----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:48:04]------------------------- 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 7.886479980001466 0.000000000000000 0.000000000000000 b 0.000000000000000 11.014319549999998 0.000000000000000 c -3.845920380458049 0.000000000000000 10.723739254357666 Atomic positions (fractional): *1 La 0.02730557174987 0.08142825877828 0.81110355615491 138.905 2 La 0.02730557174987 0.41857174122172 0.31110355615491 138.905 *3 La 0.16349566443089 0.87435760339521 0.58366569088327 138.905 *4 La 0.33309455133267 0.37490627826705 0.92588612248386 138.905 5 La 0.16349566443089 0.62564239660479 0.08366569088327 138.905 6 La 0.33309455133267 0.12509372173295 0.42588612248386 138.905 *7 La 0.47623280352268 0.59536011611799 0.70970742145363 138.905 8 La 0.52376719647732 0.09536011611799 0.79029257854637 138.905 9 La 0.47623280352268 0.90463988388201 0.20970742145363 138.905 10 La 0.52376719647732 0.40463988388201 0.29029257854637 138.905 11 La 0.66690544866733 0.87490627826705 0.57411387751614 138.905 12 La 0.83650433556911 0.37435760339521 0.91633430911673 138.905 13 La 0.66690544866733 0.62509372173295 0.07411387751614 138.905 14 La 0.83650433556911 0.12564239660479 0.41633430911674 138.905 15 La 0.97269442825013 0.58142825877828 0.68889644384509 138.905 16 La 0.97269442825013 0.91857174122172 0.18889644384509 138.905 *17 Al 0.22652792174407 0.30453183407629 0.63087065168800 26.982 *18 Al 0.34890734651233 0.80665740971153 0.87788570141396 26.982 19 Al 0.22652792174407 0.19546816592371 0.13087065168800 26.982 20 Al 0.34890734651233 0.69334259028847 0.37788570141396 26.982 21 Al 0.65109265348767 0.30665740971153 0.62211429858604 26.982 22 Al 0.77347207825593 0.80453183407629 0.86912934831200 26.982 23 Al 0.65109265348767 0.19334259028847 0.12211429858604 26.982 24 Al 0.77347207825593 0.69546816592371 0.36912934831200 26.982 *25 O 0.08295342845008 0.23282299220796 0.98099147632763 15.999 *26 O 0.07512608019205 0.50050686656136 0.89434354773658 15.999 27 O 0.08295342845008 0.26717700779204 0.48099147632763 15.999 *28 O 0.21819378875073 0.71526317710274 0.75213319889009 15.999 *29 O 0.23102434074306 0.21671018716613 0.76254531566195 15.999 30 O 0.07512608019205 0.99949313343864 0.39434354773658 15.999 *31 O 0.22243572251108 0.45694758559641 0.67578855990631 15.999 *32 O 0.29612993585306 0.95678683516633 0.82308704892407 15.999 33 O 0.21819378875073 0.78473682289726 0.25213319889009 15.999 34 O 0.23102434074306 0.28328981283387 0.26254531566195 15.999 *35 O 0.36230230603647 0.72789949565520 0.53137483860225 15.999 36 O 0.22243572251108 0.04305241440359 0.17578855990631 15.999 *37 O 0.43598877881621 0.25827392201823 0.62076685456548 15.999 38 O 0.29612993585306 0.54321316483367 0.32308704892407 15.999 *39 O 0.57081874622590 0.49175365468813 0.89907698633665 15.999 40 O 0.42918125377410 0.99175365468813 0.60092301366335 15.999 41 O 0.56401122118379 0.75827392201823 0.87923314543452 15.999 42 O 0.63769769396353 0.22789949565520 0.96862516139775 15.999 43 O 0.36230230603647 0.77210050434480 0.03137483860225 15.999 44 O 0.43598877881621 0.24172607798177 0.12076685456548 15.999 45 O 0.57081874622590 0.00824634531187 0.39907698633665 15.999 46 O 0.42918125377410 0.50824634531187 0.10092301366335 15.999 47 O 0.70387006414694 0.45678683516633 0.67691295107593 15.999 48 O 0.56401122118379 0.74172607798177 0.37923314543452 15.999 49 O 0.77756427748892 0.95694758559641 0.82421144009369 15.999 50 O 0.63769769396353 0.27210050434480 0.46862516139775 15.999 51 O 0.76897565925694 0.71671018716613 0.73745468433805 15.999 52 O 0.78180621124927 0.21526317710274 0.74786680110991 15.999 53 O 0.70387006414694 0.04321316483367 0.17691295107593 15.999 54 O 0.77756427748892 0.54305241440359 0.32421144009369 15.999 55 O 0.92487391980795 0.00050686656136 0.60565645226342 15.999 56 O 0.76897565925694 0.78328981283387 0.23745468433805 15.999 57 O 0.78180621124927 0.28473682289726 0.24786680110991 15.999 58 O 0.91704657154992 0.73282299220796 0.51900852367237 15.999 59 O 0.92487391980795 0.49949313343864 0.10565645226342 15.999 60 O 0.91704657154992 0.76717700779204 0.01900852367237 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.886479980001466 0.000000000000000 0.000000000000000 b 0.000000000000000 11.014319549999998 0.000000000000000 c -3.845920380458049 0.000000000000000 10.723739254357666 Atomic positions (fractional): *1 La 0.02730557174987 0.08142825877828 0.81110355615491 138.905 > 1 2 La 0.02730557174987 0.41857174122172 0.31110355615491 138.905 > 2 *3 La 0.16349566443089 0.87435760339521 0.58366569088327 138.905 > 3 *4 La 0.33309455133267 0.37490627826705 0.92588612248386 138.905 > 4 5 La 0.16349566443089 0.62564239660479 0.08366569088327 138.905 > 5 6 La 0.33309455133267 0.12509372173295 0.42588612248386 138.905 > 6 *7 La 0.47623280352268 0.59536011611799 0.70970742145363 138.905 > 7 8 La 0.52376719647732 0.09536011611799 0.79029257854637 138.905 > 8 9 La 0.47623280352268 0.90463988388201 0.20970742145363 138.905 > 9 10 La 0.52376719647732 0.40463988388201 0.29029257854637 138.905 > 10 11 La 0.66690544866733 0.87490627826705 0.57411387751614 138.905 > 11 12 La 0.83650433556911 0.37435760339521 0.91633430911673 138.905 > 12 13 La 0.66690544866733 0.62509372173295 0.07411387751614 138.905 > 13 14 La 0.83650433556911 0.12564239660479 0.41633430911674 138.905 > 14 15 La 0.97269442825013 0.58142825877828 0.68889644384509 138.905 > 15 16 La 0.97269442825013 0.91857174122172 0.18889644384509 138.905 > 16 *17 Al 0.22652792174407 0.30453183407629 0.63087065168800 26.982 > 17 *18 Al 0.34890734651233 0.80665740971153 0.87788570141396 26.982 > 18 19 Al 0.22652792174407 0.19546816592371 0.13087065168800 26.982 > 19 20 Al 0.34890734651233 0.69334259028847 0.37788570141396 26.982 > 20 21 Al 0.65109265348767 0.30665740971153 0.62211429858604 26.982 > 21 22 Al 0.77347207825593 0.80453183407629 0.86912934831200 26.982 > 22 23 Al 0.65109265348767 0.19334259028847 0.12211429858604 26.982 > 23 24 Al 0.77347207825593 0.69546816592371 0.36912934831200 26.982 > 24 *25 O 0.08295342845008 0.23282299220796 0.98099147632763 15.999 > 25 *26 O 0.07512608019205 0.50050686656136 0.89434354773658 15.999 > 26 27 O 0.08295342845008 0.26717700779204 0.48099147632763 15.999 > 27 *28 O 0.21819378875073 0.71526317710274 0.75213319889009 15.999 > 28 *29 O 0.23102434074306 0.21671018716613 0.76254531566195 15.999 > 29 30 O 0.07512608019205 0.99949313343864 0.39434354773658 15.999 > 30 *31 O 0.22243572251108 0.45694758559641 0.67578855990631 15.999 > 31 *32 O 0.29612993585306 0.95678683516633 0.82308704892407 15.999 > 32 33 O 0.21819378875073 0.78473682289726 0.25213319889009 15.999 > 33 34 O 0.23102434074306 0.28328981283387 0.26254531566195 15.999 > 34 *35 O 0.36230230603647 0.72789949565520 0.53137483860225 15.999 > 35 36 O 0.22243572251108 0.04305241440359 0.17578855990631 15.999 > 36 *37 O 0.43598877881621 0.25827392201823 0.62076685456548 15.999 > 37 38 O 0.29612993585306 0.54321316483367 0.32308704892407 15.999 > 38 *39 O 0.57081874622590 0.49175365468813 0.89907698633665 15.999 > 39 40 O 0.42918125377410 0.99175365468813 0.60092301366335 15.999 > 40 41 O 0.56401122118379 0.75827392201823 0.87923314543452 15.999 > 41 42 O 0.63769769396353 0.22789949565520 0.96862516139775 15.999 > 42 43 O 0.36230230603647 0.77210050434480 0.03137483860225 15.999 > 43 44 O 0.43598877881621 0.24172607798177 0.12076685456548 15.999 > 44 45 O 0.57081874622590 0.00824634531187 0.39907698633665 15.999 > 45 46 O 0.42918125377410 0.50824634531187 0.10092301366335 15.999 > 46 47 O 0.70387006414694 0.45678683516633 0.67691295107593 15.999 > 47 48 O 0.56401122118379 0.74172607798177 0.37923314543452 15.999 > 48 49 O 0.77756427748892 0.95694758559641 0.82421144009369 15.999 > 49 50 O 0.63769769396353 0.27210050434480 0.46862516139775 15.999 > 50 51 O 0.76897565925694 0.71671018716613 0.73745468433805 15.999 > 51 52 O 0.78180621124927 0.21526317710274 0.74786680110991 15.999 > 52 53 O 0.70387006414694 0.04321316483367 0.17691295107593 15.999 > 53 54 O 0.77756427748892 0.54305241440359 0.32421144009369 15.999 > 54 55 O 0.92487391980795 0.00050686656136 0.60565645226342 15.999 > 55 56 O 0.76897565925694 0.78328981283387 0.23745468433805 15.999 > 56 57 O 0.78180621124927 0.28473682289726 0.24786680110991 15.999 > 57 58 O 0.91704657154992 0.73282299220796 0.51900852367237 15.999 > 58 59 O 0.92487391980795 0.49949313343864 0.10565645226342 15.999 > 59 60 O 0.91704657154992 0.76717700779204 0.01900852367237 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.772959960002932 0.000000000000000 0.000000000000000 b 0.000000000000000 11.014319549999998 0.000000000000000 c -3.845920380458049 0.000000000000000 10.723739254357666 Atomic positions (fractional): *1 La 0.01365278587493 0.08142825877828 0.81110355615491 138.905 > 1 2 La 0.51365278587493 0.08142825877828 0.81110355615491 138.905 > 1 3 La 0.01365278587493 0.41857174122172 0.31110355615491 138.905 > 2 4 La 0.51365278587493 0.41857174122172 0.31110355615491 138.905 > 2 *5 La 0.08174783221545 0.87435760339521 0.58366569088327 138.905 > 3 6 La 0.58174783221545 0.87435760339521 0.58366569088327 138.905 > 3 *7 La 0.16654727566634 0.37490627826705 