579214928243 15.999 > 59 60 O 0.82384949744649 0.47560092047498 0.13579214928243 15.999 > 59 61 O 0.32384949744649 0.02439907952502 0.63579214928243 15.999 > 61 62 O 0.82384949744649 0.02439907952502 0.63579214928243 15.999 > 61 63 O 0.17615050255351 0.52439907952501 0.86420785071757 15.999 > 63 64 O 0.67615050255351 0.52439907952501 0.86420785071757 15.999 > 63 65 O 0.42575079439708 0.94864009495499 0.89456155591937 15.999 > 65 66 O 0.92575079439708 0.94864009495499 0.89456155591937 15.999 > 65 67 O 0.07424920560292 0.44864009495499 0.60543844408063 15.999 > 67 68 O 0.57424920560292 0.44864009495499 0.60543844408063 15.999 > 67 69 O 0.07424920560292 0.05135990504501 0.10543844408063 15.999 > 69 70 O 0.57424920560292 0.05135990504501 0.10543844408063 15.999 > 69 71 O 0.42575079439708 0.55135990504501 0.39456155591937 15.999 > 71 72 O 0.92575079439708 0.55135990504501 0.39456155591937 15.999 > 71 73 O 0.24056750645936 0.85533501572058 0.69641074228142 15.999 > 73 74 O 0.74056750645936 0.85533501572058 0.69641074228142 15.999 > 73 75 O 0.25943249354064 0.35533501572058 0.80358925771858 15.999 > 75 76 O 0.75943249354064 0.35533501572058 0.80358925771858 15.999 > 75 77 O 0.25943249354064 0.14466498427942 0.30358925771858 15.999 > 77 78 O 0.75943249354064 0.14466498427942 0.30358925771858 15.999 > 77 79 O 0.24056750645936 0.64466498427942 0.19641074228142 15.999 > 79 80 O 0.74056750645936 0.64466498427942 0.19641074228142 15.999 > 79 81 O 0.44314182817876 0.68086818795245 0.23204772858876 15.999 > 81 82 O 0.94314182817876 0.68086818795245 0.23204772858876 15.999 > 81 83 O 0.05685817182124 0.18086818795245 0.26795227141124 15.999 > 83 84 O 0.55685817182124 0.18086818795245 0.26795227141124 15.999 > 83 85 O 0.05685817182124 0.31913181204755 0.76795227141124 15.999 > 85 86 O 0.55685817182124 0.31913181204755 0.76795227141124 15.999 > 85 87 O 0.44314182817876 0.81913181204755 0.73204772858876 15.999 > 87 88 O 0.94314182817876 0.81913181204755 0.73204772858876 15.999 > 87 89 O 0.35599940246497 0.67947965354593 0.98005011929112 15.999 > 89 90 O 0.85599940246497 0.67947965354593 0.98005011929112 15.999 > 89 91 O 0.14400059753503 0.17947965354593 0.51994988070888 15.999 > 91 92 O 0.64400059753503 0.17947965354593 0.51994988070888 15.999 > 91 93 O 0.14400059753503 0.32052034645407 0.01994988070888 15.999 > 93 94 O 0.64400059753503 0.32052034645407 0.01994988070888 15.999 > 93 95 O 0.35599940246497 0.82052034645407 0.48005011929112 15.999 > 95 96 O 0.85599940246497 0.82052034645407 0.48005011929112 15.999 > 95 97 O 0.05314983758120 0.77567923646433 0.11867889963742 15.999 > 97 98 O 0.55314983758120 0.77567923646433 0.11867889963742 15.999 > 97 99 O 0.44685016241879 0.27567923646433 0.38132110036258 15.999 > 99 100 O 0.94685016241880 0.27567923646433 0.38132110036258 15.999 > 99 101 O 0.44685016241879 0.22432076353567 0.88132110036258 15.999 > 101 102 O 0.94685016241880 0.22432076353567 0.88132110036258 15.999 > 101 103 O 0.05314983758120 0.72432076353567 0.61867889963742 15.999 > 103 104 O 0.55314983758120 0.72432076353567 0.61867889963742 15.999 > 103 105 O 0.40091712686842 0.89613822558352 0.11937094509352 15.999 > 105 106 O 0.90091712686842 0.89613822558352 0.11937094509352 15.999 > 105 107 O 0.09908287313158 0.39613822558352 0.38062905490648 15.999 > 107 108 O 0.59908287313158 0.39613822558352 0.38062905490648 15.999 > 107 109 O 0.09908287313158 0.10386177441648 0.88062905490648 15.999 > 109 110 O 0.59908287313158 0.10386177441648 0.88062905490648 15.999 > 109 111 O 0.40091712686842 0.60386177441648 0.61937094509352 15.999 > 111 112 O 0.90091712686842 0.60386177441648 0.61937094509352 15.999 > 111 113 O 0.25116922158997 0.60363585039136 0.69147579935113 15.999 > 113 114 O 0.75116922158997 0.60363585039136 0.69147579935113 15.999 > 113 115 O 0.24883077841003 0.10363585039136 0.80852420064887 15.999 > 115 116 O 0.74883077841003 0.10363585039136 0.80852420064887 15.999 > 115 117 O 0.24883077841003 0.39636414960864 0.30852420064887 15.999 > 117 118 O 0.74883077841003 0.39636414960864 0.30852420064887 15.999 > 117 119 O 0.25116922158997 0.89636414960864 0.19147579935113 15.999 > 119 120 O 0.75116922158997 0.89636414960864 0.19147579935113 15.999 > 119 121 O 0.44950190042267 0.98040505368711 0.36318017193205 15.999 > 121 122 O 0.94950190042267 0.98040505368711 0.36318017193205 15.999 > 121 123 O 0.05049809957733 0.48040505368711 0.13681982806795 15.999 > 123 124 O 0.55049809957733 0.48040505368711 0.13681982806795 15.999 > 123 125 O 0.05049809957733 0.01959494631289 0.63681982806795 15.999 > 125 126 O 0.55049809957733 0.01959494631289 0.63681982806795 15.999 > 125 127 O 0.44950190042267 0.51959494631289 0.86318017193205 15.999 > 127 128 O 0.94950190042267 0.51959494631289 0.86318017193205 15.999 > 127 129 O 0.17344170243230 0.59415885537943 0.37199444837057 15.999 > 129 130 O 0.67344170243230 0.59415885537943 0.37199444837057 15.999 > 129 131 O 0.32655829756770 0.09415885537943 0.12800555162943 15.999 > 131 132 O 0.82655829756770 0.09415885537943 0.12800555162943 15.999 > 131 133 O 0.32655829756770 0.40584114462057 0.62800555162944 15.999 > 133 134 O 0.82655829756770 0.40584114462057 0.62800555162944 15.999 > 133 135 O 0.17344170243230 0.90584114462057 0.87199444837056 15.999 > 135 136 O 0.67344170243230 0.90584114462057 0.87199444837056 15.999 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3073165 0.0000000 -0.0002938 0.0000000 3.2358467 0.0000000 -0.0002948 0.0000000 3.3615576 -------------------------- Born effective charges -------------------------- 1 Er 3.9586659 0.1698762 -0.1418249 0.1758679 3.4907251 0.0239985 -0.1570158 0.0288159 4.0148964 2 Er 3.9586659 -0.1698762 -0.1418249 -0.1758679 3.4907251 -0.0239985 -0.1570158 -0.0288159 4.0148964 3 Er 3.9586659 0.1698762 -0.1418249 0.1758679 3.4907251 0.0239985 -0.1570158 0.0288159 4.0148964 4 Er 3.9586659 -0.1698762 -0.1418249 -0.1758679 3.4907251 -0.0239985 -0.1570158 -0.0288159 4.0148964 5 Er 3.4553804 -0.2009546 -0.0388795 -0.1237912 4.0960282 -0.1415527 0.0018982 -0.2406854 3.9060318 6 Er 3.4553804 0.2009546 -0.0388795 0.1237912 4.0960282 0.1415527 0.0018982 0.2406854 3.9060318 7 Er 3.4553804 -0.2009546 -0.0388795 -0.1237912 4.0960282 -0.1415527 0.0018982 -0.2406854 3.9060318 8 Er 3.4553804 0.2009546 -0.0388795 0.1237912 4.0960282 0.1415527 0.0018982 0.2406854 3.9060318 9 Er 3.8457245 -0.1507574 0.0159435 -0.1855617 3.5985004 -0.0115890 -0.0172674 -0.0587007 3.9047887 10 Er 3.8457245 0.1507574 0.0159435 0.1855617 3.5985004 0.0115890 -0.0172674 0.0587007 3.9047887 11 Er 3.8457245 -0.1507574 0.0159435 -0.1855617 3.5985004 -0.0115890 -0.0172674 -0.0587007 3.9047887 12 Er 3.8457245 0.1507574 0.0159435 0.1855617 3.5985004 0.0115890 -0.0172674 0.0587007 3.9047887 13 F -1.1599936 -0.1182478 0.3384017 -0.0222191 -1.8862429 -0.1442081 0.3534409 -0.1148462 -1.1079817 14 F -1.1599936 0.1182478 0.3384017 0.0222191 -1.8862429 0.1442081 0.3534409 0.1148462 -1.1079817 15 F -1.1599936 -0.1182478 0.3384017 -0.0222191 -1.8862429 -0.1442081 0.3534409 -0.1148462 -1.1079817 16 F -1.1599936 0.1182478 0.3384017 0.0222191 -1.8862429 0.1442081 0.3534409 0.1148462 -1.1079817 17 Si 3.2412276 -0.1125385 0.2582278 -0.2962746 2.8828604 0.0012475 -0.0735806 0.0608813 3.3385252 18 Si 3.2412276 0.1125385 0.2582278 0.2962746 2.8828604 -0.0012475 -0.0735806 -0.0608813 3.3385252 19 Si 3.2412276 -0.1125385 0.2582278 -0.2962746 2.8828604 0.0012475 -0.0735806 0.0608813 3.3385252 20 Si 3.2412276 0.1125385 0.2582278 0.2962746 2.8828604 -0.0012475 -0.0735806 -0.0608813 3.3385252 21 Si 3.4871533 0.1977608 -0.0724519 0.2996185 3.5700631 0.0132334 0.0711879 0.3155885 3.0097137 22 Si 3.4871533 -0.1977608 -0.0724519 -0.2996185 3.5700631 -0.0132334 0.0711879 -0.3155885 3.0097137 23 Si 3.4871533 0.1977608 -0.0724519 0.2996185 3.5700631 0.0132334 0.0711879 0.3155885 3.0097137 24 Si 3.4871533 -0.1977608 -0.0724519 -0.2996185 3.5700631 -0.0132334 0.0711879 -0.3155885 3.0097137 25 Si 3.3281425 0.2460572 -0.2093647 -0.0446737 3.1211220 0.1531416 -0.0219669 0.1035101 3.3791350 26 Si 3.3281425 -0.2460572 -0.2093647 0.0446737 3.1211220 -0.1531416 -0.0219669 -0.1035101 3.3791350 27 Si 3.3281425 0.2460572 -0.2093647 -0.0446737 3.1211220 0.1531416 -0.0219669 0.1035101 3.3791350 28 Si 3.3281425 -0.2460572 -0.2093647 0.0446737 3.1211220 -0.1531416 -0.0219669 -0.1035101 3.3791350 29 O -1.9197043 -0.0335339 0.2775588 0.0613933 -2.0803367 0.2146470 0.3260628 0.2164741 -2.0723476 30 O -1.9197043 0.0335339 0.2775588 -0.0613933 -2.0803367 -0.2146470 0.3260628 -0.2164741 -2.0723476 31 O -1.9197043 -0.0335339 0.2775588 0.0613933 -2.0803367 0.2146470 0.3260628 0.2164741 -2.0723476 32 O -1.9197043 0.0335339 0.2775588 -0.0613933 -2.0803367 -0.2146470 0.3260628 -0.2164741 -2.0723476 33 O -1.9007248 0.3693743 -0.2793117 0.3584561 -1.5952377 -0.3538881 -0.2732129 -0.3698506 -2.4633119 34 O -1.9007248 -0.3693743 -0.2793117 -0.3584561 -1.5952377 0.3538881 -0.2732129 0.3698506 -2.4633119 35 O -1.9007248 0.3693743 -0.2793117 0.3584561 -1.5952377 -0.3538881 -0.2732129 -0.3698506 -2.4633119 36 O -1.9007248 -0.3693743 -0.2793117 -0.3584561 -1.5952377 0.3538881 -0.2732129 0.3698506 -2.4633119 37 O -2.1235909 -0.3697956 -0.1135571 -0.4164826 -1.8855902 0.4546490 -0.0588137 0.4583049 -1.8492674 38 O -2.1235909 0.3697956 -0.1135571 0.4164826 -1.8855902 -0.4546490 -0.0588137 -0.4583049 -1.8492674 39 O -2.1235909 -0.3697956 -0.1135571 -0.4164826 -1.8855902 0.4546490 -0.0588137 0.4583049 -1.8492674 40 O -2.1235909 0.3697956 -0.1135571 0.4164826 -1.8855902 -0.4546490 -0.0588137 -0.4583049 -1.8492674 41 O -1.9091475 -0.6074162 0.2530857 -0.7443904 -1.8506885 0.4854152 0.3649633 0.4618113 -1.8101786 42 O -1.9091475 0.6074162 0.2530857 0.7443904 -1.8506885 -0.4854152 0.3649633 -0.4618113 -1.8101786 43 O -1.9091475 -0.6074162 0.2530857 -0.7443904 -1.8506885 0.4854152 0.3649633 0.4618113 -1.8101786 44 O -1.9091475 0.6074162 0.2530857 0.7443904 -1.8506885 -0.4854152 0.3649633 -0.4618113 -1.8101786 45 O -1.5245151 -0.0213817 -0.5321256 -0.0357215 -2.1448850 -0.1564097 -0.5980156 -0.2446654 -2.3653239 46 O -1.5245151 0.0213817 -0.5321256 0.0357215 -2.1448850 0.1564097 -0.5980156 0.2446654 -2.3653239 47 O -1.5245151 -0.0213817 -0.5321256 -0.0357215 -2.1448850 -0.1564097 -0.5980156 -0.2446654 -2.3653239 48 O -1.5245151 0.0213817 -0.5321256 0.0357215 -2.1448850 0.1564097 -0.5980156 0.2446654 -2.3653239 49 O -2.5071830 -0.3800922 -0.2332499 -0.3541167 -1.5461027 0.1821744 -0.2338922 0.1759118 -1.9861320 50 O -2.5071830 0.3800922 -0.2332499 0.3541167 -1.5461027 -0.1821744 -0.2338922 -0.1759118 -1.9861320 51 O -2.5071830 -0.3800922 -0.2332499 -0.3541167 -1.5461027 0.1821744 -0.2338922 0.1759118 -1.9861320 52 O -2.5071830 0.3800922 -0.2332499 0.3541167 -1.5461027 -0.1821744 -0.2338922 -0.1759118 -1.9861320 53 O -1.8316979 0.4814361 0.4741221 0.5830588 -2.4413975 -0.2263776 0.4053500 -0.1819821 -1.4313815 54 O -1.8316979 -0.4814361 0.4741221 -0.5830588 -2.4413975 0.2263776 0.4053500 0.1819821 -1.4313815 55 O -1.8316979 0.4814361 0.4741221 0.5830588 -2.4413975 -0.2263776 0.4053500 -0.1819821 -1.4313815 56 O -1.8316979 -0.4814361 0.4741221 -0.5830588 -2.4413975 0.2263776 0.4053500 0.1819821 -1.4313815 57 O -2.3783049 0.5683503 -0.2092352 0.5649104 -1.7091696 -0.1305611 -0.2168503 -0.0415094 -2.0285529 58 O -2.3783049 -0.5683503 -0.2092352 -0.5649104 -1.7091696 0.1305611 -0.2168503 0.0415094 -2.0285529 59 O -2.3783049 0.5683503 -0.2092352 0.5649104 -1.7091696 -0.1305611 -0.2168503 -0.0415094 -2.0285529 60 O -2.3783049 -0.5683503 -0.2092352 -0.5649104 -1.7091696 0.1305611 -0.2168503 0.0415094 -2.0285529 61 O -2.2154476 0.0848760 -0.3196871 0.0896931 -1.2058049 -0.1404717 -0.3559051 -0.2018600 -2.6865625 62 O -2.2154476 -0.0848760 -0.3196871 -0.0896931 -1.2058049 0.1404717 -0.3559051 0.2018600 -2.6865625 63 O -2.2154476 0.0848760 -0.3196871 0.0896931 -1.2058049 -0.1404717 -0.3559051 -0.2018600 -2.6865625 64 O -2.2154476 -0.0848760 -0.3196871 -0.0896931 -1.2058049 0.1404717 -0.3559051 0.2018600 -2.6865625 65 O -1.8459843 -0.1488393 0.5323479 -0.1686207 -2.4138437 -0.1101754 0.4836176 -0.1341483 -1.7520509 66 O -1.8459843 0.1488393 0.5323479 0.1686207 -2.4138437 0.1101754 0.4836176 0.1341483 -1.7520509 67 O -1.8459843 -0.1488393 0.5323479 -0.1686207 -2.4138437 -0.1101754 0.4836176 -0.1341483 -1.7520509 68 O -1.8459843 0.1488393 0.5323479 0.1686207 -2.4138437 0.1101754 0.4836176 0.1341483 -1.7520509 ---------------------------------------------------------------------------- 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 41, 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 105, 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 121, 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:32:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:32:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.262657460026910 0.000000000000000 0.000000000000000 b 0.000000000000000 11.024333880000002 0.000000000000000 c -5.948156646681578 0.000000000000000 10.200290188298398 Atomic positions (fractional): 1 Er 0.19436751482990 0.59821553796054 0.49580259478030 167.259 2 Er 0.80563248517010 0.09821553796054 0.00419740521970 167.259 3 Er 0.80563248517010 0.40178446203946 0.50419740521970 167.259 4 Er 0.19436751482990 0.90178446203946 0.99580259478030 167.259 5 Er 0.40190303039502 0.72599866201066 0.81082315404095 167.259 6 Er 0.59809696960498 0.22599866201066 0.68917684595905 167.259 7 Er 0.59809696960498 0.27400133798934 0.18917684595905 167.259 8 Er 0.40190303039502 0.77400133798934 0.31082315404095 167.259 9 Er 0.25597648190067 0.96887309200942 0.51862513502775 167.259 10 Er 0.74402351809933 0.46887309200942 0.98137486497225 167.259 11 Er 0.74402351809933 0.03112690799058 0.48137486497225 167.259 12 Er 0.25597648190067 0.53112690799058 0.01862513502775 167.259 13 F 0.24161652669616 0.78656235281451 0.43927681993782 18.998 14 F 0.75838347330384 0.28656235281451 0.06072318006218 18.998 15 F 0.75838347330384 0.21343764718549 0.56072318006218 18.998 16 F 0.24161652669616 0.71343764718549 0.93927681993782 18.998 17 Si 0.71372110441480 0.91221353108253 0.74120796970273 28.085 18 Si 0.28627889558520 0.41221353108253 0.75879203029727 28.085 19 Si 0.28627889558520 0.08778646891747 0.25879203029727 28.085 20 Si 0.71372110441480 0.58778646891747 0.24120796970273 28.085 21 Si 0.87685860213781 0.75720358781887 0.10831681996502 28.085 22 Si 0.12314139786219 0.25720358781887 0.39168318003497 28.085 23 Si 0.12314139786219 0.24279641218113 0.89168318003498 28.085 24 Si 0.87685860213781 0.74279641218113 0.60831681996502 28.085 25 Si 0.71277570573787 0.96585624193614 0.20833678750275 28.085 26 Si 0.28722429426213 0.46585624193614 0.29166321249726 28.085 27 Si 0.28722429426213 0.03414375806386 0.79166321249726 28.085 28 Si 0.71277570573787 0.53414375806386 0.70833678750274 28.085 29 O 0.35230100510702 0.97560092047499 0.36420785071757 15.999 30 O 0.64769899489298 0.47560092047498 0.13579214928243 15.999 31 O 0.64769899489298 0.02439907952502 0.63579214928243 15.999 32 O 0.35230100510702 0.52439907952501 0.86420785071757 15.999 33 O 0.85150158879416 0.94864009495499 0.89456155591937 15.999 34 O 0.14849841120584 0.44864009495499 0.60543844408063 15.999 35 O 0.14849841120584 0.05135990504501 0.10543844408063 15.999 36 O 0.85150158879416 0.55135990504501 0.39456155591937 15.999 37 O 0.48113501291872 0.85533501572058 0.69641074228142 15.999 38 O 0.51886498708128 0.35533501572058 0.80358925771858 15.999 39 O 0.51886498708128 0.14466498427942 0.30358925771858 15.999 40 O 0.48113501291872 0.64466498427942 0.19641074228142 15.999 41 O 0.88628365635752 0.68086818795245 0.23204772858876 15.999 42 O 0.11371634364248 0.18086818795245 0.26795227141124 15.999 43 O 0.11371634364248 0.31913181204755 0.76795227141124 15.999 44 O 0.88628365635752 0.81913181204755 0.73204772858876 15.999 45 O 0.71199880492995 0.67947965354593 0.98005011929112 15.999 46 O 0.28800119507005 0.17947965354593 0.51994988070888 15.999 47 O 0.28800119507005 0.32052034645407 0.01994988070888 15.999 48 O 0.71199880492995 0.82052034645407 0.48005011929112 15.999 49 O 0.10629967516241 0.77567923646433 0.11867889963742 15.999 50 O 0.89370032483759 0.27567923646433 0.38132110036258 15.999 51 O 0.89370032483759 0.22432076353567 0.88132110036258 15.999 52 O 0.10629967516241 0.72432076353567 0.61867889963742 15.999 53 O 0.80183425373684 0.89613822558352 0.11937094509352 15.999 54 O 0.19816574626316 0.39613822558352 0.38062905490648 15.999 55 O 0.19816574626316 0.10386177441648 0.88062905490648 15.999 56 O 0.80183425373684 0.60386177441648 0.61937094509352 15.999 57 O 0.50233844317995 0.60363585039136 0.69147579935113 15.999 58 O 0.49766155682005 0.10363585039136 0.80852420064887 15.999 59 O 0.49766155682005 0.39636414960864 0.30852420064887 15.999 60 O 0.50233844317995 0.89636414960864 0.19147579935113 15.999 61 O 0.89900380084535 0.98040505368711 0.36318017193205 15.999 62 O 0.10099619915465 0.48040505368711 0.13681982806795 15.999 63 O 0.10099619915465 0.01959494631289 0.63681982806795 15.999 64 O 0.89900380084535 0.51959494631289 0.86318017193205 15.999 65 O 0.34688340486460 0.59415885537943 0.37199444837057 15.999 66 O 0.65311659513540 0.09415885537943 0.12800555162943 15.999 67 O 0.65311659513540 0.40584114462057 0.62800555162944 15.999 68 O 0.34688340486460 0.90584114462057 0.87199444837056 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.525314920053820 0.000000000000000 0.000000000000000 b 0.000000000000000 11.024333880000002 0.000000000000000 c -5.948156646681578 0.000000000000000 10.200290188298398 Atomic positions (fractional): 1 Er 0.09718375741495 0.59821553796054 0.49580259478030 167.259 > 1 2 Er 0.59718375741495 0.59821553796054 0.49580259478030 167.259 > 1 3 Er 0.40281624258505 0.09821553796054 0.00419740521970 167.259 > 3 4 Er 0.90281624258505 0.09821553796054 0.00419740521970 167.259 > 3 5 Er 0.40281624258505 0.40178446203946 0.50419740521970 167.259 > 5 6 Er 0.90281624258505 0.40178446203946 0.50419740521970 167.259 > 5 7 Er 0.09718375741495 0.90178446203946 0.99580259478030 167.259 > 7 8 Er 0.59718375741495 0.90178446203946 0.99580259478030 167.259 > 7 9 Er 0.20095151519751 0.72599866201066 0.81082315404095 167.259 > 9 10 Er 0.70095151519751 0.72599866201066 0.81082315404095 167.259 > 9 11 Er 0.29904848480249 0.22599866201066 0.68917684595905 167.259 > 11 12 Er 0.79904848480249 0.22599866201066 0.68917684595905 167.259 > 11 13 Er 0.29904848480249 0.27400133798934 0.18917684595905 167.259 > 13 14 Er 0.79904848480249 0.27400133798934 0.18917684595905 167.259 > 13 15 Er 0.20095151519751 0.77400133798934 0.31082315404095 167.259 > 15 16 Er 0.70095151519751 0.77400133798934 0.31082315404095 167.259 > 15 17 Er 0.12798824095033 0.96887309200942 0.51862513502775 167.259 > 17 18 Er 0.62798824095033 0.96887309200942 0.51862513502775 167.259 > 17 19 Er 0.37201175904967 0.46887309200942 0.98137486497225 167.259 > 19 20 Er 0.87201175904967 0.46887309200942 0.98137486497225 167.259 > 19 21 Er 0.37201175904967 0.03112690799058 0.48137486497225 167.259 > 21 22 Er 0.87201175904967 0.03112690799058 0.48137486497225 167.259 > 21 23 Er 0.12798824095033 0.53112690799058 0.01862513502775 167.259 > 23 24 Er 0.62798824095033 0.53112690799058 0.01862513502775 167.259 > 23 25 F 0.12080826334808 0.78656235281451 0.43927681993782 18.998 > 25 26 F 0.62080826334808 0.78656235281451 0.43927681993782 18.998 > 25 27 F 0.37919173665192 0.28656235281451 0.06072318006218 18.998 > 27 28 F 0.87919173665192 0.28656235281451 0.06072318006218 18.998 > 27 29 F 0.37919173665192 0.21343764718549 0.56072318006218 18.998 > 29 30 F 0.87919173665192 0.21343764718549 0.56072318006218 18.998 > 29 31 F 0.12080826334808 0.71343764718549 0.93927681993782 18.998 > 31 32 F 0.62080826334808 0.71343764718549 0.93927681993782 18.998 > 31 33 Si 0.35686055220740 0.91221353108253 0.74120796970273 28.085 > 33 34 Si 0.85686055220740 0.91221353108253 0.74120796970273 28.085 > 33 35 Si 0.14313944779260 0.41221353108253 0.75879203029727 28.085 > 35 36 Si 0.64313944779260 0.41221353108253 0.75879203029727 28.085 > 35 37 Si 0.14313944779260 0.08778646891747 0.25879203029727 28.085 > 37 38 Si 0.64313944779260 0.08778646891747 0.25879203029727 28.085 > 37 39 Si 0.35686055220740 0.58778646891747 0.24120796970273 28.085 > 39 40 Si 0.85686055220740 0.58778646891747 0.24120796970273 28.085 > 39 41 Si 0.43842930106890 0.75720358781887 0.10831681996502 28.085 > 41 42 Si 0.93842930106890 0.75720358781887 0.10831681996502 28.085 > 41 43 Si 0.06157069893109 0.25720358781887 0.39168318003497 28.085 > 43 44 Si 0.56157069893110 0.25720358781887 0.39168318003497 28.085 > 43 45 Si 0.06157069893109 0.24279641218113 0.89168318003498 28.085 > 45 46 Si 0.56157069893110 0.24279641218113 0.89168318003498 28.085 > 45 47 Si 0.43842930106890 0.74279641218113 0.60831681996502 28.085 > 47 48 Si 0.93842930106890 0.74279641218113 0.60831681996502 28.085 > 47 49 Si 0.35638785286893 0.96585624193614 0.20833678750275 28.085 > 49 50 Si 0.85638785286893 0.96585624193614 0.20833678750275 28.085 > 49 51 Si 0.14361214713107 0.46585624193614 0.29166321249726 28.085 > 51 52 Si 0.64361214713107 0.46585624193614 0.29166321249726 28.085 > 51 53 Si 0.14361214713107 0.03414375806386 0.79166321249726 28.085 > 53 54 Si 0.64361214713107 0.03414375806386 0.79166321249726 28.085 > 53 55 Si 0.35638785286893 0.53414375806386 0.70833678750274 28.085 > 55 56 Si 0.85638785286893 0.53414375806386 0.70833678750274 28.085 > 55 57 O 0.17615050255351 0.97560092047499 0.36420785071757 15.999 > 57 58 O 0.67615050255351 0.97560092047499 0.36420785071757 15.999 > 57 59 O 0.32384949744649 0.47560092047498 0.13579214928243 15.999 > 59 60 O 0.82384949744649 0.47560092047498 0.13579214928243 15.999 > 59 61 O 0.32384949744649 0.02439907952502 0.63579214928243 15.999 > 61 62 O 0.82384949744649 0.02439907952502 0.63579214928243 15.999 > 61 63 O 0.17615050255351 0.52439907952501 0.86420785071757 15.999 > 63 64 O 0.67615050255351 0.52439907952501 0.86420785071757 15.999 > 63 65 O 0.42575079439708 0.94864009495499 0.89456155591937 15.999 > 65 66 O 0.92575079439708 0.94864009495499 0.89456155591937 15.999 > 65 67 O 0.07424920560292 0.44864009495499 0.60543844408063 15.999 > 67 68 O 0.57424920560292 0.44864009495499 0.60543844408063 15.999 > 67 69 O 0.07424920560292 0.05135990504501 0.10543844408063 15.999 > 69 70 O 0.57424920560292 0.05135990504501 0.10543844408063 15.999 > 69 71 O 0.42575079439708 0.55135990504501 0.39456155591937 15.999 > 71 72 O 0.92575079439708 0.55135990504501 0.39456155591937 15.999 > 71 73 O 0.24056750645936 0.85533501572058 0.69641074228142 15.999 > 73 74 O 0.74056750645936 0.85533501572058 0.69641074228142 15.999 > 73 75 O 0.25943249354064 0.35533501572058 0.80358925771858 15.999 > 75 76 O 0.75943249354064 0.35533501572058 0.80358925771858 15.999 > 75 77 O 0.25943249354064 0.14466498427942 0.30358925771858 15.999 > 77 78 O 0.75943249354064 0.14466498427942 0.30358925771858 15.999 > 77 79 O 0.24056750645936 0.64466498427942 0.19641074228142 15.999 > 79 80 O 0.74056750645936 0.64466498427942 0.19641074228142 15.999 > 79 81 O 0.44314182817876 0.68086818795245 0.23204772858876 15.999 > 81 82 O 0.94314182817876 0.68086818795245 0.23204772858876 15.999 > 81 83 O 0.05685817182124 0.18086818795245 0.26795227141124 15.999 > 83 84 O 0.55685817182124 0.18086818795245 0.26795227141124 15.999 > 83 85 O 0.05685817182124 0.31913181204755 0.76795227141124 15.999 > 85 86 O 0.55685817182124 0.31913181204755 0.76795227141124 15.999 > 85 87 O 0.44314182817876 0.81913181204755 0.73204772858876 15.999 > 87 88 O 0.94314182817876 0.81913181204755 0.73204772858876 15.999 > 87 89 O 0.35599940246497 0.67947965354593 0.98005011929112 15.999 > 89 90 O 0.85599940246497 0.67947965354593 0.98005011929112 15.999 > 89 91 O 0.14400059753503 0.17947965354593 0.51994988070888 15.999 > 91 92 O 0.64400059753503 0.17947965354593 0.51994988070888 15.999 > 91 93 O 0.14400059753503 0.32052034645407 0.01994988070888 15.999 > 93 94 O 0.64400059753503 0.32052034645407 0.01994988070888 15.999 > 93 95 O 0.35599940246497 0.82052034645407 0.48005011929112 15.999 > 95 96 O 0.85599940246497 0.82052034645407 0.48005011929112 15.999 > 95 97 O 0.05314983758120 0.77567923646433 0.11867889963742 15.999 > 97 98 O 0.55314983758120 0.77567923646433 0.11867889963742 15.999 > 97 99 O 0.44685016241879 0.27567923646433 0.38132110036258 15.999 > 99 100 O 0.94685016241880 0.27567923646433 0.38132110036258 15.999 > 99 101 O 0.44685016241879 0.22432076353567 0.88132110036258 15.999 > 101 102 O 0.94685016241880 0.22432076353567 0.88132110036258 15.999 > 101 103 O 0.05314983758120 0.72432076353567 0.61867889963742 15.999 > 103 104 O 0.55314983758120 0.72432076353567 0.61867889963742 15.999 > 103 105 O 0.40091712686842 0.89613822558352 0.11937094509352 15.999 > 105 106 O 0.90091712686842 0.89613822558352 0.11937094509352 15.999 > 105 107 O 0.09908287313158 0.39613822558352 0.38062905490648 15.999 > 107 108 O 0.59908287313158 0.39613822558352 0.38062905490648 15.999 > 107 109 O 0.09908287313158 0.10386177441648 0.88062905490648 15.999 > 109 110 O 0.59908287313158 0.10386177441648 0.88062905490648 15.999 > 109 111 O 0.40091712686842 0.60386177441648 0.61937094509352 15.999 > 111 112 O 0.90091712686842 0.60386177441648 0.61937094509352 15.999 > 111 113 O 0.25116922158997 0.60363585039136 0.69147579935113 15.999 > 113 114 O 0.75116922158997 0.60363585039136 0.69147579935113 15.999 > 113 115 O 0.24883077841003 0.10363585039136 0.80852420064887 15.999 > 115 116 O 0.74883077841003 0.10363585039136 0.80852420064887 15.999 > 115 117 O 0.24883077841003 0.39636414960864 0.30852420064887 15.999 > 117 118 O 0.74883077841003 0.39636414960864 0.30852420064887 15.999 > 117 119 O 0.25116922158997 0.89636414960864 0.19147579935113 15.999 > 119 120 O 0.75116922158997 0.89636414960864 0.19147579935113 15.999 > 119 121 O 0.44950190042267 0.98040505368711 0.36318017193205 15.999 > 121 122 O 0.94950190042267 0.98040505368711 0.36318017193205 15.999 > 121 123 O 0.05049809957733 0.48040505368711 0.13681982806795 15.999 > 123 124 O 0.55049809957733 0.48040505368711 0.13681982806795 15.999 > 123 125 O 0.05049809957733 0.01959494631289 0.63681982806795 15.999 > 125 126 O 0.55049809957733 0.01959494631289 0.63681982806795 15.999 > 125 127 O 0.44950190042267 0.51959494631289 0.86318017193205 15.999 > 127 128 O 0.94950190042267 0.51959494631289 0.86318017193205 15.999 > 127 129 O 0.17344170243230 0.59415885537943 0.37199444837057 15.999 > 129 130 O 0.67344170243230 0.59415885537943 0.37199444837057 15.999 > 129 131 O 0.32655829756770 0.09415885537943 0.12800555162943 15.999 > 131 132 O 0.82655829756770 0.09415885537943 0.12800555162943 15.999 > 131 133 O 0.32655829756770 0.40584114462057 0.62800555162944 15.999 > 133 134 O 0.82655829756770 0.40584114462057 0.62800555162944 15.999 > 133 135 O 0.17344170243230 0.90584114462057 0.87199444837056 15.999 > 135 136 O 0.67344170243230 0.90584114462057 0.87199444837056 15.999 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3073165 0.0000000 -0.0002938 0.0000000 3.2358467 0.0000000 -0.0002948 0.0000000 3.3615576 -------------------------- Born effective charges -------------------------- 1 Er 3.9586659 0.1698762 -0.1418249 0.1758679 3.4907251 0.0239985 -0.1570158 0.0288159 4.0148964 2 Er 3.9586659 -0.1698762 -0.1418249 -0.1758679 3.4907251 -0.0239985 -0.1570158 -0.0288159 4.0148964 3 Er 3.9586659 0.1698762 -0.1418249 0.1758679 3.4907251 0.0239985 -0.1570158 0.0288159 4.0148964 4 Er 3.9586659 -0.1698762 -0.1418249 -0.1758679 3.4907251 -0.0239985 -0.1570158 -0.0288159 4.0148964 5 Er 3.4553804 -0.2009546 -0.0388795 -0.1237912 4.0960282 -0.1415527 0.0018982 -0.2406854 3.9060318 6 Er 3.4553804 0.2009546 -0.0388795 0.1237912 4.0960282 0.1415527 0.0018982 0.2406854 3.9060318 7 Er 3.4553804 -0.2009546 -0.0388795 -0.1237912 4.0960282 -0.1415527 0.0018982 -0.2406854 3.9060318 8 Er 3.4553804 0.2009546 -0.0388795 0.1237912 4.0960282 0.1415527 0.0018982 0.2406854 3.9060318 9 Er 3.8457245 -0.1507574 0.0159435 -0.1855617 3.5985004 -0.0115890 -0.0172674 -0.0587007 3.9047887 10 Er 3.8457245 0.1507574 0.0159435 0.1855617 3.5985004 0.0115890 -0.0172674 0.0587007 3.9047887 11 Er 3.8457245 -0.1507574 0.0159435 -0.1855617 3.5985004 -0.0115890 -0.0172674 -0.0587007 3.9047887 12 Er 3.8457245 0.1507574 0.0159435 0.1855617 3.5985004 0.0115890 -0.0172674 0.0587007 3.9047887 13 F -1.1599936 -0.1182478 0.3384017 -0.0222191 -1.8862429 -0.1442081 0.3534409 -0.1148462 -1.1079817 14 F -1.1599936 0.1182478 0.3384017 0.0222191 -1.8862429 0.1442081 0.3534409 0.1148462 -1.1079817 15 F -1.1599936 -0.1182478 0.3384017 -0.0222191 -1.8862429 -0.1442081 0.3534409 -0.1148462 -1.1079817 16 F -1.1599936 0.1182478 0.3384017 0.0222191 -1.8862429 0.1442081 0.3534409 0.1148462 -1.1079817 17 Si 3.2412276 -0.1125385 0.2582278 -0.2962746 2.8828604 0.0012475 -0.0735806 0.0608813 3.3385252 18 Si 3.2412276 0.1125385 0.2582278 0.2962746 2.8828604 -0.0012475 -0.0735806 -0.0608813 3.3385252 19 Si 3.2412276 -0.1125385 0.2582278 -0.2962746 2.8828604 0.0012475 -0.0735806 0.0608813 3.3385252 20 Si 3.2412276 0.1125385 0.2582278 0.2962746 2.8828604 -0.0012475 -0.0735806 -0.0608813 3.3385252 21 Si 3.4871533 0.1977608 -0.0724519 0.2996185 3.5700631 0.0132334 0.0711879 0.3155885 3.0097137 22 Si 3.4871533 -0.1977608 -0.0724519 -0.2996185 3.5700631 -0.0132334 0.0711879 -0.3155885 3.0097137 23 Si 3.4871533 0.1977608 -0.0724519 0.2996185 3.5700631 0.0132334 0.0711879 0.3155885 3.0097137 24 Si 3.4871533 -0.1977608 -0.0724519 -0.2996185 3.5700631 -0.0132334 0.0711879 -0.3155885 3.0097137 25 Si 3.3281425 0.2460572 -0.2093647 -0.0446737 3.1211220 0.1531416 -0.0219669 0.1035101 3.3791350 26 Si 3.3281425 -0.2460572 -0.2093647 0.0446737 3.1211220 -0.1531416 -0.0219669 -0.1035101 3.3791350 27 Si 3.3281425 0.2460572 -0.2093647 -0.0446737 3.1211220 0.1531416 -0.0219669 0.1035101 3.3791350 28 Si 3.3281425 -0.2460572 -0.2093647 0.0446737 3.1211220 -0.1531416 -0.0219669 -0.1035101 3.3791350 29 O -1.9197043 -0.0335339 0.2775588 0.0613933 -2.0803367 0.2146470 0.3260628 0.2164741 -2.0723476 30 O -1.9197043 0.0335339 0.2775588 -0.0613933 -2.0803367 -0.2146470 0.3260628 -0.2164741 -2.0723476 31 O -1.9197043 -0.0335339 0.2775588 0.0613933 -2.0803367 0.2146470 0.3260628 0.2164741 -2.0723476 32 O -1.9197043 0.0335339 0.2775588 -0.0613933 -2.0803367 -0.2146470 0.3260628 -0.2164741 -2.0723476 33 O -1.9007248 0.3693743 -0.2793117 0.3584561 -1.5952377 -0.3538881 -0.2732129 -0.3698506 -2.4633119 34 O -1.9007248 -0.3693743 -0.2793117 -0.3584561 -1.5952377 0.3538881 -0.2732129 0.3698506 -2.4633119 35 O -1.9007248 0.3693743 -0.2793117 0.3584561 -1.5952377 -0.3538881 -0.2732129 -0.3698506 -2.4633119 36 O -1.9007248 -0.3693743 -0.2793117 -0.3584561 -1.5952377 0.3538881 -0.2732129 0.3698506 -2.4633119 37 O -2.1235909 -0.3697956 -0.1135571 -0.4164826 -1.8855902 0.4546490 -0.0588137 0.4583049 -1.8492674 38 O -2.1235909 0.3697956 -0.1135571 0.4164826 -1.8855902 -0.4546490 -0.0588137 -0.4583049 -1.8492674 39 O -2.1235909 -0.3697956 -0.1135571 -0.4164826 -1.8855902 0.4546490 -0.0588137 0.4583049 -1.8492674 40 O -2.1235909 0.3697956 -0.1135571 0.4164826 -1.8855902 -0.4546490 -0.0588137 -0.4583049 -1.8492674 41 O -1.9091475 -0.6074162 0.2530857 -0.7443904 -1.8506885 0.4854152 0.3649633 0.4618113 -1.8101786 42 O -1.9091475 0.6074162 0.2530857 0.7443904 -1.8506885 -0.4854152 0.3649633 -0.4618113 -1.8101786 43 O -1.9091475 -0.6074162 0.2530857 -0.7443904 -1.8506885 0.4854152 0.3649633 0.4618113 -1.8101786 44 O -1.9091475 0.6074162 0.2530857 0.7443904 -1.8506885 -0.4854152 0.3649633 -0.4618113 -1.8101786 45 O -1.5245151 -0.0213817 -0.5321256 -0.0357215 -2.1448850 -0.1564097 -0.5980156 -0.2446654 -2.3653239 46 O -1.5245151 0.0213817 -0.5321256 0.0357215 -2.1448850 0.1564097 -0.5980156 0.2446654 -2.3653239 47 O -1.5245151 -0.0213817 -0.5321256 -0.0357215 -2.1448850 -0.1564097 -0.5980156 -0.2446654 -2.3653239 48 O -1.5245151 0.0213817 -0.5321256 0.0357215 -2.1448850 0.1564097 -0.5980156 0.2446654 -2.3653239 49 O -2.5071830 -0.3800922 -0.2332499 -0.3541167 -1.5461027 0.1821744 -0.2338922 0.1759118 -1.9861320 50 O -2.5071830 0.3800922 -0.2332499 0.3541167 -1.5461027 -0.1821744 -0.2338922 -0.1759118 -1.9861320 51 O -2.5071830 -0.3800922 -0.2332499 -0.3541167 -1.5461027 0.1821744 -0.2338922 0.1759118 -1.9861320 52 O -2.5071830 0.3800922 -0.2332499 0.3541167 -1.5461027 -0.1821744 -0.2338922 -0.1759118 -1.9861320 53 O -1.8316979 0.4814361 0.4741221 0.5830588 -2.4413975 -0.2263776 0.4053500 -0.1819821 -1.4313815 54 O -1.8316979 -0.4814361 0.4741221 -0.5830588 -2.4413975 0.2263776 0.4053500 0.1819821 -1.4313815 55 O -1.8316979 0.4814361 0.4741221 0.5830588 -2.4413975 -0.2263776 0.4053500 -0.1819821 -1.4313815 56 O -1.8316979 -0.4814361 0.4741221 -0.5830588 -2.4413975 0.2263776 0.4053500 0.1819821 -1.4313815 57 O -2.3783049 0.5683503 -0.2092352 0.5649104 -1.7091696 -0.1305611 -0.2168503 -0.0415094 -2.0285529 58 O -2.3783049 -0.5683503 -0.2092352 -0.5649104 -1.7091696 0.1305611 -0.2168503 0.0415094 -2.0285529 59 O -2.3783049 0.5683503 -0.2092352 0.5649104 -1.7091696 -0.1305611 -0.2168503 -0.0415094 -2.0285529 60 O -2.3783049 -0.5683503 -0.2092352 -0.5649104 -1.7091696 0.1305611 -0.2168503 0.0415094 -2.0285529 61 O -2.2154476 0.0848760 -0.3196871 0.0896931 -1.2058049 -0.1404717 -0.3559051 -0.2018600 -2.6865625 62 O -2.2154476 -0.0848760 -0.3196871 -0.0896931 -1.2058049 0.1404717 -0.3559051 0.2018600 -2.6865625 63 O -2.2154476 0.0848760 -0.3196871 0.0896931 -1.2058049 -0.1404717 -0.3559051 -0.2018600 -2.6865625 64 O -2.2154476 -0.0848760 -0.3196871 -0.0896931 -1.2058049 0.1404717 -0.3559051 0.2018600 -2.6865625 65 O -1.8459843 -0.1488393 0.5323479 -0.1686207 -2.4138437 -0.1101754 0.4836176 -0.1341483 -1.7520509 66 O -1.8459843 0.1488393 0.5323479 0.1686207 -2.4138437 0.1101754 0.4836176 0.1341483 -1.7520509 67 O -1.8459843 -0.1488393 0.5323479 -0.1686207 -2.4138437 -0.1101754 0.4836176 -0.1341483 -1.7520509 68 O -1.8459843 0.1488393 0.5323479 0.1686207 -2.4138437 0.1101754 0.4836176 0.1341483 -1.7520509 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 301, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 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 1.803 ( 0.000 0.000 0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 2.405 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.974 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.478 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.595 ( 0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.079 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.590 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.149 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.342 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.684 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.892 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.509 ( 0.000 0.000 0.000) 0.000 8.545 ( 0.000 0.000 0.000) 0.000 8.613 ( 0.000 0.000 0.000) 0.000 8.732 ( 0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 8.868 ( 0.000 0.000 0.000) 0.000 8.884 ( 0.000 0.000 0.000) 0.000 9.066 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.267 ( 0.000 0.000 0.000) 0.000 9.269 ( 0.000 0.000 0.000) 0.000 9.368 ( 0.000 0.000 0.000) 0.000 9.465 ( 0.000 0.000 0.000) 0.000 9.482 ( 0.000 0.000 0.000) 0.000 9.638 ( 0.000 0.000 0.000) 0.000 9.663 ( 0.000 0.000 0.000) 0.000 9.988 ( 0.000 0.000 0.000) 0.000 10.182 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.308 ( 0.000 0.000 0.000) 0.000 10.324 ( 0.000 0.000 0.000) 0.000 10.429 ( 0.000 0.000 0.000) 0.000 10.532 ( 0.000 0.000 0.000) 0.000 10.844 ( 0.000 0.000 0.000) 0.000 10.949 ( 0.000 0.000 0.000) 0.000 10.956 ( 0.000 0.000 0.000) 0.000 11.073 ( 0.000 0.000 0.000) 0.000 11.350 ( 0.000 0.000 0.000) 0.000 11.475 ( 0.000 0.000 0.000) 0.000 11.491 ( 0.000 0.000 0.000) 0.000 11.761 ( 0.000 0.000 0.000) 0.000 11.994 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 12.246 ( 0.000 0.000 0.000) 0.000 12.249 ( 0.000 0.000 0.000) 0.000 12.296 ( 0.000 0.000 0.000) 0.000 12.345 ( 0.000 0.000 0.000) 0.000 12.466 ( 0.000 0.000 0.000) 0.000 12.532 ( 0.000 0.000 0.000) 0.000 12.723 ( 0.000 0.000 0.000) 0.000 12.801 ( 0.000 0.000 0.000) 0.000 12.900 ( 0.000 0.000 0.000) 0.000 13.054 ( 0.000 0.000 0.000) 0.000 13.095 ( 0.000 0.000 0.000) 0.000 13.097 ( 0.000 0.000 0.000) 0.000 13.139 ( 0.000 0.000 0.000) 0.000 13.170 ( 0.000 0.000 0.000) 0.000 13.262 ( 0.000 0.000 0.000) 0.000 13.348 ( 0.000 0.000 0.000) 0.000 13.454 ( 0.000 0.000 0.000) 0.000 13.587 ( 0.000 0.000 0.000) 0.000 13.675 ( 0.000 0.000 0.000) 0.000 13.765 ( 0.000 0.000 0.000) 0.000 13.994 ( 0.000 0.000 0.000) 0.000 14.237 ( 0.000 0.000 0.000) 0.000 14.238 ( 0.000 0.000 0.000) 0.000 14.293 ( 0.000 0.000 0.000) 0.000 14.401 ( 0.000 0.000 0.000) 0.000 14.670 ( 0.000 0.000 0.000) 0.000 14.681 ( 0.000 0.000 0.000) 0.000 14.742 ( 0.000 0.000 0.000) 0.000 14.852 ( 0.000 0.000 0.000) 0.000 15.128 ( 0.000 0.000 0.000) 0.000 15.298 ( 0.000 0.000 0.000) 0.000 15.425 ( 0.000 0.000 0.000) 0.000 15.469 ( 0.000 0.000 0.000) 0.000 15.565 ( 0.000 0.000 0.000) 0.000 15.664 ( 0.000 0.000 0.000) 0.000 15.703 ( 0.000 0.000 0.000) 0.000 15.973 ( 0.000 0.000 0.000) 0.000 16.213 ( 0.000 0.000 0.000) 0.000 16.238 ( 0.000 0.000 0.000) 0.000 16.414 ( 0.000 0.000 0.000) 0.000 16.472 ( 0.000 0.000 0.000) 0.000 16.567 ( 0.000 0.000 0.000) 0.000 16.692 ( 0.000 0.000 0.000) 0.000 16.777 ( 0.000 0.000 0.000) 0.000 16.787 ( 0.000 0.000 0.000) 0.000 19.142 ( 0.000 0.000 0.000) 0.000 19.342 ( 0.000 0.000 0.000) 0.000 19.589 ( 0.000 0.000 0.000) 0.000 19.842 ( 0.000 0.000 0.000) 0.000 20.882 ( 0.000 0.000 0.000) 0.000 21.075 ( 0.000 0.000 0.000) 0.000 21.228 ( 0.000 0.000 0.000) 0.000 21.296 ( 0.000 0.000 0.000) 0.000 24.967 ( 0.000 0.000 0.000) 0.000 24.986 ( 0.000 0.000 0.000) 0.000 25.301 ( 0.000 0.000 0.000) 0.000 25.420 ( 0.000 0.000 0.000) 0.000 26.066 ( 0.000 0.000 0.000) 0.000 26.113 ( 0.000 0.000 0.000) 0.000 26.165 ( 0.000 0.000 0.000) 0.000 26.176 ( 0.000 0.000 0.000) 0.000 26.462 ( 0.000 0.000 0.000) 0.000 26.654 ( 0.000 0.000 0.000) 0.000 26.963 ( 0.000 0.000 0.000) 0.000 27.170 ( 0.000 0.000 0.000) 0.000 27.179 ( 0.000 0.000 0.000) 0.000 27.276 ( 0.000 0.000 0.000) 0.000 27.380 ( 0.000 0.000 0.000) 0.000 27.572 ( 0.000 0.000 0.000) 0.000 27.575 ( 0.000 0.000 0.000) 0.000 27.721 ( 0.000 0.000 0.000) 0.000 27.897 ( 0.000 0.000 0.000) 0.000 28.035 ( 0.000 0.000 0.000) 0.000 28.198 ( 0.000 0.000 0.000) 0.000 28.264 ( 0.000 0.000 0.000) 0.000 28.316 ( 0.000 0.000 0.000) 0.000 28.320 ( 0.000 0.000 0.000) 0.000 28.598 ( 0.000 0.000 0.000) 0.000 28.625 ( 0.000 0.000 0.000) 0.000 28.703 ( 0.000 0.000 0.000) 0.000 28.908 ( 0.000 0.000 0.000) 0.000 29.099 ( 0.000 0.000 0.000) 0.000 29.448 ( 0.000 0.000 0.000) 0.000 29.568 ( 0.000 0.000 0.000) 0.000 29.577 ( 0.000 0.000 0.000) 0.000 29.746 ( 0.000 0.000 0.000) 0.000 29.844 ( 0.000 0.000 0.000) 0.000 29.960 ( 0.000 0.000 0.000) 0.000 30.177 ( 0.000 0.000 0.000) 0.000 30.432 ( 0.000 0.000 0.000) 0.000 30.808 ( 0.000 0.000 0.000) 0.000 30.835 ( 0.000 0.000 0.000) 0.000 31.071 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 25.462 0.000 6.330) 26.237 0.606 ( 36.597 0.000 -3.942) 36.808 1.260 ( 45.428 0.000 41.529) 61.550 1.980 ( 10.149 0.000 13.036) 16.521 2.277 ( -0.658 0.000 9.511) 9.534 2.294 ( 2.576 0.000 -7.723) 8.141 2.350 ( 7.209 0.000 3.760) 8.131 2.414 ( -2.060 0.000 3.158) 3.770 2.445 ( 4.210 0.000 -1.445) 4.451 2.479 ( -3.131 0.000 -0.582) 3.185 2.656 ( 2.830 0.000 -11.125) 11.480 2.747 ( -0.852 0.000 -3.620) 3.719 2.761 ( -0.871 0.000 3.236) 3.351 2.839 ( -1.613 0.000 3.974) 4.289 2.840 ( 2.911 0.000 2.110) 3.595 2.897 ( -0.521 0.000 -6.406) 6.427 3.026 ( -2.592 0.000 -6.060) 6.591 3.103 ( 4.198 0.000 5.957) 7.288 3.133 ( -3.233 0.000 0.330) 3.250 3.181 ( -0.321 0.000 -3.106) 3.122 3.236 ( -7.552 0.000 17.473) 19.035 3.328 ( -3.960 0.000 -1.088) 4.107 3.414 ( 1.751 0.000 -3.532) 3.942 3.685 ( -4.582 0.000 0.958) 4.681 3.760 ( 10.478 0.000 6.913) 12.553 3.867 ( 0.815 0.000 1.661) 1.850 3.869 ( -0.221 0.000 -2.255) 2.266 3.897 ( -3.289 0.000 -5.227) 6.176 4.036 ( 4.025 0.000 1.409) 4.264 4.075 ( -3.223 0.000 -2.052) 3.820 4.134 ( 0.794 0.000 -1.138) 1.387 4.192 ( -5.009 0.000 -5.219) 7.234 4.360 ( -2.113 0.000 1.611) 2.657 4.416 ( 4.346 0.000 2.659) 5.095 4.534 ( 0.138 0.000 -0.047) 0.145 4.546 ( -4.030 0.000 -4.946) 6.380 4.651 ( -1.362 0.000 -4.048) 4.271 4.684 ( -2.709 0.000 -2.828) 3.916 4.750 ( -2.593 0.000 6.197) 6.717 4.751 ( 0.768 0.000 6.419) 6.464 4.855 ( 1.181 0.000 -0.704) 1.375 4.951 ( -0.711 0.000 1.131) 1.336 5.117 ( -2.362 0.000 1.500) 2.798 5.174 ( -3.242 0.000 1.776) 3.697 5.259 ( -0.483 0.000 -2.365) 2.414 5.328 ( -1.100 0.000 -9.828) 9.889 5.356 ( 0.112 0.000 -10.004) 10.005 5.476 ( 0.628 0.000 -2.426) 2.506 5.497 ( -4.892 0.000 0.300) 4.901 5.572 ( 1.460 0.000 -2.044) 2.512 5.658 ( 1.126 0.000 3.846) 4.007 5.682 ( -3.257 0.000 -4.381) 5.459 5.886 ( 1.989 0.000 2.232) 2.990 5.963 ( -2.396 0.000 0.952) 2.578 5.979 ( -6.815 0.000 1.025) 6.892 6.027 ( 0.888 0.000 -4.349) 4.439 6.203 ( -1.076 0.000 -2.403) 2.633 6.239 ( 1.692 0.000 8.577) 8.742 6.248 ( -1.201 0.000 1.533) 1.947 6.276 ( 2.467 0.000 -5.961) 6.451 6.378 ( 4.075 0.000 -0.160) 4.078 6.449 ( -8.038 0.000 -3.248) 8.670 6.593 ( -0.667 0.000 2.346) 2.439 6.634 ( -0.174 0.000 1.987) 1.995 6.795 ( -0.761 0.000 -0.668) 1.012 6.992 ( -5.686 0.000 3.112) 6.482 7.087 ( -3.303 0.000 -1.118) 3.487 7.103 ( 12.076 0.000 -5.715) 13.360 7.219 ( 0.055 0.000 -3.636) 3.636 7.350 ( 0.354 0.000 0.107) 0.370 7.498 ( 2.492 0.000 -2.330) 3.412 7.548 ( 3.530 0.000 2.343) 4.237 7.681 ( -4.246 0.000 2.477) 4.916 7.691 ( 0.350 0.000 2.380) 2.406 7.929 ( 1.543 0.000 2.796) 3.194 7.992 ( -6.387 0.000 7.117) 9.562 8.279 ( -15.282 0.000 22.891) 27.523 8.480 ( -6.276 0.000 -0.269) 6.282 8.490 ( -0.832 0.000 0.652) 1.057 8.514 ( -1.014 0.000 0.070) 1.016 8.619 ( 0.825 0.000 -1.077) 1.357 8.766 ( -5.377 0.000 -2.791) 6.059 8.897 ( 1.127 0.000 -1.723) 2.058 8.920 ( 4.883 0.000 -1.522) 5.115 9.043 ( -2.648 0.000 0.073) 2.649 9.070 ( 1.937 0.000 -2.515) 3.174 9.152 ( -9.820 0.000 3.745) 10.510 9.219 ( -5.448 0.000 0.883) 5.519 9.285 ( 2.340 0.000 -2.120) 3.158 9.406 ( -2.440 0.000 -3.664) 4.402 9.562 ( 5.369 0.000 -1.586) 5.598 9.611 ( -2.933 0.000 4.563) 5.424 9.630 ( 14.305 0.000 -21.541) 25.858 9.790 ( 10.239 0.000 -2.442) 10.526 9.979 ( -0.010 0.000 -0.319) 0.319 10.163 ( -2.828 0.000 0.995) 2.998 10.182 ( -1.860 0.000 2.539) 3.148 10.339 ( 3.170 0.000 -2.199) 3.858 10.350 ( 3.045 0.000 -4.548) 5.473 10.426 ( 0.238 0.000 0.632) 0.675 10.724 ( -7.137 0.000 8.932) 11.433 10.852 ( 0.840 0.000 -0.255) 0.877 10.934 ( -1.290 0.000 1.015) 1.641 10.985 ( 2.344 0.000 1.477) 2.770 11.138 ( 3.694 0.000 5.212) 6.388 11.295 ( -4.575 0.000 -3.402) 5.701 11.379 ( -7.085 0.000 -1.988) 7.359 11.434 ( -1.502 0.000 -11.000) 11.102 11.874 ( 3.362 0.000 8.664) 9.294 12.029 ( 2.578 0.000 2.147) 3.355 12.153 ( -3.879 0.000 2.470) 4.599 12.238 ( -2.825 0.000 1.698) 3.296 12.285 ( 1.811 0.000 5.337) 5.636 12.342 ( -0.201 0.000 2.401) 2.409 12.357 ( 1.738 0.000 4.032) 4.391 12.433 ( -0.783 0.000 -1.015) 1.282 12.599 ( 4.054 0.000 -0.406) 4.074 12.698 ( -3.560 0.000 2.380) 4.282 12.792 ( 0.449 0.000 -0.347) 0.567 12.930 ( 1.457 0.000 -3.896) 4.159 12.987 ( -7.108 0.000 2.472) 7.525 13.069 ( -0.982 0.000 -2.068) 2.290 13.106 ( 1.918 0.000 -0.705) 2.043 13.161 ( 1.695 0.000 -2.952) 3.404 13.267 ( 1.757 0.000 0.693) 1.889 13.280 ( 1.190 0.000 2.004) 2.330 13.450 ( 0.255 0.000 -0.201) 0.325 13.597 ( 0.451 0.000 10.676) 10.685 13.628 ( 1.944 0.000 3.582) 4.075 13.669 ( -8.410 0.000 -2.038) 8.653 13.740 ( 4.421 0.000 3.385) 5.568 13.913 ( -8.102 0.000 1.855) 8.311 14.262 ( 2.446 0.000 1.904) 3.099 14.378 ( 6.092 0.000 -0.714) 6.133 14.378 ( -0.592 0.000 -2.236) 2.313 14.478 ( -1.910 0.000 4.818) 5.182 14.610 ( -4.936 0.000 -4.444) 6.642 14.683 ( 0.556 0.000 -1.970) 2.046 14.857 ( -1.838 0.000 3.840) 4.258 14.870 ( 7.485 0.000 -22.548) 23.757 15.147 ( 2.510 0.000 -2.229) 3.357 15.288 ( -0.932 0.000 -0.767) 1.208 15.417 ( 0.679 0.000 -2.468) 2.560 15.480 ( -1.649 0.000 4.533) 4.824 15.514 ( -1.578 0.000 -7.185) 7.356 15.628 ( -1.490 0.000 -2.389) 2.816 15.800 ( 14.939 0.000 -26.147) 30.114 15.978 ( -3.557 0.000 5.782) 6.789 16.182 ( -0.613 0.000 -0.973) 1.150 16.200 ( -0.954 0.000 -4.900) 4.992 16.448 ( -7.062 0.000 4.230) 8.231 16.464 ( 2.919 0.000 2.115) 3.605 16.588 ( 1.575 0.000 3.977) 4.278 16.842 ( 5.790 0.000 0.408) 5.804 16.889 ( 9.284 0.000 -1.252) 9.368 16.907 ( 8.361 0.000 -3.316) 8.995 19.327 ( -0.810 0.000 -0.739) 1.097 19.347 ( 6.630 0.000 -16.543) 17.822 19.591 ( -0.253 0.000 0.571) 0.625 19.828 ( -0.818 0.000 -1.389) 1.612 20.908 ( 2.159 0.000 1.143) 2.442 21.093 ( 2.758 0.000 -1.700) 3.240 21.280 ( -2.201 0.000 0.604) 2.282 21.389 ( -8.281 0.000 9.949) 12.944 24.990 ( 0.493 0.000 0.243) 0.550 25.006 ( -2.697 0.000 8.056) 8.495 25.367 ( 3.754 0.000 5.673) 6.803 25.435 ( 1.299 0.000 0.492) 1.389 26.014 ( -0.592 0.000 -4.721) 4.758 26.125 ( 0.400 0.000 -5.958) 5.971 26.166 ( 1.115 0.000 3.816) 3.975 26.202 ( -1.014 0.000 3.902) 4.032 26.705 ( 2.885 0.000 4.183) 5.081 26.962 ( -0.724 0.000 2.314) 2.425 27.081 ( 1.615 0.000 -3.960) 4.277 27.187 ( 5.085 0.000 -4.746) 6.956 27.198 ( 2.818 0.000 -1.901) 3.399 27.283 ( -3.141 0.000 5.150) 6.032 27.374 ( 0.939 0.000 -1.870) 2.092 27.554 ( -1.074 0.000 -0.727) 1.297 27.591 ( 1.526 0.000 0.016) 1.526 27.683 ( -1.645 0.000 -3.030) 3.448 27.931 ( 0.138 0.000 4.279) 4.281 28.156 ( -2.380 0.000 -2.501) 3.453 28.214 ( -3.052 0.000 -3.787) 4.863 28.277 ( 0.825 0.000 -1.838) 2.014 28.378 ( 0.930 0.000 2.214) 2.401 28.416 ( -8.041 0.000 21.329) 22.795 28.603 ( -1.398 0.000 3.939) 4.180 28.656 ( -3.727 0.000 -1.435) 3.994 28.867 ( -2.349 0.000 -0.945) 2.532 29.036 ( 3.818 0.000 -0.634) 3.870 29.038 ( -4.603 0.000 -2.967) 5.477 29.351 ( -10.734 0.000 -1.367) 10.821 29.564 ( -4.912 0.000 0.584) 4.947 29.632 ( 4.815 0.000 2.794) 5.567 29.820 ( -0.120 0.000 -1.494) 1.499 29.960 ( -1.821 0.000 2.951) 3.468 30.132 ( -3.831 0.000 3.058) 4.902 30.511 ( 7.638 0.000 -0.497) 7.654 30.776 ( -3.404 0.000 -5.763) 6.693 30.928 ( 10.737 0.000 2.770) 11.089 31.006 ( -5.753 0.000 -1.138) 5.864 31.721 ( 5.168 0.000 -7.935) 9.469 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 22.731 0.000 4.200) 23.115 1.160 ( 31.415 0.000 -3.720) 31.634 2.219 ( -1.487 0.000 -2.015) 2.504 2.223 ( -6.387 0.000 -0.405) 6.400 2.292 ( 10.264 0.000 12.742) 16.362 2.294 ( -10.069 0.000 -7.191) 12.373 2.324 ( 17.562 0.000 0.398) 17.566 2.384 ( -3.350 0.000 -1.115) 3.530 2.390 ( 4.776 0.000 4.917) 6.854 2.545 ( -0.405 0.000 -10.927) 10.935 2.637 ( 12.368 0.000 7.717) 14.578 2.735 ( -9.463 0.000 3.647) 10.141 2.739 ( 3.394 0.000 -2.580) 4.264 2.810 ( -3.845 0.000 0.027) 3.845 2.876 ( 5.822 0.000 0.494) 5.843 2.887 ( 1.242 0.000 -1.118) 1.671 2.944 ( -1.155 0.000 -1.805) 2.143 3.061 ( -11.870 0.000 0.275) 11.873 3.077 ( 0.704 0.000 -8.147) 8.177 3.214 ( 2.162 0.000 4.075) 4.613 3.294 ( 2.138 0.000 6.677) 7.011 3.387 ( 2.862 0.000 -2.926) 4.093 3.405 ( 2.463 0.000 12.638) 12.876 3.619 ( -3.640 0.000 0.260) 3.650 3.812 ( 2.180 0.000 -4.352) 4.867 3.812 ( -2.475 0.000 -3.701) 4.452 3.892 ( -4.222 0.000 1.058) 4.353 3.988 ( 3.131 0.000 5.978) 6.748 4.034 ( -0.699 0.000 -4.267) 4.324 4.108 ( 7.689 0.000 6.321) 9.954 4.151 ( 7.015 0.000 2.066) 7.313 4.193 ( 1.949 0.000 3.350) 3.876 4.347 ( -1.146 0.000 1.637) 1.998 4.413 ( -3.477 0.000 -4.648) 5.805 4.527 ( -1.465 0.000 -4.050) 4.307 4.542 ( 4.605 0.000 2.241) 5.122 4.589 ( -3.185 0.000 4.234) 5.298 4.591 ( -0.515 0.000 -6.106) 6.128 4.720 ( -7.542 0.000 2.031) 7.811 4.737 ( -8.329 0.000 5.933) 10.226 4.903 ( 0.950 0.000 -1.327) 1.632 4.937 ( 1.632 0.000 4.557) 4.841 5.086 ( -1.838 0.000 -0.934) 2.061 5.158 ( -4.389 0.000 3.583) 5.666 5.183 ( -0.210 0.000 -8.549) 8.551 5.249 ( 1.167 0.000 -9.136) 9.210 5.276 ( 1.815 0.000 -2.365) 2.981 5.421 ( -3.292 0.000 0.946) 3.426 5.426 ( -0.884 0.000 -5.143) 5.219 5.576 ( 0.527 0.000 0.257) 0.586 5.614 ( -2.622 0.000 -1.566) 3.054 5.710 ( 0.933 0.000 1.609) 1.860 5.851 ( -6.508 0.000 -1.093) 6.599 5.867 ( -6.672 0.000 3.105) 7.359 5.978 ( 2.553 0.000 -1.923) 3.196 6.003 ( 0.924 0.000 -6.242) 6.310 6.136 ( -1.005 0.000 -2.461) 2.658 6.250 ( -1.575 0.000 -1.128) 1.937 6.263 ( -0.645 0.000 4.132) 4.182 6.297 ( -2.098 0.000 -4.635) 5.088 6.370 ( 3.150 0.000 7.410) 8.052 6.434 ( 2.772 0.000 -1.378) 3.095 6.613 ( -1.537 0.000 4.859) 5.096 6.617 ( -2.792 0.000 -1.826) 3.336 6.767 ( -1.469 0.000 -0.732) 1.642 6.878 ( -7.019 0.000 -0.638) 7.048 7.090 ( 0.865 0.000 2.851) 2.980 7.170 ( -1.177 0.000 -3.729) 3.910 7.234 ( 4.763 0.000 0.169) 4.766 7.345 ( 0.667 0.000 -1.497) 1.638 7.493 ( -0.084 0.000 -2.656) 2.658 7.593 ( -2.869 0.000 6.331) 6.951 7.694 ( 2.395 0.000 2.759) 3.653 7.748 ( 2.534 0.000 2.935) 3.877 7.953 ( -0.170 0.000 -2.926) 2.931 7.972 ( -0.674 0.000 3.694) 3.755 8.240 ( -7.508 0.000 8.199) 11.117 8.334 ( -8.601 0.000 -1.269) 8.694 8.459 ( -3.694 0.000 -0.435) 3.720 8.491 ( -2.163 0.000 2.178) 3.070 8.557 ( -3.641 0.000 -4.883) 6.091 8.700 ( -0.751 0.000 -0.227) 0.785 8.895 ( 1.274 0.000 -2.918) 3.184 8.960 ( -5.768 0.000 -1.990) 6.102 8.997 ( -3.344 0.000 2.557) 4.210 9.008 ( 4.445 0.000 -4.671) 6.448 9.102 ( -6.562 0.000 -0.745) 6.604 9.114 ( -0.790 0.000 1.027) 1.296 9.309 ( 1.930 0.000 0.432) 1.978 9.352 ( -0.685 0.000 -2.021) 2.134 9.612 ( 0.828 0.000 1.084) 1.364 9.626 ( -0.605 0.000 4.466) 4.507 9.662 ( 5.821 0.000 -6.992) 9.098 9.902 ( 6.501 0.000 -5.358) 8.424 10.001 ( 2.443 0.000 0.535) 2.501 10.121 ( -3.061 0.000 0.483) 3.099 10.216 ( 1.534 0.000 1.848) 2.402 10.300 ( -1.351 0.000 -4.291) 4.498 10.347 ( 1.481 0.000 -3.660) 3.948 10.454 ( 2.080 0.000 -1.300) 2.453 10.702 ( -3.234 0.000 5.489) 6.371 10.866 ( 1.241 0.000 0.104) 1.245 10.943 ( 0.922 0.000 0.840) 1.247 11.070 ( 4.967 0.000 2.911) 5.757 11.145 ( -7.324 0.000 -4.134) 8.411 11.219 ( -4.765 0.000 -8.138) 9.430 11.272 ( 3.913 0.000 6.850) 7.889 11.307 ( -2.002 0.000 -7.767) 8.021 12.004 ( 4.739 0.000 0.555) 4.771 12.107 ( -3.299 0.000 3.040) 4.486 12.113 ( 3.334 0.000 3.242) 4.651 12.184 ( -4.467 0.000 1.698) 4.779 12.375 ( 3.121 0.000 4.725) 5.663 12.388 ( 1.930 0.000 1.747) 2.603 12.459 ( 2.854 0.000 3.791) 4.746 12.476 ( 3.126 0.000 9.619) 10.114 12.608 ( -1.003 0.000 -1.790) 2.052 12.670 ( -3.675 0.000 4.747) 6.004 12.841 ( 3.255 0.000 2.198) 3.928 12.866 ( -4.435 0.000 -2.230) 4.964 12.937 ( 0.623 0.000 -2.116) 2.206 13.042 ( 0.891 0.000 -2.523) 2.675 13.083 ( -6.693 0.000 3.506) 7.556 13.175 ( 6.400 0.000 -5.160) 8.221 13.281 ( -2.424 0.000 0.172) 2.430 13.336 ( 4.915 0.000 -5.320) 7.243 13.477 ( 2.096 0.000 1.884) 2.818 13.492 ( -6.625 0.000 -0.628) 6.655 13.689 ( 0.025 0.000 0.295) 0.296 13.695 ( 2.965 0.000 1.654) 3.395 13.825 ( -2.627 0.000 3.047) 4.023 13.861 ( 5.377 0.000 1.705) 5.641 14.275 ( -7.780 0.000 -7.945) 11.120 14.293 ( -3.524 0.000 -1.292) 3.754 14.413 ( -4.319 0.000 4.333) 6.117 14.489 ( -2.703 0.000 5.419) 6.055 14.516 ( 1.369 0.000 -0.013) 1.369 14.634 ( 0.151 0.000 -0.471) 0.495 14.859 ( -0.305 0.000 -0.346) 0.461 14.880 ( 8.902 0.000 -8.410) 12.246 15.172 ( 1.956 0.000 0.827) 2.124 15.231 ( -2.082 0.000 -5.888) 6.246 15.412 ( 1.574 0.000 -1.882) 2.454 15.427 ( -0.162 0.000 -4.020) 4.023 15.491 ( -2.934 0.000 5.213) 5.982 15.576 ( -2.425 0.000 -1.148) 2.683 15.792 ( 5.731 0.000 -10.670) 12.112 15.964 ( -4.114 0.000 4.945) 6.433 16.130 ( -0.150 0.000 -6.178) 6.180 16.219 ( 3.740 0.000 2.811) 4.679 16.366 ( -6.082 0.000 2.085) 6.429 16.521 ( 0.372 0.000 2.982) 3.006 16.694 ( 5.396 0.000 3.317) 6.334 16.951 ( 5.065 0.000 1.899) 5.410 17.004 ( 5.755 0.000 -3.278) 6.623 17.026 ( 7.785 0.000 -2.132) 8.071 19.295 ( 1.337 0.000 -6.695) 6.827 19.322 ( 0.889 0.000 0.498) 1.019 19.585 ( -1.459 0.000 1.043) 1.794 19.786 ( -1.774 0.000 -2.458) 3.031 20.968 ( 2.658 0.000 1.888) 3.260 21.120 ( 2.932 0.000 -3.093) 4.262 21.233 ( -3.744 0.000 0.470) 3.773 21.333 ( -4.940 0.000 1.995) 5.327 25.008 ( 0.835 0.000 0.908) 1.233 25.047 ( 0.041 0.000 4.285) 4.286 25.467 ( 1.437 0.000 0.677) 1.589 25.517 ( 4.621 0.000 8.472) 9.650 25.969 ( 0.098 0.000 -3.494) 3.495 26.070 ( -0.166 0.000 -5.140) 5.143 26.206 ( 0.050 0.000 2.297) 2.297 26.217 ( -0.939 0.000 2.596) 2.761 26.770 ( -0.058 0.000 0.478) 0.482 27.051 ( 6.347 0.000 8.674) 10.748 27.067 ( -2.712 0.000 3.436) 4.377 27.197 ( -1.151 0.000 -1.987) 2.296 27.255 ( 8.196 0.000 -4.766) 9.481 27.292 ( 2.227 0.000 -1.007) 2.444 27.413 ( 4.030 0.000 1.541) 4.315 27.534 ( -0.872 0.000 0.277) 0.915 27.604 ( -0.600 0.000 -0.157) 0.621 27.624 ( -0.976 0.000 -3.619) 3.748 27.981 ( 0.967 0.000 5.326) 5.413 28.083 ( -2.880 0.000 -4.852) 5.642 28.098 ( -2.820 0.000 -6.327) 6.927 28.306 ( 2.702 0.000 0.041) 2.702 28.374 ( -2.167 0.000 -0.559) 2.238 28.474 ( -1.782 0.000 6.036) 6.294 28.583 ( -2.938 0.000 0.097) 2.940 28.631 ( -1.119 0.000 5.060) 5.182 28.828 ( -2.927 0.000 2.407) 3.790 28.902 ( -5.936 0.000 -5.694) 8.225 29.057 ( -1.135 0.000 -1.312) 1.735 29.078 ( -15.957 0.000 -4.421) 16.558 29.472 ( -5.229 0.000 0.792) 5.289 29.731 ( 4.988 0.000 -1.847) 5.319 29.871 ( 2.647 0.000 8.096) 8.518 29.956 ( -2.014 0.000 3.124) 3.717 30.112 ( -1.088 0.000 1.415) 1.785 30.587 ( 1.612 0.000 -7.306) 7.482 30.614 ( -5.841 0.000 -7.679) 9.648 30.937 ( -0.083 0.000 2.727) 2.729 31.172 ( 12.122 0.000 4.217) 12.835 31.729 ( 1.880 0.000 -3.012) 3.551 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 17.523 0.000 0.218) 17.524 1.570 ( 19.222 0.000 -4.098) 19.654 1.844 ( -15.696 0.000 -19.667) 25.163 2.021 ( -10.832 0.000 -6.142) 12.453 2.033 ( -14.757 0.000 -4.750) 15.503 2.178 ( -4.638 0.000 -15.438) 16.120 2.196 ( -0.934 0.000 -3.690) 3.806 2.418 ( 2.844 0.000 0.423) 2.875 2.515 ( -5.959 0.000 0.829) 6.017 2.679 ( 1.150 0.000 2.076) 2.373 2.690 ( 7.575 0.000 -12.855) 14.921 2.748 ( -5.923 0.000 5.270) 7.928 2.752 ( -1.097 0.000 4.193) 4.334 2.821 ( -9.298 0.000 4.733) 10.433 2.881 ( -0.622 0.000 -1.907) 2.006 2.902 ( -0.929 0.000 -6.376) 6.444 2.956 ( 0.868 0.000 6.071) 6.133 3.063 ( 5.134 0.000 -1.172) 5.266 3.126 ( 12.082 0.000 9.541) 15.395 3.308 ( 5.110 0.000 1.312) 5.276 3.428 ( 9.918 0.000 6.151) 11.670 3.477 ( 1.825 0.000 4.019) 4.414 3.555 ( -1.261 0.000 -3.712) 3.921 3.559 ( 3.783 0.000 4.788) 6.102 3.762 ( -1.967 0.000 2.019) 2.819 3.807 ( 1.204 0.000 1.857) 2.213 3.909 ( 7.574 0.000 -1.283) 7.682 4.030 ( -0.277 0.000 1.787) 1.808 4.062 ( -0.561 0.000 5.586) 5.614 4.168 ( -0.237 0.000 -2.233) 2.246 4.254 ( -8.921 0.000 -2.888) 9.377 4.284 ( 4.066 0.000 -1.136) 4.222 4.351 ( 3.455 0.000 -6.455) 7.321 4.362 ( 3.673 0.000 6.959) 7.869 4.432 ( -1.829 0.000 0.450) 1.884 4.510 ( -4.598 0.000 0.173) 4.601 4.607 ( -7.612 0.000 4.454) 8.819 4.631 ( 2.541 0.000 1.748) 3.084 4.667 ( 0.603 0.000 0.084) 0.609 4.698 ( 2.256 0.000 6.415) 6.800 4.892 ( 1.571 0.000 0.435) 1.630 5.028 ( -1.324 0.000 -2.341) 2.689 5.056 ( 1.469 0.000 4.766) 4.987 5.079 ( -1.651 0.000 -1.988) 2.584 5.098 ( -3.598 0.000 -2.814) 4.568 5.213 ( -1.303 0.000 -1.361) 1.884 5.314 ( 3.773 0.000 0.818) 3.860 5.362 ( -0.671 0.000 -4.715) 4.763 5.435 ( 2.464 0.000 -0.517) 2.518 5.530 ( -4.962 0.000 -0.662) 5.006 5.600 ( 0.469 0.000 2.657) 2.698 5.699 ( -2.086 0.000 -2.120) 2.974 5.700 ( -7.201 0.000 -3.192) 7.877 5.838 ( -1.745 0.000 5.492) 5.763 5.945 ( 1.705 0.000 -7.631) 7.819 5.950 ( -0.986 0.000 -2.623) 2.802 6.164 ( 3.669 0.000 -0.699) 3.735 6.196 ( -4.278 0.000 4.060) 5.898 6.306 ( 4.040 0.000 -2.218) 4.609 6.309 ( 0.971 0.000 4.588) 4.690 6.438 ( -0.264 0.000 -2.110) 2.126 6.479 ( 2.671 0.000 2.371) 3.571 6.503 ( -5.796 0.000 -3.305) 6.672 6.638 ( -1.140 0.000 5.345) 5.465 6.739 ( -1.236 0.000 0.348) 1.284 6.770 ( -3.380 0.000 -2.992) 4.514 7.106 ( -1.438 0.000 0.517) 1.528 7.108 ( -1.255 0.000 -3.297) 3.527 7.274 ( 0.367 0.000 0.140) 0.392 7.372 ( 2.416 0.000 0.920) 2.586 7.456 ( -0.119 0.000 -3.292) 3.294 7.603 ( -3.407 0.000 6.047) 6.940 7.780 ( 4.078 0.000 2.207) 4.637 7.823 ( 2.884 0.000 2.286) 3.680 7.927 ( 1.312 0.000 -4.750) 4.928 7.978 ( -2.866 0.000 3.702) 4.682 8.176 ( -6.530 0.000 3.503) 7.411 8.199 ( -4.063 0.000 -2.127) 4.586 8.381 ( 0.050 0.000 -4.288) 4.289 8.476 ( -3.162 0.000 -0.855) 3.276 8.514 ( 0.316 0.000 6.040) 6.049 8.637 ( -6.064 0.000 -0.971) 6.142 8.810 ( -4.817 0.000 -7.483) 8.899 8.866 ( -0.320 0.000 -2.587) 2.607 8.972 ( -2.305 0.000 1.102) 2.555 9.011 ( -0.889 0.000 -0.997) 1.336 9.074 ( 2.139 0.000 1.949) 2.894 9.128 ( 2.670 0.000 -1.994) 3.333 9.328 ( -0.748 0.000 -0.499) 0.899 9.360 ( 0.768 0.000 4.003) 4.076 9.583 ( -0.938 0.000 -2.936) 3.082 9.663 ( 0.024 0.000 2.715) 2.715 9.730 ( 3.831 0.000 0.840) 3.922 9.924 ( 3.570 0.000 -5.050) 6.185 10.050 ( 0.203 0.000 0.793) 0.819 10.073 ( -0.801 0.000 -0.211) 0.828 10.138 ( -5.072 0.000 -3.725) 6.293 10.326 ( -0.001 0.000 -3.110) 3.110 10.353 ( 4.148 0.000 2.974) 5.104 10.460 ( 1.116 0.000 -2.450) 2.692 10.714 ( -0.986 0.000 2.911) 3.073 10.903 ( 2.017 0.000 0.957) 2.233 10.966 ( 0.897 0.000 0.271) 0.937 10.990 ( -5.271 0.000 -3.762) 6.476 11.100 ( -1.018 0.000 -4.102) 4.227 11.197 ( -2.633 0.000 -6.054) 6.602 11.199 ( 6.430 0.000 1.873) 6.697 11.374 ( 0.470 0.000 4.298) 4.324 12.023 ( -0.756 0.000 -0.368) 0.841 12.108 ( -2.836 0.000 0.113) 2.838 12.133 ( 2.356 0.000 1.263) 2.673 12.231 ( 3.816 0.000 4.492) 5.893 12.434 ( 0.964 0.000 0.991) 1.383 12.494 ( 5.703 0.000 2.138) 6.091 12.562 ( 1.642 0.000 3.147) 3.549 12.573 ( 0.020 0.000 1.470) 1.470 12.615 ( 0.354 0.000 10.000) 10.007 12.667 ( -1.863 0.000 4.769) 5.119 12.771 ( -4.774 0.000 -0.739) 4.831 12.908 ( 0.580 0.000 2.894) 2.952 12.934 ( 2.361 0.000 -3.798) 4.472 13.028 ( -1.408 0.000 1.449) 2.020 13.051 ( 3.369 0.000 -3.160) 4.619 13.205 ( -6.533 0.000 -6.252) 9.042 13.216 ( -5.221 0.000 1.134) 5.342 13.230 ( 2.858 0.000 -1.818) 3.387 13.522 ( 5.540 0.000 -4.295) 7.010 13.555 ( 3.039 0.000 4.597) 5.510 13.658 ( -1.064 0.000 1.973) 2.242 13.732 ( 1.337 0.000 -1.379) 1.921 13.872 ( 3.282 0.000 1.021) 3.437 13.922 ( 1.023 0.000 -4.183) 4.306 14.025 ( -7.531 0.000 -6.677) 10.064 14.119 ( -8.558 0.000 -5.211) 10.020 14.404 ( -5.701 0.000 9.202) 10.825 14.486 ( -2.353 0.000 3.134) 3.919 14.596 ( 3.830 0.000 3.538) 5.214 14.695 ( 2.044 0.000 4.603) 5.036 14.823 ( -0.483 0.000 -5.907) 5.926 14.926 ( 4.738 0.000 -6.577) 8.105 15.141 ( -1.032 0.000 -4.256) 4.379 15.244 ( 3.909 0.000 1.785) 4.298 15.428 ( 1.340 0.000 0.699) 1.511 15.431 ( 1.068 0.000 0.035) 1.069 15.490 ( -2.010 0.000 4.118) 4.582 15.526 ( -1.699 0.000 -1.692) 2.398 15.788 ( 2.409 0.000 -4.083) 4.740 15.942 ( -2.520 0.000 2.502) 3.551 16.080 ( 0.355 0.000 -4.143) 4.158 16.282 ( -4.584 0.000 0.029) 4.584 16.341 ( 4.576 0.000 5.325) 7.021 16.529 ( -1.711 0.000 0.839) 1.905 16.812 ( 4.485 0.000 2.248) 5.017 17.017 ( 0.877 0.000 -4.326) 4.414 17.042 ( 2.708 0.000 2.275) 3.537 17.114 ( 4.810 0.000 -2.372) 5.363 19.268 ( 0.872 0.000 -2.524) 2.671 19.365 ( 1.996 0.000 2.004) 2.829 19.564 ( -1.793 0.000 0.770) 1.951 19.724 ( -1.917 0.000 -2.696) 3.308 21.025 ( 1.530 0.000 1.806) 2.367 21.130 ( 2.189 0.000 -3.449) 4.085 21.172 ( -3.718 0.000 0.850) 3.814 21.271 ( -2.590 0.000 -0.654) 2.671 25.031 ( 0.570 0.000 0.826) 1.004 25.085 ( 0.437 0.000 2.004) 2.051 25.492 ( 0.686 0.000 0.484) 0.839 25.667 ( 2.943 0.000 6.870) 7.474 25.946 ( 0.263 0.000 -1.821) 1.840 26.023 ( -0.276 0.000 -3.074) 3.086 26.219 ( -0.380 0.000 1.180) 1.240 26.225 ( -0.406 0.000 1.253) 1.317 26.739 ( -1.140 0.000 -2.259) 2.531 27.062 ( -2.466 0.000 4.631) 5.247 27.149 ( -0.337 0.000 -3.744) 3.759 27.295 ( 6.253 0.000 11.851) 13.400 27.335 ( 3.421 0.000 -0.423) 3.447 27.353 ( 7.678 0.000 -3.882) 8.604 27.470 ( -2.350 0.000 2.339) 3.315 27.569 ( 4.655 0.000 3.197) 5.647 27.572 ( -2.189 0.000 -0.454) 2.236 27.590 ( 1.887 0.000 -2.883) 3.446 27.941 ( -3.611 0.000 -8.850) 9.559 28.030 ( -1.447 0.000 -2.256) 2.680 28.081 ( 3.007 0.000 6.426) 7.095 28.287 ( -3.032 0.000 -4.414) 5.355 28.372 ( 2.528 0.000 1.382) 2.881 28.484 ( -0.269 0.000 1.955) 1.973 28.563 ( -0.634 0.000 -0.023) 0.635 28.638 ( -2.680 0.000 0.734) 2.778 28.717 ( -8.466 0.000 -4.903) 9.784 28.795 ( -9.169 0.000 -4.058) 10.027 28.816 ( -1.856 0.000 3.442) 3.911 28.970 ( -4.370 0.000 -4.330) 6.152 29.427 ( -1.780 0.000 1.794) 2.527 29.793 ( 4.649 0.000 -1.320) 4.833 29.955 ( -0.973 0.000 1.813) 2.058 30.015 ( 1.414 0.000 10.043) 10.142 30.113 ( -0.362 0.000 0.929) 0.997 30.403 ( -6.891 0.000 -5.204) 8.635 30.503 ( -1.216 0.000 -9.778) 9.854 31.029 ( 4.149 0.000 3.380) 5.351 31.394 ( 8.167 0.000 3.632) 8.939 31.719 ( -0.233 0.000 -1.729) 1.745 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.000 0.000 -0.000) 0.000 1.560 ( -0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 0.000) 0.000 2.194 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.748 ( 0.000 0.000 -0.000) 0.000 2.754 ( 0.000 0.000 -0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 -0.000) 0.000 3.002 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 -0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.391 ( -0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.666 ( -0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.982 ( -0.000 0.000 -0.000) 0.000 4.057 ( -0.000 0.000 -0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 -0.000) 0.000 4.130 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.346 ( -0.000 0.000 -0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.563 ( -0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.958 ( -0.000 0.000 -0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 -0.000) 0.000 5.043 