0.92588612248386 138.905 > 4 8 La 0.66654727566634 0.37490627826705 0.92588612248386 138.905 > 4 9 La 0.08174783221545 0.62564239660479 0.08366569088327 138.905 > 5 10 La 0.58174783221545 0.62564239660479 0.08366569088327 138.905 > 5 11 La 0.16654727566634 0.12509372173295 0.42588612248386 138.905 > 6 12 La 0.66654727566634 0.12509372173295 0.42588612248386 138.905 > 6 *13 La 0.23811640176134 0.59536011611799 0.70970742145363 138.905 > 7 14 La 0.73811640176134 0.59536011611799 0.70970742145363 138.905 > 7 15 La 0.26188359823866 0.09536011611799 0.79029257854637 138.905 > 8 16 La 0.76188359823866 0.09536011611799 0.79029257854637 138.905 > 8 17 La 0.23811640176134 0.90463988388201 0.20970742145363 138.905 > 9 18 La 0.73811640176134 0.90463988388201 0.20970742145363 138.905 > 9 19 La 0.26188359823866 0.40463988388201 0.29029257854637 138.905 > 10 20 La 0.76188359823866 0.40463988388201 0.29029257854637 138.905 > 10 21 La 0.33345272433366 0.87490627826705 0.57411387751614 138.905 > 11 22 La 0.83345272433366 0.87490627826705 0.57411387751614 138.905 > 11 23 La 0.41825216778455 0.37435760339521 0.91633430911673 138.905 > 12 24 La 0.91825216778455 0.37435760339521 0.91633430911673 138.905 > 12 25 La 0.33345272433366 0.62509372173295 0.07411387751614 138.905 > 13 26 La 0.83345272433366 0.62509372173295 0.07411387751614 138.905 > 13 27 La 0.41825216778455 0.12564239660479 0.41633430911674 138.905 > 14 28 La 0.91825216778455 0.12564239660479 0.41633430911674 138.905 > 14 29 La 0.48634721412507 0.58142825877828 0.68889644384509 138.905 > 15 30 La 0.98634721412507 0.58142825877828 0.68889644384509 138.905 > 15 31 La 0.48634721412507 0.91857174122172 0.18889644384509 138.905 > 16 32 La 0.98634721412507 0.91857174122172 0.18889644384509 138.905 > 16 *33 Al 0.11326396087203 0.30453183407629 0.63087065168800 26.982 > 17 34 Al 0.61326396087203 0.30453183407629 0.63087065168800 26.982 > 17 *35 Al 0.17445367325617 0.80665740971153 0.87788570141396 26.982 > 18 36 Al 0.67445367325617 0.80665740971153 0.87788570141396 26.982 > 18 37 Al 0.11326396087203 0.19546816592371 0.13087065168800 26.982 > 19 38 Al 0.61326396087203 0.19546816592371 0.13087065168800 26.982 > 19 39 Al 0.17445367325617 0.69334259028847 0.37788570141396 26.982 > 20 40 Al 0.67445367325617 0.69334259028847 0.37788570141396 26.982 > 20 41 Al 0.32554632674383 0.30665740971153 0.62211429858604 26.982 > 21 42 Al 0.82554632674383 0.30665740971153 0.62211429858604 26.982 > 21 43 Al 0.38673603912797 0.80453183407629 0.86912934831200 26.982 > 22 44 Al 0.88673603912797 0.80453183407629 0.86912934831200 26.982 > 22 45 Al 0.32554632674383 0.19334259028847 0.12211429858604 26.982 > 23 46 Al 0.82554632674383 0.19334259028847 0.12211429858604 26.982 > 23 47 Al 0.38673603912797 0.69546816592371 0.36912934831200 26.982 > 24 48 Al 0.88673603912797 0.69546816592371 0.36912934831200 26.982 > 24 *49 O 0.04147671422504 0.23282299220796 0.98099147632763 15.999 > 25 50 O 0.54147671422504 0.23282299220796 0.98099147632763 15.999 > 25 *51 O 0.03756304009602 0.50050686656136 0.89434354773658 15.999 > 26 52 O 0.53756304009602 0.50050686656136 0.89434354773658 15.999 > 26 53 O 0.04147671422504 0.26717700779204 0.48099147632763 15.999 > 27 54 O 0.54147671422504 0.26717700779204 0.48099147632763 15.999 > 27 *55 O 0.10909689437537 0.71526317710274 0.75213319889009 15.999 > 28 56 O 0.60909689437537 0.71526317710274 0.75213319889009 15.999 > 28 *57 O 0.11551217037153 0.21671018716613 0.76254531566195 15.999 > 29 58 O 0.61551217037153 0.21671018716613 0.76254531566195 15.999 > 29 59 O 0.03756304009602 0.99949313343864 0.39434354773658 15.999 > 30 60 O 0.53756304009602 0.99949313343864 0.39434354773658 15.999 > 30 *61 O 0.11121786125554 0.45694758559641 0.67578855990631 15.999 > 31 62 O 0.61121786125554 0.45694758559641 0.67578855990631 15.999 > 31 *63 O 0.14806496792653 0.95678683516633 0.82308704892407 15.999 > 32 64 O 0.64806496792653 0.95678683516633 0.82308704892407 15.999 > 32 65 O 0.10909689437537 0.78473682289726 0.25213319889009 15.999 > 33 66 O 0.60909689437537 0.78473682289726 0.25213319889009 15.999 > 33 67 O 0.11551217037153 0.28328981283387 0.26254531566195 15.999 > 34 68 O 0.61551217037153 0.28328981283387 0.26254531566195 15.999 > 34 *69 O 0.18115115301824 0.72789949565520 0.53137483860225 15.999 > 35 70 O 0.68115115301824 0.72789949565520 0.53137483860225 15.999 > 35 71 O 0.11121786125554 0.04305241440359 0.17578855990631 15.999 > 36 72 O 0.61121786125554 0.04305241440359 0.17578855990631 15.999 > 36 *73 O 0.21799438940811 0.25827392201823 0.62076685456548 15.999 > 37 74 O 0.71799438940811 0.25827392201823 0.62076685456548 15.999 > 37 75 O 0.14806496792653 0.54321316483367 0.32308704892407 15.999 > 38 76 O 0.64806496792653 0.54321316483367 0.32308704892407 15.999 > 38 *77 O 0.28540937311295 0.49175365468813 0.89907698633665 15.999 > 39 78 O 0.78540937311295 0.49175365468813 0.89907698633665 15.999 > 39 79 O 0.21459062688705 0.99175365468813 0.60092301366335 15.999 > 40 80 O 0.71459062688705 0.99175365468813 0.60092301366335 15.999 > 40 81 O 0.28200561059189 0.75827392201823 0.87923314543452 15.999 > 41 82 O 0.78200561059189 0.75827392201823 0.87923314543452 15.999 > 41 83 O 0.31884884698176 0.22789949565520 0.96862516139775 15.999 > 42 84 O 0.81884884698176 0.22789949565520 0.96862516139775 15.999 > 42 85 O 0.18115115301824 0.77210050434480 0.03137483860225 15.999 > 43 86 O 0.68115115301824 0.77210050434480 0.03137483860225 15.999 > 43 87 O 0.21799438940811 0.24172607798177 0.12076685456548 15.999 > 44 88 O 0.71799438940811 0.24172607798177 0.12076685456548 15.999 > 44 89 O 0.28540937311295 0.00824634531187 0.39907698633665 15.999 > 45 90 O 0.78540937311295 0.00824634531187 0.39907698633665 15.999 > 45 91 O 0.21459062688705 0.50824634531187 0.10092301366335 15.999 > 46 92 O 0.71459062688705 0.50824634531187 0.10092301366335 15.999 > 46 93 O 0.35193503207347 0.45678683516633 0.67691295107593 15.999 > 47 94 O 0.85193503207347 0.45678683516633 0.67691295107593 15.999 > 47 95 O 0.28200561059189 0.74172607798177 0.37923314543452 15.999 > 48 96 O 0.78200561059189 0.74172607798177 0.37923314543452 15.999 > 48 97 O 0.38878213874446 0.95694758559641 0.82421144009369 15.999 > 49 98 O 0.88878213874446 0.95694758559641 0.82421144009369 15.999 > 49 99 O 0.31884884698176 0.27210050434480 0.46862516139775 15.999 > 50 100 O 0.81884884698176 0.27210050434480 0.46862516139775 15.999 > 50 101 O 0.38448782962847 0.71671018716613 0.73745468433805 15.999 > 51 102 O 0.88448782962847 0.71671018716613 0.73745468433805 15.999 > 51 103 O 0.39090310562463 0.21526317710274 0.74786680110991 15.999 > 52 104 O 0.89090310562463 0.21526317710274 0.74786680110991 15.999 > 52 105 O 0.35193503207347 0.04321316483367 0.17691295107593 15.999 > 53 106 O 0.85193503207347 0.04321316483367 0.17691295107593 15.999 > 53 107 O 0.38878213874446 0.54305241440359 0.32421144009369 15.999 > 54 108 O 0.88878213874446 0.54305241440359 0.32421144009369 15.999 > 54 109 O 0.46243695990398 0.00050686656136 0.60565645226342 15.999 > 55 110 O 0.96243695990398 0.00050686656136 0.60565645226342 15.999 > 55 111 O 0.38448782962847 0.78328981283387 0.23745468433805 15.999 > 56 112 O 0.88448782962847 0.78328981283387 0.23745468433805 15.999 > 56 113 O 0.39090310562463 0.28473682289726 0.24786680110991 15.999 > 57 114 O 0.89090310562463 0.28473682289726 0.24786680110991 15.999 > 57 115 O 0.45852328577496 0.73282299220796 0.51900852367237 15.999 > 58 116 O 0.95852328577496 0.73282299220796 0.51900852367237 15.999 > 58 117 O 0.46243695990398 0.49949313343864 0.10565645226342 15.999 > 59 118 O 0.96243695990398 0.49949313343864 0.10565645226342 15.999 > 59 119 O 0.45852328577496 0.76717700779204 0.01900852367237 15.999 > 60 120 O 0.95852328577496 0.76717700779204 0.01900852367237 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9302938 0.0000000 0.0191595 0.0000000 3.8740807 0.0000000 0.0191653 0.0000000 3.7917745 -------------------------- Born effective charges -------------------------- 1 La 4.5668067 -0.0404172 0.0255860 -0.0364703 3.9947196 0.7191173 0.0203387 0.7716139 3.4991099 2 La 4.5668067 0.0404172 0.0255860 0.0364703 3.9947196 -0.7191173 0.0203387 -0.7716139 3.4991099 3 La 4.4121347 0.0839720 -0.0078834 0.0782693 4.0215783 -0.3161072 0.0476776 -0.5067215 3.3829969 4 La 4.0653734 0.0800586 0.0791263 0.0700664 3.9008269 0.2277987 0.0361820 0.3803877 3.8307844 5 La 4.4121347 -0.0839720 -0.0078834 -0.0782693 4.0215783 0.3161072 0.0476776 0.5067215 3.3829969 6 La 4.0653734 -0.0800586 0.0791263 -0.0700664 3.9008269 -0.2277987 0.0361820 -0.3803877 3.8307844 7 La 4.0188090 -0.0100257 0.0574147 -0.0052030 4.0584616 -0.6366196 0.0639332 -0.6447387 3.7593662 8 La 4.0188090 0.0100257 0.0574147 0.0052030 4.0584616 0.6366196 0.0639332 0.6447387 3.7593662 9 La 4.0188090 0.0100257 0.0574147 0.0052030 4.0584616 0.6366196 0.0639332 0.6447387 3.7593662 10 La 4.0188090 -0.0100257 0.0574147 -0.0052030 4.0584616 -0.6366196 0.0639332 -0.6447387 3.7593662 11 La 4.0653734 -0.0800586 0.0791263 -0.0700664 3.9008269 -0.2277987 0.0361820 -0.3803877 3.8307844 12 La 4.4121347 -0.0839720 -0.0078834 -0.0782693 4.0215783 0.3161072 0.0476776 0.5067215 3.3829969 13 La 4.0653734 0.0800586 0.0791263 0.0700664 3.9008269 0.2277987 0.0361820 0.3803877 3.8307844 14 La 4.4121347 0.0839720 -0.0078834 0.0782693 4.0215783 -0.3161072 0.0476776 -0.5067215 3.3829969 15 La 4.5668067 0.0404172 0.0255860 0.0364703 3.9947196 -0.7191173 0.0203387 -0.7716139 3.4991099 16 La 4.5668067 -0.0404172 0.0255860 -0.0364703 3.9947196 0.7191173 0.0203387 0.7716139 3.4991099 17 Al 2.1410746 -0.1499528 -0.0123705 -0.2860818 2.6018204 0.3555264 0.0142025 0.3605133 2.8480814 18 Al 2.1349888 -0.1481739 0.0338703 -0.2777398 2.5976475 -0.2849896 -0.0185483 -0.3786020 2.9138035 19 Al 2.1410746 0.1499528 -0.0123705 0.2860818 2.6018204 -0.3555264 0.0142025 -0.3605133 2.8480814 20 Al 2.1349888 0.1481739 0.0338703 0.2777398 2.5976475 0.2849896 -0.0185483 0.3786020 2.9138035 21 Al 2.1349888 0.1481739 0.0338703 0.2777398 2.5976475 0.2849896 -0.0185483 0.3786020 2.9138035 22 Al 2.1410746 0.1499528 -0.0123705 0.2860818 2.6018204 -0.3555264 0.0142025 -0.3605133 2.8480814 23 Al 2.1349888 -0.1481739 0.0338703 -0.2777398 2.5976475 -0.2849896 -0.0185483 -0.3786020 2.9138035 24 Al 2.1410746 -0.1499528 -0.0123705 -0.2860818 2.6018204 0.3555264 0.0142025 0.3605133 2.8480814 25 O -2.1109400 0.3004726 -0.2996850 0.2556701 -2.2527917 0.0086593 -0.2636147 -0.1105121 -2.4073240 26 O -2.6985114 0.0723750 -0.0224827 0.0297924 -2.3044173 0.2611639 -0.0699003 0.0507865 -2.7641584 27 O -2.1109400 -0.3004726 -0.2996850 -0.2556701 -2.2527917 -0.0086593 -0.2636147 0.1105121 -2.4073240 28 O -2.3634629 -0.4110804 -0.2714431 -0.3156203 -2.4479390 0.0361755 -0.2052812 0.1430016 -1.9883669 29 O -2.3815189 -0.3631097 0.2290644 -0.2498228 -2.4831070 -0.2048680 0.1697513 -0.2874451 -2.0545769 30 O -2.6985114 -0.0723750 -0.0224827 -0.0297924 -2.3044173 -0.2611639 -0.0699003 -0.0507865 -2.7641584 31 O -2.3370104 0.0318507 -0.0458758 0.1298595 -2.6201079 -0.2476738 -0.0279709 -0.2724393 -1.7894442 32 O -2.3281838 0.0214404 0.0083866 0.1142014 -2.5658869 0.1971298 0.0068391 0.2348013 -1.8231020 33 O -2.3634629 0.4110804 -0.2714431 0.3156203 -2.4479390 -0.0361755 -0.2052812 -0.1430016 -1.9883669 34 O -2.3815189 0.3631097 0.2290644 0.2498228 -2.4831070 0.2048680 0.1697513 0.2874451 -2.0545769 35 O -2.0477286 0.2809558 0.2354860 0.2407413 -2.2080357 0.2019494 0.1833528 0.2584210 -2.6118741 36 O -2.3370104 -0.0318507 -0.0458758 -0.1298595 -2.6201079 0.2476738 -0.0279709 0.2724393 -1.7894442 37 O -2.3404049 0.0001016 -0.0114056 -0.0018884 -1.8737001 -0.1542259 0.0018642 -0.1799900 -2.0963762 38 O -2.3281838 -0.0214404 0.0083866 -0.1142014 -2.5658869 -0.1971298 0.0068391 -0.2348013 -1.8231020 39 O -2.7314264 -0.0847751 0.0022116 -0.0394269 -2.4190686 0.2200549 0.0411738 0.0496123 -2.6989196 40 O -2.7314264 0.0847751 0.0022116 0.0394269 -2.4190686 -0.2200549 0.0411738 -0.0496123 -2.6989196 41 O -2.3404049 -0.0001016 -0.0114056 0.0018884 -1.8737001 0.1542259 0.0018642 0.1799900 -2.0963762 42 O -2.0477286 -0.2809558 0.2354860 -0.2407413 -2.2080357 -0.2019494 0.1833528 -0.2584210 -2.6118741 43 O -2.0477286 -0.2809558 0.2354860 -0.2407413 -2.2080357 -0.2019494 0.1833528 -0.2584210 -2.6118741 44 O -2.3404049 -0.0001016 -0.0114056 0.0018884 -1.8737001 0.1542259 0.0018642 0.1799900 -2.0963762 45 O -2.7314264 0.0847751 0.0022116 0.0394269 -2.4190686 -0.2200549 0.0411738 -0.0496123 -2.6989196 46 O -2.7314264 -0.0847751 0.0022116 -0.0394269 -2.4190686 0.2200549 0.0411738 0.0496123 -2.6989196 47 O -2.3281838 -0.0214404 0.0083866 -0.1142014 -2.5658869 -0.1971298 0.0068391 -0.2348013 -1.8231020 48 O -2.3404049 0.0001016 -0.0114056 -0.0018884 -1.8737001 -0.1542259 0.0018642 -0.1799900 -2.0963762 49 O -2.3370104 -0.0318507 -0.0458758 -0.1298595 -2.6201079 0.2476738 -0.0279709 0.2724393 -1.7894442 50 O -2.0477286 0.2809558 0.2354860 0.2407413 -2.2080357 0.2019494 0.1833528 0.2584210 -2.6118741 51 O -2.3815189 0.3631097 0.2290644 0.2498228 -2.4831070 0.2048680 0.1697513 0.2874451 -2.0545769 52 O -2.3634629 0.4110804 -0.2714431 0.3156203 -2.4479390 -0.0361755 -0.2052812 -0.1430016 -1.9883669 53 O -2.3281838 0.0214404 0.0083866 0.1142014 -2.5658869 0.1971298 0.0068391 0.2348013 -1.8231020 54 O -2.3370104 0.0318507 -0.0458758 0.1298595 -2.6201079 -0.2476738 -0.0279709 -0.2724393 -1.7894442 55 O -2.6985114 -0.0723750 -0.0224827 -0.0297924 -2.3044173 -0.2611639 -0.0699003 -0.0507865 -2.7641584 56 O -2.3815189 -0.3631097 0.2290644 -0.2498228 -2.4831070 -0.2048680 0.1697513 -0.2874451 -2.0545769 57 O -2.3634629 -0.4110804 -0.2714431 -0.3156203 -2.4479390 0.0361755 -0.2052812 0.1430016 -1.9883669 58 O -2.1109400 -0.3004726 -0.2996850 -0.2556701 -2.2527917 -0.0086593 -0.2636147 0.1105121 -2.4073240 59 O -2.6985114 0.0723750 -0.0224827 0.0297924 -2.3044173 0.2611639 -0.0699003 0.0507865 -2.7641584 60 O -2.1109400 0.3004726 -0.2996850 0.2556701 -2.2527917 0.0086593 -0.2636147 -0.1105121 -2.4073240 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), 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, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), 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, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.445 Solver_block: 200 / 1840 - Time: 2.127 Solver_block: 300 / 1840 - Time: 2.126 Solver_block: 400 / 1840 - Time: 2.126 Solver_block: 500 / 1840 - Time: 2.134 Solver_block: 600 / 1840 - Time: 2.131 Solver_block: 700 / 1840 - Time: 2.126 Solver_block: 800 / 1840 - Time: 2.132 Solver_block: 900 / 1840 - Time: 2.128 Solver_block: 1000 / 1840 - Time: 2.138 Solver_block: 1100 / 1840 - Time: 2.128 Solver_block: 1200 / 1840 - Time: 2.128 Solver_block: 1300 / 1840 - Time: 2.126 Solver_block: 1400 / 1840 - Time: 2.129 Solver_block: 1500 / 1840 - Time: 2.128 Solver_block: 1600 / 1840 - Time: 2.125 Solver_block: 1700 / 1840 - Time: 2.123 Solver_block: 1800 / 1840 - Time: 2.121 Solver_block: 1840 / 1840 - Time: 1.070 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 40.695 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), 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, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), 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, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), 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 2026-01-09 03:50:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:50:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.886479980001466 0.000000000000000 0.000000000000000 b 0.000000000000000 11.014319549999998 0.000000000000000 c -3.845920380458049 0.000000000000000 10.723739254357666 Atomic positions (fractional): 1 La 0.02730557174987 0.08142825877828 0.81110355615491 138.905 2 La 0.02730557174987 0.41857174122172 0.31110355615491 138.905 3 La 0.16349566443089 0.87435760339521 0.58366569088327 138.905 4 La 0.33309455133267 0.37490627826705 0.92588612248386 138.905 5 La 0.16349566443089 0.62564239660479 0.08366569088327 138.905 6 La 0.33309455133267 0.12509372173295 0.42588612248386 138.905 7 La 0.47623280352268 0.59536011611799 0.70970742145363 138.905 8 La 0.52376719647732 0.09536011611799 0.79029257854637 138.905 9 La 0.47623280352268 0.90463988388201 0.20970742145363 138.905 10 La 0.52376719647732 0.40463988388201 0.29029257854637 138.905 11 La 0.66690544866733 0.87490627826705 0.57411387751614 138.905 12 La 0.83650433556911 0.37435760339521 0.91633430911673 138.905 13 La 0.66690544866733 0.62509372173295 0.07411387751614 138.905 14 La 0.83650433556911 0.12564239660479 0.41633430911674 138.905 15 La 0.97269442825013 0.58142825877828 0.68889644384509 138.905 16 La 0.97269442825013 0.91857174122172 0.18889644384509 138.905 17 Al 0.22652792174407 0.30453183407629 0.63087065168800 26.982 18 Al 0.34890734651233 0.80665740971153 0.87788570141396 26.982 19 Al 0.22652792174407 0.19546816592371 0.13087065168800 26.982 20 Al 0.34890734651233 0.69334259028847 0.37788570141396 26.982 21 Al 0.65109265348767 0.30665740971153 0.62211429858604 26.982 22 Al 0.77347207825593 0.80453183407629 0.86912934831200 26.982 23 Al 0.65109265348767 0.19334259028847 0.12211429858604 26.982 24 Al 0.77347207825593 0.69546816592371 0.36912934831200 26.982 25 O 0.08295342845008 0.23282299220796 0.98099147632763 15.999 26 O 0.07512608019205 0.50050686656136 0.89434354773658 15.999 27 O 0.08295342845008 0.26717700779204 0.48099147632763 15.999 28 O 0.21819378875073 0.71526317710274 0.75213319889009 15.999 29 O 0.23102434074306 0.21671018716613 0.76254531566195 15.999 30 O 0.07512608019205 0.99949313343864 0.39434354773658 15.999 31 O 0.22243572251108 0.45694758559641 0.67578855990631 15.999 32 O 0.29612993585306 0.95678683516633 0.82308704892407 15.999 33 O 0.21819378875073 0.78473682289726 0.25213319889009 15.999 34 O 0.23102434074306 0.28328981283387 0.26254531566195 15.999 35 O 0.36230230603647 0.72789949565520 0.53137483860225 15.999 36 O 0.22243572251108 0.04305241440359 0.17578855990631 15.999 37 O 0.43598877881621 0.25827392201823 0.62076685456548 15.999 38 O 0.29612993585306 0.54321316483367 0.32308704892407 15.999 39 O 0.57081874622590 0.49175365468813 0.89907698633665 15.999 40 O 0.42918125377410 0.99175365468813 0.60092301366335 15.999 41 O 0.56401122118379 0.75827392201823 0.87923314543452 15.999 42 O 0.63769769396353 0.22789949565520 0.96862516139775 15.999 43 O 0.36230230603647 0.77210050434480 0.03137483860225 15.999 44 O 0.43598877881621 