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 -0.000) 0.000 5.178 ( 0.000 0.000 -0.000) 0.000 5.328 ( -0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 -0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 5.926 ( 0.000 0.000 0.000) 0.000 6.184 ( 0.000 0.000 -0.000) 0.000 6.196 ( 0.000 0.000 0.000) 0.000 6.344 ( -0.000 0.000 0.000) 0.000 6.373 ( -0.000 0.000 -0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.678 ( 0.000 0.000 -0.000) 0.000 6.705 ( 0.000 0.000 0.000) 0.000 6.733 ( 0.000 0.000 -0.000) 0.000 7.079 ( 0.000 0.000 -0.000) 0.000 7.087 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 -0.000) 0.000 7.436 ( 0.000 0.000 0.000) 0.000 7.602 ( 0.000 0.000 0.000) 0.000 7.840 ( 0.000 0.000 0.000) 0.000 7.870 ( 0.000 0.000 -0.000) 0.000 7.905 ( 0.000 0.000 0.000) 0.000 7.963 ( 0.000 0.000 0.000) 0.000 8.134 ( 0.000 0.000 -0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 -0.000) 0.000 8.415 ( -0.000 0.000 0.000) 0.000 8.556 ( 0.000 0.000 0.000) 0.000 8.587 ( 0.000 0.000 0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000 8.852 ( 0.000 0.000 0.000) 0.000 8.956 ( 0.000 0.000 -0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 9.116 ( 0.000 0.000 0.000) 0.000 9.141 ( 0.000 0.000 0.000) 0.000 9.318 ( 0.000 0.000 -0.000) 0.000 9.391 ( 0.000 0.000 -0.000) 0.000 9.559 ( 0.000 0.000 0.000) 0.000 9.674 ( 0.000 0.000 0.000) 0.000 9.771 ( 0.000 0.000 0.000) 0.000 9.939 ( 0.000 0.000 0.000) 0.000 10.021 ( 0.000 0.000 -0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.094 ( 0.000 0.000 0.000) 0.000 10.303 ( 0.000 0.000 0.000) 0.000 10.418 ( 0.000 0.000 0.000) 0.000 10.451 ( 0.000 0.000 0.000) 0.000 10.718 ( 0.000 0.000 0.000) 0.000 10.918 ( 0.000 0.000 0.000) 0.000 10.930 ( -0.000 0.000 0.000) 0.000 10.976 ( 0.000 0.000 -0.000) 0.000 11.094 ( 0.000 0.000 0.000) 0.000 11.119 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.382 ( 0.000 0.000 0.000) 0.000 12.012 ( 0.000 0.000 0.000) 0.000 12.084 ( 0.000 0.000 0.000) 0.000 12.166 ( 0.000 0.000 0.000) 0.000 12.309 ( 0.000 0.000 0.000) 0.000 12.429 ( 0.000 0.000 -0.000) 0.000 12.564 ( 0.000 0.000 0.000) 0.000 12.570 ( 0.000 0.000 -0.000) 0.000 12.617 ( 0.000 0.000 -0.000) 0.000 12.674 ( 0.000 0.000 0.000) 0.000 12.695 ( -0.000 0.000 0.000) 0.000 12.698 ( 0.000 0.000 -0.000) 0.000 12.919 ( 0.000 0.000 0.000) 0.000 12.936 ( 0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.077 ( 0.000 0.000 0.000) 0.000 13.103 ( 0.000 0.000 -0.000) 0.000 13.161 ( 0.000 0.000 0.000) 0.000 13.246 ( 0.000 0.000 0.000) 0.000 13.527 ( 0.000 0.000 -0.000) 0.000 13.651 ( 0.000 0.000 0.000) 0.000 13.689 ( 0.000 0.000 0.000) 0.000 13.706 ( -0.000 0.000 -0.000) 0.000 13.827 ( 0.000 0.000 0.000) 0.000 13.939 ( 0.000 0.000 0.000) 0.000 13.971 ( 0.000 0.000 0.000) 0.000 13.980 ( 0.000 0.000 0.000) 0.000 14.399 ( 0.000 0.000 0.000) 0.000 14.480 ( 0.000 0.000 0.000) 0.000 14.674 ( 0.000 0.000 0.000) 0.000 14.742 ( 0.000 0.000 -0.000) 0.000 14.759 ( 0.000 0.000 -0.000) 0.000 14.929 ( 0.000 0.000 0.000) 0.000 15.115 ( 0.000 0.000 0.000) 0.000 15.293 ( 0.000 0.000 0.000) 0.000 15.435 ( 0.000 0.000 0.000) 0.000 15.458 ( -0.000 0.000 -0.000) 0.000 15.490 ( 0.000 0.000 0.000) 0.000 15.505 ( 0.000 0.000 0.000) 0.000 15.790 ( 0.000 0.000 0.000) 0.000 15.932 ( 0.000 0.000 0.000) 0.000 16.061 ( 0.000 0.000 0.000) 0.000 16.236 ( 0.000 0.000 0.000) 0.000 16.435 ( 0.000 0.000 0.000) 0.000 16.496 ( 0.000 0.000 -0.000) 0.000 16.871 ( 0.000 0.000 -0.000) 0.000 16.989 ( 0.000 0.000 0.000) 0.000 17.079 ( 0.000 0.000 0.000) 0.000 17.143 ( 0.000 0.000 0.000) 0.000 19.265 ( 0.000 0.000 0.000) 0.000 19.400 ( 0.000 0.000 0.000) 0.000 19.550 ( 0.000 0.000 0.000) 0.000 19.688 ( 0.000 0.000 0.000) 0.000 21.049 ( 0.000 0.000 0.000) 0.000 21.134 ( 0.000 0.000 -0.000) 0.000 21.138 ( -0.000 0.000 0.000) 0.000 21.244 ( 0.000 0.000 0.000) 0.000 25.040 ( 0.000 0.000 0.000) 0.000 25.099 ( 0.000 0.000 0.000) 0.000 25.500 ( 0.000 0.000 0.000) 0.000 25.731 ( 0.000 0.000 0.000) 0.000 25.939 ( 0.000 0.000 0.000) 0.000 26.004 ( 0.000 0.000 0.000) 0.000 26.222 ( 0.000 0.000 0.000) 0.000 26.228 ( 0.000 0.000 -0.000) 0.000 26.714 ( 0.000 0.000 0.000) 0.000 27.068 ( -0.000 0.000 0.000) 0.000 27.124 ( 0.000 0.000 -0.000) 0.000 27.378 ( 0.000 0.000 0.000) 0.000 27.383 ( 0.000 0.000 0.000) 0.000 27.437 ( 0.000 0.000 -0.000) 0.000 27.440 ( 0.000 0.000 0.000) 0.000 27.534 ( 0.000 0.000 -0.000) 0.000 27.630 ( 0.000 0.000 0.000) 0.000 27.665 ( 0.000 0.000 -0.000) 0.000 27.832 ( 0.000 0.000 0.000) 0.000 28.005 ( 0.000 0.000 0.000) 0.000 28.162 ( 0.000 0.000 -0.000) 0.000 28.210 ( 0.000 0.000 0.000) 0.000 28.418 ( 0.000 0.000 -0.000) 0.000 28.512 ( 0.000 0.000 0.000) 0.000 28.542 ( 0.000 0.000 0.000) 0.000 28.553 ( -0.000 0.000 0.000) 0.000 28.632 ( 0.000 0.000 0.000) 0.000 28.703 ( 0.000 0.000 0.000) 0.000 28.826 ( 0.000 0.000 -0.000) 0.000 28.890 ( 0.000 0.000 0.000) 0.000 29.425 ( 0.000 0.000 0.000) 0.000 29.840 ( 0.000 0.000 0.000) 0.000 29.957 ( 0.000 0.000 0.000) 0.000 30.072 ( 0.000 0.000 0.000) 0.000 30.115 ( 0.000 0.000 0.000) 0.000 30.326 ( 0.000 0.000 0.000) 0.000 30.422 ( 0.000 0.000 -0.000) 0.000 31.088 ( 0.000 0.000 0.000) 0.000 31.493 ( 0.000 0.000 0.000) 0.000 31.701 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/63) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 0.000 25.913 0.000) 25.913 0.654 ( 0.000 35.301 0.000) 35.301 1.005 ( 0.000 51.851 0.000) 51.851 1.657 ( 0.000 -13.994 0.000) 13.994 2.171 ( 0.000 -15.662 0.000) 15.662 2.204 ( 0.000 -8.935 0.000) 8.935 2.239 ( 0.000 0.353 0.000) 0.353 2.349 ( 0.000 8.748 0.000) 8.748 2.387 ( 0.000 -1.994 0.000) 1.994 2.544 ( 0.000 -2.632 0.000) 2.632 2.613 ( 0.000 -6.010 0.000) 6.010 2.755 ( 0.000 0.242 0.000) 0.242 2.783 ( 0.000 0.521 0.000) 0.521 2.793 ( 0.000 1.689 0.000) 1.689 2.873 ( 0.000 8.065 0.000) 8.065 2.951 ( 0.000 0.463 0.000) 0.463 3.016 ( 0.000 -2.502 0.000) 2.502 3.021 ( 0.000 2.886 0.000) 2.886 3.128 ( 0.000 0.271 0.000) 0.271 3.252 ( 0.000 3.331 0.000) 3.331 3.350 ( 0.000 -3.096 0.000) 3.096 3.415 ( 0.000 0.662 0.000) 0.662 3.434 ( 0.000 9.508 0.000) 9.508 3.584 ( 0.000 -0.380 0.000) 0.380 3.681 ( 0.000 -4.814 0.000) 4.814 3.802 ( 0.000 -3.262 0.000) 3.262 3.893 ( 0.000 -5.855 0.000) 5.855 3.947 ( 0.000 5.505 0.000) 5.505 4.036 ( 0.000 3.135 0.000) 3.135 4.112 ( 0.000 0.496 0.000) 0.496 4.231 ( 0.000 5.252 0.000) 5.252 4.332 ( 0.000 -1.974 0.000) 1.974 4.340 ( 0.000 1.398 0.000) 1.398 4.424 ( 0.000 6.531 0.000) 6.531 4.486 ( 0.000 -5.700 0.000) 5.700 4.604 ( 0.000 -4.632 0.000) 4.632 4.666 ( 0.000 0.601 0.000) 0.601 4.683 ( 0.000 -6.951 0.000) 6.951 4.754 ( 0.000 -1.421 0.000) 1.421 4.805 ( 0.000 5.051 0.000) 5.051 4.922 ( 0.000 -2.436 0.000) 2.436 4.957 ( 0.000 8.382 0.000) 8.382 5.081 ( 0.000 -1.445 0.000) 1.445 5.131 ( 0.000 -5.772 0.000) 5.772 5.299 ( 0.000 -0.766 0.000) 0.766 5.343 ( 0.000 -2.267 0.000) 2.267 5.455 ( 0.000 4.320 0.000) 4.320 5.477 ( 0.000 2.999 0.000) 2.999 5.502 ( 0.000 2.306 0.000) 2.306 5.578 ( 0.000 -0.235 0.000) 0.235 5.637 ( 0.000 4.747 0.000) 4.747 5.778 ( 0.000 -4.206 0.000) 4.206 5.840 ( 0.000 0.811 0.000) 0.811 5.861 ( 0.000 -7.392 0.000) 7.392 6.033 ( 0.000 -5.182 0.000) 5.182 6.076 ( 0.000 0.734 0.000) 0.734 6.147 ( 0.000 -5.509 0.000) 5.509 6.167 ( 0.000 1.031 0.000) 1.031 6.200 ( 0.000 -2.065 0.000) 2.065 6.262 ( 0.000 -0.877 0.000) 0.877 6.425 ( 0.000 5.813 0.000) 5.813 6.587 ( 0.000 -0.451 0.000) 0.451 6.588 ( 0.000 -3.097 0.000) 3.097 6.732 ( 0.000 -6.142 0.000) 6.142 6.764 ( 0.000 0.534 0.000) 0.534 6.835 ( 0.000 -2.596 0.000) 2.596 7.019 ( 0.000 0.998 0.000) 0.998 7.224 ( 0.000 -2.031 0.000) 2.031 7.319 ( 0.000 5.185 0.000) 5.185 7.357 ( 0.000 2.447 0.000) 2.447 7.509 ( 0.000 3.542 0.000) 3.542 7.532 ( 0.000 1.940 0.000) 1.940 7.727 ( 0.000 0.585 0.000) 0.585 7.828 ( 0.000 -0.738 0.000) 0.738 7.837 ( 0.000 0.745 0.000) 0.745 7.896 ( 0.000 0.416 0.000) 0.416 8.096 ( 0.000 2.839 0.000) 2.839 8.421 ( 0.000 -4.127 0.000) 4.127 8.548 ( 0.000 1.125 0.000) 1.125 8.672 ( 0.000 8.831 0.000) 8.831 8.718 ( 0.000 -1.630 0.000) 1.630 8.837 ( 0.000 0.504 0.000) 0.504 8.880 ( 0.000 0.879 0.000) 0.879 8.966 ( 0.000 5.994 0.000) 5.994 9.016 ( 0.000 -4.972 0.000) 4.972 9.048 ( 0.000 -1.254 0.000) 1.254 9.151 ( 0.000 -3.505 0.000) 3.505 9.272 ( 0.000 0.840 0.000) 0.840 9.306 ( 0.000 -5.726 0.000) 5.726 9.354 ( 0.000 3.808 0.000) 3.808 9.462 ( 0.000 1.727 0.000) 1.727 9.463 ( 0.000 -0.673 0.000) 0.673 9.652 ( 0.000 0.970 0.000) 0.970 9.769 ( 0.000 8.598 0.000) 8.598 9.937 ( 0.000 -9.452 0.000) 9.452 10.054 ( 0.000 -3.810 0.000) 3.810 10.233 ( 0.000 -0.653 0.000) 0.653 10.286 ( 0.000 -2.748 0.000) 2.748 10.307 ( 0.000 -1.001 0.000) 1.001 10.437 ( 0.000 -0.153 0.000) 0.153 10.556 ( 0.000 2.342 0.000) 2.342 10.817 ( 0.000 -4.310 0.000) 4.310 10.882 ( 0.000 -5.743 0.000) 5.743 10.955 ( 0.000 -1.090 0.000) 1.090 11.089 ( 0.000 1.858 0.000) 1.858 11.300 ( 0.000 -5.339 0.000) 5.339 11.469 ( 0.000 0.300 0.000) 0.300 11.473 ( 0.000 -1.188 0.000) 1.188 11.814 ( 0.000 4.439 0.000) 4.439 12.043 ( 0.000 4.643 0.000) 4.643 12.157 ( 0.000 -8.964 0.000) 8.964 12.228 ( 0.000 5.482 0.000) 5.482 12.315 ( 0.000 0.441 0.000) 0.441 12.347 ( 0.000 4.796 0.000) 4.796 12.432 ( 0.000 1.937 0.000) 1.937 12.474 ( 0.000 1.089 0.000) 1.089 12.601 ( 0.000 1.667 0.000) 1.667 12.777 ( 0.000 4.704 0.000) 4.704 12.856 ( 0.000 -4.469 0.000) 4.469 12.972 ( 0.000 -0.139 0.000) 0.139 13.011 ( 0.000 -10.068 0.000) 10.068 13.058 ( 0.000 -1.054 0.000) 1.054 13.129 ( 0.000 3.575 0.000) 3.575 13.131 ( 0.000 -4.264 0.000) 4.264 13.246 ( 0.000 -1.614 0.000) 1.614 13.375 ( 0.000 -0.371 0.000) 0.371 13.412 ( 0.000 2.947 0.000) 2.947 13.480 ( 0.000 2.852 0.000) 2.852 13.511 ( 0.000 -3.789 0.000) 3.789 13.735 ( 0.000 -1.297 0.000) 1.297 13.792 ( 0.000 6.243 0.000) 6.243 13.998 ( 0.000 -0.785 0.000) 0.785 14.153 ( 0.000 -5.620 0.000) 5.620 14.317 ( 0.000 -9.799 0.000) 9.799 14.399 ( 0.000 8.554 0.000) 8.554 14.477 ( 0.000 5.690 0.000) 5.690 14.704 ( 0.000 1.498 0.000) 1.498 14.763 ( 0.000 4.683 0.000) 4.683 14.785 ( 0.000 4.926 0.000) 4.926 15.080 ( 0.000 -4.203 0.000) 4.203 15.325 ( 0.000 2.568 0.000) 2.568 15.461 ( 0.000 -0.112 0.000) 0.112 15.496 ( 0.000 6.545 0.000) 6.545 15.552 ( 0.000 -1.688 0.000) 1.688 15.630 ( 0.000 3.867 0.000) 3.867 15.666 ( 0.000 -2.335 0.000) 2.335 15.833 ( 0.000 3.750 0.000) 3.750 16.014 ( 0.000 2.374 0.000) 2.374 16.170 ( 0.000 -6.612 0.000) 6.612 16.224 ( 0.000 2.136 0.000) 2.136 16.356 ( 0.000 -11.451 0.000) 11.451 16.478 ( 0.000 -0.352 0.000) 0.352 16.674 ( 0.000 0.142 0.000) 0.142 16.762 ( 0.000 -1.606 0.000) 1.606 16.862 ( 0.000 5.100 0.000) 5.100 17.011 ( 0.000 -0.901 0.000) 0.901 19.171 ( 0.000 3.305 0.000) 3.305 19.387 ( 0.000 4.898 0.000) 4.898 19.532 ( 0.000 -5.857 0.000) 5.857 19.892 ( 0.000 -8.979 0.000) 8.979 20.942 ( 0.000 5.799 0.000) 5.799 21.140 ( 0.000 2.491 0.000) 2.491 21.211 ( 0.000 -1.958 0.000) 1.958 21.284 ( 0.000 -1.346 0.000) 1.346 24.967 ( 0.000 -0.029 0.000) 0.029 25.018 ( 0.000 -1.530 0.000) 1.530 25.314 ( 0.000 1.348 0.000) 1.348 25.412 ( 0.000 -0.972 0.000) 0.972 26.118 ( 0.000 0.539 0.000) 0.539 26.161 ( 0.000 -1.202 0.000) 1.202 26.184 ( 0.000 1.945 0.000) 1.945 26.283 ( 0.000 0.160 0.000) 0.160 26.490 ( 0.000 3.055 0.000) 3.055 26.743 ( 0.000 -3.282 0.000) 3.282 27.053 ( 0.000 1.973 0.000) 1.973 27.169 ( 0.000 -0.161 0.000) 0.161 27.194 ( 0.000 1.091 0.000) 1.091 27.251 ( 0.000 -2.392 0.000) 2.392 27.401 ( 0.000 2.399 0.000) 2.399 27.572 ( 0.000 -0.607 0.000) 0.607 27.600 ( 0.000 3.108 0.000) 3.108 27.862 ( 0.000 -3.582 0.000) 3.582 28.033 ( 0.000 0.025 0.000) 0.025 28.149 ( 0.000 -3.234 0.000) 3.234 28.236 ( 0.000 3.873 0.000) 3.873 28.318 ( 0.000 3.762 0.000) 3.762 28.330 ( 0.000 1.296 0.000) 1.296 28.436 ( 0.000 -0.835 0.000) 0.835 28.613 ( 0.000 -1.250 0.000) 1.250 28.638 ( 0.000 -6.048 0.000) 6.048 28.879 ( 0.000 -0.516 0.000) 0.516 29.051 ( 0.000 -4.843 0.000) 4.843 29.118 ( 0.000 9.246 0.000) 9.246 29.507 ( 0.000 3.956 0.000) 3.956 29.557 ( 0.000 -2.767 0.000) 2.767 29.714 ( 0.000 -2.540 0.000) 2.540 29.867 ( 0.000 1.801 0.000) 1.801 29.956 ( 0.000 -0.630 0.000) 0.630 30.062 ( 0.000 1.147 0.000) 1.147 30.167 ( 0.000 -1.143 0.000) 1.143 30.812 ( 0.000 0.428 0.000) 0.428 30.851 ( 0.000 1.213 0.000) 1.213 31.060 ( 0.000 -0.445 0.000) 0.445 31.279 ( 0.000 -3.891 0.000) 3.891 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 12.468 27.099 7.320) 30.715 0.987 ( 22.614 24.776 7.761) 34.431 1.467 ( 37.472 24.081 26.256) 51.706 1.875 ( 12.631 -10.436 14.593) 21.941 2.173 ( 3.693 -11.848 -3.866) 12.999 2.228 ( -2.002 -9.786 5.436) 11.372 2.284 ( -0.563 0.158 6.952) 6.976 2.392 ( 1.200 -2.300 -2.266) 3.444 2.460 ( 7.985 4.521 3.188) 9.714 2.535 ( -1.914 0.369 -0.369) 1.984 2.613 ( -0.128 -3.983 -1.028) 4.116 2.724 ( -0.011 2.638 -7.086) 7.561 2.782 ( -0.791 -4.340 -1.797) 4.763 2.838 ( 1.732 -1.552 -1.278) 2.654 2.885 ( 0.471 3.412 -0.016) 3.445 2.914 ( 1.731 2.564 -0.936) 3.232 2.992 ( -3.664 1.801 -2.545) 4.811 3.046 ( 0.484 -4.444 3.414) 5.625 3.164 ( 2.603 2.461 6.241) 7.196 3.222 ( -3.854 3.519 -0.102) 5.220 3.291 ( -3.806 1.721 -3.447) 5.415 3.384 ( -0.426 5.398 1.983) 5.767 3.446 ( 1.420 3.372 -3.110) 4.802 3.645 ( -3.200 3.347 3.034) 5.536 3.721 ( 9.179 -8.400 2.556) 12.702 3.826 ( 2.049 -3.851 1.686) 4.676 3.899 ( -1.662 2.427 0.823) 3.054 3.972 ( 1.870 -2.574 1.073) 3.358 3.996 ( -0.555 5.487 -1.553) 5.729 4.073 ( -1.981 1.498 -1.829) 3.084 4.214 ( -1.296 4.251 -2.807) 5.256 4.235 ( -3.984 5.368 -3.397) 7.498 4.311 ( -2.550 -2.327 1.551) 3.784 4.442 ( 1.917 0.801 0.168) 2.085 4.486 ( -1.894 -3.485 0.522) 4.000 4.529 ( -3.207 -1.723 -3.742) 5.220 4.632 ( -0.708 -1.005 -2.814) 3.070 4.689 ( -3.932 -5.364 0.306) 6.658 4.720 ( -1.344 -1.656 -0.301) 2.154 4.785 ( -2.012 4.847 4.726) 7.062 4.928 ( -1.880 4.155 -1.732) 4.878 4.948 ( -0.396 -0.964 2.255) 2.484 5.068 ( -2.443 -3.768 0.910) 4.583 5.131 ( 0.340 -2.980 0.831) 3.112 5.222 ( -1.456 -1.069 -6.186) 6.445 5.371 ( -0.191 3.874 -3.143) 4.992 5.400 ( -0.012 1.498 -5.570) 5.768 5.480 ( -1.398 0.540 -3.299) 3.624 5.507 ( -4.411 0.970 0.169) 4.519 5.581 ( 4.412 0.708 -0.194) 4.472 5.641 ( 1.070 1.433 -2.245) 2.870 5.686 ( -3.519 -1.571 -4.780) 6.140 5.848 ( -2.512 -5.223 0.065) 5.796 5.895 ( 3.769 -0.299 2.244) 4.396 5.949 ( -4.374 -4.591 -1.895) 6.618 6.075 ( -1.665 2.706 0.080) 3.178 6.144 ( -2.608 -4.994 5.599) 7.943 6.164 ( -1.133 -3.212 -2.449) 4.195 6.239 ( 5.715 -3.154 -4.716) 8.054 6.297 ( -0.050 -2.000 4.685) 5.094 6.424 ( 1.459 3.763 -2.518) 4.756 6.457 ( -10.089 1.191 -0.878) 10.197 6.585 ( -1.015 -0.848 1.782) 2.219 6.627 ( -0.830 -1.185 -0.415) 1.505 6.785 ( -0.351 -0.704 -0.314) 0.847 6.942 ( 3.007 -6.254 -0.639) 6.969 7.009 ( -1.506 1.976 3.095) 3.969 7.242 ( 3.061 6.944 -1.791) 7.797 7.291 ( 0.246 2.078 -1.702) 2.697 7.415 ( -0.451 7.700 -0.436) 7.726 7.465 ( -1.628 -3.030 3.295) 4.764 7.559 ( 2.894 1.637 -3.285) 4.674 7.684 ( -1.053 2.293 2.395) 3.479 7.771 ( -1.082 4.408 0.001) 4.538 7.901 ( 0.901 -3.003 2.020) 3.729 8.032 ( -6.162 2.409 13.758) 15.266 8.118 ( 1.583 -9.741 3.806) 10.577 8.437 ( 0.585 -3.285 0.623) 3.395 8.496 ( -5.037 1.958 -1.537) 5.619 8.547 ( -7.615 2.897 3.729) 8.960 8.708 ( -0.456 5.390 0.980) 5.498 8.745 ( -5.834 0.143 -3.049) 6.584 8.872 ( -3.197 -3.691 -2.657) 5.559 8.958 ( -0.545 0.276 -0.389) 0.724 8.990 ( 6.230 2.512 -6.437) 9.304 9.079 ( -1.982 -1.393 4.989) 5.546 9.154 ( -5.412 -1.043 3.085) 6.316 9.253 ( -2.732 2.714 -0.729) 3.920 9.333 ( 1.849 4.071 -2.664) 5.205 9.369 ( -0.462 -3.403 -4.480) 5.645 9.477 ( 7.677 -5.730 -1.354) 9.675 9.533 ( 4.656 -1.523 -3.434) 5.983 9.678 ( 1.354 1.297 1.804) 2.602 9.830 ( 5.958 3.403 -1.897) 7.119 9.918 ( -0.488 -8.151 -0.657) 8.192 10.096 ( 0.870 -3.026 3.314) 4.571 10.211 ( -2.445 0.558 2.199) 3.336 10.291 ( 1.570 -3.664 -2.183) 4.545 10.363 ( 5.658 0.070 -2.569) 6.214 10.425 ( -0.989 -0.330 0.102) 1.047 10.614 ( 0.642 -3.579 5.407) 6.516 10.831 ( 0.824 -2.849 -0.200) 2.973 10.873 ( -0.653 -5.907 0.950) 6.018 10.970 ( 1.504 -1.200 1.751) 2.602 11.144 ( 3.037 0.824 3.839) 4.964 11.271 ( -0.979 -2.638 -3.475) 4.472 11.379 ( -4.818 0.612 -2.612) 5.515 11.435 ( -2.260 0.610 -7.986) 8.322 11.883 ( 4.258 1.541 4.296) 6.242 12.032 ( 0.096 1.899 -0.392) 1.941 12.162 ( -1.315 -5.146 1.449) 5.506 12.241 ( -1.983 0.697 4.273) 4.762 12.332 ( 0.503 1.009 1.836) 2.155 12.359 ( -3.507 5.640 3.104) 7.331 12.387 ( 0.826 2.441 2.822) 3.822 12.519 ( -2.451 5.698 2.197) 6.581 12.579 ( 1.956 -0.438 -0.626) 2.100 12.765 ( -2.515 5.535 2.056) 6.418 12.790 ( -2.046 -1.496 -5.551) 6.102 12.920 ( -4.521 -4.276 2.300) 6.634 12.987 ( -2.298 -5.881 -2.205) 6.688 13.051 ( -0.526 4.551 -3.958) 6.054 13.092 ( -0.530 -1.209 0.288) 1.351 13.106 ( 1.889 -0.081 -2.132) 2.850 13.284 ( 4.531 0.547 1.346) 4.759 13.335 ( -2.882 2.739 0.990) 4.097 13.396 ( -0.697 -4.637 -3.289) 5.727 13.530 ( 4.554 -3.830 8.206) 10.136 13.609 ( 4.439 -0.855 3.021) 5.437 13.627 ( -9.712 -4.189 -2.106) 10.785 13.824 ( 2.046 5.843 2.829) 6.807 13.948 ( -4.207 3.386 0.870) 5.470 14.233 ( -1.720 -6.233 7.448) 9.863 14.347 ( 4.430 -5.694 -2.350) 7.587 14.420 ( 3.327 7.533 -1.284) 8.335 14.518 ( 2.062 2.980 -0.433) 3.650 14.629 ( -5.513 1.929 -3.055) 6.592 14.711 ( -4.128 4.157 1.813) 6.132 14.790 ( 1.654 3.749 -4.008) 5.732 15.063 ( -2.137 -2.606 0.425) 3.397 15.304 ( -7.262 8.019 -0.762) 10.845 15.332 ( -1.102 7.525 -8.747) 11.591 15.448 ( -2.025 0.664 0.253) 2.146 15.502 ( -1.968 8.390 -1.717) 8.787 15.593 ( -1.607 5.516 -3.572) 6.765 15.650 ( -1.474 1.333 -1.391) 2.426 15.761 ( 8.920 -0.435 -13.215) 15.950 16.040 ( -1.113 4.151 0.361) 4.312 16.126 ( -0.442 -4.397 -3.956) 5.931 16.248 ( 0.892 3.106 -0.598) 3.286 16.339 ( -2.630 -10.111 1.669) 10.580 16.494 ( 3.480 0.988 -1.931) 4.101 16.617 ( -4.098 3.369 3.165) 6.177 16.839 ( 6.246 0.038 -1.377) 6.396 16.864 ( 4.428 -2.706 -1.965) 5.549 16.930 ( 4.511 1.758 -1.805) 5.167 19.244 ( 3.817 -3.182 -4.595) 6.769 19.395 ( 2.599 3.166 -3.174) 5.182 19.526 ( -1.524 -5.152 1.743) 5.648 19.815 ( -2.222 -4.339 -3.918) 6.254 20.959 ( 1.477 5.368 1.256) 5.707 21.131 ( 2.704 3.486 -2.119) 4.894 21.253 ( -2.314 -2.787 1.822) 4.055 21.340 ( -0.199 -3.609 4.858) 6.055 24.993 ( 0.583 -0.132 2.969) 3.028 25.003 ( -1.319 -0.154 2.347) 2.697 25.366 ( 3.148 0.097 4.091) 5.163 25.428 ( 1.555 -0.844 0.532) 1.848 26.066 ( -2.056 3.644 -5.478) 6.893 26.132 ( 0.229 0.519 -4.527) 4.562 26.185 ( -0.298 1.816 3.169) 3.665 26.212 ( -1.213 1.105 3.221) 3.615 26.693 ( 4.562 -1.223 5.416) 7.186 26.848 ( 5.286 -9.049 5.270) 11.730 27.047 ( -0.151 1.155 -0.085) 1.168 27.177 ( 3.693 -0.228 -3.627) 5.181 27.208 ( 1.230 -0.176 -0.975) 1.579 27.260 ( -0.258 -1.974 2.213) 2.977 27.393 ( 0.672 2.228 -1.938) 3.029 27.579 ( 0.748 -0.594 -1.415) 1.707 27.594 ( 0.017 3.364 0.430) 3.391 27.824 ( -3.702 7.658 -7.811) 11.548 27.908 ( -0.808 -1.957 2.899) 3.590 28.141 ( -1.872 -4.439 -2.483) 5.420 28.202 ( -2.227 3.266 -1.993) 4.427 28.303 ( -0.138 2.152 -0.839) 2.314 28.391 ( -0.682 0.472 9.582) 9.618 28.435 ( -0.895 1.549 0.505) 1.859 28.574 ( -1.551 -4.412 -1.673) 4.967 28.635 ( -2.771 -0.395 4.143) 5.000 28.855 ( -3.222 -0.681 1.006) 3.443 28.993 ( -4.503 -4.191 -0.937) 6.223 29.072 ( -1.840 4.034 -0.241) 4.440 29.387 ( -9.546 -0.344 -1.379) 9.651 29.553 ( -5.295 2.988 -0.262) 6.085 29.718 ( 6.100 5.634 -0.183) 8.305 29.851 ( -0.423 3.057 0.899) 3.215 29.977 ( -1.999 1.412 3.111) 3.958 30.132 ( -2.946 0.060 2.785) 4.055 30.363 ( 13.166 -12.251 1.108) 18.018 30.731 ( -5.158 -2.744 -3.615) 6.871 30.905 ( -1.641 -6.469 1.264) 6.792 31.033 ( 5.774 6.605 0.465) 8.785 31.523 ( 13.369 -12.752 -0.735) 18.490 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 16.674 16.357 6.274) 24.185 1.399 ( 23.619 20.967 -2.925) 31.718 2.104 ( -2.321 -8.979 -1.049) 9.334 2.186 ( -1.966 -8.743 0.076) 8.962 2.228 ( -5.711 -0.026 -0.529) 5.736 2.316 ( -3.155 0.971 -0.088) 3.302 2.347 ( 6.863 -2.529 5.208) 8.979 2.363 ( -1.003 -1.873 2.495) 3.278 2.421 ( 20.664 6.206 7.303) 22.778 2.536 ( -0.753 -3.027 -6.280) 7.012 2.627 ( -1.628 -2.136 -5.425) 6.053 2.677 ( 5.425 1.081 0.722) 5.579 2.734 ( 0.474 -3.784 -4.652) 6.015 2.802 ( 0.937 2.620 -0.581) 2.843 2.890 ( 0.627 0.578 1.799) 1.991 2.950 ( -2.050 -2.544 1.302) 3.517 3.002 ( 3.942 6.134 2.316) 7.651 3.034 ( -1.478 -4.783 1.977) 5.383 3.153 ( -4.090 4.431 -2.216) 6.424 3.164 ( -3.469 7.118 -4.362) 9.041 3.308 ( 4.489 1.722 6.456) 8.050 3.438 ( 5.882 3.648 -0.712) 6.958 3.472 ( 3.262 2.314 2.073) 4.505 3.601 ( -4.205 5.036 3.449) 7.412 3.797 ( -1.283 -1.038 -2.615) 3.092 3.870 ( -1.583 3.270 -5.237) 6.373 3.906 ( 0.898 0.374 4.828) 4.925 4.031 ( 5.963 0.831 5.929) 8.450 4.065 ( -3.482 2.615 -3.196) 5.401 4.085 ( 4.683 -0.652 6.149) 7.756 4.130 ( 7.574 -1.512 2.603) 8.151 4.252 ( 2.026 5.749 1.968) 6.405 4.291 ( -1.147 -3.523 0.505) 3.739 4.414 ( -3.856 -0.864 -0.572) 3.993 4.464 ( -2.766 -3.208 -1.664) 4.551 4.509 ( -4.976 -4.609 -3.428) 7.600 4.523 ( 4.341 -2.869 0.137) 5.205 4.622 ( -3.461 -0.572 0.634) 3.565 4.704 ( -4.143 -1.893 1.966) 4.961 4.771 ( -5.678 2.171 2.878) 6.726 4.887 ( -1.164 -5.132 3.121) 6.118 4.944 ( -2.346 2.520 0.848) 3.546 5.015 ( -2.810 -4.388 -3.370) 6.205 5.128 ( 1.374 -3.906 -2.641) 4.911 5.200 ( 0.574 4.333 2.830) 5.207 5.297 ( -1.166 4.224 -7.835) 8.977 5.343 ( 0.754 3.774 -4.560) 5.967 5.410 ( -1.103 -1.225 -5.088) 5.348 5.450 ( -2.280 2.439 0.624) 3.397 5.579 ( -0.368 0.235 -3.195) 3.225 5.616 ( -2.169 0.435 0.087) 2.214 5.675 ( 1.476 -2.990 0.638) 3.395 5.772 ( -5.286 -5.061 -0.807) 7.363 5.857 ( -4.609 -2.785 0.543) 5.412 5.969 ( 1.946 -0.888 -2.481) 3.276 6.043 ( -1.562 0.861 1.554) 2.366 6.089 ( -1.772 -3.010 -6.824) 7.666 6.186 ( 1.182 -2.714 4.963) 5.779 6.233 ( -2.333 -4.552 -1.162) 5.245 6.295 ( 0.674 -0.729 -3.647) 3.780 6.389 ( -0.519 0.996 3.126) 3.321 6.442 ( 2.186 1.139 0.195) 2.473 6.586 ( -3.593 -2.495 1.132) 4.518 6.601 ( -0.936 -1.509 1.852) 2.566 6.766 ( -0.840 0.445 -1.374) 1.670 6.889 ( -5.259 0.834 0.186) 5.328 7.066 ( 1.639 -1.128 3.120) 3.701 7.239 ( -2.314 5.162 -3.012) 6.409 7.297 ( 1.526 5.584 0.269) 5.795 7.379 ( -0.702 3.233 -1.261) 3.540 7.504 ( 0.795 -2.061 4.322) 4.854 7.543 ( -0.568 -0.399 -1.752) 1.884 7.734 ( 1.198 3.318 4.276) 5.543 7.776 ( 0.101 2.121 1.819) 2.796 7.923 ( -0.842 -4.651 2.292) 5.253 8.003 ( 0.531 5.395 -5.636) 7.820 8.161 ( -5.714 -8.878 11.618) 15.698 8.379 ( -5.294 3.999 -1.598) 6.824 8.412 ( -3.705 -2.875 1.052) 4.806 8.502 ( -2.646 3.284 -1.128) 4.366 8.610 ( -4.107 2.917 -3.685) 6.242 8.715 ( -2.318 1.147 2.988) 3.952 8.804 ( -0.923 -8.124 -2.789) 8.639 8.946 ( 0.483 2.869 -2.675) 3.953 9.022 ( 0.349 4.304 -1.945) 4.736 9.050 ( -2.039 -4.669 2.024) 5.482 9.080 ( -4.600 0.697 -0.799) 4.721 9.187 ( -2.559 6.799 -1.975) 7.528 9.336 ( 1.104 0.312 -1.312) 1.743 9.356 ( 3.751 1.539 -2.942) 5.009 9.545 ( 0.064 -2.743 -0.814) 2.862 9.574 ( 2.319 -3.396 2.877) 5.019 9.707 ( 1.431 0.159 -0.497) 1.523 9.891 ( 2.775 -4.728 -0.159) 5.485 9.928 ( 2.795 -4.076 -3.567) 6.095 10.111 ( -1.367 0.343 0.838) 1.640 10.210 ( 0.040 -0.403 0.671) 0.783 10.300 ( 3.176 -0.835 -2.575) 4.174 10.381 ( 0.086 2.181 -2.755) 3.514 10.444 ( 2.749 -0.135 -1.094) 2.962 10.647 ( -2.113 -4.124 4.830) 6.694 10.840 ( 1.358 -2.445 -0.454) 2.833 10.889 ( 0.192 -5.867 1.439) 6.044 11.019 ( 2.430 -4.953 -1.432) 5.700 11.149 ( -3.878 1.235 -3.322) 5.253 11.265 ( -3.231 4.102 -7.061) 8.782 11.297 ( 2.895 2.418 6.066) 7.143 11.320 ( -0.702 0.973 -3.200) 3.417 11.995 ( 4.162 -0.635 0.840) 4.294 12.039 ( -0.092 -2.200 1.370) 2.593 12.165 ( 0.146 0.227 2.338) 2.353 12.208 ( -3.999 1.701 2.898) 5.223 12.354 ( 0.427 -2.101 4.799) 5.256 12.400 ( 0.735 1.211 4.809) 5.013 12.447 ( 2.400 2.512 2.168) 4.095 12.533 ( 0.866 1.561 5.785) 6.054 12.579 ( -1.907 -0.865 -0.820) 2.249 12.717 ( -3.921 0.234 3.618) 5.341 12.780 ( 1.711 0.681 -0.531) 1.917 12.867 ( -3.614 -1.746 0.130) 4.016 12.925 ( -1.125 -6.664 -2.032) 7.057 13.007 ( -0.007 3.703 -1.974) 4.197 13.122 ( -0.888 2.060 1.606) 2.759 13.155 ( 7.382 -1.660 -3.963) 8.542 13.241 ( -6.038 -1.983 0.262) 6.361 13.349 ( 0.492 -0.702 -5.878) 5.941 13.405 ( 1.060 -5.695 2.437) 6.284 13.453 ( -2.707 -4.034 -2.178) 5.324 13.694 ( 5.566 0.723 0.894) 5.684 13.721 ( 6.213 -0.463 3.684) 7.238 13.870 ( -4.707 4.435 2.752) 7.029 13.903 ( 2.976 5.725 0.600) 6.480 14.229 ( -4.548 -4.458 1.819) 6.623 14.340 ( -5.833 -4.437 1.668) 7.516 14.354 ( -8.104 4.309 -5.183) 10.541 14.518 ( 0.068 1.924 0.158) 1.932 14.616 ( 2.202 6.963 3.972) 8.313 14.661 ( -1.721 1.686 2.768) 3.670 14.794 ( 3.609 1.478 -4.900) 6.263 15.039 ( 1.137 0.836 -2.506) 2.876 15.173 ( -1.187 7.609 -6.675) 10.191 15.308 ( 1.052 5.095 -2.505) 5.774 15.424 ( -0.551 1.424 0.556) 1.625 15.446 ( 0.096 4.922 -3.994) 6.339 15.554 ( -2.499 4.608 1.598) 5.480 15.611 ( -2.171 2.800 -0.773) 3.626 15.796 ( 5.402 1.449 -5.553) 7.882 15.995 ( -4.305 2.797 1.822) 5.447 16.096 ( 1.832 -2.529 -5.145) 6.019 16.252 ( -1.058 -0.607 1.372) 1.836 16.321 ( 0.194 -1.315 1.006) 1.667 16.533 ( 1.003 0.610 0.911) 1.486 16.652 ( 2.396 -3.283 3.880) 5.619 16.931 ( 5.191 -3.099 1.420) 6.210 16.975 ( 5.088 -2.684 -2.346) 6.213 16.989 ( 5.848 -3.540 -2.112) 7.155 19.242 ( 1.458 -1.768 -2.567) 3.441 19.397 ( 1.348 4.366 -2.463) 5.191 19.518 ( -1.864 -5.914 2.256) 6.599 19.750 ( -2.089 -4.230 -2.536) 5.356 21.007 ( 2.141 4.080 1.366) 4.806 21.157 ( 2.452 3.520 -2.963) 5.214 21.219 ( -1.848 -1.436 -0.423) 2.378 21.330 ( -3.544 -0.674 1.575) 3.937 25.014 ( 0.716 0.536 1.154) 1.460 25.043 ( 0.377 -0.424 3.963) 4.003 25.454 ( 2.022 -1.059 1.219) 2.588 25.499 ( 4.044 -1.850 5.595) 7.147 26.003 ( -0.390 3.310 -3.449) 4.797 26.084 ( -0.344 1.233 -4.075) 4.272 26.214 ( -0.155 0.830 2.356) 2.502 26.228 ( -0.729 0.865 2.714) 2.940 26.770 ( 0.239 0.112 1.223) 1.251 26.962 ( 1.322 -6.918 6.077) 9.303 27.084 ( 3.039 0.625 5.325) 6.163 27.187 ( -1.238 -1.562 -1.852) 2.721 27.235 ( 6.147 -0.485 -2.032) 6.492 27.304 ( 4.654 0.124 -1.957) 5.050 27.406 ( 2.573 0.394 -0.344) 2.625 27.564 ( -0.910 -0.828 -1.182) 1.706 27.613 ( 0.962 4.669 1.698) 5.061 27.712 ( -2.790 7.329 -3.921) 8.768 27.960 ( 1.836 -2.232 4.266) 5.153 28.058 ( -2.522 -2.762 -5.471) 6.628 28.136 ( -1.970 4.122 -2.752) 5.333 28.327 ( 2.425 1.942 -0.260) 3.118 28.403 ( -2.601 2.307 -0.679) 3.543 28.446 ( -0.913 -2.889 3.163) 4.380 28.538 ( -0.853 -3.290 0.154) 3.402 28.640 ( -1.868 0.577 3.799) 4.273 28.779 ( -6.866 -3.525 -0.174) 7.720 28.877 ( -4.040 -3.220 -5.727) 7.713 29.041 ( -4.960 0.368 2.714) 5.666 29.183 ( -9.887 5.708 -3.336) 11.894 29.445 ( -6.149 0.403 0.863) 6.222 29.779 ( 3.835 3.126 -4.707) 6.829 29.920 ( 1.582 4.880 9.263) 10.589 29.973 ( -1.680 1.746 2.856) 3.746 30.111 ( -1.291 0.002 0.952) 1.604 30.484 ( 3.168 -10.316 -5.866) 12.283 30.583 ( -6.035 -1.953 -6.227) 8.889 30.868 ( 0.287 -6.956 2.524) 7.405 31.234 ( 11.321 5.996 3.492) 13.278 31.657 ( 4.828 -6.899 -1.133) 8.497 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 14.433 9.145 1.345) 17.139 1.695 ( 13.481 12.004 -5.565) 18.889 1.859 ( -15.879 1.659 -17.026) 23.340 1.925 ( -10.514 -4.453 -3.757) 12.020 2.058 ( -11.007 0.421 -8.470) 13.895 2.127 ( -5.380 -4.360 -4.107) 8.051 2.220 ( -1.685 1.058 -10.617) 10.801 2.377 ( -0.064 -5.844 2.177) 6.237 2.518 ( -4.042 0.647 -1.053) 4.227 2.606 ( 1.873 -3.425 -6.973) 7.991 2.661 ( 3.208 -4.192 5.362) 7.524 2.756 ( 3.334 -1.080 -5.351) 6.397 2.774 ( -4.298 -2.827 -4.125) 6.594 2.839 ( 2.340 7.818 2.331) 8.487 2.893 ( -4.618 -3.317 7.694) 9.566 2.980 ( 0.409 3.602 4.139) 5.502 3.047 ( 1.289 11.561 -3.665) 12.197 3.083 ( 4.035 -0.575 -0.974) 4.190 3.127 ( 1.329 1.336 3.285) 3.786 3.250 ( 11.292 0.618 7.448) 13.542 3.416 ( 3.492 -0.122 1.629) 3.855 3.521 ( -2.381 0.767 1.118) 2.740 3.546 ( 5.820 2.163 -1.879) 6.487 3.645 ( 6.419 8.491 5.311) 11.896 3.759 ( 2.247 -0.786 1.697) 2.924 3.829 ( -1.531 3.203 0.874) 3.656 3.962 ( 3.593 4.681 1.863) 6.188 4.029 ( -0.234 3.267 -0.973) 3.416 4.128 ( -0.974 0.959 1.782) 2.245 4.162 ( 1.461 -0.346 1.176) 1.907 4.216 ( -8.555 -3.727 -1.111) 9.397 4.313 ( 0.525 -3.110 0.291) 3.167 4.331 ( 5.365 0.487 2.403) 5.899 4.356 ( 1.759 3.474 -2.305) 4.525 4.408 ( 2.548 2.772 3.744) 5.310 4.525 ( -1.650 -6.229 4.024) 7.598 4.575 ( -2.085 -5.167 2.586) 6.143 4.599 ( 2.632 -1.668 1.494) 3.456 4.637 ( -1.192 1.275 -0.253) 1.764 4.720 ( -2.646 -0.292 3.455) 4.361 4.863 ( -3.801 -8.339 -3.156) 9.693 4.919 ( -1.077 -1.761 1.124) 2.350 4.971 ( -0.662 -2.412 3.511) 4.311 5.133 ( 0.437 -0.353 0.434) 0.710 5.207 ( 0.254 4.292 -6.983) 8.201 5.226 ( -1.580 4.800 2.293) 5.549 5.340 ( 0.461 0.582 -3.293) 3.376 5.364 ( 1.906 1.697 -1.459) 2.940 5.443 ( 1.072 0.589 -1.179) 1.699 5.518 ( -4.170 -0.907 -0.478) 4.295 5.602 ( 0.005 0.057 1.525) 1.526 5.637 ( -4.085 -3.801 -4.708) 7.300 5.704 ( -1.755 -1.230 0.955) 2.346 5.830 ( -1.394 -1.242 4.769) 5.122 5.919 ( -1.460 -2.357 -3.899) 4.784 5.979 ( -0.669 1.586 -6.283) 6.514 6.081 ( 0.788 -4.907 3.107) 5.861 6.181 ( -3.359 -3.819 0.515) 5.112 6.277 ( 2.921 -1.252 4.192) 5.260 6.292 ( 2.652 -1.702 -3.247) 4.525 6.403 ( 0.955 -2.551 -1.994) 3.376 6.454 ( -1.528 -3.241 -1.526) 3.895 6.520 ( -3.040 1.450 0.871) 3.479 6.623 ( -0.668 -0.756 4.882) 4.985 6.727 ( -1.953 0.097 -1.967) 2.774 6.830 ( -1.126 4.257 0.912) 4.497 7.076 ( -2.272 -1.390 -1.555) 3.084 7.160 ( -2.216 2.549 -1.493) 3.692 7.299 ( -1.262 3.033 -0.218) 3.293 7.391 ( 2.012 1.102 0.809) 2.433 7.498 ( 0.044 4.170 -3.110) 5.202 7.589 ( -0.837 -3.639 7.880) 8.720 7.755 ( 0.822 -0.444 -2.969) 3.112 7.813 ( 0.905 -0.110 2.988) 3.123 7.931 ( -1.474 -3.568 3.684) 5.336 7.971 ( 2.016 3.416 -4.578) 6.058 8.159 ( -4.432 -1.036 5.795) 7.368 8.292 ( -3.482 7.484 -1.048) 8.321 8.385 ( -0.242 -5.290 1.268) 5.445 8.439 ( 0.201 3.524 -3.284) 4.821 8.538 ( -2.742 4.080 -0.485) 4.940 8.660 ( -7.133 -0.181 3.563) 7.975 8.725 ( -2.895 -6.602 -6.822) 9.925 8.928 ( -0.382 3.577 -0.431) 3.623 8.982 ( -2.488 0.884 -2.524) 3.653 9.019 ( -0.230 2.673 1.706) 3.179 9.082 ( 2.816 -4.367 -2.885) 5.944 9.153 ( 0.613 7.058 0.453) 7.099 9.349 ( 1.027 1.251 -1.217) 2.025 9.406 ( 3.257 2.069 0.798) 3.940 9.518 ( -1.939 -3.425 -0.991) 4.059 9.625 ( 0.131 -3.205 3.582) 4.808 9.720 ( 0.797 -1.783 -1.955) 2.763 9.906 ( -0.666 -10.819 -0.903) 10.877 9.951 ( 3.781 2.690 -1.231) 4.801 10.083 ( -2.107 1.190 -0.521) 2.476 10.213 ( 1.018 3.554 -0.701) 3.763 10.327 ( -0.368 -0.952 -1.975) 2.223 10.377 ( 2.709 2.813 0.822) 3.990 10.455 ( 0.993 0.357 -2.678) 2.878 10.657 ( -1.323 -4.989 2.888) 5.915 10.867 ( 3.121 -4.688 -4.809) 7.405 10.883 ( -3.249 -5.205 4.895) 7.849 10.983 ( -1.570 -7.804 -4.463) 9.126 11.079 ( -0.451 3.497 -2.372) 4.249 11.169 ( -0.856 2.371 -3.573) 4.373 11.325 ( 2.587 6.317 -0.450) 6.841 11.402 ( 1.252 2.934 4.647) 5.636 12.020 ( -0.560 -0.452 0.536) 0.897 12.070 ( 1.875 -3.888 0.777) 4.386 12.150 ( -2.233 4.108 1.021) 4.786 12.260 ( 2.964 0.661 4.233) 5.210 12.417 ( 1.563 -5.028 2.192) 5.704 12.447 ( 0.563 -3.554 2.421) 4.337 12.525 ( 2.543 0.914 2.454) 3.650 12.548 ( 0.344 -2.098 0.881) 2.301 12.626 ( 0.841 -0.965 6.969) 7.086 12.701 ( -2.999 0.298 5.025) 5.860 12.745 ( -4.104 -1.417 -1.713) 4.667 12.857 ( 2.265 -1.385 -0.255) 2.668 12.910 ( 0.411 -6.772 -1.029) 6.862 13.001 ( -0.325 3.989 0.197) 4.007 13.092 ( 0.003 0.822 -3.437) 3.533 13.151 ( -4.672 -4.023 -0.991) 6.244 13.217 ( -3.304 -1.556 -0.351) 3.668 13.240 ( 2.129 2.237 -2.915) 4.246 13.429 ( 2.583 -6.494 -1.661) 7.183 13.510 ( 4.060 -3.774 0.825) 5.604 13.758 ( 2.867 4.248 -0.755) 5.181 13.814 ( -0.921 8.618 3.624) 9.394 13.880 ( 4.934 0.557 0.538) 4.994 13.934 ( 0.724 1.870 -3.894) 4.380 14.075 ( -7.245 4.442 -5.108) 9.915 14.147 ( -7.271 3.690 -4.568) 9.346 14.316 ( -4.896 -7.022 9.215) 12.578 14.507 ( -2.105 -0.622 1.689) 2.770 14.625 ( -1.307 1.700 2.701) 3.449 14.759 ( 2.999 5.720 0.893) 6.520 14.795 ( 2.439 -0.037 -2.191) 3.278 15.047 ( 2.278 0.878 -2.482) 3.482 15.108 ( 0.280 7.578 -4.598) 8.868 15.329 ( 2.526 4.981 0.044) 5.585 15.419 ( 0.489 1.415 -2.183) 2.647 15.453 ( 1.364 1.571 1.782) 2.739 15.526 ( -2.376 3.687 1.864) 4.766 15.567 ( -1.893 3.910 -0.483) 4.371 15.829 ( 2.870 4.339 -2.325) 5.699 15.950 ( -2.457 1.037 1.464) 3.043 16.075 ( 0.730 -0.656 -3.290) 3.434 16.219 ( -3.128 -5.286 0.491) 6.162 16.382 ( 3.679 2.943 1.779) 5.036 16.545 ( -0.958 1.197 1.702) 2.290 16.729 ( 2.493 -6.928 1.983) 7.625 16.970 ( 0.713 -4.905 -3.504) 6.071 17.034 ( 2.923 -1.976 3.023) 4.646 17.073 ( 5.041 -3.738 -2.997) 6.955 19.249 ( 1.164 -0.622 -0.996) 1.653 19.410 ( 1.587 3.591 0.164) 3.930 19.503 ( -2.036 -5.697 1.467) 6.226 19.689 ( -1.975 -3.863 -2.135) 4.835 21.049 ( 0.879 2.579 1.151) 2.958 21.146 ( 1.203 1.058 -3.985) 4.295 21.199 ( -1.077 2.659 0.753) 2.966 21.278 ( -2.610 0.500 -0.247) 2.668 25.037 ( 0.535 0.691 0.949) 1.290 25.081 ( 0.439 -0.415 1.967) 2.058 25.488 ( 1.055 -0.243 0.491) 1.189 25.619 ( 2.800 -4.399 4.763) 7.062 25.975 ( 0.004 2.910 -1.680) 3.360 26.047 ( -0.294 1.851 -1.971) 2.719 26.227 ( -0.296 0.838 1.190) 1.485 26.236 ( -0.540 0.994 1.270) 1.701 26.754 ( -0.841 1.723 -1.323) 2.330 27.007 ( -1.082 -5.323 3.936) 6.708 27.140 ( -1.004 -0.660 -0.934) 1.522 27.255 ( 5.657 -3.993 6.034) 9.185 27.324 ( 4.132 -0.160 0.574) 4.175 27.366 ( 5.749 0.342 -3.262) 6.619 27.453 ( 0.302 -1.058 2.187) 2.448 27.527 ( -1.389 -1.706 -1.318) 2.565 27.629 ( -3.028 5.522 0.086) 6.298 27.698 ( 5.889 6.546 2.125) 9.058 27.943 ( -1.892 0.648 -6.761) 7.050 28.034 ( 0.380 0.322 0.974) 1.094 28.124 ( 1.360 4.476 3.798) 6.026 28.289 ( -3.709 0.563 -5.462) 6.626 28.399 ( 2.228 2.491 1.086) 3.514 28.441 ( -1.526 -4.707 0.860) 5.022 28.540 ( -0.100 -1.832 0.055) 1.836 28.625 ( -2.969 -2.251 0.321) 3.740 28.628 ( -5.588 -3.834 -3.485) 7.620 28.752 ( -4.536 -3.038 -4.069) 6.808 28.955 ( -6.670 4.984 4.075) 9.270 29.030 ( -3.632 8.662 -4.945) 10.615 29.386 ( -2.617 -2.908 2.005) 4.396 29.789 ( 2.502 -1.456 -3.246) 4.349 29.976 ( -0.883 2.085 1.957) 2.993 30.037 ( -0.232 1.732 9.460) 9.620 30.107 ( -0.198 -0.645 0.357) 0.763 30.388 ( -4.304 -5.962 -4.874) 8.822 30.451 ( -1.026 0.777 -7.482) 7.592 30.954 ( 3.960 -7.804 2.880) 9.213 31.439 ( 7.663 4.385 3.212) 9.395 31.694 ( 0.974 -2.759 -0.878) 3.055 ======================= Grid point 13 (10/63) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.000 -0.169 0.000) 0.169 1.702 ( 0.000 12.471 0.000) 12.471 1.713 ( -0.000 1.072 0.000) 1.072 1.817 ( 0.000 -3.766 0.000) 3.766 1.876 ( -0.000 4.953 0.000) 4.953 2.026 ( 0.000 -2.263 0.000) 2.263 2.183 ( 0.000 -0.873 0.000) 0.873 2.397 ( 0.000 -7.705 0.000) 7.705 2.467 ( 0.000 1.551 -0.000) 1.551 2.611 ( 0.000 -3.824 0.000) 3.824 2.642 ( 0.000 3.941 0.000) 3.941 2.737 ( 0.000 -5.176 -0.000) 5.176 2.760 ( 0.000 0.207 0.000) 0.207 2.839 ( 0.000 4.440 0.000) 4.440 2.885 ( 0.000 2.934 0.000) 2.934 3.003 ( 0.000 -0.864 -0.000) 0.864 3.054 ( 0.000 13.829 0.000) 13.829 3.121 ( 0.000 3.179 0.000) 3.179 3.160 ( 0.000 -2.190 0.000) 2.190 3.382 ( 0.000 -6.306 0.000) 6.306 3.455 ( 0.000 -3.284 0.000) 3.284 3.485 ( 0.000 8.577 0.000) 8.577 3.585 ( 0.000 -1.394 0.000) 1.394 3.784 ( 0.000 5.770 0.000) 5.770 3.817 ( 0.000 6.702 0.000) 6.702 3.907 ( -0.000 -3.413 -0.000) 3.413 3.955 ( 0.000 3.479 0.000) 3.479 4.038 ( 0.000 5.008 0.000) 5.008 4.048 ( 0.000 -2.661 0.000) 2.661 4.111 ( 0.000 -0.898 0.000) 0.898 4.213 ( 0.000 4.362 -0.000) 4.362 4.284 ( 0.000 -0.975 0.000) 0.975 4.361 ( 0.000 0.811 0.000) 0.811 4.424 ( 0.000 -2.810 -0.000) 2.810 4.466 ( 0.000 8.203 0.000) 8.203 4.513 ( -0.000 -3.125 0.000) 3.125 4.525 ( 0.000 2.590 -0.000) 2.590 4.643 ( 0.000 -2.816 0.000) 2.816 4.694 ( 0.000 -0.291 0.000) 0.291 4.729 ( 0.000 -4.804 -0.000) 4.804 4.773 ( 0.000 -13.372 0.000) 13.372 4.915 ( 0.000 -3.479 0.000) 3.479 4.998 ( 0.000 -2.399 0.000) 2.399 5.139 ( 0.000 0.555 0.000) 0.555 5.194 ( 0.000 3.968 0.000) 3.968 5.203 ( -0.000 5.833 -0.000) 5.833 5.305 ( 0.000 -0.689 0.000) 0.689 5.420 ( -0.000 2.440 -0.000) 2.440 5.423 ( 0.000 -1.311 0.000) 1.311 5.469 ( 0.000 -0.169 0.000) 0.169 5.568 ( 0.000 -2.339 0.000) 2.339 5.614 ( 0.000 -2.696 -0.000) 2.696 5.685 ( 0.000 2.900 0.000) 2.900 5.863 ( 0.000 -4.341 0.000) 4.341 5.891 ( 0.000 1.651 0.000) 1.651 5.932 ( 0.000 -0.491 0.000) 0.491 6.128 ( -0.000 -5.726 -0.000) 5.726 6.129 ( 0.000 -4.231 0.000) 4.231 6.303 ( 0.000 -2.660 0.000) 2.660 6.339 ( 0.000 -3.715 -0.000) 3.715 6.388 ( 0.000 -0.235 0.000) 0.235 6.413 ( 0.000 -1.875 0.000) 1.875 6.503 ( 0.000 -0.069 0.000) 0.069 6.671 ( -0.000 2.906 -0.000) 2.906 6.671 ( 0.000 -3.481 0.000) 3.481 6.841 ( 0.000 7.611 -0.000) 7.611 7.023 ( 0.000 -3.215 0.000) 3.215 7.139 ( 0.000 1.118 0.000) 1.118 7.279 ( 0.000 1.997 0.000) 1.997 7.426 ( 0.000 -0.995 0.000) 0.995 7.475 ( 0.000 5.671 0.000) 5.671 7.624 ( 0.000 0.233 0.000) 0.233 7.741 ( 0.000 -7.570 -0.000) 7.570 7.839 ( 0.000 0.539 -0.000) 0.539 7.939 ( 0.000 -1.216 -0.000) 1.216 7.971 ( 0.000 2.449 0.000) 2.449 8.149 ( 0.000 2.105 0.000) 2.105 8.249 ( 0.000 7.897 0.000) 7.897 8.405 ( 0.000 -2.822 -0.000) 2.822 8.433 ( -0.000 3.454 0.000) 3.454 8.509 ( 0.000 2.824 0.000) 2.824 8.609 ( 0.000 -6.573 0.000) 6.573 8.638 ( 0.000 -0.196 0.000) 0.196 8.924 ( 0.000 4.582 -0.000) 4.582 8.942 ( 0.000 0.853 0.000) 0.853 9.028 ( 0.000 2.482 0.000) 2.482 9.090 ( 0.000 -4.310 0.000) 4.310 9.178 ( 0.000 6.525 0.000) 6.525 9.347 ( 0.000 0.171 0.000) 0.171 9.462 ( 0.000 6.337 -0.000) 6.337 9.477 ( 0.000 -6.707 0.000) 6.707 9.651 ( 0.000 -2.767 0.000) 2.767 9.700 ( 0.000 -4.670 0.000) 4.670 9.895 ( 0.000 -9.928 0.000) 9.928 9.998 ( 0.000 4.293 0.000) 4.293 10.043 ( 0.000 1.849 0.000) 1.849 10.230 ( 0.000 7.001 0.000) 7.001 10.295 ( 0.000 -0.961 0.000) 0.961 10.431 ( 0.000 -1.223 -0.000) 1.223 10.434 ( 0.000 1.389 0.000) 1.389 10.658 ( 0.000 -5.324 0.000) 5.324 10.843 ( 0.000 -6.370 0.000) 6.370 10.900 ( 0.000 -3.693 0.000) 3.693 10.944 ( 0.000 -7.763 0.000) 7.763 11.067 ( 0.000 2.679 0.000) 2.679 11.144 ( 0.000 2.241 0.000) 2.241 11.358 ( 0.000 5.832 0.000) 5.832 11.429 ( 0.000 4.373 0.000) 4.373 12.016 ( 0.000 0.217 0.000) 0.217 12.099 ( 0.000 -4.658 0.000) 4.658 12.132 ( 0.000 4.765 0.000) 4.765 12.318 ( 0.000 0.291 0.000) 0.291 12.441 ( 0.000 -4.774 -0.000) 4.774 12.460 ( 0.000 -5.474 0.000) 5.474 12.549 ( 0.000 -1.379 0.000) 1.379 12.607 ( 0.000 -6.052 0.000) 6.052 12.635 ( 0.000 2.268 -0.000) 2.268 12.693 ( -0.000 1.530 0.000) 1.530 12.719 ( 0.000 -3.189 -0.000) 3.189 12.886 ( -0.000 -4.393 0.000) 4.393 12.898 ( 0.000 -4.316 0.000) 4.316 12.994 ( 0.000 4.361 0.000) 4.361 13.071 ( 0.000 -4.077 -0.000) 4.077 13.102 ( 0.000 0.874 -0.000) 0.874 13.170 ( 0.000 0.738 0.000) 0.738 13.260 ( 0.000 1.137 0.000) 1.137 13.448 ( 0.000 -5.972 0.000) 5.972 13.553 ( 0.000 -5.501 0.000) 5.501 13.803 ( -0.000 7.653 0.000) 7.653 13.831 ( 0.000 6.124 0.000) 6.124 13.852 ( 0.000 4.687 0.000) 4.687 13.958 ( 0.000 -1.290 0.000) 1.290 13.976 ( 0.000 3.532 -0.000) 3.532 14.057 ( 0.000 8.401 0.000) 8.401 14.324 ( 0.000 -6.636 -0.000) 6.636 14.495 ( 0.000 -1.344 0.000) 1.344 14.631 ( 0.000 -2.715 0.000) 2.715 14.755 ( 0.000 2.580 0.000) 2.580 14.834 ( 0.000 5.039 -0.000) 5.039 15.056 ( 0.000 0.346 0.000) 0.346 15.088 ( 0.000 9.830 0.000) 9.830 15.362 ( 0.000 5.312 0.000) 5.312 15.409 ( 0.000 -2.186 0.000) 2.186 15.473 ( 0.000 1.576 0.000) 1.576 15.523 ( 0.000 3.179 0.000) 3.179 15.545 ( 0.000 4.455 -0.000) 4.455 15.842 ( 0.000 5.446 0.000) 5.446 15.939 ( 0.000 0.573 -0.000) 0.573 16.063 ( 0.000 -0.057 0.000) 0.057 16.187 ( 0.000 -4.537 0.000) 4.537 16.431 ( 0.000 -0.295 0.000) 0.295 16.543 ( 0.000 3.777 0.000) 3.777 16.763 ( 0.000 -8.740 -0.000) 8.740 16.952 ( 0.000 -3.903 0.000) 3.903 17.082 ( 0.000 -1.156 0.000) 1.156 17.097 ( 0.000 -4.613 0.000) 4.613 19.255 ( 0.000 -0.227 0.000) 0.227 19.433 ( 0.000 3.025 0.000) 3.025 19.488 ( 0.000 -5.925 0.000) 5.925 19.657 ( 0.000 -3.471 0.000) 3.471 21.058 ( 0.000 1.616 0.000) 1.616 21.141 ( 0.000 0.515 -0.000) 0.515 21.188 ( 0.000 4.124 0.000) 4.124 21.253 ( 0.000 0.929 0.000) 0.929 25.047 ( 0.000 0.720 0.000) 0.720 25.095 ( 0.000 -0.456 0.000) 0.456 25.499 ( 0.000 0.134 0.000) 0.134 25.669 ( 0.000 -5.447 0.000) 5.447 25.967 ( 0.000 2.768 0.000) 2.768 26.035 ( 0.000 2.219 0.000) 2.219 26.230 ( 0.000 0.843 0.000) 0.843 26.238 ( 0.000 0.897 0.000) 0.897 26.737 ( 0.000 2.569 0.000) 2.569 27.017 ( 0.000 -4.997 0.000) 4.997 27.125 ( 0.000 0.286 -0.000) 0.286 27.338 ( 0.000 -5.489 0.000) 5.489 27.366 ( 0.000 -0.646 0.000) 0.646 27.414 ( 0.000 -1.403 -0.000) 1.403 27.459 ( 0.000 0.966 0.000) 0.966 27.505 ( 0.000 -2.696 0.000) 2.696 27.600 ( 0.000 4.640 0.000) 4.640 27.815 ( 0.000 -1.865 -0.000) 1.865 27.866 ( 0.000 12.279 0.000) 12.279 28.041 ( 0.000 3.953 0.000) 3.953 28.183 ( 0.000 2.610 -0.000) 2.610 28.190 ( 0.000 -2.094 0.000) 2.094 28.404 ( 0.000 -7.798 0.000) 7.798 28.442 ( 0.000 2.493 -0.000) 2.493 28.550 ( -0.000 0.841 -0.000) 0.841 28.552 ( 0.000 -3.201 0.000) 3.201 28.592 ( 0.000 -2.130 0.000) 2.130 28.686 ( 0.000 -2.178 0.000) 2.178 28.916 ( 0.000 3.000 0.000) 3.000 28.968 ( 0.000 11.704 0.000) 11.704 29.377 ( 0.000 -4.041 0.000) 4.041 29.798 ( 0.000 -5.037 0.000) 5.037 29.978 ( 0.000 2.230 0.000) 2.230 30.080 ( 0.000 0.723 0.000) 0.723 30.106 ( 0.000 -1.047 -0.000) 1.047 30.332 ( 0.000 -8.518 0.000) 8.518 30.393 ( 0.000 7.344 -0.000) 7.344 31.008 ( 0.000 -8.295 0.000) 8.295 31.530 ( 0.000 3.554 0.000) 3.554 31.690 ( 0.000 -1.195 0.000) 1.195 ======================= Grid point 18 (11/63) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 24.175 0.000) 24.175 1.263 ( 0.000 31.176 0.000) 31.176 1.339 ( 0.000 -20.292 0.000) 20.292 1.691 ( 0.000 0.657 0.000) 0.657 1.914 ( 0.000 4.861 0.000) 4.861 2.076 ( 0.000 -5.466 0.000) 5.466 2.263 ( 0.000 5.924 0.000) 5.924 2.364 ( 0.000 0.195 0.000) 0.195 2.421 ( 0.000 -4.776 0.000) 4.776 2.474 ( 0.000 -10.210 0.000) 10.210 2.555 ( 0.000 9.506 0.000) 9.506 2.698 ( 0.000 -5.068 0.000) 5.068 2.795 ( 0.000 1.718 0.000) 1.718 2.836 ( 0.000 -0.070 0.000) 0.070 2.975 ( 0.000 0.662 0.000) 0.662 2.985 ( 0.000 -1.268 0.000) 1.268 2.997 ( 0.000 4.644 0.000) 4.644 3.034 ( 0.000 -1.026 0.000) 1.026 3.156 ( 0.000 1.402 0.000) 1.402 3.234 ( 0.000 -7.848 0.000) 7.848 3.335 ( 0.000 2.706 0.000) 2.706 3.414 ( 0.000 -6.302 0.000) 6.302 3.465 ( 0.000 4.692 0.000) 4.692 3.502 ( 0.000 0.839 0.000) 0.839 3.700 ( 0.000 -3.182 0.000) 3.182 3.717 ( 0.000 -5.105 0.000) 5.105 3.986 ( 0.000 15.047 0.000) 15.047 4.051 ( 0.000 4.277 0.000) 4.277 4.121 ( 0.000 1.219 0.000) 1.219 4.140 ( 0.000 6.787 0.000) 6.787 4.266 ( 0.000 -1.563 0.000) 1.563 4.318 ( 0.000 0.772 0.000) 0.772 4.333 ( 0.000 -7.557 0.000) 7.557 4.356 ( 0.000 -2.944 0.000) 2.944 4.508 ( 0.000 -4.628 0.000) 4.628 4.518 ( 0.000 -6.888 0.000) 6.888 4.613 ( 0.000 10.857 0.000) 10.857 4.696 ( 0.000 1.986 0.000) 1.986 4.727 ( 0.000 -1.463 0.000) 1.463 4.804 ( 0.000 -8.150 0.000) 8.150 4.918 ( 0.000 4.784 0.000) 4.784 5.015 ( 0.000 -5.121 0.000) 5.121 5.083 ( 0.000 1.964 0.000) 1.964 5.095 ( 0.000 2.807 0.000) 2.807 5.272 ( 0.000 -0.330 0.000) 0.330 5.304 ( 0.000 -2.450 0.000) 2.450 5.507 ( 0.000 0.626 0.000) 0.626 5.507 ( 0.000 0.634 0.000) 0.634 5.561 ( 0.000 4.071 0.000) 4.071 5.609 ( 0.000 2.406 0.000) 2.406 5.681 ( 0.000 -3.756 0.000) 3.756 5.732 ( 0.000 -3.957 0.000) 3.957 5.762 ( 0.000 5.786 0.000) 5.786 5.877 ( 0.000 -0.120 0.000) 0.120 5.928 ( 0.000 -2.731 0.000) 2.731 6.015 ( 0.000 -6.954 0.000) 6.954 6.089 ( 0.000 2.007 0.000) 2.007 6.167 ( 0.000 -3.689 0.000) 3.689 6.201 ( 0.000 0.626 0.000) 0.626 6.214 ( 0.000 -1.883 0.000) 1.883 6.523 ( 0.000 3.899 0.000) 3.899 6.538 ( 0.000 -0.903 0.000) 0.903 6.574 ( 0.000 0.006 0.000) 0.006 6.634 ( 0.000 -4.685 0.000) 4.685 6.771 ( 0.000 0.647 0.000) 0.647 6.794 ( 0.000 -1.791 0.000) 1.791 7.073 ( 0.000 4.554 0.000) 4.554 7.162 ( 0.000 -4.633 0.000) 4.633 7.396 ( 0.000 2.511 0.000) 2.511 7.399 ( 0.000 1.784 0.000) 1.784 7.571 ( 0.000 2.220 0.000) 2.220 7.574 ( 0.000 1.683 0.000) 1.683 7.742 ( 0.000 1.529 0.000) 1.529 7.786 ( 0.000 -2.982 0.000) 2.982 7.852 ( 0.000 1.084 0.000) 1.084 7.880 ( 0.000 -1.850 0.000) 1.850 8.208 ( 0.000 8.233 0.000) 8.233 8.341 ( 0.000 -5.654 0.000) 5.654 8.587 ( 0.000 3.535 0.000) 3.535 8.666 ( 0.000 -4.213 0.000) 4.213 8.805 ( 0.000 5.375 0.000) 5.375 8.887 ( 0.000 -1.263 0.000) 1.263 8.913 ( 0.000 7.517 0.000) 7.517 8.919 ( 0.000 -3.327 0.000) 3.327 8.959 ( 0.000 -4.082 0.000) 4.082 9.059 ( 0.000 -6.784 0.000) 6.784 9.104 ( 0.000 5.374 0.000) 5.374 9.198 ( 0.000 -5.517 0.000) 5.517 9.353 ( 0.000 7.277 0.000) 7.277 9.436 ( 0.000 -2.387 0.000) 2.387 9.445 ( 0.000 7.405 0.000) 7.405 9.556 ( 0.000 6.837 0.000) 6.837 9.633 ( 0.000 -5.476 0.000) 5.476 9.692 ( 0.000 -12.973 0.000) 12.973 9.922 ( 0.000 7.532 0.000) 7.532 10.018 ( 0.000 -2.790 0.000) 2.790 10.208 ( 0.000 -0.766 0.000) 0.766 10.229 ( 0.000 -2.823 0.000) 2.823 10.312 ( 0.000 2.116 0.000) 2.116 10.386 ( 0.000 -4.993 0.000) 4.993 10.615 ( 0.000 4.433 0.000) 4.433 10.716 ( 0.000 -6.211 0.000) 6.211 10.840 ( 0.000 1.772 0.000) 1.772 10.907 ( 0.000 -4.077 0.000) 4.077 11.136 ( 0.000 3.094 0.000) 3.094 11.201 ( 0.000 -4.512 0.000) 4.512 11.472 ( 0.000 0.973 0.000) 0.973 11.483 ( 0.000 0.374 0.000) 0.374 11.887 ( 0.000 3.771 0.000) 3.771 11.987 ( 0.000 -8.035 0.000) 8.035 12.138 ( 0.000 5.457 0.000) 5.457 12.228 ( 0.000 -3.986 0.000) 3.986 12.412 ( 0.000 6.314 0.000) 6.314 12.419 ( 0.000 2.396 0.000) 2.396 12.457 ( 0.000 1.459 0.000) 1.459 12.502 ( 0.000 0.491 0.000) 0.491 12.656 ( 0.000 4.044 0.000) 4.044 12.752 ( 0.000 -6.499 0.000) 6.499 12.831 ( 0.000 0.760 0.000) 0.760 12.862 ( 0.000 -4.619 0.000) 4.619 12.995 ( 0.000 1.981 0.000) 1.981 13.049 ( 0.000 -4.050 0.000) 4.050 13.088 ( 0.000 5.642 0.000) 5.642 13.195 ( 0.000 3.844 0.000) 3.844 13.198 ( 0.000 -4.336 0.000) 4.336 13.287 ( 0.000 -6.792 0.000) 6.792 13.468 ( 0.000 2.534 0.000) 2.534 13.492 ( 0.000 -0.173 0.000) 0.173 13.557 ( 0.000 5.635 0.000) 5.635 13.668 ( 0.000 -5.603 0.000) 5.603 13.893 ( 0.000 4.267 0.000) 4.267 13.962 ( 0.000 -3.220 0.000) 3.220 14.093 ( 0.000 0.265 0.000) 0.265 14.159 ( 0.000 -6.563 0.000) 6.563 14.572 ( 0.000 9.190 0.000) 9.190 14.597 ( 0.000 5.901 0.000) 5.901 14.705 ( 0.000 -1.316 0.000) 1.316 14.753 ( 0.000 -5.289 0.000) 5.289 14.903 ( 0.000 6.914 0.000) 6.914 15.006 ( 0.000 -4.270 0.000) 4.270 15.377 ( 0.000 3.167 0.000) 3.167 15.445 ( 0.000 -3.673 0.000) 3.673 15.512 ( 0.000 0.811 0.000) 0.811 15.545 ( 0.000 -1.589 0.000) 1.589 15.734 ( 0.000 9.496 0.000) 9.496 15.776 ( 0.000 10.860 0.000) 10.860 15.879 ( 0.000 -1.572 0.000) 1.572 15.981 ( 0.000 -7.279 0.000) 7.279 16.055 ( 0.000 -2.781 0.000) 2.781 16.132 ( 0.000 -10.329 0.000) 10.329 16.317 ( 0.000 7.157 0.000) 7.157 16.434 ( 0.000 -4.782 0.000) 4.782 16.694 ( 0.000 1.651 0.000) 1.651 16.727 ( 0.000 -1.971 0.000) 1.971 16.939 ( 0.000 3.307 0.000) 3.307 16.985 ( 0.000 -1.929 0.000) 1.929 19.262 ( 0.000 6.573 0.000) 6.573 19.399 ( 0.000 -8.080 0.000) 8.080 19.514 ( 0.000 8.917 0.000) 8.917 19.700 ( 0.000 -11.101 0.000) 11.101 21.058 ( 0.000 6.255 0.000) 6.255 21.155 ( 0.000 -4.243 0.000) 4.243 21.194 ( 0.000 3.218 0.000) 3.218 21.248 ( 0.000 -2.558 0.000) 2.558 24.970 ( 0.000 0.560 0.000) 0.560 24.989 ( 0.000 -1.462 0.000) 1.462 25.347 ( 0.000 2.106 0.000) 2.106 25.385 ( 0.000 -1.934 0.000) 1.934 26.130 ( 0.000 0.660 0.000) 0.660 26.142 ( 0.000 -0.808 0.000) 0.808 26.228 ( 0.000 2.621 0.000) 2.621 26.269 ( 0.000 -1.701 0.000) 1.701 26.567 ( 0.000 5.145 0.000) 5.145 26.664 ( 0.000 -5.166 0.000) 5.166 27.103 ( 0.000 3.248 0.000) 3.248 27.155 ( 0.000 -1.886 0.000) 1.886 27.203 ( 0.000 -0.026 0.000) 0.026 27.209 ( 0.000 -1.387 0.000) 1.387 27.466 ( 0.000 4.402 0.000) 4.402 27.539 ( 0.000 -3.134 0.000) 3.134 27.680 ( 0.000 5.327 0.000) 5.327 27.779 ( 0.000 -5.274 0.000) 5.274 28.047 ( 0.000 1.688 0.000) 1.688 28.092 ( 0.000 -3.002 0.000) 3.002 28.326 ( 0.000 5.647 0.000) 5.647 28.350 ( 0.000 0.736 0.000) 0.736 28.354 ( 0.000 0.246 0.000) 0.246 28.420 ( 0.000 -3.019 0.000) 3.019 28.557 ( 0.000 -0.660 0.000) 0.660 28.584 ( 0.000 -1.919 0.000) 1.919 28.889 ( 0.000 1.691 0.000) 1.691 28.951 ( 0.000 -5.138 0.000) 5.138 29.295 ( 0.000 9.884 0.000) 9.884 29.460 ( 0.000 -7.762 0.000) 7.762 29.594 ( 0.000 4.962 0.000) 4.962 29.668 ( 0.000 -2.969 0.000) 2.969 29.899 ( 0.000 1.822 0.000) 1.822 29.933 ( 0.000 -1.794 0.000) 1.794 30.096 ( 0.000 2.330 0.000) 2.330 30.137 ( 0.000 -2.043 0.000) 2.043 30.827 ( 0.000 1.308 0.000) 1.308 30.854 ( 0.000 -1.154 0.000) 1.154 31.089 ( 0.000 3.997 0.000) 3.997 31.186 ( 0.000 -5.856 0.000) 5.856 ======================= Grid point 19 (12/63) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 9.178 24.126 10.563) 27.890 1.341 ( 16.871 19.850 14.035) 29.591 1.644 ( 16.728 -13.650 17.912) 28.054 1.807 ( 7.561 -15.211 5.960) 18.002 1.995 ( 9.786 11.686 5.481) 16.197 2.120 ( 2.034 -3.731 5.816) 7.203 2.317 ( 3.763 6.282 1.925) 7.572 2.361 ( -0.493 0.179 -0.191) 0.559 2.428 ( 1.097 -5.045 -1.282) 5.320 2.474 ( 1.474 -5.856 -0.800) 6.091 2.688 ( 5.210 7.353 7.611) 11.796 2.733 ( -1.696 -0.475 -5.020) 5.320 2.747 ( 2.356 0.608 -7.827) 8.196 2.818 ( 2.564 -2.585 1.395) 3.899 2.892 ( -4.609 1.266 -5.317) 7.150 2.948 ( -5.705 -4.176 -3.009) 7.684 2.981 ( 3.029 4.873 -2.882) 6.421 3.054 ( 2.114 0.793 1.294) 2.602 3.204 ( 0.443 0.604 6.525) 6.568 3.253 ( -1.548 -2.740 4.596) 5.570 3.348 ( 4.670 2.599 -5.908) 7.967 3.407 ( 1.536 -5.775 -4.942) 7.754 3.468 ( 1.206 4.285 -0.439) 4.473 3.520 ( 2.382 -3.668 3.034) 5.323 3.742 ( 3.564 -2.226 3.461) 5.444 3.797 ( 5.706 -4.760 4.938) 8.922 3.930 ( -3.128 12.234 -3.700) 13.158 4.037 ( -1.623 1.531 -2.064) 3.039 4.093 ( -2.368 6.415 2.487) 7.276 4.124 ( -2.477 5.170 1.161) 5.849 4.245 ( -5.145 -0.579 -4.241) 6.693 4.298 ( -2.304 0.595 3.406) 4.154 4.312 ( -0.983 0.872 0.289) 1.345 4.338 ( -0.078 -8.097 1.240) 8.192 4.459 ( -1.430 -2.177 -1.751) 3.138 4.524 ( -2.827 -7.943 0.339) 8.438 4.614 ( -0.395 8.397 -0.390) 8.415 4.640 ( -2.394 2.582 -3.793) 5.175 4.680 ( -2.872 -2.415 -3.626) 5.218 4.796 ( -0.599 -7.729 -2.297) 8.086 4.914 ( -1.724 3.209 0.719) 3.713 4.994 ( -1.849 -4.689 -0.770) 5.099 5.009 ( -4.344 3.937 2.795) 6.494 5.077 ( -4.026 -3.311 0.210) 5.216 5.275 ( 3.142 5.218 -2.703) 6.664 5.360 ( 3.615 -3.573 -2.308) 5.582 5.456 ( -3.418 3.080 -2.162) 5.084 5.483 ( -3.088 -0.353 -2.809) 4.189 5.534 ( -1.330 2.104 -0.515) 2.542 5.584 ( -0.897 -2.209 -0.354) 2.410 5.664 ( 0.731 2.214 -2.200) 3.205 5.705 ( -1.241 4.060 -5.189) 6.704 5.751 ( 0.971 -3.922 -2.648) 4.831 5.836 ( -2.937 -7.090 -4.392) 8.842 5.954 ( 2.160 5.669 1.352) 6.216 6.066 ( -2.974 -4.652 2.651) 6.125 6.092 ( -4.788 -0.802 3.289) 5.863 6.105 ( 0.499 -2.740 5.044) 5.762 6.185 ( 4.023 -0.608 -6.707) 7.845 6.224 ( 0.032 -4.145 -1.380) 4.369 6.487 ( -6.194 1.826 2.400) 6.889 6.490 ( -2.094 2.480 -1.427) 3.546 6.572 ( -1.203 -0.272 1.878) 2.247 6.593 ( -0.718 -2.045 -2.456) 3.276 6.788 ( 1.061 1.440 0.317) 1.816 6.843 ( 3.015 -4.454 0.423) 5.395 7.093 ( -0.486 6.515 2.872) 7.137 7.218 ( 2.926 -6.342 1.815) 7.217 7.383 ( -0.422 5.139 0.685) 5.201 7.429 ( -0.971 -0.653 2.323) 2.602 7.553 ( -0.427 4.956 -0.383) 4.989 7.586 ( 1.585 0.522 -1.951) 2.568 7.726 ( -0.995 3.045 1.193) 3.418 7.808 ( 1.474 -3.861 -1.152) 4.291 7.848 ( -1.715 1.348 2.911) 3.638 7.917 ( -0.902 -6.042 7.605) 9.755 8.200 ( 0.234 9.248 -3.277) 9.814 8.353 ( 1.280 -6.701 -1.633) 7.015 8.537 ( -4.261 2.619 0.319) 5.012 8.575 ( -7.601 -0.566 3.061) 8.213 8.741 ( -6.513 1.156 -0.219) 6.619 8.787 ( -8.331 -4.032 0.720) 9.284 8.833 ( -1.140 6.419 -0.834) 6.573 8.949 ( 0.394 -5.614 -0.637) 5.664 9.023 ( 1.985 4.894 -0.108) 5.282 9.097 ( -1.141 -1.883 -0.253) 2.217 9.135 ( 3.628 3.496 0.192) 5.042 9.241 ( 5.099 -6.086 -3.042) 8.503 9.337 ( -1.301 4.269 -1.112) 4.600 9.392 ( -1.441 0.527 -1.573) 2.198 9.470 ( 2.169 4.201 0.701) 4.779 9.566 ( -0.179 2.788 0.278) 2.808 9.640 ( 1.264 -5.736 -0.728) 5.919 9.704 ( 0.955 -8.748 1.359) 8.904 9.938 ( 1.699 6.234 -0.640) 6.493 10.044 ( 1.524 -4.393 1.557) 4.903 10.217 ( 0.246 0.586 0.857) 1.067 10.238 ( 1.745 -1.964 -1.202) 2.890 10.356 ( 4.519 0.360 -0.556) 4.567 10.393 ( 0.797 -2.893 0.080) 3.002 10.627 ( 0.512 3.968 1.118) 4.154 10.731 ( 0.854 -6.836 1.338) 7.018 10.835 ( -0.432 2.055 -0.355) 2.129 10.911 ( 0.047 -5.033 0.337) 5.045 11.177 ( 2.406 2.700 2.824) 4.589 11.225 ( 1.864 -2.390 2.217) 3.755 11.406 ( -2.740 2.183 -5.045) 6.143 11.439 ( -2.276 -0.803 -6.170) 6.626 11.926 ( 2.615 3.428 2.697) 5.085 12.022 ( 1.687 -7.257 2.294) 7.796 12.107 ( -1.352 5.437 -1.190) 5.728 12.206 ( -1.865 -4.703 -0.788) 5.120 12.385 ( -2.567 2.798 1.546) 4.100 12.409 ( -0.637 -0.168 1.384) 1.533 12.469 ( -1.357 6.706 4.952) 8.446 12.563 ( -0.752 -1.901 5.803) 6.153 12.623 ( -2.011 4.882 -2.203) 5.721 12.725 ( -1.681 -5.167 -3.354) 6.385 12.810 ( -2.958 -0.942 0.624) 3.166 12.828 ( -1.591 -3.759 -0.891) 4.178 12.987 ( -0.860 6.285 0.475) 6.361 13.058 ( 3.884 -1.656 -3.629) 5.567 13.099 ( 1.177 2.260 1.425) 2.920 13.178 ( -3.032 0.424 -0.795) 3.163 13.237 ( 2.272 -1.397 0.476) 2.709 13.303 ( 2.980 -3.686 -3.844) 6.103 13.395 ( -8.930 2.967 0.678) 9.434 13.476 ( -5.765 -4.684 1.797) 7.643 13.564 ( 0.687 0.190 -0.521) 0.883 13.593 ( 5.078 -1.390 1.309) 5.425 13.912 ( -0.491 4.769 3.796) 6.115 13.995 ( 1.145 -1.598 1.217) 2.312 14.140 ( -1.670 -0.125 6.667) 6.874 14.221 ( 2.990 -6.633 2.638) 7.740 14.590 ( -0.473 3.795 -2.338) 4.482 14.591 ( 2.207 9.179 1.384) 9.541 14.640 ( -4.002 -0.182 -5.001) 6.408 14.733 ( -2.451 -3.629 1.145) 4.527 14.891 ( 0.905 6.006 -4.201) 7.385 14.982 ( -1.136 -4.742 -1.940) 5.248 15.362 ( -1.203 2.236 -0.197) 2.547 15.395 ( -1.250 -0.698 -5.821) 5.995 15.501 ( -1.954 3.833 2.278) 4.868 15.564 ( 1.331 -3.023 -1.086) 3.477 15.683 ( -4.330 6.649 1.356) 8.050 15.739 ( -6.571 3.560 -3.423) 8.220 15.826 ( 4.439 7.961 -2.311) 9.403 16.018 ( 2.017 -8.348 -2.752) 9.019 16.085 ( 2.390 0.473 -0.726) 2.543 16.140 ( 0.109 -7.739 -0.353) 7.748 16.337 ( 2.452 6.427 0.400) 6.891 16.455 ( 2.436 -5.180 -0.109) 5.726 16.693 ( -1.557 4.558 0.973) 4.914 16.780 ( 3.496 -4.820 0.593) 5.984 16.885 ( -1.088 3.133 -4.199) 5.351 16.933 ( -0.055 -1.573 -2.735) 3.156 19.258 ( 0.746 4.223 -1.942) 4.707 19.366 ( -0.716 -6.521 -1.487) 6.726 19.532 ( 0.423 6.622 0.053) 6.635 19.682 ( -0.865 -8.887 -1.712) 9.091 21.074 ( 0.772 6.446 1.108) 6.586 21.172 ( 1.018 -3.108 0.713) 3.347 21.214 ( 1.205 2.326 -0.514) 2.670 21.277 ( 2.604 -3.499 0.211) 4.367 24.991 ( 0.407 0.074 3.005) 3.033 24.997 ( 0.275 -0.469 1.391) 1.494 25.377 ( 2.428 1.200 1.573) 3.132 25.405 ( 1.945 -1.616 0.496) 2.577 26.114 ( -0.664 1.754 -3.098) 3.622 26.134 ( -0.013 -0.427 -2.225) 2.266 26.218 ( -1.156 1.604 1.660) 2.582 26.231 ( -1.788 0.401 1.380) 2.294 26.683 ( 5.169 0.825 5.820) 7.828 26.730 ( 4.049 -4.339 4.788) 7.626 27.093 ( -1.229 3.362 0.749) 3.657 27.155 ( -0.243 -2.933 -0.041) 2.943 27.203 ( 1.756 0.785 -1.756) 2.604 27.228 ( 3.323 -1.598 -1.983) 4.186 27.454 ( 0.098 4.178 -2.074) 4.665 27.531 ( 0.076 -3.834 -1.830) 4.249 27.698 ( 1.018 6.799 1.797) 7.105 27.814 ( 2.024 -5.446 3.029) 6.553 27.959 ( -3.848 5.253 -6.006) 8.859 28.052 ( -1.895 -5.019 -3.575) 6.447 28.291 ( -2.565 5.671 -1.439) 6.389 28.345 ( 0.355 2.446 0.014) 2.472 28.367 ( -0.548 -2.352 1.587) 2.890 28.419 ( -0.035 -5.187 -0.912) 5.267 28.550 ( -0.234 3.665 0.786) 3.756 28.616 ( 0.572 -2.457 2.246) 3.377 28.853 ( -4.479 0.980 0.707) 4.640 28.906 ( -3.950 -4.605 -1.110) 6.167 29.180 ( -8.038 7.247 0.354) 10.829 29.311 ( -9.874 -6.516 -0.430) 11.838 29.665 ( 0.133 7.118 -0.675) 7.151 29.759 ( 5.686 -2.031 -2.505) 6.537 29.925 ( 0.718 4.717 6.145) 7.780 29.986 ( -0.924 -1.157 6.114) 6.291 30.135 ( 0.796 0.501 0.266) 0.977 30.184 ( 8.785 -6.171 -1.585) 10.852 30.714 ( -7.893 1.447 -1.583) 8.179 30.784 ( -6.409 -5.888 -0.013) 8.703 31.174 ( 9.431 8.389 0.223) 12.624 31.332 ( 11.668 -9.175 0.053) 14.844 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 6.853 21.716 6.854) 23.781 1.738 ( 14.191 12.151 1.457) 18.739 1.921 ( -1.551 -14.699 6.296) 16.066 1.974 ( 7.158 -8.966 0.758) 11.497 2.232 ( -5.807 0.947 0.235) 5.889 2.276 ( -0.492 -3.851 1.193) 4.062 2.355 ( -2.506 2.064 -5.607) 6.480 2.378 ( 3.104 3.871 9.373) 10.606 2.443 ( -1.627 -4.005 -8.545) 9.577 2.486 ( 14.138 -1.845 4.996) 15.107 2.631 ( 2.385 0.302 -10.758) 11.023 2.660 ( 2.771 -4.558 -4.841) 7.204 2.693 ( -4.702 2.939 -3.460) 6.536 2.784 ( -7.666 -7.300 -1.750) 10.729 2.902 ( 1.438 1.988 5.085) 5.646 2.917 ( 4.109 4.002 5.345) 7.840 3.058 ( 6.478 7.208 -2.063) 9.908 3.130 ( 5.099 3.794 -0.014) 6.355 3.219 ( -1.791 0.602 -1.792) 2.604 3.261 ( -1.176 2.533 1.918) 3.388 3.386 ( 4.741 4.643 -0.645) 6.667 3.407 ( 5.034 -2.674 -3.708) 6.800 3.534 ( 6.431 5.636 3.017) 9.068 3.686 ( 9.968 -11.041 5.105) 15.727 3.814 ( -2.206 4.800 -0.379) 5.296 3.859 ( -1.002 -0.873 0.778) 1.540 3.930 ( 0.279 8.562 3.616) 9.299 4.050 ( 1.487 1.800 3.015) 3.813 4.090 ( 6.279 -0.073 -0.387) 6.291 4.123 ( -0.090 3.949 3.616) 5.356 4.134 ( -1.041 -1.292 0.512) 1.736 4.226 ( -4.505 -3.451 -1.995) 6.016 4.334 ( -2.388 0.782 4.454) 5.114 4.353 ( -2.366 -4.333 4.669) 6.796 4.419 ( -3.215 0.145 1.893) 3.734 4.446 ( -3.218 -2.734 -3.619) 5.561 4.534 ( -1.420 2.479 -0.741) 2.951 4.601 ( -0.994 -2.456 -2.698) 3.782 4.638 ( -2.164 -0.903 1.926) 3.035 4.730 ( -3.354 -5.880 -3.661) 7.696 4.860 ( -4.641 3.402 1.681) 5.995 4.931 ( -2.642 -3.080 -2.986) 5.038 5.003 ( -1.970 1.152 2.472) 3.364 5.045 ( -1.147 -4.030 4.567) 6.198 5.301 ( 2.426 4.959 -2.244) 5.959 5.346 ( -1.055 0.172 -5.199) 5.307 5.384 ( -0.140 1.015 -4.418) 4.536 5.397 ( -0.568 -0.370 -3.730) 3.791 5.501 ( -2.724 3.783 0.291) 4.671 5.566 ( -3.925 -2.261 -1.244) 4.697 5.638 ( 1.253 0.581 -0.914) 1.656 5.651 ( -0.203 1.972 -2.783) 3.417 5.702 ( -2.620 -1.696 -3.506) 4.694 5.772 ( -0.773 -6.203 -1.655) 6.466 5.949 ( -2.444 -0.307 -0.829) 2.599 5.981 ( -4.684 -3.669 1.581) 6.157 6.101 ( 0.185 1.277 -2.650) 2.948 6.138 ( -2.374 -3.274 2.455) 4.731 6.195 ( 3.883 2.111 -0.057) 4.420 6.255 ( 3.091 -3.457 -1.264) 4.806 6.413 ( -2.525 1.831 -1.401) 3.419 6.445 ( -1.556 -1.259 -1.333) 2.405 6.562 ( -2.004 0.360 2.005) 2.857 6.578 ( -1.245 -1.003 2.938) 3.345 6.794 ( -0.393 2.772 -0.604) 2.864 6.862 ( -0.961 -3.836 -0.015) 3.955 7.108 ( -1.607 5.968 3.522) 7.113 7.239 ( -2.897 -6.428 1.036) 7.127 7.388 ( -0.409 3.831 0.991) 3.978 7.411 ( -1.755 0.736 0.655) 2.012 7.527 ( -0.759 5.596 -2.488) 6.171 7.579 ( 0.733 0.981 -3.254) 3.477 7.754 ( 0.321 -0.093 3.774) 3.788 7.797 ( -1.144 -3.728 -0.905) 4.003 7.868 ( -0.745 3.104 5.685) 6.520 7.978 ( -0.781 -8.159 6.104) 10.219 8.152 ( -1.140 8.934 -1.633) 9.153 8.312 ( -3.030 -7.505 -1.893) 8.312 8.485 ( -3.419 5.288 1.670) 6.514 8.546 ( 0.482 -0.023 0.178) 0.514 8.633 ( -4.483 0.743 -1.594) 4.815 8.684 ( -3.438 -4.151 -1.606) 5.624 8.792 ( -3.172 6.573 0.043) 7.299 8.928 ( -3.959 -7.228 2.391) 8.581 9.017 ( 1.351 2.941 -2.985) 4.403 9.057 ( -2.527 -1.168 0.031) 2.784 9.151 ( -1.543 8.145 -2.199) 8.577 9.264 ( 1.735 -0.696 -3.323) 3.813 9.324 ( 3.021 0.212 -1.824) 3.536 9.357 ( -1.192 -2.668 -1.778) 3.421 9.541 ( 3.632 0.656 1.521) 3.992 9.552 ( -1.450 1.326 1.552) 2.504 9.669 ( 2.777 -1.629 -1.569) 3.581 9.734 ( 1.382 -7.365 -0.587) 7.517 9.962 ( 1.853 5.066 0.003) 5.394 10.074 ( 0.308 -5.369 1.162) 5.502 10.228 ( 0.584 1.898 0.209) 1.997 10.263 ( 2.021 -2.324 -1.158) 3.290 10.405 ( 2.820 1.283 -1.727) 3.547 10.438 ( 3.674 -1.629 -0.324) 4.032 10.638 ( -1.701 4.167 2.355) 5.080 10.758 ( -0.720 -7.698 2.668) 8.179 10.822 ( 0.466 1.339 -2.225) 2.639 10.900 ( 0.125 -6.631 -3.448) 7.475 11.209 ( -0.926 4.610 -2.435) 5.296 11.285 ( -1.508 -2.880 -3.834) 5.027 11.343 ( 1.947 2.802 2.439) 4.194 11.355 ( 1.382 1.647 1.222) 2.473 11.996 ( 2.141 1.315 0.509) 2.563 12.025 ( 0.010 -0.797 -2.166) 2.308 12.146 ( 2.433 -0.297 4.925) 5.501 12.186 ( -0.703 -3.672 3.956) 5.443 12.357 ( -3.457 3.007 2.022) 5.008 12.415 ( -2.625 -1.653 4.083) 5.128 12.505 ( -0.360 1.514 4.228) 4.505 12.541 ( -2.144 1.396 0.201) 2.567 12.575 ( -4.341 1.490 2.142) 5.065 12.672 ( -0.020 -4.242 -0.594) 4.283 12.783 ( -0.912 -0.475 0.331) 1.080 12.797 ( -1.162 -3.883 0.054) 4.054 12.961 ( -3.286 8.732 0.238) 9.333 13.085 ( -1.536 0.995 -4.019) 4.416 13.109 ( 1.306 -1.517 -0.464) 2.055 13.146 ( 1.704 -0.297 1.000) 1.998 13.213 ( -5.441 0.308 -2.204) 5.879 13.281 ( 0.784 -6.149 0.347) 6.209 13.342 ( -0.446 -0.257 -2.973) 3.017 13.374 ( 2.142 -3.706 -2.136) 4.784 13.715 ( 9.774 0.969 1.541) 9.942 13.718 ( 7.188 0.400 1.396) 7.334 13.935 ( -1.868 4.791 4.359) 6.741 14.014 ( -0.199 0.761 1.121) 1.369 14.145 ( -5.171 -0.329 7.270) 8.927 14.238 ( -5.319 -6.618 4.457) 9.590 14.455 ( -7.852 5.820 -6.719) 11.860 14.528 ( -3.764 -1.623 -3.662) 5.497 14.691 ( 1.909 2.633 3.615) 4.863 14.719 ( 0.658 1.803 2.484) 3.139 14.855 ( 1.657 4.633 -6.140) 7.868 14.956 ( 1.403 -5.868 -2.391) 6.490 15.323 ( 0.472 4.590 -5.009) 6.811 15.352 ( 0.574 0.489 -0.944) 1.208 15.494 ( -1.802 4.929 2.558) 5.838 15.540 ( -1.085 1.371 -3.573) 3.978 15.628 ( -2.962 3.571 0.514) 4.668 15.649 ( -2.747 1.077 0.689) 3.029 15.884 ( 4.592 8.524 -1.720) 9.834 16.023 ( 0.652 -2.138 -1.754) 2.841 16.070 ( -0.239 0.264 -3.429) 3.447 16.126 ( -0.927 -7.972 -0.978) 8.085 16.397 ( 3.730 5.945 -0.374) 7.028 16.499 ( 2.976 -4.655 -1.988) 5.871 16.662 ( -2.330 5.635 3.420) 6.991 16.812 ( 0.457 -9.070 1.132) 9.152 16.931 ( 5.761 -1.127 -1.575) 6.077 16.941 ( 3.913 -1.832 -1.601) 4.608 19.259 ( 1.144 3.733 -0.868) 4.000 19.363 ( 0.788 -6.894 -0.379) 6.950 19.520 ( -1.454 5.866 0.148) 6.045 19.642 ( -1.875 -6.963 -1.310) 7.329 21.097 ( 1.187 5.107 -0.181) 5.246 21.174 ( -0.327 -3.149 -1.466) 3.489 21.234 ( 2.050 4.038 -1.277) 4.705 21.299 ( -0.522 -2.779 0.256) 2.839 25.025 ( 0.690 0.573 2.111) 2.294 25.034 ( 0.706 -0.506 3.137) 3.255 25.443 ( 2.742 0.172 1.349) 3.061 25.462 ( 3.298 -1.801 2.178) 4.344 26.065 ( -0.807 2.963 -3.025) 4.310 26.096 ( -0.699 -0.336 -2.939) 3.039 26.232 ( -0.369 0.905 2.476) 2.662 26.239 ( -0.526 0.189 2.629) 2.688 26.784 ( 1.262 1.830 3.208) 3.903 