0.24172607798177 0.12076685456548 15.999 45 O 0.57081874622590 0.00824634531187 0.39907698633665 15.999 46 O 0.42918125377410 0.50824634531187 0.10092301366335 15.999 47 O 0.70387006414694 0.45678683516633 0.67691295107593 15.999 48 O 0.56401122118379 0.74172607798177 0.37923314543452 15.999 49 O 0.77756427748892 0.95694758559641 0.82421144009369 15.999 50 O 0.63769769396353 0.27210050434480 0.46862516139775 15.999 51 O 0.76897565925694 0.71671018716613 0.73745468433805 15.999 52 O 0.78180621124927 0.21526317710274 0.74786680110991 15.999 53 O 0.70387006414694 0.04321316483367 0.17691295107593 15.999 54 O 0.77756427748892 0.54305241440359 0.32421144009369 15.999 55 O 0.92487391980795 0.00050686656136 0.60565645226342 15.999 56 O 0.76897565925694 0.78328981283387 0.23745468433805 15.999 57 O 0.78180621124927 0.28473682289726 0.24786680110991 15.999 58 O 0.91704657154992 0.73282299220796 0.51900852367237 15.999 59 O 0.92487391980795 0.49949313343864 0.10565645226342 15.999 60 O 0.91704657154992 0.76717700779204 0.01900852367237 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.772959960002932 0.000000000000000 0.000000000000000 b 0.000000000000000 11.014319549999998 0.000000000000000 c -3.845920380458049 0.000000000000000 10.723739254357666 Atomic positions (fractional): 1 La 0.01365278587493 0.08142825877828 0.81110355615491 138.905 > 1 2 La 0.51365278587493 0.08142825877828 0.81110355615491 138.905 > 1 3 La 0.01365278587493 0.41857174122172 0.31110355615491 138.905 > 3 4 La 0.51365278587493 0.41857174122172 0.31110355615491 138.905 > 3 5 La 0.08174783221545 0.87435760339521 0.58366569088327 138.905 > 5 6 La 0.58174783221545 0.87435760339521 0.58366569088327 138.905 > 5 7 La 0.16654727566634 0.37490627826705 0.92588612248386 138.905 > 7 8 La 0.66654727566634 0.37490627826705 0.92588612248386 138.905 > 7 9 La 0.08174783221545 0.62564239660479 0.08366569088327 138.905 > 9 10 La 0.58174783221545 0.62564239660479 0.08366569088327 138.905 > 9 11 La 0.16654727566634 0.12509372173295 0.42588612248386 138.905 > 11 12 La 0.66654727566634 0.12509372173295 0.42588612248386 138.905 > 11 13 La 0.23811640176134 0.59536011611799 0.70970742145363 138.905 > 13 14 La 0.73811640176134 0.59536011611799 0.70970742145363 138.905 > 13 15 La 0.26188359823866 0.09536011611799 0.79029257854637 138.905 > 15 16 La 0.76188359823866 0.09536011611799 0.79029257854637 138.905 > 15 17 La 0.23811640176134 0.90463988388201 0.20970742145363 138.905 > 17 18 La 0.73811640176134 0.90463988388201 0.20970742145363 138.905 > 17 19 La 0.26188359823866 0.40463988388201 0.29029257854637 138.905 > 19 20 La 0.76188359823866 0.40463988388201 0.29029257854637 138.905 > 19 21 La 0.33345272433366 0.87490627826705 0.57411387751614 138.905 > 21 22 La 0.83345272433366 0.87490627826705 0.57411387751614 138.905 > 21 23 La 0.41825216778455 0.37435760339521 0.91633430911673 138.905 > 23 24 La 0.91825216778455 0.37435760339521 0.91633430911673 138.905 > 23 25 La 0.33345272433366 0.62509372173295 0.07411387751614 138.905 > 25 26 La 0.83345272433366 0.62509372173295 0.07411387751614 138.905 > 25 27 La 0.41825216778455 0.12564239660479 0.41633430911674 138.905 > 27 28 La 0.91825216778455 0.12564239660479 0.41633430911674 138.905 > 27 29 La 0.48634721412507 0.58142825877828 0.68889644384509 138.905 > 29 30 La 0.98634721412507 0.58142825877828 0.68889644384509 138.905 > 29 31 La 0.48634721412507 0.91857174122172 0.18889644384509 138.905 > 31 32 La 0.98634721412507 0.91857174122172 0.18889644384509 138.905 > 31 33 Al 0.11326396087203 0.30453183407629 0.63087065168800 26.982 > 33 34 Al 0.61326396087203 0.30453183407629 0.63087065168800 26.982 > 33 35 Al 0.17445367325617 0.80665740971153 0.87788570141396 26.982 > 35 36 Al 0.67445367325617 0.80665740971153 0.87788570141396 26.982 > 35 37 Al 0.11326396087203 0.19546816592371 0.13087065168800 26.982 > 37 38 Al 0.61326396087203 0.19546816592371 0.13087065168800 26.982 > 37 39 Al 0.17445367325617 0.69334259028847 0.37788570141396 26.982 > 39 40 Al 0.67445367325617 0.69334259028847 0.37788570141396 26.982 > 39 41 Al 0.32554632674383 0.30665740971153 0.62211429858604 26.982 > 41 42 Al 0.82554632674383 0.30665740971153 0.62211429858604 26.982 > 41 43 Al 0.38673603912797 0.80453183407629 0.86912934831200 26.982 > 43 44 Al 0.88673603912797 0.80453183407629 0.86912934831200 26.982 > 43 45 Al 0.32554632674383 0.19334259028847 0.12211429858604 26.982 > 45 46 Al 0.82554632674383 0.19334259028847 0.12211429858604 26.982 > 45 47 Al 0.38673603912797 0.69546816592371 0.36912934831200 26.982 > 47 48 Al 0.88673603912797 0.69546816592371 0.36912934831200 26.982 > 47 49 O 0.04147671422504 0.23282299220796 0.98099147632763 15.999 > 49 50 O 0.54147671422504 0.23282299220796 0.98099147632763 15.999 > 49 51 O 0.03756304009602 0.50050686656136 0.89434354773658 15.999 > 51 52 O 0.53756304009602 0.50050686656136 0.89434354773658 15.999 > 51 53 O 0.04147671422504 0.26717700779204 0.48099147632763 15.999 > 53 54 O 0.54147671422504 0.26717700779204 0.48099147632763 15.999 > 53 55 O 0.10909689437537 0.71526317710274 0.75213319889009 15.999 > 55 56 O 0.60909689437537 0.71526317710274 0.75213319889009 15.999 > 55 57 O 0.11551217037153 0.21671018716613 0.76254531566195 15.999 > 57 58 O 0.61551217037153 0.21671018716613 0.76254531566195 15.999 > 57 59 O 0.03756304009602 0.99949313343864 0.39434354773658 15.999 > 59 60 O 0.53756304009602 0.99949313343864 0.39434354773658 15.999 > 59 61 O 0.11121786125554 0.45694758559641 0.67578855990631 15.999 > 61 62 O 0.61121786125554 0.45694758559641 0.67578855990631 15.999 > 61 63 O 0.14806496792653 0.95678683516633 0.82308704892407 15.999 > 63 64 O 0.64806496792653 0.95678683516633 0.82308704892407 15.999 > 63 65 O 0.10909689437537 0.78473682289726 0.25213319889009 15.999 > 65 66 O 0.60909689437537 0.78473682289726 0.25213319889009 15.999 > 65 67 O 0.11551217037153 0.28328981283387 0.26254531566195 15.999 > 67 68 O 0.61551217037153 0.28328981283387 0.26254531566195 15.999 > 67 69 O 0.18115115301824 0.72789949565520 0.53137483860225 15.999 > 69 70 O 0.68115115301824 0.72789949565520 0.53137483860225 15.999 > 69 71 O 0.11121786125554 0.04305241440359 0.17578855990631 15.999 > 71 72 O 0.61121786125554 0.04305241440359 0.17578855990631 15.999 > 71 73 O 0.21799438940811 0.25827392201823 0.62076685456548 15.999 > 73 74 O 0.71799438940811 0.25827392201823 0.62076685456548 15.999 > 73 75 O 0.14806496792653 0.54321316483367 0.32308704892407 15.999 > 75 76 O 0.64806496792653 0.54321316483367 0.32308704892407 15.999 > 75 77 O 0.28540937311295 0.49175365468813 0.89907698633665 15.999 > 77 78 O 0.78540937311295 0.49175365468813 0.89907698633665 15.999 > 77 79 O 0.21459062688705 0.99175365468813 0.60092301366335 15.999 > 79 80 O 0.71459062688705 0.99175365468813 0.60092301366335 15.999 > 79 81 O 0.28200561059189 0.75827392201823 0.87923314543452 15.999 > 81 82 O 0.78200561059189 0.75827392201823 0.87923314543452 15.999 > 81 83 O 0.31884884698176 0.22789949565520 0.96862516139775 15.999 > 83 84 O 0.81884884698176 0.22789949565520 0.96862516139775 15.999 > 83 85 O 0.18115115301824 0.77210050434480 0.03137483860225 15.999 > 85 86 O 0.68115115301824 0.77210050434480 0.03137483860225 15.999 > 85 87 O 0.21799438940811 0.24172607798177 0.12076685456548 15.999 > 87 88 O 0.71799438940811 0.24172607798177 0.12076685456548 15.999 > 87 89 O 0.28540937311295 0.00824634531187 0.39907698633665 15.999 > 89 90 O 0.78540937311295 0.00824634531187 0.39907698633665 15.999 > 89 91 O 0.21459062688705 0.50824634531187 0.10092301366335 15.999 > 91 92 O 0.71459062688705 0.50824634531187 0.10092301366335 15.999 > 91 93 O 0.35193503207347 0.45678683516633 0.67691295107593 15.999 > 93 94 O 0.85193503207347 0.45678683516633 0.67691295107593 15.999 > 93 95 O 0.28200561059189 0.74172607798177 0.37923314543452 15.999 > 95 96 O 0.78200561059189 0.74172607798177 0.37923314543452 15.999 > 95 97 O 0.38878213874446 0.95694758559641 0.82421144009369 15.999 > 97 98 O 0.88878213874446 0.95694758559641 0.82421144009369 15.999 > 97 99 O 0.31884884698176 0.27210050434480 0.46862516139775 15.999 > 99 100 O 0.81884884698176 0.27210050434480 0.46862516139775 15.999 > 99 101 O 0.38448782962847 0.71671018716613 0.73745468433805 15.999 > 101 102 O 0.88448782962847 0.71671018716613 0.73745468433805 15.999 > 101 103 O 0.39090310562463 0.21526317710274 0.74786680110991 15.999 > 103 104 O 0.89090310562463 0.21526317710274 0.74786680110991 15.999 > 103 105 O 0.35193503207347 0.04321316483367 0.17691295107593 15.999 > 105 106 O 0.85193503207347 0.04321316483367 0.17691295107593 15.999 > 105 107 O 0.38878213874446 0.54305241440359 0.32421144009369 15.999 > 107 108 O 0.88878213874446 0.54305241440359 0.32421144009369 15.999 > 107 109 O 0.46243695990398 0.00050686656136 0.60565645226342 15.999 > 109 110 O 0.96243695990398 0.00050686656136 0.60565645226342 15.999 > 109 111 O 0.38448782962847 0.78328981283387 0.23745468433805 15.999 > 111 112 O 0.88448782962847 0.78328981283387 0.23745468433805 15.999 > 111 113 O 0.39090310562463 0.28473682289726 0.24786680110991 15.999 > 113 114 O 0.89090310562463 0.28473682289726 0.24786680110991 15.999 > 113 115 O 0.45852328577496 0.73282299220796 0.51900852367237 15.999 > 115 116 O 0.95852328577496 0.73282299220796 0.51900852367237 15.999 > 115 117 O 0.46243695990398 0.49949313343864 0.10565645226342 15.999 > 117 118 O 0.96243695990398 0.49949313343864 0.10565645226342 15.999 > 117 119 O 0.45852328577496 0.76717700779204 0.01900852367237 15.999 > 119 120 O 0.95852328577496 0.76717700779204 0.01900852367237 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9302938 0.0000000 0.0191595 0.0000000 3.8740807 0.0000000 0.0191653 0.0000000 3.7917745 -------------------------- Born effective charges -------------------------- 1 La 4.5668067 -0.0404172 0.0255860 -0.0364703 3.9947196 0.7191173 0.0203387 0.7716139 3.4991099 2 La 4.5668067 0.0404172 0.0255860 0.0364703 3.9947196 -0.7191173 0.0203387 -0.7716139 3.4991099 3 La 4.4121347 0.0839720 -0.0078834 0.0782693 4.0215783 -0.3161072 0.0476776 -0.5067215 3.3829969 4 La 4.0653734 0.0800586 0.0791263 0.0700664 3.9008269 0.2277987 0.0361820 0.3803877 3.8307844 5 La 4.4121347 -0.0839720 -0.0078834 -0.0782693 4.0215783 0.3161072 0.0476776 0.5067215 3.3829969 6 La 4.0653734 -0.0800586 0.0791263 -0.0700664 3.9008269 -0.2277987 0.0361820 -0.3803877 3.8307844 7 La 4.0188090 -0.0100257 0.0574147 -0.0052030 4.0584616 -0.6366196 0.0639332 -0.6447387 3.7593662 8 La 4.0188090 0.0100257 0.0574147 0.0052030 4.0584616 0.6366196 0.0639332 0.6447387 3.7593662 9 La 4.0188090 0.0100257 0.0574147 0.0052030 4.0584616 0.6366196 0.0639332 0.6447387 3.7593662 10 La 4.0188090 -0.0100257 0.0574147 -0.0052030 4.0584616 -0.6366196 0.0639332 -0.6447387 3.7593662 11 La 4.0653734 -0.0800586 0.0791263 -0.0700664 3.9008269 -0.2277987 0.0361820 -0.3803877 3.8307844 12 La 4.4121347 -0.0839720 -0.0078834 -0.0782693 4.0215783 0.3161072 0.0476776 0.5067215 3.3829969 13 La 4.0653734 0.0800586 0.0791263 0.0700664 3.9008269 0.2277987 0.0361820 0.3803877 3.8307844 14 La 4.4121347 0.0839720 -0.0078834 0.0782693 4.0215783 -0.3161072 0.0476776 -0.5067215 3.3829969 15 La 4.5668067 0.0404172 0.0255860 0.0364703 3.9947196 -0.7191173 0.0203387 -0.7716139 3.4991099 16 La 4.5668067 -0.0404172 0.0255860 -0.0364703 3.9947196 0.7191173 0.0203387 0.7716139 3.4991099 17 Al 2.1410746 -0.1499528 -0.0123705 -0.2860818 2.6018204 0.3555264 0.0142025 0.3605133 2.8480814 18 Al 2.1349888 -0.1481739 0.0338703 -0.2777398 2.5976475 -0.2849896 -0.0185483 -0.3786020 2.9138035 19 Al 2.1410746 0.1499528 -0.0123705 0.2860818 2.6018204 -0.3555264 0.0142025 -0.3605133 2.8480814 20 Al 2.1349888 0.1481739 0.0338703 0.2777398 2.5976475 0.2849896 -0.0185483 0.3786020 2.9138035 21 Al 2.1349888 0.1481739 0.0338703 0.2777398 2.5976475 0.2849896 -0.0185483 0.3786020 2.9138035 22 Al 2.1410746 0.1499528 -0.0123705 0.2860818 2.6018204 -0.3555264 0.0142025 -0.3605133 2.8480814 23 Al 2.1349888 -0.1481739 0.0338703 -0.2777398 2.5976475 -0.2849896 -0.0185483 -0.3786020 2.9138035 24 Al 2.1410746 -0.1499528 -0.0123705 -0.2860818 2.6018204 0.3555264 0.0142025 0.3605133 2.8480814 25 O -2.1109400 0.3004726 -0.2996850 0.2556701 -2.2527917 0.0086593 -0.2636147 -0.1105121 -2.4073240 26 O -2.6985114 0.0723750 -0.0224827 0.0297924 -2.3044173 0.2611639 -0.0699003 0.0507865 -2.7641584 27 O -2.1109400 -0.3004726 -0.2996850 -0.2556701 -2.2527917 -0.0086593 -0.2636147 0.1105121 -2.4073240 28 O -2.3634629 -0.4110804 -0.2714431 -0.3156203 -2.4479390 0.0361755 -0.2052812 0.1430016 -1.9883669 29 O -2.3815189 -0.3631097 0.2290644 -0.2498228 -2.4831070 -0.2048680 0.1697513 -0.2874451 -2.0545769 30 O -2.6985114 -0.0723750 -0.0224827 -0.0297924 -2.3044173 -0.2611639 -0.0699003 -0.0507865 -2.7641584 31 O -2.3370104 0.0318507 -0.0458758 0.1298595 -2.6201079 -0.2476738 -0.0279709 -0.2724393 -1.7894442 32 O -2.3281838 0.0214404 0.0083866 0.1142014 -2.5658869 0.1971298 0.0068391 0.2348013 -1.8231020 33 O -2.3634629 0.4110804 -0.2714431 0.3156203 -2.4479390 -0.0361755 -0.2052812 -0.1430016 -1.9883669 34 O -2.3815189 0.3631097 0.2290644 0.2498228 -2.4831070 0.2048680 0.1697513 0.2874451 -2.0545769 35 O -2.0477286 0.2809558 0.2354860 0.2407413 -2.2080357 0.2019494 0.1833528 0.2584210 -2.6118741 36 O -2.3370104 -0.0318507 -0.0458758 -0.1298595 -2.6201079 0.2476738 -0.0279709 0.2724393 -1.7894442 37 O -2.3404049 0.0001016 -0.0114056 -0.0018884 -1.8737001 -0.1542259 0.0018642 -0.1799900 -2.0963762 38 O -2.3281838 -0.0214404 0.0083866 -0.1142014 -2.5658869 -0.1971298 0.0068391 -0.2348013 -1.8231020 39 O -2.7314264 -0.0847751 0.0022116 -0.0394269 -2.4190686 0.2200549 0.0411738 0.0496123 -2.6989196 40 O -2.7314264 0.0847751 0.0022116 0.0394269 -2.4190686 -0.2200549 0.0411738 -0.0496123 -2.6989196 41 O -2.3404049 -0.0001016 -0.0114056 0.0018884 -1.8737001 0.1542259 0.0018642 0.1799900 -2.0963762 42 O -2.0477286 -0.2809558 0.2354860 -0.2407413 -2.2080357 -0.2019494 0.1833528 -0.2584210 -2.6118741 43 O -2.0477286 -0.2809558 0.2354860 -0.2407413 -2.2080357 -0.2019494 0.1833528 -0.2584210 -2.6118741 44 O -2.3404049 -0.0001016 -0.0114056 0.0018884 -1.8737001 0.1542259 0.0018642 0.1799900 -2.0963762 45 O -2.7314264 0.0847751 0.0022116 0.0394269 -2.4190686 -0.2200549 0.0411738 -0.0496123 -2.6989196 46 O -2.7314264 -0.0847751 0.0022116 -0.0394269 -2.4190686 0.2200549 0.0411738 0.0496123 -2.6989196 47 O -2.3281838 -0.0214404 0.0083866 -0.1142014 -2.5658869 -0.1971298 0.0068391 -0.2348013 -1.8231020 48 O -2.3404049 0.0001016 -0.0114056 -0.0018884 -1.8737001 -0.1542259 0.0018642 -0.1799900 -2.0963762 49 O -2.3370104 -0.0318507 -0.0458758 -0.1298595 -2.6201079 0.2476738 -0.0279709 0.2724393 -1.7894442 50 O -2.0477286 0.2809558 0.2354860 0.2407413 -2.2080357 0.2019494 0.1833528 0.2584210 -2.6118741 51 O -2.3815189 0.3631097 0.2290644 0.2498228 -2.4831070 0.2048680 0.1697513 0.2874451 -2.0545769 52 O -2.3634629 0.4110804 -0.2714431 0.3156203 -2.4479390 -0.0361755 -0.2052812 -0.1430016 -1.9883669 53 O -2.3281838 0.0214404 0.0083866 0.1142014 -2.5658869 0.1971298 0.0068391 0.2348013 -1.8231020 54 O -2.3370104 0.0318507 -0.0458758 0.1298595 -2.6201079 -0.2476738 -0.0279709 -0.2724393 -1.7894442 55 O -2.6985114 -0.0723750 -0.0224827 -0.0297924 -2.3044173 -0.2611639 -0.0699003 -0.0507865 -2.7641584 56 O -2.3815189 -0.3631097 0.2290644 -0.2498228 -2.4831070 -0.2048680 0.1697513 -0.2874451 -2.0545769 57 O -2.3634629 -0.4110804 -0.2714431 -0.3156203 -2.4479390 0.0361755 -0.2052812 0.1430016 -1.9883669 58 O -2.1109400 -0.3004726 -0.2996850 -0.2556701 -2.2527917 -0.0086593 -0.2636147 0.1105121 -2.4073240 59 O -2.6985114 0.0723750 -0.0224827 0.0297924 -2.3044173 0.2611639 -0.0699003 0.0507865 -2.7641584 60 O -2.1109400 0.3004726 -0.2996850 0.2556701 -2.2527917 0.0086593 -0.2636147 -0.1105121 -2.4073240 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 7, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 13, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 35, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 51, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 55, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 63, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:51:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:51:30]------------------------- 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 7.886479980001466 0.000000000000000 0.000000000000000 b 0.000000000000000 11.014319549999998 0.000000000000000 c -3.845920380458049 0.000000000000000 10.723739254357666 Atomic positions (fractional): 1 La 0.02730557174987 0.08142825877828 0.81110355615491 138.905 2 La 0.02730557174987 0.41857174122172 0.31110355615491 138.905 3 La 0.16349566443089 0.87435760339521 0.58366569088327 138.905 4 La 0.33309455133267 0.37490627826705 0.92588612248386 138.905 5 La 0.16349566443089 0.62564239660479 0.08366569088327 138.905 6 La 0.33309455133267 0.12509372173295 0.42588612248386 138.905 7 La 0.47623280352268 0.59536011611799 0.70970742145363 138.905 8 La 0.52376719647732 0.09536011611799 0.79029257854637 138.905 9 La 0.47623280352268 0.90463988388201 0.20970742145363 138.905 10 La 0.52376719647732 0.40463988388201 0.29029257854637 138.905 11 La 0.66690544866733 0.87490627826705 0.57411387751614 138.905 12 La 0.83650433556911 0.37435760339521 0.91633430911673 138.905 13 La 0.66690544866733 0.62509372173295 0.07411387751614 138.905 14 La 0.83650433556911 0.12564239660479 0.41633430911674 138.905 15 La 0.97269442825013 0.58142825877828 0.68889644384509 138.905 16 La 0.97269442825013 0.91857174122172 0.18889644384509 138.905 17 Al 0.22652792174407 0.30453183407629 0.63087065168800 26.982 18 Al 0.34890734651233 0.80665740971153 0.87788570141396 26.982 19 Al 0.22652792174407 0.19546816592371 0.13087065168800 26.982 20 Al 0.34890734651233 0.69334259028847 0.37788570141396 26.982 21 Al 0.65109265348767 0.30665740971153 0.62211429858604 26.982 22 Al 0.77347207825593 0.80453183407629 0.86912934831200 26.982 23 Al 0.65109265348767 0.19334259028847 0.12211429858604 26.982 24 Al 0.77347207825593 0.69546816592371 0.36912934831200 26.982 25 O 0.08295342845008 0.23282299220796 0.98099147632763 15.999 26 O 0.07512608019205 0.50050686656136 0.89434354773658 15.999 27 O 0.08295342845008 0.26717700779204 0.48099147632763 15.999 28 O 0.21819378875073 0.71526317710274 0.75213319889009 15.999 29 O 0.23102434074306 0.21671018716613 0.76254531566195 15.999 30 O 0.07512608019205 0.99949313343864 0.39434354773658 15.999 31 O 0.22243572251108 0.45694758559641 