26.846 ( 2.085 -5.139 5.249) 7.636 27.102 ( 0.845 1.608 3.059) 3.557 27.143 ( -0.922 -2.708 0.658) 2.935 27.250 ( 5.695 1.706 -2.083) 6.299 27.286 ( 5.313 -1.896 -1.772) 5.913 27.442 ( 1.344 3.253 -2.164) 4.131 27.510 ( 0.033 -3.817 -2.256) 4.434 27.742 ( 0.771 7.331 3.067) 7.984 27.818 ( -5.141 1.670 -1.470) 5.602 27.921 ( 4.539 0.213 1.120) 4.680 27.990 ( -0.411 -4.644 -2.869) 5.474 28.234 ( -1.903 6.418 -1.097) 6.783 28.352 ( -1.873 -5.423 0.553) 5.764 28.369 ( 1.849 1.739 0.018) 2.538 28.413 ( 0.599 -2.273 -1.068) 2.582 28.545 ( -1.390 4.206 0.000) 4.430 28.624 ( -1.831 -3.209 0.322) 3.708 28.745 ( -6.749 0.887 -2.651) 7.305 28.802 ( -4.320 -4.461 -4.817) 7.859 29.079 ( -6.294 4.026 3.846) 8.403 29.171 ( -6.959 -5.012 2.083) 8.826 29.579 ( -6.456 11.619 -2.153) 13.465 29.760 ( -0.837 -6.329 -3.814) 7.436 30.006 ( -2.427 2.548 7.096) 7.921 30.016 ( 1.143 2.426 3.295) 4.249 30.133 ( 0.222 4.198 -1.725) 4.544 30.281 ( 3.100 -10.678 -3.779) 11.743 30.593 ( -3.321 3.946 -2.029) 5.542 30.717 ( -0.318 -8.682 0.974) 8.742 31.365 ( 10.007 7.967 2.292) 12.995 31.514 ( 8.183 -8.307 0.974) 11.702 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 1.915 11.014 0.900) 11.216 1.819 ( -5.266 -3.903 -5.334) 8.451 1.894 ( -4.986 3.296 -5.796) 8.326 1.953 ( -4.726 6.345 -9.152) 12.097 2.000 ( -2.870 -5.620 -3.093) 7.028 2.061 ( -7.062 -3.814 -9.056) 12.100 2.265 ( -0.666 4.710 -9.314) 10.458 2.304 ( -1.750 0.395 0.867) 1.992 2.523 ( -1.106 -1.750 -3.847) 4.369 2.550 ( 2.235 -4.845 -8.705) 10.210 2.600 ( 3.859 1.064 3.094) 5.059 2.685 ( 2.830 -6.191 -1.583) 6.989 2.726 ( -2.646 -1.315 3.974) 4.952 2.760 ( -0.257 -5.401 6.258) 8.270 2.960 ( 0.314 3.583 -2.372) 4.309 3.006 ( -0.380 -1.421 1.466) 2.077 3.089 ( 5.371 4.911 0.253) 7.282 3.176 ( 3.793 -2.086 -0.119) 4.331 3.240 ( 1.566 7.118 1.032) 7.360 3.292 ( 1.368 1.573 1.328) 2.472 3.455 ( 2.730 4.118 0.254) 4.948 3.494 ( 6.548 -0.519 -1.766) 6.802 3.699 ( 0.085 9.226 0.040) 9.226 3.767 ( 3.806 3.405 5.052) 7.184 3.840 ( 7.055 7.238 0.029) 10.107 3.865 ( -0.636 4.784 -0.253) 4.832 4.007 ( -0.940 -2.712 3.103) 4.227 4.037 ( 7.055 -6.744 -3.945) 10.527 4.148 ( -2.422 3.102 5.751) 6.969 4.159 ( 0.552 1.255 4.167) 4.386 4.197 ( -1.770 2.316 -0.983) 3.076 4.243 ( 2.406 -3.438 4.218) 5.950 4.337 ( -2.212 0.375 3.969) 4.559 4.376 ( 1.847 -3.549 3.904) 5.590 4.410 ( 0.749 -3.813 3.802) 5.436 4.430 ( 2.316 -0.886 1.225) 2.766 4.532 ( -1.225 -0.583 -1.383) 1.937 4.578 ( 0.329 3.780 2.835) 4.736 4.607 ( -2.101 -10.311 -1.982) 10.707 4.642 ( -1.681 -1.826 0.010) 2.482 4.784 ( -6.042 2.734 0.382) 6.643 4.870 ( -3.108 -4.823 -0.382) 5.750 4.998 ( -1.187 3.985 3.143) 5.213 5.081 ( -0.371 -4.428 3.578) 5.705 5.261 ( -0.195 2.436 -5.460) 5.982 5.291 ( 0.720 -0.157 -5.541) 5.590 5.380 ( 0.844 3.400 -0.268) 3.514 5.394 ( 2.296 1.346 -1.730) 3.175 5.456 ( -1.943 1.603 0.435) 2.556 5.500 ( -2.249 -1.795 0.385) 2.903 5.582 ( -2.841 -0.973 -5.679) 6.424 5.596 ( -2.709 -1.577 -3.324) 4.569 5.698 ( 1.451 1.721 2.587) 3.430 5.769 ( 0.135 -5.072 1.384) 5.259 5.898 ( -2.190 0.845 1.757) 2.932 5.943 ( -1.028 -3.722 0.038) 3.862 6.068 ( -1.431 1.720 -0.936) 2.425 6.110 ( -2.334 -3.141 -0.358) 3.930 6.257 ( 3.107 -0.522 -1.045) 3.319 6.265 ( 0.908 -1.180 -1.691) 2.253 6.377 ( 0.115 -0.080 -1.799) 1.804 6.398 ( -1.714 -2.291 -1.978) 3.479 6.549 ( -2.279 2.093 1.550) 3.460 6.595 ( -0.934 -2.504 2.899) 3.943 6.779 ( -0.514 5.282 0.415) 5.323 6.863 ( 1.666 -1.954 1.774) 3.121 7.076 ( -4.591 2.541 -0.577) 5.279 7.152 ( -5.427 -3.807 -0.981) 6.701 7.371 ( -1.663 3.431 -0.134) 3.815 7.400 ( 0.004 -0.180 0.062) 0.191 7.514 ( 0.051 0.509 0.288) 0.587 7.565 ( 1.052 -1.439 -1.823) 2.550 7.746 ( -2.027 1.654 0.126) 2.619 7.810 ( 0.679 -2.927 2.554) 3.943 7.920 ( -0.349 3.634 5.304) 6.439 7.993 ( -0.485 -2.393 -0.081) 2.443 8.174 ( 1.512 3.865 3.489) 5.422 8.275 ( 1.307 -5.998 -0.309) 6.146 8.428 ( -4.074 7.122 -0.391) 8.214 8.533 ( -0.062 5.228 -4.600) 6.963 8.550 ( -4.152 -5.320 0.356) 6.758 8.618 ( -1.578 -4.498 -3.760) 6.071 8.724 ( -4.491 9.159 1.102) 10.260 8.894 ( -2.655 -7.645 3.498) 8.816 9.023 ( -0.729 1.922 -0.433) 2.101 9.038 ( 2.670 0.748 -1.572) 3.188 9.089 ( -0.906 5.591 -3.687) 6.758 9.231 ( -1.057 -6.081 -3.585) 7.138 9.326 ( -1.220 3.160 1.157) 3.579 9.390 ( 4.516 -1.824 -0.702) 4.920 9.552 ( -0.072 3.789 0.515) 3.824 9.595 ( 1.114 -0.574 0.085) 1.257 9.684 ( 0.375 -0.770 -1.258) 1.522 9.736 ( 0.874 -6.634 -1.062) 6.776 10.015 ( 3.065 4.445 1.466) 5.595 10.088 ( 0.214 -1.958 0.531) 2.040 10.247 ( 1.470 0.855 0.067) 1.702 10.275 ( 0.562 -3.072 -0.649) 3.189 10.437 ( 2.069 2.686 -0.703) 3.463 10.474 ( 1.713 -0.390 -2.278) 2.877 10.615 ( -3.057 3.232 1.797) 4.798 10.743 ( -3.031 -8.182 0.684) 8.752 10.811 ( 0.771 -1.725 -1.238) 2.258 10.848 ( -0.803 -5.506 -4.222) 6.985 11.153 ( -0.939 3.788 -2.749) 4.774 11.196 ( -1.316 -0.411 -3.682) 3.932 11.425 ( 3.087 4.219 1.720) 5.504 11.452 ( 2.679 1.379 4.269) 5.226 12.011 ( 0.039 -0.057 1.210) 1.212 12.024 ( 0.908 -1.423 -0.271) 1.710 12.237 ( 0.658 3.730 3.443) 5.119 12.247 ( 2.587 -0.765 4.224) 5.012 12.322 ( -2.028 -1.592 2.490) 3.584 12.396 ( -2.903 -3.632 3.609) 5.886 12.481 ( -2.509 -3.378 -2.149) 4.725 12.511 ( -0.841 -4.544 0.224) 4.626 12.620 ( 2.222 3.516 5.371) 6.793 12.683 ( -1.178 -1.547 2.445) 3.124 12.769 ( -0.279 2.561 0.266) 2.590 12.805 ( 1.076 -3.272 0.322) 3.460 12.886 ( -3.353 3.520 -1.843) 5.199 12.995 ( -3.457 -7.307 -3.686) 8.884 13.099 ( 0.539 4.383 0.009) 4.416 13.168 ( 1.380 -2.357 -0.990) 2.905 13.174 ( -2.050 3.910 0.391) 4.432 13.269 ( -0.961 -3.031 -1.382) 3.467 13.349 ( 4.231 1.125 -2.104) 4.857 13.426 ( 3.187 -5.142 -0.513) 6.071 13.826 ( 4.571 3.214 0.311) 5.597 13.870 ( 5.478 -1.582 0.033) 5.702 13.951 ( 0.357 6.230 2.161) 6.603 13.995 ( -1.153 2.943 -3.434) 4.667 14.119 ( -4.475 0.536 2.594) 5.200 14.185 ( -5.832 -6.094 9.122) 12.425 14.273 ( -5.147 8.681 -4.302) 10.971 14.431 ( -3.415 -7.356 -1.835) 8.315 14.668 ( -2.482 4.182 -0.773) 4.924 14.758 ( -0.458 -4.287 -1.192) 4.473 14.885 ( 4.090 6.518 1.129) 7.777 14.983 ( 2.196 -4.398 0.182) 4.920 15.312 ( 2.585 8.219 -3.338) 9.239 15.369 ( 1.787 0.387 0.178) 1.837 15.478 ( -1.396 3.309 -1.261) 3.806 15.496 ( -1.595 1.977 0.929) 2.705 15.594 ( -1.483 3.103 0.369) 3.459 15.623 ( -0.918 0.778 0.053) 1.204 15.942 ( 3.239 8.075 -0.704) 8.729 15.988 ( -2.305 2.987 -0.372) 3.791 16.048 ( 0.015 -2.363 -1.705) 2.914 16.102 ( -0.013 -7.651 -1.444) 7.786 16.436 ( 1.799 3.156 -1.746) 4.030 16.511 ( 1.150 -4.996 -1.513) 5.345 16.694 ( 0.242 4.870 4.696) 6.770 16.838 ( 0.867 -9.116 1.442) 9.270 16.989 ( 3.067 -1.237 -0.489) 3.343 17.010 ( 4.125 -2.980 -2.099) 5.505 19.274 ( 0.812 3.576 -0.033) 3.667 19.370 ( 0.180 -6.514 0.002) 6.516 19.501 ( -1.086 4.776 0.707) 4.949 19.598 ( -1.743 -5.632 -0.816) 5.952 21.107 ( 0.407 3.248 -0.735) 3.354 21.148 ( 0.393 -1.061 -2.808) 3.027 21.250 ( 0.437 2.485 -0.022) 2.523 21.279 ( -1.340 -0.648 0.003) 1.488 25.053 ( 0.466 0.982 1.321) 1.711 25.070 ( 0.436 -0.787 1.748) 1.966 25.494 ( 1.797 1.265 0.827) 2.348 25.539 ( 2.437 -3.717 2.126) 4.927 26.033 ( -0.372 2.885 -1.443) 3.247 26.064 ( -0.435 -0.337 -1.319) 1.429 26.244 ( -0.376 0.834 1.232) 1.534 26.250 ( -0.496 0.289 1.242) 1.368 26.806 ( -0.269 4.099 0.760) 4.178 26.899 ( -0.116 -5.936 2.710) 6.526 27.139 ( -0.216 0.942 1.654) 1.916 27.180 ( 2.333 -3.519 3.512) 5.492 27.333 ( 4.454 1.066 -0.465) 4.603 27.356 ( 4.352 -1.224 -1.707) 4.833 27.459 ( 1.662 1.402 -0.395) 2.210 27.491 ( 0.075 -2.039 -1.424) 2.488 27.724 ( -3.111 4.200 -1.496) 5.436 27.766 ( 0.223 0.196 0.008) 0.297 27.987 ( 2.933 3.762 1.989) 5.168 28.032 ( 2.240 -0.890 4.169) 4.816 28.218 ( -0.111 5.346 0.815) 5.409 28.319 ( -4.432 -2.874 -0.118) 5.283 28.347 ( -1.133 1.632 -5.860) 6.187 28.431 ( 1.756 -1.317 0.872) 2.362 28.515 ( -0.174 -0.791 -1.786) 1.961 28.530 ( -2.879 -4.018 -4.611) 6.760 28.636 ( -3.510 1.881 -1.276) 4.182 28.689 ( -3.898 -3.606 -2.636) 5.928 29.025 ( -4.281 4.506 2.961) 6.884 29.110 ( -2.786 -2.933 1.492) 4.312 29.453 ( -5.058 11.795 -1.278) 12.897 29.685 ( -2.610 -10.688 -3.365) 11.505 30.021 ( -0.784 2.590 2.492) 3.678 30.056 ( -1.058 -0.620 4.545) 4.707 30.116 ( -0.541 3.428 -0.804) 3.563 30.230 ( -1.790 -8.448 -4.909) 9.933 30.567 ( 1.218 9.953 -0.988) 10.075 30.771 ( 3.204 -11.579 1.487) 12.105 31.531 ( 6.078 5.408 2.225) 8.435 31.625 ( 3.584 -4.663 0.776) 5.933 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 0.000 4.960 0.000) 4.960 1.697 ( 0.000 -7.290 0.000) 7.290 1.795 ( 0.000 7.315 0.000) 7.315 1.911 ( 0.000 6.366 0.000) 6.366 1.944 ( -0.000 -7.171 0.000) 7.171 1.957 ( 0.000 1.504 0.000) 1.504 2.219 ( 0.000 6.329 0.000) 6.329 2.313 ( 0.000 -1.328 0.000) 1.328 2.488 ( 0.000 0.188 -0.000) 0.188 2.517 ( -0.000 -5.652 0.000) 5.652 2.671 ( -0.000 -1.682 -0.000) 1.682 2.676 ( 0.000 -0.408 0.000) 0.408 2.729 ( 0.000 -1.366 0.000) 1.366 2.780 ( 0.000 -6.322 0.000) 6.322 2.939 ( 0.000 2.764 0.000) 2.764 2.977 ( 0.000 -1.019 -0.000) 1.019 3.190 ( 0.000 3.871 0.000) 3.871 3.223 ( 0.000 4.848 0.000) 4.848 3.275 ( -0.000 -3.725 -0.000) 3.725 3.277 ( 0.000 3.578 0.000) 3.578 3.470 ( 0.000 5.627 0.000) 5.627 3.548 ( 0.000 -2.552 0.000) 2.552 3.700 ( 0.000 12.489 0.000) 12.489 3.799 ( 0.000 3.668 0.000) 3.668 3.851 ( 0.000 -5.174 -0.000) 5.174 3.944 ( 0.000 -6.945 0.000) 6.945 4.030 ( -0.000 11.233 0.000) 11.233 4.088 ( 0.000 9.892 0.000) 9.892 4.132 ( 0.000 1.701 0.000) 1.701 4.161 ( 0.000 6.964 0.000) 6.964 4.246 ( 0.000 0.644 -0.000) 0.644 4.311 ( -0.000 1.014 -0.000) 1.014 4.312 ( 0.000 -4.924 0.000) 4.924 4.343 ( 0.000 -3.893 0.000) 3.893 4.438 ( 0.000 -12.443 0.000) 12.443 4.494 ( 0.000 -7.456 -0.000) 7.456 4.541 ( 0.000 -1.838 0.000) 1.838 4.592 ( 0.000 -2.661 0.000) 2.661 4.631 ( -0.000 -1.251 -0.000) 1.251 4.638 ( 0.000 4.739 0.000) 4.739 4.681 ( 0.000 2.647 0.000) 2.647 4.825 ( 0.000 -7.469 -0.000) 7.469 5.013 ( 0.000 4.004 0.000) 4.004 5.095 ( 0.000 -4.104 -0.000) 4.104 5.246 ( 0.000 0.246 0.000) 0.246 5.251 ( 0.000 1.012 -0.000) 1.012 5.387 ( 0.000 6.354 -0.000) 6.354 5.405 ( 0.000 0.600 0.000) 0.600 5.444 ( 0.000 0.493 -0.000) 0.493 5.471 ( 0.000 0.034 0.000) 0.034 5.530 ( 0.000 -1.751 0.000) 1.751 5.550 ( 0.000 -4.052 0.000) 4.052 5.727 ( 0.000 2.062 0.000) 2.062 5.779 ( 0.000 -4.069 -0.000) 4.069 5.919 ( 0.000 0.624 0.000) 0.624 5.920 ( -0.000 -0.315 -0.000) 0.315 6.052 ( 0.000 -1.388 0.000) 1.388 6.070 ( 0.000 -2.333 0.000) 2.333 6.265 ( 0.000 -0.962 0.000) 0.962 6.280 ( 0.000 -2.411 -0.000) 2.411 6.371 ( 0.000 -1.313 0.000) 1.313 6.372 ( 0.000 -0.934 0.000) 0.934 6.529 ( 0.000 2.626 0.000) 2.626 6.595 ( 0.000 -4.373 0.000) 4.373 6.785 ( 0.000 8.778 0.000) 8.778 6.938 ( 0.000 -6.800 -0.000) 6.800 6.975 ( 0.000 7.045 0.000) 7.045 7.093 ( 0.000 -5.489 0.000) 5.489 7.353 ( 0.000 4.413 0.000) 4.413 7.403 ( 0.000 -1.588 0.000) 1.588 7.514 ( 0.000 -0.026 0.000) 0.026 7.570 ( 0.000 -4.949 0.000) 4.949 7.728 ( 0.000 5.853 0.000) 5.853 7.832 ( 0.000 -3.704 0.000) 3.704 7.946 ( 0.000 2.534 -0.000) 2.534 7.984 ( 0.000 -0.867 0.000) 0.867 8.218 ( 0.000 5.259 0.000) 5.259 8.320 ( 0.000 -5.367 0.000) 5.367 8.371 ( 0.000 5.328 0.000) 5.328 8.466 ( 0.000 -4.137 0.000) 4.137 8.527 ( 0.000 1.728 -0.000) 1.728 8.576 ( 0.000 -2.146 0.000) 2.146 8.693 ( 0.000 11.699 0.000) 11.699 8.895 ( 0.000 -8.420 -0.000) 8.420 9.004 ( 0.000 6.079 0.000) 6.079 9.061 ( 0.000 1.013 0.000) 1.013 9.070 ( 0.000 1.662 0.000) 1.662 9.193 ( 0.000 -12.608 0.000) 12.608 9.326 ( 0.000 8.480 0.000) 8.480 9.434 ( 0.000 -2.261 -0.000) 2.261 9.553 ( 0.000 2.768 0.000) 2.768 9.595 ( 0.000 -2.677 0.000) 2.677 9.676 ( 0.000 2.303 0.000) 2.303 9.746 ( 0.000 -5.719 0.000) 5.719 10.066 ( -0.000 2.975 -0.000) 2.975 10.083 ( 0.000 1.479 0.000) 1.479 10.268 ( 0.000 -1.520 0.000) 1.520 10.272 ( 0.000 -1.594 0.000) 1.594 10.458 ( 0.000 1.292 0.000) 1.292 10.463 ( -0.000 2.721 -0.000) 2.721 10.592 ( 0.000 1.002 0.000) 1.002 10.708 ( 0.000 -8.255 0.000) 8.255 10.815 ( 0.000 -4.067 0.000) 4.067 10.820 ( 0.000 -3.712 -0.000) 3.712 11.132 ( 0.000 3.375 0.000) 3.375 11.168 ( 0.000 -0.278 0.000) 0.278 11.462 ( 0.000 4.894 0.000) 4.894 11.497 ( 0.000 1.657 0.000) 1.657 12.019 ( 0.000 0.388 0.000) 0.388 12.039 ( 0.000 -1.999 0.000) 1.999 12.242 ( 0.000 6.927 0.000) 6.927 12.307 ( 0.000 -0.072 -0.000) 0.072 12.327 ( 0.000 -5.002 0.000) 5.002 12.416 ( 0.000 1.260 0.000) 1.260 12.422 ( 0.000 -10.026 0.000) 10.026 12.504 ( 0.000 -7.391 0.000) 7.391 12.671 ( 0.000 2.019 -0.000) 2.019 12.676 ( 0.000 0.763 -0.000) 0.763 12.781 ( 0.000 6.435 -0.000) 6.435 12.823 ( 0.000 -0.566 0.000) 0.566 12.835 ( 0.000 -3.258 0.000) 3.258 12.947 ( 0.000 -8.482 -0.000) 8.482 13.113 ( 0.000 5.675 0.000) 5.675 13.150 ( 0.000 4.947 -0.000) 4.947 13.169 ( 0.000 -1.276 0.000) 1.276 13.254 ( 0.000 -3.819 0.000) 3.819 13.381 ( 0.000 0.806 0.000) 0.806 13.452 ( 0.000 -5.465 0.000) 5.465 13.888 ( 0.000 2.368 -0.000) 2.368 13.914 ( 0.000 1.251 0.000) 1.251 13.944 ( -0.000 1.929 0.000) 1.929 13.947 ( 0.000 3.112 -0.000) 3.112 14.090 ( 0.000 7.135 -0.000) 7.135 14.197 ( 0.000 -6.431 -0.000) 6.431 14.213 ( 0.000 8.484 0.000) 8.484 14.391 ( 0.000 -9.432 0.000) 9.432 14.635 ( 0.000 4.150 0.000) 4.150 14.741 ( 0.000 -5.034 -0.000) 5.034 14.932 ( 0.000 5.312 -0.000) 5.312 15.006 ( 0.000 -3.049 0.000) 3.049 15.322 ( 0.000 9.789 0.000) 9.789 15.397 ( 0.000 -0.207 0.000) 0.207 15.450 ( 0.000 4.094 0.000) 4.094 15.487 ( 0.000 -0.073 0.000) 0.073 15.583 ( 0.000 3.091 0.000) 3.091 15.617 ( 0.000 1.127 -0.000) 1.127 15.962 ( 0.000 2.900 -0.000) 2.900 15.971 ( 0.000 7.890 -0.000) 7.890 16.035 ( 0.000 -3.659 0.000) 3.659 16.096 ( 0.000 -5.451 0.000) 5.451 16.438 ( 0.000 1.663 0.000) 1.663 16.515 ( 0.000 -6.508 -0.000) 6.508 16.727 ( 0.000 5.767 0.000) 5.767 16.855 ( 0.000 -6.769 0.000) 6.769 17.017 ( 0.000 -2.510 0.000) 2.510 17.032 ( 0.000 -3.292 -0.000) 3.292 19.281 ( 0.000 3.339 0.000) 3.339 19.371 ( 0.000 -6.240 0.000) 6.240 19.496 ( 0.000 3.913 -0.000) 3.913 19.576 ( 0.000 -4.798 0.000) 4.798 21.103 ( 0.000 2.708 0.000) 2.708 21.139 ( 0.000 -1.039 -0.000) 1.039 21.251 ( 0.000 2.319 0.000) 2.319 21.268 ( 0.000 0.282 0.000) 0.282 25.064 ( 0.000 1.066 0.000) 1.066 25.083 ( 0.000 -0.886 0.000) 0.886 25.515 ( 0.000 1.872 0.000) 1.872 25.573 ( 0.000 -4.534 0.000) 4.534 26.022 ( 0.000 2.845 0.000) 2.845 26.054 ( 0.000 -0.394 0.000) 0.394 26.246 ( 0.000 0.762 -0.000) 0.762 26.251 ( 0.000 0.331 0.000) 0.331 26.806 ( 0.000 4.940 0.000) 4.940 26.910 ( 0.000 -6.238 0.000) 6.238 27.148 ( 0.000 2.590 0.000) 2.590 27.224 ( 0.000 -5.739 0.000) 5.739 27.370 ( 0.000 0.762 0.000) 0.762 27.389 ( 0.000 -1.291 -0.000) 1.291 27.473 ( 0.000 0.604 0.000) 0.604 27.483 ( 0.000 -0.542 -0.000) 0.542 27.692 ( 0.000 4.832 0.000) 4.832 27.767 ( 0.000 -3.392 -0.000) 3.392 28.049 ( 0.000 7.154 0.000) 7.154 28.137 ( -0.000 6.031 -0.000) 6.031 28.139 ( 0.000 -3.531 0.000) 3.531 28.262 ( 0.000 -7.633 -0.000) 7.633 28.287 ( 0.000 9.212 0.000) 9.212 28.458 ( 0.000 -7.726 -0.000) 7.726 28.496 ( 0.000 3.030 0.000) 3.030 28.546 ( 0.000 -2.699 0.000) 2.699 28.574 ( 0.000 2.001 0.000) 2.001 28.626 ( 0.000 -3.635 0.000) 3.635 28.999 ( 0.000 5.892 0.000) 5.892 29.094 ( 0.000 -1.750 0.000) 1.750 29.401 ( 0.000 10.329 0.000) 10.329 29.639 ( 0.000 -12.417 0.000) 12.417 30.028 ( 0.000 2.919 0.000) 2.919 30.076 ( 0.000 -2.227 0.000) 2.227 30.103 ( 0.000 2.274 -0.000) 2.274 30.181 ( 0.000 -6.684 0.000) 6.684 30.578 ( 0.000 12.285 -0.000) 12.285 30.811 ( 0.000 -12.652 0.000) 12.652 31.599 ( 0.000 3.678 0.000) 3.678 31.656 ( 0.000 -2.514 0.000) 2.514 ======================= Grid point 45 (16/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -9.937 0.000 28.253) 29.950 0.743 ( -8.603 0.000 36.736) 37.730 1.184 ( 6.895 0.000 57.802) 58.212 1.942 ( 7.892 0.000 11.644) 14.066 1.965 ( 11.264 0.000 -17.308) 20.651 2.238 ( 7.378 0.000 -1.344) 7.499 2.377 ( 7.644 0.000 -7.686) 10.840 2.400 ( -0.806 0.000 -0.366) 0.885 2.471 ( 1.460 0.000 -2.382) 2.794 2.492 ( -3.136 0.000 10.037) 10.515 2.573 ( -1.972 0.000 -5.488) 5.832 2.672 ( 6.040 0.000 -4.182) 7.347 2.719 ( 0.244 0.000 0.914) 0.946 2.805 ( 3.230 0.000 1.971) 3.784 2.868 ( -3.838 0.000 3.891) 5.465 2.975 ( -4.686 0.000 0.697) 4.738 3.019 ( -1.741 0.000 -4.684) 4.997 3.075 ( 3.822 0.000 5.337) 6.564 3.156 ( 0.934 0.000 0.118) 0.941 3.251 ( -7.519 0.000 0.611) 7.544 3.316 ( 4.638 0.000 1.770) 4.964 3.337 ( 0.306 0.000 -5.857) 5.865 3.492 ( -0.948 0.000 5.883) 5.959 3.624 ( 5.245 0.000 3.452) 6.279 3.689 ( 2.709 0.000 -3.147) 4.153 3.822 ( 3.285 0.000 -5.341) 6.271 3.903 ( -1.812 0.000 4.998) 5.316 3.939 ( -4.458 0.000 -4.487) 6.326 4.024 ( -1.433 0.000 0.359) 1.478 4.142 ( -2.779 0.000 -0.902) 2.921 4.160 ( -5.123 0.000 3.732) 6.338 4.241 ( -4.286 0.000 -3.087) 5.282 4.354 ( 5.191 0.000 -4.346) 6.770 4.406 ( -1.924 0.000 1.626) 2.520 4.471 ( -2.297 0.000 -2.734) 3.571 4.551 ( -0.656 0.000 0.011) 0.656 4.640 ( 6.085 0.000 -2.494) 6.576 4.691 ( -3.028 0.000 -3.741) 4.813 4.767 ( 2.084 0.000 6.389) 6.721 4.772 ( 1.982 0.000 0.116) 1.986 4.835 ( 1.403 0.000 2.008) 2.450 5.029 ( -1.162 0.000 5.138) 5.268 5.145 ( 0.736 0.000 -6.027) 6.072 5.175 ( 1.109 0.000 -3.773) 3.933 5.246 ( -3.477 0.000 -7.210) 8.004 5.292 ( -3.812 0.000 -3.401) 5.109 5.325 ( -4.390 0.000 -5.060) 6.699 5.460 ( -1.850 0.000 -1.634) 2.468 5.463 ( 3.091 0.000 -2.171) 3.777 5.592 ( -2.893 0.000 0.442) 2.926 5.722 ( -1.560 0.000 -1.761) 2.353 5.739 ( -5.677 0.000 -1.467) 5.863 5.893 ( 0.071 0.000 3.742) 3.743 5.911 ( 1.959 0.000 -6.444) 6.735 5.964 ( 2.206 0.000 -1.012) 2.427 6.051 ( -0.089 0.000 -4.148) 4.149 6.167 ( -0.561 0.000 -3.236) 3.284 6.189 ( 1.100 0.000 -5.547) 5.655 6.244 ( 0.512 0.000 1.962) 2.028 6.316 ( 6.608 0.000 0.896) 6.668 6.376 ( -1.836 0.000 2.853) 3.393 6.395 ( 1.211 0.000 2.398) 2.687 6.590 ( 1.915 0.000 0.648) 2.022 6.663 ( -1.093 0.000 -0.870) 1.397 6.795 ( 4.457 0.000 8.595) 9.682 6.947 ( -2.321 0.000 9.475) 9.755 7.024 ( 3.455 0.000 0.893) 3.568 7.174 ( -3.371 0.000 1.378) 3.641 7.235 ( -3.402 0.000 -0.703) 3.474 7.319 ( 1.195 0.000 -1.941) 2.279 7.440 ( 8.019 0.000 0.639) 8.045 7.496 ( -3.122 0.000 1.107) 3.313 7.722 ( -0.134 0.000 3.661) 3.663 7.740 ( 0.966 0.000 2.399) 2.586 7.904 ( 2.586 0.000 1.506) 2.992 8.043 ( -2.450 0.000 -3.317) 4.123 8.485 ( 1.324 0.000 -4.382) 4.578 8.500 ( 31.044 0.000 -5.246) 31.484 8.529 ( 4.024 0.000 -3.732) 5.488 8.539 ( -3.056 0.000 0.629) 3.120 8.566 ( -3.600 0.000 3.891) 5.301 8.843 ( -2.473 0.000 -1.600) 2.946 8.875 ( -2.336 0.000 0.493) 2.387 8.885 ( -10.009 0.000 0.903) 10.050 9.068 ( -0.815 0.000 -0.517) 0.965 9.072 ( -0.374 0.000 -0.290) 0.473 9.170 ( 4.035 0.000 -2.748) 4.882 9.223 ( 4.277 0.000 -3.304) 5.405 9.304 ( -6.734 0.000 3.162) 7.439 9.415 ( -5.651 0.000 1.605) 5.875 9.435 ( -3.129 0.000 -2.514) 4.014 9.526 ( -4.175 0.000 4.444) 6.098 9.610 ( 5.904 0.000 -2.361) 6.359 9.737 ( -5.283 0.000 5.914) 7.930 9.973 ( -0.128 0.000 -2.467) 2.470 10.118 ( 2.949 0.000 -3.914) 4.901 10.130 ( 6.204 0.000 -5.639) 8.384 10.311 ( -2.473 0.000 -2.412) 3.455 10.400 ( -4.286 0.000 6.748) 7.994 10.432 ( -1.714 0.000 0.668) 1.840 10.751 ( 7.695 0.000 5.139) 9.253 10.825 ( 0.565 0.000 -1.231) 1.354 10.973 ( 1.575 0.000 2.939) 3.334 10.986 ( -2.528 0.000 1.338) 2.860 11.115 ( 4.251 0.000 4.565) 6.238 11.238 ( 2.835 0.000 -9.808) 10.210 11.406 ( -0.957 0.000 -6.449) 6.520 11.462 ( -3.804 0.000 -3.093) 4.902 12.015 ( 1.352 0.000 2.123) 2.517 12.140 ( -9.867 0.000 -3.267) 10.394 12.220 ( -0.923 0.000 3.520) 3.639 12.304 ( -1.651 0.000 4.713) 4.994 12.319 ( 1.702 0.000 4.909) 5.196 12.357 ( 2.706 0.000 1.314) 3.008 12.383 ( -0.582 0.000 2.850) 2.909 12.459 ( -2.587 0.000 -0.627) 2.662 12.513 ( 1.810 0.000 -1.633) 2.438 12.736 ( 1.903 0.000 1.313) 2.312 12.820 ( -2.147 0.000 1.962) 2.908 12.864 ( 0.452 0.000 -6.115) 6.132 13.026 ( -0.557 0.000 -4.455) 4.490 13.084 ( 4.174 0.000 0.409) 4.194 13.135 ( -0.149 0.000 -1.154) 1.163 13.181 ( -4.853 0.000 4.873) 6.877 13.268 ( -1.712 0.000 1.188) 2.084 13.289 ( 0.511 0.000 2.414) 2.468 13.383 ( 0.347 0.000 -0.133) 0.371 13.564 ( 15.857 0.000 4.102) 16.379 13.624 ( 1.520 0.000 1.935) 2.461 13.691 ( 4.484 0.000 -0.518) 4.514 13.753 ( -1.996 0.000 -1.168) 2.313 14.049 ( 3.685 0.000 6.019) 7.057 14.127 ( 3.127 0.000 -9.002) 9.530 14.249 ( -6.112 0.000 -0.357) 6.122 14.332 ( -2.642 0.000 1.421) 3.000 14.426 ( 2.251 0.000 1.846) 2.911 14.608 ( 0.432 0.000 -5.698) 5.714 14.613 ( -1.284 0.000 -5.430) 5.579 14.888 ( -15.696 0.000 3.839) 16.159 14.892 ( 3.017 0.000 2.940) 4.213 15.133 ( 0.921 0.000 0.802) 1.221 15.308 ( -0.905 0.000 0.625) 1.100 15.381 ( 0.100 0.000 -2.023) 2.025 15.501 ( -4.428 0.000 -7.715) 8.895 15.529 ( -0.401 0.000 3.713) 3.735 15.625 ( 0.377 0.000 0.215) 0.435 16.043 ( -34.725 0.000 2.419) 34.809 16.082 ( -1.513 0.000 5.614) 5.814 16.203 ( -1.237 0.000 1.706) 2.107 16.207 ( -2.762 0.000 -2.529) 3.745 16.395 ( 4.076 0.000 -2.662) 4.868 16.538 ( 6.779 0.000 -1.534) 6.950 16.606 ( -9.716 0.000 -4.392) 10.663 16.741 ( 2.775 0.000 -3.285) 4.301 16.807 ( -1.958 0.000 1.483) 2.457 16.812 ( -2.215 0.000 1.700) 2.792 19.150 ( -2.975 0.000 0.806) 3.082 19.303 ( 1.132 0.000 -3.457) 3.637 19.617 ( 0.232 0.000 2.757) 2.767 19.825 ( -0.591 0.000 -1.784) 1.879 20.905 ( -0.300 0.000 2.202) 2.222 21.059 ( -0.601 0.000 -1.541) 1.654 21.314 ( -0.386 0.000 1.923) 1.961 21.498 ( 4.896 0.000 -2.094) 5.325 25.004 ( -0.823 0.000 1.831) 2.007 25.263 ( -7.150 0.000 -6.090) 9.392 25.368 ( 2.462 0.000 5.901) 6.394 25.491 ( -10.309 0.000 3.674) 10.944 25.991 ( -1.455 0.000 -3.830) 4.097 26.076 ( -1.211 0.000 -5.137) 5.278 26.186 ( 0.914 0.000 3.981) 4.085 26.250 ( -0.877 0.000 2.687) 2.827 26.651 ( 24.605 0.000 3.254) 24.820 26.704 ( 1.625 0.000 4.172) 4.477 27.009 ( 0.403 0.000 4.612) 4.629 27.147 ( -5.344 0.000 -1.955) 5.691 27.164 ( -1.449 0.000 -1.723) 2.251 27.353 ( -0.941 0.000 -2.363) 2.543 27.540 ( -9.192 0.000 0.034) 9.192 27.555 ( -0.302 0.000 -1.451) 1.482 27.558 ( 1.197 0.000 -1.340) 1.797 27.674 ( -1.194 0.000 -4.017) 4.191 27.932 ( 4.032 0.000 2.995) 5.023 28.186 ( -3.025 0.000 -1.678) 3.459 28.216 ( -1.984 0.000 -3.670) 4.172 28.246 ( 0.201 0.000 -3.040) 3.046 28.399 ( -0.187 0.000 3.792) 3.796 28.544 ( 14.082 0.000 -1.844) 14.202 28.605 ( 3.438 0.000 0.937) 3.563 28.703 ( -0.008 0.000 -0.232) 0.233 28.967 ( 2.200 0.000 5.310) 5.747 29.125 ( -4.910 0.000 2.157) 5.363 29.261 ( -28.638 0.000 2.044) 28.711 29.424 ( 1.599 0.000 -2.280) 2.785 29.543 ( 5.395 0.000 -2.129) 5.800 29.587 ( 0.501 0.000 -3.987) 4.018 29.873 ( -6.039 0.000 2.569) 6.563 29.985 ( 26.508 0.000 -0.038) 26.508 30.070 ( -1.338 0.000 7.572) 7.690 30.417 ( 1.717 0.000 -1.722) 2.432 30.786 ( 3.791 0.000 -1.907) 4.244 30.819 ( -5.784 0.000 -1.769) 6.048 31.069 ( -2.184 0.000 0.185) 2.192 31.186 ( 17.674 0.000 -1.609) 17.747 ======================= Grid point 46 (17/63) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 7.385 0.000 19.992) 21.313 0.927 ( 0.485 0.000 28.525) 28.529 1.964 ( 14.144 0.000 -13.268) 19.393 2.137 ( 25.152 0.000 34.803) 42.941 2.146 ( 4.745 0.000 -4.733) 6.702 2.307 ( -6.467 0.000 -15.505) 16.800 2.337 ( -1.921 0.000 -1.752) 2.600 2.403 ( 7.579 0.000 -2.632) 8.023 2.480 ( 2.076 0.000 0.550) 2.147 2.496 ( -3.917 0.000 0.974) 4.036 2.515 ( -3.577 0.000 4.526) 5.769 2.737 ( 0.336 0.000 5.621) 5.631 2.769 ( 6.649 0.000 3.388) 7.462 2.826 ( -3.283 0.000 -3.029) 4.467 2.864 ( 0.557 0.000 0.295) 0.630 2.930 ( -3.399 0.000 3.044) 4.563 2.950 ( -1.177 0.000 -0.565) 1.306 3.023 ( -4.077 0.000 -4.783) 6.284 3.170 ( 0.226 0.000 1.761) 1.776 3.239 ( -1.220 0.000 2.834) 3.085 3.278 ( 3.033 0.000 -9.767) 10.227 3.348 ( -0.467 0.000 2.586) 2.628 3.552 ( -0.718 0.000 10.635) 10.659 3.683 ( -0.639 0.000 -2.226) 2.316 3.761 ( -3.587 0.000 -7.634) 8.434 3.768 ( 5.562 0.000 -3.595) 6.623 3.973 ( 9.721 0.000 10.363) 14.209 3.974 ( 2.584 0.000 2.577) 3.649 3.991 ( 2.574 0.000 -2.913) 3.888 4.000 ( -5.857 0.000 -3.061) 6.609 4.108 ( -2.651 0.000 2.664) 3.758 4.180 ( -2.898 0.000 -7.041) 7.614 4.335 ( 2.233 0.000 -5.151) 5.614 4.383 ( -2.064 0.000 0.062) 2.065 4.507 ( 2.519 0.000 6.094) 6.594 4.525 ( -1.406 0.000 -1.844) 2.319 4.588 ( -2.732 0.000 -2.902) 3.985 4.688 ( -0.672 0.000 5.568) 5.608 4.814 ( -3.725 0.000 -2.491) 4.481 4.862 ( 2.018 0.000 3.718) 4.230 4.878 ( 2.180 0.000 5.357) 5.783 5.035 ( -3.186 0.000 4.198) 5.271 5.075 ( -0.328 0.000 -3.573) 3.588 5.114 ( -3.707 0.000 -9.159) 9.881 5.163 ( -0.178 0.000 -4.341) 4.345 5.183 ( 1.579 0.000 -7.414) 7.580 5.239 ( -1.432 0.000 2.045) 2.497 5.401 ( -1.567 0.000 -3.912) 4.215 5.465 ( -1.205 0.000 -3.116) 3.341 5.551 ( 1.295 0.000 -2.515) 2.829 5.653 ( -3.268 0.000 1.431) 3.568 5.730 ( -1.176 0.000 3.252) 3.458 5.904 ( 2.164 0.000 -4.573) 5.059 5.917 ( -1.231 0.000 0.317) 1.271 5.956 ( -1.184 0.000 -1.196) 1.683 5.991 ( -3.766 0.000 -0.441) 3.792 6.132 ( 3.587 0.000 -6.792) 7.681 6.139 ( -0.756 0.000 -3.018) 3.111 6.285 ( 1.366 0.000 2.338) 2.708 6.328 ( -1.232 0.000 -3.559) 3.766 6.392 ( 0.978 0.000 1.139) 1.501 6.424 ( -0.337 0.000 5.186) 5.197 6.636 ( 2.027 0.000 1.472) 2.505 6.657 ( -1.151 0.000 -0.286) 1.186 6.836 ( -4.436 0.000 5.011) 6.692 7.028 ( -8.809 0.000 -0.225) 8.812 7.102 ( 0.131 0.000 2.559) 2.562 7.123 ( 5.658 0.000 4.421) 7.181 7.184 ( 0.044 0.000 0.037) 0.058 7.313 ( 0.798 0.000 -3.621) 3.708 7.468 ( -0.833 0.000 -1.269) 1.518 7.553 ( 5.919 0.000 -0.980) 6.000 7.760 ( 0.630 0.000 3.608) 3.663 7.767 ( -2.708 0.000 5.963) 6.549 7.947 ( -2.677 0.000 -4.038) 4.845 7.976 ( 2.707 0.000 2.097) 3.425 8.420 ( -8.237 0.000 -1.199) 8.324 8.464 ( 2.942 0.000 -5.996) 6.679 8.559 ( -2.881 0.000 5.213) 5.957 8.570 ( -0.156 0.000 0.425) 0.453 8.584 ( -10.703 0.000 -3.959) 11.412 8.702 ( -7.280 0.000 -3.322) 8.002 8.822 ( 7.871 0.000 -2.374) 8.221 8.869 ( 0.893 0.000 -1.427) 1.683 9.011 ( -4.732 0.000 -1.088) 4.855 9.054 ( -1.318 0.000 1.183) 1.771 9.195 ( 2.028 0.000 -2.215) 3.004 9.198 ( -4.658 0.000 -2.672) 5.370 9.261 ( -2.542 0.000 3.533) 4.353 9.360 ( -1.769 0.000 -0.727) 1.913 9.518 ( 7.291 0.000 3.523) 8.097 9.577 ( 2.028 0.000 3.727) 4.243 9.703 ( 7.955 0.000 -5.788) 9.838 9.722 ( -2.660 0.000 5.110) 5.761 9.961 ( 2.108 0.000 -2.095) 2.972 10.121 ( 0.779 0.000 -2.171) 2.307 10.170 ( 5.586 0.000 -5.530) 7.860 10.245 ( -1.781 0.000 -3.758) 4.159 10.382 ( -5.143 0.000 4.658) 6.940 10.432 ( 0.350 0.000 0.984) 1.044 10.816 ( -2.878 0.000 4.826) 5.619 10.826 ( 1.314 0.000 -2.194) 2.557 10.962 ( -0.385 0.000 2.009) 2.046 11.053 ( 1.943 0.000 5.163) 5.517 11.159 ( -0.705 0.000 -11.319) 11.341 11.254 ( -5.627 0.000 -7.162) 9.108 11.259 ( 5.002 0.000 6.604) 8.285 11.342 ( -7.646 0.000 -3.504) 8.411 12.002 ( -3.354 0.000 3.203) 4.638 12.088 ( 3.270 0.000 3.515) 4.801 12.194 ( -3.713 0.000 1.768) 4.112 12.282 ( -4.998 0.000 1.703) 5.280 12.385 ( -0.308 0.000 2.276) 2.297 12.392 ( -0.682 0.000 1.320) 1.486 12.447 ( 3.095 0.000 3.634) 4.774 12.460 ( 6.036 0.000 5.312) 8.041 12.568 ( 3.172 0.000 -2.230) 3.878 12.775 ( -1.257 0.000 6.091) 6.219 12.809 ( 2.096 0.000 -7.261) 7.558 12.811 ( 0.447 0.000 1.980) 2.030 13.015 ( 4.663 0.000 -5.331) 7.083 13.055 ( -4.048 0.000 -0.721) 4.112 13.091 ( -10.111 0.000 5.876) 11.695 13.167 ( 3.125 0.000 1.034) 3.292 13.284 ( -3.839 0.000 1.952) 4.307 13.309 ( 2.506 0.000 0.421) 2.541 13.395 ( 3.248 0.000 -0.709) 3.325 13.622 ( -6.600 0.000 -2.461) 7.044 13.681 ( 1.362 0.000 -0.750) 1.554 13.683 ( -0.124 0.000 0.345) 0.366 13.783 ( 5.007 0.000 0.194) 5.010 13.947 ( -8.001 0.000 -0.591) 8.023 14.251 ( 7.263 0.000 0.310) 7.270 14.298 ( 0.811 0.000 -3.720) 3.807 14.393 ( 5.744 0.000 0.278) 5.751 14.482 ( 4.485 0.000 -7.167) 8.455 14.514 ( -3.029 0.000 -4.391) 5.335 14.536 ( 2.944 0.000 0.177) 2.949 14.763 ( -5.053 0.000 4.792) 6.963 14.924 ( -2.781 0.000 2.934) 4.043 15.183 ( 1.220 0.000 4.399) 4.565 15.235 ( -4.546 0.000 -5.227) 6.927 15.371 ( 1.190 0.000 -1.717) 2.089 15.406 ( -0.125 0.000 -1.735) 1.740 15.560 ( 0.079 0.000 2.856) 2.858 15.612 ( -2.373 0.000 -0.191) 2.380 15.779 ( -8.277 0.000 9.214) 12.386 16.076 ( -4.010 0.000 3.176) 5.115 16.115 ( -3.343 0.000 -3.458) 4.810 16.198 ( 1.182 0.000 2.931) 3.160 16.473 ( -5.334 0.000 -1.661) 5.587 16.504 ( 5.054 0.000 2.026) 5.445 16.630 ( 5.334 0.000 0.786) 5.391 16.818 ( 8.529 0.000 -4.955) 9.864 16.863 ( 6.269 0.000 -0.873) 6.329 16.889 ( 6.097 0.000 1.248) 6.223 19.190 ( 3.834 0.000 -2.360) 4.502 19.296 ( 1.811 0.000 -1.821) 2.569 19.639 ( -1.521 0.000 3.644) 3.949 19.783 ( -1.324 0.000 -3.131) 3.399 20.945 ( 1.995 0.000 2.698) 3.355 21.053 ( 1.690 0.000 -2.318) 2.868 21.302 ( -3.130 0.000 1.678) 3.552 21.445 ( -5.208 0.000 -1.301) 5.368 25.018 ( -0.150 0.000 2.558) 2.563 25.121 ( -4.294 0.000 1.174) 4.452 25.459 ( -0.176 0.000 1.687) 1.696 25.510 ( 5.418 0.000 7.781) 9.482 25.946 ( -0.500 0.000 -1.766) 1.836 26.023 ( 0.140 0.000 -4.264) 4.266 26.229 ( 0.146 0.000 2.664) 2.668 26.256 ( -1.074 0.000 1.441) 1.797 26.757 ( 0.412 0.000 -1.272) 1.337 26.953 ( 10.701 0.000 -4.437) 11.584 27.065 ( 1.227 0.000 8.206) 8.297 27.120 ( 4.201 0.000 -0.711) 4.261 27.143 ( 2.680 0.000 -2.587) 3.725 27.340 ( 2.252 0.000 -1.222) 2.562 27.422 ( -6.794 0.000 3.878) 7.823 27.548 ( 0.215 0.000 0.319) 0.385 27.586 ( 2.059 0.000 -0.635) 2.155 27.609 ( -1.224 0.000 -3.805) 3.997 28.011 ( 1.061 0.000 3.997) 4.135 28.083 ( -4.446 0.000 -6.913) 8.219 28.127 ( -3.932 0.000 -1.467) 4.197 28.254 ( 2.561 0.000 -0.697) 2.654 28.406 ( -1.724 0.000 0.595) 1.824 28.551 ( -2.451 0.000 -2.199) 3.293 28.670 ( 1.713 0.000 2.508) 3.038 28.691 ( -3.091 0.000 0.430) 3.120 28.925 ( -8.871 0.000 8.022) 11.960 29.005 ( -9.153 0.000 -0.707) 9.181 29.118 ( -2.934 0.000 5.714) 6.423 29.313 ( -13.143 0.000 -2.078) 13.306 29.525 ( -2.947 0.000 -3.812) 4.818 29.618 ( 5.148 0.000 -2.847) 5.882 29.849 ( 3.490 0.000 2.824) 4.489 30.058 ( -5.237 0.000 3.452) 6.272 30.157 ( 1.579 0.000 3.464) 3.807 30.481 ( 5.246 0.000 -2.921) 6.004 30.661 ( -7.586 0.000 -5.226) 9.212 30.947 ( 14.407 0.000 -0.289) 14.409 31.004 ( -4.046 0.000 1.079) 4.188 31.477 ( 17.208 0.000 -11.144) 20.501 ======================= Grid point 47 (18/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 11.361 0.000 9.710) 14.945 1.283 ( 13.015 0.000 14.878) 19.767 1.852 ( -12.143 0.000 -29.293) 31.710 1.993 ( 7.820 0.000 -14.879) 16.809 2.057 ( -2.953 0.000 -12.657) 12.997 2.210 ( -3.755 0.000 -6.690) 7.672 2.283 ( -14.819 0.000 -2.027) 14.957 2.315 ( -6.269 0.000 -7.864) 10.057 2.493 ( 5.959 0.000 -5.956) 8.426 2.604 ( -0.533 0.000 4.951) 4.979 2.695 ( -3.464 0.000 -4.155) 5.409 2.773 ( 4.851 0.000 8.160) 9.493 2.838 ( 1.017 0.000 1.447) 1.769 2.874 ( -2.100 0.000 -4.923) 5.352 2.917 ( -2.955 0.000 4.859) 5.687 2.929 ( 3.269 0.000 7.365) 8.057 2.993 ( 3.883 0.000 5.480) 6.716 3.026 ( 6.851 0.000 12.781) 14.502 3.149 ( -2.955 0.000 9.207) 9.669 3.241 ( 2.931 0.000 -0.249) 2.942 3.343 ( 10.224 0.000 -2.885) 10.624 3.378 ( 1.424 0.000 2.020) 2.472 3.629 ( -2.799 0.000 -1.586) 3.217 3.632 ( -1.711 0.000 8.265) 8.440 3.721 ( 5.122 0.000 -3.858) 6.412 3.812 ( 0.879 0.000 3.491) 3.600 3.865 ( -3.461 0.000 -2.778) 4.438 4.009 ( 1.476 0.000 -17.704) 17.766 4.030 ( 5.092 0.000 0.030) 5.092 4.102 ( 3.897 0.000 -3.689) 5.366 4.106 ( 3.549 0.000 5.325) 6.399 4.247 ( 3.338 0.000 -1.865) 3.824 4.346 ( 1.789 0.000 4.768) 5.093 4.365 ( -0.724 0.000 5.262) 5.311 4.471 ( -3.224 0.000 -1.397) 3.513 4.542 ( 0.076 0.000 -1.078) 1.081 4.607 ( 1.940 0.000 1.527) 2.469 4.712 ( -4.118 0.000 -1.565) 4.406 4.772 ( -0.145 0.000 11.434) 11.435 4.797 ( -8.237 0.000 -0.961) 8.293 4.892 ( -1.846 0.000 0.171) 1.854 4.974 ( -0.201 0.000 -6.916) 6.919 5.069 ( -2.730 0.000 1.534) 3.132 5.081 ( 0.624 0.000 2.403) 2.482 5.115 ( 1.472 0.000 -0.041) 1.473 5.215 ( 7.743 0.000 -4.009) 8.719 5.270 ( -1.458 0.000 3.041) 3.373 5.354 ( -1.294 0.000 -0.392) 1.352 5.390 ( -1.132 0.000 -2.820) 3.039 5.589 ( 3.735 0.000 -1.467) 4.013 5.612 ( -4.323 0.000 1.115) 4.465 5.715 ( -2.732 0.000 0.361) 2.756 5.821 ( -7.638 0.000 -1.413) 7.768 5.869 ( -0.709 0.000 -3.932) 3.996 5.931 ( -2.883 0.000 2.651) 3.917 5.937 ( 0.392 0.000 -1.213) 1.275 6.125 ( 0.194 0.000 0.598) 0.628 6.164 ( 4.061 0.000 -5.305) 6.681 6.282 ( -0.633 0.000 0.767) 0.994 6.334 ( 1.334 0.000 2.712) 3.022 6.421 ( 1.112 0.000 0.492) 1.216 6.474 ( 1.312 0.000 2.427) 2.759 6.593 ( -5.101 0.000 -0.990) 5.196 6.681 ( 1.282 0.000 1.555) 2.015 6.797 ( -4.365 0.000 2.941) 5.263 6.844 ( -8.654 0.000 -2.632) 9.045 7.109 ( -1.874 0.000 -1.267) 2.262 7.143 ( -0.710 0.000 1.834) 1.967 7.279 ( 2.051 0.000 3.464) 4.026 7.304 ( 3.444 0.000 -1.520) 3.765 7.426 ( -0.827 0.000 -4.245) 4.325 7.625 ( 5.187 0.000 -7.690) 9.276 7.758 ( -3.749 0.000 8.536) 9.323 7.809 ( 1.372 0.000 1.938) 2.374 7.914 ( -0.155 0.000 0.419) 0.446 8.028 ( 1.174 0.000 1.846) 2.188 8.278 ( -7.071 0.000 -0.050) 7.071 8.367 ( -10.456 0.000 -1.114) 10.515 8.422 ( -10.623 0.000 -2.871) 11.004 8.462 ( 2.407 0.000 -4.698) 5.279 8.588 ( -1.215 0.000 7.491) 7.589 8.628 ( -0.025 0.000 -5.075) 5.075 8.832 ( -4.682 0.000 -6.538) 8.041 8.893 ( 0.658 0.000 1.580) 1.711 8.938 ( 2.738 0.000 -2.683) 3.833 9.027 ( -4.196 0.000 -0.727) 4.258 9.098 ( -2.095 0.000 2.846) 3.534 9.185 ( -3.359 0.000 3.606) 4.928 9.312 ( 5.960 0.000 -0.242) 5.964 9.350 ( -0.356 0.000 0.736) 0.817 9.594 ( -2.928 0.000 0.728) 3.017 9.672 ( 5.150 0.000 4.248) 6.676 9.724 ( -0.601 0.000 1.064) 1.222 9.775 ( 5.459 0.000 -3.151) 6.303 9.989 ( 3.440 0.000 -3.176) 4.682 10.097 ( -1.953 0.000 -0.269) 1.972 10.148 ( -1.565 0.000 -6.922) 7.096 10.257 ( 7.088 0.000 -1.282) 7.203 10.338 ( -2.693 0.000 1.849) 3.267 10.448 ( -0.158 0.000 1.489) 1.497 10.801 ( -4.253 0.000 4.511) 6.200 10.833 ( 2.556 0.000 -2.907) 3.871 11.006 ( 0.820 0.000 5.144) 5.209 11.015 ( -3.444 0.000 -7.718) 8.452 11.105 ( -3.493 0.000 -5.279) 6.330 11.144 ( 2.872 0.000 4.635) 5.453 11.194 ( -4.323 0.000 -3.444) 5.527 11.393 ( 2.802 0.000 5.386) 6.071 12.011 ( 0.539 0.000 0.313) 0.623 12.148 ( -1.402 0.000 -0.551) 1.506 12.153 ( -2.095 0.000 1.261) 2.445 12.229 ( -0.070 0.000 3.468) 3.469 12.414 ( 1.540 0.000 0.349) 1.579 12.434 ( 3.062 0.000 1.968) 3.639 12.543 ( 1.654 0.000 -2.705) 3.171 12.578 ( 1.849 0.000 5.050) 5.378 12.590 ( 4.813 0.000 0.338) 4.825 12.771 ( -0.379 0.000 -0.336) 0.507 12.853 ( 1.590 0.000 5.721) 5.938 12.871 ( 3.806 0.000 0.125) 3.808 12.945 ( -7.582 0.000 -0.606) 7.607 13.016 ( -3.254 0.000 2.609) 4.170 13.049 ( 3.945 0.000 -4.980) 6.354 13.184 ( -5.636 0.000 3.313) 6.537 13.261 ( 1.174 0.000 -0.385) 1.236 13.309 ( -4.025 0.000 3.119) 5.092 13.460 ( -4.646 0.000 -2.154) 5.121 13.500 ( 7.659 0.000 1.452) 7.796 13.692 ( 0.097 0.000 -0.123) 0.156 13.694 ( 1.263 0.000 -2.143) 2.487 13.836 ( 2.991 0.000 -3.746) 4.794 13.867 ( -1.026 0.000 0.148) 1.037 14.101 ( -9.161 0.000 -8.011) 12.170 14.221 ( -7.402 0.000 -2.889) 7.946 14.461 ( 1.281 0.000 -2.809) 3.087 14.542 ( 7.282 0.000 2.541) 7.713 14.555 ( 0.943 0.000 -1.520) 1.789 14.598 ( 4.736 0.000 0.376) 4.751 14.786 ( 5.338 0.000 0.150) 5.340 14.868 ( -6.335 0.000 2.382) 6.768 15.129 ( -1.647 0.000 -3.055) 3.470 15.239 ( 0.135 0.000 3.980) 3.983 15.407 ( 2.616 0.000 1.988) 3.286 15.419 ( 1.040 0.000 1.634) 1.937 15.554 ( -2.946 0.000 -1.105) 3.147 15.579 ( -1.125 0.000 2.609) 2.841 15.780 ( -2.888 0.000 7.153) 7.714 16.017 ( -4.727 0.000 1.158) 4.867 16.054 ( -0.492 0.000 -1.162) 1.262 16.305 ( 5.121 0.000 4.212) 6.631 16.358 ( -5.380 0.000 -2.962) 6.141 16.552 ( -0.378 0.000 0.158) 0.410 16.754 ( 5.750 0.000 3.457) 6.710 16.908 ( 8.637 0.000 -7.200) 11.244 16.946 ( 4.017 0.000 -1.482) 4.281 17.013 ( 6.415 0.000 1.239) 6.533 19.221 ( 2.186 0.000 -1.138) 2.465 19.343 ( 3.239 0.000 1.850) 3.730 19.634 ( -3.261 0.000 3.506) 4.788 19.721 ( -1.508 0.000 -3.863) 4.147 21.016 ( 2.402 0.000 3.100) 3.921 21.058 ( 1.929 0.000 -3.269) 3.796 21.250 ( -4.054 0.000 1.236) 4.239 21.338 ( -5.308 0.000 -1.135) 5.428 25.042 ( -0.258 0.000 2.337) 2.351 25.097 ( -0.376 0.000 0.299) 0.480 25.477 ( 0.942 0.000 -0.047) 0.943 25.674 ( 4.060 0.000 6.284) 7.482 25.935 ( -0.086 0.000 0.218) 0.235 25.995 ( 0.530 0.000 -2.124) 2.189 26.245 ( -1.003 0.000 0.154) 1.015 26.245 ( -0.773 0.000 1.705) 1.872 26.701 ( -0.040 0.000 -6.675) 6.675 26.981 ( 2.938 0.000 -8.171) 8.683 27.167 ( 1.352 0.000 -2.610) 2.939 27.211 ( 6.070 0.000 0.158) 6.072 27.282 ( 9.194 0.000 13.399) 16.250 27.364 ( -2.721 0.000 6.410) 6.963 27.474 ( 7.949 0.000 3.768) 8.797 27.544 ( -1.147 0.000 -3.511) 3.694 27.552 ( -1.429 0.000 1.536) 2.098 27.604 ( -0.489 0.000 -0.478) 0.684 27.919 ( -4.460 0.000 -8.270) 9.396 28.058 ( -3.253 0.000 -0.277) 3.265 28.078 ( 2.146 0.000 4.269) 4.778 28.275 ( 0.166 0.000 -2.457) 2.462 28.366 ( -1.248 0.000 -1.241) 1.760 28.499 ( -1.086 0.000 -1.216) 1.630 28.632 ( -4.101 0.000 1.124) 4.252 28.700 ( -0.987 0.000 1.714) 1.978 28.821 ( -9.509 0.000 -2.249) 9.772 28.885 ( -4.389 0.000 4.826) 6.523 29.003 ( -17.197 0.000 -2.353) 17.357 29.070 ( -7.272 0.000 2.372) 7.649 29.446 ( -1.473 0.000 -3.172) 3.497 29.687 ( 5.901 0.000 -1.595) 6.112 29.986 ( 6.895 0.000 0.914) 6.955 30.000 ( -3.013 0.000 0.251) 3.024 30.204 ( -3.167 0.000 8.477) 9.049 30.433 ( -4.007 0.000 -8.474) 9.373 30.512 ( -4.700 0.000 -0.404) 4.718 31.020 ( 1.945 0.000 5.185) 5.538 31.199 ( 14.478 0.000 -1.727) 14.580 31.587 ( 8.867 0.000 -9.628) 13.088 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 9.798 0.000 -4.419) 10.748 1.540 ( 2.986 0.000 -4.731) 5.594 1.608 ( 10.607 0.000 7.429) 12.950 1.919 ( -2.850 0.000 -2.796) 3.993 1.948 ( 2.481 0.000 -4.208) 4.885 2.047 ( -12.424 0.000 4.556) 13.233 2.127 ( 0.924 0.000 -3.866) 3.975 2.243 ( 13.513 0.000 -16.530) 21.351 2.501 ( -6.278 0.000 -2.014) 6.594 2.511 ( 0.055 0.000 -0.665) 0.667 2.665 ( -0.473 0.000 -1.816) 1.876 2.765 ( -2.875 0.000 -2.896) 4.080 2.792 ( 0.077 0.000 -3.229) 3.230 2.898 ( -1.214 0.000 3.857) 4.043 2.933 ( -1.780 0.000 6.741) 6.972 2.960 ( -4.923 0.000 7.379) 8.870 3.066 ( -3.440 0.000 6.229) 7.116 3.129 ( 1.652 0.000 7.755) 7.929 3.273 ( -2.052 0.000 4.698) 5.126 3.328 ( 5.000 0.000 1.641) 5.263 3.451 ( 4.414 0.000 -6.064) 7.500 3.510 ( 7.592 0.000 2.564) 8.013 3.559 ( -3.961 0.000 0.749) 4.031 3.709 ( 0.517 0.000 9.297) 9.312 3.818 ( 7.500 0.000 0.059) 7.501 3.836 ( -3.535 0.000 2.263) 4.197 3.871 ( 8.090 0.000 -2.600) 8.497 3.925 ( 6.606 0.000 -14.963) 16.356 4.052 ( -1.832 0.000 -4.452) 4.814 4.146 ( 4.832 0.000 -3.415) 5.917 4.155 ( -3.150 0.000 2.561) 4.060 4.185 ( 0.923 0.000 -4.307) 4.404 4.372 ( -1.921 0.000 -2.116) 2.858 4.372 ( -2.746 0.000 2.510) 3.721 4.469 ( -5.658 0.000 -3.757) 6.792 4.481 ( 2.200 0.000 0.242) 2.214 4.623 ( 2.185 0.000 -2.802) 3.554 4.643 ( -6.943 0.000 -1.662) 7.139 4.699 ( 0.751 0.000 2.235) 2.358 4.850 ( -3.763 0.000 7.543) 8.429 4.913 ( 2.227 0.000 2.122) 3.076 4.956 ( 3.030 0.000 -3.766) 4.834 5.018 ( -1.993 0.000 -0.116) 1.997 5.074 ( -2.695 0.000 -1.096) 2.910 5.134 ( 0.056 0.000 1.342) 1.343 5.224 ( -4.488 0.000 0.001) 4.488 5.341 ( -1.417 0.000 2.858) 3.190 5.343 ( 8.186 0.000 -2.910) 8.688 5.382 ( 0.317 0.000 1.760) 1.789 5.546 ( -4.105 0.000 2.430) 4.770 5.595 ( 0.259 0.000 -5.180) 5.186 5.686 ( -6.536 0.000 2.254) 6.914 5.693 ( -0.663 0.000 2.742) 2.821 5.831 ( 0.088 0.000 -2.449) 2.450 5.939 ( -0.583 0.000 1.184) 1.320 5.951 ( 0.591 0.000 4.752) 4.789 6.122 ( -0.092 0.000 -7.430) 7.431 6.146 ( 2.621 0.000 -1.621) 3.082 6.312 ( 1.699 0.000 0.278) 1.721 6.389 ( 1.536 0.000 3.765) 4.067 6.425 ( -1.896 0.000 0.840) 2.074 6.500 ( -4.867 0.000 1.614) 5.127 6.517 ( 1.021 0.000 1.774) 2.047 6.694 ( -5.006 0.000 -4.213) 6.543 6.722 ( 1.019 0.000 2.935) 3.107 6.753 ( -2.510 0.000 0.328) 2.531 7.084 ( -0.445 0.000 0.941) 1.041 7.115 ( -2.391 0.000 1.136) 2.647 7.308 ( -1.680 0.000 3.000) 3.438 7.357 ( 0.560 0.000 -6.302) 6.327 7.407 ( 5.093 0.000 2.208) 5.551 7.574 ( 0.598 0.000 -8.129) 8.151 7.830 ( 1.018 0.000 -2.527) 2.725 7.833 ( 2.238 0.000 3.146) 3.861 7.903 ( -1.787 0.000 1.498) 2.332 8.036 ( -3.667 0.000 1.969) 4.162 8.167 ( -5.842 0.000 -0.469) 5.861 8.235 ( -4.966 0.000 2.556) 5.585 8.279 ( 1.362 0.000 -5.899) 6.054 8.444 ( -0.304 0.000 -2.554) 2.572 8.566 ( -0.819 0.000 -4.205) 4.284 8.636 ( -5.303 0.000 -0.177) 5.306 8.699 ( 0.426 0.000 3.783) 3.807 8.881 ( -3.100 0.000 3.436) 4.628 8.965 ( 3.299 0.000 -3.774) 5.013 8.985 ( -1.063 0.000 0.577) 1.209 9.132 ( -0.239 0.000 3.821) 3.828 9.176 ( -3.151 0.000 6.359) 7.096 9.351 ( -0.881 0.000 1.715) 1.928 9.428 ( 6.780 0.000 -0.172) 6.782 9.512 ( -5.323 0.000 -1.125) 5.440 9.703 ( -1.479 0.000 -0.908) 1.735 9.764 ( 1.680 0.000 1.920) 2.552 9.856 ( 5.303 0.000 0.665) 5.345 9.995 ( 1.844 0.000 -5.150) 5.470 10.062 ( -1.314 0.000 -3.361) 3.609 10.079 ( 0.378 0.000 0.754) 0.844 10.333 ( -0.924 0.000 3.114) 3.248 10.374 ( 6.941 0.000 -2.710) 7.451 10.457 ( -1.302 0.000 3.747) 3.967 10.751 ( -3.854 0.000 0.469) 3.882 10.847 ( 2.776 0.000 -3.974) 4.847 10.918 ( -1.180 0.000 -2.739) 2.982 11.068 ( 2.041 0.000 -0.642) 2.139 11.072 ( -1.534 0.000 7.635) 7.788 11.129 ( -0.854 0.000 0.167) 0.870 11.237 ( 3.614 0.000 2.061) 4.161 11.437 ( -2.630 0.000 2.405) 3.564 12.009 ( -0.338 0.000 -0.807) 0.875 12.090 ( -1.808 0.000 -1.761) 2.524 12.160 ( 1.266 0.000 0.985) 1.604 12.290 ( 1.724 0.000 0.455) 1.783 12.419 ( 0.073 0.000 -2.596) 2.597 12.497 ( 2.779 0.000 -1.050) 2.971 12.516 ( 1.839 0.000 -4.902) 5.236 12.621 ( 2.013 0.000 -4.824) 5.227 12.639 ( -0.909 0.000 0.674) 1.132 12.755 ( -3.399 0.000 -2.533) 4.239 12.801 ( -5.962 0.000 1.512) 6.151 12.913 ( 1.299 0.000 -0.831) 1.542 12.960 ( 1.370 0.000 8.618) 8.726 13.018 ( 1.538 0.000 0.123) 1.543 13.051 ( 0.011 0.000 0.395) 0.395 13.112 ( -2.871 0.000 -1.358) 3.176 13.229 ( -0.312 0.000 -0.962) 1.012 13.246 ( -6.237 0.000 2.445) 6.699 13.508 ( 4.715 0.000 4.705) 6.661 13.655 ( -1.645 0.000 -4.298) 4.602 13.672 ( 7.175 0.000 5.267) 8.901 13.699 ( -0.117 0.000 1.436) 1.440 13.803 ( -0.016 0.000 -4.767) 4.767 13.894 ( 3.144 0.000 0.857) 3.259 13.965 ( -0.443 0.000 -1.924) 1.974 14.066 ( -7.498 0.000 0.712) 7.532 14.371 ( -2.873 0.000 -10.452) 10.840 14.506 ( -3.228 0.000 -1.039) 3.391 14.647 ( 4.261 0.000 -6.901) 8.110 14.718 ( 6.905 0.000 6.028) 9.166 14.764 ( -7.405 0.000 0.766) 7.445 14.907 ( 4.989 0.000 3.037) 5.841 15.116 ( 0.536 0.000 1.395) 1.495 15.275 ( 1.046 0.000 1.448) 1.787 15.455 ( -0.385 0.000 1.977) 2.014 15.461 ( 0.844 0.000 1.776) 1.966 15.502 ( -1.440 0.000 -0.259) 1.463 15.579 ( -3.192 0.000 3.961) 5.087 15.806 ( -0.885 0.000 4.621) 4.705 15.947 ( -3.133 0.000 -1.477) 3.463 16.073 ( 0.795 0.000 3.691) 3.776 16.247 ( -2.930 0.000 -2.916) 4.134 16.407 ( 3.145 0.000 0.215) 3.152 16.508 ( -2.686 0.000 -2.416) 3.613 16.869 ( 2.400 0.000 3.550) 4.285 16.964 ( 6.935 0.000 -8.373) 10.872 16.985 ( 1.490 0.000 1.713) 2.271 17.121 ( 4.176 0.000 1.557) 4.457 19.252 ( 1.699 0.000 0.628) 1.811 19.406 ( 0.490 0.000 1.788) 1.854 19.602 ( -3.841 0.000 2.946) 4.841 19.677 ( 0.428 0.000 -1.610) 1.666 21.057 ( 2.364 0.000 -3.542) 4.258 21.069 ( -0.317 0.000 2.614) 2.633 21.209 ( -2.489 0.000 2.449) 3.492 21.260 ( -2.123 0.000 -0.444) 2.169 25.051 ( -0.725 0.000 1.085) 1.305 25.094 ( 0.088 0.000 -0.897) 0.902 25.486 ( 0.872 0.000 -1.364) 1.618 25.736 ( -0.606 0.000 -0.749) 0.963 25.945 ( 0.153 0.000 1.676) 1.683 26.002 ( 0.872 0.000 1.068) 1.378 26.228 ( -0.473 0.000 -0.913) 1.028 26.238 ( -1.405 0.000 0.614) 1.534 26.669 ( 2.697 0.000 -3.635) 4.527 26.940 ( 2.994 0.000 -9.419) 9.883 27.157 ( 1.137 0.000 -2.177) 2.456 27.302 ( 4.341 0.000 -1.324) 4.538 27.403 ( -1.110 0.000 6.655) 6.746 27.492 ( -1.698 0.000 2.172) 2.757 27.514 ( -4.567 0.000 1.743) 4.889 27.547 ( 1.631 0.000 -0.275) 1.654 27.605 ( 4.258 0.000 6.697) 7.936 27.650 ( 4.056 0.000 3.323) 5.244 27.806 ( 0.925 0.000 -3.298) 3.426 28.021 ( -1.341 0.000 1.640) 2.119 28.133 ( 1.230 0.000 -1.386) 1.853 28.217 ( -1.885 0.000 -2.123) 2.839 28.365 ( 2.222 0.000 -1.268) 2.558 28.486 ( 0.645 0.000 -2.300) 2.389 28.585 ( -2.045 0.000 1.475) 2.521 28.660 ( -4.191 0.000 1.198) 4.358 28.702 ( -2.240 0.000 1.106) 2.498 28.740 ( -11.798 0.000 1.173) 11.857 28.844 ( -4.248 0.000 0.547) 4.283 28.978 ( -5.632 0.000 5.335) 7.757 29.401 ( -0.027 0.000 -4.150) 4.150 29.784 ( 5.827 0.000 -0.279) 5.834 29.961 ( -1.239 0.000 -0.917) 1.542 30.015 ( 0.753 0.000 -9.063) 9.095 30.215 ( -5.479 0.000 8.409) 10.037 30.299 ( -1.535 0.000 -5.512) 5.721 30.505 ( -1.183 0.000 10.062) 10.131 31.104 ( 0.599 0.000 4.227) 4.269 31.376 ( 9.587 0.000 -5.641) 11.123 31.614 ( 5.344 0.000 -8.206) 9.792 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 0.051 0.000 4.999) 4.999 1.682 ( 17.921 0.000 12.339) 21.758 1.792 ( 2.405 0.000 5.079) 5.619 1.943 ( -1.363 0.000 8.995) 9.098 1.951 ( 2.839 0.000 9.873) 10.273 2.113 ( 12.432 0.000 4.912) 13.367 2.166 ( 5.551 0.000 -2.737) 6.189 2.327 ( 8.468 0.000 -11.300) 14.121 2.454 ( 1.400 0.000 2.733) 3.071 2.529 ( 6.227 0.000 -0.476) 6.245 2.658 ( 0.512 0.000 -2.012) 2.076 2.698 ( -2.040 0.000 -1.412) 2.481 2.738 ( -1.793 0.000 -5.009) 5.320 2.876 ( -2.127 0.000 1.691) 2.717 2.961 ( -3.376 0.000 4.215) 5.400 2.994 ( -1.126 0.000 10.368) 10.429 3.044 ( -8.071 0.000 8.528) 11.741 3.178 ( -4.227 0.000 5.123) 6.642 3.244 ( -5.515 0.000 1.652) 5.757 3.361 ( -3.314 0.000 -5.374) 6.314 3.420 ( 2.980 0.000 -1.567) 3.366 3.571 ( 2.124 0.000 4.804) 5.252 3.588 ( -6.421 0.000 -3.399) 7.265 3.663 ( -9.150 0.000 4.018) 9.993 3.741 ( -3.401 0.000 -3.202) 4.672 3.834 ( -3.798 0.000 -7.233) 8.169 3.964 ( 3.244 0.000 -2.934) 4.374 3.975 ( -0.428 0.000 -3.882) 3.906 3.990 ( 7.822 0.000 -0.158) 7.824 4.095 ( 0.961 0.000 -4.484) 4.586 4.166 ( 0.426 0.000 -1.291) 1.360 4.219 ( 8.225 0.000 -9.232) 12.365 4.360 ( -4.128 0.000 2.939) 5.067 4.361 ( 2.737 0.000 -1.135) 2.963 4.393 ( 5.910 0.000 -2.787) 6.535 4.430 ( -2.836 0.000 -6.662) 7.240 4.548 ( -2.536 0.000 -0.837) 2.671 4.615 ( 1.250 0.000 -4.785) 4.945 4.705 ( -2.613 0.000 -0.081) 2.615 4.790 ( -8.715 0.000 2.097) 8.963 4.896 ( -1.212 0.000 -3.333) 3.547 4.966 ( 3.442 0.000 -3.268) 4.747 5.030 ( -0.527 0.000 2.895) 2.943 5.076 ( 2.570 0.000 1.869) 3.178 5.099 ( -3.045 0.000 -1.956) 3.619 5.231 ( 3.073 0.000 5.901) 6.653 5.322 ( -0.070 0.000 -5.117) 5.117 5.379 ( 2.181 0.000 3.605) 4.214 5.462 ( -0.321 0.000 0.370) 0.490 5.522 ( -2.513 0.000 4.158) 4.859 5.567 ( 2.394 0.000 -1.586) 2.871 5.673 ( 0.394 0.000 4.077) 4.096 5.695 ( -0.954 0.000 0.481) 1.068 5.791 ( -1.543 0.000 -3.360) 3.698 5.962 ( 0.975 0.000 4.482) 4.587 6.026 ( -0.275 0.000 2.772) 2.785 6.073 ( 4.023 0.000 -1.986) 4.487 6.166 ( 2.425 0.000 -3.340) 4.127 6.326 ( 0.843 0.000 -1.971) 2.144 6.359 ( -6.329 0.000 0.126) 6.331 6.463 ( 0.631 0.000 5.361) 5.398 6.472 ( -0.414 0.000 -0.338) 0.534 6.537 ( -1.189 0.000 4.095) 4.264 6.580 ( -1.582 0.000 -6.276) 6.472 6.732 ( -0.072 0.000 1.050) 1.053 6.767 ( 0.642 0.000 2.763) 2.836 7.100 ( -1.034 0.000 0.459) 1.131 7.114 ( 1.564 0.000 2.751) 3.165 7.307 ( -1.659 0.000 3.056) 3.477 7.333 ( 3.393 0.000 -3.211) 4.672 7.489 ( 0.308 0.000 2.185) 2.207 7.509 ( 0.944 0.000 -7.093) 7.156 7.798 ( -3.776 0.000 -3.812) 5.366 7.800 ( 1.747 0.000 -6.333) 6.570 7.958 ( 3.906 0.000 2.714) 4.757 7.961 ( -4.446 0.000 -0.130) 4.448 8.085 ( -1.975 0.000 -2.312) 3.041 8.225 ( -1.445 0.000 5.016) 5.220 8.327 ( 8.833 0.000 -6.794) 11.144 8.425 ( 0.618 0.000 0.483) 0.784 8.508 ( -4.364 0.000 -2.639) 5.100 8.550 ( 2.044 0.000 -0.196) 2.053 8.822 ( 2.800 0.000 7.835) 8.320 8.889 ( -0.224 0.000 2.951) 2.959 8.975 ( -1.359 0.000 1.829) 2.279 8.982 ( 2.630 0.000 -1.499) 3.027 9.121 ( -3.930 0.000 0.938) 4.041 9.202 ( -2.023 0.000 6.992) 7.278 9.359 ( -0.981 0.000 3.184) 3.332 9.406 ( -5.716 0.000 0.839) 5.778 9.523 ( 5.454 0.000 -3.760) 6.625 9.666 ( -1.520 0.000 -1.389) 2.059 9.775 ( -1.394 0.000 0.647) 1.537 9.949 ( 5.362 0.000 -3.534) 6.422 9.974 ( 0.284 0.000 0.596) 0.661 10.065 ( 4.095 0.000 -0.153) 4.098 10.105 ( -0.034 0.000 2.149) 2.149 10.371 ( 0.177 0.000 5.503) 5.506 10.383 ( -1.536 0.000 -2.933) 3.311 10.493 ( -0.187 0.000 3.098) 3.104 10.706 ( -1.304 0.000 -0.793) 1.526 10.846 ( 2.193 0.000 -4.596) 5.092 10.939 ( 3.901 0.000 2.677) 4.731 11.082 ( -5.637 0.000 6.339) 8.483 11.110 ( 2.398 0.000 2.440) 3.421 11.194 ( 3.859 0.000 5.532) 6.746 11.278 ( -1.271 0.000 -0.870) 1.540 11.362 ( -4.716 0.000 -2.040) 5.139 11.997 ( 0.592 0.000 -1.209) 1.346 12.061 ( 0.893 0.000 -2.380) 2.542 12.183 ( -1.018 0.000 1.511) 1.822 12.250 ( -2.942 0.000 -4.440) 5.326 12.413 ( 1.916 0.000 -1.774) 2.611 12.490 ( 0.619 0.000 -6.550) 6.579 12.509 ( 3.280 0.000 -5.472) 6.380 12.571 ( -3.203 0.000 -3.898) 5.045 12.579 ( -7.344 0.000 -7.797) 10.711 12.593 ( 1.337 0.000 -5.180) 5.350 12.794 ( -1.859 0.000 5.649) 5.947 12.904 ( -2.409 0.000 -0.155) 2.414 13.025 ( -2.282 0.000 5.360) 5.826 13.031 ( -1.470 0.000 -0.771) 1.660 13.089 ( 6.772 0.000 -1.192) 6.876 13.137 ( 4.251 0.000 3.385) 5.434 13.164 ( -5.832 0.000 3.488) 6.796 13.256 ( 3.361 0.000 -0.430) 3.389 13.564 ( -2.787 0.000 -3.236) 4.270 13.624 ( 0.137 0.000 8.204) 8.205 13.683 ( -3.341 0.000 -0.277) 3.353 13.754 ( -0.414 0.000 -0.222) 0.470 13.906 ( 8.013 0.000 5.482) 9.709 13.949 ( -2.015 0.000 2.282) 3.044 13.981 ( 3.130 0.000 1.937) 3.681 14.048 ( 3.786 0.000 6.038) 7.127 14.207 ( 0.827 0.000 -14.725) 14.748 14.442 ( -1.326 0.000 -3.808) 4.032 14.618 ( 1.896 0.000 -8.759) 8.961 14.636 ( -5.573 0.000 -3.384) 6.520 14.870 ( 2.730 0.000 6.077) 6.662 14.992 ( 1.520 0.000 2.598) 3.010 15.168 ( 1.633 0.000 5.746) 5.974 15.292 ( -1.137 0.000 0.821) 1.403 15.441 ( -1.211 0.000 -1.301) 1.777 15.446 ( -1.717 0.000 0.832) 1.908 15.518 ( -5.615 0.000 0.547) 5.641 15.532 ( 0.834 0.000 3.349) 3.451 15.849 ( 1.042 0.000 4.136) 4.265 15.882 ( -0.551 0.000 -4.894) 4.925 16.139 ( 0.142 0.000 7.251) 7.253 16.225 ( 1.442 0.000 0.436) 1.507 16.371 ( -3.950 0.000 -3.392) 5.207 16.481 ( 1.876 0.000 -2.277) 2.950 16.872 ( -3.776 0.000 0.039) 3.776 16.980 ( 4.168 0.000 -7.377) 8.473 17.054 ( 1.785 0.000 4.670) 5.000 17.174 ( 0.065 0.000 1.063) 1.065 19.289 ( 1.110 0.000 2.078) 2.356 19.384 ( -2.262 0.000 -1.363) 2.641 19.575 ( -2.190 0.000 2.643) 3.433 19.706 ( 2.334 0.000 1.297) 2.671 21.051 ( -2.767 0.000 0.187) 2.774 21.083 ( 3.963 0.000 -1.969) 4.425 21.209 ( -1.589 0.000 3.721) 4.046 21.258 ( 0.630 0.000 1.306) 1.449 25.041 ( -0.963 0.000 0.008) 0.963 25.075 ( -0.646 0.000 -1.993) 2.095 25.484 ( 0.659 0.000 -1.430) 1.575 25.655 ( -3.295 0.000 -6.889) 7.637 25.973 ( 0.085 0.000 3.272) 3.273 26.043 ( 1.061 0.000 3.640) 3.791 26.208 ( -0.208 0.000 -2.006) 2.017 26.215 ( -0.991 0.000 -0.692) 1.209 26.705 ( 3.184 0.000 -0.603) 3.241 26.902 ( 3.791 0.000 -9.406) 10.141 27.176 ( 2.639 0.000 -0.458) 2.678 27.286 ( -3.057 0.000 -5.989) 6.724 27.425 ( -4.219 0.000 3.900) 5.745 27.462 ( -1.916 0.000 2.354) 3.035 27.485 ( -2.312 0.000 1.527) 2.771 27.529 ( 1.486 0.000 -0.387) 1.535 27.612 ( -3.857 0.000 -2.576) 4.639 27.682 ( -3.242 0.000 4.228) 5.328 27.929 ( 6.549 0.000 5.652) 8.651 28.048 ( 0.531 0.000 4.789) 4.819 28.052 ( -3.315 0.000 -7.796) 8.472 28.262 ( 3.731 0.000 3.241) 4.942 28.400 ( 0.527 0.000 0.102) 0.536 28.461 ( 0.458 0.000 -2.483) 2.525 28.593 ( -1.050 0.000 2.353) 2.577 28.621 ( 0.771 0.000 -1.171) 1.402 28.654 ( 0.033 0.000 3.385) 3.385 28.756 ( 2.237 0.000 8.366) 8.660 28.764 ( -2.172 0.000 -3.418) 4.050 29.004 ( -0.470 0.000 9.091) 9.103 29.355 ( 1.269 0.000 -6.588) 6.709 29.843 ( 2.471 0.000 -3.802) 4.534 29.894 ( -2.018 0.000 -9.870) 10.074 29.937 ( -0.371 0.000 -1.240) 1.295 30.188 ( -5.763 0.000 5.933) 8.271 30.311 ( 6.477 0.000 0.865) 6.534 30.625 ( -0.562 0.000 14.181) 14.192 31.098 ( -4.680 0.000 1.472) 4.906 31.393 ( 1.154 0.000 -9.177) 9.250 31.630 ( 5.863 0.000 -7.598) 9.597 ======================= Grid point 50 (21/63) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -21.747 0.000 3.938) 22.101 1.712 ( -19.755 0.000 6.683) 20.855 2.061 ( 2.750 0.000 -5.323) 5.992 2.139 ( 12.645 0.000 4.986) 13.593 2.152 ( 11.633 0.000 8.019) 14.129 2.290 ( 6.784 0.000 7.930) 10.436 2.327 ( 3.299 0.000 -5.043) 6.026 2.346 ( 4.758 0.000 -6.619) 8.151 2.559 ( 3.952 0.000 -3.357) 5.186 2.609 ( -4.763 0.000 -9.965) 11.045 2.625 ( 5.212 0.000 11.540) 12.662 2.700 ( 11.163 0.000 -3.344) 11.653 2.732 ( 2.716 0.000 1.521) 3.113 2.772 ( -16.389 0.000 -5.790) 17.381 2.874 ( -8.395 0.000 -1.778) 8.581 2.990 ( -5.950 0.000 4.727) 7.599 3.050 ( -8.175 0.000 8.576) 11.848 3.087 ( -8.652 0.000 7.785) 11.639 3.131 ( 0.039 0.000 1.397) 1.397 3.239 ( -4.316 0.000 -3.098) 5.313 3.324 ( -8.395 0.000 -3.655) 9.156 3.434 ( -0.419 0.000 0.886) 0.980 3.493 ( -12.871 0.000 -1.009) 12.910 3.636 ( -4.212 0.000 1.762) 4.566 3.780 ( 6.046 0.000 3.182) 6.832 3.804 ( 5.337 0.000 3.975) 6.655 3.935 ( -0.181 0.000 -4.459) 4.463 3.938 ( -3.493 0.000 1.716) 3.892 4.044 ( 1.029 0.000 2.651) 2.844 4.106 ( -1.521 0.000 -10.500) 10.610 4.123 ( 5.853 0.000 -6.339) 8.628 4.196 ( -1.187 0.000 -4.769) 4.914 4.275 ( 0.991 0.000 -11.962) 12.003 4.382 ( 1.711 0.000 1.540) 2.302 4.492 ( 6.519 0.000 3.860) 7.576 4.522 ( 9.047 0.000 -0.787) 9.081 4.545 ( 2.053 0.000 -1.006) 2.286 4.568 ( -0.129 0.000 -4.915) 4.917 4.642 ( -1.540 0.000 -1.842) 2.401 4.645 ( -5.981 0.000 -0.091) 5.982 4.902 ( 2.518 0.000 2.456) 3.517 4.998 ( -4.198 0.000 0.640) 4.246 5.026 ( 4.831 0.000 -1.328) 5.010 5.066 ( 0.668 0.000 -1.532) 1.672 5.178 ( 5.890 0.000 2.645) 6.456 5.284 ( 0.957 0.000 -3.681) 3.803 5.361 ( 0.761 0.000 11.161) 11.187 5.414 ( -2.713 0.000 0.616) 2.782 5.462 ( 1.408 0.000 4.567) 4.779 5.559 ( 3.815 0.000 1.778) 4.209 5.581 ( 0.352 0.000 -0.202) 0.406 5.668 ( 0.267 0.000 -5.857) 5.863 5.754 ( 5.250 0.000 1.902) 5.584 5.764 ( 1.922 0.000 -1.741) 2.594 6.024 ( 1.776 0.000 -2.173) 2.807 6.053 ( 0.637 0.000 5.922) 5.956 6.162 ( 0.394 0.000 -1.567) 1.615 6.182 ( 3.273 0.000 6.354) 7.147 6.222 ( -5.622 0.000 -3.252) 6.495 6.297 ( -0.767 0.000 -3.474) 3.558 6.421 ( -2.855 0.000 -0.705) 2.941 6.488 ( -0.516 0.000 0.652) 0.831 6.539 ( 0.475 0.000 -1.793) 1.854 6.607 ( 2.413 0.000 4.151) 4.802 6.769 ( 1.074 0.000 3.224) 3.398 6.807 ( 2.310 0.000 0.679) 2.408 7.074 ( -0.586 0.000 -2.322) 2.395 7.174 ( 1.623 0.000 1.897) 2.496 7.310 ( -1.836 0.000 3.443) 3.902 7.369 ( -0.141 0.000 0.084) 0.164 7.469 ( 2.137 0.000 -5.826) 6.206 7.481 ( 0.886 0.000 -0.722) 1.143 7.680 ( -2.798 0.000 -7.070) 7.604 7.783 ( -0.411 0.000 -0.852) 0.946 7.909 ( 0.297 0.000 -2.734) 2.750 7.986 ( -3.114 0.000 -1.678) 3.538 8.108 ( 7.014 0.000 -0.137) 7.015 8.271 ( 1.586 0.000 4.239) 4.526 8.387 ( 5.324 0.000 -3.894) 6.597 8.452 ( -0.564 0.000 -0.236) 0.611 8.499 ( 6.060 0.000 -0.329) 6.069 8.616 ( 4.978 0.000 -0.504) 5.004 8.899 ( 0.774 0.000 2.745) 2.852 8.911 ( 1.686 0.000 -1.465) 2.233 8.982 ( -1.143 0.000 4.081) 4.238 9.045 ( 3.770 0.000 0.256) 3.779 9.056 ( -2.674 0.000 0.432) 2.709 9.214 ( -6.223 0.000 6.705) 9.148 9.347 ( -2.342 0.000 2.926) 3.748 9.383 ( -0.497 0.000 4.338) 4.366 9.552 ( 3.755 0.000 -5.190) 6.406 9.620 ( -1.958 0.000 -1.876) 2.711 9.756 ( -1.295 0.000 2.314) 2.652 9.948 ( 1.864 0.000 -4.079) 4.484 10.037 ( 3.431 0.000 0.176) 3.436 10.098 ( -4.746 0.000 3.762) 6.056 10.175 ( 7.318 0.000 -0.339) 7.326 10.297 ( -3.979 0.000 -3.543) 5.327 10.427 ( -1.027 0.000 6.087) 6.173 10.495 ( -1.552 0.000 0.737) 1.718 10.671 ( -2.082 0.000 -0.727) 2.205 10.838 ( 1.844 0.000 -3.499) 3.955 11.017 ( -6.159 0.000 2.156) 6.525 11.085 ( 6.551 0.000 6.949) 9.550 11.164 ( -7.766 0.000 -1.611) 7.931 11.219 ( 4.403 0.000 6.416) 7.782 11.265 ( -2.959 0.000 -6.300) 6.960 11.329 ( 4.209 0.000 6.730) 7.938 12.013 ( 2.706 0.000 -1.185) 2.954 12.077 ( 3.717 0.000 -2.940) 4.739 12.137 ( -6.759 0.000 1.862) 7.011 12.156 ( -3.316 0.000 -2.498) 4.152 12.370 ( -2.566 0.000 -10.627) 10.933 12.406 ( -0.829 0.000 -0.847) 1.185 12.421 ( -2.781 0.000 -5.764) 6.400 12.473 ( -2.628 0.000 -3.775) 4.600 12.564 ( 5.169 0.000 -0.362) 5.182 12.579 ( 2.326 0.000 -3.606) 4.292 12.839 ( 0.819 0.000 4.666) 4.737 12.847 ( -1.941 0.000 -1.793) 2.643 12.999 ( 0.230 0.000 -1.508) 1.525 13.021 ( -2.816 0.000 3.183) 4.249 13.117 ( -2.902 0.000 4.084) 5.010 13.200 ( 5.528 0.000 -0.290) 5.536 13.267 ( 1.818 0.000 1.961) 2.674 13.326 ( 6.709 0.000 3.381) 7.512 13.493 ( -3.135 0.000 -1.260) 3.379 13.571 ( -9.129 0.000 1.029) 9.187 13.692 ( 0.107 0.000 5.314) 5.315 13.734 ( -1.882 0.000 -0.736) 2.020 13.847 ( -7.528 0.000 -2.530) 7.942 13.931 ( -3.437 0.000 -1.231) 3.650 14.165 ( 7.347 0.000 -11.284) 13.465 14.200 ( 9.498 0.000 7.117) 11.869 14.242 ( 9.633 0.000 6.084) 11.393 14.393 ( 1.732 0.000 -5.650) 5.909 14.528 ( -1.821 0.000 -3.753) 4.172 14.572 ( 3.054 0.000 -5.003) 5.862 14.916 ( -2.611 0.000 2.944) 3.935 14.996 ( -2.452 0.000 -1.732) 3.003 15.241 ( -4.908 0.000 2.201) 5.379 15.270 ( 0.659 0.000 6.661) 6.693 15.424 ( 0.426 0.000 -1.838) 1.887 15.449 ( 3.012 0.000 3.310) 4.476 15.466 ( -2.006 0.000 2.021) 2.848 15.571 ( -0.262 0.000 3.236) 3.246 15.839 ( 2.919 0.000 -7.340) 7.899 15.933 ( 2.809 0.000 6.516) 7.095 16.218 ( -0.418 0.000 8.554) 8.564 16.274 ( -4.502 0.000 -0.564) 4.537 16.274 ( 2.204 0.000 2.256) 3.154 16.478 ( 1.151 0.000 -4.135) 4.293 16.763 ( -6.379 0.000 -3.265) 7.166 16.965 ( 0.803 0.000 -3.783) 3.867 17.100 ( -1.753 0.000 3.258) 3.700 17.140 ( -4.247 0.000 -0.373) 4.263 19.333 ( -1.604 0.000 -1.338) 2.089 19.340 ( 1.712 0.000 3.936) 4.292 19.584 ( -0.291 0.000 3.087) 3.101 19.762 ( 2.742 0.000 0.693) 2.829 20.996 ( -2.822 0.000 -1.297) 3.106 21.146 ( 4.233 0.000 -0.223) 4.239 21.214 ( -2.157 0.000 3.046) 3.732 21.280 ( 0.593 0.000 0.170) 0.617 25.023 ( -1.034 0.000 0.127) 1.041 25.036 ( -1.384 0.000 -1.867) 2.324 25.479 ( -0.278 0.000 -0.422) 0.505 25.515 ( -4.048 0.000 -7.280) 8.330 26.011 ( -0.171 0.000 4.537) 4.541 26.106 ( 1.209 0.000 4.656) 4.811 26.181 ( 0.065 0.000 -2.940) 2.941 26.190 ( -0.515 0.000 -1.880) 1.950 26.743 ( 1.714 0.000 -1.307) 2.156 26.883 ( 5.005 0.000 -9.791) 10.997 27.104 ( -8.055 0.000 -6.862) 10.582 27.229 ( 1.919 0.000 2.043) 2.803 27.375 ( -4.044 0.000 2.875) 4.962 27.445 ( -5.939 0.000 4.612) 7.520 27.455 ( -2.291 0.000 1.085) 2.535 27.546 ( -1.913 0.000 1.101) 2.207 27.572 ( 2.668 0.000 -0.151) 2.672 27.665 ( -2.356 0.000 4.187) 4.805 27.934 ( -0.846 0.000 -7.431) 7.479 28.066 ( 3.880 0.000 3.214) 5.038 28.133 ( 1.925 0.000 7.494) 7.737 28.304 ( 0.694 0.000 -3.757) 3.821 28.384 ( -1.369 0.000 3.623) 3.873 28.457 ( -1.744 0.000 -0.867) 1.948 28.567 ( -1.300 0.000 0.489) 1.389 28.587 ( -1.313 0.000 -3.839) 4.057 28.729 ( 3.193 0.000 -5.044) 5.970 28.864 ( 13.878 0.000 4.518) 14.595 28.895 ( 3.443 0.000 9.337) 9.952 29.098 ( -0.414 0.000 7.670) 7.681 29.341 ( 5.500 0.000 -5.565) 7.824 29.741 ( 0.391 0.000 -15.133) 15.138 29.843 ( -1.878 0.000 2.549) 3.166 29.925 ( 0.205 0.000 -0.693) 0.722 30.141 ( -4.332 0.000 2.335) 4.921 30.510 ( 11.643 0.000 4.585) 12.513 30.737 ( -3.204 0.000 12.446) 12.852 30.995 ( -7.284 0.000 1.424) 7.422 31.257 ( -5.234 0.000 -9.593) 10.928 31.648 ( 5.638 0.000 -9.238) 10.822 ======================= Grid point 51 (22/63) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -27.193 0.000 8.227) 28.411 1.261 ( -33.177 0.000 -6.797) 33.866 1.864 ( -33.936 0.000 -5.096) 34.316 2.043 ( -11.642 0.000 -12.625) 17.174 2.068 ( -6.411 0.000 -9.253) 11.257 2.294 ( 6.242 0.000 -4.010) 7.419 2.358 ( -0.901 0.000 -8.051) 8.101 2.378 ( 9.779 0.000 -6.118) 11.535 2.455 ( -5.356 0.000 1.542) 5.574 2.581 ( -5.639 0.000 1.715) 5.894 2.625 ( 2.352 0.000 -2.697) 3.578 2.718 ( 1.570 0.000 -2.608) 3.044 2.791 ( 1.631 0.000 3.374) 3.748 2.835 ( 7.223 0.000 -4.445) 8.482 2.836 ( 1.527 0.000 3.184) 3.531 2.951 ( -5.014 0.000 6.526) 8.230 2.998 ( -5.112 0.000 -0.331) 5.122 3.061 ( 2.191 0.000 2.857) 3.601 3.117 ( 0.106 0.000 -2.796) 2.798 3.163 ( -7.046 0.000 -4.143) 8.174 3.237 ( -1.651 0.000 7.981) 8.150 3.356 ( -4.060 0.000 6.854) 7.966 3.474 ( -0.845 0.000 5.670) 5.733 3.605 ( 2.441 0.000 -1.701) 2.976 3.808 ( -4.927 0.000 -5.849) 7.648 3.866 ( 0.363 0.000 2.029) 2.061 3.878 ( 0.427 0.000 -5.881) 5.897 3.928 ( -0.913 0.000 3.294) 3.418 4.081 ( 1.589 0.000 7.774) 7.935 4.102 ( -3.734 0.000 -2.468) 4.476 4.153 ( 1.466 0.000 0.401) 1.519 4.167 ( 4.849 0.000 7.471) 8.907 4.261 ( 6.827 0.000 -5.488) 8.760 4.449 ( 5.547 0.000 1.470) 5.738 4.473 ( -2.881 0.000 -4.648) 5.469 4.547 ( 0.280 0.000 0.175) 0.330 4.611 ( 1.887 0.000 -5.242) 5.571 4.615 ( 4.327 0.000 -5.133) 6.713 4.646 ( 5.910 0.000 4.254) 7.282 4.668 ( 2.779 0.000 -0.306) 2.796 4.922 ( -4.682 0.000 2.009) 5.095 4.991 ( -0.423 0.000 4.999) 5.017 5.064 ( 1.959 0.000 -2.158) 2.915 5.084 ( 4.276 0.000 -1.186) 4.437 5.270 ( 0.973 0.000 -0.696) 1.196 5.317 ( 6.835 0.000 -0.082) 6.835 5.440 ( 1.690 0.000 5.725) 5.969 5.458 ( -0.678 0.000 7.690) 7.720 5.522 ( -0.791 0.000 4.879) 4.943 5.553 ( 0.525 0.000 -8.155) 8.172 5.645 ( 1.760 0.000 -0.697) 1.892 5.665 ( 5.206 0.000 3.428) 6.234 5.816 ( 6.886 0.000 -2.276) 7.253 5.862 ( 4.737 0.000 0.387) 4.753 5.964 ( -7.212 0.000 -3.073) 7.840 6.036 ( 1.289 0.000 -1.487) 1.969 6.176 ( 3.062 0.000 -4.557) 5.490 6.184 ( -0.638 0.000 -5.556) 5.593 6.217 ( 1.341 0.000 4.306) 4.510 6.347 ( 2.509 0.000 4.880) 5.487 6.413 ( -0.990 0.000 5.543) 5.631 6.474 ( -4.181 0.000 2.666) 4.959 6.531 ( 2.280 0.000 -2.746) 3.569 6.639 ( -1.069 0.000 -0.132) 1.077 6.804 ( -0.138 0.000 1.014) 1.023 6.864 ( 4.843 0.000 -1.825) 5.175 7.062 ( 1.310 0.000 0.742) 1.506 7.173 ( -1.178 0.000 -1.119) 1.625 7.323 ( -1.819 0.000 4.319) 4.687 7.348 ( -0.530 0.000 -0.744) 0.913 7.439 ( 0.428 0.000 -11.310) 11.318 7.507 ( 2.305 0.000 -1.606) 2.809 7.596 ( 1.844 0.000 -3.433) 3.897 7.752 ( -4.774 0.000 3.924) 6.180 7.897 ( 1.129 0.000 -3.359) 3.544 7.903 ( -2.986 0.000 -1.577) 3.377 8.198 ( -0.299 0.000 3.462) 3.475 8.386 ( 7.629 0.000 2.576) 8.052 8.442 ( 4.120 0.000 -2.257) 4.698 8.478 ( 3.358 0.000 0.302) 3.371 8.560 ( 3.849 0.000 -6.025) 7.150 8.704 ( 4.921 0.000 2.362) 5.459 8.932 ( 3.564 0.000 -2.435) 4.316 8.946 ( 3.610 0.000 -0.356) 3.628 8.999 ( -2.663 0.000 4.719) 5.419 9.048 ( -3.800 0.000 -1.543) 4.102 9.080 ( 6.414 0.000 -2.757) 6.982 9.144 ( -5.512 0.000 4.577) 7.165 9.349 ( -2.826 0.000 2.888) 4.041 9.429 ( 0.283 0.000 4.726) 4.735 9.569 ( 3.298 0.000 -3.474) 4.790 9.571 ( -1.287 0.000 -1.183) 1.748 9.800 ( 2.786 0.000 3.263) 4.291 9.938 ( -0.532 0.000 -1.741) 1.821 10.007 ( -6.622 0.000 0.181) 6.624 10.083 ( 2.186 0.000 -1.062) 2.430 10.165 ( -3.911 0.000 -4.220) 5.754 10.301 ( 6.902 0.000 -3.165) 7.593 10.449 ( -3.155 0.000 5.317) 6.183 10.453 ( -2.666 0.000 -2.025) 3.348 10.626 ( -2.704 0.000 -0.092) 2.706 10.842 ( 1.440 0.000 -1.486) 2.069 10.937 ( -2.955 0.000 -1.388) 3.265 11.040 ( -4.820 0.000 0.052) 4.820 11.146 ( -3.387 0.000 -4.993) 6.033 11.270 ( 6.351 0.000 4.626) 7.857 11.347 ( 2.398 0.000 6.243) 6.687 11.478 ( 4.442 0.000 7.695) 8.886 12.000 ( -8.942 0.000 2.321) 9.238 12.061 ( -2.869 0.000 -2.030) 3.515 12.063 ( 3.838 0.000 -0.784) 3.917 12.147 ( 4.879 0.000 -1.356) 5.064 12.273 ( -0.759 0.000 -3.646) 3.724 12.342 ( -0.995 0.000 -2.717) 2.894 12.368 ( -3.661 0.000 0.163) 3.664 12.433 ( 0.576 0.000 0.788) 0.976 12.601 ( 3.660 0.000 -2.387) 4.370 12.627 ( 0.642 0.000 0.082) 0.648 12.814 ( -0.800 0.000 -0.095) 0.806 12.903 ( 2.223 0.000 1.927) 2.942 13.001 ( -2.274 0.000 2.112) 3.103 13.043 ( 5.415 0.000 0.050) 5.415 13.129 ( -1.737 0.000 5.824) 6.077 13.248 ( -3.709 0.000 1.205) 3.900 13.263 ( 2.246 0.000 -1.753) 2.849 13.397 ( -10.865 0.000 -0.397) 10.872 13.435 ( -2.084 0.000 -0.562) 2.159 13.507 ( 8.730 0.000 1.704) 8.895 13.649 ( -6.661 0.000 -2.502) 7.116 13.676 ( -3.937 0.000 -0.392) 3.956 13.803 ( 3.914 0.000 1.559) 4.213 13.807 ( -7.322 0.000 -2.469) 7.727 14.154 ( 5.020 0.000 -11.809) 12.832 14.333 ( 4.558 0.000 -2.212) 5.066 14.385 ( 3.039 0.000 -4.715) 5.609 14.440 ( 4.208 0.000 3.654) 5.573 14.535 ( 5.410 0.000 1.746) 5.685 14.688 ( 5.724 0.000 5.581) 7.995 14.853 ( -5.101 0.000 -0.982) 5.194 14.897 ( -1.300 0.000 -5.281) 5.439 15.210 ( -1.829 0.000 1.530) 2.385 15.296 ( -0.689 0.000 1.265) 1.440 15.421 ( 0.740 0.000 -1.621) 1.782 15.467 ( -0.764 0.000 2.884) 2.984 15.589 ( -1.060 0.000 2.982) 3.165 15.604 ( 4.450 0.000 8.230) 9.356 15.847 ( 5.949 0.000 -4.774) 7.628 16.083 ( 5.984 0.000 7.553) 9.636 16.211 ( -3.048 0.000 0.950) 3.192 16.286 ( 1.847 0.000 2.367) 3.003 16.360 ( 0.837 0.000 11.431) 11.461 16.443 ( 0.640 0.000 -4.733) 4.776 16.608 ( -6.064 0.000 -5.188) 7.980 16.941 ( -3.080 0.000 2.556) 4.002 17.040 ( -5.067 0.000 -0.757) 5.123 17.046 ( -6.879 0.000 0.908) 6.939 19.310 ( 0.296 0.000 -1.112) 1.151 19.436 ( 4.150 0.000 4.759) 6.314 19.622 ( 0.079 0.000 4.459) 4.459 19.810 ( 2.366 0.000 -0.083) 2.367 20.932 ( -2.555 0.000 -1.835) 3.145 21.175 ( -4.052 0.000 2.108) 4.568 21.224 ( 3.788 0.000 -0.464) 3.816 21.270 ( -0.515 0.000 -2.743) 2.791 25.011 ( -1.075 0.000 1.158) 1.580 25.013 ( -0.799 0.000 3.295) 3.391 25.386 ( -3.858 0.000 -4.034) 5.582 25.466 ( -1.612 0.000 1.413) 2.144 26.058 ( -0.039 0.000 5.070) 5.070 26.143 ( 0.872 0.000 -3.924) 4.020 26.151 ( -1.167 0.000 -3.429) 3.622 26.182 ( 0.556 0.000 4.822) 4.854 26.717 ( -2.141 0.000 -2.738) 3.476 26.857 ( 4.509 0.000 -14.291) 14.985 26.961 ( -2.681 0.000 -1.073) 2.888 27.244 ( -2.565 0.000 1.425) 2.934 27.371 ( -8.688 0.000 6.132) 10.634 27.388 ( 0.659 0.000 6.243) 6.278 27.426 ( -1.742 0.000 2.871) 3.358 27.559 ( -0.060 0.000 3.860) 3.861 27.600 ( 0.427 0.000 -0.475) 0.638 27.683 ( 0.542 0.000 1.832) 1.911 27.874 ( 1.006 0.000 -5.544) 5.634 28.148 ( 2.301 0.000 3.187) 3.931 28.216 ( -1.187 0.000 1.729) 2.097 28.270 ( 1.026 0.000 -3.050) 3.218 28.325 ( -5.632 0.000 -5.946) 8.190 28.407 ( -1.593 0.000 2.476) 2.944 28.521 ( 0.787 0.000 -5.262) 5.320 28.617 ( 3.300 0.000 2.555) 4.174 28.769 ( 6.052 0.000 -2.935) 6.726 29.016 ( 3.770 0.000 5.088) 6.332 29.130 ( -1.496 0.000 5.283) 5.491 29.160 ( 12.612 0.000 4.068) 13.252 29.429 ( 7.363 0.000 -1.801) 7.580 29.608 ( 0.240 0.000 -11.751) 11.754 29.855 ( -0.610 0.000 4.057) 4.102 29.931 ( 0.754 0.000 -0.037) 0.755 30.091 ( -2.306 0.000 -1.080) 2.546 30.668 ( -5.871 0.000 -1.082) 5.970 30.769 ( 4.037 0.000 8.514) 9.423 30.967 ( -0.644 0.000 6.881) 6.911 31.041 ( -8.344 0.000 -9.048) 12.308 31.623 ( 3.986 0.000 -13.879) 14.440 ======================= Grid point 52 (23/63) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -31.366 0.000 -5.100) 31.778 0.670 ( -27.537 0.000 18.800) 33.342 1.255 ( -48.894 0.000 37.396) 61.555 1.822 ( -2.772 0.000 -1.053) 2.965 1.972 ( 7.091 0.000 -16.860) 18.290 2.213 ( 0.052 0.000 -9.501) 9.501 2.325 ( 5.614 0.000 -6.797) 8.816 2.417 ( -2.112 0.000 1.720) 2.724 2.449 ( 5.885 0.000 -5.915) 8.344 2.483 ( -5.290 0.000 3.993) 6.628 2.621 ( 3.952 0.000 -5.953) 7.146 2.710 ( -5.591 0.000 -5.489) 7.835 2.748 ( -0.704 0.000 -2.913) 2.997 2.790 ( -4.353 0.000 -0.782) 4.423 2.857 ( -1.648 0.000 6.988) 7.179 3.011 ( 5.081 0.000 -5.431) 7.437 3.035 ( -0.062 0.000 3.661) 3.661 3.052 ( -0.776 0.000 2.090) 2.229 3.099 ( -0.162 0.000 1.134) 1.146 3.160 ( 3.794 0.000 6.902) 7.876 3.287 ( 0.288 0.000 3.760) 3.771 3.415 ( 2.082 0.000 4.746) 5.182 3.438 ( -5.828 0.000 -0.316) 5.837 3.657 ( 3.775 0.000 -1.581) 4.092 3.660 ( -5.956 0.000 -1.930) 6.261 3.844 ( 2.489 0.000 -6.959) 7.390 3.886 ( -1.163 0.000 3.154) 3.361 3.968 ( 2.022 0.000 1.344) 2.428 4.020 ( -2.837 0.000 2.031) 3.488 4.163 ( -2.384 0.000 3.130) 3.935 4.196 ( -2.117 0.000 7.554) 7.845 4.287 ( 3.478 0.000 2.252) 4.144 4.356 ( 4.487 0.000 2.669) 5.221 4.370 ( -3.928 0.000 -4.751) 6.165 4.542 ( 2.060 0.000 -4.751) 5.179 4.561 ( 0.551 0.000 0.670) 0.867 4.585 ( 4.183 0.000 -7.598) 8.674 4.644 ( 2.889 0.000 2.254) 3.664 4.709 ( 3.733 0.000 0.876) 3.835 4.749 ( 2.710 0.000 0.156) 2.714 4.855 ( -4.610 0.000 0.191) 4.614 5.003 ( -1.693 0.000 3.940) 4.289 5.091 ( 3.251 0.000 1.843) 3.737 5.158 ( 3.730 0.000 -0.745) 3.804 5.285 ( 0.644 0.000 0.561) 0.854 5.381 ( 0.761 0.000 -5.102) 5.159 5.444 ( 3.529 0.000 -7.065) 7.897 5.468 ( -6.273 0.000 -2.538) 6.767 5.492 ( -1.324 0.000 1.920) 2.333 5.622 ( 1.592 0.000 2.828) 3.245 5.676 ( 7.603 0.000 2.268) 7.934 5.782 ( 1.529 0.000 3.553) 3.868 5.871 ( -2.143 0.000 2.271) 3.122 5.916 ( 6.590 0.000 -4.857) 8.186 5.921 ( 3.786 0.000 -2.471) 4.521 6.045 ( 3.013 0.000 -2.856) 4.152 6.156 ( 0.071 0.000 2.342) 2.343 6.191 ( 3.176 0.000 -3.839) 4.982 6.242 ( -1.292 0.000 1.576) 2.038 6.351 ( -6.046 0.000 -5.463) 8.148 6.404 ( -5.323 0.000 2.027) 5.696 6.410 ( -5.040 0.000 2.423) 5.593 6.557 ( 2.427 0.000 -1.180) 2.699 6.641 ( 0.548 0.000 5.446) 5.474 6.773 ( -0.870 0.000 -6.378) 6.437 6.940 ( 6.079 0.000 -1.560) 6.276 7.090 ( -9.490 0.000 -11.193) 14.675 7.136 ( 3.349 0.000 3.349) 4.736 7.275 ( -0.073 0.000 1.033) 1.036 7.322 ( -1.508 0.000 0.290) 1.535 7.330 ( -0.515 0.000 -1.238) 1.340 7.527 ( 0.476 0.000 -0.243) 0.534 7.662 ( 4.897 0.000 1.623) 5.159 7.708 ( -4.285 0.000 4.586) 6.276 7.881 ( 0.306 0.000 -1.382) 1.416 7.934 ( 4.565 0.000 11.498) 12.371 8.185 ( -3.055 0.000 3.494) 4.641 8.477 ( 2.078 0.000 -1.159) 2.379 8.515 ( 2.844 0.000 2.654) 3.890 8.540 ( 2.866 0.000 -8.015) 8.512 8.559 ( 1.896 0.000 3.818) 4.263 8.806 ( 4.019 0.000 1.063) 4.157 8.943 ( -4.374 0.000 2.888) 5.242 8.950 ( -4.854 0.000 1.914) 5.217 9.015 ( 8.308 0.000 -6.673) 10.656 9.033 ( 5.471 0.000 -1.498) 5.673 9.133 ( -1.037 0.000 3.467) 3.619 9.163 ( 6.875 0.000 -4.777) 8.371 9.317 ( -1.949 0.000 1.207) 2.293 9.463 ( 0.001 0.000 1.056) 1.056 9.558 ( -1.384 0.000 -3.086) 3.382 9.570 ( 1.143 0.000 0.322) 1.187 9.812 ( -5.512 0.000 -11.868) 13.085 9.822 ( -9.372 0.000 1.798) 9.543 9.979 ( 1.274 0.000 -0.758) 1.482 10.084 ( 3.031 0.000 -5.969) 6.695 10.102 ( 2.923 0.000 -3.316) 4.420 10.378 ( -3.042 0.000 -1.679) 3.474 10.405 ( 6.339 0.000 2.790) 6.926 10.425 ( -5.123 0.000 4.785) 7.010 10.574 ( -3.136 0.000 3.527) 4.720 10.839 ( -0.470 0.000 -1.204) 1.293 10.918 ( 1.806 0.000 0.195) 1.817 11.006 ( -1.793 0.000 3.299) 3.755 11.068 ( -0.884 0.000 -2.158) 2.332 11.319 ( 0.184 0.000 -7.246) 7.248 11.413 ( 1.772 0.000 -0.392) 1.815 11.555 ( -2.029 0.000 -0.474) 2.083 12.007 ( -1.522 0.000 -0.102) 1.526 12.076 ( 7.937 0.000 21.493) 22.911 12.134 ( 4.189 0.000 1.815) 4.565 12.240 ( 5.342 0.000 1.052) 5.444 12.258 ( 0.021 0.000 2.328) 2.328 12.321 ( -1.079 0.000 0.589) 1.229 12.326 ( -1.768 0.000 1.729) 2.473 12.457 ( 0.410 0.000 1.107) 1.181 12.583 ( -3.901 0.000 -1.785) 4.290 12.655 ( 4.594 0.000 -0.927) 4.687 12.817 ( -0.228 0.000 1.863) 1.876 12.916 ( -1.234 0.000 -2.174) 2.500 12.998 ( 1.542 0.000 -1.264) 1.994 13.092 ( -2.158 0.000 -0.332) 2.184 13.165 ( -1.219 0.000 6.893) 7.000 13.214 ( -6.592 0.000 -0.404) 6.604 13.239 ( 1.762 0.000 -0.715) 1.902 13.248 ( -3.125 0.000 3.680) 4.828 13.408 ( -2.954 0.000 0.716) 3.040 13.486 ( -6.190 0.000 -2.269) 6.593 13.589 ( 1.249 0.000 -0.201) 1.265 13.685 ( -3.054 0.000 -1.902) 3.598 13.714 ( 5.105 0.000 2.425) 5.652 13.905 ( 5.986 0.000 1.248) 6.115 14.135 ( 5.859 0.000 -9.670) 11.306 14.374 ( 2.090 0.000 -2.562) 3.306 14.392 ( 1.004 0.000 -2.061) 2.292 14.436 ( -7.666 0.000 3.907) 8.604 14.654 ( 2.111 0.000 -1.058) 2.361 14.666 ( -3.096 0.000 -5.169) 6.025 14.796 ( 3.734 0.000 -1.180) 3.916 14.970 ( 6.200 0.000 -0.290) 6.206 15.172 ( -3.243 0.000 -1.363) 3.518 15.300 ( 0.210 0.000 0.699) 0.730 15.407 ( -0.419 0.000 -1.779) 1.828 15.495 ( 0.167 0.000 3.272) 3.276 15.595 ( -1.446 0.000 1.946) 2.424 15.650 ( -0.992 0.000 -4.240) 4.354 15.976 ( 5.061 0.000 7.999) 9.465 16.188 ( 0.770 0.000 -1.423) 1.618 16.222 ( 3.473 0.000 0.140) 3.475 16.325 ( 2.307 0.000 -3.968) 4.590 16.439 ( 0.473 0.000 0.333) 0.579 16.469 ( -0.311 0.000 -7.897) 7.903 16.559 ( 7.508 0.000 9.035) 11.747 16.852 ( -6.914 0.000 -0.594) 6.939 16.905 ( -9.011 0.000 0.471) 9.024 17.078 ( 3.354 0.000 2.402) 4.125 19.311 ( 1.474 0.000 -2.376) 2.796 19.517 ( -2.727 0.000 -9.034) 9.437 19.604 ( -4.357 0.000 -5.123) 6.725 19.836 ( 0.897 0.000 -0.701) 1.139 20.894 ( -0.556 0.000 1.559) 1.655 21.109 ( -3.726 0.000 -0.459) 3.755 21.260 ( 3.684 0.000 7.520) 8.374 21.282 ( 2.207 0.000 1.074) 2.455 25.006 ( -1.199 0.000 1.574) 1.979 25.173 ( 11.673 0.000 13.865) 18.125 25.321 ( -1.520 0.000 1.361) 2.041 25.481 ( -0.130 0.000 9.910) 9.911 26.066 ( -2.057 0.000 -3.714) 4.245 26.115 ( 1.577 0.000 -4.434) 4.706 26.127 ( 0.659 0.000 3.929) 3.984 26.242 ( 0.504 0.000 5.091) 5.116 26.636 ( -11.617 0.000 -23.744) 26.434 26.670 ( -1.221 0.000 1.140) 1.670 26.961 ( 0.832 0.000 2.140) 2.296 27.204 ( -2.446 0.000 0.316) 2.466 27.270 ( -8.685 0.000 3.303) 9.292 27.392 ( -1.469 0.000 -0.296) 1.499 27.548 ( 3.065 0.000 2.275) 3.817 27.577 ( -1.134 0.000 -1.599) 1.960 27.652 ( 3.925 0.000 8.424) 9.293 27.709 ( 0.844 0.000 -0.926) 1.253 27.857 ( 2.743 0.000 -2.322) 3.594 28.076 ( 0.117 0.000 5.287) 5.288 28.206 ( 0.930 0.000 2.331) 2.510 28.276 ( 2.003 0.000 -3.884) 4.370 28.277 ( -1.592 0.000 -0.364) 1.634 28.373 ( -3.086 0.000 3.712) 4.827 28.541 ( 4.286 0.000 -1.829) 4.660 28.693 ( 2.062 0.000 1.685) 2.663 28.858 ( 5.438 0.000 0.075) 5.438 29.116 ( 1.552 0.000 4.506) 4.766 29.261 ( 9.940 0.000 16.650) 19.392 29.357 ( 8.030 0.000 -0.843) 8.074 29.517 ( 4.258 0.000 -2.166) 4.777 29.525 ( 1.597 0.000 -6.942) 7.123 29.890 ( -5.004 0.000 -11.731) 12.753 29.893 ( -0.947 0.000 4.796) 4.888 30.040 ( -3.216 0.000 3.465) 4.727 30.501 ( -8.375 0.000 -1.657) 8.538 30.826 ( -5.267 0.000 -6.924) 8.700 30.873 ( -1.044 0.000 3.722) 3.866 31.047 ( 2.320 0.000 3.360) 4.084 31.414 ( -9.968 0.000 -24.698) 26.634 ======================= Grid point 53 (24/63) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -3.761 24.596 17.247) 30.275 0.972 ( 11.453 16.623 31.881) 37.734 1.478 ( -6.826 30.123 40.979) 51.316 1.816 ( 9.572 -11.737 13.323) 20.172 1.973 ( 9.449 -1.193 -13.621) 16.621 2.193 ( 3.030 -11.396 -1.829) 11.933 2.266 ( 3.043 0.516 -2.964) 4.279 2.364 ( 3.178 -3.710 3.298) 5.894 2.442 ( 2.716 -1.046 -6.084) 6.744 2.480 ( 2.979 -0.077 3.739) 4.782 2.609 ( 1.621 -0.022 -4.085) 4.395 2.727 ( 1.474 -0.138 1.659) 2.224 2.746 ( -3.822 3.730 0.139) 5.342 2.846 ( 2.277 1.379 2.556) 3.691 2.878 ( -3.954 2.211 1.307) 4.715 2.946 ( -4.359 -2.126 -2.141) 5.301 3.049 ( -3.731 -0.725 0.551) 3.840 3.065 ( 1.054 -1.420 4.651) 4.976 3.171 ( 1.840 3.125 0.869) 3.729 3.200 ( 1.713 0.734 -2.359) 3.006 3.295 ( 0.534 -0.339 -1.938) 2.038 3.357 ( -1.441 2.268 -4.541) 5.277 3.550 ( -3.407 1.597 4.331) 5.738 3.620 ( 4.681 -0.906 3.400) 5.857 3.683 ( 0.390 1.153 0.818) 1.467 3.824 ( 0.562 -2.416 0.344) 2.504 3.916 ( -0.135 -3.804 1.776) 4.201 3.984 ( -1.567 1.687 3.216) 3.955 4.007 ( -2.191 7.084 -1.745) 7.618 4.122 ( -5.012 -0.458 -1.489) 5.248 4.190 ( 1.284 2.810 -0.365) 3.111 4.285 ( -4.892 4.543 -4.450) 8.023 4.345 ( 4.762 -1.042 -4.134) 6.392 4.373 ( -2.753 -1.650 -1.510) 3.547 4.470 ( 0.932 -1.357 -4.099) 4.418 4.534 ( 2.249 -2.115 1.619) 3.486 4.610 ( -3.700 -0.652 -5.048) 6.293 4.676 ( 4.876 -3.617 -0.249) 6.077 4.735 ( 2.502 -3.619 2.557) 5.089 4.811 ( 0.022 3.417 -0.425) 3.443 4.915 ( -0.055 6.248 -2.149) 6.608 5.024 ( -0.608 -1.149 5.393) 5.547 5.090 ( 0.880 -5.704 -3.952) 6.995 5.121 ( -1.774 -3.023 1.272) 3.729 5.204 ( -3.059 -1.468 -8.105) 8.786 5.316 ( 1.749 1.242 -1.733) 2.758 5.397 ( -3.768 5.546 -5.182) 8.474 5.487 ( -2.480 2.100 -1.905) 3.767 5.496 ( 2.672 3.929 -2.294) 5.276 5.581 ( -3.130 -0.980 1.075) 3.451 5.655 ( -2.092 -1.442 1.288) 2.848 5.733 ( -4.785 -3.141 -1.949) 6.047 5.830 ( 0.832 -6.403 -2.718) 7.006 5.900 ( 0.115 0.076 3.229) 3.232 5.974 ( 0.610 -3.162 -2.941) 4.362 6.003 ( 1.866 -0.715 -6.515) 6.814 6.105 ( 2.903 -3.077 -3.091) 5.239 6.153 ( 1.548 -3.817 -4.082) 5.799 6.220 ( -0.028 -2.279 2.511) 3.391 6.333 ( 1.105 -3.589 3.005) 4.810 6.433 ( -3.605 3.020 0.335) 4.715 6.473 ( 2.032 6.223 -8.124) 10.433 6.604 ( 0.661 1.390 0.970) 1.819 6.657 ( -0.336 -0.730 0.980) 1.267 6.808 ( 1.466 1.008 6.686) 6.918 6.917 ( -3.172 -3.254 6.705) 8.100 7.029 ( 3.679 0.186 0.486) 3.716 7.155 ( 2.409 1.654 0.557) 2.975 7.307 ( -2.243 3.481 -0.712) 4.202 7.398 ( 1.337 6.294 -1.495) 6.606 7.464 ( 5.875 2.011 -0.658) 6.244 7.519 ( -4.150 2.350 0.005) 4.769 7.719 ( -0.542 0.823 3.565) 3.699 7.776 ( 2.330 1.893 1.338) 3.287 7.898 ( 0.576 -0.083 2.296) 2.369 8.034 ( 0.541 -1.249 -2.850) 3.159 8.288 ( 1.500 -9.661 10.659) 14.464 8.424 ( 1.096 -3.302 -0.762) 3.562 8.557 ( -1.945 1.577 0.084) 2.506 8.653 ( 13.266 5.180 -4.334) 14.886 8.678 ( -0.790 8.018 -0.046) 8.057 8.826 ( -1.809 -0.803 -0.900) 2.174 8.869 ( -6.057 0.350 -0.829) 6.124 8.923 ( -7.539 -4.327 -0.588) 8.712 8.960 ( -2.816 3.808 -1.826) 5.076 9.059 ( 9.726 -5.079 -1.080) 11.025 9.156 ( 2.828 -3.042 -0.528) 4.187 9.228 ( 3.031 1.514 -2.682) 4.321 9.324 ( -3.179 1.857 -0.993) 3.814 9.358 ( -4.546 -5.171 1.814) 7.120 9.457 ( -3.463 2.321 0.101) 4.170 9.512 ( -1.307 0.158 4.133) 4.338 9.656 ( 3.765 2.618 -1.197) 4.739 9.793 ( -2.851 5.419 3.467) 7.037 9.893 ( 0.722 -9.028 -5.250) 10.468 10.087 ( 2.376 -1.677 0.923) 3.051 10.168 ( 4.604 0.716 -4.938) 6.789 10.281 ( -2.429 -3.332 -1.728) 4.471 10.379 ( -3.786 -1.689 5.771) 7.106 10.435 ( -0.423 -0.164 0.749) 0.875 10.635 ( 3.200 -4.918 6.062) 8.437 10.808 ( 0.840 -2.648 -0.447) 2.814 10.909 ( -0.786 -6.076 2.276) 6.536 10.980 ( 0.271 -1.571 1.904) 2.483 11.111 ( 3.479 0.641 1.665) 3.910 11.216 ( 1.445 -1.106 -5.183) 5.493 11.416 ( -2.457 0.467 -5.708) 6.231 11.437 ( -3.567 -1.207 -2.728) 4.650 11.951 ( -4.232 -4.305 7.096) 9.317 12.027 ( -0.143 1.007 -0.491) 1.129 12.200 ( -1.002 -5.120 2.433) 5.757 12.294 ( 1.839 -1.956 2.537) 3.694 12.340 ( 3.768 4.007 4.053) 6.832 12.392 ( -1.818 4.764 4.632) 6.889 12.458 ( -3.383 2.577 1.470) 4.499 12.495 ( 4.817 2.860 2.541) 6.151 12.601 ( -1.652 2.419 0.403) 2.956 12.729 ( 0.984 3.463 -4.523) 5.780 12.830 ( -1.909 -0.661 -1.046) 2.275 12.919 ( 0.131 -2.947 -5.649) 6.373 12.985 ( 1.829 -2.689 -1.249) 3.483 13.040 ( 1.746 -2.115 -2.969) 4.041 13.127 ( -2.656 1.446 -0.218) 3.032 13.176 ( -8.879 -2.355 4.873) 10.399 13.273 ( 2.562 1.239 -2.908) 4.068 13.322 ( -1.060 0.194 6.484) 6.573 13.406 ( -0.474 2.901 -1.233) 3.188 13.542 ( 6.278 -0.651 3.877) 7.407 13.584 ( 1.500 -3.194 3.918) 5.273 13.732 ( -1.450 -1.987 -0.566) 2.524 13.769 ( 4.508 6.259 -2.331) 8.058 14.014 ( -2.837 -5.595 -1.324) 6.411 14.111 ( 12.772 1.395 0.154) 12.848 14.323 ( -2.498 -3.761 0.938) 4.611 14.402 ( -4.255 9.191 0.134) 10.129 14.474 ( 2.333 4.127 -0.484) 4.766 14.638 ( -0.320 2.435 -5.199) 5.751 14.675 ( 1.829 8.005 -8.117) 11.546 14.852 ( -4.838 -1.109 4.451) 6.667 15.026 ( 3.054 -0.356 -6.948) 7.598 15.175 ( 2.405 8.027 -6.180) 10.411 15.349 ( -2.264 2.816 -2.376) 4.324 15.414 ( 2.352 3.404 -1.964) 4.580 15.499 ( -3.452 3.181 -4.451) 6.469 15.620 ( -1.387 6.971 1.295) 7.225 15.661 ( 0.662 3.657 1.022) 3.854 15.910 ( -16.640 -6.055 2.286) 17.855 16.129 ( -3.354 -4.340 0.467) 5.504 16.145 ( -1.585 -2.912 5.903) 6.770 16.238 ( -2.251 3.314 -0.079) 4.008 16.356 ( 0.281 -12.003 -1.656) 12.120 16.427 ( 2.168 1.205 -2.380) 3.437 16.677 ( 1.955 2.177 -0.990) 3.089 16.738 ( -0.596 -0.865 -2.488) 2.700 16.844 ( -2.225 3.037 -1.344) 3.997 16.873 ( -4.189 4.790 -4.407) 7.740 19.179 ( -3.187 3.235 0.743) 4.601 19.341 ( 0.921 3.870 -4.019) 5.655 19.560 ( 0.102 -5.585 2.700) 6.204 19.780 ( 0.353 -5.639 -4.834) 7.435 20.965 ( -0.092 5.872 2.093) 6.234 21.095 ( -0.836 3.532 -1.563) 3.952 21.295 ( 0.872 -2.243 1.521) 2.847 21.378 ( 1.441 -8.807 4.188) 9.858 25.009 ( -0.605 0.462 2.143) 2.274 25.139 ( -4.063 -7.691 4.290) 9.699 25.371 ( 1.069 -0.039 3.298) 3.467 25.444 ( -2.959 -2.677 3.927) 5.599 26.046 ( -0.963 3.307 -5.056) 6.118 26.094 ( -0.695 1.476 -3.717) 4.059 26.232 ( -2.622 2.751 0.486) 3.831 26.252 ( -0.225 0.499 2.437) 2.498 26.609 ( 13.257 -1.210 6.797) 14.947 26.726 ( 4.190 -0.713 0.674) 4.303 27.050 ( 0.723 3.780 3.039) 4.904 27.149 ( -5.264 0.197 -1.895) 5.599 27.165 ( -0.932 0.120 -2.115) 2.315 27.363 ( -0.459 -0.498 -0.041) 0.678 27.418 ( -3.683 -4.684 4.173) 7.275 27.552 ( 0.304 -0.802 -1.784) 1.979 27.593 ( -0.098 3.597 -0.521) 3.636 27.802 ( -2.858 5.348 -7.513) 9.655 27.922 ( 1.241 0.082 0.775) 1.466 28.160 ( -3.261 -3.937 -3.162) 6.011 28.235 ( -2.272 4.003 -0.104) 4.604 28.280 ( 0.903 2.452 -2.331) 3.502 28.427 ( 0.264 2.552 2.496) 3.580 28.497 ( 5.425 -5.212 4.919) 8.988 28.562 ( 0.992 -2.578 -2.410) 3.666 28.661 ( 1.733 -3.826 0.282) 4.210 28.929 ( -1.719 -4.228 4.394) 6.336 29.017 ( 1.204 -5.268 0.841) 5.469 29.242 ( -10.310 1.874 6.111) 12.131 29.472 ( 0.181 3.574 -2.349) 4.280 29.550 ( 4.124 -2.203 -1.838) 5.024 29.617 ( -1.065 2.199 -5.587) 6.098 29.896 ( -3.317 2.198 2.730) 4.826 29.994 ( 15.993 0.091 1.124) 16.032 30.098 ( -1.609 2.575 5.830) 6.573 30.309 ( -2.172 -7.001 5.978) 9.459 30.800 ( 2.778 0.894 -1.447) 3.257 30.837 ( -2.084 1.757 -1.613) 3.167 31.044 ( -1.062 -2.060 -1.096) 2.563 31.174 ( 8.749 -2.344 -6.175) 10.962 ======================= Grid point 54 (25/63) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 10.455 19.986 13.655) 26.366 1.208 ( -3.318 27.710 21.226) 35.063 1.977 ( 10.815 -2.265 -11.190) 15.726 2.117 ( 7.125 -1.252 -2.719) 7.728 2.174 ( 9.350 -2.769 10.582) 14.390 2.206 ( 12.820 -1.423 21.725) 25.265 2.312 ( 2.726 -0.492 -10.293) 10.659 2.359 ( -0.243 -0.294 -9.528) 9.535 2.467 ( 0.137 -3.396 11.162) 11.668 2.502 ( -0.524 -2.242 -5.408) 5.878 2.556 ( -5.640 2.766 -1.168) 6.389 2.711 ( -1.481 0.036 4.024) 4.289 2.740 ( -0.755 -7.616 1.297) 7.762 2.811 ( -4.588 -1.655 1.057) 4.991 2.893 ( 1.244 4.048 2.652) 4.997 2.925 ( 1.913 3.358 1.246) 4.061 3.005 ( 1.203 5.715 0.859) 5.903 3.070 ( -2.284 -2.760 -2.918) 4.620 3.169 ( -1.425 -4.752 -2.142) 5.404 3.221 ( -3.052 2.328 0.587) 3.883 3.283 ( 6.449 1.006 -4.699) 8.043 3.327 ( 0.986 3.238 2.101) 3.984 3.542 ( -2.494 -0.660 6.740) 7.217 3.674 ( -0.279 1.159 -2.376) 2.658 3.756 ( 3.195 0.034 -0.746) 3.281 3.845 ( -3.740 5.180 -9.182) 11.187 3.930 ( 3.286 -3.365 7.613) 8.949 3.986 ( 7.079 -1.555 3.501) 8.049 4.022 ( 1.887 1.970 4.949) 5.651 4.073 ( 0.956 5.430 0.411) 5.529 4.131 ( -5.249 1.850 -2.058) 5.934 4.192 ( -0.225 4.366 -8.548) 9.601 4.309 ( 0.488 -0.620 0.806) 1.128 4.390 ( 0.714 1.128 -2.997) 3.281 4.484 ( 2.557 -2.652 3.357) 4.984 4.495 ( -3.777 -2.044 -3.322) 5.430 4.536 ( -1.546 -4.594 -0.814) 4.915 4.706 ( -3.926 -1.395 0.796) 4.242 4.777 ( 0.868 -4.087 3.345) 5.352 4.829 ( -0.871 0.144 -1.806) 2.010 4.926 ( 2.905 -2.063 4.053) 5.396 5.000 ( -1.195 -4.033 -6.196) 7.489 5.041 ( -4.914 0.664 2.650) 5.623 5.100 ( -2.159 1.560 0.843) 2.794 5.166 ( 3.278 2.628 -1.601) 4.496 5.266 ( 0.621 3.875 -7.349) 8.331 5.299 ( -4.009 4.684 -2.909) 6.817 5.398 ( -2.396 -0.167 -4.065) 4.721 5.477 ( -1.107 1.470 -2.813) 3.361 5.553 ( 0.702 0.739 -1.534) 1.842 5.644 ( -1.517 -1.518 0.922) 2.336 5.681 ( -2.002 -3.535 2.715) 4.886 5.810 ( -0.746 -6.724 -2.146) 7.098 5.913 ( -1.167 -4.052 -2.690) 5.002 5.938 ( -0.668 -1.653 1.354) 2.239 6.005 ( 2.127 1.982 -3.871) 4.841 6.091 ( -0.393 -3.909 -4.464) 5.946 6.108 ( 2.711 -2.356 -5.054) 6.200 6.263 ( 0.361 -1.100 4.419) 4.569 6.331 ( -2.944 -3.024 -2.270) 4.792 6.393 ( -0.571 0.671 -0.554) 1.040 6.442 ( 0.250 2.008 1.598) 2.579 6.626 ( -0.075 -0.489 1.217) 1.313 6.674 ( -1.297 1.046 2.579) 3.070 6.808 ( -4.529 -1.401 3.461) 5.870 6.988 ( -3.016 -3.980 4.329) 6.609 7.060 ( 1.530 1.170 2.022) 2.792 7.225 ( 2.000 3.422 -1.725) 4.323 7.266 ( 1.000 7.192 0.941) 7.322 7.374 ( -0.667 6.596 -3.184) 7.354 7.475 ( -0.030 1.036 -2.478) 2.686 7.537 ( 2.666 -2.189 1.358) 3.708 7.763 ( 0.438 1.278 5.124) 5.299 7.806 ( -0.747 1.925 2.036) 2.900 7.936 ( 0.477 -1.974 1.433) 2.485 7.966 ( -1.746 1.541 -3.889) 4.533 8.344 ( -1.307 -10.463 3.283) 11.043 8.452 ( -2.065 -4.083 -1.658) 4.867 8.479 ( -3.620 2.429 0.961) 4.464 8.635 ( -8.361 5.248 2.187) 10.111 8.659 ( -9.076 1.259 -2.341) 9.457 8.726 ( 0.000 4.552 -1.599) 4.825 8.806 ( 1.406 0.549 -2.482) 2.905 8.879 ( 0.715 -1.825 -0.715) 2.087 8.938 ( 1.559 2.182 -1.053) 2.881 9.152 ( 2.789 -1.616 -1.984) 3.785 9.168 ( -1.298 -0.934 -1.186) 1.991 9.199 ( -4.866 0.636 -1.206) 5.053 9.272 ( -0.848 1.953 -0.990) 2.348 9.329 ( -0.804 -2.879 0.254) 3.000 9.491 ( 5.459 -0.867 3.529) 6.559 9.556 ( 0.600 -0.653 3.019) 3.147 9.711 ( 3.223 -0.599 -1.697) 3.691 9.802 ( 1.311 6.372 1.180) 6.612 9.866 ( 1.837 -8.846 -3.534) 9.701 10.130 ( 1.370 0.442 0.343) 1.480 10.185 ( 3.991 0.789 -4.883) 6.355 10.225 ( -1.419 -2.269 -3.180) 4.156 10.369 ( -2.569 -0.738 2.550) 3.694 10.436 ( -0.479 -0.085 1.721) 1.789 10.737 ( -0.082 -6.134 6.337) 8.819 10.808 ( 0.213 -2.009 -1.728) 2.658 10.910 ( -0.404 -5.783 1.885) 6.096 11.003 ( -0.014 -5.019 0.463) 5.041 11.136 ( 0.364 0.498 -4.228) 4.273 11.278 ( 3.931 1.814 3.881) 5.814 11.284 ( -3.583 2.973 -5.077) 6.888 11.335 ( -4.093 -0.547 -3.223) 5.238 11.967 ( 0.291 -1.386 3.249) 3.544 12.051 ( 1.389 -2.647 2.606) 3.966 12.190 ( -1.465 -1.795 0.636) 2.403 12.305 ( -2.890 -0.603 1.692) 3.403 12.384 ( -0.139 -0.585 1.001) 1.167 12.430 ( -1.271 3.533 3.686) 5.262 12.477 ( 1.281 4.049 6.666) 7.904 12.544 ( -0.861 1.876 0.102) 2.067 12.592 ( 1.079 6.719 0.289) 6.811 12.704 ( 2.088 -2.947 -1.186) 3.802 12.812 ( -0.477 3.282 1.362) 3.585 12.878 ( 1.230 -2.415 -4.707) 5.431 12.976 ( 1.162 -1.833 -3.462) 4.086 13.033 ( -6.108 -4.138 4.320) 8.550 13.054 ( -2.667 1.917 -0.879) 3.400 13.136 ( 1.365 -2.569 2.839) 4.066 13.280 ( -0.182 -0.450 -1.726) 1.793 13.367 ( -3.960 1.933 2.354) 4.995 13.390 ( 2.137 1.583 4.201) 4.972 13.571 ( -9.294 -5.290 -3.303) 11.192 13.616 ( 2.898 -4.096 0.603) 5.054 13.671 ( 2.290 -3.028 1.873) 4.234 13.855 ( 4.285 6.839 -0.593) 8.092 13.958 ( -2.975 0.907 -1.298) 3.370 14.291 ( 1.219 0.710 -0.524) 1.505 14.338 ( 1.333 1.413 -0.996) 2.183 14.408 ( 3.996 4.897 2.973) 6.985 14.493 ( -0.714 1.244 -1.709) 2.231 14.530 ( 1.290 1.684 -6.071) 6.431 14.639 ( 5.482 7.420 -7.749) 12.047 14.790 ( -6.231 2.256 3.826) 7.652 14.971 ( -0.839 1.457 -5.057) 5.329 15.164 ( -2.259 1.093 -0.702) 2.606 15.279 ( -0.244 4.372 -2.667) 5.127 15.406 ( -0.381 4.234 -3.535) 5.529 15.441 ( 0.809 3.840 0.174) 3.929 15.613 ( -2.656 4.841 2.098) 5.907 15.670 ( -0.989 5.782 0.963) 5.944 15.758 ( -4.941 -1.713 7.192) 8.893 16.052 ( -1.483 -4.453 -3.071) 5.609 16.117 ( -6.340 2.914 4.262) 8.176 16.253 ( 1.700 4.008 1.201) 4.516 16.344 ( -1.032 -10.970 -0.498) 11.030 16.485 ( 4.689 -1.784 0.585) 5.051 16.669 ( -0.138 2.260 1.318) 2.620 16.796 ( 8.259 -0.970 -3.743) 9.119 16.861 ( 4.861 -2.406 0.716) 5.471 16.888 ( 3.891 0.735 -2.173) 4.517 19.190 ( 1.897 0.910 -0.606) 2.190 19.335 ( 2.531 3.204 -2.741) 4.918 19.580 ( -1.404 -5.476 3.491) 6.644 19.738 ( -0.428 -4.815 -3.792) 6.143 20.995 ( 0.915 4.941 2.194) 5.484 21.092 ( 2.071 4.077 -1.767) 4.902 21.275 ( -3.635 -2.957 1.024) 4.796 21.394 ( -1.899 -4.806 0.410) 5.184 25.026 ( -0.139 0.787 2.537) 2.660 25.101 ( -2.729 -1.781 2.373) 4.032 25.437 ( 1.082 -1.737 1.862) 2.767 25.482 ( 3.796 -2.703 5.140) 6.938 25.989 ( -0.976 3.910 -1.973) 4.487 26.050 ( 0.088 2.374 -3.328) 4.089 26.240 ( -0.170 1.002 2.291) 2.506 26.263 ( -0.741 0.554 1.586) 1.837 26.756 ( 0.986 -0.064 -0.700) 1.211 26.887 ( 9.334 -5.525 -0.602) 10.863 27.081 ( 0.453 1.175 4.112) 4.301 27.124 ( 4.216 0.490 0.338) 4.258 27.151 ( 1.916 0.806 -1.956) 2.855 27.357 ( 1.526 1.938 -1.781) 3.043 27.376 ( -5.193 -4.240 4.958) 8.338 27.552 ( 0.988 -1.759 -1.286) 2.393 27.604 ( 0.829 4.806 0.394) 4.893 27.706 ( -0.363 8.030 -3.831) 8.905 27.978 ( 0.310 -3.566 3.142) 4.763 28.054 ( -2.995 -2.998 -5.088) 6.622 28.171 ( -3.802 4.631 -0.677) 6.030 28.284 ( 1.817 2.878 -0.707) 3.476 28.426 ( -1.516 1.368 -0.459) 2.093 28.515 ( -2.713 -3.763 -0.941) 4.734 28.576 ( -0.720 -6.390 4.467) 7.830 28.679 ( 0.262 -1.487 -0.210) 1.524 28.896 ( -4.754 -2.823 1.792) 5.812 28.957 ( -9.111 -4.998 0.747) 10.418 29.157 ( -5.542 3.656 5.347) 8.525 29.362 ( -10.646 2.326 -0.682) 10.918 29.515 ( -2.828 1.472 -3.302) 4.590 29.658 ( 4.822 2.916 -4.400) 7.150 29.895 ( 3.276 4.496 1.958) 5.898 30.084 ( -4.433 2.751 3.626) 6.353 30.142 ( 1.836 -1.771 3.144) 4.048 30.406 ( 4.557 -7.259 1.526) 8.706 30.642 ( -8.743 -0.680 -4.754) 9.975 30.922 ( -2.527 -7.137 0.744) 7.608 31.021 ( 12.048 5.771 -1.641) 13.459 31.408 ( 16.999 -6.404 -7.658) 19.713 ======================= Grid point 55 (26/63) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 3.972 21.537 10.154) 24.139 1.409 ( 13.163 13.019 8.926) 20.553 1.877 ( -11.572 2.317 -26.959) 29.429 1.992 ( 2.046 0.280 -14.416) 14.563 2.061 ( -0.939 -1.721 -6.016) 6.327 2.188 ( -4.327 -2.516 -2.621) 5.650 2.241 ( -9.650 -0.398 -5.881) 11.308 2.313 ( -1.740 -0.490 -11.030) 11.177 2.427 ( 2.618 -6.973 -6.564) 9.928 2.617 ( 1.836 -0.234 4.293) 4.675 2.662 ( -5.597 -2.667 -0.327) 6.209 2.725 ( 1.253 -8.601 4.166) 9.639 2.794 ( -2.382 -1.776 0.068) 2.972 2.838 ( 2.417 1.324 5.010) 5.718 2.937 ( 5.469 2.820 6.810) 9.178 2.998 ( 2.604 2.592 0.266) 3.684 3.052 ( -1.098 3.637 3.013) 4.849 3.108 ( 1.222 -4.512 7.264) 8.638 3.144 ( 4.555 6.494 9.880) 12.670 3.185 ( 0.306 0.812 1.338) 1.594 3.372 ( 8.604 -1.839 -3.196) 9.361 3.388 ( 2.030 5.333 2.301) 6.153 3.603 ( -0.598 -0.657 7.059) 7.114 3.643 ( 1.904 2.150 -2.793) 4.006 3.745 ( -1.457 0.362 -2.006) 2.506 3.756 ( 3.200 3.026 -4.415) 6.236 3.971 ( 0.394 -1.506 -11.600) 11.704 4.014 ( -2.092 5.076 3.647) 6.591 4.086 ( 4.517 1.928 3.010) 5.760 4.112 ( 3.987 5.639 -0.655) 6.937 4.178 ( 4.587 2.769 -1.404) 5.538 4.273 ( 5.458 2.846 -0.376) 6.167 4.318 ( -1.976 -1.341 -0.520) 2.444 4.367 ( -0.133 1.180 6.458) 6.566 4.410 ( -2.197 -1.998 0.349) 2.990 4.533 ( 2.298 -7.476 0.758) 7.857 4.584 ( 2.529 -2.261 3.063) 4.570 4.649 ( -3.494 -2.808 1.007) 4.594 4.710 ( -5.579 -3.879 -2.578) 7.268 4.821 ( -1.945 1.369 3.165) 3.960 4.900 ( -2.407 -5.770 -1.772) 6.498 4.977 ( -4.728 -0.071 3.043) 5.624 5.026 ( -2.023 -0.005 3.096) 3.698 5.091 ( -0.064 1.856 -4.377) 4.755 5.150 ( 2.370 3.659 -0.283) 4.369 5.240 ( 2.954 -0.033 -4.357) 5.264 5.296 ( 1.871 2.991 3.059) 4.670 5.344 ( -1.589 -0.407 -0.292) 1.666 5.417 ( -1.442 2.513 -2.518) 3.838 5.578 ( 0.249 -0.507 1.070) 1.210 5.611 ( -1.377 -1.573 -3.267) 3.879 5.656 ( -3.011 -4.011 1.415) 5.211 5.773 ( -2.970 -4.052 1.558) 5.260 5.848 ( -1.134 -3.779 -4.576) 6.042 5.929 ( -2.326 0.471 2.050) 3.136 5.960 ( -0.676 0.937 -2.843) 3.068 6.083 ( 0.189 -2.232 -0.102) 2.242 6.147 ( 6.041 -2.153 -4.049) 7.584 6.245 ( -3.667 -4.127 -0.962) 5.604 6.324 ( 0.633 -0.914 4.347) 4.487 6.381 ( 0.049 -2.007 0.087) 2.010 6.467 ( 0.171 -1.676 0.979) 1.948 6.601 ( -4.026 0.519 0.533) 4.095 6.677 ( -0.339 -0.295 1.990) 2.040 6.758 ( -3.756 -0.195 0.743) 3.834 6.906 ( -6.247 2.764 1.430) 6.980 7.099 ( -1.258 -1.209 -0.420) 1.794 7.175 ( -1.189 3.923 -1.818) 4.485 7.328 ( 0.335 3.928 1.607) 4.257 7.349 ( 1.481 3.957 -0.913) 4.322 7.445 ( 1.037 2.235 -4.823) 5.416 7.622 ( 5.571 -3.323 0.243) 6.491 7.753 ( -5.949 1.577 1.784) 6.407 7.820 ( 0.672 0.518 1.518) 1.739 7.921 ( 0.624 1.127 -1.285) 1.819 7.973 ( 0.197 -3.121 2.710) 4.138 8.323 ( -6.251 -4.990 0.395) 8.009 8.362 ( -4.436 4.302 1.611) 6.386 8.407 ( -3.719 -2.853 -2.672) 5.396 8.456 ( -6.054 2.310 -1.910) 6.755 8.571 ( -2.679 4.535 -0.704) 5.315 8.740 ( -2.837 2.788 -0.383) 3.996 8.751 ( -2.451 -2.149 -0.489) 3.296 8.899 ( 2.984 -1.398 -2.485) 4.127 8.956 ( 1.181 2.204 -0.822) 2.632 9.052 ( -6.588 2.158 -1.197) 7.035 9.143 ( 0.372 3.763 -0.837) 3.873 9.168 ( -3.392 -2.219 5.755) 7.039 9.295 ( 5.275 -0.670 -2.574) 5.908 9.336 ( 0.469 -1.344 0.897) 1.682 9.566 ( -2.170 -1.252 1.460) 2.899 9.625 ( 5.127 -3.072 2.494) 6.476 9.720 ( -0.904 -1.941 0.328) 2.166 9.858 ( 2.412 4.887 -0.227) 5.455 9.867 ( 3.693 -8.673 -3.974) 10.230 10.120 ( -2.555 1.807 0.659) 3.198 10.181 ( 0.826 2.034 -3.112) 3.809 10.250 ( 7.618 -0.882 -3.147) 8.289 10.343 ( -1.602 0.846 -0.044) 1.812 10.446 ( -0.429 -0.325 1.513) 1.605 10.750 ( -4.269 -5.166 4.584) 8.119 10.797 ( 0.851 -2.800 -2.823) 4.066 10.920 ( 0.978 -8.074 -2.945) 8.650 10.994 ( -1.246 -5.032 3.141) 6.061 11.060 ( -2.302 2.672 -4.623) 5.814 11.192 ( -3.548 1.615 -1.162) 4.068 11.271 ( 2.329 6.081 -1.241) 6.629 11.416 ( 2.998 2.196 5.262) 6.442 12.005 ( 1.243 -0.504 0.599) 1.469 12.092 ( -0.755 -4.259 3.192) 5.376 12.181 ( -0.304 2.316 -0.439) 2.377 12.269 ( -1.436 2.645 1.816) 3.515 12.418 ( 2.146 0.226 -0.200) 2.167 12.425 ( -0.242 -3.284 0.724) 3.371 12.521 ( 0.234 2.804 1.623) 3.249 12.545 ( -0.955 -2.130 0.922) 2.509 12.654 ( 3.844 2.265 2.674) 5.202 12.746 ( 2.620 -2.877 -0.263) 3.901 12.820 ( -1.949 -1.231 1.342) 2.667 12.858 ( -0.426 -2.939 -1.192) 3.200 12.914 ( -3.883 -1.132 0.956) 4.156 13.003 ( -2.281 -0.420 3.633) 4.310 13.063 ( 4.004 1.220 -2.564) 4.908 13.192 ( -6.293 -2.170 -2.819) 7.229 13.214 ( 0.959 -1.322 3.607) 3.959 13.324 ( -4.584 1.360 3.253) 5.784 13.382 ( -3.279 -6.395 -1.924) 7.440 13.498 ( 2.801 -1.636 4.750) 5.752 13.675 ( 4.261 0.841 -2.148) 4.846 13.745 ( 5.617 -0.816 -1.668) 5.916 13.884 ( 1.028 5.792 -2.801) 6.515 13.900 ( -1.525 3.938 -1.224) 4.397 14.159 ( -8.242 6.087 -5.765) 11.756 14.242 ( -7.159 2.217 -1.831) 7.715 14.438 ( -1.800 -2.585 0.710) 3.229 14.490 ( 0.983 -1.311 -2.401) 2.906 14.637 ( 8.387 4.100 -2.381) 9.634 14.717 ( 4.171 8.062 1.118) 9.145 14.740 ( -1.716 -1.431 3.671) 4.298 14.922 ( 1.417 2.545 -4.210) 5.119 15.098 ( -1.481 -0.380 -1.550) 2.177 15.299 ( 1.071 5.141 1.623) 5.496 15.392 ( 1.188 0.301 -1.115) 1.656 15.468 ( 0.605 3.937 2.610) 4.763 15.576 ( -2.817 3.035 0.445) 4.164 15.653 ( -3.224 5.066 3.290) 6.848 15.786 ( 0.475 1.302 3.649) 3.903 16.022 ( -3.236 0.801 1.792) 3.785 16.052 ( -1.583 -0.183 -0.185) 1.604 16.290 ( -3.851 -6.223 -0.958) 7.380 16.331 ( 4.113 2.514 2.665) 5.508 16.557 ( 1.603 -1.502 1.270) 2.537 16.704 ( 2.367 -2.777 1.108) 3.813 16.901 ( 8.494 -1.386 -5.464) 10.195 16.917 ( 2.489 -2.558 -2.130) 4.156 16.977 ( 6.103 -4.039 1.763) 7.527 19.220 ( 1.691 0.687 0.450) 1.880 19.370 ( 3.012 2.203 -0.085) 3.733 19.578 ( -3.003 -5.148 3.505) 6.914 19.686 ( -1.005 -3.689 -3.749) 5.355 21.038 ( 1.942 2.412 1.393) 3.396 21.104 ( 0.526 4.189 -1.910) 4.634 21.224 ( -2.067 -1.926 0.802) 2.937 21.342 ( -3.937 -0.340 -0.112) 3.953 25.049 ( -0.235 0.726 2.180) 2.310 25.093 ( -0.305 -0.383 0.583) 0.761 25.467 ( 1.413 -0.785 0.123) 1.621 25.609 ( 3.766 -5.671 4.461) 8.139 25.968 ( -0.321 3.289 -0.216) 3.311 26.033 ( 0.324 2.793 -0.910) 2.955 26.251 ( -0.823 0.821 1.283) 1.732 26.259 ( -0.899 1.021 0.651) 1.508 26.717 ( 0.463 1.825 -5.990) 6.279 26.944 ( 3.426 -3.883 -6.749) 8.506 27.160 ( 0.481 -0.573 -1.580) 1.748 27.202 ( 5.970 -1.875 2.032) 6.579 27.244 ( 4.396 -1.156 7.567) 8.827 27.369 ( -0.999 -0.301 6.857) 6.936 27.424 ( 5.267 -2.532 1.335) 5.995 27.546 ( -0.621 -2.562 -0.390) 2.665 27.614 ( 2.708 6.290 -2.062) 7.152 27.708 ( -1.218 9.913 4.194) 10.833 27.899 ( -2.390 -1.962 -6.885) 7.547 28.058 ( -0.607 -0.257 2.522) 2.607 28.127 ( -0.083 5.002 1.912) 5.356 28.286 ( -1.182 1.213 -3.336) 3.741 28.382 ( -0.640 1.308 -1.748) 2.275 28.476 ( -1.075 -2.002 -0.105) 2.275 28.581 ( -2.492 -4.985 3.029) 6.343 28.670 ( -1.283 -1.616 -0.518) 2.127 28.756 ( -10.150 -6.491 -2.572) 12.320 28.824 ( -7.272 -4.105 1.813) 8.545 29.080 ( -7.437 3.362 -0.458) 8.175 29.157 ( -11.020 8.530 2.664) 14.188 29.428 ( -2.786 -0.475 -2.714) 3.918 29.694 ( 4.450 0.226 -3.580) 5.716 29.991 ( 2.886 1.381 0.569) 3.249 30.050 ( 0.192 3.691 -1.197) 3.885 30.194 ( -2.759 -1.250 8.643) 9.158 30.418 ( -2.496 -6.564 0.038) 7.022 30.459 ( -5.937 1.060 -5.443) 8.124 30.933 ( 2.323 -8.810 3.702) 9.834 31.252 ( 13.908 5.121 -1.870) 14.939 31.556 ( 9.671 -3.316 -7.599) 12.739 ======================= Grid point 56 (27/63) ======================= q-point: ( 0.38 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 4.143 6.851 -9.014) 12.056 1.633 ( 3.574 9.068 3.499) 10.356 1.668 ( 8.364 6.387 1.320) 10.606 1.869 ( -1.903 -2.416 -3.084) 4.356 1.961 ( -5.686 0.294 2.120) 6.075 2.058 ( -6.617 1.214 1.085) 6.814 2.137 ( 2.202 0.828 -1.450) 2.763 2.312 ( 15.070 4.945 -15.421) 22.122 2.398 ( -1.248 -6.933 -2.526) 7.483 2.534 ( -5.387 -1.018 1.809) 5.773 2.637 ( -0.603 -1.172 -2.409) 2.746 2.733 ( -1.675 -1.909 -1.897) 3.170 2.793 ( -0.200 -6.452 5.754) 8.647 2.819 ( 1.071 0.172 -3.823) 3.974 2.996 ( -4.993 3.182 1.523) 6.113 3.070 ( 1.581 6.144 4.848) 7.985 3.093 ( -0.861 -2.376 7.118) 7.553 3.152 ( -1.493 1.477 7.541) 7.828 3.186 ( -0.342 2.579 2.153) 3.377 3.362 ( 3.042 0.591 3.668) 4.802 3.433 ( 2.471 -1.065 -1.924) 3.308 3.476 ( 2.822 -2.193 -0.744) 3.650 3.596 ( -3.209 4.485 3.124) 6.338 3.720 ( 5.434 0.203 1.191) 5.567 3.771 ( 9.118 1.109 -4.618) 10.281 3.831 ( 5.147 -1.772 -1.707) 5.704 3.911 ( 3.544 3.637 -3.523) 6.180 4.025 ( -2.337 9.289 2.468) 9.891 4.135 ( -2.177 -0.142 -2.302) 3.172 4.146 ( 0.197 1.693 -0.383) 1.747 4.172 ( 0.350 4.559 -9.026) 10.119 4.234 ( -1.815 3.697 -4.050) 5.776 4.261 ( 1.544 -3.980 1.286) 4.459 4.416 ( -0.523 3.275 3.053) 4.508 4.480 ( 2.173 1.898 0.513) 2.930 4.549 ( -4.639 -1.693 -2.498) 5.534 4.576 ( -3.463 -2.831 -2.129) 4.954 4.620 ( 2.416 -0.661 -1.859) 3.119 4.656 ( 2.171 -5.253 1.983) 6.020 4.824 ( -5.584 -8.026 1.638) 9.914 4.852 ( -1.640 0.338 6.298) 6.517 4.927 ( -3.600 -3.335 -0.176) 4.911 4.986 ( -2.451 -4.304 -2.078) 5.371 5.089 ( 4.294 3.011 -0.380) 5.259 5.178 ( 1.033 1.766 -2.592) 3.302 5.236 ( -3.137 3.392 0.828) 4.693 5.327 ( -0.411 -0.280 3.467) 3.502 5.371 ( 3.414 0.985 -3.045) 4.680 5.403 ( 0.986 1.810 2.517) 3.253 5.538 ( -3.841 -0.528 1.917) 4.325 5.555 ( 0.073 -3.540 -2.286) 4.214 5.659 ( -1.566 -3.159 1.779) 3.949 5.711 ( -3.120 1.514 1.177) 3.662 5.817 ( 0.569 -2.510 -2.465) 3.564 5.916 ( -1.632 -0.769 0.135) 1.809 5.957 ( 0.061 -0.087 3.591) 3.592 6.088 ( 2.582 -2.051 -3.289) 4.657 6.131 ( -2.564 -1.916 -3.281) 4.583 6.241 ( 3.582 -5.420 -0.273) 6.503 6.364 ( -0.824 -4.934 1.403) 5.195 6.402 ( 0.550 0.010 3.927) 3.965 6.474 ( -1.245 -3.657 3.013) 4.900 6.529 ( -3.613 2.011 -0.098) 4.136 6.675 ( -3.213 -0.461 -3.173) 4.539 6.704 ( -0.669 0.243 2.672) 2.765 6.850 ( -1.644 6.785 0.229) 6.985 7.038 ( -2.170 -3.266 -0.552) 3.959 7.152 ( -1.151 1.039 -0.296) 1.578 7.319 ( -2.474 2.136 2.071) 3.869 7.388 ( 2.574 1.515 -1.755) 3.465 7.441 ( 2.940 3.710 -1.039) 4.846 7.616 ( -0.540 3.657 -8.255) 9.045 7.755 ( -0.014 -7.705 6.712) 10.219 7.821 ( 0.399 -0.063 -2.768) 2.798 7.907 ( -0.616 -0.427 -2.180) 2.305 7.999 ( -0.504 -1.329 1.688) 2.207 8.214 ( -5.646 1.089 0.715) 5.795 8.278 ( -3.524 5.653 -1.415) 6.810 8.320 ( 0.395 4.040 -3.639) 5.451 8.470 ( 2.298 -2.941 1.722) 4.110 8.518 ( -1.811 3.828 -1.539) 4.506 8.613 ( -6.400 -2.208 -2.807) 7.329 8.731 ( -3.006 0.156 4.721) 5.599 8.918 ( -0.269 1.369 0.913) 1.667 8.969 ( 1.183 0.674 -0.896) 1.630 8.979 ( -0.249 2.323 -0.957) 2.525 9.167 ( 0.310 1.648 3.186) 3.600 9.186 ( -2.228 1.270 6.840) 7.305 9.332 ( 1.196 -3.447 -1.648) 4.003 9.394 ( 5.522 -1.058 -0.609) 5.656 9.516 ( -3.923 1.403 0.187) 4.170 9.685 ( -2.599 -1.822 0.789) 3.271 9.714 ( 1.562 -4.039 2.210) 4.862 9.857 ( 1.788 -10.059 -2.834) 10.603 9.936 ( 4.775 6.304 -0.394) 7.918 10.074 ( -2.679 2.244 -0.251) 3.504 10.196 ( 2.588 6.862 -1.005) 7.402 10.320 ( -1.201 -1.068 1.699) 2.338 10.352 ( 6.542 -1.689 -3.600) 7.656 10.456 ( -0.490 -0.246 2.822) 2.875 10.698 ( -4.218 -5.130 0.637) 6.672 10.772 ( 1.403 -5.774 -4.095) 7.216 10.910 ( 1.408 -5.080 -2.031) 5.649 10.991 ( -2.249 -4.075 3.263) 5.684 11.058 ( 1.366 0.215 3.357) 3.631 11.156 ( -0.270 1.748 0.511) 1.841 11.319 ( 2.753 6.364 0.252) 6.939 11.469 ( -1.681 3.161 2.328) 4.271 12.013 ( -0.289 0.191 -0.561) 0.659 12.109 ( 0.085 -3.963 1.910) 4.400 12.141 ( -2.049 5.131 -1.769) 5.802 12.297 ( 1.933 0.081 -1.095) 2.223 12.392 ( -0.417 -2.453 -3.402) 4.215 12.486 ( 4.179 -2.827 -3.950) 6.408 12.499 ( -1.025 -3.679 0.721) 3.886 12.562 ( 0.895 0.690 -0.357) 1.185 12.684 ( -1.015 0.646 -1.997) 2.331 12.718 ( -5.319 -3.987 -3.787) 7.650 12.794 ( -1.764 -1.701 3.257) 4.076 12.873 ( 1.334 -3.422 1.085) 3.830 12.896 ( 0.359 -3.554 1.221) 3.775 13.023 ( 0.545 0.550 2.458) 2.577 13.037 ( -4.741 -1.579 -0.781) 5.057 13.105 ( -0.051 0.434 0.198) 0.479 13.218 ( 0.460 -0.028 -0.774) 0.901 13.279 ( -4.585 1.107 3.547) 5.901 13.436 ( 3.732 -5.286 4.849) 8.086 13.579 ( 0.230 -4.908 4.526) 6.680 13.730 ( 4.426 5.236 -2.864) 7.430 13.793 ( 3.704 2.455 -4.828) 6.562 13.845 ( -0.218 4.220 -2.492) 4.906 13.918 ( 3.670 3.057 2.202) 5.259 14.013 ( -3.548 6.086 -2.150) 7.366 14.119 ( -5.937 5.418 1.572) 8.189 14.343 ( -4.794 -1.853 -7.184) 8.833 14.468 ( -0.870 -4.220 -2.228) 4.851 14.688 ( -0.307 0.060 -1.158) 1.199 14.751 ( 0.327 4.673 1.848) 5.036 14.785 ( 1.924 2.780 0.841) 3.484 14.973 ( 6.561 4.198 -1.967) 8.034 15.094 ( 0.080 0.772 1.924) 2.075 15.335 ( 1.752 5.018 0.585) 5.347 15.409 ( 0.798 -2.481 0.568) 2.667 15.493 ( -0.812 2.334 1.689) 2.993 15.537 ( -1.571 3.248 0.073) 3.609 15.629 ( -4.292 2.724 3.965) 6.447 15.832 ( 1.911 3.567 1.023) 4.174 15.961 ( -4.185 2.272 1.596) 5.022 16.076 ( 0.985 0.210 3.350) 3.498 16.217 ( -2.886 -2.817 -0.575) 4.073 16.410 ( 2.588 0.384 0.690) 2.706 16.555 ( -1.792 3.872 -1.012) 4.385 16.749 ( 1.824 -9.246 -0.353) 9.431 16.946 ( 2.401 -3.423 0.733) 4.245 16.972 ( 5.546 -1.670 -5.018) 7.663 17.088 ( 3.973 -3.896 1.834) 5.859 19.252 ( 0.956 0.548 1.198) 1.628 19.415 ( 1.219 0.472 0.320) 1.346 19.548 ( -3.939 -4.621 2.746) 6.664 19.646 ( 0.289 -3.327 -1.804) 3.796 21.077 ( 0.119 2.039 -2.114) 2.940 21.089 ( 1.475 1.751 2.180) 3.161 21.227 ( -0.289 1.760 1.917) 2.619 21.274 ( -2.993 1.213 -0.042) 3.230 25.056 ( -0.665 0.570 0.830) 1.207 25.091 ( -0.020 -0.304 -0.790) 0.847 25.485 ( 1.105 0.161 -0.970) 1.479 25.669 ( 0.257 -5.833 -0.051) 5.839 25.972 ( 0.120 2.783 1.317) 3.081 26.037 ( 0.206 2.454 0.732) 2.569 26.238 ( -0.790 0.915 -0.539) 1.324 26.247 ( -1.183 0.847 0.197) 1.469 26.692 ( 2.620 2.533 -3.910) 5.345 26.917 ( 2.993 -2.562 -8.618) 9.476 27.145 ( 0.329 -0.872 -1.668) 1.910 27.277 ( 2.210 -3.719 -1.575) 4.603 27.361 ( 3.009 -2.161 3.723) 5.252 27.422 ( -1.488 -2.515 3.372) 4.462 27.507 ( 1.269 -0.553 0.632) 1.522 27.548 ( -0.738 -2.515 5.726) 6.298 27.647 ( -4.191 4.762 2.114) 6.687 27.758 ( 7.474 2.939 2.270) 8.346 27.856 ( 0.084 9.796 -1.009) 9.848 28.046 ( -0.070 2.419 1.836) 3.037 28.160 ( -0.089 2.655 -2.026) 3.341 28.201 ( -2.125 -1.398 -2.305) 3.433 28.381 ( 1.691 1.314 -1.392) 2.554 28.451 ( -1.502 -2.941 -1.148) 3.496 28.579 ( -1.142 -1.855 3.444) 4.075 28.617 ( -2.861 -2.102 -0.707) 3.620 28.639 ( -2.718 -6.165 4.679) 8.203 28.710 ( -6.140 -1.733 -0.155) 6.381 28.933 ( -5.901 5.571 -3.365) 8.785 29.062 ( -5.789 8.283 5.991) 11.748 29.363 ( -1.089 -2.866 -4.013) 5.050 29.746 ( 4.518 -4.302 -1.534) 6.424 29.987 ( -1.347 2.558 -0.590) 2.951 30.027 ( 0.593 1.085 -7.843) 7.940 30.197 ( -4.762 -1.464 5.987) 7.789 30.335 ( -3.269 0.184 -2.545) 4.147 30.447 ( 0.780 -1.690 9.143) 9.331 31.012 ( 1.389 -9.296 2.837) 9.818 31.422 ( 9.057 4.229 -4.935) 11.148 31.606 ( 5.360 -1.031 -7.230) 9.059 ======================= Grid point 57 (28/63) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 17.713 0.163 11.822) 21.296 1.743 ( -5.757 11.432 3.936) 13.391 1.787 ( 3.697 0.879 6.485) 7.516 1.926 ( 6.286 -3.180 10.426) 12.583 1.962 ( 0.997 2.946 7.233) 7.873 2.050 ( 3.863 -0.861 1.761) 4.332 2.248 ( 7.805 1.960 5.379) 9.679 2.327 ( 0.209 -3.116 -6.033) 6.794 2.453 ( 8.589 1.785 -1.862) 8.968 2.556 ( 7.541 2.330 -0.879) 7.942 2.634 ( 0.744 -0.425 1.421) 1.659 2.667 ( -3.486 -2.227 -4.077) 5.808 2.796 ( -0.791 0.197 -3.300) 3.399 2.834 ( 0.450 -3.433 3.220) 4.729 2.936 ( -2.331 3.460 0.157) 4.175 3.076 ( -7.304 0.127 8.416) 11.144 3.137 ( -3.044 6.588 3.976) 8.275 3.146 ( -2.374 -2.561 0.991) 3.630 3.208 ( -4.556 2.923 7.018) 8.863 3.337 ( -4.374 -2.102 -5.800) 7.562 3.454 ( -1.192 -4.250 0.555) 4.448 3.469 ( 2.147 6.266 -0.234) 6.627 3.622 ( 0.445 -0.888 3.283) 3.430 3.755 ( -1.408 -1.184 -6.050) 6.323 3.786 ( -3.692 7.107 -1.419) 8.134 3.822 ( -8.218 4.768 0.051) 9.501 3.986 ( 0.871 3.592 -1.249) 3.901 4.009 ( 9.997 1.340 -4.675) 11.117 4.047 ( -1.609 1.447 -2.087) 3.006 4.088 ( -0.501 4.084 -4.800) 6.322 4.143 ( 0.582 -1.727 0.635) 1.930 4.213 ( 5.316 -0.868 -7.889) 9.552 4.315 ( 3.157 -2.453 -4.122) 5.742 4.402 ( -1.320 1.298 -6.717) 6.968 4.417 ( -5.480 4.077 -0.027) 6.830 4.489 ( -1.750 -2.964 0.348) 3.459 4.521 ( 2.533 4.113 -0.963) 4.925 4.619 ( 0.550 -0.448 -3.675) 3.743 4.699 ( -1.494 -2.679 -1.482) 3.407 4.724 ( -6.676 -6.161 2.297) 9.370 4.854 ( -1.332 -6.378 0.148) 6.517 4.896 ( 1.302 -2.058 -0.100) 2.437 4.925 ( -1.322 -6.378 -0.656) 6.546 5.124 ( -0.051 -2.633 -1.748) 3.161 5.180 ( 0.372 8.096 -1.965) 8.339 5.244 ( 4.011 3.126 4.670) 6.905 5.351 ( 0.879 2.684 -2.612) 3.847 5.388 ( 1.742 0.961 5.345) 5.703 5.439 ( 0.036 -2.432 -0.114) 2.435 5.533 ( -2.658 0.683 3.629) 4.549 5.576 ( 2.755 0.596 -0.029) 2.819 5.639 ( -0.641 -2.613 2.984) 4.018 5.697 ( -1.186 -0.085 -0.388) 1.251 5.787 ( -1.006 -0.700 -2.175) 2.496 5.886 ( 1.433 -5.924 -2.116) 6.452 6.033 ( 1.774 -2.478 5.868) 6.612 6.061 ( -1.056 -1.228 -1.754) 2.387 6.119 ( 3.349 -1.890 -1.330) 4.069 6.294 ( 0.154 -2.980 -0.459) 3.019 6.335 ( -1.626 -2.043 0.671) 2.696 6.445 ( -1.728 -1.660 2.864) 3.735 6.483 ( -1.551 -4.595 2.416) 5.418 6.494 ( 0.149 1.769 1.008) 2.042 6.587 ( -1.391 1.239 -3.334) 3.819 6.728 ( 0.275 -0.756 2.490) 2.616 6.823 ( -0.735 5.586 -1.125) 5.745 7.057 ( 1.909 -3.387 2.295) 4.515 7.137 ( 0.815 -0.018 -0.547) 0.982 7.316 ( -1.146 2.022 3.301) 4.037 7.384 ( 0.553 3.372 -2.259) 4.096 7.503 ( 2.240 0.421 0.741) 2.396 7.526 ( -0.963 2.636 -5.928) 6.558 7.766 ( -0.229 0.084 -3.369) 3.378 7.809 ( -1.230 -3.352 -1.159) 3.754 7.866 ( 0.812 -4.843 -2.967) 5.737 8.000 ( 1.020 0.344 -0.164) 1.089 8.123 ( -4.401 3.256 -1.921) 5.802 8.273 ( 1.666 5.277 1.531) 5.742 8.329 ( 3.934 0.994 -3.696) 5.489 8.476 ( 0.045 5.544 -2.244) 5.981 8.511 ( -2.046 1.228 1.903) 3.052 8.536 ( 2.565 -1.695 0.501) 3.115 8.774 ( -0.278 -5.402 7.600) 9.328 8.913 ( -1.014 -0.207 0.534) 1.165 8.973 ( 0.534 1.821 0.828) 2.070 9.014 ( 3.167 3.565 0.296) 4.778 9.175 ( -3.168 5.965 0.141) 6.756 9.205 ( -3.688 -1.181 8.438) 9.285 9.353 ( 2.739 -4.662 -0.716) 5.455 9.435 ( -1.667 3.565 0.453) 3.962 9.483 ( 1.705 -0.557 -0.973) 2.041 9.631 ( -2.817 -2.150 -0.670) 3.606 9.761 ( -0.228 -2.604 3.288) 4.200 9.862 ( 2.114 -8.221 -3.117) 9.043 10.001 ( 1.062 3.163 1.024) 3.491 10.049 ( 0.816 2.167 1.208) 2.611 10.218 ( 0.779 6.583 -0.917) 6.692 10.348 ( 0.516 -2.272 4.274) 4.868 10.374 ( 0.651 -0.450 -3.424) 3.514 10.488 ( 0.106 -0.279 2.891) 2.907 10.649 ( -1.483 -5.254 -0.550) 5.487 10.779 ( 3.382 -6.133 -3.672) 7.908 10.944 ( 2.822 -1.432 2.445) 3.999 10.999 ( -2.318 -7.976 5.230) 9.816 11.109 ( -0.160 0.229 3.864) 3.874 11.191 ( 1.885 1.725 3.576) 4.395 11.345 ( 0.324 4.846 -1.497) 5.083 11.410 ( -4.659 4.531 -1.991) 6.797 11.996 ( 0.005 -0.186 -1.586) 1.597 12.093 ( -0.200 1.222 -2.220) 2.542 12.123 ( -0.689 -2.120 0.547) 2.295 12.268 ( -2.376 0.970 -4.049) 4.793 12.357 ( 2.655 -4.638 -5.347) 7.559 12.445 ( -1.571 -6.003 -4.450) 7.636 12.511 ( 0.264 -3.008 -2.741) 4.078 12.557 ( -3.874 3.714 -3.061) 6.178 12.599 ( 0.826 2.299 -3.527) 4.291 12.623 ( -0.305 -0.227 -5.083) 5.097 12.772 ( -3.698 -3.042 4.211) 6.377 12.879 ( 0.193 -4.218 -1.182) 4.385 12.925 ( -1.088 -4.661 0.904) 4.871 13.016 ( 1.135 -0.590 2.607) 2.904 13.058 ( 2.000 -1.197 0.390) 2.363 13.142 ( 1.645 0.556 4.028) 4.386 13.207 ( -2.284 1.989 2.015) 3.638 13.271 ( 1.251 0.373 1.218) 1.785 13.489 ( -2.682 -4.349 1.708) 5.387 13.604 ( -2.555 -4.616 4.769) 7.112 13.736 ( 2.231 5.555 -2.499) 6.487 13.798 ( -0.910 2.419 -1.908) 3.213 13.916 ( 4.808 0.632 1.978) 5.237 13.978 ( 1.590 5.820 2.443) 6.509 14.048 ( 1.269 0.101 5.710) 5.850 14.071 ( 2.550 5.070 -0.135) 5.677 14.179 ( -2.402 -0.349 -9.050) 9.370 14.431 ( 1.060 -1.608 -4.412) 4.813 14.627 ( -3.288 0.541 -2.655) 4.261 14.721 ( 0.993 7.919 -8.086) 11.362 14.864 ( 0.367 -1.010 6.934) 7.017 15.040 ( 2.795 -0.296 -1.346) 3.116 15.133 ( 0.890 3.148 4.014) 5.178 15.358 ( -0.260 4.022 1.240) 4.217 15.433 ( 1.341 -0.025 0.807) 1.565 15.479 ( -1.544 1.548 0.151) 2.191 15.511 ( -2.344 2.681 -0.612) 3.613 15.590 ( -1.516 2.597 1.446) 3.337 15.863 ( 0.965 3.405 -0.731) 3.614 15.927 ( -1.595 4.236 2.381) 5.114 16.135 ( -0.075 -0.529 6.515) 6.537 16.201 ( -0.051 -2.093 2.142) 2.995 16.417 ( -1.939 3.317 -1.680) 4.194 16.508 ( 0.133 3.853 -2.553) 4.624 16.751 ( -1.179 -10.187 -0.752) 10.283 16.983 ( 2.886 -2.621 -5.503) 6.745 17.010 ( 0.958 -3.704 3.505) 5.189 17.136 ( -0.161 -3.983 0.808) 4.067 19.275 ( -0.119 -0.545 1.897) 1.977 19.409 ( -0.254 1.743 -2.060) 2.710 19.515 ( -2.535 -5.219 2.631) 6.371 19.664 ( 2.151 -4.399 0.319) 4.907 21.066 ( -1.052 2.573 0.930) 2.931 21.141 ( 3.149 3.960 -0.197) 5.063 21.217 ( -2.119 1.093 2.628) 3.549 21.269 ( 0.278 0.902 1.283) 1.593 25.044 ( -0.902 0.399 -0.298) 1.030 25.072 ( -0.663 -0.321 -1.897) 2.034 25.487 ( 0.384 0.426 -1.158) 1.292 25.620 ( -2.599 -3.307 -4.705) 6.311 25.997 ( 0.185 2.421 2.975) 3.840 26.060 ( 0.703 1.334 2.587) 2.994 26.218 ( -0.209 0.914 -1.625) 1.876 26.223 ( -0.966 0.821 -1.127) 1.697 26.717 ( 2.846 1.329 -1.532) 3.495 26.883 ( 3.135 -2.200 -8.619) 9.431 27.146 ( 0.922 -2.420 -0.776) 2.703 27.245 ( -1.406 -4.435 -6.105) 7.675 27.398 ( -3.270 -1.022 2.434) 4.203 27.433 ( 1.401 -1.699 0.715) 2.315 27.505 ( -2.675 1.208 3.350) 4.454 27.560 ( -2.978 -1.098 3.744) 4.909 27.617 ( -0.997 5.536 1.438) 5.806 27.778 ( -5.153 5.588 -1.204) 7.697 27.924 ( 6.241 0.267 3.443) 7.133 28.039 ( -2.937 -0.519 -5.105) 5.913 28.105 ( 0.122 5.155 1.279) 5.312 28.267 ( 4.641 0.576 5.133) 6.944 28.413 ( 0.918 1.056 -0.169) 1.410 28.426 ( 0.273 -3.224 -1.049) 3.401 28.566 ( -1.505 -1.462 1.392) 2.518 28.606 ( -0.343 -1.069 2.468) 2.711 28.641 ( -1.768 -1.520 3.558) 4.254 28.724 ( 2.746 -2.854 5.190) 6.529 28.841 ( 0.851 5.359 -3.829) 6.641 29.071 ( -1.335 6.273 7.386) 9.782 29.309 ( 1.110 -3.235 -6.127) 7.016 29.799 ( 3.542 -5.259 -3.209) 7.106 29.920 ( -1.468 2.880 -6.470) 7.232 29.977 ( -0.234 3.658 -1.540) 3.976 30.172 ( -4.980 -1.669 4.882) 7.171 30.321 ( 4.389 -0.031 -0.239) 4.396 30.568 ( -0.741 -3.670 12.797) 13.333 31.010 ( -3.537 -8.744 0.300) 9.437 31.443 ( 0.845 4.394 -7.791) 8.985 31.620 ( 4.944 -1.165 -7.296) 8.890 ======================= Grid point 58 (29/63) ======================= q-point: (-0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -21.043 9.264 4.677) 23.463 1.808 ( -13.870 9.495 3.695) 17.210 2.005 ( 4.489 -7.008 3.567) 9.055 2.055 ( 5.367 -1.061 -3.911) 6.725 2.173 ( 7.547 -0.637 6.805) 10.182 2.203 ( 9.120 -3.625 0.513) 9.827 2.330 ( 2.054 -1.739 1.104) 2.909 2.405 ( -0.086 1.933 -2.956) 3.533 2.534 ( 1.261 -5.731 -1.323) 6.016 2.609 ( 6.834 1.477 5.040) 8.619 2.659 ( -0.079 0.620 1.193) 1.347 2.707 ( -0.167 2.520 -4.308) 4.994 2.747 ( 7.357 -0.557 -1.824) 7.600 2.836 ( -9.528 1.517 2.989) 10.100 2.874 ( -2.607 3.066 -4.659) 6.157 3.003 ( -10.265 2.022 6.407) 12.269 3.043 ( -4.029 -1.966 -3.822) 5.891 3.092 ( -1.363 -1.868 1.198) 2.604 3.148 ( -9.654 5.440 0.496) 11.092 3.222 ( -2.385 5.430 8.206) 10.125 3.396 ( -8.282 2.823 0.532) 8.767 3.470 ( -3.722 2.866 -3.408) 5.803 3.541 ( -1.788 8.427 -2.372) 8.935 3.631 ( -7.186 -0.078 2.924) 7.758 3.781 ( 2.888 0.286 5.880) 6.557 3.830 ( 4.616 1.710 1.531) 5.155 3.936 ( -2.704 1.721 -2.507) 4.069 4.008 ( 2.468 3.412 -3.298) 5.349 4.064 ( -0.886 2.755 0.001) 2.894 4.080 ( -1.697 -1.861 -9.420) 9.751 4.149 ( 1.256 -0.666 -6.324) 6.482 4.206 ( 3.705 2.230 -2.173) 4.839 4.248 ( 0.555 -2.163 -9.454) 9.714 4.354 ( 1.968 -2.721 -0.072) 3.359 4.418 ( 5.484 -1.457 2.444) 6.178 4.478 ( -3.240 -7.534 -0.620) 8.225 4.549 ( 0.804 0.332 -0.330) 0.931 4.570 ( -1.186 -3.297 -3.528) 4.972 4.657 ( 3.121 4.342 1.880) 5.669 4.688 ( -0.111 2.693 -1.398) 3.036 4.848 ( 1.521 -7.970 -0.672) 8.142 4.941 ( -0.161 -2.677 3.597) 4.486 4.965 ( 5.775 -2.350 0.408) 6.249 5.111 ( -0.030 -3.687 -2.338) 4.366 5.192 ( 2.145 5.399 0.804) 5.865 5.304 ( 2.560 3.036 -1.948) 4.423 5.405 ( 0.136 0.602 4.606) 4.647 5.433 ( 0.209 3.290 2.593) 4.194 5.471 ( -1.032 0.636 6.270) 6.386 5.533 ( 4.045 -2.282 0.743) 4.703 5.606 ( 0.836 2.601 -0.002) 2.732 5.650 ( -0.295 -1.642 -4.133) 4.457 5.703 ( 4.285 -2.844 2.222) 5.602 5.784 ( 2.664 0.476 -1.200) 2.960 5.936 ( 4.276 -6.967 -0.434) 8.186 6.018 ( -0.216 -6.855 -3.352) 7.634 6.134 ( 1.343 0.540 4.445) 4.674 6.175 ( -0.550 -2.651 2.501) 3.686 6.229 ( -3.254 1.769 1.481) 3.989 6.303 ( -0.257 -0.058 -4.507) 4.514 6.406 ( -2.706 -1.412 -0.055) 3.053 6.473 ( 0.102 -1.585 0.327) 1.622 6.535 ( 1.039 0.100 1.122) 1.533 6.594 ( 1.303 -0.986 2.914) 3.341 6.769 ( 1.291 0.082 2.603) 2.907 6.826 ( 1.796 2.502 0.166) 3.084 7.060 ( -0.939 -1.801 -2.234) 3.019 7.206 ( 4.589 0.975 1.083) 4.815 7.315 ( -1.223 0.926 -0.108) 1.538 7.376 ( -0.586 1.135 0.314) 1.316 7.467 ( 0.061 1.499 -2.880) 3.248 7.530 ( 1.274 3.648 -0.212) 3.870 7.702 ( -1.903 1.802 -6.555) 7.060 7.771 ( 0.849 -0.150 -1.890) 2.077 7.874 ( 0.980 -4.651 -0.929) 4.843 8.012 ( -1.514 -2.675 -6.837) 7.497 8.072 ( 3.361 1.555 4.038) 5.479 8.330 ( 2.539 5.484 2.261) 6.453 8.354 ( 2.116 -2.564 -1.214) 3.539 8.474 ( 1.752 5.455 -1.503) 5.923 8.561 ( 5.963 3.456 -0.815) 6.940 8.609 ( 3.429 -0.479 1.874) 3.937 8.836 ( 0.513 -5.346 4.475) 6.991 8.889 ( -0.387 -2.171 -2.381) 3.245 9.001 ( 2.140 0.114 -0.013) 2.143 9.065 ( -1.831 2.801 3.705) 4.992 9.132 ( 1.359 6.361 -1.194) 6.614 9.204 ( -5.331 -0.195 6.764) 8.614 9.374 ( -0.638 -0.423 1.069) 1.315 9.431 ( -0.980 5.870 3.421) 6.864 9.504 ( 2.861 -4.395 -2.884) 5.985 9.582 ( -2.291 -2.000 0.374) 3.064 9.754 ( -2.110 -1.008 0.346) 2.364 9.867 ( 1.928 -7.240 -3.351) 8.208 10.021 ( -1.513 -2.242 4.828) 5.534 10.089 ( 0.917 1.850 0.224) 2.077 10.210 ( -0.453 0.978 -1.431) 1.792 10.332 ( -0.211 2.924 -3.362) 4.460 10.393 ( -0.632 -2.413 3.462) 4.267 10.505 ( -1.222 0.782 1.562) 2.132 10.622 ( -1.337 -4.216 0.029) 4.423 10.798 ( 3.003 -4.395 -3.532) 6.388 10.956 ( -4.918 -6.136 3.332) 8.540 11.090 ( 1.471 -7.023 5.775) 9.211 11.116 ( 0.486 4.342 2.591) 5.080 11.274 ( 0.195 2.598 -2.507) 3.616 11.294 ( -1.250 3.901 0.709) 4.157 11.334 ( 0.781 0.974 1.717) 2.123 11.995 ( 1.441 -0.952 -0.870) 1.934 12.098 ( -4.062 -1.698 1.503) 4.653 12.099 ( 3.469 0.904 -2.981) 4.662 12.175 ( -2.499 0.685 -2.954) 3.930 12.340 ( -2.436 -4.624 -4.896) 7.161 12.358 ( 0.508 -2.996 -6.063) 6.782 12.430 ( -1.169 1.018 -3.893) 4.190 12.505 ( -0.982 3.330 -1.616) 3.830 12.582 ( 0.496 0.927 -0.536) 1.180 12.616 ( 2.555 3.233 -2.482) 4.810 12.770 ( 0.555 -3.523 0.095) 3.568 12.882 ( -0.324 -1.284 3.241) 3.501 12.906 ( 0.373 -6.133 -1.382) 6.298 13.039 ( -2.103 2.979 3.356) 4.956 13.124 ( 5.465 -4.868 -1.856) 7.550 13.166 ( -2.112 2.604 4.203) 5.376 13.248 ( 1.708 -2.480 1.405) 3.322 13.341 ( 4.000 -0.277 5.076) 6.469 13.425 ( -4.320 -3.555 -0.022) 5.595 13.567 ( -6.363 -1.854 3.371) 7.436 13.727 ( -0.283 2.262 -3.416) 4.107 13.779 ( -2.545 3.952 1.365) 4.895 13.860 ( -6.646 0.552 -2.682) 7.188 13.964 ( -3.803 3.715 -0.015) 5.317 14.087 ( 4.741 -6.437 -10.067) 12.855 14.195 ( 8.792 -1.293 4.614) 10.013 14.268 ( 8.361 3.485 5.377) 10.535 14.435 ( 4.868 3.241 -3.605) 6.870 14.571 ( 0.812 3.758 -2.473) 4.571 14.637 ( -0.550 6.200 -7.438) 9.699 14.898 ( -3.293 -0.071 4.056) 5.225 15.047 ( -0.205 -1.597 -1.928) 2.512 15.187 ( 0.766 2.795 2.827) 4.049 15.358 ( -1.516 3.122 2.285) 4.155 15.431 ( -1.130 2.200 -0.598) 2.545 15.472 ( 0.315 2.928 2.138) 3.639 15.512 ( 3.105 4.097 1.459) 5.343 15.606 ( 0.628 1.646 1.464) 2.291 15.847 ( 0.394 2.793 -3.218) 4.279 15.969 ( 1.719 3.683 5.096) 6.518 16.202 ( -1.041 -1.842 8.240) 8.507 16.233 ( 0.325 -2.759 2.860) 3.987 16.339 ( -3.516 5.321 -2.051) 6.700 16.506 ( 1.581 3.126 -2.159) 4.115 16.690 ( -4.511 -6.877 -1.513) 8.363 16.954 ( 0.041 -2.153 -4.262) 4.775 17.046 ( -1.289 -5.582 3.260) 6.592 17.096 ( -4.427 -4.226 -0.675) 6.157 19.285 ( -1.049 -1.685 2.260) 3.008 19.398 ( 1.533 3.143 -1.146) 3.680 19.513 ( -1.105 -6.137 2.796) 6.833 19.713 ( 3.254 -5.185 -0.005) 6.122 21.038 ( -2.627 4.450 -0.126) 5.169 21.197 ( 3.127 4.398 0.549) 5.425 21.224 ( -1.460 0.634 3.397) 3.752 21.279 ( 0.181 -0.098 -0.281) 0.348 25.023 ( -1.092 0.032 -0.521) 1.211 25.035 ( -1.234 -0.092 -1.529) 1.967 25.473 ( -1.186 -0.275 -0.828) 1.473 25.513 ( -3.305 -0.451 -4.834) 5.873 26.037 ( 0.198 2.530 4.392) 5.073 26.111 ( 1.162 0.437 4.145) 4.327 26.191 ( -0.164 0.911 -2.947) 3.089 26.196 ( -0.367 0.556 -2.359) 2.451 26.741 ( 1.393 -0.052 -1.903) 2.359 26.851 ( 3.081 -3.079 -8.721) 9.748 27.085 ( -4.799 -1.222 -5.026) 7.056 27.200 ( 1.616 -3.823 -0.055) 4.151 27.345 ( -4.893 -0.468 1.612) 5.173 27.437 ( -2.352 -1.858 1.480) 3.343 27.484 ( -5.150 2.483 5.855) 8.183 27.565 ( -0.070 0.846 2.333) 2.482 27.611 ( -0.726 4.605 -0.454) 4.684 27.724 ( -0.845 4.911 3.533) 6.108 27.929 ( -0.998 -0.348 -7.529) 7.603 28.053 ( 4.060 -2.020 3.315) 5.617 28.154 ( 0.669 3.021 5.377) 6.204 28.338 ( 1.091 2.967 -3.381) 4.629 28.385 ( -1.378 -0.023 2.558) 2.906 28.445 ( 0.177 -1.598 1.403) 2.133 28.549 ( -2.650 -0.938 0.386) 2.837 28.593 ( -0.902 1.082 -2.356) 2.745 28.701 ( 3.386 -1.952 1.139) 4.071 28.853 ( 6.932 -2.599 4.628) 8.731 28.906 ( 6.610 0.983 1.548) 6.860 29.131 ( 1.246 1.067 3.307) 3.692 29.317 ( 5.683 1.310 -1.957) 6.152 29.770 ( 3.461 0.933 -13.589) 14.054 29.874 ( -2.317 3.626 3.609) 5.616 29.962 ( -0.311 3.432 -0.842) 3.548 30.131 ( -3.408 -0.769 2.129) 4.092 30.472 ( 10.075 -4.154 3.084) 11.325 30.655 ( -4.260 -6.824 11.662) 14.168 30.914 ( -6.107 -7.674 -0.495) 9.820 31.321 ( -5.168 5.678 -7.692) 10.868 31.617 ( 3.589 -3.217 -8.499) 9.770 ======================= Grid point 59 (30/63) ======================= q-point: (-0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -23.402 14.318 7.788) 28.519 1.366 ( -30.023 9.725 -14.145) 34.584 1.954 ( -15.129 -4.969 -13.212) 20.691 1.968 ( -7.433 4.234 -8.648) 12.164 2.118 ( -5.013 -9.742 -0.736) 10.981 2.157 ( -10.942 5.277 -3.825) 12.736 2.289 ( 0.722 -4.966 -1.537) 5.248 2.385 ( 1.068 0.352 -0.255) 1.153 2.501 ( -3.271 5.073 -7.515) 9.639 2.533 ( -4.514 -5.977 -1.421) 7.624 2.656 ( 0.605 1.098 1.316) 1.817 2.720 ( -0.724 3.526 -3.701) 5.162 2.831 ( 3.784 1.043 2.370) 4.585 2.868 ( 2.359 2.005 6.125) 6.863 2.879 ( -6.621 -4.614 1.696) 8.246 2.922 ( 9.024 0.853 -3.220) 9.620 3.023 ( -0.224 -2.075 1.808) 2.761 3.037 ( -5.140 2.623 4.737) 7.466 3.100 ( -0.363 4.318 -2.527) 5.016 3.215 ( -4.690 0.488 3.141) 5.666 3.297 ( -2.237 10.885 -1.121) 11.169 3.397 ( -0.581 4.198 3.343) 5.398 3.538 ( -4.145 -2.366 1.000) 4.876 3.598 ( 1.227 9.084 6.010) 10.961 3.816 ( -4.336 -2.842 -4.055) 6.582 3.858 ( -2.320 -0.226 -3.143) 3.913 3.891 ( -0.250 -0.832 3.841) 3.938 3.953 ( 2.000 -3.600 -4.295) 5.950 4.016 ( -0.410 3.208 3.978) 5.126 4.085 ( -1.438 -0.662 -2.395) 2.871 4.172 ( 5.319 -0.079 2.122) 5.727 4.227 ( 1.136 4.415 0.796) 4.628 4.260 ( 4.316 -0.499 0.872) 4.431 4.403 ( 2.659 -3.358 -0.237) 4.290 4.452 ( 1.795 -3.436 0.377) 3.895 4.502 ( 1.046 -2.429 -2.248) 3.471 4.562 ( 3.710 -2.113 -4.070) 5.899 4.592 ( 6.045 -1.756 -0.947) 6.366 4.693 ( 3.121 4.075 -2.097) 5.545 4.728 ( 0.640 2.881 4.009) 4.978 4.899 ( 1.628 -3.325 1.607) 4.036 4.978 ( 0.946 -0.743 4.027) 4.203 5.026 ( 0.182 -4.132 -1.042) 4.265 5.090 ( 2.364 -1.046 -2.545) 3.627 5.245 ( 1.929 -0.286 1.428) 2.417 5.357 ( 4.283 4.331 0.084) 6.092 5.443 ( 1.413 1.574 3.081) 3.737 5.464 ( -0.418 -0.799 1.810) 2.022 5.496 ( -0.814 -1.722 -0.275) 1.925 5.608 ( 1.720 1.810 2.559) 3.575 5.661 ( 3.315 -0.412 0.890) 3.457 5.667 ( 4.008 2.734 3.487) 5.975 5.784 ( 3.586 -1.823 0.969) 4.138 5.854 ( 6.337 -1.196 -2.381) 6.874 5.953 ( -3.931 -1.675 -3.929) 5.805 5.993 ( 3.206 -4.951 -0.513) 5.921 6.057 ( -1.195 -5.113 -6.274) 8.181 6.183 ( -1.239 -3.010 1.462) 3.568 6.246 ( 1.130 1.635 -5.631) 5.971 6.313 ( 1.896 -3.166 4.640) 5.928 6.412 ( -1.627 -0.312 5.682) 5.918 6.477 ( -0.363 -0.347 2.654) 2.701 6.551 ( 0.488 1.716 -0.102) 1.786 6.631 ( 0.509 -0.581 1.148) 1.383 6.801 ( -0.579 0.021 1.241) 1.370 6.878 ( 4.675 2.424 -1.775) 5.557 7.021 ( -1.538 -3.809 0.094) 4.109 7.238 ( 0.229 6.167 -0.888) 6.235 7.302 ( 1.900 -4.888 -6.298) 8.195 7.373 ( 0.772 1.747 -0.593) 2.000 7.442 ( -2.820 5.234 0.696) 5.986 7.574 ( 3.920 3.769 -1.101) 5.549 7.624 ( 1.213 2.206 -4.356) 5.031 7.759 ( -1.668 0.364 -0.128) 1.712 7.871 ( -0.630 -0.933 -0.482) 1.225 7.925 ( -1.244 -0.976 -2.954) 3.350 8.189 ( 1.593 -0.147 5.879) 6.092 8.383 ( 3.687 -3.365 -2.146) 5.434 8.412 ( 5.148 2.346 1.259) 5.796 8.492 ( 1.443 2.779 -1.336) 3.404 8.636 ( 5.169 5.024 -4.201) 8.343 8.693 ( 3.851 -0.375 3.689) 5.347 8.839 ( -1.564 -5.395 1.156) 5.735 8.938 ( 7.395 -2.497 -2.075) 8.076 9.026 ( -3.169 2.863 1.880) 4.666 9.055 ( 2.638 -0.251 -1.729) 3.164 9.143 ( -5.210 0.415 4.743) 7.057 9.174 ( 1.422 6.809 -2.372) 7.349 9.384 ( -0.941 1.572 3.280) 3.757 9.421 ( -2.102 0.780 0.763) 2.369 9.515 ( 0.107 -5.819 -1.408) 5.988 9.580 ( 0.413 1.871 1.856) 2.668 9.733 ( -0.459 -5.387 0.432) 5.424 9.855 ( 0.668 -8.493 -3.332) 9.147 9.999 ( -6.642 -1.062 3.241) 7.467 10.083 ( -0.032 1.607 -1.581) 2.254 10.165 ( -1.063 -0.886 -3.684) 3.936 10.321 ( 1.484 0.798 -1.455) 2.226 10.397 ( -0.605 -2.045 -0.714) 2.249 10.474 ( -3.473 0.023 1.657) 3.848 10.606 ( -1.617 -1.186 1.445) 2.471 10.814 ( 2.006 -3.432 -1.851) 4.385 10.891 ( -3.384 -5.385 -0.402) 6.372 11.019 ( -4.922 -0.541 -0.393) 4.968 11.152 ( -2.990 0.702 -4.602) 5.533 11.280 ( 2.398 -5.176 3.796) 6.852 11.324 ( 3.784 3.931 2.256) 5.904 11.469 ( 4.100 -0.318 7.843) 8.856 11.978 ( -6.556 -1.935 0.522) 6.855 12.033 ( 0.643 2.142 0.782) 2.369 12.125 ( 1.477 -1.027 -1.150) 2.135 12.175 ( 3.466 1.462 -0.430) 3.786 12.262 ( 0.611 2.080 -3.471) 4.092 12.344 ( -0.102 -1.895 0.671) 2.013 12.369 ( -0.948 2.882 -3.810) 4.870 12.488 ( 0.046 4.395 0.327) 4.407 12.603 ( 0.172 -0.096 1.119) 1.136 12.659 ( 4.514 3.292 -1.789) 5.867 12.787 ( 2.370 -2.551 0.227) 3.490 12.890 ( 0.317 -1.315 0.045) 1.353 12.968 ( 2.751 -6.895 3.229) 8.095 13.027 ( -0.574 2.722 0.815) 2.899 13.168 ( -1.467 -0.315 4.442) 4.688 13.194 ( -0.415 -0.882 -0.683) 1.190 13.239 ( -0.947 -0.391 1.120) 1.518 13.369 ( -1.319 -4.877 -0.143) 5.055 13.471 ( -7.498 1.851 3.593) 8.518 13.492 ( 6.951 -0.978 2.194) 7.354 13.626 ( -8.893 -1.374 -2.322) 9.293 13.665 ( -4.909 0.183 -2.487) 5.506 13.815 ( -0.158 0.923 -2.616) 2.779 13.897 ( -1.032 7.054 0.496) 7.146 14.070 ( 5.922 -7.210 -11.190) 14.570 14.347 ( 4.818 -6.723 1.743) 8.453 14.416 ( 5.058 5.502 -1.693) 7.663 14.499 ( 4.019 8.440 -3.467) 9.970 14.551 ( 1.196 3.885 -0.239) 4.072 14.684 ( 4.935 -0.501 5.531) 7.430 14.844 ( -4.339 3.742 0.338) 5.740 15.006 ( 0.104 1.698 -4.376) 4.695 15.207 ( 1.241 2.446 -1.843) 3.305 15.360 ( -0.508 4.509 1.559) 4.798 15.431 ( 1.106 0.993 -0.869) 1.722 15.493 ( 0.375 4.600 1.466) 4.843 15.623 ( 2.420 1.442 -0.501) 2.861 15.645 ( 2.102 3.247 10.042) 10.761 15.832 ( 2.410 -0.044 -3.486) 4.238 16.071 ( 2.847 -0.176 5.789) 6.454 16.222 ( -3.658 -1.096 1.756) 4.203 16.264 ( 1.100 -1.802 1.966) 2.884 16.307 ( -0.918 -1.747 3.662) 4.160 16.520 ( 2.935 3.768 -3.228) 5.765 16.588 ( -5.090 -0.468 0.900) 5.191 16.923 ( -1.155 -2.956 1.314) 3.435 16.978 ( -7.180 -3.809 -1.807) 8.326 17.025 ( -4.022 -3.477 1.816) 5.618 19.294 ( -0.079 -1.356 1.615) 2.110 19.440 ( 2.787 1.132 0.883) 3.136 19.520 ( -1.950 -7.566 2.881) 8.328 19.772 ( 3.885 -5.313 -0.819) 6.633 20.985 ( -2.586 5.393 -0.866) 6.044 21.207 ( -3.532 2.911 1.471) 4.808 21.240 ( -0.664 -0.764 1.491) 1.802 21.281 ( 2.710 2.123 -2.390) 4.191 25.000 ( -1.341 -0.440 1.292) 1.914 25.019 ( -0.553 -0.149 1.753) 1.844 25.396 ( -3.608 1.091 -2.344) 4.439 25.462 ( -1.979 -0.473 1.009) 2.271 26.092 ( 0.754 2.972 4.823) 5.716 26.153 ( -0.931 0.102 -3.459) 3.583 26.159 ( 0.982 1.476 -3.282) 3.730 26.180 ( 0.695 0.017 4.160) 4.218 26.709 ( -2.264 -0.896 -3.162) 3.991 26.788 ( 0.316 -5.129 -10.489) 11.680 27.003 ( 0.064 3.184 -1.817) 3.666 27.231 ( -0.465 -3.434 2.349) 4.187 27.282 ( -3.909 -2.166 2.675) 5.208 27.391 ( -5.714 -2.178 4.194) 7.415 27.455 ( -4.473 3.178 4.444) 7.061 27.583 ( 0.513 3.423 -0.130) 3.464 27.605 ( -0.593 -0.800 2.036) 2.266 27.810 ( 5.151 9.490 