0.67578855990631 15.999 32 O 0.29612993585306 0.95678683516633 0.82308704892407 15.999 33 O 0.21819378875073 0.78473682289726 0.25213319889009 15.999 34 O 0.23102434074306 0.28328981283387 0.26254531566195 15.999 35 O 0.36230230603647 0.72789949565520 0.53137483860225 15.999 36 O 0.22243572251108 0.04305241440359 0.17578855990631 15.999 37 O 0.43598877881621 0.25827392201823 0.62076685456548 15.999 38 O 0.29612993585306 0.54321316483367 0.32308704892407 15.999 39 O 0.57081874622590 0.49175365468813 0.89907698633665 15.999 40 O 0.42918125377410 0.99175365468813 0.60092301366335 15.999 41 O 0.56401122118379 0.75827392201823 0.87923314543452 15.999 42 O 0.63769769396353 0.22789949565520 0.96862516139775 15.999 43 O 0.36230230603647 0.77210050434480 0.03137483860225 15.999 44 O 0.43598877881621 0.24172607798177 0.12076685456548 15.999 45 O 0.57081874622590 0.00824634531187 0.39907698633665 15.999 46 O 0.42918125377410 0.50824634531187 0.10092301366335 15.999 47 O 0.70387006414694 0.45678683516633 0.67691295107593 15.999 48 O 0.56401122118379 0.74172607798177 0.37923314543452 15.999 49 O 0.77756427748892 0.95694758559641 0.82421144009369 15.999 50 O 0.63769769396353 0.27210050434480 0.46862516139775 15.999 51 O 0.76897565925694 0.71671018716613 0.73745468433805 15.999 52 O 0.78180621124927 0.21526317710274 0.74786680110991 15.999 53 O 0.70387006414694 0.04321316483367 0.17691295107593 15.999 54 O 0.77756427748892 0.54305241440359 0.32421144009369 15.999 55 O 0.92487391980795 0.00050686656136 0.60565645226342 15.999 56 O 0.76897565925694 0.78328981283387 0.23745468433805 15.999 57 O 0.78180621124927 0.28473682289726 0.24786680110991 15.999 58 O 0.91704657154992 0.73282299220796 0.51900852367237 15.999 59 O 0.92487391980795 0.49949313343864 0.10565645226342 15.999 60 O 0.91704657154992 0.76717700779204 0.01900852367237 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.772959960002932 0.000000000000000 0.000000000000000 b 0.000000000000000 11.014319549999998 0.000000000000000 c -3.845920380458049 0.000000000000000 10.723739254357666 Atomic positions (fractional): 1 La 0.01365278587493 0.08142825877828 0.81110355615491 138.905 > 1 2 La 0.51365278587493 0.08142825877828 0.81110355615491 138.905 > 1 3 La 0.01365278587493 0.41857174122172 0.31110355615491 138.905 > 3 4 La 0.51365278587493 0.41857174122172 0.31110355615491 138.905 > 3 5 La 0.08174783221545 0.87435760339521 0.58366569088327 138.905 > 5 6 La 0.58174783221545 0.87435760339521 0.58366569088327 138.905 > 5 7 La 0.16654727566634 0.37490627826705 0.92588612248386 138.905 > 7 8 La 0.66654727566634 0.37490627826705 0.92588612248386 138.905 > 7 9 La 0.08174783221545 0.62564239660479 0.08366569088327 138.905 > 9 10 La 0.58174783221545 0.62564239660479 0.08366569088327 138.905 > 9 11 La 0.16654727566634 0.12509372173295 0.42588612248386 138.905 > 11 12 La 0.66654727566634 0.12509372173295 0.42588612248386 138.905 > 11 13 La 0.23811640176134 0.59536011611799 0.70970742145363 138.905 > 13 14 La 0.73811640176134 0.59536011611799 0.70970742145363 138.905 > 13 15 La 0.26188359823866 0.09536011611799 0.79029257854637 138.905 > 15 16 La 0.76188359823866 0.09536011611799 0.79029257854637 138.905 > 15 17 La 0.23811640176134 0.90463988388201 0.20970742145363 138.905 > 17 18 La 0.73811640176134 0.90463988388201 0.20970742145363 138.905 > 17 19 La 0.26188359823866 0.40463988388201 0.29029257854637 138.905 > 19 20 La 0.76188359823866 0.40463988388201 0.29029257854637 138.905 > 19 21 La 0.33345272433366 0.87490627826705 0.57411387751614 138.905 > 21 22 La 0.83345272433366 0.87490627826705 0.57411387751614 138.905 > 21 23 La 0.41825216778455 0.37435760339521 0.91633430911673 138.905 > 23 24 La 0.91825216778455 0.37435760339521 0.91633430911673 138.905 > 23 25 La 0.33345272433366 0.62509372173295 0.07411387751614 138.905 > 25 26 La 0.83345272433366 0.62509372173295 0.07411387751614 138.905 > 25 27 La 0.41825216778455 0.12564239660479 0.41633430911674 138.905 > 27 28 La 0.91825216778455 0.12564239660479 0.41633430911674 138.905 > 27 29 La 0.48634721412507 0.58142825877828 0.68889644384509 138.905 > 29 30 La 0.98634721412507 0.58142825877828 0.68889644384509 138.905 > 29 31 La 0.48634721412507 0.91857174122172 0.18889644384509 138.905 > 31 32 La 0.98634721412507 0.91857174122172 0.18889644384509 138.905 > 31 33 Al 0.11326396087203 0.30453183407629 0.63087065168800 26.982 > 33 34 Al 0.61326396087203 0.30453183407629 0.63087065168800 26.982 > 33 35 Al 0.17445367325617 0.80665740971153 0.87788570141396 26.982 > 35 36 Al 0.67445367325617 0.80665740971153 0.87788570141396 26.982 > 35 37 Al 0.11326396087203 0.19546816592371 0.13087065168800 26.982 > 37 38 Al 0.61326396087203 0.19546816592371 0.13087065168800 26.982 > 37 39 Al 0.17445367325617 0.69334259028847 0.37788570141396 26.982 > 39 40 Al 0.67445367325617 0.69334259028847 0.37788570141396 26.982 > 39 41 Al 0.32554632674383 0.30665740971153 0.62211429858604 26.982 > 41 42 Al 0.82554632674383 0.30665740971153 0.62211429858604 26.982 > 41 43 Al 0.38673603912797 0.80453183407629 0.86912934831200 26.982 > 43 44 Al 0.88673603912797 0.80453183407629 0.86912934831200 26.982 > 43 45 Al 0.32554632674383 0.19334259028847 0.12211429858604 26.982 > 45 46 Al 0.82554632674383 0.19334259028847 0.12211429858604 26.982 > 45 47 Al 0.38673603912797 0.69546816592371 0.36912934831200 26.982 > 47 48 Al 0.88673603912797 0.69546816592371 0.36912934831200 26.982 > 47 49 O 0.04147671422504 0.23282299220796 0.98099147632763 15.999 > 49 50 O 0.54147671422504 0.23282299220796 0.98099147632763 15.999 > 49 51 O 0.03756304009602 0.50050686656136 0.89434354773658 15.999 > 51 52 O 0.53756304009602 0.50050686656136 0.89434354773658 15.999 > 51 53 O 0.04147671422504 0.26717700779204 0.48099147632763 15.999 > 53 54 O 0.54147671422504 0.26717700779204 0.48099147632763 15.999 > 53 55 O 0.10909689437537 0.71526317710274 0.75213319889009 15.999 > 55 56 O 0.60909689437537 0.71526317710274 0.75213319889009 15.999 > 55 57 O 0.11551217037153 0.21671018716613 0.76254531566195 15.999 > 57 58 O 0.61551217037153 0.21671018716613 0.76254531566195 15.999 > 57 59 O 0.03756304009602 0.99949313343864 0.39434354773658 15.999 > 59 60 O 0.53756304009602 0.99949313343864 0.39434354773658 15.999 > 59 61 O 0.11121786125554 0.45694758559641 0.67578855990631 15.999 > 61 62 O 0.61121786125554 0.45694758559641 0.67578855990631 15.999 > 61 63 O 0.14806496792653 0.95678683516633 0.82308704892407 15.999 > 63 64 O 0.64806496792653 0.95678683516633 0.82308704892407 15.999 > 63 65 O 0.10909689437537 0.78473682289726 0.25213319889009 15.999 > 65 66 O 0.60909689437537 0.78473682289726 0.25213319889009 15.999 > 65 67 O 0.11551217037153 0.28328981283387 0.26254531566195 15.999 > 67 68 O 0.61551217037153 0.28328981283387 0.26254531566195 15.999 > 67 69 O 0.18115115301824 0.72789949565520 0.53137483860225 15.999 > 69 70 O 0.68115115301824 0.72789949565520 0.53137483860225 15.999 > 69 71 O 0.11121786125554 0.04305241440359 0.17578855990631 15.999 > 71 72 O 0.61121786125554 0.04305241440359 0.17578855990631 15.999 > 71 73 O 0.21799438940811 0.25827392201823 0.62076685456548 15.999 > 73 74 O 0.71799438940811 0.25827392201823 0.62076685456548 15.999 > 73 75 O 0.14806496792653 0.54321316483367 0.32308704892407 15.999 > 75 76 O 0.64806496792653 0.54321316483367 0.32308704892407 15.999 > 75 77 O 0.28540937311295 0.49175365468813 0.89907698633665 15.999 > 77 78 O 0.78540937311295 0.49175365468813 0.89907698633665 15.999 > 77 79 O 0.21459062688705 0.99175365468813 0.60092301366335 15.999 > 79 80 O 0.71459062688705 0.99175365468813 0.60092301366335 15.999 > 79 81 O 0.28200561059189 0.75827392201823 0.87923314543452 15.999 > 81 82 O 0.78200561059189 0.75827392201823 0.87923314543452 15.999 > 81 83 O 0.31884884698176 0.22789949565520 0.96862516139775 15.999 > 83 84 O 0.81884884698176 0.22789949565520 0.96862516139775 15.999 > 83 85 O 0.18115115301824 0.77210050434480 0.03137483860225 15.999 > 85 86 O 0.68115115301824 0.77210050434480 0.03137483860225 15.999 > 85 87 O 0.21799438940811 0.24172607798177 0.12076685456548 15.999 > 87 88 O 0.71799438940811 0.24172607798177 0.12076685456548 15.999 > 87 89 O 0.28540937311295 0.00824634531187 0.39907698633665 15.999 > 89 90 O 0.78540937311295 0.00824634531187 0.39907698633665 15.999 > 89 91 O 0.21459062688705 0.50824634531187 0.10092301366335 15.999 > 91 92 O 0.71459062688705 0.50824634531187 0.10092301366335 15.999 > 91 93 O 0.35193503207347 0.45678683516633 0.67691295107593 15.999 > 93 94 O 0.85193503207347 0.45678683516633 0.67691295107593 15.999 > 93 95 O 0.28200561059189 0.74172607798177 0.37923314543452 15.999 > 95 96 O 0.78200561059189 0.74172607798177 0.37923314543452 15.999 > 95 97 O 0.38878213874446 0.95694758559641 0.82421144009369 15.999 > 97 98 O 0.88878213874446 0.95694758559641 0.82421144009369 15.999 > 97 99 O 0.31884884698176 0.27210050434480 0.46862516139775 15.999 > 99 100 O 0.81884884698176 0.27210050434480 0.46862516139775 15.999 > 99 101 O 0.38448782962847 0.71671018716613 0.73745468433805 15.999 > 101 102 O 0.88448782962847 0.71671018716613 0.73745468433805 15.999 > 101 103 O 0.39090310562463 0.21526317710274 0.74786680110991 15.999 > 103 104 O 0.89090310562463 0.21526317710274 0.74786680110991 