5.725) 12.222 27.854 ( 0.481 -2.074 -5.635) 6.024 28.140 ( 2.094 -2.647 2.563) 4.238 28.204 ( -0.413 2.079 2.243) 3.086 28.295 ( -0.683 1.827 -2.600) 3.251 28.363 ( -3.846 2.773 -3.838) 6.101 28.435 ( 0.900 1.871 1.255) 2.426 28.534 ( -0.017 2.065 -4.488) 4.940 28.572 ( 2.027 -3.929 1.778) 4.765 28.771 ( 5.228 0.276 -1.349) 5.406 28.958 ( 1.241 -6.191 2.169) 6.676 29.048 ( 5.752 -2.201 3.169) 6.926 29.233 ( 8.839 -1.093 1.122) 8.977 29.437 ( 6.532 5.140 1.994) 8.548 29.697 ( 3.315 6.966 -11.511) 13.857 29.871 ( -2.357 0.737 3.156) 4.007 29.950 ( -0.235 1.755 -0.733) 1.917 30.107 ( -1.241 2.482 0.917) 2.923 30.594 ( -11.997 -9.329 3.976) 15.709 30.670 ( 8.177 -6.391 1.331) 10.463 30.867 ( -0.491 -8.624 3.606) 9.360 31.137 ( -7.695 7.877 -5.329) 12.233 31.559 ( -0.089 -5.960 -10.344) 11.939 ======================= Grid point 60 (31/63) ======================= q-point: (-0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -21.940 17.028 -3.806) 28.032 0.895 ( -19.179 21.500 13.535) 31.832 1.591 ( -35.687 29.973 27.537) 54.132 1.685 ( -4.184 -12.897 -1.998) 13.705 1.981 ( 5.977 -1.264 -15.115) 16.303 2.165 ( 3.038 -10.587 -4.174) 11.779 2.287 ( -1.032 -6.714 2.026) 7.089 2.312 ( -1.120 5.766 -5.078) 7.765 2.424 ( 0.941 -2.784 -1.666) 3.378 2.470 ( 1.039 -2.565 -6.005) 6.612 2.631 ( -0.121 1.389 -3.326) 3.606 2.700 ( 1.227 -1.766 -2.273) 3.129 2.779 ( -1.983 -0.699 -1.090) 2.368 2.864 ( -3.323 6.602 -0.653) 7.420 2.926 ( -3.252 4.273 3.603) 6.466 2.983 ( 2.832 -2.662 3.452) 5.198 3.032 ( -2.915 0.657 1.223) 3.228 3.041 ( 0.187 -1.705 1.473) 2.261 3.127 ( 3.039 1.380 2.289) 4.047 3.201 ( 0.760 -1.455 0.338) 1.676 3.271 ( 0.830 9.700 -0.936) 9.781 3.416 ( -1.874 3.019 0.735) 3.628 3.513 ( 0.458 0.288 1.132) 1.255 3.649 ( -3.253 5.346 4.933) 7.968 3.683 ( -3.518 -3.943 -2.845) 6.001 3.830 ( -0.212 -1.882 -0.317) 1.920 3.922 ( -1.756 -5.479 -0.160) 5.756 3.956 ( 0.626 1.540 4.372) 4.677 4.028 ( -0.225 4.517 0.123) 4.525 4.099 ( 2.096 -0.189 3.116) 3.760 4.241 ( -1.348 1.918 0.243) 2.357 4.282 ( 4.563 -0.315 -0.475) 4.599 4.328 ( 0.911 -2.900 4.056) 5.068 4.411 ( 0.843 4.691 -3.373) 5.839 4.474 ( 1.267 -5.631 -2.001) 6.108 4.516 ( 4.154 -0.973 -7.360) 8.507 4.605 ( 3.518 -3.734 1.830) 5.446 4.654 ( 3.049 3.067 -1.758) 4.668 4.711 ( -0.345 -1.104 -2.847) 3.073 4.780 ( 2.404 4.475 1.760) 5.376 4.924 ( 0.608 2.539 0.682) 2.699 4.988 ( -1.762 -1.907 2.823) 3.835 5.078 ( 3.913 -2.359 1.934) 4.962 5.109 ( 0.969 -3.027 -0.650) 3.244 5.281 ( 1.385 -1.417 -0.056) 1.982 5.358 ( -3.350 -2.595 -8.495) 9.493 5.429 ( 3.583 3.446 0.714) 5.022 5.502 ( 0.875 1.233 0.926) 1.772 5.514 ( -2.051 3.389 -1.233) 4.149 5.614 ( -1.803 -0.470 2.013) 2.743 5.698 ( -1.939 2.093 0.743) 2.949 5.781 ( 2.924 -2.505 1.891) 4.290 5.825 ( 1.155 -3.861 -1.423) 4.274 5.867 ( -0.089 -1.621 0.790) 1.806 5.947 ( 6.120 0.162 -3.730) 7.169 6.023 ( 3.487 -3.533 -5.407) 7.340 6.068 ( 4.384 -4.964 2.867) 7.217 6.142 ( -2.830 -4.894 -2.453) 6.163 6.221 ( 0.856 0.415 -3.018) 3.165 6.329 ( -2.935 -3.875 2.253) 5.358 6.439 ( 2.022 2.447 -0.301) 3.188 6.486 ( -2.013 3.441 2.549) 4.732 6.582 ( 2.377 1.406 -0.234) 2.772 6.662 ( 0.705 1.265 3.693) 3.967 6.768 ( -1.514 0.354 -3.342) 3.686 6.945 ( 5.452 1.638 -1.983) 6.028 6.993 ( -5.672 -7.101 2.692) 9.479 7.172 ( -1.998 0.733 -9.087) 9.333 7.302 ( 4.245 3.733 2.501) 6.182 7.366 ( -1.144 2.627 -0.947) 3.017 7.415 ( 2.088 5.854 -2.669) 6.764 7.589 ( -1.672 4.302 -0.996) 4.722 7.673 ( 3.667 1.003 1.740) 4.181 7.731 ( -0.483 1.768 0.596) 1.928 7.882 ( -0.183 0.945 2.178) 2.381 7.933 ( 3.219 -0.879 5.990) 6.857 8.213 ( -4.086 2.931 6.505) 8.222 8.421 ( 2.467 -3.944 -2.405) 5.237 8.504 ( 3.728 1.699 -1.115) 4.246 8.535 ( 4.449 0.867 2.396) 5.127 8.680 ( 2.134 7.425 -1.020) 7.792 8.786 ( 4.041 -1.238 1.187) 4.390 8.876 ( 7.604 -7.324 -2.682) 10.892 8.956 ( -4.531 1.737 0.546) 4.883 9.005 ( -1.396 0.864 -1.816) 2.448 9.077 ( 0.168 1.364 -1.665) 2.159 9.105 ( 0.343 -1.052 2.621) 2.845 9.196 ( 4.397 1.916 -4.742) 6.744 9.370 ( -1.363 5.234 0.068) 5.409 9.417 ( -1.414 -6.270 -0.919) 6.493 9.479 ( -1.763 -3.970 1.147) 4.492 9.613 ( 0.804 2.419 1.907) 3.183 9.654 ( -9.707 -7.355 -2.991) 12.540 9.836 ( -1.474 -3.440 -1.253) 3.947 9.914 ( -2.012 -3.206 -0.228) 3.792 10.057 ( -0.737 -0.146 0.430) 0.866 10.141 ( 3.003 0.547 -4.216) 5.205 10.330 ( -2.311 -4.497 2.308) 5.558 10.376 ( 1.040 -0.558 -1.513) 1.919 10.436 ( -2.622 0.074 1.850) 3.210 10.588 ( -2.441 1.364 2.662) 3.861 10.812 ( -0.341 -3.815 -1.431) 4.089 10.876 ( 1.606 -4.213 0.917) 4.601 10.967 ( -1.610 -2.432 1.981) 3.526 11.084 ( -0.490 1.730 -2.100) 2.765 11.269 ( -0.333 -5.079 -4.674) 6.911 11.427 ( 2.951 1.966 0.355) 3.564 11.530 ( -2.743 -1.673 -0.002) 3.213 11.933 ( -3.751 -2.531 9.464) 10.490 12.047 ( -1.204 0.979 0.722) 1.712 12.169 ( 2.484 -2.152 2.193) 3.951 12.211 ( 1.131 1.774 2.206) 3.049 12.289 ( 3.558 0.190 -2.919) 4.606 12.361 ( 3.001 5.683 2.443) 6.875 12.377 ( 0.090 2.468 3.815) 4.545 12.509 ( 0.417 3.208 0.669) 3.303 12.593 ( -0.841 1.029 0.604) 1.460 12.714 ( 4.264 4.269 -2.781) 6.644 12.881 ( 0.024 -1.843 -1.464) 2.353 12.890 ( 5.206 -1.528 3.021) 6.210 12.967 ( 0.883 -5.787 -5.115) 7.774 13.089 ( -3.993 0.523 1.293) 4.230 13.136 ( 4.985 -0.804 3.998) 6.441 13.172 ( -1.769 1.992 1.394) 3.007 13.268 ( -2.154 1.412 0.983) 2.757 13.327 ( -2.426 2.705 1.226) 3.835 13.408 ( -3.285 0.824 0.824) 3.486 13.478 ( -3.835 -2.242 1.705) 4.759 13.564 ( -3.173 -0.704 -0.027) 3.251 13.652 ( 7.520 -2.259 0.079) 7.853 13.771 ( 0.324 3.317 -2.242) 4.017 13.957 ( 4.039 4.988 2.097) 6.752 14.062 ( 4.747 -6.573 -9.404) 12.417 14.379 ( -2.435 -7.903 0.719) 8.300 14.430 ( 0.086 4.440 -0.149) 4.443 14.510 ( -2.030 7.291 -1.559) 7.727 14.606 ( 5.503 5.261 -1.722) 7.805 14.727 ( -1.950 6.592 -1.573) 7.052 14.841 ( 1.109 -0.924 3.146) 3.461 15.002 ( 5.252 0.154 -5.441) 7.563 15.200 ( 2.504 3.895 -5.983) 7.566 15.368 ( 0.792 5.562 -0.518) 5.642 15.427 ( 0.468 1.454 -3.299) 3.635 15.523 ( 0.347 3.801 2.584) 4.610 15.640 ( 1.039 1.482 -0.469) 1.870 15.689 ( -4.300 6.666 0.214) 7.936 15.931 ( 6.258 -5.376 5.858) 10.118 16.138 ( 0.420 -3.495 0.521) 3.559 16.170 ( -2.966 -4.971 -0.353) 5.799 16.293 ( -1.131 -1.298 1.627) 2.369 16.330 ( 0.045 -7.758 3.040) 8.333 16.467 ( -0.847 -0.860 -5.522) 5.652 16.622 ( 3.272 3.497 1.481) 5.013 16.833 ( -6.578 -2.912 -2.044) 7.478 16.902 ( -4.026 0.589 -0.545) 4.105 17.023 ( 0.470 -3.327 2.575) 4.233 19.298 ( -2.240 -2.110 -0.187) 3.083 19.420 ( -7.142 -0.871 -2.825) 7.729 19.523 ( 1.411 -5.492 1.567) 5.883 19.812 ( 2.993 -6.096 -5.003) 8.436 20.953 ( -0.644 5.728 1.101) 5.868 21.148 ( -3.122 3.573 -0.947) 4.838 21.224 ( 0.370 -2.394 1.569) 2.887 21.320 ( 0.760 0.575 2.995) 3.143 25.001 ( -1.080 -0.384 2.382) 2.644 25.082 ( 1.938 -5.209 8.230) 9.931 25.348 ( -1.297 1.670 1.811) 2.784 25.448 ( -2.589 -2.033 4.568) 5.630 26.097 ( 0.061 1.569 -4.727) 4.981 26.119 ( 0.248 0.644 -1.965) 2.082 26.199 ( 4.249 4.430 2.996) 6.830 26.239 ( 1.017 0.029 4.875) 4.980 26.565 ( -8.725 -1.845 -8.086) 12.038 26.699 ( 0.488 -1.014 -3.909) 4.068 27.015 ( 1.395 4.360 0.289) 4.587 27.207 ( -2.508 0.085 0.171) 2.515 27.256 ( -6.163 -1.674 3.270) 7.175 27.356 ( -2.487 -7.000 5.216) 9.077 27.425 ( -1.833 1.902 1.769) 3.179 27.576 ( -0.683 0.017 -1.345) 1.509 27.607 ( -0.844 1.570 0.503) 1.852 27.832 ( 1.839 -2.699 -2.319) 4.005 28.056 ( -4.436 7.653 -11.008) 14.122 28.075 ( 12.346 4.346 13.778) 19.004 28.227 ( 1.705 0.950 -0.111) 1.955 28.256 ( -1.889 2.018 -0.127) 2.766 28.329 ( 2.513 4.494 -0.462) 5.170 28.440 ( -1.633 3.925 0.916) 4.349 28.524 ( 4.190 0.143 -3.281) 5.324 28.631 ( 1.684 -6.255 1.688) 6.694 28.858 ( 4.999 -0.393 0.896) 5.094 28.980 ( 0.790 -9.632 1.093) 9.726 29.191 ( 4.867 -0.093 7.234) 8.720 29.401 ( 8.860 -0.422 -0.111) 8.871 29.523 ( 1.909 1.806 -2.473) 3.609 29.700 ( 7.389 11.201 -0.231) 13.420 29.828 ( -3.505 -5.118 -8.548) 10.562 29.927 ( -2.492 1.676 1.740) 3.471 30.089 ( -3.291 4.696 3.453) 6.694 30.393 ( -12.085 -8.602 2.595) 15.059 30.751 ( 2.993 -3.881 -2.302) 5.414 30.896 ( -2.222 -5.684 1.700) 6.335 31.009 ( -0.542 4.745 -1.778) 5.096 31.371 ( -9.034 -4.296 -11.726) 15.413 ======================= Grid point 61 (32/63) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 12.636 16.875 22.475) 30.815 1.343 ( 2.943 25.610 10.961) 28.012 1.546 ( 12.471 -15.196 16.319) 25.549 1.762 ( 3.762 -17.567 3.454) 18.294 2.046 ( -2.663 13.621 13.022) 19.031 2.104 ( 3.260 1.500 -0.765) 3.669 2.288 ( 2.097 3.240 -2.841) 4.792 2.307 ( -0.951 3.206 5.857) 6.744 2.399 ( 2.497 -1.789 0.529) 3.117 2.517 ( -1.758 -1.751 0.097) 2.483 2.623 ( 4.054 2.223 3.859) 6.022 2.684 ( -1.123 -3.582 -4.427) 5.804 2.754 ( 0.497 0.927 1.916) 2.185 2.806 ( -2.894 -3.879 -2.588) 5.488 2.922 ( -1.698 2.254 -2.332) 3.661 2.969 ( -1.850 3.767 1.491) 4.454 2.999 ( -1.207 -3.945 -0.913) 4.226 3.052 ( 0.096 -1.910 2.265) 2.964 3.215 ( 0.792 2.887 -5.019) 5.844 3.258 ( 0.969 3.897 2.600) 4.784 3.299 ( -0.081 -1.425 -6.069) 6.234 3.343 ( -2.566 -9.109 5.257) 10.825 3.530 ( -3.110 3.619 3.310) 5.807 3.594 ( -3.183 0.747 5.626) 6.507 3.727 ( 3.581 -3.133 3.549) 5.936 3.737 ( 1.450 -3.833 2.434) 4.767 3.920 ( -0.359 8.319 -3.725) 9.122 4.036 ( -1.817 -1.691 -3.960) 4.674 4.157 ( -1.217 7.991 2.443) 8.444 4.164 ( -1.296 6.358 0.982) 6.563 4.255 ( 3.101 2.340 -1.887) 4.319 4.280 ( -1.666 -3.446 -3.192) 4.984 4.309 ( 3.443 -2.620 -2.427) 4.961 4.352 ( -0.029 -5.527 -1.742) 5.795 4.453 ( -0.994 3.184 -0.589) 3.387 4.532 ( 0.579 -2.150 -2.126) 3.079 4.576 ( 1.710 1.233 -4.196) 4.696 4.630 ( -0.148 -1.916 -3.420) 3.923 4.699 ( -2.091 1.658 -0.917) 2.821 4.797 ( -0.632 -6.607 0.019) 6.637 4.931 ( -0.697 0.862 -0.745) 1.335 4.984 ( -0.485 -4.481 -3.733) 5.852 5.083 ( -0.358 2.591 0.691) 2.706 5.094 ( 2.395 0.372 0.389) 2.454 5.223 ( -0.621 3.023 -2.446) 3.938 5.291 ( 2.791 -3.091 -0.614) 4.210 5.485 ( -3.608 2.904 -3.228) 5.645 5.515 ( -3.077 -0.166 -2.595) 4.028 5.575 ( -0.545 3.376 1.663) 3.802 5.587 ( -1.241 2.836 -1.003) 3.254 5.646 ( -2.158 -1.719 -1.738) 3.261 5.700 ( -0.030 -3.774 -2.875) 4.744 5.720 ( -3.288 1.991 -2.667) 4.679 5.849 ( -2.765 -7.660 -3.707) 8.948 5.933 ( 1.960 2.573 0.147) 3.238 5.999 ( 6.186 -2.511 -3.510) 7.542 6.066 ( 1.836 -0.547 -5.548) 5.869 6.088 ( 2.269 -2.149 -4.173) 5.213 6.190 ( -1.192 0.048 3.141) 3.359 6.243 ( -0.119 -5.107 1.860) 5.437 6.493 ( -2.356 3.025 -2.821) 4.760 6.524 ( -0.793 0.177 -4.454) 4.527 6.621 ( -0.232 0.810 2.926) 3.045 6.642 ( 0.830 -0.957 4.408) 4.586 6.826 ( -2.470 1.270 6.011) 6.622 6.860 ( -2.788 -2.511 6.387) 7.408 7.070 ( 4.194 3.985 -0.444) 5.802 7.143 ( 4.244 -3.115 -0.647) 5.304 7.386 ( 0.303 4.362 -0.024) 4.373 7.439 ( 2.454 -1.188 1.781) 3.256 7.518 ( 2.281 3.352 -3.849) 5.590 7.552 ( -1.373 0.156 -2.626) 2.967 7.743 ( -0.050 1.634 2.414) 2.916 7.775 ( 1.810 -1.588 1.017) 2.614 7.921 ( -1.982 2.504 4.420) 5.453 7.981 ( 0.708 -3.929 3.410) 5.251 8.254 ( -4.968 4.424 4.664) 8.124 8.355 ( -2.204 -5.028 1.074) 5.594 8.602 ( -1.435 3.454 1.064) 3.889 8.665 ( 3.296 -2.533 0.658) 4.209 8.808 ( 2.671 2.796 -1.342) 4.093 8.847 ( 2.261 1.648 -4.948) 5.685 8.881 ( -3.041 1.054 -1.023) 3.377 8.892 ( -1.678 0.110 -1.698) 2.390 8.932 ( 6.276 0.438 -0.280) 6.297 9.052 ( 4.058 -6.901 -1.015) 8.070 9.102 ( -4.209 5.334 0.389) 6.806 9.215 ( -3.517 -7.211 1.260) 8.121 9.309 ( 3.542 7.127 -3.750) 8.798 9.394 ( -1.887 0.840 -3.455) 4.025 9.478 ( -0.285 2.805 1.651) 3.267 9.567 ( -0.228 3.720 0.677) 3.788 9.650 ( -0.885 -6.095 1.113) 6.259 9.680 ( 1.488 -7.793 -1.516) 8.078 9.926 ( -0.611 7.477 0.645) 7.529 10.040 ( 0.751 -4.345 1.566) 4.679 10.160 ( 3.131 0.013 -3.068) 4.384 10.201 ( -0.580 -4.363 -2.213) 4.926 10.367 ( -2.093 0.845 3.976) 4.572 10.407 ( -0.561 -2.830 1.804) 3.402 10.637 ( 0.134 4.165 2.411) 4.814 10.742 ( 0.095 -5.853 2.228) 6.264 10.842 ( -0.387 1.186 -0.151) 1.257 10.913 ( 0.484 -5.002 -0.217) 5.030 11.151 ( 2.696 2.942 1.527) 4.272 11.195 ( 2.906 -1.671 0.615) 3.408 11.418 ( -3.857 0.925 -4.207) 5.782 11.437 ( -3.101 -0.374 -3.872) 4.975 11.940 ( -1.013 1.804 3.608) 4.159 12.005 ( 0.885 -4.474 0.129) 4.563 12.149 ( -2.101 2.249 1.729) 3.530 12.223 ( -0.288 -4.654 -0.880) 4.746 12.425 ( 0.242 2.950 2.020) 3.584 12.455 ( -3.417 0.148 1.888) 3.907 12.511 ( 2.147 5.077 4.775) 7.293 12.561 ( 4.765 1.685 5.068) 7.158 12.648 ( -0.468 3.094 -0.299) 3.143 12.715 ( -0.661 -3.614 -2.706) 4.563 12.840 ( -0.139 -0.341 -0.537) 0.651 12.859 ( -0.425 0.081 1.197) 1.273 12.952 ( 1.904 0.342 -3.891) 4.345 13.019 ( -4.833 -4.379 -1.976) 6.814 13.115 ( 0.662 2.770 2.494) 3.786 13.175 ( 0.675 -1.148 0.354) 1.378 13.274 ( -3.091 0.374 -0.044) 3.113 13.304 ( -4.432 -1.936 4.806) 6.818 13.462 ( 3.370 2.941 -0.246) 4.479 13.515 ( 4.392 -2.821 1.150) 5.346 13.580 ( -3.608 3.273 2.842) 5.640 13.664 ( -4.580 -5.079 -0.011) 6.839 13.870 ( 6.825 4.077 -2.755) 8.414 13.928 ( 3.822 -3.262 -3.167) 5.940 14.142 ( 5.158 2.401 5.352) 7.811 14.215 ( -0.215 -5.713 5.098) 7.660 14.564 ( 0.942 6.137 -1.990) 6.520 14.594 ( -2.098 8.045 0.180) 8.316 14.656 ( -2.303 0.389 -4.505) 5.074 14.776 ( -0.780 -7.079 1.529) 7.284 14.821 ( 0.057 7.459 -7.231) 10.389 14.950 ( 0.416 -6.180 -5.367) 8.196 15.305 ( 2.922 5.623 -5.377) 8.311 15.368 ( -0.941 -0.961 -4.369) 4.571 15.490 ( 2.731 4.096 -0.933) 5.011 15.543 ( 0.106 -0.759 -1.579) 1.756 15.755 ( 2.550 7.896 0.842) 8.340 15.765 ( -4.327 7.802 -0.649) 8.945 15.863 ( -8.411 -0.611 -1.330) 8.538 15.972 ( 0.366 -10.956 -2.856) 11.328 16.101 ( -1.077 -1.617 5.818) 6.134 16.155 ( -0.912 -8.224 2.590) 8.670 16.321 ( -0.458 5.397 0.250) 5.423 16.409 ( 1.768 -3.440 -1.963) 4.338 16.702 ( 2.410 0.975 0.219) 2.609 16.719 ( 0.578 -0.974 -0.894) 1.442 16.898 ( -2.250 2.464 -3.383) 4.752 16.920 ( -2.998 0.411 -4.542) 5.458 19.267 ( -3.100 6.248 0.392) 6.986 19.382 ( -2.510 -4.072 -2.333) 5.322 19.497 ( 2.534 3.902 -0.339) 4.664 19.637 ( 1.739 -9.051 -4.392) 10.209 21.088 ( 0.715 7.019 2.448) 7.468 21.167 ( -1.552 3.114 0.168) 3.484 21.223 ( 3.553 -4.945 1.940) 6.391 21.257 ( -3.280 -4.407 1.188) 5.621 25.020 ( -0.532 0.883 3.254) 3.414 25.049 ( -1.344 -2.752 4.716) 5.623 25.376 ( -0.034 0.836 2.089) 2.250 25.403 ( -0.859 -1.969 1.955) 2.905 26.095 ( -0.197 2.041 -2.786) 3.460 26.113 ( -0.062 0.207 -2.266) 2.276 26.254 ( -1.038 0.768 1.534) 2.005 26.265 ( -1.046 -0.070 0.413) 1.126 26.623 ( 6.682 2.492 4.625) 8.500 26.682 ( 3.881 -3.446 2.056) 5.582 27.118 ( -0.063 2.815 0.403) 2.844 27.147 ( -2.669 -0.767 -1.968) 3.404 27.185 ( -2.106 3.027 0.615) 3.738 27.273 ( -1.730 -5.951 4.836) 7.861 27.449 ( -1.610 3.950 -1.670) 4.580 27.517 ( -0.662 -3.061 -2.141) 3.794 27.684 ( 1.676 6.004 0.691) 6.272 27.788 ( 2.473 -4.744 0.756) 5.403 27.983 ( -4.501 5.104 -4.663) 8.249 28.076 ( -4.049 -5.014 -2.854) 7.049 28.322 ( 1.073 3.144 -0.682) 3.392 28.333 ( -1.523 5.421 0.040) 5.631 28.390 ( -0.383 -4.216 1.603) 4.527 28.444 ( -1.684 -4.707 2.254) 5.484 28.547 ( 1.133 3.228 0.370) 3.441 28.611 ( 1.824 -2.506 1.512) 3.449 28.880 ( 1.892 -0.100 -0.999) 2.142 28.930 ( 1.471 -4.657 -1.091) 5.004 29.327 ( -5.056 6.608 3.084) 8.873 29.449 ( -4.157 -6.061 -0.152) 7.351 29.570 ( 5.955 4.189 -2.595) 7.729 29.625 ( 4.274 -1.405 -3.259) 5.555 29.940 ( 1.268 2.454 3.121) 4.167 29.979 ( 6.996 -1.635 2.708) 7.677 30.149 ( -3.331 3.047 5.357) 7.005 30.212 ( -3.672 -4.049 6.167) 8.241 30.823 ( -0.052 1.703 -0.421) 1.755 30.852 ( -0.483 -0.776 -0.177) 0.931 31.035 ( 1.193 2.020 -4.870) 5.406 31.105 ( 4.003 -4.652 -6.896) 9.231 ======================= Grid point 62 (33/63) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 8.398 21.757 6.917) 24.326 1.655 ( 2.202 16.631 15.720) 22.991 1.834 ( 9.110 -9.931 0.120) 13.477 1.980 ( 4.853 -13.152 10.416) 17.465 2.152 ( 7.571 3.450 -7.515) 11.212 2.226 ( 6.455 -4.074 -5.001) 9.125 2.357 ( 0.220 4.115 0.782) 4.195 2.399 ( 2.006 3.891 2.321) 4.955 2.426 ( 2.474 -0.530 6.636) 7.102 2.437 ( -4.851 -3.433 -0.332) 5.952 2.559 ( -6.564 -1.599 -5.667) 8.818 2.595 ( -0.819 -6.190 1.032) 6.329 2.755 ( -1.246 6.675 2.199) 7.137 2.864 ( 0.100 -0.468 2.895) 2.934 2.934 ( -0.117 1.345 4.300) 4.507 2.942 ( -2.090 -1.330 4.114) 4.802 2.994 ( 2.130 4.287 3.989) 6.231 3.076 ( 1.385 -0.394 0.173) 1.451 3.134 ( 1.193 1.260 -10.087) 10.235 3.229 ( 3.510 -7.393 -8.573) 11.852 3.324 ( 1.660 5.948 3.768) 7.234 3.393 ( -0.199 0.816 6.999) 7.049 3.537 ( -0.169 1.341 4.093) 4.310 3.614 ( 2.381 -6.552 2.647) 7.457 3.853 ( 3.090 4.806 0.784) 5.768 3.871 ( -0.456 2.246 4.370) 4.935 3.910 ( 4.017 -2.065 4.023) 6.049 3.946 ( 4.102 0.283 -3.627) 5.483 4.047 ( -3.206 2.739 -6.781) 7.985 4.130 ( -1.956 -3.939 -7.052) 8.311 4.182 ( -1.153 6.944 2.583) 7.498 4.281 ( -2.015 2.091 -1.976) 3.512 4.365 ( 2.407 3.042 2.798) 4.783 4.405 ( 4.290 -0.755 3.078) 5.333 4.427 ( -1.798 -0.633 -0.584) 1.994 4.474 ( -2.289 3.365 -4.963) 6.418 4.505 ( -1.492 -0.882 -4.912) 5.209 4.604 ( -0.113 -7.422 -3.067) 8.032 4.707 ( -1.388 -2.397 5.107) 5.810 4.769 ( -3.294 -6.691 -0.195) 7.460 4.902 ( -0.378 1.553 -0.802) 1.788 4.929 ( -0.698 -2.004 -2.198) 3.055 5.088 ( -1.869 0.831 3.863) 4.371 5.100 ( -1.394 -1.036 1.002) 2.005 5.255 ( 2.577 5.823 1.984) 6.669 5.315 ( 0.574 0.043 -3.353) 3.402 5.356 ( -4.295 2.408 -6.682) 8.301 5.392 ( -3.779 -1.017 -5.763) 6.966 5.531 ( -2.120 4.330 -2.072) 5.247 5.590 ( 1.243 0.887 -1.465) 2.116 5.603 ( -2.932 0.197 -0.512) 2.983 5.653 ( -1.220 0.647 0.737) 1.565 5.695 ( 0.172 -5.050 -1.979) 5.426 5.769 ( -1.307 -9.139 -2.425) 9.545 5.951 ( 0.399 1.936 -0.797) 2.131 6.010 ( -1.082 -3.758 -4.037) 5.621 6.042 ( 4.197 1.204 -5.820) 7.276 6.069 ( 2.639 -1.565 -4.677) 5.594 6.241 ( -0.505 -0.571 5.511) 5.564 6.265 ( -0.940 -3.066 2.811) 4.264 6.420 ( -2.105 1.924 -2.685) 3.917 6.451 ( -1.754 -1.077 -2.764) 3.446 6.642 ( -2.050 2.157 3.556) 4.637 6.676 ( -2.455 -1.030 4.646) 5.355 6.823 ( -2.917 2.933 3.615) 5.494 6.901 ( -1.661 -5.110 4.972) 7.321 7.127 ( 2.184 5.316 0.542) 5.773 7.219 ( 4.474 -3.676 -1.263) 5.927 7.390 ( -0.013 5.678 -0.186) 5.682 7.456 ( -2.964 -1.164 -0.917) 3.314 7.503 ( 2.731 2.820 -3.681) 5.381 7.517 ( -0.049 0.701 -2.468) 2.566 7.774 ( 0.451 0.274 3.331) 3.373 7.800 ( -0.096 -2.063 1.009) 2.299 7.939 ( -1.255 2.805 4.439) 5.398 7.998 ( -0.001 -1.244 -1.309) 1.805 8.223 ( -3.808 0.785 4.584) 6.011 8.330 ( -1.948 -7.808 -0.538) 8.066 8.550 ( -3.868 4.223 0.574) 5.755 8.623 ( -6.391 -3.111 1.035) 7.183 8.745 ( -7.311 3.394 0.818) 8.102 8.784 ( -3.569 -0.557 -0.436) 3.638 8.839 ( -2.771 5.432 1.376) 6.251 8.914 ( 2.991 1.263 -3.374) 4.683 9.003 ( -1.134 4.884 -0.940) 5.101 9.075 ( 2.585 -2.790 -0.809) 3.889 9.128 ( 4.846 -2.607 -2.585) 6.079 9.180 ( -0.699 -5.665 -0.639) 5.743 9.282 ( -0.912 4.136 -2.833) 5.096 9.341 ( 0.038 0.744 -3.186) 3.272 9.512 ( 1.909 2.486 2.477) 3.995 9.587 ( 2.181 3.154 -0.480) 3.865 9.630 ( -1.888 -7.437 0.654) 7.701 9.698 ( 1.839 -5.889 -1.286) 6.302 9.945 ( 1.064 7.838 1.432) 8.039 10.082 ( 1.441 -6.326 1.542) 6.668 10.188 ( 2.545 -0.861 -3.164) 4.151 10.189 ( 3.149 -0.431 -2.962) 4.344 10.371 ( -0.957 1.551 1.571) 2.406 10.416 ( -0.332 -2.311 1.995) 3.071 10.683 ( 0.275 1.691 4.039) 4.387 10.774 ( 0.903 -6.199 1.980) 6.570 10.815 ( -1.533 1.559 -1.411) 2.602 10.897 ( -1.135 -5.989 -1.308) 6.234 11.195 ( -0.253 4.802 -1.070) 4.926 11.273 ( 0.654 -2.966 -0.080) 3.038 11.338 ( -0.441 1.883 -2.156) 2.896 11.340 ( 0.374 1.116 -0.095) 1.181 11.970 ( 1.198 1.535 1.553) 2.490 12.011 ( 0.385 -2.311 -0.113) 2.345 12.158 ( 0.698 0.362 2.335) 2.464 12.221 ( 0.548 -5.618 1.003) 5.733 12.415 ( -2.507 2.007 1.772) 3.668 12.445 ( -0.481 -1.261 3.401) 3.659 12.569 ( -1.737 4.043 0.010) 4.401 12.613 ( -1.574 6.991 4.730) 8.586 12.645 ( -2.569 -3.315 -3.682) 5.581 12.684 ( 1.676 0.198 4.092) 4.426 12.811 ( -2.149 -0.565 -0.619) 2.306 12.858 ( -5.298 -2.171 5.102) 7.669 12.961 ( 4.607 0.080 -5.211) 6.956 12.975 ( 3.204 -1.263 -2.052) 4.009 13.123 ( -2.972 5.418 -0.988) 6.258 13.146 ( -1.525 3.418 0.795) 3.826 13.247 ( -0.391 -2.508 -0.218) 2.548 13.308 ( -1.983 -6.503 2.683) 7.309 13.456 ( -8.712 1.548 5.302) 10.315 13.475 ( -11.302 -2.941 -0.685) 11.699 13.572 ( 6.860 0.502 -0.214) 6.882 13.615 ( 5.192 -3.008 1.428) 6.168 13.950 ( 2.934 3.446 -1.224) 4.688 13.982 ( 3.797 0.569 -2.845) 4.779 14.279 ( -1.193 -0.051 6.591) 6.698 14.312 ( 3.883 -2.719 6.922) 8.390 14.514 ( -4.653 2.650 -6.008) 8.048 14.526 ( -2.134 1.023 -5.852) 6.312 14.622 ( 5.054 9.741 1.303) 11.051 14.745 ( -0.826 3.923 -4.968) 6.384 14.779 ( 0.220 -2.743 -0.254) 2.763 14.883 ( -0.104 -8.276 -6.549) 10.554 15.265 ( -1.299 6.430 -4.874) 8.172 15.332 ( 0.829 -0.193 -1.864) 2.050 15.504 ( -0.626 4.471 -4.411) 6.311 15.517 ( 0.716 2.993 -0.653) 3.146 15.705 ( -5.047 4.040 0.349) 6.474 15.725 ( -4.342 0.414 2.562) 5.058 15.810 ( 3.278 7.293 0.531) 8.013 15.951 ( 2.181 -7.246 -2.828) 8.078 16.137 ( -3.987 -1.164 3.496) 5.428 16.162 ( -0.615 -6.376 3.790) 7.443 16.335 ( 2.522 5.561 -0.304) 6.114 16.436 ( 2.798 -4.356 -1.065) 5.286 16.716 ( -0.316 3.488 0.661) 3.564 16.781 ( 5.537 -2.553 -1.365) 6.249 16.829 ( 0.693 0.987 -0.979) 1.553 16.873 ( 0.359 -2.370 -2.784) 3.674 19.244 ( -0.027 5.010 0.536) 5.039 19.345 ( 0.452 -4.136 -0.817) 4.240 19.526 ( 0.816 2.362 -0.046) 2.499 19.626 ( 1.026 -6.830 -3.237) 7.627 21.100 ( -1.262 6.004 0.975) 6.213 21.184 ( 2.635 4.441 0.690) 5.210 21.203 ( -3.243 -3.531 -0.500) 4.821 21.295 ( 1.889 -5.858 1.231) 6.277 25.045 ( -0.209 1.198 2.843) 3.092 25.069 ( -0.861 -1.571 3.187) 3.656 25.417 ( 1.818 -0.245 1.663) 2.475 25.434 ( 2.389 -2.083 2.397) 3.973 26.058 ( -1.005 3.007 -1.908) 3.700 26.082 ( -0.424 0.493 -2.205) 2.298 26.258 ( -0.217 0.883 1.772) 1.991 26.268 ( -0.304 -0.125 1.590) 1.624 26.760 ( 3.041 0.865 0.763) 3.253 26.799 ( 6.141 -3.591 1.422) 7.255 27.099 ( 1.037 0.991 -0.838) 1.661 27.119 ( 2.368 -1.048 -1.811) 3.160 27.196 ( 0.154 4.156 3.554) 5.471 27.285 ( -2.119 -5.260 4.874) 7.478 27.415 ( 0.096 4.033 -1.703) 4.378 27.492 ( 0.185 -4.161 -1.865) 4.563 27.734 ( 1.876 8.137 1.200) 8.437 27.838 ( 3.353 3.021 -2.125) 4.989 27.898 ( -3.091 -2.268 0.916) 3.942 27.979 ( -1.512 -5.233 -2.817) 6.132 28.281 ( -3.276 6.891 0.339) 7.637 28.340 ( 1.139 2.953 -0.138) 3.168 28.397 ( -1.219 -4.041 -0.855) 4.306 28.417 ( -1.787 -5.964 3.306) 7.049 28.565 ( -0.602 4.164 0.385) 4.225 28.642 ( 0.338 -3.057 0.368) 3.098 28.841 ( -4.384 -2.034 -3.140) 5.763 28.863 ( -7.170 -4.122 -0.807) 8.310 29.238 ( -7.685 5.091 4.226) 10.141 29.330 ( -8.618 -4.444 2.150) 9.932 29.607 ( 0.364 6.217 -4.269) 7.550 29.680 ( 4.019 -1.264 -4.981) 6.524 29.990 ( 2.508 5.545 0.569) 6.113 30.084 ( 2.267 -4.335 -0.428) 4.911 30.157 ( -2.723 4.934 7.252) 9.184 30.267 ( 0.602 -7.131 6.302) 9.536 30.666 ( -8.574 3.649 -3.083) 9.815 30.774 ( -5.921 -7.856 -0.986) 9.887 31.143 ( 14.190 7.289 -2.918) 16.217 31.278 ( 15.729 -7.499 -4.476) 17.991 ======================= Grid point 63 (34/63) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 7.998 15.958 3.451) 18.181 1.756 ( -3.405 15.173 3.737) 15.993 1.910 ( -2.904 -0.205 -14.667) 14.953 1.986 ( -0.162 -2.290 -6.547) 6.938 2.007 ( -6.207 -2.120 -8.103) 10.425 2.097 ( -5.312 -8.725 -0.119) 10.215 2.255 ( -7.705 1.107 -7.115) 10.545 2.289 ( -0.879 -1.990 -6.634) 6.981 2.352 ( 5.115 2.336 -11.345) 12.662 2.482 ( 1.041 -10.574 -3.364) 11.145 2.620 ( 1.143 0.597 4.701) 4.875 2.656 ( 0.348 -3.520 5.946) 6.918 2.784 ( -2.699 1.555 1.891) 3.644 2.859 ( -2.934 -6.728 2.969) 7.918 2.923 ( 0.440 6.339 -1.376) 6.502 3.011 ( 1.961 -0.836 3.585) 4.171 3.068 ( -0.189 0.368 0.308) 0.515 3.116 ( 3.221 -2.351 3.453) 5.275 3.173 ( 8.127 5.879 4.644) 11.054 3.278 ( 4.576 -3.486 0.582) 5.781 3.387 ( 2.396 8.050 2.799) 8.853 3.456 ( 0.542 1.153 3.160) 3.407 3.640 ( 6.883 4.176 4.236) 9.097 3.707 ( 6.606 -1.293 -3.653) 7.659 3.794 ( -2.279 4.353 -1.970) 5.294 3.835 ( -0.378 6.088 -2.987) 6.792 3.912 ( 1.710 -0.923 -3.634) 4.121 4.047 ( 0.269 -2.293 1.191) 2.597 4.106 ( 5.802 -0.942 0.812) 5.933 4.159 ( 5.808 -4.722 2.333) 7.841 4.210 ( 0.838 2.510 2.922) 3.942 4.288 ( 0.603 5.510 5.052) 7.500 4.358 ( -1.665 -2.622 -3.232) 4.482 4.389 ( 0.017 1.088 -2.741) 2.949 4.408 ( -0.587 2.369 0.922) 2.609 4.465 ( 0.930 1.807 3.794) 4.304 4.535 ( 2.759 -0.708 2.929) 4.086 4.563 ( -1.314 -5.372 -3.576) 6.586 4.675 ( -3.494 -1.232 -0.981) 3.833 4.713 ( -5.315 -7.824 4.597) 10.517 4.885 ( -2.280 1.457 1.623) 3.155 4.918 ( -2.260 -2.962 1.171) 3.905 5.064 ( -4.023 2.493 1.892) 5.097 5.111 ( -1.309 -1.358 0.598) 1.978 5.222 ( -0.159 1.923 -5.911) 6.218 5.234 ( 0.362 0.556 -3.957) 4.012 5.337 ( 2.459 2.330 1.803) 3.837 5.362 ( 0.193 1.025 1.287) 1.657 5.461 ( -2.059 2.506 -3.412) 4.708 5.528 ( -2.653 -4.524 -4.285) 6.773 5.598 ( -1.249 1.787 0.461) 2.229 5.626 ( -2.180 -0.956 0.638) 2.464 5.710 ( 0.858 -1.750 2.617) 3.263 5.748 ( 0.270 -5.558 -2.080) 5.941 5.937 ( -1.008 0.392 1.238) 1.644 5.952 ( -1.285 -1.243 -1.616) 2.410 6.069 ( 1.684 0.281 -1.843) 2.512 6.094 ( 5.011 -2.778 -3.764) 6.855 6.214 ( -3.514 1.271 -1.343) 3.971 6.266 ( -1.129 -3.890 0.070) 4.051 6.388 ( -1.177 1.543 2.197) 2.931 6.424 ( -1.266 -2.412 1.290) 3.014 6.624 ( -3.325 2.128 2.071) 4.458 6.663 ( -2.793 -1.581 2.431) 4.026 6.804 ( -1.989 4.570 1.843) 5.314 6.892 ( -2.533 -4.042 2.911) 5.588 7.130 ( -2.507 4.650 -2.154) 5.705 7.209 ( -2.693 -1.848 -3.723) 4.953 7.388 ( 0.055 2.335 -0.458) 2.380 7.402 ( -0.776 1.180 -1.248) 1.885 7.488 ( 1.463 2.258 -2.977) 4.013 7.544 ( 2.045 -3.445 2.274) 4.607 7.772 ( -2.216 1.313 -1.092) 2.798 7.818 ( -0.019 -2.186 1.670) 2.752 7.956 ( -0.805 2.995 -0.753) 3.192 7.975 ( 0.103 1.661 -0.072) 1.666 8.225 ( -1.352 -3.009 4.324) 5.439 8.270 ( -2.198 -6.481 -1.331) 6.972 8.496 ( -1.423 5.012 -2.312) 5.700 8.529 ( -4.630 3.239 0.204) 5.654 8.629 ( -7.456 1.840 1.085) 7.756 8.709 ( -6.913 -5.326 3.908) 9.562 8.792 ( -3.634 7.528 -0.161) 8.361 8.926 ( 1.097 -3.913 -1.928) 4.498 8.968 ( 0.849 4.578 -2.577) 5.322 9.055 ( -2.519 -2.940 -0.679) 3.931 9.147 ( -3.037 1.442 3.132) 4.595 9.174 ( 2.999 -0.479 -3.907) 4.949 9.302 ( 4.529 1.112 -0.262) 4.671 9.332 ( 0.991 0.124 -0.784) 1.270 9.557 ( 0.506 0.271 0.402) 0.701 9.602 ( -1.127 -2.138 1.477) 2.833 9.640 ( 3.690 -1.922 -0.879) 4.252 9.708 ( 0.587 -5.729 -1.215) 5.886 9.987 ( 2.078 7.233 1.921) 7.767 10.105 ( -0.392 -4.407 1.904) 4.816 10.213 ( 2.412 0.974 -1.058) 2.809 10.226 ( 4.784 -1.193 -3.022) 5.783 10.374 ( 1.431 3.098 -1.056) 3.572 10.433 ( 0.603 -1.905 0.381) 2.034 10.684 ( -2.903 0.062 0.219) 2.912 10.750 ( -2.555 -4.581 -3.955) 6.569 10.806 ( 0.636 -0.614 0.547) 1.039 10.879 ( -1.991 -6.534 3.979) 7.905 11.132 ( -1.233 4.218 -4.210) 6.086 11.192 ( -2.087 -1.907 -3.808) 4.743 11.383 ( 3.241 5.600 1.588) 6.662 11.442 ( 3.626 -0.428 4.241) 5.597 12.002 ( 1.134 0.448 0.721) 1.417 12.028 ( 0.209 -2.495 2.107) 3.272 12.210 ( 3.108 1.553 1.180) 3.669 12.265 ( 2.112 -3.947 2.306) 5.035 12.388 ( -2.765 3.585 0.479) 4.553 12.461 ( -2.466 -0.687 1.863) 3.166 12.501 ( -3.002 -0.161 -1.101) 3.201 12.554 ( -3.616 -2.002 -0.075) 4.134 12.678 ( 0.519 3.491 5.610) 6.627 12.728 ( 0.691 -1.134 0.443) 1.400 12.767 ( -1.394 -0.250 -1.575) 2.118 12.813 ( -3.623 -4.767 4.255) 7.346 12.939 ( -3.938 4.954 -3.531) 7.247 13.013 ( 1.276 -0.481 -1.805) 2.263 13.081 ( 2.803 0.145 -1.408) 3.140 13.112 ( -4.711 -3.536 -2.589) 6.434 13.231 ( -1.930 0.615 1.892) 2.772 13.260 ( -0.173 -4.188 1.118) 4.338 13.366 ( -4.333 2.733 4.438) 6.778 13.437 ( -1.168 -4.419 5.550) 7.190 13.702 ( 7.962 1.549 -2.049) 8.366 13.723 ( 7.523 -1.011 -1.407) 7.720 13.947 ( 0.027 3.434 -3.854) 5.162 13.983 ( 0.604 1.036 -3.977) 4.154 14.274 ( -6.538 4.973 6.373) 10.396 14.322 ( -5.255 6.957 -3.563) 9.419 14.370 ( -6.123 -4.073 3.413) 8.107 14.454 ( -1.925 -4.716 -4.018) 6.487 14.681 ( -0.327 3.500 -3.797) 5.174 14.760 ( 1.856 -1.025 0.736) 2.244 14.792 ( 4.195 3.315 1.428) 5.534 14.887 ( 6.724 -5.090 -2.626) 8.833 15.212 ( 1.202 10.208 -4.242) 11.120 15.339 ( 1.306 -2.386 -0.552) 2.775 15.450 ( -0.126 5.223 -4.049) 6.610 15.516 ( 0.391 -0.548 -1.114) 1.302 15.638 ( -3.517 3.087 0.729) 4.736 15.675 ( -4.267 -1.282 1.689) 4.765 15.885 ( 3.926 8.335 1.724) 9.373 16.003 ( 3.833 -3.610 0.624) 5.302 16.082 ( -5.643 3.263 4.049) 7.674 16.168 ( -3.244 -6.462 4.069) 8.297 16.386 ( 2.940 3.746 -0.064) 4.762 16.475 ( 2.361 -5.753 -0.207) 6.222 16.725 ( 0.178 4.601 1.358) 4.800 16.840 ( 1.495 -6.644 -0.563) 6.833 16.875 ( 5.145 -0.546 -2.712) 5.842 16.897 ( 5.742 -3.024 -1.136) 6.588 19.266 ( 0.851 4.455 1.500) 4.777 19.362 ( 1.052 -4.522 0.385) 4.659 19.527 ( -0.801 1.727 0.582) 1.991 19.602 ( -0.335 -5.111 -2.608) 5.748 21.094 ( 0.415 3.320 -0.124) 3.348 21.143 ( -2.268 -1.463 -1.253) 2.975 21.234 ( 1.749 4.020 1.059) 4.510 21.309 ( -1.083 -3.297 0.735) 3.547 25.066 ( -0.198 1.038 1.752) 2.046 25.083 ( -0.211 -0.792 1.171) 1.429 25.466 ( 2.315 1.017 0.831) 2.661 25.513 ( 3.165 -4.234 2.285) 5.758 26.032 ( -0.579 3.080 -0.446) 3.165 26.062 ( -0.296 0.025 -0.483) 0.567 26.267 ( -0.718 0.771 1.119) 1.537 26.273 ( -0.776 0.252 0.771) 1.122 26.769 ( 1.809 3.954 -4.692) 6.397 26.856 ( 3.193 -5.272 -4.624) 7.705 27.151 ( 0.583 -0.198 0.411) 0.740 27.162 ( 2.732 -1.564 2.481) 4.008 27.264 ( 3.492 2.565 3.694) 5.694 27.323 ( 1.712 -3.632 3.993) 5.662 27.432 ( 2.194 2.421 1.648) 3.659 27.487 ( 0.431 -3.420 0.296) 3.460 27.727 ( -0.070 5.766 -3.339) 6.663 27.811 ( -4.648 -2.620 -2.346) 5.828 27.926 ( 6.067 7.467 4.132) 10.471 28.030 ( 3.072 -3.311 4.655) 6.486 28.246 ( -2.062 7.517 1.836) 8.008 28.329 ( -3.110 3.062 -3.933) 5.875 28.367 ( 0.985 -2.686 0.337) 2.880 28.435 ( -1.368 -4.197 3.730) 5.779 28.522 ( -2.459 0.433 -2.255) 3.365 28.594 ( -6.724 -7.028 -3.276) 10.263 28.688 ( -4.883 1.436 -2.191) 5.541 28.748 ( -5.028 -4.224 -0.458) 6.583 29.144 ( -7.201 3.958 1.971) 8.450 29.213 ( -7.172 -2.528 2.183) 7.912 29.515 ( -4.517 9.309 -3.958) 11.079 29.660 ( 0.352 -4.982 -5.522) 7.445 30.029 ( 1.530 2.690 -0.269) 3.106 30.081 ( 0.405 -1.839 -2.790) 3.366 30.189 ( -3.724 2.639 7.705) 8.955 30.279 ( -4.809 -6.705 3.560) 8.986 30.552 ( -1.106 8.348 -1.777) 8.606 30.739 ( 1.832 -11.448 1.219) 11.657 31.360 ( 12.829 6.401 -2.679) 14.585 31.472 ( 11.345 -5.696 -4.557) 13.488 ======================= Grid point 64 (35/63) ======================= q-point: ( 0.38 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -0.669 7.271 -8.924) 11.531 1.678 ( -0.107 -4.656 -5.377) 7.113 1.843 ( -2.330 11.431 6.036) 13.135 1.933 ( 2.292 7.511 1.900) 8.080 1.985 ( -5.151 1.700 4.572) 7.094 2.038 ( -5.563 -6.329 1.963) 8.652 2.123 ( 3.118 0.340 -2.680) 4.126 2.249 ( 4.507 -9.142 -5.926) 11.790 2.391 ( 7.488 5.179 -6.260) 11.049 2.494 ( 2.784 -3.706 0.642) 4.680 2.650 ( 0.418 1.198 -0.984) 1.606 2.677 ( -1.068 -3.052 -0.197) 3.240 2.743 ( -1.407 0.799 1.947) 2.532 2.796 ( -0.970 -3.035 -2.852) 4.276 2.966 ( -0.514 -0.779 3.880) 3.990 3.015 ( -1.682 -3.905 1.571) 4.533 3.139 ( 3.486 4.342 3.202) 6.423 3.217 ( 3.964 -2.605 2.778) 5.497 3.277 ( -0.561 4.479 2.352) 5.090 3.320 ( -1.193 -2.310 0.983) 2.780 3.457 ( 1.681 4.311 0.542) 4.659 3.504 ( 3.333 1.414 1.528) 3.930 3.722 ( 0.087 5.706 1.466) 5.892 3.745 ( 2.378 4.412 -4.011) 6.420 3.796 ( 4.048 -0.943 -4.707) 6.279 3.841 ( 5.524 0.121 -4.975) 7.435 3.974 ( 5.557 6.924 2.842) 9.322 4.093 ( 1.605 -0.914 1.996) 2.719 4.126 ( -1.463 2.870 -3.018) 4.414 4.201 ( 2.325 1.620 -0.921) 2.980 4.243 ( -3.348 -1.237 -2.924) 4.614 4.280 ( 1.385 -0.376 -4.749) 4.961 4.325 ( -3.311 10.455 2.224) 11.190 4.382 ( 3.071 -8.467 0.120) 9.007 4.446 ( -5.345 -5.610 -2.037) 8.012 4.480 ( 0.725 1.940 2.395) 3.166 4.566 ( 1.206 -4.038 2.434) 4.867 4.585 ( 3.312 1.538 1.747) 4.048 4.645 ( -0.289 -1.447 0.936) 1.747 4.651 ( -5.937 -4.377 1.907) 7.619 4.823 ( -7.815 -2.046 2.817) 8.556 4.854 ( -4.044 -3.834 -1.411) 5.748 4.990 ( -2.296 3.402 -3.760) 5.567 5.064 ( 0.003 -3.912 -3.943) 5.554 5.236 ( 2.886 3.472 1.329) 4.706 5.282 ( 1.358 -1.329 5.756) 6.061 5.356 ( 0.103 4.436 -2.237) 4.970 5.395 ( 1.385 1.780 0.910) 2.432 5.415 ( -0.796 0.031 -2.701) 2.816 5.483 ( 2.396 -4.387 -0.383) 5.014 5.545 ( -3.462 1.510 2.636) 4.606 5.594 ( -2.787 -3.641 1.017) 4.696 5.729 ( -0.238 0.725 0.472) 0.897 5.756 ( 1.089 -2.746 -0.934) 3.098 5.918 ( -2.207 0.780 -2.484) 3.413 5.947 ( -0.974 -1.604 2.034) 2.768 6.061 ( 0.135 0.270 -1.067) 1.109 6.096 ( -2.087 -2.493 0.434) 3.280 6.195 ( 4.284 1.400 -1.751) 4.835 6.263 ( 1.020 -5.286 -0.314) 5.392 6.399 ( -1.002 -0.002 3.510) 3.650 6.417 ( -1.984 -2.138 3.238) 4.358 6.571 ( -3.720 2.780 0.407) 4.662 6.629 ( -2.905 -3.385 0.252) 4.468 6.793 ( -0.940 7.511 0.354) 7.578 6.915 ( 1.653 -3.584 3.008) 4.962 7.014 ( -4.796 4.158 -4.737) 7.920 7.116 ( -2.975 -4.914 -2.519) 6.272 7.380 ( -1.403 3.083 1.305) 3.630 7.401 ( 0.768 0.104 0.229) 0.808 7.495 ( 1.185 3.017 -1.114) 3.428 7.602 ( 0.115 -8.035 4.044) 8.996 7.708 ( -1.156 6.710 -4.250) 8.027 7.817 ( 0.216 -3.608 -1.770) 4.025 7.908 ( -0.340 2.968 -5.294) 6.079 7.972 ( -0.236 -2.532 -1.899) 3.174 8.235 ( -0.108 1.550 1.489) 2.152 8.285 ( 2.537 -3.583 -0.008) 4.391 8.442 ( -5.592 6.482 1.155) 8.639 8.485 ( 0.664 6.864 0.872) 6.951 8.522 ( -3.786 -3.107 -1.621) 5.159 8.640 ( -5.085 -7.533 4.723) 10.242 8.719 ( -3.589 10.055 -0.985) 10.721 8.892 ( -1.655 -6.467 -1.637) 6.874 9.006 ( 4.308 3.181 -2.050) 5.734 9.027 ( -0.046 1.565 0.285) 1.591 9.145 ( -3.368 -0.819 7.484) 8.248 9.178 ( 0.687 -3.658 -0.572) 3.766 9.340 ( -0.277 4.592 0.330) 4.612 9.394 ( 4.569 -0.794 0.771) 4.701 9.547 ( -0.281 2.096 -0.926) 2.308 9.616 ( 0.177 -5.242 2.800) 5.946 9.678 ( -0.029 0.134 -0.296) 0.326 9.712 ( 2.568 -4.362 -1.355) 5.240 10.050 ( 2.475 5.737 1.647) 6.461 10.110 ( -1.461 0.233 1.515) 2.118 10.252 ( 2.109 -0.113 0.366) 2.144 10.271 ( 1.794 -3.052 0.272) 3.550 10.397 ( 3.775 4.963 -3.896) 7.352 10.447 ( 1.012 -0.873 0.373) 1.388 10.616 ( -3.263 -1.953 -1.213) 3.992 10.664 ( -0.554 -5.772 -5.158) 7.761 10.826 ( -0.004 -0.947 2.533) 2.704 10.887 ( -2.868 -6.357 5.136) 8.661 11.109 ( 1.672 3.778 -1.103) 4.276 11.161 ( 0.928 -1.475 -0.608) 1.846 11.439 ( 1.875 6.278 0.153) 6.554 11.508 ( 0.303 -0.413 1.545) 1.628 12.017 ( -0.095 0.697 -0.113) 0.712 12.048 ( -0.245 -2.625 1.183) 2.890 12.258 ( -0.411 6.938 -1.286) 7.068 12.295 ( 0.201 0.750 -0.604) 0.983 12.342 ( -1.449 -3.291 -1.067) 3.750 12.413 ( -1.241 -6.364 -2.698) 7.023 12.436 ( -2.482 1.031 -0.003) 2.687 12.530 ( -1.835 -6.437 2.079) 7.009 12.683 ( -2.777 0.713 -3.057) 4.191 12.688 ( -1.650 1.106 -1.557) 2.524 12.779 ( 0.923 1.570 0.901) 2.032 12.835 ( 1.474 -3.513 0.511) 3.844 12.848 ( -2.793 1.726 0.394) 3.307 12.945 ( -2.614 -6.841 0.152) 7.325 13.085 ( 1.863 4.434 -1.043) 4.921 13.133 ( 1.845 0.669 0.124) 1.967 13.222 ( -0.971 0.494 2.072) 2.340 13.258 ( -2.896 -3.086 2.520) 4.926 13.400 ( 1.108 2.337 5.783) 6.335 13.482 ( -0.187 -5.578 4.564) 7.209 13.802 ( 6.578 2.112 -3.089) 7.568 13.817 ( 5.585 0.301 -5.652) 7.951 13.901 ( 0.641 3.595 -2.976) 4.710 13.955 ( 1.251 -0.793 -1.548) 2.143 14.177 ( -4.826 8.871 -4.080) 10.891 14.205 ( -6.300 3.615 1.199) 7.362 14.326 ( -5.925 -0.990 4.720) 7.639 14.388 ( -1.172 -4.412 -1.522) 4.812 14.653 ( -1.341 0.931 1.060) 1.946 14.747 ( -0.199 -6.199 -0.064) 6.203 14.889 ( 3.637 6.940 -1.381) 7.956 14.976 ( 3.817 -2.676 -0.944) 4.756 15.224 ( 4.252 10.480 -3.371) 11.801 15.364 ( 2.433 -3.804 -1.198) 4.672 15.429 ( 1.058 4.859 -1.528) 5.203 15.507 ( -0.175 -2.400 -1.312) 2.741 15.594 ( -1.931 2.349 0.064) 3.041 15.622 ( -2.483 -1.616 -0.470) 3.000 15.963 ( 2.097 9.224 2.611) 9.813 16.036 ( -4.623 5.130 5.176) 8.630 16.069 ( 0.806 -1.548 3.591) 3.992 16.147 ( -3.439 -5.425 4.078) 7.609 16.427 ( 1.674 2.062 0.715) 2.750 16.514 ( 1.327 -7.423 1.637) 7.717 16.720 ( -0.502 6.339 -2.857) 6.971 16.852 ( 0.928 -6.881 -0.894) 7.001 16.940 ( 5.010 -0.139 -2.307) 5.517 16.993 ( 4.622 -5.376 0.614) 7.116 19.288 ( -0.066 3.643 1.402) 3.904 19.375 ( -0.126 -5.038 0.502) 5.065 19.513 ( -1.473 1.668 0.407) 2.263 19.572 ( -0.193 -4.212 -1.621) 4.517 21.113 ( -0.039 1.400 -0.192) 1.413 21.117 ( 1.417 0.921 1.382) 2.183 21.263 ( 0.337 1.931 1.229) 2.314 21.286 ( -2.003 -0.282 0.647) 2.124 25.069 ( -0.496 0.804 0.192) 0.964 25.083 ( -0.258 -0.634 -0.435) 0.811 25.503 ( 1.362 2.091 -0.145) 2.500 25.566 ( 1.128 -4.877 0.338) 5.018 26.028 ( -0.135 2.851 0.900) 2.993 26.059 ( -0.166 -0.287 0.631) 0.713 26.255 ( -0.991 0.760 -0.244) 1.272 26.259 ( -0.995 0.304 -0.152) 1.052 26.758 ( 2.535 4.571 -4.832) 7.118 26.847 ( 2.749 -4.844 -6.561) 8.606 27.145 ( -0.300 1.247 -1.362) 1.871 27.194 ( 0.547 -4.102 -1.342) 4.351 27.358 ( 3.266 1.012 2.135) 4.031 27.385 ( 0.667 -1.806 2.377) 3.059 27.502 ( 0.921 0.167 3.898) 4.009 27.515 ( -0.409 -1.244 4.387) 4.578 27.713 ( -0.618 2.831 0.677) 2.975 27.754 ( 1.742 -1.612 -0.217) 2.383 28.072 ( -3.146 7.256 0.276) 7.914 28.105 ( 6.304 4.825 7.113) 10.659 28.158 ( -5.021 0.532 -5.703) 7.617 28.234 ( -2.098 1.458 -4.160) 4.882 28.368 ( -3.263 -0.245 3.375) 4.701 28.449 ( 0.126 1.910 -2.416) 3.082 28.489 ( 2.051 -8.875 4.824) 10.307 28.513 ( 1.202 -4.116 1.783) 4.644 28.629 ( -2.677 2.083 0.386) 3.414 28.673 ( -4.308 -2.392 0.417) 4.946 29.032 ( -5.310 5.800 -1.881) 8.085 29.130 ( -4.065 -3.326 0.455) 5.272 29.414 ( -2.833 10.165 -2.187) 10.777 29.618 ( 0.664 -9.975 -2.859) 10.398 30.037 ( -0.645 2.284 -0.185) 2.380 30.048 ( 0.312 0.964 -4.341) 4.458 30.175 ( -4.303 -0.214 4.881) 6.510 30.230 ( -3.897 -6.437 3.897) 8.474 30.573 ( 1.914 11.465 1.912) 11.780 30.802 ( 2.155 -12.958 1.547) 13.226 31.503 ( 7.798 4.371 -4.820) 10.156 31.571 ( 6.251 -2.913 -5.717) 8.959 ======================= Grid point 65 (36/63) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 7.531 3.755 11.051) 13.891 1.788 ( 6.960 -4.405 8.703) 11.983 1.886 ( -0.343 5.535 8.090) 9.808 1.967 ( 1.046 7.184 4.485) 8.533 2.011 ( 1.247 -2.167 6.922) 7.360 2.056 ( 2.240 1.846 8.245) 8.741 2.197 ( 6.535 -2.029 -1.516) 7.009 2.285 ( 3.440 -4.069 -1.108) 5.442 2.476 ( 7.544 2.930 -3.052) 8.649 2.566 ( 3.363 -2.285 0.058) 4.066 2.631 ( -2.675 0.871 -2.048) 3.480 2.678 ( 1.620 2.343 3.060) 4.181 2.731 ( -2.677 -3.827 1.342) 4.859 2.788 ( 0.053 -4.197 2.571) 4.922 2.975 ( -0.527 0.759 -0.121) 0.932 3.003 ( -1.216 -2.699 0.046) 2.961 3.157 ( -3.693 3.530 -1.708) 5.387 3.218 ( -4.499 -0.250 -1.002) 4.616 3.290 ( -0.699 -0.794 0.978) 1.441 3.311 ( -0.475 0.838 3.246) 3.386 3.470 ( 1.381 7.905 0.816) 8.066 3.579 ( 1.817 -3.109 2.577) 4.429 3.701 ( -1.223 13.766 -1.525) 13.904 3.736 ( -0.924 1.151 -2.411) 2.827 3.802 ( 2.276 -1.265 -2.885) 3.886 3.924 ( 5.778 -5.771 -0.719) 8.199 4.040 ( -8.143 9.562 -3.209) 12.963 4.072 ( 1.712 4.844 -1.259) 5.290 4.103 ( 1.299 0.243 -1.792) 2.227 4.150 ( -2.148 5.161 -6.766) 8.777 4.167 ( -1.430 -0.667 -2.584) 3.028 4.209 ( -1.914 4.539 -3.978) 6.332 4.271 ( 1.210 -2.531 -5.866) 6.502 4.385 ( -3.459 -3.920 -3.213) 6.136 4.397 ( -3.571 -6.984 -0.611) 7.867 4.448 ( -0.120 -5.602 -1.794) 5.883 4.555 ( -2.814 3.728 0.501) 4.698 4.600 ( 0.088 -3.537 1.989) 4.059 4.623 ( -3.854 -0.704 1.608) 4.235 4.674 ( 1.629 -1.707 -1.365) 2.726 4.713 ( -2.785 -1.300 1.842) 3.583 4.820 ( 1.181 -6.376 0.959) 6.555 4.936 ( 1.315 4.802 -4.419) 6.657 5.037 ( 0.924 -5.694 -3.461) 6.727 5.293 ( 1.190 3.700 1.572) 4.193 5.329 ( 0.093 3.874 1.558) 4.176 5.369 ( 2.018 -1.324 1.151) 2.674 5.390 ( 1.651 -0.098 -1.252) 2.074 5.437 ( 1.240 3.469 3.638) 5.177 5.515 ( -2.068 -3.629 1.156) 4.334 5.579 ( 2.587 0.785 4.323) 5.099 5.605 ( 1.291 -1.327 4.674) 5.027 5.702 ( -1.754 0.966 -2.533) 3.229 5.743 ( 0.170 -3.529 -2.209) 4.167 5.837 ( -0.763 1.367 -5.128) 5.361 5.915 ( -0.612 -6.750 -3.490) 7.623 6.079 ( 0.388 1.654 3.810) 4.171 6.106 ( 0.318 -0.941 2.664) 2.843 6.257 ( 1.936 0.013 -0.072) 1.937 6.292 ( 1.990 -2.756 1.598) 3.756 6.415 ( -1.688 -1.158 2.658) 3.355 6.419 ( -1.571 -1.778 2.913) 3.757 6.533 ( -0.631 2.592 0.620) 2.739 6.583 ( -1.276 -2.318 -0.827) 2.772 6.777 ( -0.574 6.707 0.237) 6.735 6.891 ( -3.129 -1.812 -2.530) 4.413 7.005 ( 3.908 0.836 0.938) 4.105 7.085 ( 1.564 -5.131 -1.215) 5.500 7.373 ( -1.078 2.991 1.518) 3.523 7.409 ( -0.686 -0.723 0.847) 1.308 7.507 ( 0.737 3.506 0.566) 3.627 7.608 ( -2.250 -1.183 1.276) 2.844 7.688 ( 3.150 0.024 -2.283) 3.891 7.784 ( -0.501 -4.376 -4.767) 6.490 7.847 ( 0.842 4.450 -6.879) 8.235 7.946 ( 1.194 -5.235 -4.530) 7.025 8.210 ( -3.725 5.685 -0.241) 6.801 8.300 ( -0.449 -3.215 -1.792) 3.708 8.408 ( 0.175 6.330 2.948) 6.985 8.489 ( 2.409 -2.470 0.594) 3.501 8.549 ( 2.903 3.976 3.027) 5.779 8.650 ( 0.017 -3.095 2.290) 3.850 8.665 ( -1.345 8.090 2.126) 8.472 8.850 ( -1.037 -7.023 -2.015) 7.380 9.019 ( -0.263 2.619 -0.631) 2.707 9.063 ( 2.336 -0.349 -0.664) 2.454 9.171 ( -2.684 -1.006 8.197) 8.684 9.212 ( 2.575 -5.883 2.065) 6.746 9.318 ( -1.884 8.221 -0.713) 8.464 9.438 ( -0.094 -4.314 -0.316) 4.326 9.556 ( 0.461 6.170 2.097) 6.533 9.630 ( -2.023 0.240 0.919) 2.235 9.693 ( 1.431 -2.510 2.999) 4.165 9.736 ( 1.232 -5.013 -0.745) 5.216 10.061 ( -2.551 3.599 -0.452) 4.434 10.098 ( -0.676 0.969 0.976) 1.532 10.269 ( -0.612 -0.099 -0.023) 0.620 10.296 ( -0.384 -2.820 2.617) 3.867 10.423 ( 3.008 5.131 -2.975) 6.650 10.483 ( 2.092 -1.045 0.532) 2.398 10.574 ( -0.312 -0.709 -0.402) 0.872 10.652 ( 3.359 -7.127 -2.872) 8.386 10.866 ( 0.731 -3.347 4.218) 5.433 10.886 ( -2.290 -4.491 4.525) 6.774 11.150 ( 2.078 3.536 2.009) 4.567 11.201 ( 2.350 -1.313 2.611) 3.750 11.436 ( -1.182 4.648 -2.710) 5.509 11.476 ( -3.513 1.176 -2.434) 4.433 12.000 ( -0.395 1.108 -1.290) 1.746 12.040 ( -0.654 -3.035 0.072) 3.106 12.200 ( -0.452 6.323 -3.863) 7.424 12.271 ( -3.067 0.280 -3.237) 4.468 12.288 ( -0.741 -3.348 -2.996) 4.553 12.334 ( -1.464 -5.705 -5.844) 8.297 12.454 ( 0.779 -1.128 1.367) 1.936 12.524 ( -0.355 -7.601 1.414) 7.740 12.618 ( -1.334 3.033 -3.148) 4.571 12.652 ( 0.366 1.048 -1.528) 1.889 12.767 ( -1.523 2.271 -1.408) 3.075 12.797 ( 0.411 -2.784 -2.809) 3.976 12.891 ( 0.009 0.696 3.289) 3.361 12.961 ( 2.638 -5.253 0.838) 5.938 13.104 ( 0.741 4.475 0.548) 4.569 13.151 ( -0.431 -0.204 2.042) 2.097 13.228 ( -2.224 0.579 3.654) 4.317 13.252 ( 0.558 -2.153 1.104) 2.483 13.453 ( -2.011 1.104 4.533) 5.080 13.514 ( -1.876 -4.805 4.985) 7.173 13.809 ( 3.159 2.354 -7.001) 8.034 13.826 ( 2.164 0.454 -4.617) 5.119 13.946 ( 2.211 3.196 0.201) 3.891 14.017 ( 3.506 -3.754 -0.932) 5.220 14.087 ( -0.628 2.397 -2.699) 3.664 14.103 ( -5.598 2.113 1.472) 6.162 14.269 ( -2.243 7.406 2.858) 8.249 14.389 ( 1.794 -3.822 0.013) 4.222 14.645 ( -0.203 3.211 -0.329) 3.234 14.757 ( 0.741 -6.880 -0.845) 6.971 14.896 ( 0.221 6.749 -1.914) 7.018 14.990 ( 0.011 -3.540 -1.437) 3.821 15.272 ( 4.095 8.755 -2.529) 9.991 15.385 ( 1.243 -2.273 -1.588) 3.039 15.453 ( 1.849 1.925 0.862) 2.804 15.484 ( -1.027 -1.175 -0.666) 1.697 15.569 ( -0.297 2.588 -0.735) 2.707 15.598 ( 1.191 -0.857 -2.114) 2.573 15.999 ( -1.565 9.896 3.067) 10.478 16.023 ( -2.499 5.746 5.307) 8.211 16.109 ( -1.552 -2.842 5.755) 6.604 16.146 ( -1.244 -4.875 3.669) 6.227 16.462 ( 0.952 2.591 1.285) 3.045 16.551 ( -0.141 -6.957 3.608) 7.838 16.656 ( -1.507 8.302 -5.469) 10.055 16.843 ( -0.483 -10.440 -1.539) 10.564 16.987 ( 1.953 0.736 -1.218) 2.417 17.045 ( 0.848 -5.147 -0.165) 5.219 19.294 ( -0.754 2.812 1.250) 3.168 19.373 ( -0.229 -5.290 -0.003) 5.295 19.491 ( -0.744 3.009 -0.210) 3.107 19.570 ( 1.283 -5.252 -0.791) 5.463 21.128 ( -0.036 3.450 2.437) 4.225 21.170 ( 1.869 -0.829 2.729) 3.410 21.255 ( -1.272 2.416 0.398) 2.759 21.279 ( -0.220 -0.122 0.878) 0.913 25.054 ( -0.781 0.584 -0.995) 1.393 25.064 ( -0.700 -0.540 -1.585) 1.815 25.506 ( -0.352 1.850 -0.858) 2.069 25.555 ( -1.395 -3.431 -1.818) 4.125 26.045 ( 0.300 2.466 2.331) 3.406 26.072 ( 0.404 -0.321 1.922) 1.990 26.234 ( -0.511 0.673 -1.358) 1.600 26.237 ( -0.643 0.421 -1.486) 1.673 26.757 ( 2.267 3.180 -3.747) 5.412 26.825 ( 2.242 -3.883 -6.388) 7.804 27.121 ( -0.175 0.287 -2.335) 2.359 27.161 ( -0.771 -3.877 -4.410) 5.922 27.396 ( -1.336 0.469 1.394) 1.988 27.409 ( 0.596 -0.982 0.781) 1.389 27.524 ( -2.017 0.885 4.191) 4.734 27.540 ( -1.867 -0.939 4.403) 4.874 27.725 ( -0.819 5.389 2.996) 6.220 27.800 ( -1.553 -2.525 2.748) 4.042 27.970 ( 0.101 3.733 -4.764) 6.053 28.021 ( -2.634 -1.729 -6.510) 7.232 28.211 ( 0.032 5.138 0.878) 5.212 28.275 ( 3.928 -1.199 4.677) 6.224 28.385 ( 0.431 1.562 3.871) 4.197 28.432 ( 0.531 -0.546 -0.506) 0.915 28.552 ( -1.241 0.249 2.683) 2.966 28.590 ( -0.148 -2.732 4.976) 5.679 28.610 ( -1.535 0.413 3.419) 3.770 28.652 ( 3.814 -3.866 3.245) 6.326 28.948 ( -0.239 6.726 -4.509) 8.101 29.076 ( -0.998 -6.263 -2.704) 6.895 29.394 ( 1.828 12.649 0.417) 12.787 29.638 ( 3.541 -12.260 -0.812) 12.787 29.990 ( -0.918 4.223 -3.113) 5.326 30.034 ( -0.380 0.900 -0.916) 1.340 30.153 ( -2.816 1.335 3.567) 4.737 30.245 ( 1.424 -7.059 3.383) 7.956 30.615 ( -1.066 8.688 4.197) 9.707 30.815 ( -2.026 -11.906 0.418) 12.085 31.523 ( 1.448 4.110 -6.909) 8.168 31.585 ( 3.075 -2.678 -6.895) 8.011 ======================= Grid point 66 (37/63) ======================= q-point: (-0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -12.742 10.188 3.969) 16.790 1.861 ( -1.285 -8.958 1.668) 9.202 1.993 ( -10.577 6.867 2.770) 12.911 2.054 ( -1.910 -0.450 -0.629) 2.061 2.130 ( 4.500 2.634 2.363) 5.725 2.224 ( 5.143 -6.225 3.576) 8.831 2.285 ( 6.597 6.064 1.377) 9.066 2.412 ( 2.349 -6.434 -0.060) 6.850 2.446 ( -1.997 3.577 -3.645) 5.484 2.577 ( 4.914 -9.438 -4.341) 11.492 2.660 ( 5.049 0.194 5.956) 7.810 2.684 ( -3.515 -0.893 3.601) 5.111 2.735 ( 1.500 2.509 0.438) 2.955 2.806 ( -4.649 -4.084 5.350) 8.180 2.923 ( -4.898 3.117 -0.218) 5.810 2.986 ( -2.720 -3.081 3.006) 5.092 3.090 ( 1.329 4.982 -2.967) 5.949 3.141 ( 1.190 0.775 -4.313) 4.541 3.257 ( -4.597 4.493 -2.292) 6.824 3.285 ( -6.787 1.680 4.104) 8.108 3.509 ( -2.303 6.947 5.871) 9.383 3.527 ( -9.086 3.550 -0.585) 9.773 3.667 ( -5.356 4.443 -1.080) 7.042 3.733 ( 4.017 3.907 1.046) 5.700 3.811 ( -1.035 5.726 -3.742) 6.918 3.832 ( -3.632 3.532 0.538) 5.095 3.943 ( -3.591 -4.334 -2.123) 6.016 3.996 ( -3.468 -5.377 -8.458) 10.605 4.081 ( 1.214 2.680 -3.589) 4.640 4.122 ( 2.547 2.120 -4.864) 5.886 4.131 ( -1.073 0.508 -0.422) 1.260 4.191 ( 1.480 -5.602 -1.238) 5.925 4.218 ( 2.784 0.892 -4.583) 5.436 4.307 ( -0.281 -7.252 0.253) 7.262 4.366 ( -0.231 2.925 -1.886) 3.488 4.413 ( 0.949 -0.734 0.019) 1.200 4.512 ( -1.529 -0.857 -2.454) 3.016 4.600 ( 3.396 -0.631 3.469) 4.895 4.636 ( -1.731 -3.367 0.930) 3.898 4.705 ( 3.760 -3.678 4.818) 7.133 4.759 ( 3.429 5.626 -1.337) 6.723 4.887 ( 4.751 -6.294 0.846) 7.931 4.950 ( 3.425 1.863 -2.263) 4.508 5.013 ( -1.326 -4.564 -1.451) 4.969 5.312 ( 1.012 6.019 -2.396) 6.557 5.353 ( 2.059 1.359 1.572) 2.926 5.405 ( 2.269 -0.028 -0.288) 2.287 5.445 ( 3.165 -3.151 -0.262) 4.473 5.483 ( -2.210 2.041 5.165) 5.978 5.509 ( 0.165 -0.640 5.452) 5.492 5.630 ( 0.436 0.272 -1.843) 1.913 5.644 ( 0.811 -0.415 -1.596) 1.838 5.693 ( 3.979 3.188 3.930) 6.437 5.782 ( 1.987 -3.605 4.705) 6.251 5.823 ( 5.151 -1.234 -5.759) 7.824 5.888 ( 2.167 -6.220 -5.079) 8.318 6.128 ( -0.685 -0.564 2.326) 2.489 6.137 ( 0.117 -1.401 3.954) 4.196 6.260 ( -2.265 1.674 0.436) 2.850 6.292 ( -0.869 -1.423 -2.444) 2.958 6.396 ( -0.924 1.065 0.319) 1.446 6.434 ( 0.136 -2.515 0.967) 2.698 6.554 ( 0.763 1.686 2.513) 3.121 6.580 ( -0.051 -0.896 2.310) 2.479 6.797 ( 0.985 3.315 2.188) 4.092 6.858 ( 0.296 -1.149 1.131) 1.639 7.038 ( 1.533 1.740 -3.616) 4.296 7.135 ( 5.337 -7.000 -3.247) 9.383 7.368 ( -0.398 3.850 -0.303) 3.882 7.405 ( -0.561 0.331 1.095) 1.274 7.534 ( 0.943 5.682 2.195) 6.164 7.591 ( 0.112 1.894 -0.343) 1.929 7.706 ( -0.117 -1.233 -5.802) 5.933 7.746 ( 3.219 -7.038 -2.500) 8.133 7.813 ( 1.503 4.304 -2.877) 5.391 7.910 ( 0.290 -6.063 -5.461) 8.165 8.165 ( -0.525 6.317 1.094) 6.432 8.277 ( 0.472 -5.402 -0.512) 5.447 8.462 ( 1.403 6.994 2.512) 7.563 8.545 ( 0.810 -1.221 0.343) 1.504 8.633 ( 1.945 3.389 4.412) 5.894 8.662 ( 5.127 7.832 -2.423) 9.670 8.733 ( 1.451 -4.161 4.870) 6.568 8.823 ( 1.135 -5.537 -2.584) 6.214 9.008 ( 1.122 1.780 -1.526) 2.599 9.073 ( -0.931 -3.386 1.074) 3.672 9.208 ( -2.551 3.061 6.107) 7.292 9.278 ( 0.309 3.607 0.317) 3.634 9.292 ( 3.638 -2.071 -1.425) 4.422 9.409 ( -2.506 -6.053 0.351) 6.561 9.559 ( -2.738 6.340 1.435) 7.053 9.599 ( -2.076 1.718 1.462) 3.066 9.722 ( -1.541 -1.464 1.391) 2.541 9.751 ( -0.126 -4.638 0.297) 4.650 10.011 ( -2.720 2.078 1.486) 3.732 10.082 ( -1.214 -3.712 -0.305) 3.917 10.243 ( -1.908 3.252 -0.496) 3.803 10.305 ( -1.613 -3.428 2.201) 4.382 10.428 ( 0.588 3.616 -2.057) 4.202 10.489 ( -1.248 -3.089 -0.861) 3.441 10.595 ( 1.661 2.861 0.519) 3.349 10.691 ( 3.608 -6.553 -2.436) 7.868 10.877 ( -2.549 -0.788 3.299) 4.243 10.945 ( 0.628 -7.346 4.554) 8.666 11.210 ( 1.484 5.250 2.756) 6.112 11.284 ( 1.929 -2.221 1.583) 3.340 11.353 ( -1.917 2.835 -2.398) 4.179 11.372 ( -2.829 1.358 -2.913) 4.281 12.005 ( 1.077 2.119 0.891) 2.538 12.050 ( 0.062 -2.289 1.615) 2.803 12.147 ( -2.223 2.163 -4.814) 5.727 12.167 ( -2.560 -1.023 -2.826) 3.948 12.260 ( 2.077 -2.034 -3.187) 4.313 12.291 ( 3.316 -3.628 -5.399) 7.301 12.468 ( 0.703 2.221 -1.786) 2.936 12.537 ( -0.576 -5.369 1.857) 5.710 12.576 ( -1.200 5.375 0.735) 5.556 12.663 ( 1.402 -0.847 0.130) 1.643 12.744 ( 1.562 0.908 -2.048) 2.731 12.777 ( 0.185 -4.057 -2.145) 4.593 12.922 ( 1.346 4.422 1.776) 4.951 13.026 ( 4.697 -5.948 -0.988) 7.644 13.116 ( -0.686 4.051 0.884) 4.203 13.171 ( -0.158 -2.545 2.468) 3.549 13.230 ( -1.663 1.311 3.550) 4.134 13.278 ( 0.382 -4.132 1.754) 4.506 13.437 ( -3.875 3.338 4.909) 7.089 13.509 ( -4.576 -4.055 5.368) 8.136 13.779 ( -0.084 3.298 -5.503) 6.416 13.830 ( 1.536 -1.080 -3.420) 3.901 13.864 ( -7.394 3.476 -3.951) 9.075 13.966 ( -0.099 -6.566 -7.632) 10.068 14.047 ( -1.721 4.857 0.299) 5.161 14.135 ( 2.723 -4.684 0.684) 5.461 14.381 ( 8.026 7.530 6.170) 12.617 14.469 ( 6.200 -0.959 2.091) 6.613 14.643 ( 1.691 4.441 -2.204) 5.238 14.715 ( -1.364 -0.758 -5.624) 5.837 14.902 ( 0.371 2.030 2.076) 2.927 14.972 ( -0.407 -4.106 -1.017) 4.249 15.300 ( 2.119 6.818 -2.738) 7.647 15.381 ( 0.131 -1.013 -0.355) 1.081 15.469 ( -0.569 1.968 0.638) 2.146 15.505 ( 3.168 -1.592 0.170) 3.550 15.579 ( 2.219 2.924 -0.715) 3.740 15.605 ( 1.947 -0.464 -1.770) 2.672 15.980 ( -3.636 10.098 2.923) 11.124 16.053 ( -0.805 4.693 5.445) 7.233 16.146 ( -0.947 -4.509 5.354) 7.063 16.161 ( -1.522 -5.366 3.961) 6.841 16.453 ( -2.683 6.124 -1.505) 6.853 16.557 ( -1.371 -5.907 -2.718) 6.645 16.611 ( 0.136 8.581 2.938) 9.071 16.821 ( -0.939 -12.026 0.308) 12.067 16.980 ( -0.900 -0.298 -1.106) 1.457 17.017 ( -3.019 -3.812 -1.185) 5.005 19.291 ( -1.085 2.530 1.685) 3.228 19.372 ( 0.127 -5.713 0.011) 5.714 19.492 ( 0.970 4.491 0.031) 4.595 19.598 ( 2.859 -6.694 -0.918) 7.337 21.133 ( -2.017 5.259 1.491) 5.826 21.208 ( -1.201 -2.649 2.718) 3.981 21.265 ( 1.245 2.424 1.218) 2.985 21.282 ( 0.118 0.183 0.274) 0.350 25.025 ( -1.131 0.254 -1.234) 1.693 25.031 ( -1.109 -0.332 -1.394) 1.812 25.477 ( -2.079 0.754 -0.683) 2.315 25.497 ( -2.635 -1.174 -1.788) 3.394 26.086 ( 0.734 2.381 3.823) 4.564 26.113 ( 1.006 -0.558 3.480) 3.665 26.205 ( -0.366 0.557 -2.714) 2.794 26.207 ( -0.177 0.427 -3.074) 3.108 26.750 ( 0.695 1.270 -3.740) 4.010 26.791 ( 0.820 -3.120 -6.353) 7.125 27.081 ( -1.008 0.967 -3.129) 3.426 27.123 ( 0.896 -3.661 -1.606) 4.097 27.359 ( -4.137 1.569 1.179) 4.579 27.396 ( -3.057 -2.394 1.283) 4.089 27.527 ( -3.612 2.211 5.811) 7.191 27.559 ( -1.413 -1.204 4.882) 5.223 27.717 ( -1.245 5.686 -2.212) 6.227 27.778 ( 0.116 -0.201 1.137) 1.161 27.940 ( -0.265 2.137 -4.181) 4.703 27.998 ( 2.344 -3.577 1.537) 4.544 28.235 ( 0.460 5.326 3.013) 6.137 28.330 ( 1.169 -4.499 0.963) 4.747 28.401 ( -2.277 2.001 -1.815) 3.534 28.426 ( 0.195 -0.563 1.077) 1.231 28.560 ( -2.078 2.303 2.789) 4.172 28.606 ( -0.216 -1.312 1.836) 2.267 28.693 ( 3.701 2.562 4.393) 6.290 28.777 ( 4.457 -5.334 4.966) 8.543 28.943 ( 5.005 4.101 -4.003) 7.609 29.052 ( 3.414 -7.060 -4.352) 8.969 29.478 ( 5.824 13.116 1.862) 14.471 29.698 ( 5.264 -9.249 -3.658) 11.253 29.957 ( -1.062 4.314 -0.845) 4.523 30.005 ( -1.120 -0.256 -1.959) 2.271 30.164 ( -0.153 6.273 3.581) 7.225 30.333 ( 3.718 -10.511 3.817) 11.785 30.618 ( -3.534 4.011 4.635) 7.075 30.753 ( -4.429 -9.306 -0.082) 10.306 31.432 ( -3.419 6.250 -6.811) 9.856 31.539 ( -0.208 -5.275 -7.299) 9.008 ======================= Grid point 67 (38/63) ======================= q-point: (-0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -13.024 18.496 3.462) 22.885 1.560 ( -24.575 10.927 -18.091) 32.414 1.782 ( -18.029 -10.666 -15.974) 26.343 1.832 ( -2.366 -16.474 -2.725) 16.865 2.093 ( -2.743 5.156 -3.844) 6.992 2.200 ( -7.090 -5.635 -0.671) 9.082 2.273 ( 0.105 5.091 -1.762) 5.388 2.383 ( 0.950 -4.459 -2.405) 5.155 2.507 ( -8.620 3.386 3.909) 10.053 2.555 ( 0.626 -0.238 0.807) 1.049 2.674 ( -0.971 2.012 -6.349) 6.731 2.739 ( -2.429 -4.723 -2.465) 5.855 2.837 ( 1.229 1.537 4.634) 5.034 2.857 ( 2.929 0.944 4.621) 5.552 2.874 ( 2.675 3.831 3.762) 5.999 2.924 ( -4.605 1.527 5.429) 7.281 3.084 ( -3.141 5.368 -4.520) 7.689 3.112 ( -2.677 6.020 2.676) 7.111 3.148 ( -2.246 -0.199 -3.296) 3.994 3.211 ( -1.173 -1.845 1.959) 2.935 3.386 ( -2.803 0.754 -3.412) 4.479 3.491 ( -6.008 -4.954 1.988) 8.037 3.592 ( -4.714 7.970 6.941) 11.572 3.659 ( -9.229 -1.490 2.936) 9.799 3.789 ( -3.185 -2.408 -0.535) 4.029 3.825 ( -3.651 0.485 -4.880) 6.114 3.861 ( 4.969 6.404 0.507) 8.121 3.973 ( 4.932 0.428 -3.546) 6.090 4.072 ( 0.059 2.238 0.751) 2.361 4.097 ( 0.805 0.677 -0.530) 1.178 4.160 ( 5.580 -0.041 -1.599) 5.804 4.222 ( 2.303 -3.351 0.445) 4.090 4.278 ( 0.116 0.929 -2.094) 2.294 4.330 ( 3.794 -7.385 1.642) 8.464 4.391 ( 4.041 1.395 0.342) 4.288 4.442 ( 4.394 -4.026 -0.652) 5.995 4.580 ( 5.677 2.164 0.970) 6.152 4.608 ( -0.504 3.232 -1.517) 3.606 4.709 ( 2.170 0.009 5.688) 6.088 4.785 ( 1.835 -0.239 1.500) 2.381 4.851 ( 6.842 1.104 1.951) 7.200 4.948 ( -0.296 -4.333 -1.866) 4.727 4.971 ( -0.263 -0.303 0.783) 0.879 4.992 ( 4.522 -5.712 -1.602) 7.459 5.315 ( 0.967 5.743 -1.543) 6.025 5.408 ( 1.495 -3.516 -0.656) 3.876 5.439 ( 0.936 2.302 0.426) 2.522 5.466 ( 0.864 -0.404 1.189) 1.525 5.506 ( 1.586 3.636 3.567) 5.335 5.582 ( 1.843 -3.740 4.281) 5.976 5.665 ( 2.245 0.998 0.229) 2.467 5.683 ( 3.693 -0.816 0.569) 3.825 5.801 ( 1.623 2.610 5.451) 6.258 5.834 ( 4.000 -0.568 -2.507) 4.755 5.885 ( 5.664 -3.386 -6.481) 9.249 5.897 ( 5.452 -4.859 -0.495) 7.320 6.050 ( -6.377 3.115 -3.920) 8.108 6.122 ( -3.560 -3.893 -1.597) 5.512 6.244 ( -0.404 -0.657 0.004) 0.771 6.262 ( 0.690 -2.132 -1.221) 2.552 6.418 ( 0.028 1.664 4.199) 4.517 6.456 ( 1.884 -1.909 2.595) 3.731 6.584 ( -0.306 1.909 2.173) 2.909 6.616 ( 0.755 -1.347 2.796) 3.194 6.823 ( -1.183 2.787 2.368) 3.844 6.893 ( -0.350 -3.734 3.204) 4.933 7.015 ( 2.198 6.325 -5.660) 8.767 7.165 ( 3.504 -8.763 -6.549) 11.487 7.359 ( 0.719 5.622 -1.268) 5.808 7.406 ( -0.311 0.558 0.247) 0.685 7.552 ( -1.191 4.894 -1.399) 5.228 7.601 ( 1.078 -0.799 -0.366) 1.391 7.665 ( 2.163 3.162 -3.247) 5.022 7.743 ( 2.034 -3.447 -5.180) 6.546 7.852 ( 1.123 -0.061 2.949) 3.156 7.881 ( 1.160 -2.341 -0.025) 2.613 8.225 ( 4.160 4.124 3.008) 6.585 8.315 ( 4.815 -4.750 -1.720) 6.979 8.485 ( -0.425 4.347 1.481) 4.612 8.528 ( -1.809 0.193 -0.146) 1.825 8.691 ( 0.985 1.298 3.222) 3.610 8.718 ( 0.775 -0.142 1.014) 1.284 8.799 ( 3.292 3.473 1.034) 4.896 8.878 ( 7.523 -3.704 -1.934) 8.606 9.036 ( 3.554 0.050 -2.465) 4.325 9.065 ( -1.774 -1.388 1.233) 2.568 9.185 ( -3.473 5.769 1.199) 6.839 9.276 ( -0.534 3.592 -1.428) 3.903 9.330 ( 1.089 -4.822 -1.593) 5.193 9.383 ( -0.009 -6.729 -0.232) 6.733 9.518 ( -3.231 6.162 2.102) 7.269 9.599 ( -0.946 -2.129 3.624) 4.308 9.676 ( -2.607 0.177 -1.480) 3.003 9.715 ( -2.600 -5.026 -2.084) 6.030 9.994 ( -2.813 1.605 2.871) 4.328 10.060 ( -1.221 -4.280 -0.179) 4.454 10.199 ( -1.097 4.553 -2.559) 5.337 10.282 ( -2.603 -3.964 0.753) 4.801 10.407 ( -0.638 1.656 -1.905) 2.604 10.448 ( -3.046 -2.582 0.873) 4.088 10.620 ( 0.916 3.392 0.224) 3.520 10.717 ( 1.790 -6.336 -1.690) 6.797 10.851 ( -2.317 2.110 0.707) 3.213 10.946 ( -3.385 -6.800 1.381) 7.720 11.181 ( -2.443 2.357 -4.308) 5.485 11.219 ( -1.293 -1.880 -4.217) 4.795 11.400 ( 3.609 4.250 4.718) 7.304 11.458 ( 3.427 -1.662 6.838) 7.827 11.970 ( -3.962 1.421 -0.992) 4.324 12.034 ( -2.995 -5.258 -2.654) 6.608 12.111 ( 2.076 4.927 3.903) 6.619 12.184 ( 2.078 -1.941 2.621) 3.867 12.303 ( 5.349 1.188 -4.993) 7.414 12.315 ( 4.836 -0.714 -1.582) 5.138 12.443 ( -0.882 4.506 -1.201) 4.746 12.523 ( -1.497 -3.189 0.974) 3.655 12.619 ( 1.825 4.829 2.843) 5.893 12.704 ( 3.009 -0.057 0.355) 3.030 12.759 ( 2.044 -0.313 -1.451) 2.526 12.789 ( 2.792 -6.478 -0.207) 7.057 12.979 ( 2.481 6.486 1.544) 7.114 13.072 ( 1.460 0.028 -2.785) 3.144 13.106 ( 0.295 -1.038 0.435) 1.164 13.181 ( -1.602 -5.467 2.216) 6.113 13.259 ( 2.389 1.588 1.777) 3.374 13.278 ( -1.183 -1.951 1.761) 2.882 13.456 ( -2.328 -0.582 6.998) 7.398 13.479 ( -4.805 -2.189 6.322) 8.237 13.649 ( -9.449 3.217 -4.050) 10.772 13.678 ( -6.595 0.391 -2.372) 7.020 13.831 ( 2.431 1.899 -5.192) 6.040 13.918 ( 4.369 -6.971 -8.434) 11.782 14.043 ( 2.190 7.145 -1.801) 7.687 14.188 ( 3.167 -8.734 -0.841) 9.328 14.562 ( 4.701 7.635 1.830) 9.151 14.591 ( 3.720 3.825 2.186) 5.766 14.640 ( -0.291 0.728 -0.090) 0.789 14.678 ( 3.137 -0.174 -0.417) 3.169 14.923 ( -0.263 2.872 0.398) 2.911 14.958 ( 0.753 -3.029 -1.823) 3.614 15.297 ( 2.253 6.819 -4.369) 8.406 15.399 ( 1.751 -1.691 0.068) 2.435 15.467 ( 0.182 3.037 -0.546) 3.091 15.543 ( 2.198 -4.500 -2.654) 5.668 15.624 ( 2.637 2.731 0.604) 3.845 15.662 ( 5.581 -0.524 2.220) 6.030 15.940 ( -4.794 10.564 3.395) 12.087 16.090 ( -1.885 -0.003 5.627) 5.934 16.158 ( -0.947 -6.358 1.518) 6.605 16.174 ( -3.165 -3.146 3.960) 5.966 16.373 ( -2.903 6.162 -2.227) 7.166 16.481 ( -2.238 -5.054 -4.519) 7.139 16.669 ( 1.107 6.684 3.178) 7.484 16.808 ( -1.131 -8.216 -0.411) 8.303 16.945 ( -3.496 -0.521 0.684) 3.600 16.960 ( -0.810 -2.463 0.918) 2.751 19.297 ( -0.688 2.440 2.678) 3.688 19.380 ( 0.129 -6.166 1.412) 6.327 19.513 ( 1.243 5.463 -0.792) 5.659 19.640 ( 3.187 -7.992 -1.750) 8.780 21.098 ( -2.373 6.258 -0.156) 6.694 21.193 ( -1.936 -4.036 0.158) 4.480 21.265 ( -2.274 3.045 1.197) 3.984 21.302 ( 0.298 -0.544 0.755) 0.977 24.998 ( -1.263 0.288 0.646) 1.448 25.009 ( -0.908 -0.758 0.732) 1.391 25.421 ( -3.202 1.528 -0.225) 3.555 25.447 ( -2.651 -1.189 0.549) 2.957 26.134 ( 0.090 1.371 2.237) 2.625 26.149 ( -0.571 -0.477 -0.687) 1.013 26.186 ( 1.639 1.179 -0.936) 2.225 26.190 ( 1.565 0.679 0.942) 1.949 26.694 ( -2.514 -0.210 -4.578) 5.227 26.715 ( -1.539 -2.625 -6.628) 7.294 27.065 ( 1.244 3.776 -0.409) 3.997 27.143 ( 1.204 -4.794 1.207) 5.088 27.296 ( -4.537 2.128 1.898) 5.358 27.344 ( -5.142 -2.872 2.656) 6.461 27.514 ( -3.973 3.349 4.668) 6.985 27.571 ( -2.473 -2.724 3.597) 5.145 27.679 ( 0.500 6.313 -2.828) 6.936 27.786 ( 0.943 -5.012 -4.185) 6.597 27.959 ( 3.286 6.650 5.058) 8.978 28.065 ( 1.879 -5.109 3.684) 6.573 28.278 ( 1.130 4.961 2.655) 5.739 28.341 ( -0.247 2.275 -2.536) 3.416 28.360 ( -0.461 -1.676 0.588) 1.835 28.429 ( -0.135 -4.781 -0.076) 4.783 28.538 ( -0.847 4.537 -0.344) 4.629 28.600 ( -0.541 0.635 -1.314) 1.556 28.774 ( 3.379 1.165 -0.429) 3.600 28.845 ( 2.017 -5.566 -1.884) 6.213 29.055 ( 8.238 3.175 2.380) 9.144 29.148 ( 9.426 -6.121 0.461) 11.248 29.591 ( 5.441 9.621 -1.151) 11.113 29.739 ( 5.813 -4.895 -7.133) 10.422 29.907 ( -3.863 4.830 -0.941) 6.256 29.969 ( -1.533 -0.781 -0.887) 1.936 30.197 ( -1.492 7.391 4.224) 8.643 30.375 ( -6.362 -12.061 4.646) 14.406 30.622 ( 3.007 1.327 0.563) 3.335 30.711 ( 0.316 -7.639 0.975) 7.708 31.287 ( -6.293 8.386 -4.637) 11.464 31.434 ( -4.116 -7.627 -6.261) 10.692 ======================= Grid point 68 (39/63) ======================= q-point: (-0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -12.533 20.463 -2.967) 24.179 1.330 ( -7.078 19.235 3.649) 20.818 1.402 ( -8.791 -12.313 -1.591) 15.212 1.761 ( -2.828 -19.324 -1.463) 19.584 2.028 ( -4.226 7.732 4.543) 9.914 2.099 ( -4.509 -0.564 2.889) 5.385 2.265 ( 0.712 4.823 -1.140) 5.006 2.363 ( -0.567 -4.720 -3.454) 5.876 2.384 ( -6.572 9.631 3.058) 12.053 2.526 ( 0.718 7.850 -3.362) 8.569 2.589 ( -4.824 -5.767 2.643) 7.970 2.669 ( 0.489 -7.117 -3.116) 7.785 2.786 ( -0.412 8.048 -3.281) 8.701 2.912 ( -3.815 -1.580 -0.247) 4.137 2.956 ( 1.506 -0.908 1.017) 2.031 2.975 ( 2.247 -2.770 0.977) 3.698 3.006 ( -1.915 3.553 -0.970) 4.151 3.046 ( -2.867 -0.476 -0.736) 2.998 3.164 ( 1.979 3.332 4.841) 6.201 3.240 ( -0.125 1.285 2.578) 2.883 3.337 ( -0.743 -1.247 -2.302) 2.721 3.401 ( -4.279 -9.824 -0.710) 10.739 3.570 ( -5.493 2.289 3.565) 6.937 3.593 ( -3.654 5.555 6.079) 9.009 3.710 ( -2.900 -1.015 -0.760) 3.165 3.751 ( -3.633 -5.834 2.039) 7.169 3.929 ( 3.608 9.902 -3.134) 10.995 4.040 ( 3.777 2.258 -0.569) 4.437 4.114 ( 1.214 3.080 1.178) 3.514 4.129 ( 2.630 2.083 3.702) 4.996 4.224 ( 1.709 -1.532 -1.879) 2.966 4.268 ( 3.428 -0.791 -1.599) 3.864 4.297 ( 3.342 -0.823 -0.187) 3.447 4.347 ( 0.823 -7.280 0.170) 7.329 4.472 ( 2.894 -1.219 -2.412) 3.959 4.514 ( 1.561 -4.451 1.435) 4.930 4.572 ( 1.696 9.149 -3.846) 10.069 4.663 ( 3.150 -0.213 -4.185) 5.243 4.740 ( -2.426 1.153 2.147) 3.438 4.808 ( -0.236 -4.868 -0.545) 4.904 4.917 ( 0.021 1.449 2.004) 2.472 4.992 ( 4.655 1.166 1.210) 4.949 4.998 ( 2.921 -2.307 -0.779) 3.803 5.070 ( 4.608 -3.405 -0.235) 5.735 5.280 ( -1.988 2.146 -2.206) 3.663 5.326 ( -3.559 -2.037 -5.339) 6.732 5.499 ( 3.129 3.234 1.932) 4.897 5.524 ( 0.347 0.577 1.604) 1.740 5.575 ( 1.828 2.583 2.096) 3.796 5.615 ( -2.034 0.203 -0.081) 2.046 5.677 ( 0.586 -2.271 -0.350) 2.371 5.720 ( 0.007 -3.765 -1.885) 4.211 5.822 ( -3.513 3.864 0.489) 5.245 5.873 ( 3.702 1.489 -3.764) 5.485 5.912 ( 0.992 -3.255 1.343) 3.658 5.936 ( 2.261 -4.652 -6.244) 8.108 6.016 ( 5.041 0.226 0.736) 5.100 6.073 ( 3.218 -4.017 -3.579) 6.269 6.221 ( -1.211 0.324 -1.755) 2.157 6.253 ( -1.720 -3.396 0.399) 3.827 6.481 ( 3.135 2.707 2.595) 4.888 6.521 ( 1.117 -0.419 2.590) 2.851 6.598 ( -0.202 1.447 1.933) 2.423 6.641 ( -0.484 -2.692 0.040) 2.736 6.810 ( -2.513 3.521 3.264) 5.419 6.883 ( -4.484 -4.784 4.317) 7.851 7.020 ( 3.785 5.887 -3.806) 7.967 7.126 ( 0.832 -4.937 -5.718) 7.601 7.378 ( 1.945 3.109 0.141) 3.670 7.398 ( -0.244 0.694 -0.399) 0.837 7.516 ( 1.090 5.107 -2.965) 6.005 7.593 ( -1.133 -3.073 -0.984) 3.420 7.701 ( 3.184 2.075 0.163) 3.804 7.741 ( 1.732 -1.381 -1.397) 2.619 7.911 ( -1.121 1.324 4.316) 4.652 7.918 ( 1.534 -0.040 4.380) 4.641 8.288 ( -3.145 5.276 4.745) 7.762 8.374 ( 1.339 -3.093 -0.456) 3.401 8.532 ( 5.797 1.101 -0.531) 5.924 8.544 ( 6.044 -0.120 0.739) 6.090 8.750 ( 3.365 -0.681 0.356) 3.452 8.763 ( 5.977 -2.238 -0.906) 6.446 8.853 ( 1.518 6.947 0.507) 7.129 8.967 ( 0.864 -4.014 1.163) 4.267 8.999 ( -5.370 1.959 -1.477) 5.904 9.039 ( 0.546 -3.091 -4.812) 5.745 9.149 ( -1.845 4.175 0.768) 4.629 9.250 ( 0.532 -2.094 -2.302) 3.157 9.297 ( -0.325 1.217 -3.213) 3.451 9.404 ( 2.395 -4.943 -0.781) 5.548 9.494 ( -2.859 6.923 2.552) 7.913 9.596 ( -3.316 -0.654 0.411) 3.405 9.643 ( -0.168 -0.540 0.483) 0.744 9.671 ( 0.856 -8.731 -1.035) 8.834 9.957 ( -3.382 4.570 1.057) 5.783 10.035 ( -1.399 -3.141 0.651) 3.500 10.162 ( 0.603 2.955 -3.590) 4.689 10.241 ( -2.033 -5.064 -0.718) 5.504 10.375 ( -2.080 0.754 1.098) 2.470 10.412 ( -2.228 -2.748 1.427) 3.815 10.630 ( -0.494 4.064 0.897) 4.191 10.727 ( 0.243 -5.531 0.501) 5.559 10.837 ( 0.211 1.502 0.256) 1.538 10.907 ( -1.221 -4.555 0.690) 4.766 11.124 ( 0.157 2.539 -1.989) 3.230 11.179 ( 0.560 -3.923 -2.591) 4.735 11.473 ( 0.594 2.817 0.305) 2.895 11.511 ( -2.190 -1.015 0.306) 2.433 11.930 ( -2.411 1.191 4.105) 4.907 11.987 ( -0.571 -5.398 0.667) 5.469 12.168 ( -0.918 3.499 2.351) 4.314 12.228 ( 1.017 -2.291 -0.212) 2.516 12.357 ( 5.093 5.857 0.165) 7.763 12.407 ( 3.681 0.365 3.242) 4.918 12.448 ( 1.443 3.600 2.312) 4.515 12.513 ( -1.099 -3.006 0.384) 3.224 12.647 ( 0.200 4.730 0.019) 4.734 12.730 ( 1.464 -2.035 -2.314) 3.411 12.819 ( 3.015 -3.678 0.537) 4.786 12.839 ( 2.761 -3.799 0.156) 4.699 12.974 ( -1.722 9.037 -0.518) 9.214 13.087 ( -1.887 0.538 -0.156) 1.968 13.109 ( 0.030 -1.957 2.401) 3.098 13.153 ( -0.996 -8.210 -0.980) 8.328 13.300 ( 0.367 4.799 2.647) 5.492 13.370 ( 6.478 0.350 0.600) 6.516 13.406 ( -8.709 -0.148 1.659) 8.867 13.451 ( -0.938 -0.585 2.591) 2.817 13.571 ( -2.485 0.659 0.056) 2.571 13.599 ( 5.058 -2.775 2.326) 6.221 13.831 ( 3.232 3.978 -4.260) 6.665 13.929 ( 3.787 -6.724 -5.762) 9.631 14.069 ( 1.269 6.610 0.740) 6.771 14.206 ( -1.199 -8.805 1.254) 8.974 14.565 ( 0.035 8.408 -1.507) 8.542 14.625 ( -1.224 4.899 1.392) 5.238 14.681 ( 2.211 0.689 -1.449) 2.732 14.749 ( 1.764 -5.237 2.830) 6.208 14.889 ( -1.050 5.868 -3.963) 7.158 14.966 ( 2.235 -2.873 -3.013) 4.725 15.299 ( 3.788 7.225 -5.703) 9.953 15.413 ( 1.036 -2.737 -3.417) 4.499 15.466 ( 1.262 3.733 -1.511) 4.221 15.544 ( 1.141 -4.186 -1.851) 4.717 15.689 ( 3.363 6.325 1.633) 7.347 15.812 ( 7.105 -6.667 2.170) 9.982 15.873 ( -5.935 12.359 2.482) 13.933 16.079 ( -6.501 -7.190 1.648) 9.833 16.108 ( -3.880 -0.054 1.695) 4.235 16.155 ( -1.880 -7.474 1.915) 7.942 16.331 ( -1.131 4.127 0.101) 4.281 16.419 ( -0.147 -4.443 -3.067) 5.401 16.682 ( 0.039 3.530 -0.541) 3.571 16.756 ( -2.700 -4.574 -1.833) 5.619 16.934 ( -0.191 2.372 -0.625) 2.460 16.976 ( 0.789 -2.269 0.607) 2.478 19.307 ( -2.043 3.639 2.438) 4.833 19.407 ( 0.446 -6.606 2.373) 7.034 19.497 ( -0.504 7.231 -3.533) 8.064 19.656 ( 1.826 -9.646 -4.209) 10.681 21.068 ( -0.712 6.230 0.500) 6.290 21.165 ( -0.511 -4.300 0.403) 4.349 21.223 ( -3.073 4.352 0.127) 5.329 21.293 ( -2.455 -3.056 1.649) 4.253 25.000 ( -0.915 0.375 3.026) 3.184 25.020 ( -0.584 -2.033 3.845) 4.388 25.379 ( -2.233 1.839 1.437) 3.230 25.414 ( -2.502 -1.916 1.863) 3.661 26.119 ( 0.030 0.906 -2.451) 2.613 26.128 ( 0.164 0.074 -1.775) 1.785 26.237 ( 0.848 1.120 2.500) 2.868 26.251 ( 2.553 0.090 2.450) 3.540 26.581 ( -3.373 3.020 -3.274) 5.587 26.649 ( -0.246 -3.852 -2.233) 4.460 27.095 ( 1.192 4.458 1.328) 4.802 27.174 ( -0.222 -3.911 1.884) 4.347 27.243 ( -4.134 1.026 1.901) 4.664 27.277 ( -4.337 -2.635 1.941) 5.433 27.487 ( -2.372 3.987 1.068) 4.760 27.551 ( -1.702 -2.683 -0.143) 3.181 27.670 ( 0.569 4.851 -1.143) 5.016 27.762 ( 0.947 -4.810 -1.919) 5.265 28.074 ( -0.823 1.447 2.811) 3.267 28.113 ( 0.043 -2.195 3.286) 3.952 28.299 ( 1.463 5.682 -3.268) 6.716 28.330 ( 1.030 4.894 2.077) 5.416 28.379 ( 0.536 -1.756 1.875) 2.624 28.422 ( 0.339 -3.762 -0.226) 3.784 28.541 ( 1.012 0.208 -0.752) 1.278 28.579 ( -0.002 0.532 -0.363) 0.644 28.827 ( 4.661 -0.490 -2.053) 5.117 28.873 ( 5.157 -3.805 -2.967) 7.062 29.238 ( 7.953 4.970 4.859) 10.562 29.341 ( 10.396 -5.375 2.276) 11.922 29.597 ( -0.567 5.784 -5.869) 8.260 29.715 ( -1.889 -6.818 -8.458) 11.027 29.859 ( 0.885 6.546 1.642) 6.806 29.934 ( -2.366 -1.571 2.060) 3.509 30.178 ( -5.322 4.621 4.448) 8.334 30.264 ( -8.667 -5.475 4.895) 11.360 30.721 ( 7.534 0.899 -1.087) 7.665 30.782 ( 6.432 -5.430 -0.050) 8.417 31.134 ( -6.640 7.582 -3.328) 10.614 31.268 ( -8.232 -6.839 -5.489) 12.027 ======================= Grid point 85 (40/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -10.711 0.000 25.318) 27.490 1.399 ( -5.680 0.000 24.348) 25.002 1.591 ( 7.194 0.000 -14.163) 15.885 1.960 ( 7.599 0.000 -19.509) 20.937 2.205 ( 2.321 0.000 28.194) 28.289 2.218 ( 5.650 0.000 1.301) 5.798 2.218 ( 11.557 0.000 12.747) 17.206 2.404 ( -3.162 0.000 1.973) 3.727 2.432 ( 2.811 0.000 -4.802) 5.564 2.496 ( 3.670 0.000 3.474) 5.054 2.600 ( -3.403 0.000 -0.948) 3.532 2.708 ( 0.049 0.000 -0.045) 0.066 2.808 ( -0.946 0.000 5.145) 5.231 2.860 ( 4.072 0.000 6.298) 7.500 2.864 ( -3.703 0.000 -3.650) 5.200 2.981 ( -3.348 0.000 0.775) 3.437 2.992 ( -2.285 0.000 -1.983) 3.026 3.091 ( -2.926 0.000 -10.394) 10.798 3.127 ( 5.888 0.000 0.529) 5.912 3.141 ( -3.677 0.000 -3.568) 5.124 3.325 ( -5.121 0.000 2.841) 5.857 3.346 ( 1.336 0.000 1.607) 2.090 3.527 ( 5.316 0.000 -4.414) 6.909 3.589 ( 0.194 0.000 -8.931) 8.933 3.638 ( 5.845 0.000 3.366) 6.745 3.755 ( -4.299 0.000 -9.069) 10.037 3.877 ( 6.929 0.000 6.690) 9.632 3.950 ( -2.801 0.000 -4.839) 5.591 4.013 ( -0.630 0.000 1.773) 1.881 4.091 ( -0.722 0.000 5.716) 5.762 4.169 ( -3.848 0.000 -7.812) 8.709 4.225 ( -7.004 0.000 -1.381) 7.139 4.345 ( 0.356 0.000 7.037) 7.046 4.407 ( 0.343 0.000 1.002) 1.059 4.515 ( -0.238 0.000 -3.602) 3.610 4.547 ( 1.197 0.000 -1.199) 1.695 4.615 ( -7.326 0.000 1.961) 7.584 4.660 ( 8.275 0.000 2.420) 8.622 4.797 ( 4.612 0.000 2.911) 5.454 4.854 ( -3.372 0.000 -1.382) 3.644 4.922 ( 1.039 0.000 8.421) 8.485 5.006 ( 2.488 0.000 -5.740) 6.256 5.045 ( 0.708 0.000 -1.232) 1.421 5.114 ( 4.461 0.000 -2.271) 5.006 5.121 ( -3.302 0.000 -4.527) 5.603 5.180 ( -7.823 0.000 -8.714) 11.711 5.310 ( -3.043 0.000 4.164) 5.157 5.383 ( 4.219 0.000 -3.772) 5.659 5.424 ( -3.154 0.000 -0.441) 3.184 5.509 ( 0.180 0.000 -7.275) 7.277 5.739 ( -4.057 0.000 1.121) 4.209 5.743 ( 2.528 0.000 1.467) 2.923 5.882 ( 1.150 0.000 3.743) 3.915 5.946 ( 0.457 0.000 0.450) 0.641 5.957 ( -2.722 0.000 0.337) 2.743 5.978 ( 1.818 0.000 -2.758) 3.303 6.064 ( 4.658 0.000 -4.917) 6.773 6.081 ( -4.437 0.000 -4.178) 6.094 6.282 ( 0.586 0.000 1.431) 1.546 6.303 ( 0.513 0.000 -0.976) 1.102 6.426 ( -1.793 0.000 2.300) 2.916 6.450 ( 0.609 0.000 0.702) 0.929 6.618 ( 0.954 0.000 1.732) 1.977 6.643 ( 1.098 0.000 -0.834) 1.379 6.968 ( -2.062 0.000 7.339) 7.623 7.044 ( 4.284 0.000 -0.146) 4.286 7.127 ( 2.036 0.000 7.853) 8.112 7.177 ( -2.768 0.000 -0.494) 2.812 7.209 ( -2.542 0.000 -1.375) 2.889 7.264 ( -0.585 0.000 -4.045) 4.087 7.458 ( 4.562 0.000 1.403) 4.773 7.492 ( -2.200 0.000 -1.487) 2.656 7.798 ( -2.609 0.000 2.893) 3.895 7.801 ( 3.225 0.000 2.651) 4.175 7.956 ( 2.568 0.000 2.999) 3.948 7.988 ( -4.799 0.000 -1.570) 5.049 8.337 ( 1.913 0.000 -5.216) 5.556 8.365 ( 8.954 0.000 -6.700) 11.183 8.523 ( 5.307 0.000 0.380) 5.320 8.534 ( -5.669 0.000 -0.649) 5.706 8.677 ( -3.401 0.000 6.371) 7.222 8.789 ( 0.216 0.000 -4.426) 4.432 8.899 ( -7.359 0.000 1.913) 7.604 8.918 ( -1.520 0.000 1.098) 1.875 9.050 ( 2.605 0.000 -0.300) 2.622 9.055 ( 1.947 0.000 -0.572) 2.029 9.122 ( -2.255 0.000 -1.402) 2.655 9.153 ( 6.323 0.000 -3.843) 7.400 9.363 ( -0.401 0.000 2.111) 2.149 9.393 ( -2.476 0.000 -1.546) 2.919 9.468 ( -0.515 0.000 3.842) 3.877 9.547 ( 2.313 0.000 -3.835) 4.479 9.652 ( -2.064 0.000 8.137) 8.395 9.809 ( -3.531 0.000 -4.550) 5.760 9.905 ( 0.679 0.000 2.164) 2.268 10.009 ( 4.709 0.000 -6.173) 7.764 10.120 ( -0.011 0.000 3.604) 3.604 10.222 ( -0.194 0.000 -5.842) 5.846 10.473 ( -2.348 0.000 2.787) 3.645 10.498 ( -0.996 0.000 1.689) 1.961 10.842 ( -4.158 0.000 3.690) 5.559 10.856 ( 6.297 0.000 4.297) 7.624 10.975 ( -0.084 0.000 -1.307) 1.310 11.039 ( -0.189 0.000 -9.019) 9.021 11.078 ( 2.476 0.000 7.017) 7.441 11.237 ( 4.636 0.000 7.140) 8.513 11.243 ( -2.125 0.000 -9.238) 9.479 11.371 ( -3.512 0.000 -6.058) 7.002 12.065 ( 2.738 0.000 2.433) 3.663 12.099 ( -4.620 0.000 -1.314) 4.803 12.279 ( -3.536 0.000 2.819) 4.522 12.329 ( 3.824 0.000 -1.666) 4.171 12.391 ( 2.736 0.000 2.096) 3.447 12.410 ( -0.125 0.000 0.748) 0.758 12.426 ( 0.675 0.000 1.285) 1.451 12.442 ( -4.005 0.000 -0.773) 4.079 12.530 ( 0.724 0.000 5.664) 5.710 12.682 ( 2.357 0.000 -7.872) 8.217 12.829 ( -0.064 0.000 3.129) 3.130 12.862 ( -2.005 0.000 1.017) 2.248 12.983 ( -6.007 0.000 0.894) 6.073 13.047 ( 9.185 0.000 -3.848) 9.959 13.108 ( 3.120 0.000 -0.577) 3.173 13.145 ( -5.320 0.000 -4.147) 6.745 13.332 ( -7.073 0.000 2.911) 7.649 13.339 ( 2.257 0.000 1.908) 2.955 13.532 ( -0.328 0.000 9.693) 9.699 13.622 ( 0.431 0.000 -1.903) 1.951 13.649 ( -3.522 0.000 5.986) 6.945 13.694 ( 6.966 0.000 2.099) 7.276 13.720 ( -2.650 0.000 -2.257) 3.481 13.899 ( 7.202 0.000 -13.542) 15.338 14.226 ( 4.193 0.000 10.749) 11.538 14.270 ( -0.501 0.000 2.437) 2.488 14.329 ( -4.784 0.000 -1.746) 5.093 14.433 ( 3.788 0.000 -6.182) 7.250 14.480 ( -2.631 0.000 -2.027) 3.322 14.515 ( -1.228 0.000 -3.690) 3.889 14.941 ( 4.056 0.000 1.615) 4.366 14.944 ( -6.720 0.000 1.416) 6.868 15.176 ( 4.155 0.000 3.909) 5.705 15.277 ( -5.412 0.000 -5.061) 7.410 15.364 ( -1.788 0.000 0.112) 1.792 15.379 ( 0.673 0.000 -2.299) 2.395 15.596 ( -0.130 0.000 2.964) 2.967 15.633 ( 0.219 0.000 -0.487) 0.534 16.091 ( -12.945 0.000 1.141) 12.996 16.096 ( 2.372 0.000 -0.627) 2.454 16.182 ( -6.122 0.000 1.653) 6.341 16.263 ( -0.062 0.000 -3.762) 3.763 16.383 ( 7.199 0.000 6.629) 9.786 16.509 ( -3.693 0.000 -5.313) 6.470 16.546 ( 2.749 0.000 2.621) 3.798 16.643 ( 2.918 0.000 -6.225) 6.875 16.832 ( -1.893 0.000 0.899) 2.095 16.836 ( 0.804 0.000 0.560) 0.980 19.177 ( -2.671 0.000 1.995) 3.334 19.231 ( 2.044 0.000 -3.467) 4.025 19.689 ( 0.396 0.000 4.238) 4.257 19.770 ( -0.594 0.000 -3.727) 3.774 20.959 ( -0.244 0.000 3.064) 3.073 21.017 ( -0.213 0.000 -2.668) 2.677 21.370 ( -1.357 0.000 3.508) 3.761 21.441 ( 2.393 0.000 -3.512) 4.250 25.058 ( -0.587 0.000 3.698) 3.745 25.148 ( -0.791 0.000 -5.390) 5.448 25.484 ( 4.226 0.000 4.825) 6.414 25.532 ( -6.450 0.000 0.058) 6.451 25.949 ( -0.770 0.000 -0.136) 0.782 25.986 ( -0.136 0.000 -3.606) 3.609 26.250 ( 0.416 0.000 2.421) 2.457 26.276 ( -0.368 0.000 -0.077) 0.376 26.728 ( 11.999 0.000 3.946) 12.631 26.766 ( -2.397 0.000 0.921) 2.568 27.083 ( 0.463 0.000 0.571) 0.736 27.114 ( -1.889 0.000 -2.797) 3.375 27.165 ( -4.362 0.000 6.246) 7.619 27.288 ( -0.084 0.000 -4.838) 4.838 27.534 ( -2.640 0.000 -0.369) 2.666 27.536 ( 2.688 0.000 -0.647) 2.765 27.542 ( -0.985 0.000 0.785) 1.259 27.591 ( -1.034 0.000 -3.906) 4.040 28.002 ( 4.595 0.000 4.152) 6.193 28.097 ( -3.803 0.000 -5.472) 6.663 28.190 ( -3.762 0.000 -0.064) 3.762 28.202 ( 2.712 0.000 -1.389) 3.047 28.459 ( -2.649 0.000 2.437) 3.600 28.503 ( 5.485 0.000 -2.190) 5.906 28.640 ( 3.403 0.000 2.405) 4.167 28.684 ( -1.291 0.000 -1.766) 2.188 29.081 ( 3.852 0.000 5.447) 6.672 29.148 ( -6.172 0.000 -0.815) 6.225 29.312 ( -11.880 0.000 2.903) 12.230 29.370 ( 4.600 0.000 -2.986) 5.484 29.508 ( 5.618 0.000 -0.836) 5.680 29.522 ( -0.212 0.000 -2.246) 2.256 29.928 ( -9.598 0.000 2.687) 9.967 29.970 ( 14.144 0.000 -1.482) 14.221 30.231 ( -4.643 0.000 7.884) 9.150 30.357 ( 3.921 0.000 -4.646) 6.080 30.755 ( 7.710 0.000 -0.630) 7.736 30.773 ( -8.959 0.000 -2.264) 9.241 31.091 ( -5.651 0.000 2.127) 6.038 31.142 ( 9.725 0.000 -2.688) 10.090 ======================= Grid point 86 (41/63) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -3.189 0.000 18.255) 18.531 1.480 ( -3.911 0.000 16.419) 16.878 1.603 ( 8.902 0.000 -10.181) 13.524 1.724 ( -7.522 0.000 -30.504) 31.417 2.081 ( -9.885 0.000 -7.431) 12.367 2.211 ( -4.755 0.000 -11.108) 12.083 2.353 ( -1.946 0.000 -1.022) 2.198 2.432 ( -2.348 0.000 -1.856) 2.993 2.444 ( -3.829 0.000 0.024) 3.829 2.601 ( 5.698 0.000 -1.769) 5.966 2.704 ( 4.885 0.000 -8.242) 9.581 2.746 ( 5.165 0.000 4.583) 6.905 2.785 ( -0.134 0.000 -4.159) 4.161 2.864 ( 3.216 0.000 9.680) 10.200 2.914 ( 1.868 0.000 -4.850) 5.198 2.943 ( 0.956 0.000 5.429) 5.512 3.016 ( -3.693 0.000 -4.827) 6.077 3.052 ( 5.952 0.000 13.568) 14.816 3.096 ( 5.634 0.000 -2.322) 6.094 3.199 ( 1.833 0.000 1.021) 2.099 3.300 ( -2.256 0.000 6.270) 6.663 3.391 ( 0.876 0.000 1.695) 1.908 3.494 ( 2.463 0.000 -10.919) 11.193 3.628 ( 7.209 0.000 1.125) 7.296 3.637 ( -0.970 0.000 -7.241) 7.305 3.770 ( 5.468 0.000 3.570) 6.530 3.863 ( -2.250 0.000 -5.933) 6.345 3.973 ( 3.098 0.000 2.199) 3.799 3.977 ( -6.042 0.000 -1.063) 6.135 4.087 ( -5.030 0.000 -2.458) 5.599 4.178 ( 6.563 0.000 6.513) 9.246 4.208 ( -0.968 0.000 11.978) 12.017 4.380 ( -1.876 0.000 -1.512) 2.410 4.412 ( 0.623 0.000 2.885) 2.951 4.498 ( 0.549 0.000 -3.223) 3.270 4.500 ( -0.840 0.000 0.823) 1.176 4.593 ( -0.512 0.000 -0.663) 0.838 4.753 ( -4.112 0.000 -3.115) 5.159 4.800 ( 5.719 0.000 -1.490) 5.909 4.867 ( -2.009 0.000 -1.581) 2.557 4.930 ( -1.732 0.000 2.095) 2.718 4.971 ( -2.587 0.000 -2.982) 3.948 5.036 ( 1.059 0.000 -3.979) 4.117 5.065 ( 4.814 0.000 1.680) 5.099 5.104 ( 0.739 0.000 4.787) 4.843 5.198 ( -3.032 0.000 4.631) 5.536 5.285 ( 0.510 0.000 3.864) 3.898 5.379 ( -1.025 0.000 -5.730) 5.821 5.413 ( -2.479 0.000 5.389) 5.932 5.489 ( 4.474 0.000 -1.180) 4.627 5.697 ( -3.304 0.000 1.468) 3.616 5.769 ( -1.014 0.000 1.466) 1.783 5.880 ( -2.238 0.000 -3.294) 3.982 5.921 ( -3.489 0.000 4.529) 5.717 5.942 ( -1.549 0.000 0.356) 1.589 5.951 ( -1.529 0.000 -3.559) 3.873 6.052 ( 5.374 0.000 -1.235) 5.514 6.129 ( 2.429 0.000 1.994) 3.142 6.288 ( -0.472 0.000 -1.042) 1.144 6.311 ( 1.946 0.000 0.172) 1.953 6.429 ( -0.389 0.000 2.110) 2.145 6.466 ( 1.132 0.000 -0.257) 1.161 6.627 ( -1.311 0.000 -2.588) 2.901 6.642 ( 1.812 0.000 -0.597) 1.907 6.930 ( -6.618 0.000 2.747) 7.165 6.978 ( -8.639 0.000 -5.023) 9.993 7.150 ( 0.763 0.000 0.447) 0.884 7.153 ( -2.792 0.000 0.888) 2.930 7.243 ( 2.002 0.000 -1.658) 2.600 7.263 ( 3.612 0.000 4.805) 6.011 7.423 ( -2.883 0.000 -3.314) 4.392 7.513 ( 1.700 0.000 -1.979) 2.609 7.791 ( 0.751 0.000 -1.062) 1.301 7.886 ( 1.908 0.000 -2.339) 3.019 7.898 ( -2.732 0.000 5.316) 5.977 8.018 ( 1.041 0.000 1.877) 2.146 8.333 ( 3.906 0.000 -5.039) 6.375 8.373 ( 1.136 0.000 -7.694) 7.777 8.416 ( -6.245 0.000 -1.159) 6.352 8.595 ( 0.846 0.000 0.011) 0.846 8.659 ( -13.380 0.000 -0.619) 13.395 8.695 ( -2.527 0.000 7.796) 8.195 8.848 ( 2.530 0.000 -0.195) 2.538 8.891 ( -5.783 0.000 5.346) 7.876 8.986 ( -6.377 0.000 -0.886) 6.438 9.061 ( -0.352 0.000 -1.962) 1.993 9.108 ( 3.833 0.000 -4.919) 6.236 9.163 ( -0.957 0.000 1.096) 1.455 9.358 ( -0.675 0.000 -0.212) 0.707 9.364 ( -2.296 0.000 4.989) 5.492 9.563 ( 5.510 0.000 1.740) 5.778 9.565 ( 5.367 0.000 -7.255) 9.024 9.726 ( -1.601 0.000 9.097) 9.237 9.759 ( 2.403 0.000 -2.714) 3.626 9.930 ( 0.372 0.000 1.216) 1.271 10.029 ( 5.732 0.000 -7.273) 9.260 10.156 ( -1.308 0.000 5.167) 5.330 10.168 ( 0.673 0.000 -4.485) 4.536 10.457 ( -6.536 0.000 2.169) 6.886 10.475 ( -0.713 0.000 2.662) 2.755 10.774 ( -0.993 0.000 -3.130) 3.284 10.917 ( -3.630 0.000 3.187) 4.831 10.966 ( 1.316 0.000 -6.517) 6.649 11.021 ( 2.462 0.000 4.498) 5.128 11.096 ( -3.574 0.000 -7.806) 8.585 11.180 ( 0.675 0.000 7.562) 7.592 11.239 ( -4.143 0.000 -6.651) 7.835 11.384 ( 4.327 0.000 6.061) 7.447 12.034 ( -2.171 0.000 0.281) 2.189 12.142 ( 2.377 0.000 1.624) 2.879 12.218 ( -4.828 0.000 0.916) 4.914 12.291 ( -4.197 0.000 -0.898) 4.292 12.396 ( 0.684 0.000 -0.529) 0.864 12.420 ( 1.256 0.000 1.819) 2.210 12.461 ( 3.392 0.000 -3.217) 4.675 12.507 ( 4.270 0.000 -0.127) 4.272 12.608 ( 0.877 0.000 5.983) 6.047 12.651 ( 4.757 0.000 -8.262) 9.534 12.840 ( -0.286 0.000 0.239) 0.372 12.883 ( 1.410 0.000 1.935) 2.394 12.947 ( 1.377 0.000 -0.989) 1.696 13.034 ( -4.229 0.000 1.287) 4.420 13.175 ( 2.288 0.000 0.950) 2.478 13.207 ( 5.531 0.000 3.661) 6.633 13.250 ( 1.248 0.000 -1.534) 1.977 13.334 ( -5.986 0.000 2.074) 6.335 13.563 ( -7.086 0.000 -3.746) 8.015 13.568 ( -8.315 0.000 13.515) 15.868 13.634 ( 1.746 0.000 -5.187) 5.473 13.639 ( 1.610 0.000 -2.593) 3.052 13.778 ( 1.532 0.000 -0.329) 1.567 13.837 ( 1.943 0.000 -9.017) 9.224 14.180 ( -8.884 0.000 -8.388) 12.218 14.312 ( -2.323 0.000 4.058) 4.676 14.362 ( 5.355 0.000 -2.513) 5.915 14.461 ( 6.148 0.000 4.181) 7.435 14.480 ( 0.316 0.000 1.187) 1.228 14.538 ( 6.583 0.000 -0.660) 6.617 14.825 ( -7.839 0.000 1.015) 7.905 14.975 ( -1.848 0.000 2.219) 2.888 15.141 ( -3.218 0.000 -3.073) 4.449 15.283 ( 0.001 0.000 3.815) 3.815 15.377 ( 3.759 0.000 3.615) 5.215 15.406 ( 2.041 0.000 0.338) 2.069 15.596 ( -2.748 0.000 -1.675) 3.218 15.604 ( -0.980 0.000 1.626) 1.898 15.984 ( -7.208 0.000 10.579) 12.801 16.086 ( -4.761 0.000 1.041) 4.873 16.131 ( -4.548 0.000 2.853) 5.369 16.250 ( 3.813 0.000 1.704) 4.176 16.403 ( -4.022 0.000 -5.070) 6.472 16.546 ( 2.515 0.000 2.226) 3.358 16.664 ( 8.758 0.000 3.945) 9.605 16.670 ( 8.318 0.000 -9.346) 12.511 16.866 ( 4.390 0.000 1.256) 4.567 16.909 ( 6.143 0.000 0.525) 6.166 19.191 ( 0.934 0.000 1.840) 2.063 19.274 ( 5.699 0.000 -0.083) 5.699 19.709 ( -1.622 0.000 -4.219) 4.520 19.721 ( -1.843 0.000 4.386) 4.757 21.002 ( 1.271 0.000 -2.823) 3.096 21.007 ( 2.026 0.000 3.429) 3.983 21.342 ( -4.893 0.000 2.043) 5.302 21.394 ( -2.897 0.000 -3.373) 4.446 25.087 ( -1.195 0.000 4.396) 4.556 25.094 ( -0.322 0.000 -2.670) 2.690 25.468 ( -0.981 0.000 -1.512) 1.803 25.632 ( 6.638 0.000 4.039) 7.770 25.954 ( -0.389 0.000 2.502) 2.532 25.968 ( 0.808 0.000 -1.045) 1.321 26.257 ( -0.913 0.000 -1.328) 1.611 26.270 ( -0.170 0.000 1.379) 1.390 26.653 ( -3.876 0.000 -7.768) 8.681 26.856 ( 3.527 0.000 -5.916) 6.888 27.107 ( 1.843 0.000 -1.908) 2.653 27.141 ( 4.149 0.000 2.748) 4.976 27.262 ( 4.990 0.000 9.166) 10.436 27.320 ( 8.956 0.000 -0.824) 8.993 27.475 ( -3.077 0.000 2.369) 3.883 27.538 ( -0.667 0.000 -1.734) 1.858 27.576 ( 0.811 0.000 2.676) 2.796 27.588 ( 1.847 0.000 0.047) 1.848 27.950 ( -6.408 0.000 -5.879) 8.696 28.096 ( 1.523 0.000 4.718) 4.958 28.129 ( -3.862 0.000 1.492) 4.140 28.243 ( 2.038 0.000 -0.525) 2.105 28.397 ( -4.877 0.000 -1.709) 5.168 28.505 ( -0.756 0.000 -2.077) 2.210 28.639 ( -0.545 0.000 -4.644) 4.676 28.703 ( 1.589 0.000 1.011) 1.883 28.981 ( -10.344 0.000 -2.484) 10.638 29.094 ( -8.472 0.000 7.831) 11.537 29.224 ( -5.525 0.000 5.124) 7.535 29.296 ( -14.981 0.000 1.068) 15.019 29.439 ( -3.151 0.000 -4.316) 5.344 29.564 ( 5.999 0.000 -2.219) 6.396 29.871 ( 3.379 0.000 -1.438) 3.672 30.047 ( -1.676 0.000 -2.488) 3.000 30.299 ( 2.817 0.000 8.268) 8.734 30.370 ( 1.748 0.000 -8.252) 8.435 30.620 ( -6.570 0.000 1.604) 6.763 30.933 ( 12.175 0.000 -0.891) 12.207 31.049 ( -0.471 0.000 3.482) 3.514 31.295 ( 12.198 0.000 -8.107) 14.646 ======================= Grid point 87 (42/63) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.030 0.000 -18.761) 18.761 1.466 ( 1.982 0.000 5.275) 5.634 1.622 ( 7.227 0.000 4.492) 8.509 1.706 ( 10.243 0.000 -1.824) 10.404 1.913 ( -3.322 0.000 -0.306) 3.336 1.973 ( -4.238 0.000 -12.083) 12.804 2.217 ( -7.263 0.000 -0.841) 7.312 2.321 ( -10.166 0.000 5.679) 11.645 2.492 ( 2.547 0.000 3.939) 4.691 2.587 ( -5.110 0.000 -4.604) 6.878 2.643 ( -0.114 0.000 -3.269) 3.271 2.759 ( 0.571 0.000 -2.926) 2.981 2.791 ( -2.123 0.000 -1.764) 2.760 2.944 ( -0.277 0.000 2.966) 2.979 2.944 ( 5.346 0.000 -1.865) 5.662 3.028 ( 1.216 0.000 3.735) 3.928 3.048 ( 19.983 0.000 -12.407) 23.521 3.167 ( -1.159 0.000 2.228) 2.511 3.171 ( 7.691 0.000 -3.609) 8.495 3.348 ( 2.688 0.000 5.194) 5.848 3.383 ( -0.269 0.000 9.550) 9.553 3.414 ( 3.970 0.000 3.441) 5.254 3.430 ( 1.482 0.000 -11.333) 11.430 3.619 ( 7.673 0.000 -6.235) 9.887 3.760 ( 5.018 0.000 0.087) 5.018 3.772 ( 0.800 0.000 -4.344) 4.417 3.846 ( -1.357 0.000 3.127) 3.409 3.919 ( -6.841 0.000 7.485) 10.140 4.009 ( 1.433 0.000 -4.706) 4.920 4.075 ( 2.242 0.000 5.836) 6.252 4.216 ( -3.380 0.000 0.535) 3.422 4.242 ( -5.003 0.000 3.294) 5.990 4.401 ( 1.342 0.000 -0.843) 1.585 4.439 ( -0.647 0.000 0.136) 0.661 4.462 ( -3.221 0.000 -0.236) 3.229 4.493 ( -0.582 0.000 -3.874) 3.917 4.561 ( 1.531 0.000 -2.765) 3.160 4.688 ( -0.202 0.000 -0.165) 0.261 4.698 ( -4.799 0.000 -6.810) 8.331 4.842 ( 2.390 0.000 -3.920) 4.591 4.968 ( -0.992 0.000 8.764) 8.820 4.993 ( -1.177 0.000 3.677) 3.861 5.087 ( -4.946 0.000 0.738) 5.001 5.091 ( 0.575 0.000 -2.281) 2.352 5.137 ( 7.849 0.000 -2.946) 8.384 5.177 ( -2.657 0.000 4.780) 5.469 5.309 ( -3.955 0.000 1.331) 4.173 5.370 ( 3.868 0.000 2.703) 4.719 5.422 ( -3.259 0.000 5.510) 6.402 5.553 ( 1.798 0.000 -0.184) 1.808 5.642 ( -4.099 0.000 1.736) 4.452 5.733 ( -3.602 0.000 1.045) 3.750 5.797 ( -4.658 0.000 -1.281) 4.831 5.855 ( -3.264 0.000 0.145) 3.267 5.953 ( 1.134 0.000 2.803) 3.023 5.965 ( 1.318 0.000 0.847) 1.567 6.087 ( -0.362 0.000 -1.939) 1.972 6.135 ( -2.625 0.000 -0.117) 2.627 6.289 ( 1.122 0.000 -0.033) 1.123 6.377 ( 3.869 0.000 2.486) 4.598 6.447 ( 0.301 0.000 1.415) 1.447 6.497 ( 2.109 0.000 0.467) 2.160 6.562 ( -2.323 0.000 -2.083) 3.121 6.691 ( 3.878 0.000 0.527) 3.913 6.772 ( -7.852 0.000 -4.821) 9.214 6.830 ( -5.741 0.000 0.157) 5.743 7.120 ( -2.264 0.000 1.511) 2.722 7.152 ( 0.226 0.000 -0.438) 0.493 7.293 ( 1.503 0.000 -2.350) 2.790 7.348 ( 1.949 0.000 2.563) 3.220 7.351 ( 0.839 0.000 -0.301) 0.891 7.472 ( -0.854 0.000 -5.895) 5.957 7.782 ( 0.972 0.000 -5.134) 5.225 7.854 ( -1.088 0.000 0.284) 1.125 7.950 ( 0.057 0.000 1.377) 1.378 8.035 ( 1.434 0.000 -1.502) 2.076 8.294 ( -6.999 0.000 0.063) 6.999 8.319 ( -2.857 0.000 1.731) 3.341 8.358 ( -0.442 0.000 -5.040) 5.059 8.389 ( -10.263 0.000 -0.259) 10.266 8.554 ( -2.553 0.000 -2.779) 3.774 8.751 ( -0.745 0.000 4.900) 4.956 8.766 ( -9.074 0.000 2.136) 9.322 8.915 ( -2.153 0.000 1.043) 2.392 8.931 ( 3.750 0.000 2.118) 4.307 9.012 ( -2.609 0.000 -0.284) 2.624 9.165 ( 7.177 0.000 -3.587) 8.024 9.196 ( -0.917 0.000 6.492) 6.557 9.349 ( 0.818 0.000 -1.378) 1.603 9.393 ( -1.337 0.000 6.535) 6.670 9.593 ( 6.302 0.000 -7.381) 9.705 9.601 ( -2.510 0.000 -0.711) 2.609 9.775 ( -0.524 0.000 5.131) 5.158 9.802 ( 4.211 0.000 -1.766) 4.566 9.956 ( 0.908 0.000 2.752) 2.898 10.034 ( 1.151 0.000 -4.125) 4.282 10.145 ( -6.133 0.000 4.572) 7.650 10.199 ( 7.873 0.000 -4.047) 8.852 10.381 ( -2.331 0.000 2.087) 3.128 10.498 ( 0.348 0.000 2.587) 2.610 10.765 ( 2.864 0.000 -3.992) 4.913 10.848 ( -5.385 0.000 -0.546) 5.412 10.909 ( -1.712 0.000 -2.779) 3.264 11.026 ( 1.023 0.000 -1.130) 1.524 11.126 ( 2.624 0.000 6.651) 7.150 11.141 ( -0.810 0.000 -2.355) 2.490 11.254 ( -0.296 0.000 6.451) 6.458 11.487 ( 0.754 0.000 4.237) 4.303 12.017 ( -0.700 0.000 0.358) 0.787 12.118 ( -3.530 0.000 -2.061) 4.088 12.158 ( -1.713 0.000 -0.461) 1.773 12.268 ( 1.027 0.000 -0.606) 1.193 12.385 ( -0.436 0.000 -3.802) 3.827 12.442 ( 0.726 0.000 -5.891) 5.936 12.466 ( 1.444 0.000 1.047) 1.784 12.529 ( 2.426 0.000 -5.613) 6.115 12.648 ( -0.595 0.000 -0.785) 0.985 12.681 ( 4.840 0.000 -5.399) 7.251 12.864 ( -1.486 0.000 -2.214) 2.667 12.874 ( 2.939 0.000 1.998) 3.553 12.981 ( 3.775 0.000 -1.367) 4.015 13.049 ( -2.805 0.000 7.330) 7.848 13.110 ( -5.967 0.000 4.606) 7.538 13.223 ( -6.986 0.000 1.192) 7.088 13.269 ( -4.677 0.000 -1.809) 5.015 13.345 ( 3.265 0.000 -0.259) 3.275 13.466 ( 4.123 0.000 3.804) 5.610 13.578 ( 1.516 0.000 0.818) 1.723 13.650 ( -0.333 0.000 5.440) 5.451 13.663 ( 4.654 0.000 -3.516) 5.833 13.765 ( -0.158 0.000 -3.071) 3.075 13.832 ( 4.054 0.000 -2.670) 4.855 13.975 ( -4.794 0.000 -5.516) 7.309 14.220 ( -7.964 0.000 2.472) 8.339 14.347 ( -4.429 0.000 -6.358) 7.749 14.516 ( -0.006 0.000 -1.030) 1.030 14.605 ( 9.982 0.000 4.298) 10.868 14.613 ( -3.749 0.000 -0.575) 3.792 14.806 ( 7.767 0.000 1.158) 7.852 14.913 ( -7.185 0.000 0.042) 7.185 15.124 ( 0.739 0.000 2.561) 2.665 15.288 ( -0.451 0.000 1.346) 1.420 15.448 ( 2.215 0.000 0.370) 2.246 15.489 ( 0.684 0.000 5.191) 5.236 15.531 ( -2.465 0.000 -1.066) 2.685 15.619 ( 1.061 0.000 1.988) 2.253 15.945 ( -8.085 0.000 6.389) 10.305 16.035 ( -7.343 0.000 1.166) 7.435 16.098 ( 1.495 0.000 5.289) 5.496 16.279 ( -4.089 0.000 -3.207) 5.196 16.342 ( 3.993 0.000 -0.157) 3.996 16.540 ( -2.853 0.000 -1.043) 3.037 16.723 ( 9.297 0.000 -10.481) 14.010 16.847 ( 5.699 0.000 5.931) 8.225 16.971 ( 3.055 0.000 3.546) 4.680 17.034 ( 6.922 0.000 0.873) 6.977 19.231 ( 1.507 0.000 1.783) 2.335 19.402 ( 4.082 0.000 4.102) 5.787 19.648 ( -0.022 0.000 -3.084) 3.084 19.711 ( -4.075 0.000 4.092) 5.775 20.992 ( 1.255 0.000 -3.367) 3.593 21.087 ( 2.223 0.000 3.924) 4.510 21.273 ( -3.475 0.000 0.717) 3.549 21.301 ( -3.751 0.000 -2.378) 4.441 25.077 ( 0.519 0.000 -1.699) 1.776 25.092 ( -2.327 0.000 2.484) 3.404 25.446 ( 1.011 0.000 -3.249) 3.403 25.720 ( 0.973 0.000 -2.484) 2.667 25.972 ( -0.773 0.000 3.185) 3.278 25.995 ( 1.654 0.000 2.107) 2.678 26.224 ( -0.691 0.000 -2.283) 2.385 26.272 ( -1.326 0.000 0.838) 1.569 26.577 ( 3.152 0.000 -3.873) 4.993 26.819 ( 1.656 0.000 -7.407) 7.590 27.089 ( 1.236 0.000 -5.123) 5.269 27.235 ( 3.838 0.000 1.583) 4.151 27.441 ( 5.220 0.000 -0.536) 5.248 27.483 ( -0.220 0.000 3.999) 4.005 27.527 ( 9.587 0.000 1.896) 9.772 27.576 ( -1.144 0.000 4.437) 4.582 27.588 ( 3.901 0.000 3.140) 5.008 27.610 ( 0.266 0.000 4.381) 4.389 27.792 ( -4.717 0.000 -4.116) 6.260 28.089 ( -3.394 0.000 3.523) 4.892 28.128 ( -1.577 0.000 0.252) 1.597 28.229 ( -1.442 0.000 -1.716) 2.241 28.326 ( 0.688 0.000 -2.092) 2.203 28.471 ( -1.126 0.000 -1.411) 1.805 28.579 ( 0.240 0.000 -5.181) 5.187 28.704 ( -1.468 0.000 -0.970) 1.759 28.785 ( -8.452 0.000 -2.245) 8.746 29.009 ( -9.491 0.000 5.750) 11.097 29.027 ( -15.779 0.000 5.003) 16.553 29.160 ( -7.653 0.000 7.548) 10.749 29.363 ( -1.055 0.000 -4.983) 5.093 29.660 ( 6.196 0.000 -2.543) 6.698 29.903 ( 3.288 0.000 -6.196) 7.014 29.982 ( -2.378 0.000 -1.793) 2.978 30.266 ( -1.717 0.000 -8.250) 8.426 30.397 ( -3.012 0.000 10.064) 10.505 30.614 ( -0.356 0.000 9.287) 9.294 31.108 ( 12.057 0.000 -7.079) 13.981 31.138 ( 2.250 0.000 7.110) 7.458 31.384 ( 9.401 0.000 -10.953) 14.434 ======================= Grid point 88 (43/63) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 26.064 0.000 10.917) 28.258 1.620 ( 5.219 0.000 8.690) 10.137 1.757 ( 6.602 0.000 -2.433) 7.036 1.914 ( 14.578 0.000 -1.402) 14.645 1.953 ( 6.310 0.000 5.804) 8.573 1.986 ( 6.286 0.000 7.207) 9.563 2.149 ( -1.001 0.000 1.249) 1.601 2.208 ( -13.300 0.000 10.020) 16.653 2.488 ( -1.732 0.000 1.824) 2.515 2.558 ( -1.201 0.000 5.148) 5.287 2.633 ( 1.950 0.000 -0.920) 2.156 2.723 ( -1.190 0.000 -4.006) 4.179 2.727 ( -3.156 0.000 -1.461) 3.478 2.924 ( -2.796 0.000 -0.488) 2.838 3.030 ( -2.822 0.000 -0.523) 2.870 3.049 ( 5.521 0.000 5.593) 7.859 3.198 ( 0.973 0.000 4.337) 4.445 3.247 ( 1.311 0.000 -1.563) 2.040 3.301 ( 4.812 0.000 -6.471) 8.064 3.329 ( 13.364 0.000 -16.176) 20.982 3.351 ( -3.645 0.000 4.444) 5.747 3.467 ( 6.169 0.000 5.923) 8.552 3.550 ( 5.669 0.000 0.833) 5.730 3.718 ( -2.845 0.000 -10.569) 10.945 3.736 ( 8.014 0.000 -1.986) 8.256 3.814 ( 4.318 0.000 -1.151) 4.469 3.845 ( -3.253 0.000 3.677) 4.910 3.887 ( -2.170 0.000 5.112) 5.554 4.005 ( 2.879 0.000 -5.823) 6.496 4.120 ( -6.894 0.000 8.471) 10.921 4.136 ( -5.268 0.000 -4.818) 7.138 4.164 ( -1.403 0.000 -1.965) 2.414 4.330 ( -3.868 0.000 -6.636) 7.681 4.342 ( -3.224 0.000 -0.546) 3.270 4.394 ( -2.074 0.000 -7.620) 7.898 4.468 ( -2.747 0.000 3.214) 4.228 4.554 ( 0.285 0.000 -2.632) 2.648 4.574 ( -2.785 0.000 -4.490) 5.284 4.710 ( 1.300 0.000 -1.446) 1.945 4.848 ( 3.720 0.000 -6.549) 7.531 4.951 ( -7.104 0.000 1.854) 7.342 4.955 ( -5.667 0.000 1.673) 5.909 5.054 ( -0.266 0.000 -0.822) 0.864 5.091 ( 0.473 0.000 4.558) 4.582 5.167 ( -6.318 0.000 2.306) 6.726 5.223 ( 5.504 0.000 -6.861) 8.796 5.243 ( 0.110 0.000 5.363) 5.364 5.415 ( -1.817 0.000 3.612) 4.043 5.485 ( 1.167 0.000 5.778) 5.895 5.517 ( -1.768 0.000 -2.185) 2.811 5.612 ( -2.687 0.000 3.568) 4.467 5.715 ( -0.097 0.000 -0.530) 0.538 5.721 ( -2.868 0.000 -0.408) 2.897 5.807 ( -2.637 0.000 -1.430) 3.000 6.001 ( 1.071 0.000 -1.535) 1.872 6.011 ( 0.336 0.000 6.071) 6.081 6.054 ( 1.145 0.000 3.613) 3.790 6.086 ( 0.613 0.000 -4.149) 4.194 6.296 ( 0.241 0.000 -1.852) 1.868 6.426 ( -1.127 0.000 -0.365) 1.185 6.490 ( -1.948 0.000 -1.390) 2.393 6.499 ( 2.461 0.000 5.166) 5.722 6.559 ( 1.324 0.000 1.055) 1.693 6.602 ( -6.474 0.000 -3.985) 7.602 6.765 ( -2.142 0.000 1.615) 2.683 6.776 ( 2.079 0.000 2.416) 3.188 7.110 ( 0.297 0.000 0.009) 0.298 7.153 ( -3.161 0.000 2.092) 3.791 7.239 ( 2.558 0.000 -4.039) 4.781 7.376 ( -2.127 0.000 3.552) 4.141 7.414 ( 1.965 0.000 -6.279) 6.580 7.461 ( 5.526 0.000 3.404) 6.490 7.709 ( -0.439 0.000 -9.173) 9.184 7.829 ( -2.262 0.000 -1.911) 2.962 7.931 ( -0.532 0.000 -0.811) 0.970 8.049 ( 0.296 0.000 -1.367) 1.399 8.157 ( -4.249 0.000 -5.094) 6.633 8.182 ( -7.725 0.000 2.774) 8.208 8.313 ( -2.560 0.000 5.450) 6.021 8.396 ( 1.621 0.000 -2.145) 2.688 8.510 ( 1.237 0.000 -1.914) 2.279 8.602 ( -7.488 0.000 0.235) 7.491 8.850 ( 2.332 0.000 5.835) 6.284 8.914 ( 1.518 0.000 0.154) 1.526 8.966 ( -3.370 0.000 3.597) 4.929 8.997 ( 0.687 0.000 0.756) 1.021 9.222 ( -3.838 0.000 5.387) 6.615 9.257 ( 6.190 0.000 -2.215) 6.575 9.367 ( 2.244 0.000 0.004) 2.244 9.432 ( -1.730 0.000 5.459) 5.726 9.516 ( -4.881 0.000 -0.455) 4.902 9.616 ( 3.838 0.000 -6.327) 7.400 9.798 ( -0.631 0.000 1.551) 1.674 9.844 ( 3.457 0.000 -3.961) 5.258 10.014 ( -2.171 0.000 7.574) 7.879 10.020 ( 0.808 0.000 -0.734) 1.092 10.105 ( 0.748 0.000 2.213) 2.336 10.296 ( 6.735 0.000 -4.722) 8.226 10.410 ( 0.972 0.000 4.195) 4.306 10.534 ( 0.214 0.000 2.743) 2.752 10.748 ( -4.464 0.000 0.024) 4.464 10.768 ( 2.117 0.000 -4.030) 4.552 10.911 ( 2.332 0.000 2.318) 3.287 11.067 ( 3.606 0.000 0.991) 3.740 11.172 ( 3.662 0.000 2.560) 4.468 11.215 ( -0.246 0.000 5.409) 5.415 11.282 ( -2.727 0.000 2.605) 3.771 11.465 ( -6.037 0.000 0.080) 6.037 11.998 ( -1.578 0.000 -0.029) 1.578 12.044 ( -1.952 0.000 -2.854) 3.458 12.165 ( 2.631 0.000 -0.595) 2.697 12.248 ( -0.987 0.000 -3.309) 3.453 12.327 ( 2.581 0.000 -6.949) 7.413 12.408 ( 1.733 0.000 -4.604) 4.920 12.462 ( -1.442 0.000 -2.617) 2.988 12.508 ( 2.133 0.000 -5.694) 6.080 12.583 ( -2.626 0.000 -4.191) 4.945 12.630 ( -4.857 0.000 -5.159) 7.086 12.864 ( 1.687 0.000 1.731) 2.417 12.944 ( 1.042 0.000 2.607) 2.807 12.987 ( -2.847 0.000 -1.903) 3.425 13.042 ( 1.821 0.000 -0.936) 2.047 13.134 ( -3.042 0.000 2.234) 3.775 13.140 ( -1.817 0.000 7.155) 7.382 13.189 ( 0.286 0.000 -1.671) 1.696 13.320 ( -6.467 0.000 4.065) 7.638 13.586 ( -0.399 0.000 0.366) 0.541 13.638 ( 6.620 0.000 5.037) 8.319 13.695 ( 2.057 0.000 -2.284) 3.074 13.732 ( 1.492 0.000 -2.929) 3.288 13.803 ( 6.954 0.000 5.523) 8.880 13.911 ( 5.683 0.000 1.064) 5.782 13.925 ( 3.602 0.000 -1.321) 3.836 14.140 ( -5.250 0.000 4.258) 6.760 14.166 ( -7.818 0.000 -4.917) 9.236 14.457 ( -4.138 0.000 -3.461) 5.395 14.526 ( -1.046 0.000 -4.979) 5.088 14.736 ( -9.191 0.000 -3.556) 9.855 14.822 ( 7.814 0.000 3.714) 8.652 14.950 ( 5.462 0.000 1.012) 5.555 15.187 ( 2.260 0.000 5.170) 5.643 15.307 ( 0.749 0.000 1.733) 1.888 15.447 ( -1.230 0.000 -2.310) 2.617 15.497 ( -2.673 0.000 2.123) 3.413 15.529 ( 2.020 0.000 0.956) 2.235 15.634 ( -4.403 0.000 2.163) 4.905 15.850 ( -2.597 0.000 -3.345) 4.234 15.914 ( -6.847 0.000 -0.617) 6.875 16.192 ( 1.861 0.000 6.429) 6.693 16.252 ( -0.639 0.000 5.612) 5.649 16.378 ( 1.550 0.000 -2.141) 2.643 16.460 ( -3.294 0.000 -2.179) 3.950 16.781 ( 8.766 0.000 -8.814) 12.431 16.942 ( -2.421 0.000 3.146) 3.970 17.042 ( 3.753 0.000 2.795) 4.680 17.142 ( 4.152 0.000 0.489) 4.180 19.277 ( 1.811 0.000 1.649) 2.449 19.419 ( -2.828 0.000 -0.532) 2.877 19.673 ( 2.564 0.000 0.769) 2.677 19.674 ( -4.595 0.000 4.032) 6.113 20.998 ( 3.279 0.000 -2.227) 3.964 21.118 ( -3.151 0.000 2.052) 3.760 21.254 ( -0.569 0.000 1.852) 1.937 21.256 ( 0.685 0.000 0.009) 0.685 25.065 ( -1.908 0.000 -0.041) 1.909 25.065 ( -0.098 0.000 -1.660) 1.663 25.441 ( 1.975 0.000 -2.589) 3.256 25.637 ( -2.496 0.000 -7.969) 8.350 26.005 ( 0.205 0.000 4.203) 4.208 26.057 ( 1.614 0.000 4.022) 4.333 26.189 ( -0.266 0.000 -3.088) 3.099 26.238 ( -2.211 0.000 -0.790) 2.348 26.642 ( 3.860 0.000 1.394) 4.104 26.783 ( 1.807 0.000 -5.757) 6.034 27.082 ( 4.056 0.000 -4.165) 5.814 27.282 ( -0.048 0.000 -1.110) 1.111 27.474 ( 2.074 0.000 -1.360) 2.480 27.515 ( -1.329 0.000 -2.513) 2.842 27.519 ( -0.668 0.000 3.256) 3.324 27.537 ( -4.201 0.000 1.320) 4.403 27.666 ( -3.377 0.000 0.755) 3.460 27.713 ( 1.753 0.000 -0.453) 1.811 27.819 ( 9.413 0.000 1.679) 9.562 28.100 ( -0.669 0.000 5.911) 5.949 28.105 ( -5.935 0.000 0.150) 5.936 28.223 ( 4.298 0.000 2.839) 5.151 28.351 ( 3.899 0.000 0.307) 3.911 28.432 ( -0.502 0.000 -2.036) 2.097 28.572 ( 2.903 0.000 -2.368) 3.746 28.644 ( -3.825 0.000 -1.454) 4.092 28.665 ( -2.365 0.000 -2.860) 3.711 28.881 ( -9.878 0.000 2.296) 10.141 28.910 ( -7.043 0.000 11.174) 13.209 29.153 ( -4.614 0.000 12.196) 13.039 29.280 ( -1.044 0.000 -7.865) 7.934 29.668 ( 3.436 0.000 -13.295) 13.731 29.898 ( 0.237 0.000 0.302) 0.384 29.936 ( -0.946 0.000 -1.544) 1.811 30.212 ( 3.588 0.000 -3.125) 4.758 30.392 ( -8.377 0.000 8.704) 12.080 30.758 ( 1.626 0.000 14.255) 14.347 31.196 ( 8.917 0.000 -11.534) 14.579 31.208 ( -3.034 0.000 7.024) 7.651 31.409 ( 7.655 0.000 -12.646) 14.783 ======================= Grid point 89 (44/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -6.583 0.000 6.260) 9.084 1.825 ( 3.190 0.000 -2.949) 4.344 1.949 ( 18.040 0.000 10.996) 21.127 2.052 ( 2.067 0.000 -2.626) 3.342 2.082 ( -2.040 0.000 3.444) 4.003 2.168 ( 6.198 0.000 -5.543) 8.316 2.235 ( 8.740 0.000 10.561) 13.708 2.256 ( 10.505 0.000 14.024) 17.522 2.479 ( -7.673 0.000 -7.410) 10.667 2.503 ( -2.049 0.000 -5.419) 5.794 2.635 ( -0.796 0.000 2.084) 2.230 2.660 ( -0.458 0.000 -1.565) 1.631 2.738 ( 4.155 0.000 7.142) 8.263 2.902 ( -1.029 0.000 -4.076) 4.204 2.920 ( -5.635 0.000 1.519) 5.836 3.094 ( -2.188 0.000 -11.422) 11.629 3.231 ( 2.888 0.000 11.342) 11.704 3.235 ( -5.379 0.000 6.514) 8.448 3.298 ( -3.109 0.000 -0.436) 3.139 3.309 ( -7.062 0.000 3.955) 8.094 3.415 ( 4.372 0.000 0.454) 4.395 3.498 ( -11.851 0.000 -6.228) 13.388 3.626 ( 2.528 0.000 -3.330) 4.181 3.670 ( 5.003 0.000 -4.209) 6.538 3.777 ( -6.999 0.000 5.368) 8.821 3.778 ( -0.227 0.000 9.544) 9.547 3.906 ( 9.318 0.000 -3.340) 9.898 3.927 ( 3.033 0.000 -1.679) 3.467 3.973 ( 2.002 0.000 -8.382) 8.618 4.027 ( -7.889 0.000 3.856) 8.781 4.063 ( 0.181 0.000 2.604) 2.610 4.128 ( 0.565 0.000 -5.845) 5.872 4.181 ( -4.905 0.000 -10.583) 11.664 4.271 ( 7.677 0.000 -9.969) 12.583 4.414 ( 5.508 0.000 3.116) 6.328 4.445 ( -3.978 0.000 2.586) 4.745 4.523 ( -0.227 0.000 -3.067) 3.075 4.526 ( 0.317 0.000 -1.472) 1.506 4.702 ( -1.467 0.000 2.264) 2.698 4.783 ( -7.634 0.000 -3.500) 8.398 4.875 ( -1.118 0.000 0.695) 1.317 4.906 ( 4.564 0.000 -2.428) 5.170 5.074 ( -3.975 0.000 1.649) 4.303 5.093 ( 4.660 0.000 -0.262) 4.668 5.111 ( -2.644 0.000 3.183) 4.138 5.208 ( 1.783 0.000 -5.935) 6.197 5.375 ( 4.753 0.000 5.897) 7.574 5.437 ( -2.048 0.000 -1.887) 2.784 5.473 ( 2.266 0.000 6.875) 7.239 5.564 ( 1.447 0.000 -0.308) 1.480 5.595 ( -2.910 0.000 2.470) 3.817 5.657 ( -3.083 0.000 -4.731) 5.647 5.710 ( 1.893 0.000 1.075) 2.177 5.743 ( -1.760 0.000 -1.573) 2.361 5.985 ( 0.255 0.000 0.557) 0.613 6.045 ( 0.979 0.000 -2.569) 2.749 6.124 ( 3.245 0.000 4.728) 5.735 6.202 ( 2.637 0.000 4.441) 5.165 6.268 ( 2.242 0.000 -1.039) 2.471 6.353 ( -7.843 0.000 -2.403) 8.203 6.437 ( -1.674 0.000 -1.197) 2.058 6.459 ( -1.130 0.000 -4.285) 4.432 6.577 ( -0.771 0.000 4.154) 4.225 6.597 ( 1.854 0.000 1.439) 2.347 6.784 ( 0.720 0.000 2.841) 2.931 6.801 ( -0.302 0.000 0.810) 0.864 7.088 ( -3.183 0.000 -0.203) 3.189 7.129 ( 3.148 0.000 -2.324) 3.913 7.323 ( 5.256 0.000 1.577) 5.487 7.360 ( -2.852 0.000 -0.759) 2.952 7.419 ( 2.506 0.000 2.019) 3.219 7.498 ( -3.649 0.000 -2.201) 4.262 7.684 ( 7.188 0.000 -3.168) 7.855 7.710 ( -6.825 0.000 -4.286) 8.060 7.963 ( -6.057 0.000 0.401) 6.070 7.975 ( 6.091 0.000 -0.514) 6.112 8.076 ( -7.560 0.000 2.296) 7.901 8.177 ( 9.577 0.000 -7.340) 12.066 8.326 ( -2.017 0.000 4.880) 5.281 8.403 ( 2.795 0.000 -2.748) 3.920 8.515 ( -4.518 0.000 2.183) 5.017 8.547 ( 3.850 0.000 -0.641) 3.903 8.921 ( 1.594 0.000 1.786) 2.394 8.931 ( -3.184 0.000 0.693) 3.259 8.974 ( 3.610 0.000 1.542) 3.926 9.000 ( -0.796 0.000 -0.149) 0.810 9.186 ( -6.065 0.000 6.276) 8.728 9.314 ( 3.036 0.000 -3.058) 4.309 9.415 ( 1.542 0.000 2.271) 2.745 9.442 ( -3.999 0.000 6.730) 7.829 9.452 ( -0.935 0.000 -1.365) 1.654 9.599 ( 1.729 0.000 -5.934) 6.181 9.796 ( -1.204 0.000 1.477) 1.905 9.848 ( 2.255 0.000 -4.264) 4.823 10.025 ( -0.953 0.000 2.262) 2.455 10.054 ( 4.063 0.000 -0.943) 4.171 10.186 ( 0.593 0.000 5.810) 5.840 10.302 ( -0.251 0.000 -5.320) 5.326 10.480 ( 1.231 0.000 4.948) 5.099 10.535 ( -1.903 0.000 0.004) 1.903 10.706 ( -1.799 0.000 1.340) 2.243 10.763 ( 2.156 0.000 -3.893) 4.450 11.042 ( 6.623 0.000 7.525) 10.025 11.164 ( -9.056 0.000 -0.633) 9.078 11.173 ( 5.793 0.000 3.314) 6.674 11.226 ( -2.333 0.000 -3.722) 4.393 11.289 ( 5.900 0.000 3.298) 6.760 11.323 ( -7.930 0.000 -1.243) 8.027 11.980 ( -0.029 0.000 -0.153) 0.156 12.004 ( 0.997 0.000 -2.628) 2.810 12.190 ( -2.501 0.000 -0.849) 2.641 12.205 ( 1.951 0.000 -0.329) 1.978 12.364 ( -6.602 0.000 -3.389) 7.421 12.387 ( 5.959 0.000 -0.161) 5.961 12.398 ( 3.436 0.000 -4.453) 5.624 12.443 ( -4.737 0.000 -5.127) 6.980 12.512 ( -1.520 0.000 -1.450) 2.100 12.521 ( 0.600 0.000 -2.223) 2.302 12.904 ( -1.603 0.000 5.227) 5.468 12.924 ( -5.296 0.000 1.955) 5.645 12.986 ( 5.930 0.000 -3.963) 7.132 12.993 ( -1.542 0.000 -3.196) 3.549 13.158 ( -2.349 0.000 3.989) 4.629 13.206 ( 5.379 0.000 1.218) 5.515 13.233 ( 4.861 0.000 0.071) 4.861 13.246 ( -5.293 0.000 2.210) 5.736 13.579 ( -4.160 0.000 5.698) 7.055 13.681 ( -1.869 0.000 -0.676) 1.988 13.733 ( 0.903 0.000 -1.149) 1.462 13.742 ( 2.489 0.000 0.708) 2.588 13.911 ( 4.707 0.000 -1.866) 5.064 13.932 ( -5.613 0.000 -8.578) 10.251 14.039 ( -1.398 0.000 5.835) 6.000 14.087 ( 9.048 0.000 3.356) 9.651 14.193 ( 3.027 0.000 7.676) 8.251 14.338 ( -2.577 0.000 -6.622) 7.106 14.483 ( 1.713 0.000 -2.790) 3.274 14.538 ( -5.637 0.000 -5.939) 8.188 14.950 ( 2.282 0.000 2.750) 3.574 14.994 ( -0.047 0.000 -1.695) 1.696 15.314 ( 3.522 0.000 7.730) 8.495 15.339 ( -0.787 0.000 3.415) 3.504 15.405 ( 0.795 0.000 -2.535) 2.657 15.433 ( -5.066 0.000 -3.308) 6.050 15.537 ( -4.726 0.000 2.190) 5.208 15.578 ( 3.185 0.000 -0.191) 3.191 15.799 ( -5.104 0.000 -0.996) 5.201 15.849 ( 5.669 0.000 -3.685) 6.761 16.274 ( 0.254 0.000 5.712) 5.717 16.325 ( 0.866 0.000 7.164) 7.217 16.346 ( -3.065 0.000 -0.528) 3.110 16.413 ( 0.856 0.000 -3.986) 4.077 16.854 ( 7.083 0.000 -3.733) 8.006 16.854 ( -6.969 0.000 -1.913) 7.227 17.130 ( 1.713 0.000 2.933) 3.396 17.171 ( -0.505 0.000 -1.244) 1.342 19.328 ( 2.282 0.000 1.644) 2.813 19.356 ( -2.627 0.000 -1.379) 2.967 19.649 ( -2.794 0.000 4.306) 5.133 19.711 ( 2.462 0.000 -1.390) 2.827 21.054 ( -4.526 0.000 0.071) 4.526 21.058 ( 4.889 0.000 -0.585) 4.924 21.268 ( -0.764 0.000 1.983) 2.125 21.281 ( 0.632 0.000 0.551) 0.839 25.039 ( -0.718 0.000 -0.158) 0.736 25.043 ( -0.695 0.000 -0.896) 1.134 25.463 ( 1.905 0.000 0.084) 1.907 25.517 ( -3.135 0.000 -5.645) 6.457 26.055 ( 0.268 0.000 4.742) 4.750 26.119 ( 0.976 0.000 2.251) 2.453 26.155 ( 0.326 0.000 -2.171) 2.195 26.190 ( -1.597 0.000 -2.005) 2.563 26.705 ( 1.867 0.000 0.949) 2.095 26.759 ( 1.347 0.000 -4.913) 5.094 27.152 ( 6.404 0.000 -0.454) 6.420 27.185 ( -6.978 0.000 -3.807) 7.948 27.474 ( -4.143 0.000 1.527) 4.416 27.494 ( 1.453 0.000 -0.405) 1.508 27.517 ( -2.650 0.000 1.235) 2.924 27.523 ( 2.690 0.000 -0.153) 2.694 27.620 ( -3.790 0.000 4.062) 5.555 27.712 ( 1.591 0.000 -2.902) 3.309 27.961 ( -8.661 0.000 -0.157) 8.663 27.981 ( 8.160 0.000 -0.088) 8.161 28.169 ( 1.135 0.000 5.889) 5.997 28.258 ( 0.277 0.000 -3.140) 3.152 28.446 ( 2.433 0.000 1.022) 2.639 28.447 ( -1.175 0.000 2.555) 2.812 28.589 ( -1.687 0.000 -1.272) 2.113 28.601 ( 2.068 0.000 -1.401) 2.498 28.687 ( 9.580 0.000 1.436) 9.687 28.716 ( -9.410 0.000 -1.586) 9.543 28.969 ( -0.617 0.000 11.353) 11.369 29.173 ( -0.996 0.000 -6.731) 6.804 29.250 ( 0.675 0.000 11.000) 11.021 29.553 ( 1.990 0.000 -16.756) 16.874 29.895 ( -1.327 0.000 1.466) 1.977 29.917 ( 0.100 0.000 -0.873) 0.879 30.297 ( -9.518 0.000 4.265) 10.430 30.334 ( 10.667 0.000 0.454) 10.677 30.912 ( -1.353 0.000 14.406) 14.470 31.174 ( 2.263 0.000 -12.432) 12.636 31.180 ( -8.068 0.000 8.047) 11.395 31.411 ( 8.151 0.000 -13.549) 15.812 ======================= Grid point 90 (45/63) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -20.437 0.000 10.744) 23.089 1.675 ( -26.348 0.000 -12.961) 29.363 1.824 ( -1.930 0.000 -13.308) 13.447 2.097 ( 5.299 0.000 -10.227) 11.518 2.138 ( -7.751 0.000 -10.588) 13.122 2.169 ( 0.540 0.000 -10.210) 10.224 2.180 ( 1.443 0.000 -1.812) 2.316 2.395 ( 9.893 0.000 -9.376) 13.630 2.494 ( 2.646 0.000 7.135) 7.610 2.616 ( 5.884 0.000 6.779) 8.976 2.656 ( -8.227 0.000 -4.065) 9.177 2.674 ( 4.675 0.000 -4.222) 6.299 2.711 ( 0.916 0.000 -0.922) 1.300 2.870 ( 1.545 0.000 6.517) 6.697 2.931 ( -17.745 0.000 12.636) 21.785 3.024 ( 2.642 0.000 -3.832) 4.654 3.110 ( -7.073 0.000 8.118) 10.767 3.169 ( -10.635 0.000 -1.875) 10.799 3.191 ( -8.567 0.000 4.205) 9.544 3.275 ( -8.536 0.000 -0.864) 8.579 3.348 ( -1.095 0.000 7.690) 7.768 3.514 ( 4.262 0.000 5.469) 6.934 3.535 ( -6.586 0.000 2.938) 7.211 3.592 ( -3.812 0.000 -1.785) 4.209 3.765 ( -1.439 0.000 -4.249) 4.486 3.870 ( -5.079 0.000 -6.263) 8.063 3.874 ( 1.325 0.000 0.469) 1.406 3.956 ( 1.187 0.000 0.207) 1.205 4.016 ( 10.845 0.000 -7.296) 13.071 4.098 ( 0.259 0.000 -3.137) 3.148 4.099 ( 5.795 0.000 4.546) 7.365 4.137 ( 2.095 0.000 9.106) 9.344 4.144 ( 5.739 0.000 8.166) 9.981 4.340 ( 5.956 0.000 -7.643) 9.690 4.420 ( 5.953 0.000 -5.907) 8.386 4.499 ( -0.580 0.000 1.639) 1.738 4.517 ( 0.561 0.000 -0.594) 0.817 4.554 ( 5.464 0.000 -1.043) 5.563 4.655 ( -3.672 0.000 2.494) 4.439 4.706 ( -2.954 0.000 6.740) 7.359 4.951 ( 5.204 0.000 1.711) 5.478 4.990 ( 5.662 0.000 -2.180) 6.067 5.036 ( -1.480 0.000 0.870) 1.717 5.096 ( -4.129 0.000 5.614) 6.968 5.181 ( 6.498 0.000 -1.713) 6.720 5.194 ( 3.523 0.000 -4.371) 5.614 5.406 ( 2.064 0.000 -4.528) 4.976 5.490 ( 3.451 0.000 1.614) 3.810 5.500 ( -2.978 0.000 -8.158) 8.685 5.552 ( 1.456 0.000 0.237) 1.476 5.623 ( 1.535 0.000 7.558) 7.713 5.623 ( 1.120 0.000 3.299) 3.484 5.724 ( 1.975 0.000 -2.315) 3.043 5.792 ( 4.451 0.000 1.475) 4.689 6.015 ( 0.642 0.000 1.963) 2.065 6.021 ( -0.123 0.000 -4.570) 4.571 6.140 ( -1.270 0.000 -6.276) 6.404 6.143 ( -6.959 0.000 -4.070) 8.062 6.234 ( 1.546 0.000 4.476) 4.735 6.380 ( 0.964 0.000 5.341) 5.427 6.455 ( 1.945 0.000 4.799) 5.178 6.467 ( 2.476 0.000 0.236) 2.487 6.566 ( -2.814 0.000 0.675) 2.894 6.630 ( 1.343 0.000 -1.976) 2.389 6.802 ( 0.989 0.000 -1.267) 1.608 6.811 ( -0.117 0.000 -0.259) 0.285 7.065 ( -0.621 0.000 2.382) 2.461 7.171 ( 3.184 0.000 -1.034) 3.347 7.270 ( -2.412 0.000 -5.754) 6.239 7.363 ( -1.593 0.000 -0.199) 1.606 7.441 ( 1.997 0.000 -2.887) 3.510 7.514 ( -2.244 0.000 8.740) 9.024 7.549 ( -2.450 0.000 -5.179) 5.729 7.794 ( 4.654 0.000 1.448) 4.874 7.893 ( -2.922 0.000 1.374) 3.229 7.981 ( -5.646 0.000 2.999) 6.393 8.119 ( 10.238 0.000 0.316) 10.242 8.277 ( 9.418 0.000 -6.194) 11.273 8.346 ( -0.502 0.000 3.185) 3.225 8.427 ( 3.931 0.000 -5.541) 6.793 8.476 ( -2.097 0.000 1.738) 2.724 8.622 ( 5.784 0.000 -0.553) 5.811 8.881 ( -1.739 0.000 -0.868) 1.943 8.957 ( -0.023 0.000 2.800) 2.800 8.983 ( 1.287 0.000 -3.161) 3.414 9.030 ( 1.923 0.000 -1.265) 2.302 9.148 ( -6.417 0.000 6.863) 9.396 9.296 ( -3.054 0.000 0.498) 3.094 9.402 ( -0.043 0.000 -4.135) 4.135 9.463 ( 0.888 0.000 3.201) 3.322 9.485 ( -0.605 0.000 5.369) 5.403 9.569 ( 1.032 0.000 -4.246) 4.369 9.791 ( -0.914 0.000 1.568) 1.815 9.849 ( 3.174 0.000 -4.448) 5.464 10.026 ( -0.106 0.000 -0.856) 0.863 10.133 ( 7.454 0.000 -3.567) 8.264 10.194 ( -4.640 0.000 -6.506) 7.991 10.196 ( -6.025 0.000 5.356) 8.062 10.480 ( -2.635 0.000 -2.448) 3.597 10.528 ( -0.925 0.000 3.376) 3.500 10.695 ( -2.260 0.000 2.986) 3.745 10.776 ( 3.474 0.000 -2.680) 4.387 10.992 ( -5.988 0.000 -4.487) 7.483 11.111 ( -4.902 0.000 -3.518) 6.033 11.198 ( -5.920 0.000 -0.440) 5.936 11.224 ( 3.903 0.000 4.591) 6.026 11.307 ( 6.764 0.000 1.845) 7.011 11.433 ( 6.706 0.000 3.371) 7.506 11.999 ( 2.159 0.000 0.679) 2.263 12.018 ( 3.059 0.000 -2.278) 3.814 12.143 ( -3.060 0.000 0.952) 3.205 12.199 ( -9.197 0.000 4.208) 10.114 12.231 ( 1.634 0.000 -2.080) 2.645 12.358 ( -1.991 0.000 -0.062) 1.992 12.419 ( 1.818 0.000 1.555) 2.393 12.434 ( -2.062 0.000 0.865) 2.236 12.539 ( 2.310 0.000 -0.083) 2.312 12.572 ( 6.378 0.000 1.338) 6.517 12.852 ( -4.236 0.000 1.799) 4.602 12.930 ( -1.080 0.000 3.908) 4.054 12.973 ( 2.715 0.000 -0.810) 2.833 13.038 ( 0.475 0.000 -0.287) 0.555 13.166 ( 2.453 0.000 -0.301) 2.472 13.193 ( -1.091 0.000 -1.148) 1.584 13.251 ( 2.139 0.000 -3.922) 4.467 13.354 ( 6.634 0.000 0.346) 6.643 13.556 ( -6.370 0.000 7.644) 9.950 13.613 ( -7.309 0.000 1.712) 7.507 13.713 ( -2.788 0.000 -1.474) 3.153 13.742 ( -2.877 0.000 -5.956) 6.615 13.797 ( -0.422 0.000 4.285) 4.306 13.913 ( -4.742 0.000 -0.129) 4.744 13.993 ( -2.732 0.000 -6.583) 7.127 14.183 ( 7.107 0.000 -5.967) 9.280 14.280 ( 2.830 0.000 -6.755) 7.324 14.366 ( 7.275 0.000 5.934) 9.388 14.477 ( 1.943 0.000 -0.459) 1.997 14.608 ( 9.360 0.000 7.465) 11.972 14.912 ( -5.375 0.000 -5.210) 7.486 14.950 ( -4.289 0.000 0.848) 4.372 15.269 ( -5.122 0.000 -1.503) 5.339 15.329 ( -2.112 0.000 0.044) 2.112 15.403 ( 1.361 0.000 0.935) 1.651 15.512 ( -1.991 0.000 2.165) 2.941 15.516 ( 6.062 0.000 1.171) 6.174 15.673 ( 8.403 0.000 2.772) 8.848 15.726 ( -3.614 0.000 1.267) 3.829 15.945 ( 8.877 0.000 -2.835) 9.318 16.281 ( -3.640 0.000 -1.210) 3.836 16.313 ( -1.341 0.000 4.342) 4.545 16.379 ( 0.599 0.000 -5.638) 5.669 16.415 ( 2.685 0.000 4.536) 5.271 16.698 ( -8.331 0.000 -1.398) 8.447 16.947 ( 4.705 0.000 1.721) 5.010 17.101 ( -4.773 0.000 -3.214) 5.755 17.139 ( -3.050 0.000 0.876) 3.174 19.307 ( -1.458 0.000 -1.354) 1.990 19.395 ( 3.543 0.000 1.785) 3.967 19.660 ( -0.844 0.000 2.977) 3.094 19.743 ( 3.691 0.000 -2.563) 4.494 20.978 ( -3.960 0.000 -0.196) 3.964 21.142 ( 5.026 0.000 -0.424) 5.044 21.252 ( -2.760 0.000 0.785) 2.870 21.277 ( -0.839 0.000 -0.547) 1.002 25.037 ( -0.337 0.000 1.188) 1.235 25.041 ( 0.459 0.000 1.879) 1.935 25.422 ( -3.423 0.000 -1.627) 3.789 25.504 ( 0.590 0.000 4.000) 4.043 26.095 ( -0.088 0.000 -4.516) 4.517 26.105 ( -0.013 0.000 4.018) 4.018 26.141 ( -1.261 0.000 -2.746) 3.021 26.199 ( 1.908 0.000 3.202) 3.728 26.721 ( 0.317 0.000 -6.364) 6.372 26.725 ( -0.346 0.000 0.396) 0.526 27.035 ( -6.306 0.000 -0.207) 6.310 27.256 ( 3.312 0.000 1.374) 3.585 27.434 ( -2.222 0.000 2.981) 3.718 27.477 ( -2.195 0.000 0.987) 2.407 27.512 ( -0.979 0.000 2.068) 2.288 27.567 ( 2.468 0.000 -0.548) 2.528 27.624 ( -1.675 0.000 6.034) 6.262 27.711 ( 0.329 0.000 -1.373) 1.412 27.832 ( -4.992 0.000 -1.571) 5.233 28.107 ( 6.037 0.000 0.880) 6.101 28.214 ( 0.294 0.000 -5.208) 5.217 28.239 ( 1.000 0.000 2.643) 2.826 28.413 ( -8.574 0.000 -4.386) 9.631 28.426 ( -0.225 0.000 -0.087) 0.241 28.533 ( -3.805 0.000 0.054) 3.805 28.601 ( 0.881 0.000 2.991) 3.118 28.646 ( 4.481 0.000 -2.265) 5.021 28.904 ( 11.322 0.000 0.246) 11.324 29.100 ( 3.091 0.000 10.261) 10.716 29.109 ( 3.041 0.000 -7.993) 8.552 29.393 ( 1.122 0.000 12.258) 12.310 29.432 ( 3.435 0.000 -15.573) 15.947 29.898 ( -0.433 0.000 2.457) 2.495 29.919 ( 0.512 0.000 -0.526) 0.735 30.175 ( -6.876 0.000 1.166) 6.974 30.523 ( 11.270 0.000 -3.790) 11.890 30.964 ( -7.871 0.000 11.432) 13.880 31.033 ( -3.157 0.000 -13.120) 13.494 31.145 ( -7.063 0.000 12.788) 14.609 31.405 ( 5.949 0.000 -13.013) 14.308 ======================= Grid point 91 (46/63) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -29.819 0.000 -7.453) 30.736 1.293 ( -24.000 0.000 17.957) 29.974 1.708 ( 2.544 0.000 -14.314) 14.538 1.875 ( -5.154 0.000 -2.664) 5.802 2.041 ( -0.812 0.000 -10.372) 10.404 2.066 ( 7.517 0.000 -18.929) 20.367 2.247 ( 6.862 0.000 -3.576) 7.738 2.375 ( -27.544 0.000 21.232) 34.777 2.448 ( 0.625 0.000 -4.216) 4.262 2.576 ( -1.885 0.000 0.896) 2.087 2.604 ( -2.406 0.000 -4.651) 5.236 2.684 ( -4.818 0.000 3.003) 5.677 2.718 ( 0.551 0.000 -1.019) 1.158 2.798 ( 4.032 0.000 0.456) 4.058 2.935 ( -0.418 0.000 3.491) 3.516 2.970 ( -7.522 0.000 -0.601) 7.546 3.050 ( 1.026 0.000 1.913) 2.171 3.136 ( -2.645 0.000 3.378) 4.290 3.141 ( -6.411 0.000 1.084) 6.502 3.215 ( 0.939 0.000 9.312) 9.359 3.362 ( -3.764 0.000 3.495) 5.136 3.491 ( -5.011 0.000 6.034) 7.843 3.506 ( -2.091 0.000 -4.386) 4.859 3.640 ( -0.294 0.000 7.122) 7.128 3.675 ( 3.377 0.000 -13.430) 13.848 3.746 ( -5.072 0.000 -1.200) 5.212 3.899 ( 2.112 0.000 1.098) 2.380 3.964 ( -0.406 0.000 0.246) 0.475 4.049 ( 2.081 0.000 -3.663) 4.213 4.180 ( 1.828 0.000 0.048) 1.828 4.195 ( 8.594 0.000 2.222) 8.877 4.255 ( 1.590 0.000 -3.382) 3.738 4.323 ( 4.043 0.000 10.889) 11.615 4.351 ( 0.114 0.000 0.962) 0.968 4.476 ( 5.231 0.000 -2.446) 5.775 4.496 ( -0.447 0.000 -2.878) 2.912 4.562 ( -0.536 0.000 -1.944) 2.017 4.585 ( 5.365 0.000 4.293) 6.871 4.698 ( 2.312 0.000 0.460) 2.357 4.732 ( -1.892 0.000 6.090) 6.377 4.970 ( -5.686 0.000 2.733) 6.309 5.045 ( 0.302 0.000 2.425) 2.444 5.056 ( 3.096 0.000 1.710) 3.537 5.107 ( 1.019 0.000 1.303) 1.655 5.188 ( 4.665 0.000 -9.370) 10.467 5.312 ( -0.321 0.000 -8.259) 8.266 5.316 ( 6.856 0.000 -1.762) 7.079 5.485 ( -2.308 0.000 -4.749) 5.280 5.505 ( 6.500 0.000 -1.425) 6.654 5.566 ( -2.054 0.000 -0.641) 2.152 5.661 ( 0.565 0.000 0.399) 0.692 5.730 ( 5.469 0.000 1.999) 5.823 5.783 ( 5.568 0.000 -0.525) 5.593 5.849 ( 2.371 0.000 -0.588) 2.443 5.952 ( -3.076 0.000 1.985) 3.661 6.004 ( -1.337 0.000 -1.544) 2.043 6.101 ( 2.890 0.000 -2.802) 4.025 6.130 ( 3.831 0.000 -0.662) 3.888 6.275 ( -0.582 0.000 1.619) 1.721 6.409 ( -2.252 0.000 0.825) 2.398 6.477 ( -3.146 0.000 -0.882) 3.267 6.502 ( -1.419 0.000 -0.385) 1.470 6.522 ( -0.664 0.000 1.938) 2.049 6.661 ( 3.622 0.000 4.167) 5.521 6.750 ( -3.436 0.000 -4.709) 5.830 6.832 ( 4.553 0.000 -0.808) 4.624 7.113 ( 2.464 0.000 2.871) 3.783 7.152 ( -4.300 0.000 -1.170) 4.456 7.238 ( 2.889 0.000 -0.174) 2.895 7.342 ( -1.496 0.000 0.870) 1.730 7.397 ( -5.081 0.000 -2.197) 5.536 7.458 ( 3.478 0.000 -2.554) 4.315 7.640 ( 1.794 0.000 7.314) 7.531 7.841 ( -0.545 0.000 1.324) 1.432 7.885 ( -2.364 0.000 4.936) 5.472 7.967 ( -0.404 0.000 5.014) 5.030 8.272 ( -0.076 0.000 3.898) 3.898 8.364 ( 7.161 0.000 -5.552) 9.062 8.403 ( 10.721 0.000 -0.803) 10.751 8.414 ( 2.462 0.000 -7.003) 7.423 8.503 ( 2.845 0.000 2.288) 3.651 8.739 ( 6.553 0.000 1.047) 6.636 8.873 ( 4.234 0.000 -3.608) 5.563 8.957 ( -3.224 0.000 0.172) 3.228 8.994 ( 5.232 0.000 -5.560) 7.634 9.014 ( -0.923 0.000 -0.952) 1.326 9.090 ( -6.768 0.000 4.074) 7.900 9.254 ( -4.563 0.000 5.056) 6.810 9.354 ( -0.704 0.000 -4.197) 4.255 9.484 ( -0.889 0.000 -0.964) 1.311 9.501 ( -1.059 0.000 0.091) 1.063 9.572 ( 1.415 0.000 1.339) 1.948 9.790 ( -0.306 0.000 -1.531) 1.562 9.864 ( 3.451 0.000 -4.546) 5.707 9.995 ( -3.212 0.000 0.043) 3.212 10.044 ( -3.957 0.000 -5.750) 6.980 10.120 ( -6.197 0.000 3.613) 7.173 10.243 ( 9.220 0.000 -4.206) 10.134 10.414 ( -1.636 0.000 -1.505) 2.223 10.518 ( -2.415 0.000 1.155) 2.677 10.680 ( -3.740 0.000 4.311) 5.707 10.828 ( 3.036 0.000 0.329) 3.054 10.897 ( -0.912 0.000 -1.448) 1.712 11.036 ( -0.808 0.000 -0.911) 1.218 11.109 ( -4.288 0.000 0.684) 4.342 11.247 ( 0.213 0.000 -4.914) 4.918 11.374 ( 1.456 0.000 -4.418) 4.652 11.544 ( 2.376 0.000 -0.781) 2.501 12.030 ( -0.451 0.000 -1.078) 1.168 12.074 ( 4.245 0.000 2.213) 4.788 12.144 ( 3.302 0.000 0.724) 3.380 12.172 ( -0.787 0.000 10.442) 10.471 12.277 ( 1.640 0.000 4.002) 4.325 12.352 ( -0.813 0.000 2.935) 3.045 12.413 ( -3.089 0.000 4.656) 5.588 12.463 ( 0.681 0.000 1.517) 1.663 12.595 ( 2.882 0.000 2.169) 3.607 12.624 ( -1.860 0.000 0.529) 1.934 12.831 ( -0.147 0.000 1.343) 1.351 12.919 ( -2.064 0.000 -0.928) 2.263 12.997 ( -2.502 0.000 -2.085) 3.257 13.081 ( 6.743 0.000 2.689) 7.260 13.194 ( 1.903 0.000 2.478) 3.124 13.210 ( -1.062 0.000 -4.680) 4.799 13.254 ( 6.281 0.000 0.010) 6.281 13.358 ( -8.181 0.000 -2.177) 8.465 13.505 ( -7.131 0.000 4.655) 8.516 13.536 ( 1.130 0.000 1.571) 1.935 13.599 ( -7.279 0.000 -1.516) 7.435 13.705 ( 0.179 0.000 2.784) 2.790 13.792 ( -7.870 0.000 0.990) 7.932 13.868 ( 0.453 0.000 2.602) 2.641 13.897 ( 7.164 0.000 -11.927) 13.913 14.284 ( 6.441 0.000 -0.882) 6.501 14.295 ( 6.293 0.000 -4.205) 7.569 14.496 ( 2.668 0.000 1.713) 3.170 14.578 ( 7.210 0.000 2.467) 7.620 14.712 ( -8.535 0.000 -5.651) 10.236 14.829 ( -8.469 0.000 -1.251) 8.561 14.859 ( 8.944 0.000 4.057) 9.821 15.192 ( -1.811 0.000 -3.067) 3.562 15.304 ( -0.464 0.000 -0.281) 0.542 15.424 ( -1.186 0.000 1.765) 2.126 15.511 ( 0.351 0.000 1.429) 1.472 15.573 ( 2.744 0.000 -2.798) 3.918 15.664 ( -2.947 0.000 -2.543) 3.892 15.916 ( 10.308 0.000 8.337) 13.257 16.077 ( 9.258 0.000 -3.055) 9.750 16.194 ( -3.250 0.000 -3.546) 4.810 16.320 ( -1.661 0.000 1.925) 2.542 16.335 ( 2.100 0.000 -6.751) 7.070 16.512 ( 4.455 0.000 2.423) 5.071 16.564 ( -8.047 0.000 3.487) 8.770 16.958 ( -7.002 0.000 -4.080) 8.104 17.029 ( 2.637 0.000 -0.727) 2.735 17.048 ( -7.230 0.000 -0.476) 7.245 19.275 ( -0.329 0.000 -2.287) 2.311 19.468 ( 2.464 0.000 -1.064) 2.684 19.636 ( -3.321 0.000 -2.183) 3.974 19.781 ( 3.526 0.000 -2.737) 4.463 20.932 ( -1.820 0.000 2.232) 2.880 21.160 ( -2.628 0.000 -3.115) 4.075 21.250 ( 2.627 0.000 2.624) 3.712 21.266 ( 0.635 0.000 1.200) 1.357 25.043 ( -0.868 0.000 1.758) 1.961 25.108 ( 4.486 0.000 2.272) 5.029 25.376 ( -2.337 0.000 2.649) 3.533 25.578 ( 0.478 0.000 9.719) 9.731 26.051 ( 0.638 0.000 -4.702) 4.745 26.064 ( -2.173 0.000 -4.321) 4.837 26.159 ( 0.372 0.000 4.161) 4.177 26.260 ( 1.679 0.000 2.396) 2.926 26.616 ( -4.460 0.000 -8.233) 9.364 26.715 ( -1.704 0.000 2.781) 3.262 26.992 ( -1.369 0.000 3.909) 4.142 27.255 ( -2.818 0.000 -0.244) 2.828 27.423 ( -2.120 0.000 0.454) 2.168 27.471 ( -7.840 0.000 3.587) 8.622 27.526 ( 3.204 0.000 4.127) 5.225 27.580 ( -0.944 0.000 -1.929) 2.148 27.670 ( -0.130 0.000 3.132) 3.135 27.683 ( -0.611 0.000 -1.998) 2.089 27.780 ( 2.540 0.000 -3.042) 3.962 28.140 ( -5.604 0.000 -3.615) 6.669 28.185 ( 2.663 0.000 -5.492) 6.104 28.201 ( 2.261 0.000 1.937) 2.977 28.304 ( -1.593 0.000 0.317) 1.624 28.452 ( 1.853 0.000 0.637) 1.959 28.483 ( -2.458 0.000 3.233) 4.061 28.669 ( 2.766 0.000 2.471) 3.709 28.747 ( 7.181 0.000 0.872) 7.234 29.067 ( 8.228 0.000 -0.225) 8.231 29.146 ( 9.723 0.000 -4.856) 10.868 29.251 ( 4.232 0.000 5.021) 6.567 29.370 ( 5.491 0.000 -11.708) 12.932 29.514 ( -0.279 0.000 10.085) 10.089 29.887 ( -2.824 0.000 -3.791) 4.728 29.932 ( 0.922 0.000 3.327) 3.452 30.126 ( -1.888 0.000 5.336) 5.660 30.573 ( 0.220 0.000 -7.476) 7.479 30.828 ( -4.805 0.000 -11.843) 12.781 30.944 ( -5.161 0.000 9.059) 10.426 31.161 ( -6.286 0.000 11.437) 13.050 31.325 ( -0.881 0.000 -12.896) 12.926 ======================= Grid point 92 (47/63) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 10.035 0.000 36.506) 37.860 1.111 ( -20.287 0.000 23.982) 31.412 1.628 ( 6.740 0.000 -17.375) 18.637 1.931 ( 4.785 0.000 6.066) 7.726 1.993 ( -9.786 0.000 15.955) 18.717 2.042 ( 13.361 0.000 -16.262) 21.047 2.135 ( -16.487 0.000 20.115) 26.009 2.356 ( 8.359 0.000 -1.525) 8.497 2.426 ( -0.728 0.000 -0.329) 0.799 2.509 ( -1.460 0.000 -6.210) 6.379 2.598 ( -0.274 0.000 7.511) 7.516 2.701 ( -2.738 0.000 3.583) 4.509 2.729 ( 4.504 0.000 1.655) 4.798 2.804 ( -3.575 0.000 1.243) 3.785 2.955 ( -1.508 0.000 1.592) 2.193 2.963 ( 5.052 0.000 0.190) 5.056 3.018 ( -2.079 0.000 -2.813) 3.498 3.088 ( -2.073 0.000 0.937) 2.275 3.166 ( 0.156 0.000 2.860) 2.865 3.275 ( -5.414 0.000 -5.283) 7.564 3.295 ( 0.273 0.000 6.155) 6.161 3.423 ( -4.854 0.000 -1.281) 5.021 3.495 ( 0.025 0.000 4.812) 4.812 3.582 ( 2.281 0.000 -11.611) 11.833 3.642 ( -2.534 0.000 0.259) 2.547 3.737 ( 2.024 0.000 3.595) 4.125 3.916 ( -0.535 0.000 -7.623) 7.641 3.973 ( 0.140 0.000 4.805) 4.808 4.048 ( 0.272 0.000 -2.507) 2.522 4.121 ( -0.948 0.000 -10.115) 10.160 4.260 ( 0.570 0.000 0.223) 0.612 4.310 ( -3.767 0.000 6.699) 7.685 4.317 ( -4.139 0.000 1.283) 4.333 4.429 ( 0.781 0.000 -8.994) 9.027 4.474 ( 5.834 0.000 6.910) 9.043 4.526 ( 1.232 0.000 0.506) 1.332 4.546 ( 0.413 0.000 -1.315) 1.378 4.706 ( -0.779 0.000 3.404) 3.492 4.724 ( 2.574 0.000 -1.082) 2.792 4.769 ( 2.279 0.000 5.799) 6.231 4.891 ( -4.361 0.000 3.860) 5.824 5.060 ( -0.830 0.000 0.061) 0.832 5.064 ( 0.550 0.000 -7.646) 7.666 5.131 ( 1.014 0.000 -1.923) 2.174 5.183 ( 3.156 0.000 -5.932) 6.719 5.273 ( 1.759 0.000 -2.546) 3.095 5.346 ( -3.698 0.000 -5.487) 6.617 5.393 ( 2.742 0.000 -3.842) 4.721 5.505 ( -3.940 0.000 -1.063) 4.080 5.566 ( 4.474 0.000 -9.298) 10.318 5.673 ( 0.464 0.000 2.726) 2.765 5.795 ( -0.430 0.000 -0.825) 0.930 5.851 ( 2.484 0.000 -0.920) 2.648 5.901 ( 3.400 0.000 0.870) 3.509 5.948 ( -0.643 0.000 2.991) 3.059 5.980 ( 1.532 0.000 -3.207) 3.554 6.096 ( 0.705 0.000 -5.386) 5.432 6.178 ( -0.344 0.000 -1.892) 1.923 6.270 ( -0.762 0.000 1.088) 1.328 6.306 ( -4.294 0.000 0.556) 4.330 6.441 ( -0.958 0.000 0.929) 1.334 6.448 ( -3.225 0.000 1.254) 3.460 6.569 ( 1.911 0.000 2.571) 3.204 6.651 ( -1.441 0.000 -2.905) 3.243 6.825 ( 5.432 0.000 10.155) 11.517 6.937 ( 6.669 0.000 0.774) 6.714 7.088 ( -3.953 0.000 4.445) 5.949 7.176 ( 2.567 0.000 -0.176) 2.573 7.280 ( -1.555 0.000 -3.336) 3.680 7.313 ( -1.817 0.000 -0.764) 1.971 7.348 ( 2.925 0.000 4.155) 5.081 7.507 ( 2.653 0.000 -1.052) 2.854 7.728 ( 1.688 0.000 4.352) 4.668 7.820 ( -4.651 0.000 4.792) 6.678 7.902 ( -0.310 0.000 3.501) 3.514 8.033 ( 1.874 0.000 0.568) 1.958 8.271 ( 0.519 0.000 3.083) 3.126 8.365 ( 2.152 0.000 -7.220) 7.534 8.441 ( 5.213 0.000 -2.336) 5.712 8.566 ( 1.488 0.000 2.284) 2.726 8.635 ( 7.351 0.000 2.980) 7.932 8.804 ( 1.786 0.000 -2.000) 2.681 8.889 ( 2.522 0.000 -4.695) 5.330 8.972 ( 6.957 0.000 -3.657) 7.859 9.002 ( -1.773 0.000 2.934) 3.428 9.009 ( -4.069 0.000 2.363) 4.705 9.053 ( 7.688 0.000 -4.457) 8.886 9.204 ( -5.294 0.000 0.455) 5.313 9.335 ( 0.684 0.000 1.339) 1.503 9.441 ( -0.942 0.000 -2.813) 2.967 9.472 ( -1.053 0.000 -0.291) 1.093 9.583 ( -2.164 0.000 0.031) 2.164 9.706 ( -7.726 0.000 0.627) 7.751 9.874 ( 1.713 0.000 -1.144) 2.060 9.920 ( -5.186 0.000 -0.550) 5.215 9.989 ( 2.854 0.000 -4.088) 4.986 10.093 ( -0.806 0.000 2.419) 2.550 10.280 ( 1.166 0.000 -6.449) 6.553 10.461 ( 3.799 0.000 1.492) 4.082 10.494 ( -1.273 0.000 1.498) 1.966 10.690 ( 2.168 0.000 5.700) 6.098 10.840 ( -1.327 0.000 2.624) 2.940 10.956 ( 4.085 0.000 3.212) 5.196 11.027 ( -0.799 0.000 -1.930) 2.089 11.105 ( 1.449 0.000 6.339) 6.502 11.150 ( -2.358 0.000 -8.432) 8.756 11.329 ( 0.843 0.000 -6.866) 6.918 11.492 ( -3.590 0.000 -4.826) 6.015 12.020 ( 0.163 0.000 1.180) 1.191 12.159 ( 1.572 0.000 -0.292) 1.599 12.238 ( 6.742 0.000 -0.957) 6.809 12.244 ( 1.137 0.000 3.616) 3.790 12.360 ( -1.411 0.000 2.867) 3.195 12.388 ( 2.271 0.000 5.220) 5.692 12.418 ( -2.867 0.000 5.186) 5.926 12.469 ( -0.264 0.000 0.722) 0.769 12.556 ( -5.429 0.000 0.301) 5.437 12.670 ( 3.378 0.000 0.547) 3.422 12.858 ( 0.433 0.000 2.266) 2.307 12.858 ( -2.376 0.000 -2.913) 3.759 12.966 ( 2.702 0.000 -1.758) 3.224 13.092 ( -4.526 0.000 -1.185) 4.679 13.164 ( -8.739 0.000 -1.575) 8.880 13.252 ( 6.009 0.000 0.435) 6.025 13.267 ( -2.477 0.000 0.610) 2.551 13.338 ( 3.351 0.000 1.859) 3.832 13.477 ( 1.279 0.000 3.457) 3.686 13.499 ( -3.016 0.000 7.433) 8.021 13.597 ( 2.717 0.000 0.977) 2.888 13.695 ( -5.819 0.000 3.735) 6.914 13.749 ( 0.644 0.000 0.408) 0.762 13.860 ( 8.956 0.000 -11.280) 14.403 14.029 ( 7.525 0.000 4.989) 9.028 14.337 ( -3.004 0.000 -0.346) 3.024 14.364 ( 4.775 0.000 -1.562) 5.024 14.504 ( -7.867 0.000 2.755) 8.335 14.547 ( -0.841 0.000 -5.252) 5.319 14.572 ( -3.163 0.000 -5.959) 6.747 14.813 ( 7.357 0.000 1.641) 7.538 14.991 ( 2.106 0.000 0.938) 2.306 15.134 ( -1.041 0.000 -1.934) 2.197 15.309 ( 1.014 0.000 -0.019) 1.015 15.400 ( -2.506 0.000 0.685) 2.598 15.509 ( -4.735 0.000 -8.120) 9.400 15.552 ( 1.489 0.000 2.573) 2.973 15.618 ( 0.478 0.000 0.253) 0.541 16.115 ( -1.192 0.000 -2.590) 2.851 16.155 ( 10.937 0.000 0.593) 10.953 16.183 ( 5.196 0.000 -2.519) 5.775 16.278 ( -4.275 0.000 -1.534) 4.542 16.322 ( 1.112 0.000 -2.235) 2.496 16.504 ( -4.091 0.000 6.251) 7.470 16.589 ( 2.651 0.000 -1.595) 3.094 16.785 ( -8.180 0.000 -6.648) 10.541 16.911 ( -7.368 0.000 0.182) 7.370 16.930 ( -8.678 0.000 -6.767) 11.004 19.248 ( 0.562 0.000 -3.524) 3.568 19.312 ( -11.806 0.000 -4.986) 12.816 19.629 ( 1.484 0.000 3.541) 3.840 19.798 ( 1.529 0.000 -3.126) 3.480 20.944 ( -0.968 0.000 2.946) 3.101 21.072 ( -2.906 0.000 -2.942) 4.135 21.326 ( 2.062 0.000 3.191) 3.800 21.360 ( 7.407 0.000 1.060) 7.483 25.043 ( -1.131 0.000 2.232) 2.502 25.183 ( 3.970 0.000 -4.760) 6.199 25.397 ( 0.257 0.000 5.020) 5.027 25.652 ( -4.123 0.000 2.798) 4.983 25.988 ( -1.881 0.000 -2.992) 3.534 26.029 ( 1.195 0.000 -4.538) 4.692 26.208 ( 0.778 0.000 3.504) 3.590 26.283 ( -0.887 0.000 -0.093) 0.892 26.510 ( 1.527 0.000 5.059) 5.285 26.739 ( -0.472 0.000 5.332) 5.353 27.037 ( 0.723 0.000 4.780) 4.835 27.191 ( -3.248 0.000 -1.807) 3.717 27.309 ( -12.207 0.000 0.778) 12.232 27.369 ( -3.694 0.000 -2.116) 4.257 27.528 ( -0.033 0.000 -2.988) 2.988 