15.999 > 103 105 O 0.35193503207347 0.04321316483367 0.17691295107593 15.999 > 105 106 O 0.85193503207347 0.04321316483367 0.17691295107593 15.999 > 105 107 O 0.38878213874446 0.54305241440359 0.32421144009369 15.999 > 107 108 O 0.88878213874446 0.54305241440359 0.32421144009369 15.999 > 107 109 O 0.46243695990398 0.00050686656136 0.60565645226342 15.999 > 109 110 O 0.96243695990398 0.00050686656136 0.60565645226342 15.999 > 109 111 O 0.38448782962847 0.78328981283387 0.23745468433805 15.999 > 111 112 O 0.88448782962847 0.78328981283387 0.23745468433805 15.999 > 111 113 O 0.39090310562463 0.28473682289726 0.24786680110991 15.999 > 113 114 O 0.89090310562463 0.28473682289726 0.24786680110991 15.999 > 113 115 O 0.45852328577496 0.73282299220796 0.51900852367237 15.999 > 115 116 O 0.95852328577496 0.73282299220796 0.51900852367237 15.999 > 115 117 O 0.46243695990398 0.49949313343864 0.10565645226342 15.999 > 117 118 O 0.96243695990398 0.49949313343864 0.10565645226342 15.999 > 117 119 O 0.45852328577496 0.76717700779204 0.01900852367237 15.999 > 119 120 O 0.95852328577496 0.76717700779204 0.01900852367237 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9302938 0.0000000 0.0191595 0.0000000 3.8740807 0.0000000 0.0191653 0.0000000 3.7917745 -------------------------- Born effective charges -------------------------- 1 La 4.5668067 -0.0404172 0.0255860 -0.0364703 3.9947196 0.7191173 0.0203387 0.7716139 3.4991099 2 La 4.5668067 0.0404172 0.0255860 0.0364703 3.9947196 -0.7191173 0.0203387 -0.7716139 3.4991099 3 La 4.4121347 0.0839720 -0.0078834 0.0782693 4.0215783 -0.3161072 0.0476776 -0.5067215 3.3829969 4 La 4.0653734 0.0800586 0.0791263 0.0700664 3.9008269 0.2277987 0.0361820 0.3803877 3.8307844 5 La 4.4121347 -0.0839720 -0.0078834 -0.0782693 4.0215783 0.3161072 0.0476776 0.5067215 3.3829969 6 La 4.0653734 -0.0800586 0.0791263 -0.0700664 3.9008269 -0.2277987 0.0361820 -0.3803877 3.8307844 7 La 4.0188090 -0.0100257 0.0574147 -0.0052030 4.0584616 -0.6366196 0.0639332 -0.6447387 3.7593662 8 La 4.0188090 0.0100257 0.0574147 0.0052030 4.0584616 0.6366196 0.0639332 0.6447387 3.7593662 9 La 4.0188090 0.0100257 0.0574147 0.0052030 4.0584616 0.6366196 0.0639332 0.6447387 3.7593662 10 La 4.0188090 -0.0100257 0.0574147 -0.0052030 4.0584616 -0.6366196 0.0639332 -0.6447387 3.7593662 11 La 4.0653734 -0.0800586 0.0791263 -0.0700664 3.9008269 -0.2277987 0.0361820 -0.3803877 3.8307844 12 La 4.4121347 -0.0839720 -0.0078834 -0.0782693 4.0215783 0.3161072 0.0476776 0.5067215 3.3829969 13 La 4.0653734 0.0800586 0.0791263 0.0700664 3.9008269 0.2277987 0.0361820 0.3803877 3.8307844 14 La 4.4121347 0.0839720 -0.0078834 0.0782693 4.0215783 -0.3161072 0.0476776 -0.5067215 3.3829969 15 La 4.5668067 0.0404172 0.0255860 0.0364703 3.9947196 -0.7191173 0.0203387 -0.7716139 3.4991099 16 La 4.5668067 -0.0404172 0.0255860 -0.0364703 3.9947196 0.7191173 0.0203387 0.7716139 3.4991099 17 Al 2.1410746 -0.1499528 -0.0123705 -0.2860818 2.6018204 0.3555264 0.0142025 0.3605133 2.8480814 18 Al 2.1349888 -0.1481739 0.0338703 -0.2777398 2.5976475 -0.2849896 -0.0185483 -0.3786020 2.9138035 19 Al 2.1410746 0.1499528 -0.0123705 0.2860818 2.6018204 -0.3555264 0.0142025 -0.3605133 2.8480814 20 Al 2.1349888 0.1481739 0.0338703 0.2777398 2.5976475 0.2849896 -0.0185483 0.3786020 2.9138035 21 Al 2.1349888 0.1481739 0.0338703 0.2777398 2.5976475 0.2849896 -0.0185483 0.3786020 2.9138035 22 Al 2.1410746 0.1499528 -0.0123705 0.2860818 2.6018204 -0.3555264 0.0142025 -0.3605133 2.8480814 23 Al 2.1349888 -0.1481739 0.0338703 -0.2777398 2.5976475 -0.2849896 -0.0185483 -0.3786020 2.9138035 24 Al 2.1410746 -0.1499528 -0.0123705 -0.2860818 2.6018204 0.3555264 0.0142025 0.3605133 2.8480814 25 O -2.1109400 0.3004726 -0.2996850 0.2556701 -2.2527917 0.0086593 -0.2636147 -0.1105121 -2.4073240 26 O -2.6985114 0.0723750 -0.0224827 0.0297924 -2.3044173 0.2611639 -0.0699003 0.0507865 -2.7641584 27 O -2.1109400 -0.3004726 -0.2996850 -0.2556701 -2.2527917 -0.0086593 -0.2636147 0.1105121 -2.4073240 28 O -2.3634629 -0.4110804 -0.2714431 -0.3156203 -2.4479390 0.0361755 -0.2052812 0.1430016 -1.9883669 29 O -2.3815189 -0.3631097 0.2290644 -0.2498228 -2.4831070 -0.2048680 0.1697513 -0.2874451 -2.0545769 30 O -2.6985114 -0.0723750 -0.0224827 -0.0297924 -2.3044173 -0.2611639 -0.0699003 -0.0507865 -2.7641584 31 O -2.3370104 0.0318507 -0.0458758 0.1298595 -2.6201079 -0.2476738 -0.0279709 -0.2724393 -1.7894442 32 O -2.3281838 0.0214404 0.0083866 0.1142014 -2.5658869 0.1971298 0.0068391 0.2348013 -1.8231020 33 O -2.3634629 0.4110804 -0.2714431 0.3156203 -2.4479390 -0.0361755 -0.2052812 -0.1430016 -1.9883669 34 O -2.3815189 0.3631097 0.2290644 0.2498228 -2.4831070 0.2048680 0.1697513 0.2874451 -2.0545769 35 O -2.0477286 0.2809558 0.2354860 0.2407413 -2.2080357 0.2019494 0.1833528 0.2584210 -2.6118741 36 O -2.3370104 -0.0318507 -0.0458758 -0.1298595 -2.6201079 0.2476738 -0.0279709 0.2724393 -1.7894442 37 O -2.3404049 0.0001016 -0.0114056 -0.0018884 -1.8737001 -0.1542259 0.0018642 -0.1799900 -2.0963762 38 O -2.3281838 -0.0214404 0.0083866 -0.1142014 -2.5658869 -0.1971298 0.0068391 -0.2348013 -1.8231020 39 O -2.7314264 -0.0847751 0.0022116 -0.0394269 -2.4190686 0.2200549 0.0411738 0.0496123 -2.6989196 40 O -2.7314264 0.0847751 0.0022116 0.0394269 -2.4190686 -0.2200549 0.0411738 -0.0496123 -2.6989196 41 O -2.3404049 -0.0001016 -0.0114056 0.0018884 -1.8737001 0.1542259 0.0018642 0.1799900 -2.0963762 42 O -2.0477286 -0.2809558 0.2354860 -0.2407413 -2.2080357 -0.2019494 0.1833528 -0.2584210 -2.6118741 43 O -2.0477286 -0.2809558 0.2354860 -0.2407413 -2.2080357 -0.2019494 0.1833528 -0.2584210 -2.6118741 44 O -2.3404049 -0.0001016 -0.0114056 0.0018884 -1.8737001 0.1542259 0.0018642 0.1799900 -2.0963762 45 O -2.7314264 0.0847751 0.0022116 0.0394269 -2.4190686 -0.2200549 0.0411738 -0.0496123 -2.6989196 46 O -2.7314264 -0.0847751 0.0022116 -0.0394269 -2.4190686 0.2200549 0.0411738 0.0496123 -2.6989196 47 O -2.3281838 -0.0214404 0.0083866 -0.1142014 -2.5658869 -0.1971298 0.0068391 -0.2348013 -1.8231020 48 O -2.3404049 0.0001016 -0.0114056 -0.0018884 -1.8737001 -0.1542259 0.0018642 -0.1799900 -2.0963762 49 O -2.3370104 -0.0318507 -0.0458758 -0.1298595 -2.6201079 0.2476738 -0.0279709 0.2724393 -1.7894442 50 O -2.0477286 0.2809558 0.2354860 0.2407413 -2.2080357 0.2019494 0.1833528 0.2584210 -2.6118741 51 O -2.3815189 0.3631097 0.2290644 0.2498228 -2.4831070 0.2048680 0.1697513 0.2874451 -2.0545769 52 O -2.3634629 0.4110804 -0.2714431 0.3156203 -2.4479390 -0.0361755 -0.2052812 -0.1430016 -1.9883669 53 O -2.3281838 0.0214404 0.0083866 0.1142014 -2.5658869 0.1971298 0.0068391 0.2348013 -1.8231020 54 O -2.3370104 0.0318507 -0.0458758 0.1298595 -2.6201079 -0.2476738 -0.0279709 -0.2724393 -1.7894442 55 O -2.6985114 -0.0723750 -0.0224827 -0.0297924 -2.3044173 -0.2611639 -0.0699003 -0.0507865 -2.7641584 56 O -2.3815189 -0.3631097 0.2290644 -0.2498228 -2.4831070 -0.2048680 0.1697513 -0.2874451 -2.0545769 57 O -2.3634629 -0.4110804 -0.2714431 -0.3156203 -2.4479390 0.0361755 -0.2052812 0.1430016 -1.9883669 58 O -2.1109400 -0.3004726 -0.2996850 -0.2556701 -2.2527917 -0.0086593 -0.2636147 0.1105121 -2.4073240 59 O -2.6985114 0.0723750 -0.0224827 0.0297924 -2.3044173 0.2611639 -0.0699003 0.0507865 -2.7641584 60 O -2.1109400 0.3004726 -0.2996850 0.2556701 -2.2527917 0.0086593 -0.2636147 -0.1105121 -2.4073240 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 ... [ 7 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: 0.43, Number of G-points: 311, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 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 2.136 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.239 ( 0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.354 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.204 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.425 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.617 ( 0.000 0.000 0.000) 0.000 5.896 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.076 ( 0.000 0.000 0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 6.374 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.687 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.233 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.608 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.218 ( 0.000 0.000 0.000) 0.000 8.314 ( 0.000 0.000 0.000) 0.000 8.371 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.553 ( 0.000 0.000 0.000) 0.000 8.622 ( 0.000 0.000 0.000) 0.000 8.653 ( 0.000 0.000 0.000) 0.000 8.871 ( 0.000 0.000 0.000) 0.000 8.898 ( 0.000 0.000 0.000) 0.000 8.907 ( 0.000 0.000 0.000) 0.000 8.960 ( 0.000 0.000 0.000) 0.000 8.971 ( 0.000 0.000 0.000) 0.000 9.021 ( 0.000 0.000 0.000) 0.000 9.051 ( 0.000 0.000 0.000) 0.000 9.115 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 9.222 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.452 ( 0.000 0.000 0.000) 0.000 9.484 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.769 ( 0.000 0.000 0.000) 0.000 9.831 ( 0.000 0.000 0.000) 0.000 10.251 ( 0.000 0.000 0.000) 0.000 10.317 ( 0.000 0.000 0.000) 0.000 10.412 ( 0.000 0.000 0.000) 0.000 10.556 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 10.630 ( 0.000 0.000 0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 