27.554 ( -1.766 0.000 -1.327) 2.209 27.611 ( -2.346 0.000 -3.698) 4.380 27.649 ( -0.467 0.000 -4.262) 4.288 27.864 ( 6.327 0.000 2.682) 6.872 28.185 ( 1.527 0.000 -3.001) 3.367 28.186 ( 2.819 0.000 -4.219) 5.074 28.229 ( -0.323 0.000 0.842) 0.902 28.327 ( 8.090 0.000 5.715) 9.905 28.459 ( -1.619 0.000 3.472) 3.831 28.548 ( 3.690 0.000 3.110) 4.826 28.711 ( -0.064 0.000 0.188) 0.198 28.908 ( 8.547 0.000 4.198) 9.522 29.179 ( 3.367 0.000 0.342) 3.384 29.318 ( 4.144 0.000 -3.541) 5.451 29.356 ( 16.850 0.000 -3.832) 17.280 29.405 ( 6.825 0.000 -3.026) 7.466 29.537 ( -6.354 0.000 0.992) 6.431 29.798 ( -1.909 0.000 4.063) 4.489 29.983 ( -0.455 0.000 4.026) 4.051 30.190 ( -0.805 0.000 9.372) 9.407 30.435 ( -6.211 0.000 -5.233) 8.122 30.700 ( 1.747 0.000 -5.680) 5.942 30.916 ( -5.670 0.000 1.066) 5.769 31.144 ( -5.137 0.000 -6.872) 8.580 31.149 ( -5.794 0.000 6.717) 8.871 ======================= Grid point 93 (48/63) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -8.015 13.046 20.635) 25.695 1.542 ( 3.125 12.320 15.829) 20.300 1.657 ( 4.968 6.015 -5.960) 9.817 1.996 ( 5.055 -0.585 -5.449) 7.455 2.117 ( 8.586 -1.946 -4.049) 9.690 2.192 ( -3.684 -8.528 -4.158) 10.178 2.242 ( 7.214 -2.279 3.426) 8.305 2.320 ( -0.584 8.046 26.600) 27.796 2.425 ( 2.783 -0.685 -2.995) 4.145 2.507 ( 2.865 -1.642 5.186) 6.148 2.617 ( 0.240 1.433 3.569) 3.853 2.771 ( -6.039 2.432 -0.168) 6.512 2.849 ( 0.971 -3.354 2.074) 4.062 2.859 ( 4.359 0.581 6.402) 7.767 2.910 ( -1.178 3.170 2.435) 4.167 2.936 ( -5.130 2.018 0.711) 5.558 3.018 ( -5.046 -0.300 -5.112) 7.189 3.085 ( 2.861 0.815 -9.057) 9.533 3.114 ( -1.251 -2.485 -0.899) 2.924 3.135 ( 1.469 -1.317 -2.642) 3.297 3.290 ( -3.305 -1.512 1.674) 4.001 3.317 ( 2.194 3.539 -0.165) 4.167 3.557 ( 4.346 2.175 -2.407) 5.423 3.611 ( -3.397 3.175 -7.683) 8.980 3.711 ( 3.961 4.986 4.196) 7.625 3.823 ( -1.815 4.449 -7.663) 9.044 3.874 ( 4.616 -0.318 5.459) 7.155 3.985 ( -1.567 1.516 -1.599) 2.704 4.061 ( -0.887 4.167 2.118) 4.758 4.104 ( -2.248 1.649 3.205) 4.248 4.141 ( -3.891 -2.211 -6.268) 7.702 4.199 ( -2.806 -1.573 -2.807) 4.270 4.325 ( 0.416 -0.366 6.130) 6.155 4.391 ( 0.640 -2.482 1.349) 2.897 4.450 ( 1.218 -3.751 -1.816) 4.342 4.526 ( -1.745 -2.184 -5.653) 6.306 4.565 ( -3.939 -4.250 3.580) 6.811 4.654 ( 8.206 -5.524 -2.377) 10.174 4.779 ( -0.590 1.896 3.269) 3.825 4.844 ( -0.638 -1.062 -0.406) 1.304 4.899 ( 2.790 -0.761 2.683) 3.945 4.981 ( -2.133 -5.414 -4.277) 7.222 5.085 ( 1.866 0.782 1.199) 2.352 5.121 ( 1.409 5.593 1.179) 5.887 5.165 ( -3.268 0.523 0.883) 3.426 5.195 ( -1.814 3.644 -8.824) 9.718 5.354 ( 0.325 1.305 0.750) 1.540 5.389 ( -1.697 3.057 -4.930) 6.044 5.447 ( -1.519 2.873 -0.933) 3.381 5.522 ( 0.162 1.815 -6.302) 6.560 5.707 ( -1.907 -2.363 2.249) 3.779 5.724 ( -0.563 -2.931 0.158) 2.989 5.820 ( 0.108 -6.325 3.388) 7.177 5.902 ( -0.705 -5.966 -3.571) 6.989 5.940 ( 2.518 -1.000 -0.040) 2.710 5.956 ( -1.338 -1.133 0.737) 1.902 6.028 ( -1.576 -4.235 -3.664) 5.817 6.032 ( 3.414 -2.554 -4.417) 6.139 6.284 ( 0.802 -0.800 2.224) 2.496 6.320 ( 0.040 -0.847 -2.071) 2.238 6.421 ( -0.659 1.031 1.439) 1.889 6.451 ( -0.884 0.329 -0.669) 1.156 6.641 ( -0.314 2.151 1.959) 2.926 6.663 ( 1.965 2.028 -0.251) 2.835 6.952 ( -4.396 -0.758 5.909) 7.404 7.021 ( 4.404 -0.572 -1.056) 4.565 7.076 ( 0.583 -3.460 7.982) 8.719 7.183 ( 0.745 -1.691 -0.549) 1.927 7.282 ( -1.760 5.757 -0.589) 6.049 7.329 ( 0.865 6.008 -3.989) 7.263 7.481 ( 4.145 1.568 1.363) 4.637 7.509 ( -3.444 1.014 -1.192) 3.783 7.801 ( 0.264 0.323 3.250) 3.277 7.812 ( 0.752 0.532 1.597) 1.843 7.954 ( 0.556 0.653 2.495) 2.638 7.982 ( -2.534 -0.183 -1.585) 2.995 8.327 ( 0.443 -1.011 -1.555) 1.907 8.367 ( 5.210 0.406 -4.523) 6.911 8.569 ( -1.222 4.042 1.848) 4.609 8.603 ( 2.367 6.516 -1.458) 7.084 8.713 ( -3.198 3.927 3.368) 6.082 8.784 ( 2.126 -1.463 -3.324) 4.208 8.866 ( -9.771 -1.350 1.002) 9.915 8.911 ( 7.299 -1.996 -2.872) 8.094 8.975 ( -5.194 -4.338 4.509) 8.132 9.047 ( 4.188 -1.183 -1.082) 4.485 9.124 ( -2.337 -0.243 -1.037) 2.569 9.166 ( 5.409 1.488 -3.567) 6.648 9.334 ( -0.576 -2.373 1.326) 2.779 9.357 ( -2.502 -4.002 -1.074) 4.841 9.502 ( 0.542 2.851 4.231) 5.130 9.585 ( 0.588 1.898 -2.151) 2.928 9.624 ( -1.692 -0.588 4.018) 4.399 9.756 ( 1.468 -7.108 -7.661) 10.553 9.900 ( -2.815 1.697 6.537) 7.317 10.030 ( 3.790 0.977 -6.406) 7.507 10.139 ( 0.641 1.211 2.625) 2.961 10.215 ( -0.602 -1.161 -4.394) 4.584 10.463 ( -2.706 -1.437 2.488) 3.947 10.476 ( -0.186 -1.910 1.748) 2.595 10.749 ( 2.785 -6.469 5.249) 8.784 10.810 ( -0.228 -4.508 -0.141) 4.516 10.936 ( -0.301 -4.408 0.344) 4.431 10.974 ( 0.191 -4.770 -3.408) 5.865 11.126 ( 1.279 3.898 4.424) 6.033 11.244 ( 4.463 1.346 4.496) 6.476 11.271 ( -1.833 2.166 -7.252) 7.787 11.359 ( -4.252 -0.584 -5.198) 6.741 12.036 ( -3.490 -3.579 1.810) 5.317 12.040 ( 1.280 -2.307 1.393) 2.983 12.234 ( -2.653 -4.097 1.474) 5.099 12.273 ( 3.834 -4.691 -2.346) 6.497 12.434 ( 4.418 3.600 3.141) 6.507 12.466 ( -4.238 2.805 -0.099) 5.083 12.516 ( -2.219 8.213 6.139) 10.491 12.547 ( 2.334 2.894 3.229) 4.924 12.595 ( -1.132 9.243 -2.392) 9.615 12.663 ( 1.964 -0.660 -3.604) 4.158 12.787 ( -0.071 -0.337 -0.527) 0.630 12.843 ( -0.710 -2.442 -2.695) 3.706 12.952 ( 0.240 -4.402 -0.689) 4.462 12.975 ( 0.963 -2.386 -2.519) 3.601 13.140 ( -1.004 2.659 1.670) 3.297 13.191 ( 0.804 1.950 -3.009) 3.674 13.321 ( -7.235 -1.636 5.342) 9.141 13.385 ( 2.604 1.825 -1.389) 3.470 13.492 ( -1.833 -2.575 8.786) 9.337 13.589 ( 1.763 -3.340 -0.348) 3.793 13.657 ( -4.430 -0.384 4.283) 6.174 13.702 ( 0.552 0.537 -2.432) 2.551 13.730 ( 3.568 2.424 0.804) 4.388 13.873 ( 6.756 -2.224 -10.111) 12.362 14.247 ( 3.547 2.232 10.254) 11.078 14.359 ( 2.406 2.574 2.432) 4.281 14.398 ( -5.437 8.320 -0.750) 9.967 14.437 ( 1.919 2.054 -5.989) 6.616 14.508 ( -1.361 4.036 -3.484) 5.503 14.544 ( -1.091 3.433 -5.099) 6.242 14.916 ( -3.491 -3.209 1.870) 5.097 14.941 ( 2.129 -1.797 -1.540) 3.184 15.180 ( 3.992 1.840 3.421) 5.570 15.274 ( -4.964 0.231 -5.418) 7.352 15.402 ( 2.058 3.907 0.137) 4.418 15.416 ( -2.500 3.953 -1.944) 5.065 15.660 ( 0.823 5.823 1.885) 6.176 15.681 ( -0.735 4.739 0.110) 4.797 15.957 ( -6.435 -7.665 3.338) 10.550 16.046 ( -0.485 -7.295 -5.185) 8.962 16.243 ( -0.184 2.556 1.157) 2.812 16.284 ( -3.133 -0.952 -1.979) 3.826 16.334 ( -1.393 -3.932 6.515) 7.736 16.411 ( 2.869 -3.772 -0.911) 4.826 16.639 ( 2.806 4.416 -1.467) 5.434 16.668 ( -0.081 2.128 -3.921) 4.462 16.833 ( -1.606 0.192 0.162) 1.625 16.840 ( 0.354 0.775 -0.471) 0.974 19.204 ( -3.059 3.016 1.964) 4.723 19.260 ( 2.177 3.071 -3.698) 5.277 19.627 ( -0.025 -6.014 3.915) 7.176 19.704 ( 0.196 -6.622 -3.713) 7.595 21.013 ( 0.204 5.410 2.558) 5.987 21.060 ( -0.647 4.360 -2.110) 4.887 21.338 ( -0.324 -3.325 2.745) 4.324 21.388 ( 0.920 -5.315 -1.787) 5.682 25.063 ( -0.505 0.551 3.356) 3.439 25.132 ( -0.666 -1.539 -3.160) 3.577 25.450 ( 2.269 -2.750 4.005) 5.362 25.492 ( -3.543 -3.520 0.117) 4.996 25.992 ( -0.344 3.878 -0.370) 3.911 26.022 ( -0.554 3.108 -3.009) 4.361 26.262 ( -0.141 0.992 1.617) 1.903 26.279 ( -0.146 0.217 0.139) 0.296 26.717 ( 9.518 -0.848 4.285) 10.473 26.757 ( -1.147 -1.116 0.702) 1.748 27.083 ( -0.665 -0.014 -0.533) 0.853 27.107 ( -2.058 -0.724 -2.755) 3.514 27.191 ( -2.670 2.853 6.379) 7.481 27.310 ( 0.012 2.226 -4.731) 5.229 27.478 ( -2.191 -4.170 1.990) 5.114 27.514 ( 1.095 -1.956 -1.867) 2.917 27.601 ( 1.312 5.344 1.900) 5.821 27.673 ( -2.162 6.844 -5.279) 8.910 27.976 ( 4.023 -2.707 3.928) 6.240 28.069 ( -4.088 -3.071 -5.254) 7.331 28.233 ( -3.121 4.385 0.125) 5.384 28.245 ( 2.019 4.020 -1.137) 4.640 28.463 ( -1.683 -0.060 1.705) 2.397 28.500 ( 3.108 -0.268 -2.101) 3.761 28.594 ( 1.842 -3.787 3.318) 5.362 28.646 ( 0.381 -3.129 -1.802) 3.631 29.015 ( -1.475 -7.681 3.513) 8.574 29.044 ( 0.368 -7.629 0.602) 7.662 29.342 ( -7.945 2.662 4.401) 9.465 29.419 ( 4.140 4.517 -3.371) 6.994 29.512 ( -2.268 -1.231 -0.578) 2.644 29.539 ( 5.324 2.243 -2.772) 6.408 29.952 ( -6.355 2.263 2.624) 7.238 29.990 ( 10.217 1.641 -1.142) 10.411 30.242 ( -4.233 1.108 7.278) 8.492 30.342 ( 2.411 -1.528 -2.186) 3.596 30.770 ( 4.044 1.606 -0.720) 4.410 30.791 ( -4.412 1.974 -2.492) 5.438 31.042 ( -3.805 -4.838 1.153) 6.262 31.086 ( 7.212 -5.407 -3.173) 9.556 ======================= Grid point 94 (49/63) ======================= q-point: ( 0.12 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -0.263 12.165 12.577) 17.499 1.625 ( 8.186 10.668 -7.446) 15.371 1.700 ( -4.492 11.980 10.419) 16.500 1.781 ( -8.482 5.951 -27.355) 29.251 2.022 ( -5.002 -3.829 -7.993) 10.177 2.200 ( 1.330 -5.198 -5.072) 7.383 2.270 ( -2.631 -9.189 -8.729) 12.945 2.306 ( -5.521 -0.585 0.447) 5.570 2.470 ( -5.189 -1.408 -0.199) 5.381 2.591 ( 4.101 -0.136 1.086) 4.245 2.689 ( 2.198 -6.319 -3.456) 7.530 2.785 ( -4.869 1.664 0.092) 5.147 2.832 ( 2.687 2.144 3.347) 4.798 2.884 ( -1.377 2.214 -2.941) 3.930 2.948 ( 1.632 2.514 8.164) 8.697 2.963 ( 3.030 1.020 5.411) 6.285 3.000 ( 2.847 1.944 -4.694) 5.824 3.060 ( 5.093 -2.608 -2.209) 6.133 3.117 ( 7.334 4.460 7.972) 11.715 3.219 ( 3.079 3.491 -0.445) 4.675 3.256 ( -0.833 -6.747 2.220) 7.151 3.377 ( 3.426 2.476 -0.183) 4.231 3.477 ( -0.414 3.145 -6.458) 7.195 3.648 ( 2.555 2.048 2.635) 4.203 3.699 ( -1.656 3.986 -5.713) 7.160 3.780 ( -0.076 0.933 4.233) 4.336 3.895 ( -1.300 1.549 -8.141) 8.389 4.013 ( 3.278 3.398 2.024) 5.137 4.068 ( -0.189 8.650 0.286) 8.657 4.102 ( -2.337 1.072 1.381) 2.918 4.170 ( 1.041 -4.498 5.350) 7.067 4.186 ( 5.849 0.682 5.637) 8.152 4.343 ( -2.479 -1.749 -2.100) 3.690 4.402 ( 1.152 -0.705 3.499) 3.751 4.462 ( 2.831 -4.943 -4.873) 7.497 4.493 ( -2.642 -0.528 3.866) 4.712 4.553 ( 1.666 -3.530 1.366) 4.136 4.675 ( -0.302 -7.943 -5.471) 9.650 4.770 ( -4.554 -1.883 -2.555) 5.551 4.841 ( 1.496 2.072 2.921) 3.882 4.914 ( 0.755 -4.085 -1.333) 4.363 4.985 ( 2.392 -2.333 -1.319) 3.592 5.061 ( -3.067 4.882 -2.278) 6.199 5.102 ( -2.336 -0.870 -1.555) 2.938 5.160 ( 3.415 7.000 8.064) 11.211 5.205 ( -2.485 1.439 -0.416) 2.901 5.278 ( -0.086 -0.136 1.556) 1.564 5.399 ( -1.705 0.781 1.959) 2.712 5.436 ( -1.377 3.310 0.755) 3.664 5.513 ( 3.850 2.513 -0.144) 4.600 5.677 ( -3.673 -2.756 2.222) 5.102 5.720 ( -1.788 -3.884 1.116) 4.419 5.833 ( -1.692 -6.488 1.324) 6.834 5.853 ( -2.393 -4.933 -0.725) 5.531 5.925 ( -0.028 -0.244 -0.808) 0.845 5.969 ( -1.045 -0.066 -2.554) 2.760 6.023 ( 5.064 -2.880 0.020) 5.826 6.068 ( 2.281 -4.491 -0.225) 5.043 6.282 ( -1.904 -1.804 -2.040) 3.322 6.321 ( 1.608 -0.703 1.223) 2.140 6.409 ( -1.295 0.229 1.589) 2.063 6.465 ( 1.199 -0.318 0.988) 1.586 6.635 ( -0.845 1.294 -0.286) 1.572 6.670 ( 0.168 2.275 -2.039) 3.059 6.884 ( -7.627 -1.286 2.278) 8.064 7.018 ( -4.471 1.871 -2.787) 5.591 7.104 ( 1.002 -3.524 1.098) 3.825 7.174 ( -1.289 0.922 -1.983) 2.539 7.307 ( 2.638 4.231 1.510) 5.209 7.318 ( 1.494 6.152 -0.742) 6.374 7.417 ( -3.508 0.304 -3.002) 4.628 7.554 ( 2.305 1.789 0.468) 2.955 7.797 ( 0.014 -0.172 -1.848) 1.856 7.878 ( 3.165 -1.268 0.221) 3.417 7.902 ( -4.869 1.834 2.301) 5.689 7.991 ( 0.085 -1.397 1.598) 2.124 8.316 ( 0.636 -2.498 -3.826) 4.614 8.373 ( 1.798 0.011 -3.688) 4.103 8.485 ( -6.119 5.538 -0.063) 8.253 8.615 ( -7.779 -0.338 -1.579) 7.944 8.660 ( -8.099 4.344 1.172) 9.265 8.737 ( 0.830 3.369 3.581) 4.986 8.802 ( 1.487 -0.433 -0.190) 1.560 8.910 ( -5.935 -4.192 2.271) 7.613 8.965 ( -1.428 2.002 3.190) 4.028 9.079 ( 2.296 -1.199 -3.235) 4.144 9.101 ( 1.731 0.862 -4.485) 4.884 9.187 ( 0.488 2.424 0.744) 2.582 9.307 ( -2.066 -4.272 1.609) 5.011 9.357 ( -0.785 -2.526 2.530) 3.661 9.517 ( 3.009 0.513 -2.413) 3.891 9.648 ( 0.841 -4.499 4.575) 6.471 9.654 ( 3.039 2.658 -0.284) 4.047 9.742 ( 4.460 -5.017 -4.879) 8.299 9.914 ( -2.823 1.123 5.013) 5.862 10.051 ( 6.432 1.198 -6.344) 9.113 10.164 ( 0.172 0.340 -1.273) 1.329 10.175 ( -0.950 0.527 1.660) 1.985 10.413 ( -4.758 -2.735 1.669) 5.736 10.482 ( -1.370 -0.552 1.828) 2.351 10.753 ( 0.041 -1.634 -3.447) 3.814 10.848 ( 1.321 -8.779 1.271) 8.968 10.890 ( -3.595 -4.676 -1.438) 6.071 10.989 ( 2.318 -2.180 0.827) 3.288 11.111 ( -4.658 0.908 -2.092) 5.186 11.225 ( -3.572 -0.183 -4.935) 6.094 11.241 ( 1.942 4.933 3.315) 6.253 11.395 ( 4.998 1.014 5.066) 7.188 12.013 ( -0.771 -1.425 1.381) 2.129 12.108 ( 3.185 -3.817 2.062) 5.382 12.191 ( -2.857 -1.843 0.274) 3.411 12.303 ( 1.054 -2.575 -2.273) 3.593 12.368 ( -2.471 0.709 -1.741) 3.105 12.492 ( -4.650 6.563 0.265) 8.048 12.541 ( -0.430 7.076 0.933) 7.150 12.572 ( 3.100 4.082 -0.703) 5.173 12.591 ( 0.730 -1.978 3.617) 4.187 12.663 ( 3.695 1.729 -5.075) 6.511 12.796 ( 0.252 -2.002 -1.005) 2.255 12.847 ( 2.119 -1.358 1.140) 2.763 12.928 ( 0.829 -1.957 -1.169) 2.426 13.050 ( 1.335 -2.796 1.111) 3.292 13.092 ( -0.096 -0.645 2.137) 2.235 13.229 ( -1.091 -1.768 2.941) 3.601 13.252 ( -2.166 0.785 1.096) 2.551 13.422 ( -1.595 5.454 2.162) 6.080 13.495 ( -8.278 -4.512 -2.500) 9.754 13.535 ( -2.272 -3.124 6.325) 7.411 13.608 ( 0.286 -3.036 -0.454) 3.083 13.670 ( -0.412 1.055 -0.042) 1.134 13.801 ( 3.568 2.482 -4.696) 6.399 13.853 ( 2.614 1.945 -7.770) 8.425 14.239 ( -8.045 5.803 -7.826) 12.635 14.339 ( -2.659 2.769 3.672) 5.313 14.407 ( 3.520 3.133 -2.878) 5.522 14.451 ( -0.352 -0.830 -0.272) 0.942 14.528 ( 5.145 5.652 4.809) 9.030 14.584 ( 8.187 4.073 0.408) 9.153 14.844 ( -5.771 1.118 1.844) 6.161 14.940 ( -1.733 -4.385 0.087) 4.716 15.125 ( -3.987 0.361 -2.141) 4.539 15.308 ( 2.601 1.634 4.086) 5.112 15.369 ( -0.509 1.807 -0.587) 1.967 15.458 ( 2.777 3.771 1.367) 4.879 15.632 ( -2.952 3.986 -0.161) 4.963 15.684 ( -0.051 6.918 0.536) 6.939 15.912 ( -6.046 -6.268 7.264) 11.340 16.025 ( 1.006 -4.501 0.581) 4.649 16.192 ( -7.613 2.947 4.018) 9.099 16.265 ( 2.341 1.056 -0.187) 2.575 16.348 ( -1.168 -4.441 -0.088) 4.592 16.502 ( 6.144 -4.609 0.471) 7.695 16.650 ( 2.344 1.432 -3.956) 4.815 16.718 ( 6.742 1.892 -1.324) 7.126 16.858 ( 2.947 -1.084 0.641) 3.205 16.892 ( 5.220 -1.441 1.328) 5.575 19.212 ( 0.443 2.373 2.528) 3.495 19.298 ( 5.010 2.453 -0.701) 5.622 19.650 ( -1.257 -6.394 1.508) 6.689 19.664 ( -0.850 -5.038 -1.838) 5.430 21.023 ( 0.167 3.193 -0.392) 3.221 21.075 ( 2.253 5.819 0.947) 6.311 21.291 ( -4.677 -4.464 0.063) 6.466 21.384 ( -1.039 -1.961 -0.704) 2.328 25.088 ( -0.961 0.053 2.867) 3.024 25.094 ( -0.324 0.016 -1.398) 1.435 25.450 ( -0.149 -1.536 -1.162) 1.932 25.566 ( 5.303 -5.699 2.759) 8.259 25.981 ( -0.789 3.238 0.583) 3.384 26.020 ( 1.036 3.623 0.809) 3.855 26.269 ( -0.453 0.974 -0.172) 1.088 26.275 ( -0.211 0.559 0.605) 0.850 26.664 ( -3.062 1.250 -7.193) 7.917 26.825 ( 3.012 -3.050 -5.207) 6.744 27.116 ( 2.606 0.680 -0.630) 2.766 27.135 ( 4.209 -0.681 2.794) 5.097 27.262 ( 2.912 0.186 7.548) 8.093 27.318 ( 5.717 0.621 -1.625) 5.976 27.454 ( -2.103 -1.999 3.406) 4.474 27.530 ( 1.369 -3.005 -0.864) 3.413 27.585 ( -1.514 5.242 -1.879) 5.771 27.702 ( 4.754 8.582 3.288) 10.347 27.928 ( -5.991 -2.425 -4.679) 7.979 28.078 ( 2.308 -2.058 4.660) 5.593 28.183 ( -3.192 5.539 1.934) 6.679 28.273 ( 0.958 3.192 -0.470) 3.366 28.406 ( -5.029 0.734 -1.770) 5.382 28.485 ( -1.002 -1.674 -1.424) 2.415 28.615 ( -0.324 -3.511 -2.534) 4.342 28.653 ( 1.572 -2.892 -0.249) 3.301 28.913 ( -9.672 -6.217 0.141) 11.499 29.003 ( -7.225 -8.839 2.137) 11.615 29.243 ( -8.948 3.350 3.130) 10.054 29.387 ( -10.211 4.634 3.894) 11.870 29.441 ( -2.541 1.466 -3.565) 4.617 29.574 ( 4.827 0.925 -3.747) 6.180 29.903 ( 2.399 3.361 -1.624) 4.437 30.060 ( -0.342 0.858 -2.654) 2.810 30.291 ( 1.162 -0.443 7.614) 7.715 30.369 ( 2.943 -0.389 -5.669) 6.400 30.601 ( -9.429 -1.014 1.700) 9.635 30.943 ( -0.257 -9.141 1.232) 9.227 30.984 ( 11.947 4.146 -1.571) 12.743 31.276 ( 13.246 -2.707 -5.382) 14.551 ======================= Grid point 95 (50/63) ======================= q-point: ( 0.25 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -0.528 8.044 -21.110) 22.597 1.556 ( 4.406 6.191 1.958) 7.847 1.734 ( 12.792 6.740 -8.635) 16.841 1.768 ( -6.321 11.634 16.565) 21.207 1.894 ( 5.799 -0.419 -13.460) 14.661 2.048 ( -3.373 5.101 -2.749) 6.705 2.157 ( -6.805 -3.375 -1.121) 7.678 2.264 ( -5.307 -4.088 6.108) 9.066 2.406 ( -0.758 -7.252 1.169) 7.385 2.612 ( -2.801 -2.548 -2.548) 4.564 2.626 ( -1.208 -0.825 -2.646) 3.023 2.770 ( -3.107 1.876 0.276) 3.640 2.801 ( -1.083 1.371 -1.481) 2.290 2.846 ( -0.550 -8.238 3.913) 9.137 2.996 ( 7.475 1.407 -5.331) 9.288 3.061 ( 2.175 1.999 1.417) 3.277 3.115 ( 5.193 -3.700 -2.562) 6.872 3.130 ( 9.086 8.039 -0.956) 12.170 3.208 ( 0.838 -0.000 0.407) 0.932 3.324 ( 5.320 -2.760 -0.418) 6.008 3.356 ( 3.828 3.215 0.005) 4.999 3.421 ( 6.024 -1.114 -1.331) 6.269 3.478 ( -0.037 6.705 3.929) 7.772 3.623 ( 3.029 3.901 -3.318) 5.950 3.725 ( 2.480 -1.523 -1.748) 3.394 3.795 ( -3.005 -1.549 5.223) 6.222 3.861 ( -0.073 3.145 2.433) 3.977 4.039 ( 0.078 4.506 -3.048) 5.440 4.067 ( -0.236 9.440 -4.240) 10.352 4.102 ( 1.538 3.246 3.694) 5.152 4.187 ( -1.513 -4.457 -1.663) 4.992 4.253 ( -2.034 0.789 2.329) 3.192 4.340 ( -2.012 -3.097 -0.414) 3.716 4.427 ( 2.693 -0.548 -0.787) 2.859 4.460 ( -1.379 1.642 0.418) 2.185 4.521 ( 3.974 -4.571 -1.761) 6.308 4.578 ( -0.284 3.586 -1.383) 3.854 4.615 ( -1.949 -6.664 -2.619) 7.421 4.655 ( -3.657 -2.096 -2.295) 4.799 4.858 ( 0.665 1.100 -0.977) 1.615 4.935 ( -2.013 -5.299 3.197) 6.508 5.005 ( -0.573 -7.635 -0.978) 7.718 5.027 ( -1.756 4.244 4.519) 6.444 5.093 ( 3.636 0.305 -0.546) 3.689 5.107 ( -5.335 0.555 -0.051) 5.364 5.273 ( 0.431 4.245 -2.191) 4.796 5.318 ( 0.417 1.606 5.003) 5.271 5.377 ( -1.303 0.470 3.770) 4.017 5.452 ( -0.884 3.213 5.181) 6.160 5.544 ( -1.885 -1.648 0.042) 2.504 5.634 ( -3.794 -1.451 3.231) 5.190 5.689 ( -1.948 -3.474 0.968) 4.099 5.780 ( -3.295 -1.993 -1.533) 4.145 5.829 ( -2.081 -3.626 2.179) 4.714 5.939 ( -0.119 -1.019 -0.060) 1.028 5.950 ( 2.159 0.082 -0.997) 2.380 6.041 ( -0.680 -2.800 -1.431) 3.217 6.132 ( 2.379 -1.569 1.080) 3.048 6.216 ( -2.060 -5.142 -1.338) 5.699 6.367 ( 1.765 -5.364 0.857) 5.712 6.429 ( 0.742 1.673 3.232) 3.714 6.499 ( 0.870 -0.304 2.348) 2.523 6.587 ( -2.989 2.137 -1.846) 4.112 6.680 ( 1.445 -1.167 -0.274) 1.877 6.757 ( -5.631 1.626 -1.162) 5.975 6.903 ( -4.583 5.234 -2.605) 7.429 7.090 ( -3.409 -3.822 0.641) 5.161 7.151 ( 0.798 -0.522 -1.783) 2.022 7.325 ( 0.387 3.093 -2.487) 3.988 7.358 ( 1.757 2.879 1.259) 3.600 7.380 ( 2.706 2.170 -0.667) 3.532 7.548 ( -1.667 5.665 -3.302) 6.766 7.772 ( 0.626 -2.302 -4.073) 4.720 7.852 ( -2.263 0.610 0.489) 2.395 7.909 ( -0.990 -4.760 0.743) 4.918 8.000 ( 0.508 -1.286 -0.868) 1.632 8.273 ( -1.696 -2.660 -1.670) 3.569 8.334 ( -6.038 -1.128 -3.752) 7.198 8.399 ( -7.224 6.042 1.189) 9.492 8.429 ( -0.714 3.702 0.097) 3.771 8.574 ( -5.012 3.381 0.386) 6.058 8.749 ( -8.543 -0.151 1.016) 8.604 8.798 ( 0.777 4.491 4.324) 6.282 8.868 ( 0.026 -3.364 0.491) 3.400 8.960 ( 0.600 -1.245 -0.074) 1.384 9.053 ( -3.072 4.755 1.192) 5.785 9.125 ( 4.146 -2.304 -1.298) 4.918 9.237 ( 1.770 3.015 3.218) 4.752 9.326 ( 3.363 -2.260 -0.173) 4.055 9.363 ( -2.712 -3.109 5.475) 6.855 9.543 ( 1.776 -0.570 -3.389) 3.869 9.664 ( 1.354 -1.845 -0.064) 2.289 9.707 ( 0.688 -1.371 0.268) 1.557 9.780 ( 4.101 -6.543 -3.393) 8.434 9.928 ( -0.621 2.109 5.484) 5.908 10.086 ( 1.822 3.710 -3.477) 5.402 10.175 ( 2.653 -0.105 -0.921) 2.810 10.192 ( 1.826 2.115 1.109) 3.006 10.359 ( -1.934 -1.903 1.066) 2.915 10.486 ( -0.045 -1.291 1.859) 2.264 10.727 ( 0.622 -4.260 -3.097) 5.303 10.796 ( -5.516 -5.390 -1.221) 7.809 10.864 ( 0.974 -4.315 -0.819) 4.499 11.017 ( 0.011 1.692 1.040) 1.986 11.082 ( 1.542 -3.563 1.550) 4.181 11.157 ( -0.335 -0.503 0.551) 0.819 11.307 ( 0.605 4.834 3.845) 6.206 11.502 ( 1.529 1.454 3.548) 4.128 12.022 ( -0.185 0.068 1.040) 1.058 12.132 ( -1.791 -3.045 0.609) 3.585 12.162 ( -1.525 3.732 -1.569) 4.326 12.254 ( 0.047 0.092 -2.970) 2.972 12.361 ( 2.288 -4.748 -5.490) 7.610 12.413 ( -2.345 2.962 -1.984) 4.267 12.512 ( -1.612 0.756 -1.702) 2.463 12.551 ( -0.647 2.747 -2.664) 3.881 12.663 ( 1.376 0.821 -1.023) 1.901 12.685 ( 3.461 -0.081 -4.694) 5.833 12.803 ( 1.186 -3.988 1.590) 4.454 12.851 ( -1.513 -1.706 -2.151) 3.135 12.934 ( 0.193 -3.538 1.420) 3.817 13.080 ( 0.365 2.045 3.546) 4.109 13.127 ( -3.332 -0.891 6.430) 7.296 13.170 ( -7.527 -4.676 0.129) 8.862 13.229 ( -1.810 -1.126 -1.496) 2.604 13.375 ( 0.698 -1.659 1.690) 2.469 13.437 ( -1.374 0.507 5.170) 5.374 13.611 ( 3.490 -1.105 5.724) 6.795 13.623 ( 2.825 0.648 -2.869) 4.078 13.689 ( 1.996 0.801 -1.340) 2.534 13.776 ( 2.547 1.029 -6.476) 7.034 13.849 ( 3.862 2.834 -3.659) 6.028 14.045 ( -5.109 6.730 -6.370) 10.582 14.267 ( -7.209 5.022 3.535) 9.470 14.373 ( -5.484 3.225 -2.506) 6.838 14.465 ( 1.359 -6.188 -1.506) 6.512 14.600 ( 1.938 6.800 -1.800) 7.296 14.764 ( 5.620 6.266 3.006) 8.938 14.812 ( 1.292 0.991 3.463) 3.826 14.887 ( -2.396 -2.847 -1.478) 4.003 15.106 ( 0.624 -0.309 2.408) 2.507 15.332 ( -0.218 4.001 1.410) 4.247 15.397 ( 1.343 -3.190 0.778) 3.547 15.507 ( 0.503 1.209 1.470) 1.968 15.580 ( -2.865 3.845 0.016) 4.795 15.709 ( 0.241 6.777 2.801) 7.337 15.854 ( -5.157 -5.019 1.630) 7.378 16.077 ( 0.411 -0.443 3.445) 3.498 16.116 ( -5.631 4.401 6.094) 9.392 16.250 ( -1.767 -1.848 -1.492) 2.960 16.365 ( 2.579 1.255 -0.170) 2.873 16.577 ( -0.346 2.323 0.880) 2.508 16.648 ( 5.937 -6.147 -8.031) 11.727 16.823 ( 5.230 -2.606 0.778) 5.895 16.931 ( 3.376 -2.837 2.374) 5.008 17.018 ( 5.742 -3.006 2.489) 6.943 19.249 ( 0.910 2.075 2.120) 3.103 19.397 ( 3.302 -0.358 2.661) 4.256 19.612 ( 0.358 -3.555 -3.545) 5.033 19.648 ( -3.497 -6.078 3.550) 7.860 21.024 ( 1.333 3.136 -2.165) 4.037 21.121 ( 0.517 3.047 3.011) 4.314 21.239 ( -0.543 -1.482 0.400) 1.628 21.333 ( -3.554 1.227 -0.709) 3.826 25.076 ( 0.148 -0.037 -1.446) 1.454 25.091 ( -1.712 -0.165 1.416) 2.228 25.445 ( 1.517 0.150 -2.488) 2.918 25.646 ( 2.043 -6.455 -1.380) 6.910 25.989 ( -0.015 2.591 2.343) 3.493 26.044 ( 0.159 2.902 1.617) 3.325 26.243 ( -1.163 1.724 -1.767) 2.730 26.274 ( -1.184 0.227 0.458) 1.290 26.597 ( 3.074 2.253 -4.236) 5.698 26.795 ( 2.066 -2.613 -7.101) 7.843 27.101 ( 0.187 1.342 -4.214) 4.427 27.233 ( 3.494 -0.538 1.653) 3.903 27.361 ( 0.687 -5.051 1.462) 5.303 27.444 ( 3.825 -4.839 1.383) 6.321 27.508 ( 0.925 0.126 5.261) 5.343 27.570 ( 5.557 -1.198 2.875) 6.370 27.579 ( 4.759 4.080 -0.703) 6.308 27.783 ( -5.732 -0.471 -3.062) 6.515 27.843 ( 3.735 14.540 7.303) 16.694 28.100 ( -4.479 1.269 1.310) 4.836 28.175 ( -1.486 4.945 2.298) 5.652 28.217 ( -2.653 -1.385 -2.479) 3.886 28.339 ( 0.951 1.662 -2.302) 2.994 28.455 ( -1.160 -1.483 -1.648) 2.502 28.582 ( 0.844 -0.091 -2.994) 3.111 28.651 ( -1.130 -4.415 -1.007) 4.667 28.748 ( -8.123 -4.540 0.807) 9.341 28.887 ( -8.789 -8.686 4.175) 13.043 29.074 ( -11.050 3.795 0.674) 11.703 29.259 ( -9.361 5.030 6.653) 12.537 29.356 ( -3.164 1.201 -3.551) 4.905 29.638 ( 5.140 -2.441 -2.636) 6.270 29.926 ( 2.888 2.544 -6.167) 7.269 30.008 ( -1.848 2.389 -1.412) 3.334 30.273 ( -2.284 0.639 -4.536) 5.119 30.429 ( -1.141 3.881 7.154) 8.218 30.522 ( -2.239 -8.459 7.329) 11.414 30.997 ( 3.604 -11.952 1.985) 12.640 31.175 ( 12.128 5.403 -4.816) 14.123 31.402 ( 8.605 0.249 -6.994) 11.092 ======================= Grid point 96 (51/63) ======================= q-point: ( 0.38 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 23.871 4.758 9.525) 26.138 1.710 ( 7.336 8.045 4.444) 11.759 1.814 ( 2.621 -0.439 8.816) 9.208 1.893 ( 8.229 4.796 0.039) 9.525 1.978 ( 9.181 4.551 -2.037) 10.447 2.089 ( 2.953 2.369 5.297) 6.511 2.131 ( 5.593 2.962 0.416) 6.342 2.217 ( -8.758 1.786 9.610) 13.124 2.414 ( -1.189 -8.059 5.397) 9.772 2.563 ( -1.101 -0.883 0.073) 1.413 2.621 ( 1.784 0.642 0.724) 2.030 2.722 ( -3.855 -1.086 1.718) 4.358 2.756 ( -0.360 1.580 -2.785) 3.222 2.894 ( -1.803 -6.114 3.284) 7.171 2.977 ( -2.628 2.020 -2.665) 4.253 3.140 ( 5.103 2.645 0.935) 5.823 3.159 ( 0.498 -8.790 -2.889) 9.266 3.216 ( 0.821 2.824 1.519) 3.310 3.275 ( 1.696 1.347 -1.691) 2.748 3.314 ( 5.534 -0.921 -5.504) 7.859 3.452 ( -0.049 6.518 -3.121) 7.227 3.485 ( 7.869 3.838 3.306) 9.358 3.540 ( 5.138 -1.974 0.791) 5.561 3.670 ( 0.940 2.498 -0.031) 2.669 3.766 ( 1.049 -2.146 1.048) 2.609 3.807 ( 2.763 -1.357 1.968) 3.654 3.880 ( 1.564 6.160 -6.597) 9.161 3.993 ( -0.539 6.834 -0.426) 6.868 4.025 ( 2.318 1.840 -7.232) 7.814 4.098 ( -5.433 -0.849 -1.925) 5.826 4.142 ( -0.982 -0.296 0.950) 1.398 4.189 ( -4.392 1.992 -1.341) 5.005 4.286 ( -5.080 0.260 0.995) 5.183 4.381 ( -3.235 1.720 -7.053) 7.948 4.452 ( 1.035 4.177 -3.126) 5.319 4.517 ( -2.260 -1.353 -0.347) 2.656 4.537 ( -3.301 2.160 -0.229) 3.952 4.551 ( 1.105 -0.356 -3.162) 3.368 4.635 ( 2.564 -6.212 -3.307) 7.490 4.850 ( -0.019 -1.905 -2.566) 3.196 4.879 ( -5.740 -5.855 0.885) 8.247 4.940 ( -8.571 -1.852 0.005) 8.769 5.003 ( -0.612 -5.682 2.647) 6.298 5.079 ( 1.443 -2.853 -2.070) 3.809 5.198 ( -0.476 6.313 4.813) 7.953 5.231 ( -1.095 1.338 -0.238) 1.745 5.305 ( 2.327 4.209 -0.654) 4.853 5.405 ( -2.068 -1.040 2.663) 3.528 5.485 ( -3.378 -1.187 3.599) 5.077 5.529 ( 2.599 2.288 1.892) 3.946 5.620 ( -2.389 0.135 4.106) 4.753 5.676 ( -0.894 -3.789 0.953) 4.008 5.722 ( -2.256 0.031 -1.515) 2.718 5.808 ( -1.966 -0.736 -0.314) 2.123 5.873 ( -2.767 -7.367 -2.806) 8.355 6.026 ( 1.708 -4.235 -2.930) 5.425 6.037 ( 4.946 0.967 3.715) 6.261 6.103 ( -3.119 1.546 2.003) 4.016 6.253 ( 3.367 -3.511 0.298) 4.874 6.372 ( -1.258 -5.368 -0.435) 5.531 6.491 ( 0.743 -1.315 3.014) 3.371 6.515 ( -1.634 2.426 -0.099) 2.927 6.540 ( -1.735 -2.356 2.313) 3.730 6.604 ( -3.894 1.152 -2.924) 5.005 6.758 ( 0.053 -0.094 3.324) 3.325 6.826 ( -1.375 5.033 -1.865) 5.541 7.064 ( -0.521 -4.330 1.728) 4.691 7.126 ( -1.188 -2.594 -1.923) 3.440 7.321 ( 2.795 6.590 -2.198) 7.488 7.396 ( -1.576 1.617 1.690) 2.820 7.436 ( 2.711 1.633 -0.882) 3.285 7.492 ( 1.459 3.917 -0.225) 4.186 7.706 ( -0.800 0.319 -8.196) 8.241 7.822 ( -1.622 -1.776 -2.232) 3.281 7.885 ( -2.070 -6.675 1.557) 7.160 7.986 ( -0.039 -3.473 -2.506) 4.283 8.188 ( -1.311 2.918 -4.740) 5.718 8.227 ( -6.601 2.404 0.998) 7.096 8.330 ( -1.231 4.552 2.663) 5.416 8.459 ( 0.169 5.340 -1.087) 5.453 8.520 ( -0.295 0.569 0.850) 1.064 8.617 ( -7.149 2.086 1.949) 7.698 8.851 ( -1.074 -2.076 6.728) 7.123 8.903 ( 5.393 0.888 -2.168) 5.880 8.972 ( 0.453 -2.680 -0.068) 2.718 9.016 ( -4.649 3.161 3.925) 6.856 9.196 ( 4.298 -2.226 -0.325) 4.851 9.264 ( -1.249 2.028 -0.318) 2.403 9.358 ( -0.186 -1.420 2.854) 3.193 9.419 ( 1.923 -1.388 3.980) 4.633 9.511 ( -2.422 1.060 0.387) 2.672 9.660 ( -0.757 2.160 -2.960) 3.742 9.735 ( 3.476 -4.691 -0.649) 5.874 9.804 ( 1.665 -4.877 -2.008) 5.531 10.000 ( 0.786 1.766 6.630) 6.906 10.072 ( -0.481 3.451 0.021) 3.485 10.184 ( 0.860 7.274 0.053) 7.325 10.268 ( 6.075 -2.788 -4.409) 8.007 10.382 ( 1.118 -2.735 3.903) 4.895 10.512 ( 0.367 -2.266 1.832) 2.937 10.698 ( -4.447 -4.915 0.312) 6.635 10.714 ( 0.920 -5.215 -2.334) 5.787 10.898 ( 3.572 -1.925 1.526) 4.335 11.059 ( 1.422 -1.205 4.116) 4.519 11.136 ( 3.581 -2.115 0.847) 4.245 11.190 ( -0.900 -2.934 4.523) 5.466 11.331 ( -0.384 4.590 0.206) 4.611 11.490 ( -4.993 2.555 -0.585) 5.639 12.004 ( -2.194 0.282 -0.374) 2.243 12.083 ( -2.642 3.454 -3.615) 5.655 12.126 ( 1.009 -3.313 -0.494) 3.499 12.245 ( 1.522 -0.486 -2.798) 3.222 12.295 ( -1.215 -0.792 -5.510) 5.698 12.387 ( 1.210 -1.594 -5.103) 5.482 12.472 ( 1.207 -3.313 -3.657) 5.081 12.532 ( 0.722 5.172 -2.421) 5.756 12.600 ( -3.282 0.820 -4.567) 5.683 12.642 ( -4.198 0.855 -2.144) 4.791 12.828 ( 2.358 -6.320 -2.994) 7.380 12.848 ( 0.393 -3.415 2.254) 4.111 12.966 ( 0.191 -4.833 3.259) 5.832 13.008 ( -5.283 -1.837 -0.818) 5.652 13.124 ( -1.554 -0.116 3.626) 3.947 13.159 ( 0.393 0.110 2.073) 2.113 13.210 ( -0.876 2.682 3.116) 4.204 13.360 ( -4.977 2.624 3.811) 6.796 13.506 ( 1.944 -5.206 0.164) 5.560 13.664 ( 2.368 -2.129 2.846) 4.271 13.680 ( 0.701 0.224 -0.563) 0.926 13.739 ( 3.521 -1.103 -1.941) 4.169 13.807 ( 8.061 3.036 -0.538) 8.630 13.936 ( 6.045 0.636 -3.244) 6.889 13.953 ( 2.076 3.982 -0.265) 4.499 14.180 ( -7.052 4.048 3.851) 8.997 14.246 ( -7.022 8.559 0.559) 11.085 14.410 ( -2.913 -4.616 -3.715) 6.602 14.587 ( 1.051 6.846 -5.559) 8.881 14.727 ( -7.225 -1.137 -3.285) 8.017 14.886 ( 3.997 3.950 4.635) 7.284 14.956 ( 5.291 -0.289 0.081) 5.299 15.160 ( 1.570 -0.524 4.413) 4.713 15.362 ( 1.412 4.147 2.186) 4.896 15.409 ( 0.530 -3.095 -1.328) 3.409 15.514 ( -1.038 0.510 0.859) 1.441 15.539 ( -1.322 2.403 0.029) 2.743 15.647 ( -7.476 -2.831 -1.517) 8.137 15.842 ( 1.979 6.533 0.648) 6.857 16.017 ( -6.157 6.927 0.970) 9.318 16.178 ( 1.883 -1.015 5.580) 5.976 16.247 ( -0.761 -0.594 5.012) 5.104 16.395 ( 2.055 1.405 -1.906) 3.136 16.515 ( -3.178 5.539 -3.067) 7.085 16.704 ( 5.992 -7.551 -3.507) 10.258 16.889 ( 1.325 -4.785 -0.404) 4.981 17.011 ( 2.925 -3.132 2.817) 5.128 17.111 ( 3.103 -3.985 0.370) 5.064 19.285 ( 0.955 0.984 1.814) 2.274 19.410 ( -1.810 -0.906 -1.052) 2.281 19.608 ( -3.045 -5.490 3.133) 7.016 19.626 ( 0.989 -4.957 -0.302) 5.064 21.042 ( 3.079 4.270 -0.920) 5.344 21.150 ( -1.503 2.407 3.176) 4.259 21.262 ( 0.497 0.921 1.273) 1.648 21.274 ( -1.297 1.673 -0.021) 2.117 25.059 ( -0.840 -0.298 -1.015) 1.351 25.066 ( -0.903 -0.145 -1.229) 1.532 25.451 ( 1.898 1.172 -1.975) 2.980 25.608 ( -1.340 -2.954 -5.711) 6.568 26.024 ( 0.383 2.009 3.858) 4.367 26.073 ( 0.833 1.286 2.908) 3.287 26.204 ( -0.596 1.502 -2.766) 3.204 26.240 ( -2.005 0.233 -1.146) 2.321 26.649 ( 3.615 0.839 0.263) 3.720 26.769 ( 2.205 -1.578 -5.429) 6.068 27.078 ( 2.561 -0.056 -3.852) 4.626 27.249 ( -2.372 -4.163 -1.639) 5.064 27.390 ( 3.130 -3.128 -0.395) 4.443 27.452 ( -0.863 -2.335 0.315) 2.510 27.551 ( -0.279 1.562 2.691) 3.124 27.626 ( 0.001 -0.305 1.574) 1.604 27.678 ( -3.865 3.962 1.310) 5.688 27.788 ( 10.037 1.608 -0.603) 10.183 27.835 ( -3.510 6.662 -1.983) 7.787 28.092 ( -4.985 -0.549 -0.068) 5.016 28.143 ( -1.329 3.539 4.244) 5.683 28.235 ( 4.135 1.357 4.725) 6.424 28.366 ( 3.864 1.891 0.416) 4.322 28.412 ( -0.613 -1.833 -1.597) 2.507 28.585 ( 0.682 1.339 -1.675) 2.250 28.624 ( 0.181 -2.645 -0.752) 2.756 28.667 ( -2.682 0.293 -0.680) 2.783 28.832 ( -4.438 -6.863 9.564) 12.580 28.905 ( -9.277 2.520 0.418) 9.622 29.197 ( -4.600 -1.767 2.378) 5.472 29.271 ( -3.370 4.484 0.827) 5.669 29.660 ( 3.289 -1.784 -9.366) 10.086 29.905 ( 0.674 1.521 -0.934) 1.908 29.977 ( -0.735 3.656 -1.017) 3.865 30.227 ( 1.992 1.362 -2.593) 3.542 30.379 ( -9.057 -1.876 6.239) 11.157 30.672 ( 3.576 -6.567 11.873) 14.032 31.047 ( 0.725 -11.510 -0.795) 11.561 31.293 ( 7.542 5.318 -5.646) 10.819 31.437 ( 4.934 1.455 -8.759) 10.158 ======================= Grid point 97 (52/63) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -2.565 10.065 4.099) 11.166 1.857 ( -0.666 3.276 2.488) 4.167 1.958 ( 12.419 1.277 9.921) 15.947 2.060 ( 3.454 0.983 1.263) 3.807 2.077 ( 1.919 -2.131 2.364) 3.716 2.149 ( -1.587 0.622 0.860) 1.909 2.225 ( 12.384 1.384 4.720) 13.325 2.334 ( 5.955 3.063 4.603) 8.126 2.479 ( -1.076 0.905 -3.822) 4.072 2.552 ( 2.508 1.092 4.690) 5.430 2.597 ( -4.117 -2.076 -3.128) 5.571 2.696 ( -0.034 1.052 2.658) 2.858 2.736 ( 0.604 0.872 -0.798) 1.327 2.849 ( -2.333 -3.652 -4.995) 6.613 2.923 ( 0.761 0.680 2.324) 2.539 3.039 ( -3.776 -4.960 -8.534) 10.568 3.207 ( -3.608 -3.873 4.104) 6.698 3.242 ( -0.739 0.117 0.982) 1.235 3.282 ( -7.027 0.126 5.669) 9.029 3.361 ( -1.832 7.637 5.408) 9.536 3.423 ( 5.327 -1.321 -0.597) 5.521 3.555 ( -2.845 -0.258 5.114) 5.858 3.589 ( -5.743 6.463 -8.079) 11.833 3.700 ( -0.666 0.277 -3.502) 3.575 3.752 ( 5.092 2.331 4.716) 7.322 3.861 ( 2.008 -1.739 -2.449) 3.613 3.908 ( 6.121 0.014 -0.757) 6.167 3.940 ( -5.988 7.949 3.581) 10.577 3.980 ( 2.901 1.021 -10.214) 10.667 4.045 ( -3.356 0.774 2.362) 4.176 4.112 ( 0.251 3.382 3.823) 5.110 4.132 ( -0.167 1.237 -3.318) 3.545 4.175 ( -4.014 -0.435 -10.916) 11.638 4.249 ( 3.843 -0.477 -7.048) 8.042 4.453 ( -2.192 1.542 3.773) 4.628 4.492 ( -0.174 -0.786 0.372) 0.887 4.524 ( -0.186 2.562 -1.526) 2.988 4.533 ( 2.536 3.279 -3.417) 5.373 4.673 ( 3.173 -2.694 1.445) 4.406 4.738 ( -9.494 -4.350 -2.068) 10.646 4.826 ( -2.169 -5.506 -0.031) 5.918 4.851 ( 4.599 -3.852 -2.144) 6.371 5.022 ( -2.449 -4.692 5.262) 7.463 5.097 ( 1.475 -3.623 -2.135) 4.456 5.165 ( -0.387 5.583 0.952) 5.677 5.219 ( 1.590 3.517 -4.283) 5.766 5.395 ( 3.094 1.153 3.048) 4.494 5.422 ( 0.216 -1.706 -0.656) 1.840 5.499 ( 2.357 2.469 6.214) 7.090 5.577 ( 0.597 1.327 -0.379) 1.503 5.602 ( -3.551 0.668 2.288) 4.277 5.650 ( -2.446 -0.491 -3.618) 4.395 5.676 ( 0.434 -2.572 2.219) 3.424 5.741 ( -0.736 -0.597 -3.853) 3.968 5.890 ( 2.716 -7.462 3.255) 8.582 5.978 ( -1.091 -7.462 -5.110) 9.109 6.140 ( 2.452 1.146 5.274) 5.928 6.202 ( 3.270 -0.609 5.011) 6.015 6.258 ( 1.373 -1.220 -1.868) 2.619 6.332 ( -5.864 -1.561 -2.765) 6.668 6.434 ( -0.562 0.057 -0.750) 0.939 6.452 ( -2.377 -1.062 -2.522) 3.625 6.572 ( -0.583 -0.431 4.011) 4.076 6.595 ( 1.034 0.062 1.230) 1.608 6.785 ( -0.282 -0.087 2.845) 2.860 6.810 ( 0.501 2.071 -0.266) 2.147 7.072 ( -2.222 -2.628 -0.020) 3.441 7.108 ( 4.095 -2.519 -2.735) 5.531 7.360 ( -2.000 2.633 0.067) 3.307 7.369 ( 1.960 2.436 -0.475) 3.163 7.452 ( 0.913 3.578 2.780) 4.622 7.526 ( -1.750 2.765 -1.089) 3.449 7.667 ( 5.058 -0.664 -2.749) 5.795 7.717 ( -4.460 -0.437 -5.732) 7.276 7.894 ( -0.824 -7.217 3.083) 7.891 7.957 ( 1.071 -4.030 -3.207) 5.261 8.119 ( -6.257 5.089 1.875) 8.280 8.197 ( 7.433 3.303 -5.709) 9.938 8.362 ( 0.252 4.390 3.799) 5.811 8.428 ( 0.029 3.412 -2.689) 4.344 8.542 ( -2.325 2.014 2.312) 3.848 8.572 ( 2.608 2.053 0.224) 3.326 8.902 ( -0.737 -4.430 5.130) 6.818 8.953 ( -6.189 -1.389 3.000) 7.017 8.964 ( 1.958 -0.099 -1.399) 2.408 9.006 ( 5.526 2.992 -1.824) 6.543 9.194 ( -4.737 2.655 2.371) 5.925 9.272 ( 5.073 -3.526 -4.414) 7.593 9.376 ( -3.024 -2.956 5.297) 6.778 9.446 ( 0.699 -0.747 -2.406) 2.615 9.517 ( -1.198 6.117 6.643) 9.110 9.616 ( -1.006 1.015 -2.109) 2.547 9.773 ( 0.362 -1.177 -0.798) 1.467 9.796 ( 1.457 -4.460 -3.010) 5.574 10.056 ( -0.128 2.246 3.531) 4.187 10.085 ( 1.238 1.399 1.236) 2.240 10.209 ( -0.083 3.656 1.180) 3.843 10.283 ( 1.445 -1.202 -5.056) 5.394 10.447 ( 0.285 -2.978 4.875) 5.720 10.516 ( -0.269 -2.165 -1.209) 2.494 10.657 ( -1.836 -4.310 1.974) 5.083 10.713 ( 2.278 -4.719 -3.164) 6.121 11.034 ( 6.586 -2.193 6.374) 9.424 11.093 ( -4.239 -7.463 2.686) 8.994 11.176 ( -1.349 -0.810 2.241) 2.738 11.226 ( 2.821 1.930 -2.231) 4.082 11.311 ( 0.728 2.448 0.424) 2.589 11.358 ( -5.623 3.390 -2.963) 7.203 11.977 ( -0.014 0.060 0.348) 0.354 12.023 ( 0.303 1.808 -3.880) 4.291 12.156 ( 1.066 -3.919 2.399) 4.717 12.199 ( -3.071 0.327 -2.403) 3.913 12.283 ( 2.476 -3.216 -1.601) 4.363 12.324 ( -1.581 -5.244 -5.646) 7.866 12.473 ( -2.831 1.212 -1.437) 3.398 12.484 ( 0.178 3.540 -2.672) 4.439 12.545 ( 1.671 4.116 -0.635) 4.487 12.566 ( -0.781 4.110 -1.893) 4.592 12.825 ( -4.411 -5.925 1.451) 7.528 12.854 ( 3.236 -7.863 -1.592) 8.651 12.953 ( -2.994 -0.562 2.946) 4.238 13.011 ( 3.996 -2.863 -2.219) 5.394 13.124 ( -2.929 -0.328 3.905) 4.892 13.187 ( 3.059 -0.811 -2.521) 4.046 13.247 ( -0.798 2.711 5.917) 6.557 13.331 ( 0.422 5.012 0.256) 5.036 13.508 ( -3.562 -5.835 4.787) 8.346 13.647 ( -0.898 -3.854 -2.106) 4.483 13.724 ( -0.762 -0.031 -0.757) 1.075 13.748 ( 4.792 -1.686 -5.686) 7.624 13.912 ( -1.641 1.244 2.434) 3.188 13.978 ( 1.003 1.269 -3.326) 3.699 14.058 ( 6.562 3.544 4.789) 8.863 14.121 ( -6.032 2.759 0.302) 6.640 14.217 ( 3.780 3.753 6.802) 8.639 14.337 ( 0.291 0.791 -5.035) 5.105 14.541 ( 0.481 4.953 -3.486) 6.076 14.577 ( -3.066 4.015 -5.779) 7.675 14.965 ( -0.310 0.309 3.189) 3.219 15.009 ( 2.045 -0.275 -1.765) 2.715 15.241 ( 0.021 -2.297 6.691) 7.074 15.364 ( -0.293 -1.847 -4.353) 4.738 15.438 ( 2.648 4.521 2.569) 5.836 15.491 ( -2.792 4.018 -1.744) 5.194 15.504 ( -2.231 -1.315 2.391) 3.525 15.561 ( 2.147 -1.717 -3.054) 4.109 15.875 ( -2.188 8.723 2.933) 9.459 15.943 ( 1.044 7.982 -2.505) 8.431 16.256 ( 0.575 -1.631 4.944) 5.237 16.290 ( -0.412 -2.980 4.142) 5.119 16.388 ( -2.116 3.539 0.046) 4.124 16.454 ( 0.769 3.700 -3.663) 5.263 16.760 ( -0.942 -6.304 3.082) 7.080 16.865 ( 1.825 -1.535 -6.117) 6.565 17.080 ( 1.101 -5.285 3.026) 6.189 17.127 ( -0.655 -4.753 -1.608) 5.061 19.318 ( 0.228 -0.492 2.290) 2.353 19.364 ( -0.454 0.488 -2.388) 2.479 19.585 ( -3.000 -5.782 4.040) 7.665 19.650 ( 2.711 -5.851 -2.092) 6.780 21.095 ( -0.910 4.668 1.862) 5.107 21.128 ( 1.509 5.630 -1.218) 5.954 21.269 ( -0.364 0.050 2.112) 2.144 21.288 ( 0.007 0.511 0.249) 0.568 25.036 ( -0.727 -0.264 -0.386) 0.864 25.041 ( -0.583 -0.226 -0.958) 1.144 25.471 ( 1.309 0.876 0.277) 1.599 25.518 ( -2.473 0.018 -4.529) 5.160 26.075 ( 0.464 1.887 4.575) 4.970 26.125 ( 1.186 0.418 3.111) 3.355 26.166 ( -0.218 1.104 -3.190) 3.383 26.191 ( -1.533 0.123 -2.333) 2.794 26.702 ( 1.862 -0.151 0.527) 1.941 26.749 ( 1.038 -0.977 -4.540) 4.759 27.120 ( 3.885 -2.832 -0.601) 4.845 27.148 ( -4.537 -3.490 -3.420) 6.668 27.427 ( -2.932 -1.854 0.891) 3.582 27.439 ( 2.260 -2.048 -0.246) 3.059 27.572 ( 0.069 2.420 2.520) 3.494 27.601 ( -2.141 1.216 -0.302) 2.481 27.658 ( -2.835 6.478 4.351) 8.303 27.754 ( 0.957 4.525 -3.540) 5.825 27.942 ( -5.826 -2.037 -0.006) 6.172 27.966 ( 5.570 -1.587 -0.931) 5.866 28.198 ( 0.412 3.096 5.448) 6.279 28.286 ( 0.932 2.646 -2.967) 4.083 28.423 ( 1.558 -1.828 1.744) 2.968 28.447 ( -0.486 -0.410 0.981) 1.169 28.584 ( -1.007 0.825 1.798) 2.219 28.628 ( 0.765 1.665 -0.956) 2.067 28.693 ( 6.028 0.463 2.096) 6.399 28.734 ( -5.883 2.008 -2.724) 6.787 28.920 ( 0.718 -4.761 9.528) 10.675 29.108 ( -0.623 -6.504 -8.310) 10.571 29.308 ( -0.622 6.252 11.307) 12.935 29.577 ( 2.459 1.902 -14.535) 14.864 29.925 ( -0.184 2.693 2.469) 3.658 29.959 ( -0.302 3.871 -1.032) 4.018 30.266 ( -7.692 -3.111 3.986) 9.205 30.313 ( 7.862 -1.983 -0.964) 8.165 30.827 ( -0.582 -7.348 12.691) 14.677 31.002 ( -3.162 -10.526 -3.296) 11.474 31.309 ( -1.505 5.930 -2.092) 6.466 31.425 ( 6.133 0.979 -10.889) 12.536 ======================= Grid point 98 (53/63) ======================= q-point: (-0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -18.901 9.066 8.560) 22.643 1.718 ( -26.439 4.177 -15.113) 30.739 1.876 ( -1.348 5.081 -6.234) 8.154 2.011 ( -5.468 -5.357 -7.231) 10.530 2.104 ( -4.862 -3.506 -5.392) 8.063 2.139 ( 5.265 0.878 -6.362) 8.304 2.281 ( 3.534 6.163 -8.197) 10.848 2.375 ( 0.488 -1.876 -3.520) 4.019 2.535 ( 3.512 -0.902 -0.136) 3.629 2.568 ( -2.519 -4.844 -4.118) 6.839 2.674 ( -0.239 1.453 -0.786) 1.669 2.705 ( 5.730 3.738 -1.942) 7.112 2.744 ( 6.829 1.761 1.953) 7.318 2.865 ( 1.581 -0.658 3.688) 4.067 2.924 ( -6.549 -1.645 4.103) 7.901 3.014 ( -0.195 2.113 5.406) 5.808 3.084 ( -10.930 -0.894 5.210) 12.141 3.134 ( -10.332 -3.026 2.348) 11.019 3.219 ( -5.297 2.412 3.391) 6.736 3.345 ( -8.219 6.600 -4.219) 11.354 3.379 ( -6.594 1.922 5.150) 8.585 3.470 ( -1.234 0.601 2.698) 3.027 3.569 ( 0.731 4.484 4.568) 6.443 3.692 ( -1.616 4.796 1.998) 5.441 3.786 ( -0.146 2.339 -5.965) 6.409 3.852 ( -3.522 -0.492 -4.065) 5.401 3.879 ( 3.387 -0.680 -3.052) 4.610 3.920 ( 2.843 -2.329 0.281) 3.686 4.016 ( -0.760 -3.283 2.555) 4.228 4.062 ( 1.822 2.437 -1.898) 3.586 4.109 ( 0.843 0.010 -0.930) 1.256 4.179 ( 8.394 3.524 9.193) 12.938 4.191 ( 3.650 2.949 1.299) 4.869 4.351 ( 10.712 0.150 -3.264) 11.199 4.444 ( -1.028 1.987 0.901) 2.412 4.446 ( -2.560 -3.119 -0.545) 4.072 4.518 ( -0.867 -2.120 -0.256) 2.305 4.562 ( -0.208 -3.490 2.748) 4.447 4.616 ( 0.994 3.135 -3.849) 5.062 4.755 ( 1.421 3.663 5.675) 6.903 4.872 ( 5.096 -6.804 1.668) 8.662 4.951 ( 5.618 -4.216 -0.615) 7.051 5.031 ( 0.092 -4.612 3.445) 5.757 5.054 ( -1.950 -1.688 -2.643) 3.693 5.200 ( 1.841 1.674 -0.391) 2.519 5.253 ( 5.688 5.980 -1.368) 8.366 5.417 ( 1.544 1.119 -3.163) 3.693 5.442 ( 0.763 -3.839 -3.871) 5.505 5.524 ( -1.844 1.741 -0.594) 2.604 5.569 ( 2.701 1.143 -2.029) 3.566 5.634 ( 1.635 0.723 5.716) 5.989 5.641 ( 2.283 1.587 3.885) 4.778 5.723 ( 2.129 -0.278 -3.511) 4.116 5.760 ( 4.733 -2.580 3.163) 6.250 5.907 ( -0.088 -8.703 -5.775) 10.445 5.967 ( 1.734 -5.348 2.513) 6.158 6.128 ( -9.274 -0.027 -4.821) 10.452 6.171 ( 0.750 1.090 -4.355) 4.552 6.226 ( -0.230 -0.981 3.072) 3.233 6.343 ( 0.112 -4.167 3.140) 5.219 6.442 ( 2.949 -0.018 4.845) 5.672 6.492 ( 2.193 0.619 1.377) 2.662 6.573 ( -1.688 0.498 0.992) 2.021 6.613 ( 1.087 -0.645 -1.553) 2.002 6.803 ( 1.117 1.012 0.234) 1.525 6.821 ( 0.417 1.367 -1.286) 1.923 7.044 ( -0.903 -1.967 1.551) 2.663 7.158 ( 5.058 -4.474 -4.535) 8.135 7.281 ( -4.693 3.581 -0.142) 5.905 7.395 ( -0.884 2.717 0.003) 2.858 7.483 ( 2.739 4.333 -2.157) 5.562 7.535 ( -3.341 2.291 5.119) 6.528 7.571 ( -0.216 1.678 -4.438) 4.750 7.760 ( 3.181 -3.176 1.988) 4.915 7.896 ( -0.703 -1.138 1.509) 2.016 7.942 ( -1.803 -5.644 -0.049) 5.925 8.124 ( 5.262 2.297 2.046) 6.095 8.283 ( 7.185 0.339 -4.221) 8.340 8.375 ( -0.709 3.294 -0.367) 3.389 8.441 ( 2.923 5.722 -0.277) 6.431 8.536 ( 1.180 2.886 -0.733) 3.203 8.647 ( 5.366 2.258 -0.157) 5.824 8.871 ( -4.139 -1.332 0.747) 4.411 8.921 ( -1.741 -3.805 3.674) 5.568 8.966 ( 1.840 -1.708 -3.646) 4.427 9.089 ( 4.757 4.308 -2.450) 6.870 9.143 ( -4.704 0.877 3.533) 5.948 9.294 ( -0.834 -0.114 0.252) 0.879 9.360 ( -0.409 -4.391 -1.518) 4.664 9.439 ( -0.558 0.343 1.198) 1.366 9.553 ( -1.733 2.338 2.813) 4.048 9.594 ( 0.381 3.560 0.606) 3.631 9.731 ( -1.837 -4.398 -1.349) 4.954 9.807 ( 1.347 -3.932 -2.150) 4.679 10.072 ( -0.159 3.936 -0.082) 3.940 10.120 ( 1.511 -2.462 -0.735) 2.981 10.159 ( -5.965 -1.383 -0.245) 6.128 10.250 ( 0.679 4.829 -3.364) 5.924 10.440 ( -3.107 -3.684 -0.577) 4.854 10.512 ( -0.099 -1.869 0.622) 1.972 10.659 ( -1.190 -3.164 2.957) 4.491 10.735 ( 3.871 -4.170 -2.910) 6.390 10.961 ( -6.292 -4.231 -3.223) 8.238 11.115 ( -5.590 -0.127 -0.317) 5.600 11.162 ( -3.015 0.017 -4.128) 5.112 11.239 ( 6.020 -5.672 3.305) 8.907 11.303 ( 0.537 3.983 0.938) 4.127 11.435 ( 6.565 1.045 4.862) 8.236 11.993 ( 1.711 0.748 0.520) 1.938 12.042 ( 4.366 1.098 -0.644) 4.547 12.106 ( -4.860 -3.284 0.412) 5.880 12.206 ( -2.715 1.453 3.449) 4.623 12.240 ( 0.020 -0.538 -2.136) 2.203 12.317 ( 1.563 -2.908 0.781) 3.392 12.406 ( -2.919 -1.262 1.685) 3.599 12.492 ( 0.225 5.774 0.763) 5.828 12.565 ( 2.719 2.724 -0.438) 3.873 12.614 ( 3.590 3.141 1.147) 4.906 12.779 ( -1.764 -6.017 1.492) 6.445 12.879 ( -0.206 -4.746 -1.227) 4.906 12.959 ( 1.794 -2.744 3.534) 4.820 13.039 ( 1.252 -0.954 -2.949) 3.342 13.124 ( 0.652 -2.918 1.414) 3.308 13.202 ( 1.686 2.122 -1.614) 3.154 13.278 ( -0.585 1.048 0.525) 1.310 13.383 ( 5.737 3.538 -1.303) 6.865 13.479 ( -6.789 -6.238 5.718) 10.849 13.622 ( -2.693 -0.937 3.154) 4.251 13.690 ( -1.871 -1.084 -1.509) 2.637 13.753 ( 1.061 -0.597 -5.080) 5.224 13.807 ( -6.493 1.490 0.916) 6.725 13.942 ( -5.664 -0.520 -2.884) 6.377 13.971 ( -4.552 1.255 -1.689) 5.015 14.255 ( 4.886 -0.075 -2.958) 5.713 14.278 ( 8.343 4.088 1.018) 9.347 14.385 ( 4.999 5.450 -3.086) 8.014 14.525 ( 1.056 4.804 -0.065) 4.919 14.622 ( 7.221 1.157 5.669) 9.253 14.934 ( -4.785 1.885 -0.120) 5.144 14.989 ( -1.687 1.023 -3.168) 3.732 15.222 ( -3.739 -1.805 -0.407) 4.172 15.374 ( 1.918 -1.407 0.666) 2.471 15.408 ( -1.893 4.569 -1.995) 5.333 15.508 ( -0.254 1.220 1.690) 2.100 15.555 ( 3.922 2.289 -0.308) 4.552 15.612 ( 7.869 -4.728 1.218) 9.261 15.831 ( -3.885 10.074 1.623) 10.918 16.010 ( 6.100 5.979 0.030) 8.542 16.271 ( -2.280 -1.379 -2.818) 3.878 16.295 ( -0.926 -1.852 2.643) 3.357 16.369 ( -1.868 0.472 3.205) 3.740 16.453 ( 1.961 2.094 -1.453) 3.216 16.688 ( -6.519 -0.343 -0.141) 6.530 16.896 ( 3.742 -4.948 -0.880) 6.266 17.059 ( -4.386 -3.877 -2.443) 6.343 17.096 ( -2.132 -5.061 1.775) 5.772 19.310 ( -1.262 0.404 -0.282) 1.355 19.387 ( 3.141 -0.653 0.615) 3.267 19.585 ( -1.799 -6.310 3.358) 7.371 19.682 ( 4.058 -6.088 -3.043) 7.924 21.036 ( -3.967 5.646 -0.077) 6.900 21.197 ( 4.548 4.582 -1.195) 6.566 21.269 ( -1.801 0.887 0.955) 2.223 21.272 ( -1.278 0.081 -0.099) 1.284 25.031 ( -0.399 -0.432 1.564) 1.670 25.037 ( 0.215 -0.417 1.201) 1.290 25.438 ( -3.057 1.536 -1.181) 3.619 25.504 ( 0.063 -0.175 3.390) 3.396 26.109 ( -0.395 1.416 -3.946) 4.211 26.128 ( 0.533 2.118 2.347) 3.206 26.142 ( -1.042 0.221 -1.620) 1.939 26.196 ( 1.777 -0.331 3.358) 3.813 26.703 ( -0.499 -1.208 -3.940) 4.151 26.721 ( -0.646 -0.868 -1.352) 1.732 27.033 ( -4.048 0.143 0.056) 4.051 27.214 ( 4.169 -4.764 1.551) 6.517 27.371 ( -4.291 -1.744 1.177) 4.779 27.454 ( -0.432 -1.988 0.187) 2.043 27.576 ( -0.161 2.337 -0.280) 2.359 27.593 ( -2.275 3.224 4.317) 5.849 27.671 ( -1.589 2.050 4.832) 5.484 27.771 ( 3.423 7.238 -2.020) 8.257 27.815 ( -4.863 -1.671 -0.559) 5.173 28.086 ( 6.295 -2.347 0.565) 6.742 28.236 ( -0.942 2.718 -1.146) 3.097 28.263 ( 1.025 2.147 -0.928) 2.554 28.407 ( -1.233 -1.405 -0.335) 1.899 28.436 ( -4.346 1.431 -4.079) 6.130 28.554 ( -3.469 2.159 1.037) 4.216 28.586 ( -1.995 -0.649 1.942) 2.859 28.668 ( 4.424 2.182 -1.742) 5.231 28.903 ( 10.317 -0.258 0.829) 10.354 28.983 ( -0.377 -8.021 -0.989) 8.091 29.102 ( 6.631 -4.025 1.216) 7.852 29.435 ( 1.159 4.424 10.823) 11.749 29.490 ( 4.794 5.235 -13.729) 15.456 29.928 ( -1.774 1.936 -0.270) 2.640 29.951 ( 0.158 3.436 0.877) 3.550 30.175 ( -4.733 0.652 2.370) 5.334 30.479 ( 11.198 -4.906 -2.875) 12.559 30.824 ( -9.512 -9.673 0.849) 13.593 30.953 ( -1.496 -9.458 5.047) 10.824 31.221 ( -6.947 6.502 0.714) 9.541 31.421 ( 3.898 0.528 -8.421) 9.294 ======================= Grid point 99 (54/63) ======================= q-point: (-0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -25.934 8.898 -6.819) 28.253 1.411 ( -21.657 10.510 15.133) 28.434 1.754 ( -6.128 -7.588 -5.401) 11.149 1.777 ( -0.753 3.811 -8.998) 9.801 2.067 ( 1.726 -1.869 -5.502) 6.061 2.138 ( 5.397 4.148 -11.813) 13.633 2.226 ( 4.819 5.427 -9.575) 12.015 2.344 ( -6.422 -5.719 5.001) 9.948 2.423 ( -4.692 -3.008 0.888) 5.644 2.591 ( -13.187 3.645 6.655) 15.214 2.605 ( 0.931 -2.730 -1.550) 3.275 2.635 ( -9.018 3.803 -0.263) 9.791 2.828 ( 0.375 4.139 0.544) 4.191 2.846 ( 6.185 2.195 -2.095) 6.889 2.902 ( -4.739 -4.341 -0.917) 6.492 2.993 ( -0.173 3.689 6.061) 7.097 3.067 ( -1.587 -0.193 0.918) 1.844 3.114 ( -0.696 -3.559 3.589) 5.102 3.156 ( -5.212 3.124 4.697) 7.681 3.264 ( 0.106 7.734 2.046) 8.001 3.312 ( -5.287 -4.055 2.276) 7.041 3.463 ( -3.449 4.236 1.289) 5.613 3.565 ( -4.468 2.566 2.245) 5.621 3.672 ( 0.359 -1.804 -9.099) 9.283 3.728 ( 0.976 6.002 -1.164) 6.192 3.785 ( -3.177 3.460 1.672) 4.986 3.915 ( 2.872 0.741 0.255) 2.977 3.985 ( 0.939 -1.483 2.703) 3.223 4.025 ( 3.309 0.568 -1.278) 3.593 4.124 ( 0.947 -4.098 4.954) 6.499 4.180 ( 5.218 -1.258 0.528) 5.393 4.228 ( 2.102 0.700 -1.677) 2.779 4.355 ( 1.571 1.472 5.409) 5.822 4.379 ( -0.538 -2.036 -1.624) 2.660 4.436 ( -0.208 2.720 -1.079) 2.933 4.478 ( -1.321 -6.667 1.191) 6.900 4.548 ( 4.685 -3.481 3.402) 6.756 4.586 ( 2.725 2.495 -0.042) 3.695 4.655 ( 3.787 1.841 -1.804) 4.581 4.812 ( -1.036 4.377 3.304) 5.581 4.940 ( -0.394 -3.515 1.928) 4.029 4.997 ( 2.073 -5.488 -0.525) 5.890 5.045 ( 1.402 -1.055 2.547) 3.093 5.087 ( 2.725 -3.415 0.674) 4.421 5.215 ( 1.424 2.855 -4.611) 5.607 5.297 ( -0.355 -0.555 -9.657) 9.680 5.350 ( 4.952 4.058 -0.134) 6.404 5.486 ( 3.048 0.329 -2.124) 3.730 5.515 ( -0.616 1.956 -0.093) 2.052 5.599 ( 2.625 1.059 -4.575) 5.380 5.697 ( 4.795 -0.808 -0.603) 4.899 5.705 ( 0.059 0.324 -1.339) 1.379 5.754 ( 4.317 -2.356 -0.100) 4.919 5.841 ( 2.176 -0.548 0.726) 2.358 5.906 ( 2.456 -6.474 1.023) 6.999 5.964 ( -2.620 -2.156 -2.350) 4.127 6.020 ( 1.409 -2.519 1.713) 3.356 6.171 ( 0.334 -0.520 -2.643) 2.715 6.202 ( -1.536 -4.382 0.493) 4.669 6.365 ( -0.949 -5.104 1.148) 5.317 6.474 ( -2.867 -0.009 -0.600) 2.929 6.538 ( 1.143 1.400 2.942) 3.453 6.549 ( -0.824 3.236 -1.381) 3.614 6.655 ( 3.806 -0.914 2.128) 4.455 6.775 ( -1.989 3.232 -3.275) 5.013 6.848 ( 3.725 2.201 0.964) 4.433 7.077 ( 0.656 -3.431 3.957) 5.278 7.142 ( -1.465 -3.855 -4.380) 6.016 7.262 ( 1.261 4.411 2.973) 5.467 7.368 ( -1.179 3.317 -0.297) 3.533 7.418 ( -3.879 2.416 -3.347) 5.665 7.540 ( 4.642 5.721 -1.530) 7.525 7.654 ( 1.511 1.176 6.161) 6.452 7.805 ( -1.024 -3.559 3.681) 5.221 7.906 ( 0.388 0.024 1.421) 1.473 7.941 ( -0.416 -1.531 3.940) 4.247 8.271 ( 5.429 -0.178 3.020) 6.215 8.314 ( 3.059 -3.829 -4.444) 6.616 8.415 ( 6.999 3.045 -0.779) 7.672 8.461 ( 0.965 4.751 -1.932) 5.218 8.582 ( 5.104 6.207 -1.028) 8.101 8.745 ( 4.473 0.423 1.598) 4.769 8.843 ( 0.203 -1.391 -0.981) 1.714 8.938 ( 1.247 -3.587 1.630) 4.133 8.963 ( 3.685 -1.302 -6.382) 7.484 9.067 ( -4.376 2.834 0.809) 5.276 9.120 ( -0.549 3.214 -1.837) 3.743 9.253 ( -5.797 -0.380 5.609) 8.076 9.339 ( 1.673 -2.001 -6.207) 6.733 9.442 ( -1.235 -0.586 1.593) 2.099 9.511 ( -2.689 -0.708 -1.782) 3.303 9.623 ( 0.173 3.213 2.692) 4.195 9.717 ( 0.034 -6.047 -0.437) 6.063 9.783 ( -0.539 -7.180 -3.241) 7.896 10.015 ( -4.950 3.437 -2.078) 6.374 10.072 ( -0.942 0.501 -2.681) 2.885 10.109 ( -3.337 -1.338 2.780) 4.545 10.269 ( 5.297 3.814 -3.748) 7.527 10.377 ( -2.093 -3.779 -0.937) 4.420 10.500 ( -1.826 -1.755 0.558) 2.593 10.666 ( -2.037 -1.767 3.446) 4.376 10.785 ( 3.493 -4.558 -0.721) 5.788 10.863 ( -1.484 -3.286 -1.190) 3.797 11.040 ( -3.380 -0.773 2.418) 4.227 11.074 ( -2.117 0.042 -3.394) 4.000 11.238 ( -1.060 -4.194 -4.730) 6.410 11.372 ( 2.833 1.960 -1.261) 3.669 11.544 ( 1.196 0.232 -0.058) 1.220 12.025 ( -0.887 -0.943 1.758) 2.183 12.113 ( 2.231 -3.057 5.015) 6.282 12.121 ( 3.861 2.992 1.608) 5.143 12.172 ( -0.683 1.522 1.742) 2.412 12.261 ( -0.038 -0.759 3.207) 3.296 12.356 ( 1.090 2.349 2.343) 3.492 12.419 ( 0.649 -0.678 5.832) 5.907 12.508 ( 0.140 4.691 1.664) 4.979 12.628 ( 2.278 2.309 1.453) 3.554 12.642 ( -1.097 1.657 0.247) 2.002 12.808 ( 3.199 -3.801 1.843) 5.298 12.856 ( 0.325 -3.076 -2.715) 4.115 12.975 ( -2.348 -2.533 -2.366) 4.186 13.085 ( 4.272 -1.744 3.558) 5.827 13.175 ( 4.198 -2.465 -0.051) 4.868 13.220 ( 1.082 1.380 -1.048) 2.043 13.226 ( -3.361 -0.390 -2.433) 4.167 13.386 ( -5.359 -2.305 0.389) 5.847 13.479 ( 3.809 2.588 1.153) 4.747 13.580 ( -5.822 2.350 4.533) 7.744 13.604 ( -6.106 -0.078 -1.302) 6.244 13.675 ( -4.546 -1.669 3.541) 5.999 13.788 ( -5.090 -0.494 0.803) 5.176 13.840 ( 6.242 -4.717 -11.345) 13.781 13.936 ( 2.179 5.660 3.813) 7.164 14.350 ( 5.104 2.238 -3.461) 6.560 14.370 ( 6.911 4.116 -1.617) 8.205 14.438 ( 2.368 0.854 0.169) 2.523 14.569 ( 1.904 4.270 1.234) 4.835 14.808 ( 0.181 1.577 4.569) 4.837 14.823 ( -1.417 1.475 -1.265) 2.405 14.901 ( -1.690 3.585 -5.230) 6.563 15.165 ( -1.211 -1.079 -2.700) 3.150 15.362 ( -0.599 4.452 -1.345) 4.689 15.401 ( 0.206 -1.470 -0.516) 1.572 15.524 ( 0.872 1.287 0.566) 1.655 15.592 ( 2.631 1.570 -1.734) 3.521 15.762 ( -1.612 7.890 -2.498) 8.431 15.825 ( 8.135 -5.715 5.275) 11.254 16.125 ( 5.851 3.436 1.604) 6.972 16.174 ( -3.885 -1.331 -4.015) 5.743 16.299 ( 0.047 -1.406 -1.194) 1.845 16.354 ( -0.508 0.155 -1.070) 1.195 16.480 ( -2.682 -3.384 5.130) 6.706 16.605 ( -1.117 4.078 -1.099) 4.369 16.892 ( -3.035 -7.387 -4.502) 9.168 16.964 ( -3.860 -2.013 -0.477) 4.379 17.055 ( -3.025 -2.661 -0.048) 4.029 19.289 ( -0.105 1.651 -1.619) 2.315 19.444 ( 1.537 -2.041 -0.933) 2.720 19.564 ( -3.288 -5.754 1.299) 6.753 19.718 ( 3.616 -6.493 -3.687) 8.296 20.986 ( -1.927 5.233 1.256) 5.716 21.187 ( -1.890 2.177 -3.226) 4.326 21.238 ( -1.507 -0.523 0.259) 1.616 21.306 ( 3.022 2.574 2.255) 4.565 25.040 ( -0.743 -0.208 2.001) 2.145 25.086 ( 2.700 -1.952 2.781) 4.340 25.394 ( -2.288 1.789 1.751) 3.392 25.548 ( -1.168 -2.861 7.126) 7.768 26.058 ( -0.397 1.452 -4.486) 4.732 26.090 ( -0.302 1.519 -3.121) 3.484 26.188 ( 1.386 2.734 3.765) 4.855 26.257 ( 1.540 -0.356 2.606) 3.048 26.609 ( -4.636 -0.353 -5.687) 7.346 26.699 ( -1.516 -1.763 2.155) 3.170 27.020 ( -0.031 2.868 3.178) 4.281 27.253 ( -1.788 -0.967 -0.107) 2.036 27.339 ( -0.826 -5.333 2.526) 5.959 27.441 ( -1.511 -3.593 1.488) 4.173 27.538 ( -9.189 3.368 2.949) 10.222 27.571 ( -0.807 0.203 -1.281) 1.528 27.638 ( -3.297 -0.101 -0.787) 3.391 27.764 ( 3.281 -1.465 -2.292) 4.262 27.920 ( 8.868 14.279 3.300) 17.129 28.118 ( -4.295 -0.114 -4.211) 6.016 28.201 ( 1.732 -0.496 0.133) 1.807 28.259 ( 1.899 5.343 -4.818) 7.441 28.304 ( -3.025 1.802 0.511) 3.558 28.431 ( 2.707 -2.340 0.119) 3.580 28.520 ( -3.041 3.972 2.538) 5.609 28.619 ( 1.625 -5.127 2.248) 5.829 28.752 ( 6.414 0.228 -0.129) 6.419 28.965 ( 2.555 -11.516 -2.410) 12.039 29.086 ( 10.034 0.485 0.247) 10.049 29.259 ( 7.550 -2.296 2.767) 8.363 29.460 ( 6.255 5.553 -9.603) 12.735 29.552 ( 1.376 4.209 5.313) 6.916 29.868 ( -3.591 -0.459 -1.203) 3.815 29.971 ( 0.104 2.875 2.417) 3.757 30.166 ( -0.942 4.380 4.880) 6.625 30.571 ( -1.453 0.046 -5.679) 5.862 30.650 ( -1.760 -13.010 -4.057) 13.741 30.966 ( -2.932 -10.762 4.486) 12.022 31.101 ( -8.898 6.049 2.574) 11.063 31.368 ( -2.383 0.880 -5.548) 6.102 ======================= Grid point 100 (55/63) ======================= q-point: (-0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 10.283 10.307 32.853) 35.935 1.243 ( -17.087 12.205 20.030) 29.020 1.680 ( 4.555 3.250 -13.416) 14.537 1.808 ( 5.540 -9.069 11.070) 15.345 2.047 ( 2.766 4.255 -3.663) 6.259 2.145 ( 8.801 2.549 -11.499) 14.703 2.238 ( -12.173 1.193 16.754) 20.743 2.305 ( -8.721 10.857 10.479) 17.428 2.348 ( 1.097 -2.161 -2.311) 3.348 2.436 ( -0.129 -4.978 2.068) 5.392 2.608 ( -0.647 -0.943 3.108) 3.312 2.686 ( 6.665 -2.577 2.283) 7.502 2.790 ( -1.984 1.169 0.589) 2.377 2.858 ( -0.707 3.253 -0.148) 3.333 2.963 ( 6.635 -1.794 -1.459) 7.026 2.983 ( -4.557 1.776 1.523) 5.123 3.029 ( -3.184 -0.528 -0.292) 3.241 3.122 ( -0.097 4.869 -2.174) 5.333 3.142 ( -0.897 -3.361 3.849) 5.188 3.225 ( -6.620 -4.064 0.501) 7.784 3.308 ( -0.230 3.561 2.754) 4.507 3.368 ( -4.377 3.850 -4.781) 7.539 3.551 ( 1.228 2.386 -0.162) 2.689 3.591 ( 0.857 -0.298 -2.528) 2.685 3.711 ( -1.761 5.694 -2.326) 6.398 3.782 ( 1.052 2.029 1.481) 2.723 3.947 ( 0.443 -0.381 -3.781) 3.826 4.005 ( -0.961 1.890 1.158) 2.416 4.061 ( -0.865 4.283 2.838) 5.210 4.149 ( -0.066 2.548 -6.792) 7.254 4.186 ( 1.609 -3.869 1.963) 4.627 4.267 ( -4.190 -3.522 2.147) 5.880 4.348 ( -0.730 -0.666 -1.192) 1.548 4.377 ( -0.960 -2.793 -5.478) 6.224 4.446 ( 0.820 -4.212 3.104) 5.296 4.477 ( 2.893 -0.188 4.833) 5.636 4.592 ( 1.724 -1.178 -2.072) 2.942 4.635 ( -2.116 -0.915 -3.623) 4.294 4.704 ( 5.118 -2.410 4.159) 7.021 4.818 ( -0.880 3.626 2.533) 4.510 4.912 ( -1.950 0.975 -0.919) 2.366 5.034 ( -0.559 -4.450 -4.458) 6.323 5.058 ( 1.733 -3.051 2.768) 4.469 5.129 ( 0.837 4.726 -7.387) 8.809 5.163 ( 1.458 -3.931 1.790) 4.559 5.282 ( 1.468 -0.885 -0.992) 1.980 5.375 ( -1.933 5.816 -9.151) 11.014 5.442 ( 1.730 4.131 -2.715) 5.238 5.491 ( -0.114 0.551 -2.443) 2.507 5.598 ( -0.061 1.234 -5.493) 5.630 5.680 ( -0.348 0.388 1.238) 1.343 5.756 ( 1.362 -4.170 -2.962) 5.293 5.803 ( 1.320 -5.092 0.275) 5.267 5.893 ( 3.036 -1.123 0.043) 3.237 5.933 ( -0.037 -0.802 1.427) 1.638 5.940 ( 1.411 -4.335 -2.832) 5.367 6.051 ( 0.742 -2.826 -2.444) 3.809 6.101 ( -2.471 -5.739 -3.641) 7.231 6.230 ( 1.376 -1.954 3.413) 4.166 6.339 ( -1.326 -3.661 -0.481) 3.924 6.434 ( -0.673 3.739 -0.784) 3.879 6.489 ( -2.725 2.101 -1.585) 3.789 6.598 ( 1.752 2.699 3.109) 4.474 6.656 ( -1.170 0.029 -1.686) 2.052 6.846 ( 5.834 2.730 7.252) 9.699 6.939 ( 4.410 0.725 1.965) 4.882 7.062 ( -5.278 -3.369 3.783) 7.316 7.142 ( 1.957 -2.157 2.018) 3.544 7.337 ( -1.631 2.395 -0.486) 2.938 7.348 ( 1.613 5.563 -3.204) 6.619 7.367 ( 4.242 2.200 1.617) 5.044 7.569 ( -0.780 3.771 -1.058) 3.994 7.731 ( 2.123 0.098 4.041) 4.566 7.810 ( -2.855 -0.784 4.786) 5.627 7.927 ( -0.436 2.132 2.396) 3.237 7.996 ( 2.324 -2.453 0.650) 3.441 8.306 ( 2.999 2.232 -0.876) 3.839 8.340 ( 0.110 -0.741 -1.191) 1.407 8.492 ( 4.523 4.395 -0.533) 6.329 8.581 ( 6.354 -0.363 2.041) 6.683 8.678 ( 6.990 5.598 0.076) 8.956 8.797 ( 2.455 -1.886 -0.803) 3.198 8.813 ( -1.729 -3.062 -2.554) 4.346 8.970 ( -1.232 -2.189 0.734) 2.616 8.983 ( 3.844 -0.022 -4.380) 5.828 9.022 ( -2.441 -0.055 2.556) 3.534 9.095 ( 4.117 3.304 -3.795) 6.501 9.205 ( -6.177 -0.387 2.432) 6.649 9.314 ( 2.130 -2.827 -2.297) 4.220 9.419 ( -1.701 -1.191 -1.527) 2.578 9.461 ( -0.559 0.795 -0.032) 0.972 9.642 ( -1.740 1.096 1.926) 2.817 9.647 ( -6.572 -1.909 1.527) 7.012 9.779 ( 3.628 -8.593 -4.959) 10.564 9.925 ( -5.525 2.184 2.604) 6.487 10.037 ( 1.378 1.427 -4.187) 4.634 10.106 ( -0.141 0.872 2.315) 2.478 10.271 ( 0.306 -0.699 -5.539) 5.591 10.415 ( 4.286 -3.549 1.894) 5.878 10.480 ( -1.558 -1.731 2.005) 3.073 10.666 ( -1.344 -1.735 4.669) 5.159 10.804 ( -0.188 -3.420 1.196) 3.628 10.903 ( 3.421 -5.361 1.122) 6.458 11.008 ( -2.269 -3.063 0.001) 3.812 11.073 ( 2.460 0.931 1.702) 3.133 11.171 ( -0.371 0.115 -2.457) 2.488 11.361 ( 0.638 2.740 -6.178) 6.788 11.483 ( -4.429 -0.437 -3.739) 5.813 12.022 ( -0.351 -0.011 0.196) 0.402 12.100 ( -5.234 -5.309 3.093) 8.071 12.218 ( 4.893 -1.971 -1.902) 5.608 12.236 ( 1.022 -1.222 3.611) 3.947 12.312 ( 2.880 0.644 4.175) 5.113 12.442 ( 3.892 6.457 4.603) 8.833 12.491 ( -1.220 2.882 6.923) 7.597 12.535 ( -0.868 4.031 1.729) 4.471 12.595 ( -0.885 2.478 -0.703) 2.724 12.665 ( 1.619 1.034 -1.604) 2.503 12.822 ( 0.059 -1.144 -4.362) 4.509 12.876 ( 0.721 -0.778 -1.399) 1.755 12.927 ( 0.750 -3.648 -0.563) 3.767 13.090 ( -8.174 -4.038 -0.793) 9.152 13.121 ( 0.195 2.691 -2.549) 3.712 13.224 ( -0.121 -2.535 1.781) 3.101 13.291 ( 5.028 1.917 0.168) 5.384 13.398 ( 2.546 -1.009 4.060) 4.897 13.471 ( -5.017 0.370 -0.278) 5.038 13.506 ( -1.792 1.913 6.269) 6.795 13.621 ( 5.269 2.274 -0.487) 5.759 13.652 ( -3.368 -3.199 5.900) 7.509 13.746 ( 0.192 -0.396 -1.003) 1.095 13.850 ( 6.187 -1.023 -9.173) 11.111 14.071 ( 5.258 4.011 7.685) 10.139 14.380 ( -1.032 -0.263 -0.161) 1.077 14.410 ( 0.581 0.710 -2.200) 2.384 14.467 ( 2.668 5.642 -1.808) 6.498 14.593 ( -0.730 4.200 -0.593) 4.304 14.639 ( -7.267 6.888 -5.615) 11.480 14.878 ( 4.187 3.696 -1.358) 5.748 14.932 ( 2.461 -5.693 0.406) 6.215 15.126 ( 0.492 0.723 -2.107) 2.281 15.357 ( 0.632 3.847 -0.844) 3.988 15.380 ( -0.991 -1.165 -1.365) 2.050 15.513 ( -2.250 1.492 -3.857) 4.708 15.619 ( 1.718 4.663 0.491) 4.993 15.690 ( -2.293 7.452 -0.012) 7.797 16.001 ( 6.336 -9.288 -0.884) 11.278 16.076 ( -1.638 -4.160 -4.119) 6.079 16.227 ( 0.371 -0.767 4.363) 4.446 16.283 ( 2.982 1.710 -3.496) 4.903 16.337 ( -0.504 -1.421 -1.471) 2.107 16.444 ( -6.478 -4.564 4.922) 9.329 16.615 ( 1.989 2.590 -1.117) 3.451 16.766 ( -5.080 -2.003 -4.294) 6.947 16.882 ( -3.930 -0.998 -1.222) 4.235 16.949 ( -6.958 0.063 -5.139) 8.650 19.269 ( -0.332 2.307 -2.368) 3.323 19.325 ( -8.122 1.890 -4.110) 9.296 19.579 ( 0.914 -4.932 3.788) 6.286 19.726 ( 1.545 -7.156 -3.548) 8.135 20.990 ( -0.373 4.517 2.184) 5.031 21.115 ( -2.776 4.412 -2.280) 5.689 21.266 ( 3.469 -4.299 2.186) 5.941 21.372 ( 1.964 -0.902 1.217) 2.481 25.047 ( -0.903 0.383 2.361) 2.557 25.147 ( 2.354 -3.246 -1.356) 4.233 25.395 ( -0.501 0.109 3.454) 3.492 25.566 ( -4.547 -6.541 3.509) 8.705 26.014 ( -0.153 2.817 -3.131) 4.215 26.067 ( 0.133 2.294 -3.042) 3.812 26.246 ( 1.212 2.707 1.678) 3.407 26.281 ( -0.808 -0.128 0.209) 0.845 26.532 ( 1.497 2.352 4.786) 5.538 26.722 ( 0.194 -2.054 4.312) 4.780 27.068 ( 0.764 3.161 3.863) 5.049 27.189 ( -3.573 -0.363 -2.104) 4.162 27.291 ( -9.469 -1.377 0.723) 9.596 27.371 ( -2.770 -1.499 -2.418) 3.971 27.479 ( -0.992 -2.244 2.128) 3.248 27.536 ( -0.566 -1.116 -2.232) 2.559 27.585 ( -0.228 2.428 -1.987) 3.146 27.791 ( -2.330 3.368 -3.735) 5.543 27.889 ( 1.220 5.393 -2.940) 6.263 28.172 ( -1.300 -1.647 -4.489) 4.956 28.225 ( 3.117 2.300 0.001) 3.873 28.265 ( 0.447 4.990 -0.176) 5.013 28.348 ( 9.766 3.702 3.919) 11.156 28.463 ( -0.054 -0.990 0.907) 1.344 28.532 ( 1.034 -0.519 3.856) 4.026 28.653 ( 0.149 -5.398 0.494) 5.422 28.892 ( 8.257 -2.313 2.082) 8.824 29.014 ( 2.921 -13.442 1.095) 13.799 29.272 ( 9.968 1.305 0.823) 10.087 29.395 ( 5.797 0.764 0.390) 5.861 29.498 ( 3.840 2.501 -1.926) 4.971 29.555 ( -0.717 1.892 -7.043) 7.328 29.830 ( 0.124 3.997 5.135) 6.508 29.998 ( -1.183 1.133 3.688) 4.035 30.216 ( -1.634 2.841 8.058) 8.699 30.402 ( -6.663 -3.205 -2.490) 7.802 30.674 ( 5.820 -1.690 -4.598) 7.607 30.945 ( -4.713 -8.176 1.734) 9.596 30.977 ( -3.583 2.043 -1.001) 4.244 31.229 ( -8.793 0.297 -1.863) 8.993 ======================= Grid point 101 (56/63) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -2.374 14.036 10.822) 17.882 1.666 ( 6.168 -2.633 -3.974) 7.796 1.798 ( 6.046 10.547 23.339) 26.315 1.962 ( 8.063 1.239 1.677) 8.329 2.007 ( 2.472 -10.855 9.651) 14.734 2.052 ( 3.910 -6.284 -6.467) 9.828 2.298 ( 0.398 6.001 -11.642) 13.104 2.380 ( -1.995 -2.896 -11.254) 11.791 2.499 ( 4.071 2.822 7.215) 8.752 2.545 ( -7.156 9.480 9.037) 14.925 2.604 ( 3.755 -5.390 6.444) 9.202 2.708 ( -8.188 -7.374 -1.810) 11.167 2.807 ( -0.145 4.940 7.532) 9.009 2.869 ( 5.565 -0.723 7.446) 9.324 2.944 ( 2.079 1.719 3.002) 4.036 2.988 ( 0.146 -2.591 0.848) 2.731 3.022 ( -1.175 4.027 -0.084) 4.196 3.061 ( -1.775 -1.250 -3.010) 3.711 3.090 ( -4.863 0.687 -5.034) 7.033 3.128 ( -1.287 -0.601 -5.442) 5.624 3.341 ( 0.755 5.981 4.846) 7.735 3.450 ( -0.250 2.852 1.218) 3.111 3.540 ( 1.460 -0.221 -0.617) 1.601 3.627 ( -2.889 -2.298 -4.397) 5.741 3.829 ( 7.027 0.808 7.633) 10.407 3.850 ( -1.127 0.459 6.104) 6.224 3.879 ( 2.724 4.002 0.580) 4.876 3.959 ( -2.747 -0.584 -1.419) 3.147 4.054 ( -6.117 -1.365 -8.742) 10.756 4.091 ( -4.243 -3.812 -9.659) 11.218 4.196 ( -0.061 4.750 -0.053) 4.751 4.239 ( 1.806 1.816 -4.519) 5.194 4.334 ( 3.654 1.475 4.264) 5.805 4.349 ( 3.459 -0.453 2.821) 4.486 4.442 ( 0.137 2.737 -1.116) 2.960 4.467 ( -1.730 -4.602 -1.413) 5.115 4.496 ( -1.175 -2.705 -3.083) 4.267 4.536 ( 0.524 -4.584 -6.363) 7.860 4.777 ( 0.211 -0.754 5.731) 5.784 4.826 ( -1.990 -4.135 1.403) 4.798 4.900 ( -0.054 1.806 -0.235) 1.822 4.922 ( -0.948 0.388 -1.336) 1.684 5.083 ( 2.796 -0.677 0.362) 2.899 5.112 ( 0.320 -3.274 -0.330) 3.306 5.233 ( 2.743 5.755 2.486) 6.843 5.288 ( -0.193 2.236 -1.153) 2.524 5.369 ( -1.195 2.023 -4.090) 4.717 5.419 ( -5.044 -1.208 -6.094) 8.002 5.533 ( 0.005 5.109 -1.220) 5.253 5.573 ( -0.478 2.246 -3.765) 4.410 5.662 ( -1.829 -1.797 1.204) 2.832 5.681 ( -1.346 0.437 -0.968) 1.714 5.699 ( 0.132 -5.206 3.619) 6.342 5.773 ( -1.923 -7.621 -3.600) 8.645 5.912 ( 1.839 -0.757 -0.709) 2.111 5.933 ( 1.266 -2.240 -2.581) 3.644 5.976 ( 0.308 -0.517 -2.386) 2.460 5.992 ( 1.606 -1.727 -3.888) 4.547 6.266 ( 1.313 -0.455 2.648) 2.990 6.280 ( 0.732 -2.050 1.130) 2.453 6.447 ( -2.045 1.121 -1.149) 2.600 6.457 ( -1.149 0.004 -1.777) 2.116 6.682 ( -0.114 1.915 2.191) 2.912 6.695 ( 1.579 0.752 0.967) 1.999 6.963 ( -5.378 1.950 6.378) 8.568 7.013 ( -2.352 -3.335 7.881) 8.875 7.048 ( 5.379 3.253 -2.300) 6.693 7.122 ( 3.217 -4.297 -2.706) 6.011 7.389 ( 0.409 5.332 0.639) 5.385 7.426 ( 1.137 3.760 -2.988) 4.935 7.478 ( 2.606 -1.508 0.563) 3.063 7.503 ( -2.579 -1.839 -1.983) 3.737 7.805 ( 0.398 0.182 2.542) 2.580 7.811 ( 0.029 -0.384 1.686) 1.729 7.979 ( -0.136 1.419 1.150) 1.831 7.991 ( -0.362 0.432 -0.679) 0.883 8.328 ( -3.231 1.687 2.478) 4.408 8.365 ( -0.097 -1.243 -0.753) 1.456 8.635 ( -1.562 3.360 3.077) 4.817 8.705 ( 3.125 -0.069 2.686) 4.122 8.722 ( 2.196 -0.439 -5.044) 5.519 8.767 ( 0.808 -0.755 -3.357) 3.535 8.880 ( -0.185 3.150 0.470) 3.190 8.896 ( -0.615 0.592 -0.149) 0.867 8.942 ( -2.059 1.165 2.770) 3.643 9.012 ( 4.304 -3.690 -3.188) 6.504 9.138 ( -5.240 3.103 3.188) 6.874 9.213 ( 3.770 0.470 -3.573) 5.216 9.261 ( -0.410 -1.444 1.427) 2.071 9.317 ( -0.801 -1.107 -3.793) 4.032 9.498 ( 0.430 -2.023 1.216) 2.399 9.546 ( -0.579 -6.525 -3.059) 7.229 9.655 ( 1.111 1.462 0.897) 2.043 9.673 ( -0.710 1.067 -0.286) 1.313 9.960 ( -1.069 4.509 2.893) 5.463 10.026 ( 2.203 -1.621 -3.121) 4.150 10.136 ( 1.135 -1.017 0.733) 1.691 10.162 ( -1.064 -3.916 -1.678) 4.391 10.432 ( -2.045 -0.904 2.158) 3.107 10.441 ( 0.610 -1.672 1.130) 2.108 10.708 ( 1.383 2.587 4.317) 5.219 10.770 ( 0.019 -0.606 -0.786) 0.992 10.837 ( -0.243 -4.136 0.738) 4.208 10.879 ( -0.655 -5.356 -2.724) 6.045 11.206 ( 2.667 4.140 4.539) 6.697 11.255 ( 4.800 -0.956 4.633) 6.740 11.317 ( -2.980 2.785 -5.820) 7.107 11.353 ( -4.711 -0.793 -4.693) 6.697 11.996 ( -1.915 -0.593 1.883) 2.751 12.008 ( 0.284 -1.467 0.377) 1.541 12.168 ( -0.894 -1.745 0.254) 1.977 12.189 ( 1.494 -3.656 -2.027) 4.439 12.483 ( 0.849 1.376 2.753) 3.192 12.495 ( -3.333 0.227 1.640) 3.722 12.574 ( 1.056 1.827 1.671) 2.692 12.598 ( 1.292 -0.672 -1.031) 1.784 12.679 ( -0.291 1.371 1.334) 1.935 12.692 ( 0.606 1.020 0.427) 1.261 12.819 ( 2.664 3.897 0.124) 4.722 12.867 ( 1.465 -1.412 -3.815) 4.324 12.915 ( -3.977 5.252 3.739) 7.575 12.986 ( -1.407 2.572 -2.347) 3.756 13.166 ( 1.992 -1.193 1.737) 2.900 13.179 ( -2.229 -2.249 0.035) 3.167 13.288 ( -4.197 0.282 2.558) 4.923 13.345 ( 1.051 -4.657 -1.482) 4.999 13.476 ( 2.482 0.148 1.751) 3.041 13.512 ( 1.487 -4.077 -1.374) 4.552 13.663 ( -6.426 1.762 4.822) 8.224 13.696 ( -6.142 -1.224 3.208) 7.037 13.795 ( 8.066 3.373 -3.738) 9.508 13.838 ( 7.026 -1.680 -5.627) 9.157 14.291 ( 3.192 2.469 8.737) 9.624 14.336 ( 1.730 -2.444 6.428) 7.092 14.479 ( -0.258 3.029 -5.766) 6.519 14.522 ( -3.377 -0.798 -7.991) 8.712 14.617 ( -1.210 11.227 1.713) 11.421 14.684 ( -0.087 9.594 -5.397) 11.008 14.805 ( -0.488 -8.739 1.475) 8.876 14.850 ( -0.432 -7.870 -3.644) 8.683 15.259 ( 1.996 5.132 0.506) 5.530 15.298 ( -1.195 1.038 -2.902) 3.305 15.476 ( 2.652 3.523 -0.416) 4.429 15.491 ( -1.268 2.721 -2.292) 3.777 15.763 ( 1.717 4.823 0.839) 5.188 15.778 ( -1.546 5.107 0.310) 5.345 15.844 ( -6.375 -4.123 0.539) 7.611 15.897 ( 1.409 -8.085 -3.912) 9.092 16.207 ( -0.462 -3.247 3.140) 4.540 16.211 ( -1.568 -3.557 2.258) 4.496 16.334 ( -2.194 1.864 1.514) 3.252 16.372 ( 2.908 -2.027 -1.887) 4.016 16.690 ( 2.414 1.486 -0.738) 2.929 16.697 ( 0.136 0.713 -1.178) 1.384 16.847 ( -2.106 1.107 -1.139) 2.638 16.855 ( -0.272 0.442 -1.874) 1.944 19.280 ( -2.922 4.817 1.205) 5.761 19.321 ( 0.630 2.053 -2.985) 3.677 19.520 ( 0.126 -3.537 2.137) 4.134 19.568 ( 1.540 -7.073 -2.767) 7.750 21.132 ( 1.885 7.139 1.805) 7.601 21.158 ( -2.253 6.085 -0.922) 6.554 21.254 ( 3.103 -5.842 1.504) 6.783 21.274 ( -3.131 -6.659 -0.123) 7.360 25.078 ( -0.363 1.078 2.374) 2.633 25.102 ( -0.412 -1.574 0.343) 1.663 25.416 ( 0.427 -0.558 1.875) 2.002 25.434 ( -1.132 -2.390 0.429) 2.679 26.057 ( -0.065 2.551 -0.726) 2.653 26.068 ( -0.395 1.373 -1.727) 2.241 26.275 ( -0.375 0.388 0.763) 0.934 26.280 ( -0.124 -0.149 0.371) 0.418 26.711 ( 5.315 0.333 3.522) 6.384 26.730 ( 1.540 -1.563 1.694) 2.772 27.083 ( -1.695 0.180 -1.858) 2.522 27.092 ( -1.902 -0.757 -2.593) 3.304 27.264 ( -1.211 4.819 5.402) 7.340 27.338 ( 0.225 -1.446 -0.253) 1.485 27.419 ( -2.021 -0.166 0.259) 2.044 27.465 ( 0.082 -3.289 -2.955) 4.422 27.718 ( 2.454 6.715 2.904) 7.717 27.781 ( -0.191 2.471 -2.411) 3.458 27.928 ( 0.443 -0.599 0.554) 0.929 27.992 ( -4.098 -5.131 -4.781) 8.123 28.317 ( 1.651 3.551 0.055) 3.916 28.324 ( -1.871 4.055 -0.640) 4.511 28.430 ( -0.482 -2.495 2.139) 3.322 28.460 ( -1.683 -4.264 -0.728) 4.641 28.586 ( 0.409 3.168 2.757) 4.220 28.623 ( 1.431 0.144 -0.624) 1.568 28.876 ( -0.012 -4.697 1.070) 4.817 28.908 ( 1.686 -6.738 -1.559) 7.119 29.404 ( -5.256 3.912 4.434) 7.912 29.469 ( -1.525 -2.604 0.617) 3.080 29.509 ( 2.617 3.761 -1.926) 4.970 29.555 ( 5.183 -0.818 -3.737) 6.442 29.992 ( -0.933 1.752 1.889) 2.740 30.008 ( 4.045 0.070 0.290) 4.056 30.270 ( -2.742 1.918 5.371) 6.328 30.307 ( -0.359 -2.107 2.113) 3.006 30.815 ( -1.407 3.236 0.061) 3.529 30.838 ( 0.881 2.282 -1.574) 2.909 30.950 ( -1.565 -3.719 -2.018) 4.511 30.980 ( 4.939 -5.402 -4.602) 8.646 ======================= Grid point 102 (57/63) ======================= q-point: ( 0.12 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 2.510 12.345 2.420) 12.828 1.718 ( 7.180 -0.920 -11.821) 13.861 1.889 ( -6.284 7.268 -12.861) 16.054 1.917 ( -4.104 2.228 -9.926) 10.970 2.018 ( 2.020 0.967 1.434) 2.659 2.109 ( 1.273 -8.126 -10.737) 13.525 2.147 ( -3.419 6.961 0.252) 7.760 2.294 ( -1.794 -3.473 6.370) 7.473 2.445 ( -8.345 -0.072 -1.926) 8.564 2.519 ( -8.605 -8.484 -2.376) 12.316 2.633 ( 2.387 3.295 4.041) 5.735 2.725 ( 0.226 -5.956 6.472) 8.798 2.849 ( -2.854 1.347 -2.743) 4.181 2.898 ( -3.380 -3.764 -4.994) 7.108 2.939 ( 0.206 2.946 2.519) 3.881 2.990 ( 0.694 -1.179 -3.422) 3.685 3.051 ( 3.615 2.377 2.707) 5.104 3.084 ( 4.208 -2.112 3.118) 5.648 3.126 ( 5.659 4.679 7.838) 10.740 3.173 ( 6.598 -1.286 1.861) 6.975 3.404 ( 1.092 8.351 -2.054) 8.669 3.439 ( 2.293 6.714 1.039) 7.170 3.543 ( 1.276 0.908 -4.112) 4.400 3.626 ( 2.809 -4.525 4.546) 7.002 3.803 ( -4.111 7.076 -5.201) 9.697 3.845 ( -1.344 5.624 -0.678) 5.822 3.901 ( -2.329 -1.498 -1.769) 3.286 3.988 ( 3.955 -7.813 -1.539) 8.892 4.078 ( 3.086 -0.933 6.739) 7.471 4.096 ( 7.407 -2.984 8.249) 11.481 4.198 ( 0.802 5.495 -0.358) 5.565 4.246 ( 3.990 3.889 -0.893) 5.643 4.347 ( -0.728 -3.412 -5.610) 6.606 4.352 ( -1.110 1.184 -5.150) 5.400 4.415 ( -1.891 -1.032 -0.407) 2.192 4.468 ( 1.190 1.685 3.400) 3.977 4.514 ( 2.046 -7.433 -2.954) 8.256 4.527 ( 3.132 -2.116 3.730) 5.311 4.764 ( -4.430 1.416 0.872) 4.732 4.825 ( -1.603 -4.583 4.210) 6.426 4.895 ( -0.338 2.340 -0.908) 2.533 4.939 ( 0.629 -1.751 -0.474) 1.920 5.077 ( 0.552 0.234 -2.288) 2.366 5.129 ( 2.257 -2.421 -2.978) 4.452 5.186 ( -4.936 4.386 -0.966) 6.673 5.263 ( -4.768 -2.302 -1.904) 5.626 5.336 ( 2.089 7.163 5.158) 9.071 5.406 ( -0.536 -0.628 4.600) 4.674 5.496 ( -2.930 2.744 0.513) 4.047 5.540 ( -1.829 -1.745 -0.586) 2.595 5.635 ( -1.918 1.534 2.966) 3.851 5.680 ( -1.255 -0.479 0.848) 1.589 5.711 ( -0.258 -5.251 1.419) 5.445 5.749 ( -0.245 -5.547 1.184) 5.677 5.933 ( 1.295 0.810 -1.397) 2.070 5.949 ( 1.580 -1.464 -1.999) 2.939 5.974 ( 3.503 -1.366 -0.014) 3.760 5.997 ( 2.448 -3.129 -2.128) 4.507 6.259 ( -2.436 -0.129 -2.021) 3.168 6.280 ( -0.790 -2.249 -1.216) 2.677 6.435 ( -0.565 1.365 3.045) 3.384 6.454 ( 0.156 -0.845 2.263) 2.421 6.674 ( -1.553 2.407 -0.163) 2.869 6.697 ( -0.876 0.202 -1.607) 1.841 6.908 ( -6.233 3.572 3.509) 7.995 6.991 ( -4.802 -4.729 2.758) 7.282 7.098 ( 3.088 3.121 -3.682) 5.730 7.158 ( 2.867 -2.610 -5.135) 6.435 7.382 ( -0.091 3.631 -0.203) 3.638 7.420 ( -3.690 0.023 -1.535) 3.997 7.434 ( 1.784 5.273 -1.183) 5.691 7.528 ( 1.799 -4.170 1.449) 4.767 7.796 ( -1.486 1.057 -1.078) 2.119 7.836 ( 0.378 -2.804 0.262) 2.842 7.965 ( -1.886 3.228 -0.552) 3.779 7.987 ( -0.198 0.239 0.805) 0.863 8.286 ( -3.818 0.325 1.345) 4.061 8.333 ( -3.892 -3.830 1.346) 5.624 8.556 ( -6.220 3.108 0.265) 6.958 8.611 ( -6.812 -1.601 -1.943) 7.263 8.755 ( -0.575 3.578 -0.495) 3.658 8.783 ( 2.316 0.810 0.066) 2.454 8.857 ( -0.112 4.885 -1.428) 5.090 8.880 ( -4.706 1.193 2.690) 5.550 8.988 ( -0.535 2.198 -1.028) 2.485 9.059 ( 1.514 -2.369 -1.042) 2.998 9.085 ( 2.916 0.400 -0.088) 2.944 9.201 ( -3.829 -7.757 1.273) 8.744 9.250 ( 1.800 3.618 -0.341) 4.055 9.300 ( 0.810 -1.933 -0.091) 2.098 9.543 ( 4.117 -1.755 0.352) 4.489 9.561 ( 1.675 -2.982 -0.375) 3.440 9.638 ( -1.716 0.301 -0.362) 1.779 9.688 ( 1.253 -1.341 0.087) 1.838 9.984 ( 0.400 5.329 2.202) 5.779 10.056 ( 5.606 -1.233 -3.938) 6.961 10.140 ( 0.213 -1.185 -1.017) 1.577 10.168 ( 1.692 -2.474 1.087) 3.188 10.400 ( -2.947 1.723 1.028) 3.565 10.450 ( -0.653 -2.875 0.804) 3.056 10.709 ( -2.161 -0.481 -2.647) 3.451 10.768 ( -1.634 -4.593 -1.827) 5.206 10.817 ( 0.190 1.970 2.343) 3.067 10.909 ( 2.637 -6.044 2.017) 6.896 11.154 ( -5.411 3.324 -2.681) 6.893 11.206 ( -4.659 -2.035 -4.221) 6.608 11.344 ( 3.863 5.370 2.706) 7.147 11.404 ( 5.229 -0.955 3.987) 6.645 12.002 ( 0.384 0.491 1.564) 1.684 12.037 ( 1.538 -3.277 1.532) 3.931 12.170 ( 1.193 0.180 -0.114) 1.212 12.213 ( 3.168 -4.467 -1.324) 5.634 12.440 ( -3.616 4.628 -0.168) 5.875 12.520 ( -1.175 -4.060 2.054) 4.700 12.569 ( -3.142 1.711 0.652) 3.637 12.595 ( -0.123 -0.728 -0.878) 1.148 12.659 ( 0.180 3.859 -0.496) 3.895 12.692 ( 0.364 -0.365 -2.315) 2.372 12.810 ( -2.163 4.096 -1.475) 4.861 12.875 ( 1.577 -2.221 -3.038) 4.080 12.935 ( -0.062 6.121 3.582) 7.092 13.002 ( 2.379 -0.518 3.432) 4.208 13.094 ( -5.554 0.504 0.433) 5.594 13.179 ( -2.235 -3.444 0.273) 4.115 13.266 ( -1.251 0.827 2.321) 2.763 13.336 ( -4.287 -8.557 0.352) 9.578 13.471 ( -1.344 1.545 -0.080) 2.049 13.532 ( 0.266 -4.606 -0.373) 4.628 13.589 ( -2.168 4.930 4.360) 6.929 13.655 ( -1.802 -2.304 2.730) 4.001 13.854 ( 4.315 2.755 -7.480) 9.064 13.881 ( 4.682 0.207 -6.683) 8.162 14.337 ( -3.130 4.141 -8.962) 10.357 14.388 ( 1.252 -0.862 -3.678) 3.980 14.416 ( -2.746 3.112 2.503) 4.847 14.478 ( 0.187 -1.152 7.266) 7.359 14.630 ( 0.858 8.302 0.289) 8.351 14.700 ( 5.197 7.511 2.116) 9.375 14.804 ( -1.865 -8.394 -0.923) 8.648 14.821 ( 0.422 -5.761 2.369) 6.243 15.207 ( -3.215 7.730 -1.544) 8.513 15.314 ( 1.417 -2.210 0.191) 2.632 15.439 ( -1.856 4.555 -1.517) 5.147 15.496 ( 0.211 -0.731 -0.913) 1.188 15.711 ( -3.786 4.276 0.438) 5.728 15.777 ( -4.026 -1.508 1.679) 4.616 15.844 ( 2.520 3.702 3.057) 5.423 15.938 ( 5.250 -4.898 1.756) 7.392 16.199 ( -1.774 -0.222 2.724) 3.258 16.242 ( -1.613 -4.491 2.695) 5.480 16.331 ( 2.419 3.926 -0.361) 4.626 16.417 ( 3.771 -4.858 -1.298) 6.286 16.692 ( 1.464 2.766 -2.669) 4.113 16.729 ( 3.568 -0.836 -2.374) 4.366 16.841 ( 0.954 0.073 1.729) 1.976 16.864 ( 1.136 -1.796 1.956) 2.888 19.280 ( -0.098 4.815 3.032) 5.691 19.338 ( 2.457 0.293 0.268) 2.489 19.535 ( 0.081 -3.770 0.632) 3.823 19.563 ( 1.162 -5.124 -2.930) 6.016 21.102 ( -1.753 5.063 -0.545) 5.386 21.184 ( -1.922 1.039 -0.420) 2.224 21.214 ( 0.819 0.737 0.945) 1.452 21.316 ( 1.441 -5.377 0.780) 5.621 25.090 ( -0.590 0.193 1.054) 1.223 25.093 ( -0.357 -0.126 -0.074) 0.386 25.435 ( 1.484 0.392 -0.141) 1.541 25.473 ( 3.322 -3.864 1.226) 5.241 26.043 ( -0.765 2.840 0.301) 2.956 26.064 ( 0.109 0.794 0.507) 0.949 26.281 ( 0.138 0.413 0.537) 0.691 26.284 ( 0.010 0.164 0.094) 0.190 26.700 ( -0.916 2.695 -5.798) 6.459 26.760 ( 1.464 -3.736 -4.775) 6.237 27.120 ( 4.262 -0.109 2.258) 4.824 27.123 ( 3.742 -0.443 2.327) 4.428 27.286 ( -0.634 2.486 3.019) 3.961 27.327 ( 0.098 -0.946 -0.981) 1.367 27.429 ( 1.179 0.401 3.774) 3.974 27.470 ( 1.901 -3.284 0.150) 3.798 27.704 ( -1.759 7.072 -3.298) 7.999 27.807 ( 1.445 -1.853 -2.629) 3.526 27.910 ( 0.531 4.578 3.359) 5.703 28.015 ( 3.950 -4.933 4.991) 8.053 28.287 ( -1.674 4.818 0.016) 5.100 28.345 ( 1.260 1.376 0.295) 1.889 28.401 ( -4.188 1.435 1.426) 4.651 28.474 ( 0.632 -2.233 1.795) 2.934 28.551 ( -3.776 1.573 -2.235) 4.662 28.634 ( 0.035 -2.107 -1.173) 2.412 28.793 ( -8.814 -4.286 -0.972) 9.849 28.842 ( -5.668 -7.423 -1.442) 9.450 29.314 ( -9.131 3.992 2.935) 10.389 29.379 ( -8.580 -2.897 2.127) 9.302 29.525 ( -0.261 4.734 -2.867) 5.541 29.579 ( 2.704 -1.050 -4.861) 5.660 29.980 ( 1.162 4.615 -1.657) 5.039 30.049 ( 1.119 -2.462 -2.212) 3.494 30.302 ( -0.515 1.903 5.395) 5.744 30.346 ( 1.922 -2.225 0.445) 2.973 30.626 ( -9.611 4.384 0.318) 10.568 30.758 ( -5.115 -9.606 -0.204) 10.885 31.085 ( 14.666 6.187 -2.270) 16.079 31.196 ( 14.699 -5.703 -3.187) 16.085 ======================= Grid point 103 (58/63) ======================= q-point: ( 0.25 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -1.537 10.767 -18.865) 21.776 1.583 ( 1.266 -4.697 -10.407) 11.488 1.815 ( 5.165 4.738 -4.865) 8.532 1.900 ( 11.949 -1.538 -8.854) 14.951 2.040 ( -5.683 11.488 10.736) 16.719 2.074 ( 5.504 0.925 -2.423) 6.084 2.196 ( -9.269 3.159 2.278) 10.054 2.231 ( 2.896 4.340 2.164) 5.648 2.275 ( -8.322 -5.969 2.973) 10.664 2.453 ( 0.154 -14.085 0.126) 14.086 2.651 ( -1.559 4.335 -0.492) 4.632 2.724 ( -3.869 -3.882 -0.562) 5.510 2.794 ( -0.625 -0.379 -0.517) 0.895 2.809 ( -2.585 -0.506 3.464) 4.352 2.981 ( 2.696 -1.855 -1.229) 3.496 3.015 ( 2.120 -5.295 0.838) 5.765 3.112 ( 2.823 4.332 1.237) 5.317 3.174 ( 4.305 -2.161 0.398) 4.833 3.284 ( 3.821 4.315 2.493) 6.280 3.299 ( 4.207 0.531 1.417) 4.471 3.417 ( 6.777 2.908 -6.603) 9.899 3.472 ( 1.402 1.494 1.620) 2.612 3.594 ( 3.328 6.886 0.800) 7.690 3.683 ( 4.277 -2.250 -1.808) 5.160 3.738 ( -2.009 4.957 -0.147) 5.351 3.838 ( -5.442 -1.471 1.583) 5.855 3.885 ( 6.106 8.080 0.740) 10.155 4.058 ( 5.463 -4.040 -5.274) 8.602 4.128 ( -2.277 2.019 1.986) 3.634 4.168 ( 0.036 3.799 -0.746) 3.871 4.210 ( -0.576 0.982 -4.050) 4.207 4.259 ( -1.761 -5.792 -4.385) 7.474 4.320 ( 1.608 0.320 -1.514) 2.232 4.342 ( 3.483 -1.100 0.600) 3.702 4.438 ( 3.392 0.495 0.539) 3.470 4.488 ( -0.524 -4.426 -2.047) 4.905 4.531 ( 2.413 1.006 0.912) 2.769 4.601 ( 1.143 -3.488 1.105) 3.833 4.695 ( -5.890 7.357 3.869) 10.187 4.816 ( -4.858 -6.119 4.355) 8.945 4.865 ( -2.161 -0.892 -2.437) 3.377 4.896 ( -0.834 -3.730 -2.740) 4.703 5.056 ( -3.734 0.332 -1.413) 4.006 5.085 ( -3.984 -2.242 -3.238) 5.602 5.166 ( 3.774 6.136 3.766) 8.129 5.259 ( 2.730 -3.566 0.503) 4.519 5.398 ( -0.921 3.949 5.849) 7.117 5.417 ( -3.378 3.991 3.301) 6.183 5.473 ( -0.704 -3.989 1.843) 4.450 5.480 ( -5.306 -1.931 3.819) 6.817 5.626 ( -2.777 0.642 0.902) 2.990 5.642 ( -3.010 -1.393 0.946) 3.449 5.731 ( 0.679 -1.727 0.269) 1.875 5.758 ( -0.900 -3.252 1.586) 3.729 5.938 ( -1.192 1.200 -0.242) 1.708 5.978 ( 0.613 -1.340 1.840) 2.357 5.995 ( 2.751 1.548 -3.644) 4.821 6.066 ( 5.659 -4.660 0.099) 7.331 6.186 ( -3.360 1.806 -0.592) 3.860 6.257 ( -0.177 -5.566 -0.206) 5.573 6.454 ( -1.074 1.262 3.117) 3.531 6.482 ( -1.047 -1.547 4.058) 4.467 6.629 ( -2.827 2.397 -1.419) 3.969 6.663 ( -1.046 -1.128 -1.321) 2.028 6.839 ( -3.926 6.605 1.300) 7.792 6.955 ( -2.037 -3.700 2.811) 5.074 7.034 ( -3.760 2.250 -6.241) 7.626 7.111 ( -0.399 -3.929 -5.852) 7.060 7.378 ( 0.481 2.214 -0.774) 2.394 7.396 ( 0.622 0.397 0.608) 0.956 7.462 ( 2.022 6.724 0.441) 7.035 7.582 ( 2.636 -4.454 0.788) 5.235 7.730 ( -3.190 2.075 -3.144) 4.936 7.816 ( -1.145 -5.449 -2.648) 6.166 7.904 ( -4.079 4.314 -1.723) 6.182 7.973 ( -1.774 -2.601 -1.456) 3.469 8.241 ( -1.266 -0.297 -0.111) 1.305 8.273 ( -2.707 -3.551 -0.501) 4.493 8.489 ( -1.886 3.443 1.997) 4.404 8.516 ( -2.991 2.711 -0.617) 4.084 8.679 ( -9.244 6.965 2.883) 11.928 8.775 ( -4.927 -0.306 0.718) 4.988 8.804 ( -4.358 0.500 2.360) 4.982 8.884 ( 2.882 -1.685 -1.920) 3.851 8.923 ( -0.751 3.695 -1.245) 3.971 9.050 ( -3.193 -6.039 0.619) 6.859 9.140 ( 3.671 4.167 0.692) 5.596 9.242 ( 2.722 -5.265 4.160) 7.241 9.312 ( 3.800 1.301 1.390) 4.250 9.322 ( 1.908 0.571 -0.560) 2.069 9.552 ( -1.046 0.437 0.115) 1.140 9.621 ( 3.860 -4.979 -0.501) 6.320 9.628 ( 1.080 -0.353 0.703) 1.336 9.694 ( -0.349 -2.792 -0.641) 2.886 10.024 ( 1.986 6.584 2.012) 7.165 10.125 ( 3.778 -4.093 -1.543) 5.780 10.153 ( 4.302 3.851 -2.589) 6.328 10.224 ( 2.620 -2.379 2.583) 4.381 10.362 ( -1.699 3.973 -0.448) 4.344 10.446 ( -0.238 -3.612 0.425) 3.644 10.643 ( -2.027 -2.189 -2.160) 3.683 10.685 ( -4.493 -5.682 -1.536) 7.405 10.854 ( 0.276 3.659 2.170) 4.263 10.969 ( 0.320 -7.762 3.299) 8.440 11.075 ( -0.485 3.603 -0.971) 3.763 11.131 ( 0.106 -2.290 -1.881) 2.965 11.418 ( 1.633 6.633 2.112) 7.150 11.506 ( 2.248 -2.151 2.520) 4.003 12.023 ( 0.131 0.700 0.678) 0.984 12.064 ( -0.211 -3.618 0.591) 3.672 12.207 ( 3.225 2.099 -0.941) 3.961 12.258 ( 3.463 -2.730 -2.468) 5.054 12.349 ( -4.281 5.110 -3.868) 7.707 12.447 ( -4.991 -4.285 -4.115) 7.759 12.507 ( -4.512 5.034 1.037) 6.839 12.593 ( -1.975 -1.810 2.980) 4.007 12.659 ( 1.664 0.115 -4.766) 5.049 12.673 ( 0.442 -0.980 -3.404) 3.570 12.784 ( -0.123 1.059 0.647) 1.247 12.822 ( -2.976 -2.625 -3.746) 5.457 12.917 ( -3.243 4.477 2.383) 6.020 13.052 ( -7.341 -7.992 1.133) 10.911 13.081 ( 1.112 0.029 3.241) 3.427 13.106 ( 0.453 -1.235 3.484) 3.724 13.265 ( -1.138 2.907 1.481) 3.455 13.314 ( 0.635 -3.028 2.286) 3.847 13.466 ( -2.612 2.246 4.892) 5.983 13.535 ( -0.277 -4.928 3.546) 6.078 13.659 ( 6.135 1.782 -1.501) 6.563 13.685 ( 3.827 -1.039 -1.185) 4.139 13.823 ( 2.519 3.699 -7.372) 8.624 13.874 ( 3.188 -1.044 -6.594) 7.398 14.179 ( -3.964 7.307 -8.418) 11.831 14.304 ( -3.324 -5.734 -5.801) 8.808 14.421 ( -3.217 7.560 6.082) 10.222 14.490 ( -5.376 4.002 5.065) 8.401 14.669 ( 1.758 0.128 0.913) 1.985 14.753 ( -2.393 -6.171 -0.375) 6.629 14.830 ( 3.606 3.195 2.028) 5.227 14.882 ( 4.556 0.036 1.063) 4.678 15.174 ( 0.367 8.151 0.267) 8.163 15.328 ( 0.442 -6.061 -0.327) 6.086 15.410 ( -0.273 4.186 0.075) 4.196 15.483 ( -0.094 -3.857 -0.949) 3.973 15.651 ( -3.772 3.544 0.306) 5.185 15.705 ( -5.784 -2.972 1.058) 6.589 15.940 ( 4.044 9.471 3.312) 10.818 16.055 ( 3.797 -2.517 4.358) 6.304 16.191 ( -4.798 2.668 5.217) 7.573 16.221 ( -1.413 -1.500 0.985) 2.284 16.385 ( 3.580 1.976 -1.027) 4.216 16.474 ( 4.322 -7.605 -1.381) 8.855 16.683 ( 0.811 5.031 -3.179) 6.006 16.764 ( 3.663 -3.688 -3.093) 6.049 16.894 ( 2.252 -0.607 2.833) 3.669 16.934 ( 3.207 -4.819 3.229) 6.629 19.310 ( -0.234 4.461 2.527) 5.132 19.382 ( 0.641 -2.194 1.608) 2.795 19.538 ( 0.511 -3.153 -0.876) 3.312 19.549 ( -0.490 -3.486 -1.073) 3.680 21.089 ( 0.724 3.601 -0.239) 3.681 21.141 ( -1.177 -1.600 1.062) 2.253 21.260 ( 1.662 3.704 1.239) 4.245 21.323 ( -1.110 -2.388 0.522) 2.685 25.078 ( -0.306 0.291 -1.143) 1.218 25.085 ( -0.869 -0.446 -0.235) 1.005 25.465 ( 2.314 2.350 -1.041) 3.458 25.534 ( 2.670 -5.239 -0.516) 5.903 26.044 ( -0.300 2.774 1.600) 3.216 26.072 ( -0.261 -0.024 1.218) 1.246 26.269 ( -1.221 0.940 -0.980) 1.826 26.277 ( -1.033 -0.026 -0.284) 1.072 26.655 ( 2.840 3.917 -5.195) 7.099 26.731 ( 2.556 -4.152 -6.277) 7.948 27.137 ( -1.027 2.675 -2.009) 3.500 27.195 ( 0.164 -3.374 0.629) 3.436 27.323 ( 2.132 0.930 1.029) 2.544 27.368 ( 3.881 -3.546 1.073) 5.366 27.518 ( 2.439 0.895 5.243) 5.851 27.540 ( 3.461 -1.517 4.951) 6.228 27.666 ( 2.094 4.817 -2.621) 5.870 27.743 ( -1.810 -3.446 -3.112) 4.984 28.063 ( 6.569 6.591 7.342) 11.854 28.124 ( 1.331 -0.736 4.394) 4.650 28.227 ( -7.088 5.465 -5.569) 10.541 28.278 ( -6.480 3.691 1.130) 7.543 28.385 ( 1.313 4.917 1.113) 5.210 28.442 ( -1.754 0.946 -3.478) 4.008 28.515 ( 0.350 -5.493 0.264) 5.510 28.580 ( -5.059 -11.211 3.927) 12.911 28.661 ( -2.869 2.934 -0.531) 4.138 28.752 ( -3.918 -6.036 0.544) 7.216 29.155 ( -9.956 4.815 -0.648) 11.078 29.240 ( -8.226 -4.160 -0.365) 9.225 29.462 ( -4.030 7.220 0.041) 8.269 29.572 ( 1.305 -4.834 -2.648) 5.664 29.988 ( 1.958 3.806 -3.743) 5.686 30.034 ( 0.160 -0.484 -1.601) 1.681 30.292 ( -4.200 1.989 1.706) 4.950 30.370 ( -4.086 -6.862 4.577) 9.205 30.551 ( 0.897 9.494 2.241) 9.796 30.761 ( 3.423 -13.019 0.707) 13.480 31.281 ( 11.330 5.716 -4.390) 13.428 31.369 ( 9.752 -3.686 -4.846) 11.496 ======================= Grid point 104 (59/63) ======================= q-point: ( 0.38 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 18.917 8.561 7.798) 22.180 1.692 ( 13.655 -7.771 7.127) 17.252 1.913 ( 8.321 9.787 -1.232) 12.905 2.026 ( 5.342 0.990 1.470) 5.628 2.040 ( 0.221 6.339 0.090) 6.343 2.104 ( -2.867 2.183 4.048) 5.419 2.184 ( -0.823 -1.626 9.317) 9.494 2.239 ( -1.919 -9.334 6.939) 11.788 2.311 ( 4.610 8.634 2.231) 10.039 2.484 ( 3.583 -8.460 -2.450) 9.509 2.645 ( 1.769 1.958 1.031) 2.833 2.691 ( -0.316 -1.468 3.262) 3.591 2.765 ( -1.955 1.043 -0.784) 2.351 2.824 ( -2.505 -2.742 4.061) 5.503 2.985 ( -1.086 -0.020 -2.003) 2.278 3.032 ( -1.347 -4.938 -0.220) 5.123 3.174 ( 2.994 3.175 -1.155) 4.514 3.231 ( 3.520 -2.117 -3.529) 5.416 3.301 ( -1.548 1.195 -0.989) 2.191 3.328 ( 0.345 -0.597 1.475) 1.628 3.483 ( 1.002 3.489 1.172) 3.815 3.550 ( 2.565 -1.041 4.671) 5.430 3.632 ( 7.628 9.683 -5.249) 13.398 3.757 ( -1.692 -1.513 3.133) 3.869 3.763 ( 3.484 0.253 1.198) 3.693 3.788 ( 3.244 3.303 -0.819) 4.702 3.970 ( 4.410 6.928 -5.152) 9.695 4.031 ( 1.420 3.061 -6.527) 7.348 4.095 ( -1.117 0.794 -8.847) 8.952 4.101 ( -2.105 0.051 -1.151) 2.400 4.138 ( -1.583 -0.742 -2.586) 3.122 4.213 ( -2.154 -1.533 -1.716) 3.152 4.326 ( -1.068 -0.758 -1.740) 2.178 4.387 ( -0.078 -2.734 -3.096) 4.131 4.409 ( -1.472 -1.024 -0.588) 1.887 4.452 ( -1.850 -0.626 -2.908) 3.503 4.564 ( 3.073 2.102 -3.291) 4.969 4.603 ( 0.001 1.755 -1.753) 2.480 4.668 ( -3.058 5.833 5.716) 8.720 4.727 ( -7.382 -7.022 2.400) 10.468 4.783 ( -3.985 -3.588 -2.457) 5.898 4.876 ( -2.894 -6.942 -0.627) 7.547 4.944 ( -4.113 1.550 -0.499) 4.424 5.009 ( -2.711 -4.614 -0.917) 5.429 5.271 ( 1.529 2.970 -0.280) 3.352 5.311 ( 4.787 1.111 0.960) 5.007 5.361 ( -3.619 4.512 0.551) 5.810 5.403 ( -2.712 1.268 1.684) 3.435 5.472 ( -0.573 0.041 6.152) 6.179 5.530 ( 1.100 -4.835 5.196) 7.182 5.603 ( 0.111 0.791 0.578) 0.985 5.631 ( -0.660 -1.332 3.702) 3.989 5.714 ( -1.765 -0.599 -2.082) 2.795 5.737 ( -1.316 -3.224 -1.026) 3.630 5.850 ( -5.013 2.017 -3.952) 6.695 5.918 ( -3.477 -5.654 -3.447) 7.479 6.089 ( 5.175 3.880 3.109) 7.177 6.134 ( -1.813 0.939 2.963) 3.598 6.196 ( 5.421 -1.409 0.745) 5.650 6.260 ( 0.801 -6.165 -0.212) 6.221 6.470 ( -1.178 -0.169 2.740) 2.988 6.493 ( -2.488 -2.320 2.979) 4.521 6.566 ( -2.570 3.007 -0.121) 3.957 6.611 ( -2.727 -1.379 -1.348) 3.340 6.809 ( -1.863 6.037 2.220) 6.697 6.912 ( -3.221 0.256 -3.950) 5.103 6.976 ( 0.933 -1.200 1.931) 2.457 7.057 ( -0.070 -5.150 -3.388) 6.165 7.394 ( 1.469 1.670 -0.883) 2.393 7.416 ( 0.489 -0.479 1.532) 1.677 7.507 ( 1.455 7.189 2.291) 7.684 7.598 ( 0.743 5.612 -4.003) 6.933 7.668 ( -0.900 -5.288 -0.314) 5.373 7.756 ( -1.684 -7.137 -4.137) 8.419 7.808 ( -3.563 3.649 -2.696) 5.769 7.905 ( -2.000 -5.651 -3.895) 7.149 8.236 ( 1.816 1.904 -2.518) 3.642 8.250 ( 0.033 0.402 -0.689) 0.799 8.468 ( -2.894 6.507 1.478) 7.273 8.522 ( 0.107 -0.222 2.405) 2.418 8.557 ( -5.681 6.528 3.444) 9.314 8.686 ( -4.519 1.019 -0.239) 4.639 8.761 ( -3.600 -2.045 4.545) 6.148 8.875 ( -1.653 -7.283 -0.869) 7.519 8.962 ( 4.916 3.682 -1.775) 6.393 9.024 ( -0.770 -2.342 0.442) 2.505 9.203 ( 1.902 3.692 2.108) 4.658 9.290 ( -2.551 -4.129 4.814) 6.836 9.341 ( 0.527 3.118 0.626) 3.224 9.387 ( 3.894 -1.872 -2.235) 4.864 9.570 ( 1.269 5.157 3.721) 6.485 9.662 ( -0.117 -0.729 -1.161) 1.376 9.682 ( 2.665 -2.768 -0.987) 3.968 9.689 ( 2.633 -5.313 3.482) 6.877 10.068 ( 0.711 4.588 0.176) 4.646 10.127 ( -0.989 0.101 -0.376) 1.063 10.232 ( 5.734 1.692 -1.938) 6.285 10.311 ( 3.818 -2.693 3.402) 5.779 10.335 ( -0.369 5.976 -1.189) 6.104 10.453 ( 0.652 -4.739 -0.083) 4.784 10.608 ( -2.132 -3.583 0.459) 4.195 10.614 ( -1.223 -4.200 0.233) 4.381 10.881 ( 0.942 1.991 2.404) 3.261 10.980 ( -2.407 -7.626 3.810) 8.858 11.117 ( 3.533 2.238 1.720) 4.521 11.162 ( 3.406 -1.812 1.024) 3.992 11.433 ( -0.871 6.085 -1.138) 6.251 11.512 ( -2.699 -1.487 -1.440) 3.402 12.007 ( -1.514 0.768 -0.743) 1.853 12.048 ( -0.611 -3.450 -0.955) 3.631 12.191 ( -3.384 7.008 -4.943) 9.219 12.246 ( 1.694 1.204 -2.882) 3.553 12.288 ( -0.588 -1.958 -3.329) 3.906 12.318 ( -3.102 -6.024 -5.894) 8.981 12.463 ( -0.548 3.862 0.536) 3.938 12.565 ( -3.839 -4.221 0.739) 5.753 12.624 ( -0.326 1.956 -2.373) 3.093 12.642 ( -1.402 0.074 0.132) 1.410 12.747 ( 0.207 -0.895 -4.109) 4.210 12.783 ( -1.140 -3.718 -1.448) 4.150 12.920 ( -0.217 0.560 3.071) 3.129 12.961 ( -2.588 -2.761 0.648) 3.839 13.123 ( -0.235 0.761 2.956) 3.062 13.151 ( 0.833 -1.232 1.234) 1.932 13.278 ( -0.721 3.883 4.216) 5.777 13.344 ( -1.772 -3.540 5.176) 6.516 13.478 ( -0.037 2.416 0.047) 2.416 13.562 ( -0.682 -6.267 2.172) 6.667 13.705 ( 2.404 1.191 -3.517) 4.424 13.723 ( 2.852 -0.834 -3.490) 4.584 13.868 ( 7.646 3.343 -0.960) 8.400 13.921 ( 7.076 -2.198 -2.425) 7.797 14.060 ( -1.062 7.287 -3.860) 8.314 14.189 ( -3.672 -5.440 -2.850) 7.155 14.406 ( -7.895 6.217 4.288) 10.925 14.422 ( -4.399 6.810 3.565) 8.856 14.669 ( -2.382 -0.367 -1.132) 2.662 14.706 ( 0.333 -1.693 -4.370) 4.699 14.883 ( 1.039 1.269 2.058) 2.632 14.951 ( 2.734 -2.385 -1.356) 3.873 15.212 ( 2.351 5.604 1.638) 6.294 15.328 ( 0.796 -6.013 -1.742) 6.310 15.434 ( 1.762 3.114 1.625) 3.929 15.483 ( 0.518 -2.764 0.195) 2.819 15.592 ( -2.717 2.470 -0.507) 3.707 15.614 ( -4.532 -0.337 -0.522) 4.575 16.023 ( 1.899 10.424 2.767) 10.951 16.138 ( -4.004 5.837 3.296) 7.808 16.151 ( 1.115 -2.881 3.652) 4.784 16.221 ( -2.050 -2.707 3.828) 5.117 16.428 ( 2.928 2.718 -1.193) 4.169 16.520 ( 3.619 -7.264 -4.564) 9.311 16.670 ( -0.883 6.989 2.242) 7.393 16.794 ( 2.789 -5.806 -2.179) 6.800 16.956 ( 1.620 -1.367 1.694) 2.714 17.006 ( 2.583 -6.129 0.131) 6.652 19.321 ( -0.639 3.066 1.603) 3.519 19.381 ( -1.037 -2.714 -0.360) 2.928 19.523 ( -2.274 -2.384 1.163) 3.494 19.539 ( 0.998 -3.568 -1.716) 4.083 21.124 ( 2.630 3.974 1.311) 4.943 21.169 ( 1.142 -0.731 3.260) 3.531 21.286 ( -0.194 1.438 0.717) 1.619 21.298 ( -1.785 0.427 0.389) 1.876 25.057 ( -0.627 0.067 -1.480) 1.608 25.061 ( -0.702 -0.358 -1.586) 1.771 25.486 ( 1.482 2.670 -1.323) 3.328 25.545 ( 0.438 -3.637 -2.470) 4.419 26.065 ( 0.268 2.069 2.842) 3.526 26.086 ( 0.262 -0.104 2.206) 2.224 26.232 ( -1.144 1.194 -2.167) 2.726 26.243 ( -1.559 -0.108 -1.732) 2.333 26.677 ( 3.216 2.249 -2.174) 4.486 26.726 ( 2.851 -2.915 -4.330) 5.948 27.095 ( -0.369 2.148 -3.009) 3.715 27.158 ( -2.368 -4.728 -2.244) 5.744 27.380 ( 2.938 1.063 0.252) 3.134 27.411 ( 0.668 -2.075 0.517) 2.240 27.581 ( -0.674 1.570 3.375) 3.783 27.607 ( -1.508 -1.297 3.778) 4.270 27.734 ( 3.194 2.256 0.378) 3.929 27.769 ( 8.349 -1.713 0.522) 8.539 27.982 ( -8.373 6.331 -5.382) 11.796 28.062 ( -7.481 -2.912 -3.734) 8.854 28.232 ( 0.884 4.859 3.663) 6.149 28.265 ( 1.848 1.055 5.162) 5.583 28.394 ( -0.022 0.976 -0.967) 1.374 28.412 ( 1.801 1.844 0.791) 2.696 28.560 ( 2.427 -1.418 2.307) 3.637 28.621 ( 1.732 -3.854 3.938) 5.776 28.645 ( -0.193 1.548 2.569) 3.005 28.710 ( -3.088 -4.853 4.257) 7.156 28.980 ( -7.861 5.571 -2.916) 10.066 29.096 ( -5.592 -6.809 -4.333) 9.819 29.420 ( -2.583 9.357 3.940) 10.476 29.577 ( 1.497 -7.205 -1.624) 7.536 29.971 ( 0.531 5.181 -2.494) 5.775 30.028 ( 0.348 0.502 -1.076) 1.237 30.246 ( -2.164 0.868 1.228) 2.635 30.300 ( -6.852 -5.625 3.351) 9.478 30.649 ( 3.547 5.419 5.173) 8.289 30.822 ( 2.184 -12.161 -0.044) 12.356 31.382 ( 6.568 4.119 -5.933) 9.762 31.435 ( 4.904 -1.625 -6.577) 8.363 ======================= Grid point 105 (60/63) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -2.315 3.571 9.840) 10.721 1.988 ( 0.633 -2.881 8.743) 9.227 2.015 ( -1.248 8.193 2.363) 8.618 2.040 ( 6.728 5.071 1.782) 8.611 2.116 ( 9.749 5.204 1.267) 11.124 2.191 ( 7.318 -3.371 1.166) 8.141 2.212 ( -3.148 1.634 5.548) 6.585 2.309 ( 2.448 -6.822 1.445) 7.391 2.446 ( 3.664 -2.825 3.692) 5.919 2.482 ( 0.465 -4.720 -1.822) 5.081 2.616 ( -1.613 3.825 -3.887) 5.687 2.693 ( -2.285 -3.113 -6.891) 7.899 2.781 ( -0.077 5.024 4.710) 6.888 2.840 ( 2.858 0.042 -0.006) 2.858 2.937 ( 2.233 0.810 0.375) 2.404 2.967 ( -3.264 -2.940 -1.757) 4.731 3.158 ( -3.211 -0.409 1.675) 3.645 3.203 ( -4.924 -3.912 -1.275) 6.417 3.290 ( -2.105 1.715 1.222) 2.977 3.346 ( 3.264 -4.400 -1.825) 5.774 3.541 ( 2.786 9.773 6.915) 12.292 3.659 ( 4.220 -1.224 5.783) 7.263 3.686 ( -0.683 4.811 -4.755) 6.799 3.702 ( -7.628 5.419 1.610) 9.494 3.797 ( 0.053 1.550 1.912) 2.462 3.882 ( 5.880 4.632 -6.442) 9.876 3.898 ( -0.629 -0.784 -4.155) 4.275 3.983 ( -0.246 -0.698 -9.210) 9.240 4.046 ( 0.093 1.295 -0.815) 1.533 4.071 ( -4.164 1.824 -2.393) 5.137 4.110 ( 3.776 -2.101 0.801) 4.395 4.156 ( 0.214 -1.451 -3.640) 3.925 4.209 ( -6.854 5.704 1.741) 9.085 4.285 ( -0.295 2.806 -5.267) 5.975 4.418 ( -2.665 -5.450 0.618) 6.099 4.430 ( 0.384 -3.802 0.025) 3.822 4.539 ( -3.791 1.963 0.655) 4.319 4.601 ( 2.328 -1.468 -4.086) 4.926 4.654 ( -4.117 0.264 3.052) 5.132 4.705 ( -0.282 -4.278 3.289) 5.403 4.711 ( 2.966 2.998 -0.331) 4.230 4.802 ( 1.062 -2.053 -4.267) 4.852 4.932 ( -2.199 -2.802 3.724) 5.153 4.992 ( 2.354 -6.444 -1.985) 7.142 5.281 ( 0.621 6.172 -0.221) 6.207 5.307 ( 0.194 5.340 -2.512) 5.904 5.369 ( 2.690 -3.652 0.431) 4.556 5.389 ( -1.260 -2.619 -0.947) 3.056 5.548 ( 2.373 2.667 5.469) 6.531 5.589 ( -1.003 -1.235 3.966) 4.273 5.616 ( 0.015 1.087 -1.755) 2.065 5.639 ( -1.812 -1.089 -1.138) 2.401 5.663 ( -0.065 2.251 1.886) 2.938 5.723 ( 0.894 -2.332 -3.154) 4.023 5.781 ( 1.526 -2.207 1.775) 3.218 5.836 ( -1.473 -6.717 -3.671) 7.795 6.151 ( 0.813 0.504 3.378) 3.511 6.175 ( -0.567 -2.007 2.544) 3.290 6.254 ( 3.104 1.601 0.119) 3.494 6.298 ( -0.446 -2.537 -2.198) 3.386 6.435 ( -3.422 -0.031 0.186) 3.428 6.439 ( -0.580 -0.172 -0.248) 0.654 6.573 ( -0.149 0.724 2.782) 2.879 6.592 ( 0.365 -0.803 0.840) 1.218 6.814 ( -0.543 3.586 3.006) 4.711 6.857 ( -0.106 1.311 -1.278) 1.834 7.003 ( 0.451 -2.782 -0.243) 2.829 7.037 ( 1.683 -4.640 -3.260) 5.915 7.402 ( -1.427 2.682 1.583) 3.426 7.427 ( 0.083 1.109 -0.080) 1.115 7.551 ( 0.138 7.085 3.372) 7.848 7.582 ( 0.360 3.826 -0.528) 3.879 7.658 ( 0.768 -3.010 -4.123) 5.162 7.680 ( -0.437 -4.216 -4.831) 6.427 7.770 ( 0.401 -1.849 1.693) 2.539 7.847 ( 0.591 -6.722 -4.925) 8.354 8.217 ( -3.697 4.568 1.066) 5.973 8.254 ( 2.542 1.091 -2.507) 3.733 8.464 ( 0.021 4.964 2.533) 5.573 8.496 ( 1.215 1.639 -0.317) 2.065 8.598 ( 0.978 5.173 1.680) 5.526 8.629 ( 0.073 4.670 -1.078) 4.793 8.782 ( -0.271 -6.656 4.996) 8.327 8.832 ( -2.074 -8.590 -0.453) 8.849 9.003 ( -1.591 1.614 -0.323) 2.289 9.026 ( 4.194 -0.940 -2.376) 4.911 9.253 ( 1.780 1.809 1.768) 3.093 9.276 ( -1.516 2.694 0.149) 3.094 9.335 ( -3.675 0.748 4.103) 5.559 9.407 ( 1.725 -3.763 -2.732) 4.960 9.621 ( -0.611 4.043 2.493) 4.789 9.634 ( -1.260 1.100 0.203) 1.684 9.731 ( 2.045 -1.179 1.471) 2.781 9.756 ( 0.589 -1.842 0.950) 2.155 10.060 ( -1.017 0.619 1.058) 1.593 10.096 ( -1.196 -1.945 -1.539) 2.754 10.282 ( -1.222 4.357 1.614) 4.805 10.325 ( 1.721 3.835 -1.822) 4.581 10.392 ( 0.848 -1.657 2.304) 2.962 10.456 ( 1.551 -4.488 -3.019) 5.627 10.597 ( -0.303 -1.273 2.031) 2.416 10.625 ( 1.610 -4.040 -0.737) 4.411 10.947 ( 2.661 -4.140 3.393) 5.977 10.962 ( -3.144 -5.367 2.269) 6.621 11.205 ( 2.994 3.311 3.521) 5.686 11.249 ( 3.548 -0.611 1.290) 3.825 11.364 ( -2.490 3.141 -3.129) 5.085 11.400 ( -4.812 0.093 -4.687) 6.718 11.997 ( 0.727 2.405 1.616) 2.987 12.047 ( 0.191 -1.350 -0.800) 1.581 12.118 ( 0.695 1.921 -1.526) 2.550 12.192 ( -3.874 -3.170 -6.166) 7.942 12.236 ( -1.532 -1.558 -1.015) 2.409 12.246 ( 0.444 -1.241 -1.522) 2.013 12.482 ( -1.879 0.752 1.370) 2.444 12.514 ( 1.964 -1.298 -1.958) 3.062 12.611 ( -1.250 2.870 2.125) 3.783 12.640 ( 0.859 2.569 -0.092) 2.710 12.730 ( -2.016 -3.091 -1.820) 4.115 12.734 ( 1.840 -4.201 -2.648) 5.296 12.940 ( -0.766 0.209 1.784) 1.953 12.962 ( 1.814 -1.806 -0.490) 2.606 13.136 ( -0.897 1.221 1.657) 2.245 13.166 ( 1.418 -1.698 -1.207) 2.520 13.311 ( -2.392 3.514 7.009) 8.197 13.368 ( -3.095 -2.643 8.620) 9.532 13.456 ( 0.984 2.794 -4.815) 5.654 13.546 ( 1.554 -6.213 -5.111) 8.194 13.724 ( 0.733 -0.057 -1.284) 1.480 13.726 ( 2.112 -0.430 -2.678) 3.438 13.928 ( -1.303 1.314 0.513) 1.921 13.964 ( -0.036 -2.126 -2.109) 2.995 14.122 ( 5.005 2.076 2.684) 6.046 14.143 ( -5.021 -0.267 1.059) 5.138 14.334 ( -0.182 7.107 3.643) 7.988 14.384 ( 0.741 2.264 -0.977) 2.574 14.616 ( -0.686 3.965 -1.338) 4.240 14.659 ( 0.301 2.245 -5.925) 6.343 14.915 ( 0.157 -2.913 2.343) 3.742 14.957 ( 0.433 -4.772 -1.887) 5.150 15.265 ( 0.926 3.384 1.596) 3.855 15.322 ( 1.998 -2.706 -3.889) 5.141 15.490 ( 1.625 1.452 2.617) 3.406 15.500 ( -0.480 0.232 1.936) 2.008 15.549 ( -1.093 1.796 -1.516) 2.592 15.556 ( 0.375 0.614 -2.096) 2.216 16.065 ( -1.271 10.548 3.116) 11.072 16.096 ( -0.982 7.926 0.774) 8.025 16.209 ( 0.466 -4.179 3.793) 5.663 16.219 ( -2.239 -5.307 3.147) 6.564 16.452 ( 0.567 3.237 -1.345) 3.550 16.500 ( 1.069 -0.837 -6.002) 6.153 16.703 ( -1.911 2.989 7.379) 8.187 16.810 ( 1.707 -5.086 -2.614) 5.968 16.979 ( -0.057 -3.163 0.822) 3.269 17.019 ( 0.335 -5.941 -2.341) 6.394 19.326 ( -0.804 1.500 1.877) 2.534 19.360 ( 0.135 -1.381 -1.384) 1.960 19.504 ( -1.393 -1.487 1.601) 2.591 19.542 ( 1.740 -4.915 -1.934) 5.561 21.184 ( -0.131 4.174 2.783) 5.018 21.213 ( 1.677 2.248 0.509) 2.850 21.268 ( -0.922 0.299 1.161) 1.512 21.288 ( -0.324 -0.772 -0.299) 0.888 25.033 ( -0.630 -0.009 -0.752) 0.981 25.036 ( -0.537 -0.303 -1.011) 1.185 25.492 ( 0.148 1.301 -0.110) 1.314 25.512 ( -1.160 -0.773 -2.040) 2.471 26.110 ( 0.827 1.627 3.979) 4.377 26.127 ( 1.111 -0.287 3.417) 3.605 26.186 ( -0.885 0.899 -3.405) 3.632 26.194 ( -1.309 0.023 -2.956) 3.234 26.706 ( 1.540 0.677 -0.931) 1.922 26.726 ( 0.994 -1.412 -3.084) 3.535 27.079 ( 0.934 -1.125 -1.286) 1.947 27.090 ( -1.838 -2.247 -2.400) 3.766 27.413 ( -1.279 -0.041 0.527) 1.384 27.418 ( 0.874 -0.571 0.062) 1.046 27.594 ( -0.250 0.588 2.329) 2.415 27.602 ( -0.641 -0.338 1.566) 1.725 27.784 ( -2.910 6.178 2.830) 7.392 27.840 ( -1.128 3.097 -0.581) 3.347 27.893 ( -0.971 -2.400 -1.619) 3.054 27.925 ( 2.135 -2.885 -2.780) 4.540 28.267 ( 0.026 3.925 3.891) 5.527 28.318 ( 1.013 -0.674 0.021) 1.217 28.403 ( 0.786 0.668 -0.020) 1.032 28.431 ( -0.674 -1.469 -1.298) 2.073 28.630 ( -1.760 4.247 4.703) 6.576 28.664 ( 1.749 2.271 1.554) 3.261 28.691 ( 1.604 -0.858 4.286) 4.656 28.742 ( 0.420 -3.811 2.559) 4.610 28.866 ( -0.263 2.217 -0.822) 2.379 28.971 ( -1.240 -7.686 -7.370) 10.721 29.454 ( 0.622 8.795 5.597) 10.443 29.576 ( 2.435 -3.344 -5.577) 6.943 29.975 ( 0.340 2.894 1.478) 3.267 30.012 ( -0.969 0.379 -1.635) 1.938 30.224 ( -3.695 0.114 3.242) 4.917 30.268 ( 3.325 -3.102 -0.926) 4.641 30.736 ( -1.020 -0.644 6.846) 6.951 30.818 ( -1.952 -8.632 -0.996) 8.906 31.392 ( 0.443 3.222 -4.126) 5.254 31.428 ( 3.105 -0.836 -7.131) 7.823 ======================= Grid point 106 (61/63) ======================= q-point: (-0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -15.363 6.332 1.617) 16.695 1.806 ( -21.124 4.739 -11.897) 24.703 1.928 ( -8.908 -1.412 3.410) 9.642 1.948 ( -16.098 -4.107 -10.741) 19.783 2.093 ( -1.823 4.881 -1.996) 5.579 2.183 ( 5.573 2.498 -4.334) 7.489 2.290 ( -1.008 -1.905 -0.689) 2.263 2.413 ( 6.136 -1.537 -6.895) 9.357 2.426 ( -2.791 -0.893 1.145) 3.146 2.518 ( 2.914 -4.458 -7.501) 9.199 2.651 ( 0.668 -0.484 -1.485) 1.699 2.709 ( 4.214 -3.821 -0.171) 5.691 2.773 ( 2.601 3.569 1.557) 4.683 2.835 ( 1.606 -2.826 2.818) 4.302 2.976 ( 2.645 5.212 -2.623) 6.406 3.037 ( 3.925 -0.840 -0.737) 4.081 3.094 ( -6.630 0.979 6.478) 9.320 3.111 ( -6.846 0.300 4.283) 8.081 3.264 ( -3.045 2.914 3.107) 5.236 3.342 ( -4.216 -4.921 0.866) 6.538 3.481 ( -12.541 8.661 -0.615) 15.253 3.613 ( -3.666 -1.678 -0.775) 4.106 3.633 ( 1.807 11.080 -0.820) 11.256 3.756 ( -2.793 6.119 1.510) 6.893 3.815 ( 2.799 -4.962 -2.296) 6.143 3.841 ( -1.206 -0.067 -2.746) 3.000 3.864 ( -1.724 0.492 2.239) 2.868 3.890 ( -1.996 -0.361 1.315) 2.418 4.031 ( 1.570 4.152 0.440) 4.461 4.082 ( 0.012 1.417 -0.769) 1.612 4.100 ( 1.022 -1.738 0.170) 2.024 4.194 ( 5.270 -5.363 0.707) 7.553 4.258 ( 4.255 3.828 6.586) 8.725 4.306 ( -3.027 -4.882 0.046) 5.745 4.379 ( 3.105 1.612 2.764) 4.459 4.423 ( -2.825 -3.412 0.943) 4.529 4.506 ( 0.817 3.153 1.664) 3.657 4.601 ( 0.538 -0.191 -1.762) 1.852 4.678 ( 2.720 3.878 3.239) 5.739 4.758 ( 5.015 -0.347 -0.338) 5.038 4.798 ( 2.280 -3.214 2.088) 4.460 4.846 ( 7.910 -7.113 -2.492) 10.925 4.935 ( 0.256 0.059 0.527) 0.589 5.008 ( 0.481 -4.201 -0.059) 4.229 5.268 ( 0.692 5.061 -1.178) 5.242 5.356 ( 1.992 -1.242 -0.935) 2.527 5.367 ( 3.767 1.900 -2.336) 4.822 5.427 ( 2.992 -0.968 -0.483) 3.182 5.566 ( -2.175 2.383 1.171) 3.432 5.586 ( 0.846 0.666 -1.292) 1.682 5.624 ( 1.085 -1.289 -0.218) 1.699 5.641 ( 1.912 -2.111 1.986) 3.472 5.701 ( 2.913 0.386 -1.739) 3.415 5.747 ( 3.228 -2.881 -1.777) 4.678 5.800 ( 2.171 0.479 -0.912) 2.403 5.863 ( 3.806 -5.095 2.386) 6.792 6.146 ( -6.200 2.059 -1.847) 6.790 6.189 ( -2.577 -0.925 1.219) 2.997 6.199 ( 0.041 0.319 -3.794) 3.807 6.255 ( -1.054 -4.581 -0.005) 4.700 6.452 ( 2.197 1.099 4.332) 4.980 6.478 ( 1.049 -1.546 2.278) 2.946 6.589 ( 0.717 1.329 0.104) 1.514 6.610 ( 1.123 -0.562 -0.325) 1.298 6.851 ( 1.257 3.691 2.697) 4.741 6.868 ( 2.496 3.087 -1.897) 4.400 6.992 ( -1.140 -2.710 0.791) 3.044 7.041 ( 2.573 -6.819 -4.529) 8.581 7.371 ( -2.604 5.178 0.751) 5.844 7.429 ( -0.738 -0.260 0.584) 0.976 7.565 ( 0.311 3.242 -1.840) 3.741 7.574 ( -2.703 1.486 -1.447) 3.407 7.618 ( 2.070 3.995 1.745) 4.826 7.692 ( 1.964 -4.054 -0.138) 4.506 7.829 ( 2.446 -4.341 -1.229) 5.132 7.838 ( 3.717 -3.989 1.303) 5.606 8.189 ( -0.139 4.204 1.630) 4.511 8.257 ( 0.343 -2.889 -1.056) 3.095 8.490 ( 1.527 6.479 -0.149) 6.658 8.554 ( 0.263 -0.501 -0.256) 0.621 8.603 ( 6.571 10.157 -1.969) 12.256 8.691 ( 4.625 2.185 0.101) 5.116 8.797 ( -0.766 -5.129 0.707) 5.234 8.830 ( -0.674 -6.540 3.429) 7.415 8.968 ( -0.275 2.810 -2.143) 3.545 9.060 ( 2.419 -6.128 -2.296) 6.977 9.239 ( -1.601 7.951 -1.837) 8.316 9.301 ( 0.960 0.778 1.137) 1.679 9.312 ( -3.366 -0.683 4.142) 5.381 9.393 ( -0.730 -6.337 -1.983) 6.680 9.599 ( -2.911 3.761 1.871) 5.111 9.638 ( -0.439 -0.349 1.610) 1.705 9.705 ( -3.510 1.391 -3.378) 5.066 9.741 ( -1.994 -2.772 -1.141) 3.600 10.069 ( -0.835 -1.878 1.452) 2.516 10.076 ( -0.758 -2.005 2.176) 3.054 10.227 ( -4.514 7.127 -0.953) 8.489 10.335 ( -0.861 -0.515 0.174) 1.018 10.375 ( -0.980 0.907 -2.851) 3.148 10.460 ( 0.968 -4.206 -1.285) 4.503 10.611 ( 0.322 -0.986 0.407) 1.114 10.648 ( 2.920 -4.444 -2.260) 5.778 10.911 ( -3.264 0.808 -0.177) 3.367 11.006 ( -0.276 -8.656 1.311) 8.759 11.186 ( -3.444 1.975 -5.319) 6.637 11.208 ( -2.773 0.037 -3.228) 4.256 11.379 ( 3.213 4.458 3.806) 6.685 11.441 ( 5.186 -1.486 5.450) 7.669 12.009 ( -0.680 0.984 -1.225) 1.712 12.043 ( -0.173 -1.813 -0.820) 1.997 12.109 ( 1.090 4.544 2.022) 5.092 12.198 ( 3.537 -3.469 4.854) 6.936 12.216 ( -0.792 -0.265 0.067) 0.838 12.249 ( 1.016 -3.552 0.554) 3.736 12.453 ( -0.737 5.690 0.336) 5.748 12.556 ( 1.413 -2.923 0.954) 3.384 12.619 ( 0.421 4.391 0.847) 4.492 12.655 ( 1.209 1.607 -0.120) 2.015 12.703 ( 1.298 -0.977 -1.365) 2.121 12.759 ( 1.793 -7.024 0.678) 7.281 12.947 ( 0.889 1.583 0.354) 1.850 12.990 ( 3.199 -3.012 -2.235) 4.930 13.129 ( -1.133 2.181 1.027) 2.664 13.180 ( 1.532 -3.015 -1.236) 3.601 13.320 ( -3.439 2.223 3.516) 5.397 13.371 ( -5.505 -4.467 4.633) 8.469 13.464 ( 4.598 5.116 -1.803) 7.111 13.562 ( 3.476 -5.120 -0.168) 6.191 13.693 ( -1.748 1.279 -1.804) 2.819 13.723 ( 0.983 -1.862 -3.367) 3.971 13.848 ( -9.239 2.475 0.995) 9.616 13.894 ( -7.411 -2.790 -0.775) 7.957 14.042 ( -2.934 4.973 -0.541) 5.799 14.147 ( 0.531 -6.517 1.024) 6.618 14.453 ( 9.000 8.617 -0.139) 12.461 14.497 ( 7.821 4.031 -1.222) 8.883 14.622 ( 0.643 4.347 -0.217) 4.399 14.638 ( 2.289 0.648 1.949) 3.076 14.929 ( -0.614 -3.041 0.723) 3.186 14.937 ( -0.349 -3.649 -2.373) 4.367 15.253 ( -1.184 4.424 -2.003) 4.999 15.336 ( 3.024 -3.524 -2.696) 5.369 15.472 ( -1.822 2.274 -1.395) 3.231 15.504 ( -0.142 -1.890 -0.876) 2.088 15.579 ( 3.054 1.840 0.296) 3.578 15.593 ( 4.416 0.532 1.330) 4.642 16.037 ( -3.288 11.296 1.833) 11.907 16.132 ( 1.871 6.733 1.962) 7.259 16.206 ( -1.847 -6.126 0.895) 6.461 16.243 ( -0.500 -4.280 2.552) 5.008 16.411 ( -3.488 3.496 -0.084) 4.939 16.458 ( -0.850 -1.390 -3.327) 3.705 16.715 ( -2.603 3.559 2.338) 4.991 16.803 ( 0.612 -4.971 -2.758) 5.718 16.979 ( -1.294 -3.973 -0.089) 4.179 16.989 ( -1.072 -4.426 0.276) 4.563 19.329 ( -0.631 1.821 1.430) 2.400 19.369 ( 1.647 -1.840 -0.012) 2.469 19.507 ( -0.348 -0.688 1.391) 1.590 19.563 ( 2.994 -5.887 -2.379) 7.020 21.146 ( -3.435 5.635 -0.442) 6.614 21.224 ( -1.603 -2.581 -1.616) 3.441 21.283 ( 1.666 2.139 0.860) 2.844 21.296 ( 0.350 0.715 0.676) 1.044 25.026 ( -0.435 -0.112 1.369) 1.441 25.029 ( -0.185 -0.394 1.020) 1.109 25.469 ( -2.249 1.711 0.030) 2.826 25.494 ( -1.124 -0.937 1.793) 2.314 26.134 ( -0.722 0.952 -3.656) 3.846 26.142 ( -0.906 -0.043 -3.053) 3.185 26.170 ( 1.380 1.760 3.674) 4.301 26.189 ( 1.652 -0.472 3.515) 3.913 26.688 ( -1.349 -0.171 -2.841) 3.150 26.699 ( -1.495 -1.226 -1.578) 2.496 27.054 ( -0.071 2.348 0.590) 2.422 27.120 ( 2.663 -4.771 1.217) 5.598 27.375 ( -3.318 1.440 0.617) 3.669 27.412 ( -1.474 -2.405 0.385) 2.847 27.622 ( 1.758 1.870 0.082) 2.568 27.632 ( -0.251 0.889 2.596) 2.756 27.705 ( -5.894 2.624 2.211) 6.820 27.764 ( -6.300 -3.321 -1.152) 7.215 27.916 ( 5.543 7.050 1.510) 9.095 28.022 ( 5.979 -4.688 1.058) 7.671 28.297 ( -0.345 2.642 1.828) 3.231 28.306 ( 0.370 2.180 -3.530) 4.165 28.383 ( -1.490 -0.085 -0.310) 1.524 28.427 ( -0.080 -2.901 0.080) 2.903 28.598 ( -6.040 3.630 -0.469) 7.062 28.623 ( -2.034 2.410 0.959) 3.296 28.712 ( 2.524 2.777 -2.816) 4.692 28.813 ( -0.077 -8.086 -3.014) 8.630 28.930 ( 8.100 1.974 1.944) 8.561 29.004 ( 7.987 -5.638 2.388) 10.063 29.524 ( 1.960 4.691 0.824) 5.150 29.566 ( 4.591 1.270 -6.490) 8.050 29.960 ( -2.691 2.334 -0.896) 3.673 29.995 ( -0.690 0.085 1.946) 2.066 30.228 ( 0.644 5.281 2.444) 5.854 30.354 ( 7.050 -8.019 -1.431) 10.773 30.709 ( -7.262 -1.439 1.285) 7.514 30.778 ( -3.105 -8.089 3.277) 9.264 31.330 ( -3.739 5.147 -1.713) 6.588 31.402 ( 0.140 -2.658 -4.247) 5.012 ======================= Grid point 107 (62/63) ======================= q-point: (-0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -18.545 13.747 -5.559) 23.745 1.507 ( -12.734 -9.467 -3.783) 16.313 1.656 ( -14.666 7.494 8.845) 18.695 1.812 ( -6.529 -4.962 -0.175) 8.202 2.047 ( -2.152 4.020 -0.548) 4.592 2.182 ( -1.458 -7.115 -2.752) 7.766 2.252 ( 0.828 4.842 -2.009) 5.307 2.343 ( -0.651 0.756 -5.697) 5.784 2.402 ( 3.003 3.914 -7.014) 8.576 2.502 ( 4.767 -6.340 -8.760) 11.818 2.623 ( -2.098 1.612 3.719) 4.564 2.714 ( 0.010 -7.920 1.007) 7.984 2.819 ( -1.662 5.327 -3.654) 6.670 2.896 ( -0.117 -1.995 -2.127) 2.918 2.920 ( -4.751 8.973 0.995) 10.201 3.020 ( -2.707 -1.535 2.531) 4.012 3.083 ( -3.165 1.941 2.802) 4.652 3.086 ( -2.529 0.842 4.781) 5.474 3.242 ( -4.574 6.205 6.024) 9.783 3.292 ( -3.861 0.998 3.598) 5.371 3.339 ( -1.792 1.366 -1.534) 2.726 3.512 ( -6.508 -11.823 -0.036) 13.496 3.637 ( -0.769 9.981 -1.484) 10.120 3.672 ( -4.151 5.510 -2.267) 7.262 3.793 ( -1.297 -0.664 -1.242) 1.915 3.836 ( -0.493 1.928 1.010) 2.232 3.891 ( -1.675 -0.904 4.544) 4.926 3.914 ( 3.926 -2.905 1.284) 5.049 4.081 ( 3.251 2.596 2.086) 4.654 4.139 ( 1.885 1.611 3.107) 3.975 4.154 ( 4.360 0.498 1.304) 4.578 4.252 ( -0.461 2.946 -0.757) 3.077 4.268 ( 0.266 -7.871 2.928) 8.403 4.349 ( -1.492 -6.530 0.075) 6.699 4.412 ( 2.453 3.899 2.522) 5.252 4.481 ( 3.297 -3.099 1.471) 4.758 4.524 ( -0.285 5.382 -1.710) 5.654 4.600 ( 1.251 0.014 -0.475) 1.339 4.745 ( 1.890 3.396 -0.854) 3.979 4.831 ( -0.423 -5.865 1.719) 6.127 4.868 ( 6.786 -0.963 -0.379) 6.864 4.912 ( 3.305 -0.053 -3.876) 5.094 4.995 ( 4.060 -3.063 4.397) 6.723 5.023 ( -0.788 -2.595 2.830) 3.920 5.270 ( -0.014 2.657 -2.195) 3.447 5.299 ( -1.184 -0.213 -7.635) 7.729 5.440 ( 4.243 4.838 0.005) 6.435 5.488 ( 4.640 -0.754 -0.221) 4.706 5.547 ( 0.916 1.376 -2.822) 3.270 5.603 ( 1.297 -3.807 -6.376) 7.538 5.633 ( 3.864 1.430 -1.563) 4.407 5.699 ( 2.451 -3.378 -2.673) 4.956 5.722 ( 2.176 -0.316 -0.386) 2.233 5.763 ( 3.702 -4.431 -1.084) 5.874 5.900 ( 3.593 3.494 3.759) 6.265 5.957 ( 3.843 -2.099 1.863) 4.759 5.995 ( -6.441 2.631 -1.012) 7.030 6.082 ( -6.610 -5.696 -1.552) 8.862 6.203 ( 1.607 1.646 -1.789) 2.914 6.262 ( 0.052 -5.036 -0.413) 5.054 6.487 ( -0.273 1.805 0.703) 1.957 6.532 ( 1.163 -2.282 2.051) 3.281 6.603 ( 1.082 2.546 -0.218) 2.775 6.635 ( 1.296 -1.120 0.670) 1.839 6.873 ( 0.660 7.000 -0.226) 7.034 6.915 ( 2.862 5.077 1.172) 5.945 6.993 ( -1.906 -5.505 4.907) 7.617 7.035 ( 2.611 -7.116 -4.366) 8.748 7.356 ( 0.184 4.774 1.041) 4.890 7.409 ( -1.257 -0.535 -0.326) 1.404 7.495 ( -1.753 6.299 -2.755) 7.095 7.591 ( 0.694 -2.025 -0.594) 2.221 7.667 ( 1.725 1.609 2.479) 3.422 7.733 ( 0.784 -4.305 3.764) 5.772 7.886 ( 4.638 1.262 0.952) 4.900 7.929 ( 2.975 -1.869 2.939) 4.580 8.255 ( 5.834 -0.527 0.443) 5.874 8.267 ( 3.474 -1.713 -2.082) 4.398 8.507 ( 0.629 4.840 0.369) 4.894 8.531 ( -0.722 1.868 -0.736) 2.133 8.715 ( 5.031 7.088 -0.855) 8.734 8.752 ( 0.637 0.824 2.767) 2.957 8.828 ( 1.030 -0.928 0.213) 1.403 8.855 ( 5.043 -4.614 0.579) 6.860 8.961 ( 3.008 2.693 -4.426) 5.990 9.069 ( 0.121 -6.271 -0.703) 6.311 9.177 ( -2.629 6.741 -2.341) 7.604 9.264 ( -5.130 1.517 0.835) 5.415 9.302 ( -2.607 -2.122 0.023) 3.361 9.365 ( 0.842 -7.727 -2.159) 8.067 9.567 ( -2.380 6.074 1.233) 6.639 9.612 ( -1.804 -1.018 -2.497) 3.244 9.660 ( -0.485 -3.140 0.291) 3.190 9.675 ( -2.102 -3.559 -0.565) 4.171 10.057 ( -3.002 -0.607 1.757) 3.531 10.061 ( -3.667 0.026 1.068) 3.819 10.147 ( -1.865 6.494 -1.618) 6.948 10.280 ( -3.288 -6.807 -1.636) 7.735 10.364 ( 1.851 5.491 -1.438) 5.971 10.452 ( -0.763 -3.913 -0.314) 3.999 10.627 ( 1.209 -0.291 0.210) 1.261 10.686 ( 3.665 -5.560 -1.260) 6.777 10.862 ( -2.180 4.051 0.609) 4.641 10.975 ( -3.744 -6.602 1.614) 7.759 11.102 ( -0.805 2.042 -3.175) 3.860 11.147 ( -0.363 -3.500 -3.001) 4.624 11.451 ( 1.528 5.632 -0.265) 5.841 11.533 ( 0.469 -2.469 0.510) 2.564 12.001 ( -0.989 -0.414 2.934) 3.124 12.036 ( -1.249 -3.960 2.477) 4.835 12.191 ( 1.074 2.945 2.136) 3.794 12.204 ( -0.707 1.527 1.110) 2.016 12.276 ( 4.569 2.500 2.299) 5.694 12.349 ( 5.910 -4.214 4.670) 8.631 12.469 ( 0.627 6.619 3.402) 7.468 12.569 ( -2.132 -1.971 3.640) 4.656 12.639 ( 1.466 2.339 -1.360) 3.077 12.672 ( 1.341 0.426 -2.269) 2.670 12.760 ( 4.921 -1.034 1.920) 5.382 12.789 ( 1.160 -4.286 -0.112) 4.442 12.970 ( 1.819 3.282 -2.435) 4.473 13.045 ( 5.278 -3.658 0.193) 6.425 13.130 ( -0.482 0.874 0.023) 0.998 13.191 ( 0.465 -3.689 -2.179) 4.309 13.277 ( -0.826 2.352 -0.190) 2.500 13.312 ( -3.351 -2.700 1.841) 4.681 13.528 ( 2.561 1.063 -0.705) 2.861 13.567 ( -4.633 -3.337 -0.176) 5.713 13.629 ( -6.975 4.180 3.060) 8.688 13.687 ( -7.134 0.278 4.191) 8.278 13.751 ( 1.121 -1.968 -5.588) 6.029 13.774 ( 1.928 -2.216 0.083) 2.939 14.057 ( 2.317 7.535 3.352) 8.566 14.209 ( 2.564 -9.123 3.095) 9.969 14.525 ( 2.104 9.411 -3.826) 10.374 14.582 ( 6.255 6.699 -3.897) 9.959 14.653 ( 0.074 2.535 2.134) 3.314 14.732 ( 3.850 -5.612 2.757) 7.343 14.886 ( -2.576 1.085 -3.502) 4.481 14.911 ( -0.193 -0.820 -2.036) 2.204 15.214 ( 0.313 6.836 -3.475) 7.675 15.353 ( 1.928 -5.448 -2.994) 6.508 15.436 ( 0.052 3.319 -2.054) 3.903 15.497 ( 1.173 -3.907 -1.903) 4.501 15.643 ( 3.565 3.739 1.011) 5.264 15.705 ( 6.722 -3.630 1.265) 7.744 15.984 ( -4.542 11.976 -0.131) 12.809 16.146 ( -3.524 -3.898 -3.792) 6.481 16.184 ( 0.353 3.038 3.154) 4.393 16.244 ( -2.332 -4.303 3.235) 5.867 16.355 ( -2.944 1.512 0.068) 3.311 16.412 ( -2.378 -3.817 0.815) 4.570 16.683 ( -1.014 4.151 -1.417) 4.502 16.766 ( -1.395 -5.659 -2.705) 6.426 16.942 ( -1.716 -0.114 -1.456) 2.254 16.979 ( -0.986 -4.167 -0.408) 4.301 19.336 ( 0.212 3.473 0.488) 3.514 19.405 ( 1.676 -3.213 0.223) 3.631 19.501 ( -1.823 0.718 0.495) 2.021 19.584 ( 2.183 -7.116 -3.118) 8.070 21.091 ( -1.885 5.569 -0.390) 5.892 21.173 ( -1.202 -3.303 -1.819) 3.958 21.274 ( -2.144 3.531 -0.171) 4.135 21.322 ( 0.611 -1.129 0.759) 1.491 25.040 ( -0.353 0.273 2.505) 2.545 25.054 ( 0.603 -1.347 2.909) 3.262 25.435 ( -2.563 2.719 1.447) 4.007 25.490 ( -2.523 -3.239 3.317) 5.278 26.091 ( -0.075 1.646 -3.087) 3.499 26.106 ( 0.019 0.081 -2.317) 2.319 26.232 ( 1.796 1.687 2.814) 3.740 26.249 ( 1.490 -0.473 2.692) 3.113 26.617 ( -3.584 1.416 -1.799) 4.252 26.657 ( -1.988 -2.612 0.703) 3.357 27.088 ( 1.646 4.482 2.407) 5.346 27.180 ( 1.915 -5.519 1.926) 6.151 27.321 ( -3.540 1.980 0.745) 4.124 27.374 ( -3.929 -3.552 0.538) 5.324 27.585 ( -5.782 1.765 0.516) 6.068 27.607 ( -6.348 0.979 -0.443) 6.438 27.642 ( 0.847 2.487 -0.985) 2.806 27.715 ( 1.896 -3.829 -1.370) 4.487 28.076 ( 6.673 3.407 5.827) 9.492 28.127 ( 2.451 -1.956 2.567) 4.053 28.249 ( -1.536 7.602 -6.148) 9.897 28.314 ( 2.480 1.500 -0.528) 2.946 28.383 ( 0.680 -1.205 1.948) 2.389 28.398 ( -0.287 2.087 -1.747) 2.736 28.534 ( -1.348 -0.184 -0.674) 1.519 28.598 ( -1.681 1.600 0.946) 2.506 28.722 ( 3.883 -2.747 -4.497) 6.546 28.781 ( 1.867 -7.061 -2.935) 7.872 29.120 ( 10.054 3.214 2.954) 10.960 29.193 ( 9.599 -4.394 3.406) 11.092 29.531 ( 2.716 3.425 -4.894) 6.562 29.587 ( 2.820 -1.716 -5.204) 6.163 29.921 ( -2.525 5.686 2.426) 6.677 29.995 ( -1.550 -1.161 2.343) 3.040 30.271 ( 0.434 6.757 2.898) 7.365 30.423 ( -1.046 -10.692 -0.302) 10.747 30.606 ( -0.185 4.593 -2.141) 5.071 30.750 ( -2.575 -10.810 1.915) 11.276 31.231 ( -6.969 6.806 -0.129) 9.742 31.334 ( -4.822 -4.218 -2.181) 6.768 ======================= Grid point 108 (63/63) ======================= q-point: (-0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 8.723 13.245 24.934) 29.551 1.466 ( -1.968 5.741 10.248) 11.910 1.592 ( -3.184 -3.111 16.057) 16.662 1.745 ( 0.239 -5.967 2.008) 6.300 2.005 ( -0.575 0.176 -2.614) 2.683 2.110 ( -2.076 -7.354 -4.978) 9.120 2.295 ( 4.981 6.628 -0.631) 8.315 2.366 ( 3.463 0.181 4.022) 5.311 2.410 ( 4.870 3.995 -5.447) 8.327 2.518 ( 3.109 -7.049 -2.873) 8.222 2.647 ( -12.603 12.948 14.556) 23.203 2.698 ( 3.661 5.248 -1.306) 6.531 2.749 ( -0.162 -4.267 5.212) 6.738 2.841 ( -2.560 -4.896 -4.110) 6.886 2.909 ( 0.886 2.067 -1.136) 2.519 2.981 ( -1.069 -2.231 0.014) 2.474 3.050 ( -3.558 1.759 2.824) 4.871 3.088 ( -1.843 -1.434 2.345) 3.309 3.211 ( -3.447 5.848 -1.423) 6.936 3.249 ( -2.788 3.356 -3.243) 5.436 3.315 ( -1.694 -1.013 1.426) 2.435 3.431 ( -2.839 -9.928 2.551) 10.637 3.585 ( -2.594 7.258 -2.595) 8.133 3.629 ( 1.116 3.480 1.551) 3.970 3.763 ( -4.266 0.327 4.423) 6.154 3.836 ( 0.220 -3.158 -1.703) 3.595 3.874 ( -3.108 4.326 3.140) 6.183 3.985 ( 3.729 -3.141 -3.605) 6.063 4.185 ( 3.238 2.271 4.899) 6.296 4.187 ( 0.311 4.485 -1.394) 4.707 4.208 ( 3.928 0.364 -2.475) 4.657 4.223 ( -3.681 2.048 1.216) 4.385 4.271 ( -1.297 -5.128 -2.383) 5.802 4.314 ( -0.616 -4.833 -2.556) 5.502 4.454 ( 3.081 2.975 -3.494) 5.527 4.479 ( -0.942 2.089 0.822) 2.435 4.520 ( -0.017 -2.055 -2.689) 3.385 4.605 ( -0.190 -5.299 -1.789) 5.596 4.738 ( -0.999 4.415 1.069) 4.651 4.823 ( -1.351 -3.976 2.168) 4.726 4.919 ( 1.025 0.229 -2.822) 3.011 4.954 ( 2.846 -2.739 -2.929) 4.917 5.032 ( 0.291 1.409 2.407) 2.804 5.089 ( 1.717 -3.564 1.666) 4.292 5.208 ( 0.203 3.659 -3.370) 4.979 5.258 ( 0.735 -1.691 -0.761) 1.995 5.476 ( 0.179 2.559 -6.700) 7.174 5.511 ( -0.041 -0.534 -3.945) 3.981 5.520 ( 2.668 6.064 -3.935) 7.705 5.601 ( 2.565 -1.510 -2.107) 3.647 5.666 ( 0.678 -1.792 0.341) 1.946 5.683 ( -0.502 -3.453 -0.932) 3.612 5.733 ( 0.046 1.755 -3.613) 4.017 5.825 ( 2.967 -5.870 -4.419) 7.924 5.907 ( -1.867 1.065 1.122) 2.425 5.933 ( -1.632 -0.089 0.832) 1.834 6.000 ( -0.107 -2.579 -2.545) 3.625 6.013 ( 1.069 -3.012 -2.618) 4.131 6.214 ( 0.838 0.528 1.805) 2.059 6.255 ( 0.107 -3.981 0.566) 4.022 6.489 ( 0.450 2.169 -1.822) 2.868 6.514 ( -1.859 -0.082 -3.628) 4.077 6.640 ( 1.445 1.392 3.277) 3.842 6.651 ( 0.193 -0.259 1.888) 1.915 6.924 ( 2.226 4.741 5.098) 7.309 6.959 ( 1.036 0.831 1.774) 2.216 7.014 ( -2.459 -0.447 5.189) 5.759 7.076 ( 3.911 -4.978 0.543) 6.354 7.383 ( -0.092 2.165 0.121) 2.170 7.400 ( 2.421 0.621 0.424) 2.535 7.457 ( 0.478 6.255 -2.643) 6.807 7.561 ( -1.840 -4.374 -1.860) 5.097 7.743 ( 2.743 1.713 3.429) 4.713 7.786 ( 0.152 -2.360 4.107) 4.739 7.960 ( 1.776 2.061 1.056) 2.919 7.985 ( 0.819 -0.114 1.492) 1.706 8.321 ( 5.117 1.620 -2.929) 6.114 8.354 ( 2.072 -0.641 0.496) 2.225 8.552 ( 3.912 1.584 1.225) 4.394 8.566 ( 6.658 -0.452 1.887) 6.935 8.740 ( -0.217 0.903 0.088) 0.932 8.776 ( -0.709 -2.094 0.901) 2.387 8.849 ( 1.853 7.554 -0.274) 7.782 8.944 ( 2.676 -1.641 -3.740) 4.883 8.974 ( 1.602 0.050 -0.130) 1.608 9.018 ( -6.622 -1.545 2.303) 7.179 9.139 ( 2.181 2.559 -3.289) 4.703 9.204 ( -0.813 -0.824 0.012) 1.158 9.255 ( -0.808 -0.151 -1.077) 1.355 9.355 ( 1.304 -6.213 -4.100) 7.558 9.529 ( -4.258 3.654 0.995) 5.699 9.579 ( 0.119 -1.223 -0.785) 1.458 9.641 ( 0.655 -3.276 -1.269) 3.574 9.678 ( -0.716 -1.812 1.343) 2.366 9.984 ( -4.758 3.805 2.100) 6.444 10.033 ( -0.110 -1.221 -1.694) 2.091 10.123 ( -0.509 2.125 0.251) 2.199 10.211 ( -2.242 -6.094 -2.361) 6.910 10.399 ( 2.175 1.710 1.065) 2.965 10.439 ( -1.116 -2.451 1.393) 3.032 10.655 ( 0.950 2.036 1.898) 2.941 10.740 ( 2.487 -5.367 0.876) 5.979 10.845 ( -0.702 1.885 0.013) 2.012 10.929 ( -3.057 -5.441 0.492) 6.260 11.112 ( 3.302 2.348 1.019) 4.178 11.150 ( 2.836 -1.847 0.582) 3.434 11.423 ( -1.771 3.929 -4.365) 6.135 11.476 ( -4.363 -1.286 -3.129) 5.521 12.010 ( -0.723 -0.990 0.870) 1.503 12.023 ( -3.583 -2.679 3.328) 5.576 12.189 ( -0.386 -0.743 -1.241) 1.497 12.195 ( -0.703 -1.171 -0.371) 1.415 12.404 ( 4.951 6.191 3.051) 8.494 12.496 ( 4.237 -3.256 3.648) 6.470 12.531 ( 0.838 3.129 4.581) 5.610 12.566 ( -2.838 -0.512 4.393) 5.255 12.637 ( 1.345 2.973 -0.254) 3.273 12.679 ( 1.916 -0.227 -1.854) 2.676 12.800 ( 1.186 -0.322 -1.351) 1.826 12.846 ( 2.306 -4.157 0.406) 4.772 12.974 ( -0.655 10.231 0.107) 10.252 13.060 ( -3.846 1.444 -2.926) 5.044 13.132 ( -1.295 -3.327 -1.579) 3.904 13.155 ( 3.901 -5.891 1.730) 7.274 13.305 ( 1.083 0.572 -0.368) 1.279 13.349 ( 5.360 -2.235 -1.887) 6.107 13.452 ( -6.243 0.602 1.925) 6.561 13.517 ( -3.165 -4.520 1.620) 5.751 13.617 ( 3.262 3.193 2.930) 5.424 13.666 ( 1.000 -0.825 4.414) 4.601 13.762 ( 1.736 2.960 -1.636) 3.802 13.819 ( 2.269 -2.541 -3.122) 4.621 14.158 ( 2.458 5.490 7.659) 9.739 14.270 ( -0.078 -6.823 5.084) 8.509 14.514 ( 1.584 7.610 -4.050) 8.765 14.612 ( 2.079 2.081 -5.441) 6.186 14.640 ( -2.197 4.577 -0.147) 5.079 14.780 ( -3.909 7.249 -5.066) 9.670 14.792 ( 1.180 -8.102 0.524) 8.204 14.888 ( 0.730 -3.420 -4.177) 5.447 15.210 ( 3.051 8.229 -2.317) 9.077 15.340 ( 0.034 -3.851 -2.673) 4.688 15.439 ( 2.027 3.923 -1.035) 4.535 15.506 ( 1.599 -3.085 -1.823) 3.924 15.713 ( 3.322 5.711 0.523) 6.628 15.806 ( 2.174 -1.604 -1.523) 3.101 15.894 ( -2.016 4.213 -1.126) 4.804 16.010 ( -6.753 -4.184 -4.904) 9.336 16.199 ( -2.575 -1.198 3.543) 4.541 16.233 ( -3.362 -5.613 4.091) 7.717 16.328 ( 0.688 2.394 -0.588) 2.559 16.384 ( -2.166 -3.183 0.627) 3.901 16.667 ( 0.561 2.909 -0.481) 3.001 16.720 ( -1.343 -2.838 -1.293) 3.396 16.890 ( -1.284 1.778 -2.952) 3.677 16.929 ( -2.321 -1.958 -4.108) 5.108 19.331 ( -1.495 4.344 -0.467) 4.618 19.378 ( -2.262 2.017 -4.562) 5.477 19.492 ( -0.425 -2.176 3.198) 3.891 19.575 ( 0.811 -8.366 -2.896) 8.890 21.086 ( 0.868 5.487 1.037) 5.651 21.177 ( 2.658 -3.744 0.432) 4.612 21.222 ( -3.410 4.936 -0.069) 6.000 21.319 ( -1.772 -4.601 0.598) 4.966 25.059 ( -0.400 1.121 2.578) 2.840 25.091 ( 0.431 -2.491 1.960) 3.199 25.412 ( -1.891 1.874 1.793) 3.210 25.467 ( -3.370 -4.226 2.120) 5.806 26.068 ( 0.380 2.553 -2.197) 3.389 26.091 ( 0.250 0.160 -1.864) 1.888 26.274 ( 0.416 0.564 1.176) 1.369 26.280 ( -0.272 -0.117 0.580) 0.651 26.591 ( 1.160 3.973 4.037) 5.782 26.666 ( 0.762 -3.940 3.626) 5.409 27.133 ( -0.051 3.415 1.347) 3.672 27.176 ( -3.139 -1.257 -1.843) 3.851 27.276 ( -5.467 0.230 1.398) 5.648 27.312 ( 0.302 -3.509 1.636) 3.883 27.487 ( -4.426 1.647 -1.376) 4.919 27.516 ( -2.203 -1.351 -3.269) 4.167 27.659 ( 1.827 5.342 0.662) 5.685 27.756 ( 2.319 -4.647 1.475) 5.399 28.020 ( -5.838 6.538 -6.150) 10.708 28.116 ( -3.980 -4.238 -4.058) 7.090 28.279 ( 3.260 4.291 0.775) 5.444 28.348 ( -0.043 0.500 -0.178) 0.533 28.412 ( 0.644 0.206 1.297) 1.462 28.474 ( 5.526 2.574 4.785) 7.750 28.507 ( 0.159 0.973 -2.169) 2.382 28.602 ( 0.335 -0.622 1.830) 1.962 28.795 ( 7.031 -5.682 -0.596) 9.059 28.831 ( 6.149 -6.201 -1.091) 8.801 29.321 ( 9.120 3.629 2.734) 10.189 29.382 ( 8.719 -2.420 1.361) 9.150 29.523 ( -0.998 1.646 -0.533) 1.998 29.557 ( 0.966 -1.543 -5.800) 6.078 29.925 ( 0.085 5.363 3.684) 6.508 29.996 ( -1.557 -1.960 3.283) 4.128 30.280 ( -4.022 3.624 5.269) 7.554 30.340 ( -5.657 -3.262 1.914) 6.804 30.675 ( 8.807 2.495 -3.275) 9.722 30.772 ( 5.763 -7.950 -1.143) 9.885 31.076 ( -10.018 6.118 -1.635) 11.851 31.180 ( -10.461 -4.859 -2.120) 11.727 =================== 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 3/40800 10.0 2114.535 1184.072 913.160 0.000 -39.758 0.000 3/40800 20.0 220.370 155.588 199.653 0.000 4.491 0.000 3/40800 30.0 76.254 55.204 77.688 0.000 3.680 0.000 3/40800 40.0 39.327 28.938 41.233 0.000 2.288 0.000 3/40800 50.0 24.797 18.497 26.223 0.000 1.533 0.000 3/40800 60.0 17.559 13.252 18.621 0.000 1.111 0.000 3/40800 70.0 13.382 10.200 14.205 0.000 0.853 0.000 3/40800 80.0 10.722 8.242 11.383 0.000 0.685 0.000 3/40800 90.0 8.905 6.894 9.451 0.000 0.568 0.000 3/40800 100.0 7.596 5.917 8.059 0.000 0.483 0.000 3/40800 110.0 6.615 5.180 7.014 0.000 0.419 0.000 3/40800 120.0 5.856 4.607 6.205 0.000 0.369 0.000 3/40800 130.0 5.252 4.149 5.562 0.000 0.329 0.000 3/40800 140.0 4.762 3.775 5.040 0.000 0.297 0.000 3/40800 150.0 4.357 3.465 4.609 0.000 0.271 0.000 3/40800 160.0 4.016 3.204 4.246 0.000 0.248 0.000 3/40800 170.0 3.727 2.980 3.937 0.000 0.229 0.000 3/40800 180.0 3.477 2.787 3.671 0.000 0.213 0.000 3/40800 190.0 3.260 2.619 3.440 0.000 0.199 0.000 3/40800 200.0 3.069 2.471 3.237 0.000 0.186 0.000 3/40800 210.0 2.900 2.339 3.058 0.000 0.175 0.000 3/40800 220.0 2.750 2.222 2.898 0.000 0.165 0.000 3/40800 230.0 2.615 2.116 2.754 0.000 0.157 0.000 3/40800 240.0 2.493 2.020 2.625 0.000 0.149 0.000 3/40800 250.0 2.383 1.934 2.508 0.000 0.142 0.000 3/40800 260.0 2.282 1.854 2.401 0.000 0.135 0.000 3/40800 270.0 2.190 1.782 2.303 0.000 0.129 0.000 3/40800 280.0 2.106 1.715 2.213 0.000 0.124 0.000 3/40800 290.0 2.028 1.653 2.130 0.000 0.119 0.000 3/40800 300.0 1.956 1.595 2.054 0.000 0.114 0.000 3/40800 310.0 1.889 1.542 1.983 0.000 0.110 0.000 3/40800 320.0 1.827 1.493 1.917 0.000 0.106 0.000 3/40800 330.0 1.769 1.446 1.855 0.000 0.102 0.000 3/40800 340.0 1.714 1.403 1.798 0.000 0.099 0.000 3/40800 350.0 1.664 1.362 1.744 0.000 0.095 0.000 3/40800 360.0 1.616 1.323 1.693 0.000 0.092 0.000 3/40800 370.0 1.571 1.287 1.645 0.000 0.090 0.000 3/40800 380.0 1.528 1.253 1.600 0.000 0.087 0.000 3/40800 390.0 1.488 1.221 1.557 0.000 0.084 0.000 3/40800 400.0 1.450 1.190 1.517 0.000 0.082 0.000 3/40800 410.0 1.414 1.161 1.479 0.000 0.080 0.000 3/40800 420.0 1.379 1.133 1.443 0.000 0.078 0.000 3/40800 430.0 1.347 1.107 1.408 0.000 0.076 0.000 3/40800 440.0 1.316 1.082 1.375 0.000 0.074 0.000 3/40800 450.0 1.286 1.058 1.344 0.000 0.072 0.000 3/40800 460.0 1.258 1.035 1.314 0.000 0.070 0.000 3/40800 470.0 1.231 1.013 1.286 0.000 0.068 0.000 3/40800 480.0 1.205 0.992 1.258 0.000 0.067 0.000 3/40800 490.0 1.180 0.972 1.232 0.000 0.065 0.000 3/40800 500.0 1.157 0.952 1.207 0.000 0.064 0.000 3/40800 510.0 1.134 0.934 1.183 0.000 0.063 0.000 3/40800 520.0 1.112 0.916 1.160 0.000 0.061 0.000 3/40800 530.0 1.091 0.899 1.138 0.000 0.060 0.000 3/40800 540.0 1.071 0.882 1.117 0.000 0.059 0.000 3/40800 550.0 1.051 0.866 1.096 0.000 0.058 0.000 3/40800 560.0 1.032 0.851 1.076 0.000 0.056 0.000 3/40800 570.0 1.014 0.836 1.057 0.000 0.055 0.000 3/40800 580.0 0.997 0.822 1.039 0.000 0.054 0.000 3/40800 590.0 0.980 0.808 1.021 0.000 0.053 0.000 3/40800 600.0 0.964 0.795 1.004 0.000 0.052 0.000 3/40800 610.0 0.948 0.782 0.987 0.000 0.051 0.000 3/40800 620.0 0.933 0.770 0.971 0.000 0.051 0.000 3/40800 630.0 0.918 0.758 0.956 0.000 0.050 0.000 3/40800 640.0 0.904 0.746 0.941 0.000 0.049 0.000 3/40800 650.0 0.890 0.734 0.926 0.000 0.048 0.000 3/40800 660.0 0.876 0.723 0.912 0.000 0.047 0.000 3/40800 670.0 0.863 0.713 0.899 0.000 0.047 0.000 3/40800 680.0 0.851 0.702 0.885 0.000 0.046 0.000 3/40800 690.0 0.838 0.692 0.872 0.000 0.045 0.000 3/40800 700.0 0.826 0.683 0.860 0.000 0.044 0.000 3/40800 710.0 0.815 0.673 0.848 0.000 0.044 0.000 3/40800 720.0 0.804 0.664 0.836 0.000 0.043 0.000 3/40800 730.0 0.793 0.655 0.825 0.000 0.042 0.000 3/40800 740.0 0.782 0.646 0.813 0.000 0.042 0.000 3/40800 750.0 0.772 0.638 0.803 0.000 0.041 0.000 3/40800 760.0 0.761 0.629 0.792 0.000 0.041 0.000 3/40800 770.0 0.752 0.621 0.782 0.000 0.040 0.000 3/40800 780.0 0.742 0.613 0.772 0.000 0.040 0.000 3/40800 790.0 0.733 0.606 0.762 0.000 0.039 0.000 3/40800 800.0 0.724 0.598 0.752 0.000 0.039 0.000 3/40800 810.0 0.715 0.591 0.743 0.000 0.038 0.000 3/40800 820.0 0.706 0.584 0.734 0.000 0.038 0.000 3/40800 830.0 0.698 0.577 0.725 0.000 0.037 0.000 3/40800 840.0 0.689 0.570 0.716 0.000 0.037 0.000 3/40800 850.0 0.681 0.563 0.708 0.000 0.036 0.000 3/40800 860.0 0.673 0.557 0.700 0.000 0.036 0.000 3/40800 870.0 0.666 0.550 0.692 0.000 0.035 0.000 3/40800 880.0 0.658 0.544 0.684 0.000 0.035 0.000 3/40800 890.0 0.651 0.538 0.676 0.000 0.034 0.000 3/40800 900.0 0.644 0.532 0.669 0.000 0.034 0.000 3/40800 910.0 0.637 0.527 0.661 0.000 0.034 0.000 3/40800 920.0 0.630 0.521 0.654 0.000 0.033 0.000 3/40800 930.0 0.623 0.515 0.647 0.000 0.033 0.000 3/40800 940.0 0.616 0.510 0.640 0.000 0.033 0.000 3/40800 950.0 0.610 0.505 0.634 0.000 0.032 0.000 3/40800 960.0 0.604 0.499 0.627 0.000 0.032 0.000 3/40800 970.0 0.597 0.494 0.620 0.000 0.032 0.000 3/40800 980.0 0.591 0.489 0.614 0.000 0.031 0.000 3/40800 990.0 0.585 0.484 0.608 0.000 0.031 0.000 3/40800 1000.0 0.580 0.480 0.602 0.000 0.031 0.000 3/40800 Thermal conductivity related properties were written into "kappa-m855.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:26:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|