10.808 ( 0.000 0.000 0.000) 0.000 10.850 ( 0.000 0.000 0.000) 0.000 11.035 ( 0.000 0.000 0.000) 0.000 11.146 ( 0.000 0.000 0.000) 0.000 11.211 ( 0.000 0.000 0.000) 0.000 11.460 ( 0.000 0.000 0.000) 0.000 11.548 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.652 ( 0.000 0.000 0.000) 0.000 11.684 ( 0.000 0.000 0.000) 0.000 11.729 ( 0.000 0.000 0.000) 0.000 11.948 ( 0.000 0.000 0.000) 0.000 11.974 ( 0.000 0.000 0.000) 0.000 12.158 ( 0.000 0.000 0.000) 0.000 12.179 ( 0.000 0.000 0.000) 0.000 12.193 ( 0.000 0.000 0.000) 0.000 12.286 ( 0.000 0.000 0.000) 0.000 12.758 ( 0.000 0.000 0.000) 0.000 12.887 ( 0.000 0.000 0.000) 0.000 12.934 ( 0.000 0.000 0.000) 0.000 13.090 ( 0.000 0.000 0.000) 0.000 13.105 ( 0.000 0.000 0.000) 0.000 13.321 ( 0.000 0.000 0.000) 0.000 13.498 ( 0.000 0.000 0.000) 0.000 13.552 ( 0.000 0.000 0.000) 0.000 13.585 ( 0.000 0.000 0.000) 0.000 14.212 ( 0.000 0.000 0.000) 0.000 14.476 ( 0.000 0.000 0.000) 0.000 14.502 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 0.000 0.000) 0.000 14.857 ( 0.000 0.000 0.000) 0.000 15.004 ( 0.000 0.000 0.000) 0.000 15.264 ( 0.000 0.000 0.000) 0.000 15.408 ( 0.000 0.000 0.000) 0.000 16.085 ( 0.000 0.000 0.000) 0.000 16.377 ( 0.000 0.000 0.000) 0.000 16.427 ( 0.000 0.000 0.000) 0.000 16.491 ( 0.000 0.000 0.000) 0.000 19.976 ( 0.000 0.000 0.000) 0.000 19.983 ( 0.000 0.000 0.000) 0.000 20.098 ( 0.000 0.000 0.000) 0.000 20.184 ( 0.000 0.000 0.000) 0.000 20.785 ( 0.000 0.000 0.000) 0.000 20.907 ( 0.000 0.000 0.000) 0.000 20.909 ( 0.000 0.000 0.000) 0.000 20.972 ( 0.000 0.000 0.000) 0.000 21.086 ( 0.000 0.000 0.000) 0.000 21.285 ( 0.000 0.000 0.000) 0.000 21.514 ( 0.000 0.000 0.000) 0.000 21.618 ( 0.000 0.000 0.000) 0.000 21.862 ( 0.000 0.000 0.000) 0.000 21.876 ( 0.000 0.000 0.000) 0.000 22.316 ( 0.000 0.000 0.000) 0.000 22.658 ( 0.000 0.000 0.000) 0.000 22.671 ( 0.000 0.000 0.000) 0.000 22.861 ( 0.000 0.000 0.000) 0.000 22.917 ( 0.000 0.000 0.000) 0.000 23.065 ( 0.000 0.000 0.000) 0.000 23.146 ( 0.000 0.000 0.000) 0.000 23.727 ( 0.000 0.000 0.000) 0.000 23.920 ( 0.000 0.000 0.000) 0.000 24.826 ( 0.000 0.000 0.000) 0.000 25.696 ( 0.000 0.000 0.000) 0.000 25.696 ( 0.000 0.000 0.000) 0.000 25.728 ( 0.000 0.000 0.000) 0.000 25.730 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 31.048 0.000 1.700) 31.094 0.647 ( 31.524 0.000 10.823) 33.330 1.168 ( 56.606 0.000 14.478) 58.428 2.065 ( -1.610 0.000 -14.676) 14.764 2.273 ( 1.897 0.000 9.680) 9.864 2.286 ( 3.316 0.000 6.889) 7.645 2.377 ( 4.738 0.000 -6.527) 8.065 2.381 ( 7.993 0.000 -6.699) 10.429 2.492 ( 3.268 0.000 4.087) 5.233 2.531 ( 2.784 0.000 -8.506) 8.950 2.654 ( 0.849 0.000 1.191) 1.463 2.700 ( 2.069 0.000 2.629) 3.345 2.731 ( -1.125 0.000 0.374) 1.186 2.741 ( 0.178 0.000 -2.281) 2.288 2.810 ( -3.245 0.000 0.701) 3.320 2.829 ( 6.380 0.000 0.530) 6.402 2.839 ( -1.381 0.000 -4.026) 4.256 2.891 ( 1.489 0.000 2.455) 2.871 3.062 ( -1.704 0.000 -4.004) 4.351 3.082 ( 2.904 0.000 -1.042) 3.085 3.106 ( -6.112 0.000 -3.849) 7.223 3.188 ( 1.598 0.000 0.133) 1.604 3.302 ( -3.364 0.000 -0.594) 3.416 3.326 ( -0.794 0.000 4.702) 4.768 3.333 ( 3.378 0.000 3.036) 4.542 3.446 ( 1.036 0.000 -2.651) 2.847 3.478 ( -0.165 0.000 -0.420) 0.452 3.516 ( -1.561 0.000 3.686) 4.003 3.623 ( 5.544 0.000 3.165) 6.384 3.647 ( 1.344 0.000 3.684) 3.921 3.684 ( 2.131 0.000 -11.520) 11.715 3.731 ( -1.474 0.000 -1.658) 2.218 3.809 ( -1.000 0.000 0.494) 1.115 3.934 ( -3.550 0.000 3.548) 5.019 3.948 ( 2.900 0.000 4.954) 5.740 4.009 ( 5.147 0.000 -2.622) 5.776 4.165 ( -4.709 0.000 -2.402) 5.286 4.174 ( -0.214 0.000 -3.563) 3.570 4.282 ( 0.818 0.000 -5.715) 5.774 4.350 ( 2.523 0.000 -0.889) 2.676 4.516 ( -3.771 0.000 7.092) 8.032 4.549 ( 3.522 0.000 -3.652) 5.074 4.637 ( -8.152 0.000 -1.614) 8.310 4.750 ( -5.106 0.000 -2.203) 5.561 4.773 ( 7.276 0.000 0.692) 7.309 4.804 ( 7.615 0.000 -7.895) 10.970 4.849 ( 7.260 0.000 3.891) 8.237 4.973 ( 2.351 0.000 -1.957) 3.059 5.050 ( -1.231 0.000 3.309) 3.531 5.078 ( 7.201 0.000 0.378) 7.211 5.239 ( -5.190 0.000 -7.297) 8.955 5.279 ( -7.447 0.000 -3.572) 8.260 5.358 ( 2.509 0.000 4.400) 5.064 5.495 ( -10.419 0.000 2.261) 10.662 5.553 ( -2.230 0.000 -7.917) 8.225 5.660 ( 2.669 0.000 12.524) 12.805 5.838 ( -5.416 0.000 -5.743) 7.894 5.853 ( -9.094 0.000 -0.034) 9.094 5.960 ( -2.440 0.000 -0.682) 2.533 5.981 ( -7.752 0.000 4.511) 8.969 6.055 ( -2.567 0.000 6.619) 7.099 6.070 ( -4.430 0.000 -0.120) 4.431 6.116 ( -3.292 0.000 9.121) 9.697 6.168 ( -4.106 0.000 -3.429) 5.349 6.278 ( -5.789 0.000 -5.201) 7.782 6.461 ( 5.620 0.000 -0.946) 5.699 6.473 ( -2.232 0.000 4.196) 4.752 6.557 ( -2.030 0.000 1.555) 2.557 6.664 ( -16.199 0.000 -1.470) 16.266 6.729 ( 4.574 0.000 -2.582) 5.252 6.742 ( 3.529 0.000 -5.374) 6.429 6.795 ( 0.985 0.000 -1.875) 2.117 6.992 ( 2.772 0.000 -4.258) 5.080 7.024 ( 1.858 0.000 -0.813) 2.028 7.195 ( -0.389 0.000 1.429) 1.481 7.201 ( 6.714 0.000 -2.760) 7.259 7.264 ( 2.237 0.000 -0.240) 2.250 7.302 ( -0.110 0.000 10.292) 10.292 7.494 ( 3.728 0.000 1.822) 4.150 7.570 ( -4.340 0.000 -1.386) 4.556 7.603 ( -1.668 0.000 3.336) 3.730 7.795 ( -1.843 0.000 0.943) 2.070 7.860 ( -8.261 0.000 -4.771) 9.540 7.933 ( -6.390 0.000 7.493) 9.848 8.245 ( -2.054 0.000 2.430) 3.182 8.370 ( 5.185 0.000 0.772) 5.242 8.452 ( 1.425 0.000 -7.393) 7.530 8.496 ( 7.898 0.000 -3.685) 8.715 8.516 ( 2.714 0.000 3.842) 4.704 8.623 ( 0.098 0.000 -0.473) 0.483 8.760 ( 3.278 0.000 5.734) 6.605 8.847 ( -3.368 0.000 -1.145) 3.557 8.870 ( -2.231 0.000 -1.230) 2.548 8.929 ( 1.511 0.000 0.036) 1.511 9.005 ( -4.458 0.000 0.371) 4.473 9.016 ( 2.728 0.000 -0.411) 2.759 9.084 ( 2.915 0.000 -9.040) 9.498 9.084 ( 4.877 0.000 2.351) 5.414 9.142 ( 2.596 0.000 -0.896) 2.746 9.205 ( -0.393 0.000 3.252) 3.276 9.276 ( 1.546 0.000 -1.785) 2.361 9.450 ( 1.018 0.000 1.190) 1.566 9.489 ( -0.236 0.000 6.344) 6.349 9.519 ( -2.587 0.000 -4.255) 4.980 9.749 ( -1.370 0.000 -3.324) 3.596 9.864 ( 3.888 0.000 -3.363) 5.141 10.175 ( -7.090 0.000 1.941) 7.351 10.212 ( -4.165 0.000 3.179) 5.240 10.300 ( -1.571 0.000 1.515) 2.182 10.333 ( -6.834 0.000 -2.057) 7.137 10.474 ( -7.602 0.000 -5.120) 9.165 10.627 ( 0.267 0.000 0.543) 0.606 10.657 ( 0.245 0.000 2.855) 2.866 10.659 ( -1.819 0.000 0.644) 1.929 10.817 ( 2.527 0.000 1.696) 3.044 10.862 ( -8.217 0.000 -1.475) 8.348 11.171 ( -5.123 0.000 3.382) 6.139 11.376 ( 11.179 0.000 1.324) 11.258 11.408 ( -8.411 0.000 -4.546) 9.561 11.517 ( 6.457 0.000 2.218) 6.827 11.628 ( 5.914 0.000 -13.162) 14.429 11.635 ( 9.320 0.000 5.509) 10.827 11.703 ( 5.710 0.000 -1.288) 5.853 11.948 ( 11.922 0.000 3.282) 12.366 12.013 ( 4.831 0.000 1.476) 5.052 12.026 ( 11.508 0.000 -1.689) 11.631 12.142 ( 1.091 0.000 -13.206) 13.251 12.175 ( 0.778 0.000 1.456) 1.651 12.187 ( 2.632 0.000 0.008) 2.632 12.316 ( 3.073 0.000 -3.736) 4.838 12.779 ( 1.636 0.000 2.924) 3.351 12.937 ( -0.481 0.000 3.516) 3.549 12.945 ( 1.019 0.000 16.494) 16.525 13.085 ( -0.468 0.000 -1.296) 1.378 13.163 ( 4.616 0.000 3.054) 5.535 13.258 ( -0.559 0.000 -7.078) 7.100 13.478 ( 0.997 0.000 -2.073) 2.300 13.609 ( 1.708 0.000 0.799) 1.886 13.680 ( 8.579 0.000 5.287) 10.077 14.179 ( 0.540 0.000 -6.973) 6.994 14.412 ( -5.927 0.000 -2.175) 6.313 14.423 ( 17.123 0.000 -57.902) 60.380 14.476 ( -2.888 0.000 0.395) 2.915 14.605 ( -0.013 0.000 -0.604) 0.604 14.900 ( -12.662 0.000 22.610) 25.915 15.021 ( -2.541 0.000 8.258) 8.640 15.254 ( -0.943 0.000 -0.404) 1.026 15.418 ( 0.189 0.000 1.887) 1.897 16.040 ( -7.073 0.000 2.447) 7.485 16.350 ( -2.809 0.000 0.047) 2.809 16.367 ( -5.902 0.000 -0.639) 5.937 16.444 ( -4.831 0.000 -0.519) 4.858 19.994 ( 1.489 0.000 -0.642) 1.621 20.006 ( 2.690 0.000 1.125) 2.916 20.217 ( 3.853 0.000 -1.496) 4.133 20.696 ( 11.916 0.000 -37.014) 38.884 20.772 ( 2.680 0.000 -10.636) 10.969 20.895 ( -0.940 0.000 0.455) 1.045 20.950 ( 3.335 0.000 0.772) 3.423 20.994 ( 2.324 0.000 -0.916) 2.498 21.116 ( 4.808 0.000 -5.270) 7.134 21.291 ( 0.325 0.000 0.742) 0.810 21.534 ( -0.430 0.000 0.062) 0.435 21.642 ( 1.616 0.000 0.861) 1.831 21.867 ( 0.036 0.000 -0.486) 0.488 21.886 ( 1.934 0.000 2.399) 3.082 22.643 ( 0.117 0.000 0.495) 0.509 22.715 ( -22.053 0.000 52.954) 57.363 22.754 ( 4.836 0.000 4.174) 6.388 22.784 ( -4.922 0.000 1.634) 5.186 22.995 ( 5.529 0.000 -3.326) 6.452 23.070 ( 0.403 0.000 0.302) 0.503 23.078 ( -5.847 0.000 -1.991) 6.176 23.761 ( -14.886 0.000 26.713) 30.581 23.849 ( -6.787 0.000 -0.992) 6.859 24.725 ( -10.399 0.000 -0.926) 10.440 25.720 ( 2.325 0.000 0.283) 2.342 25.726 ( 2.914 0.000 -0.067) 2.915 25.755 ( 2.690 0.000 0.126) 2.693 26.138 ( 3.798 0.000 -10.194) 10.879 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 29.848 0.000 2.977) 29.996 1.275 ( 29.873 0.000 10.387) 31.627 1.959 ( 1.666 0.000 -14.104) 14.202 2.108 ( 29.919 0.000 8.210) 31.025 2.376 ( 0.758 0.000 7.231) 7.270 2.430 ( 5.574 0.000 -9.140) 10.706 2.470 ( 5.661 0.000 -2.356) 6.131 2.484 ( 13.817 0.000 2.233) 13.997 2.496 ( -5.694 0.000 -4.599) 7.319 2.539 ( 1.468 0.000 -6.364) 6.531 2.571 ( -2.561 0.000 3.850) 4.624 2.679 ( -4.043 0.000 -1.429) 4.288 2.713 ( -1.261 0.000 1.144) 1.703 2.777 ( -0.880 0.000 -2.833) 2.966 2.782 ( 4.565 0.000 0.309) 4.576 2.829 ( 3.130 0.000 -1.334) 3.402 2.909 ( -1.926 0.000 -1.984) 2.766 2.955 ( -7.434 0.000 -1.233) 7.536 2.955 ( 5.422 0.000 -0.744) 5.473 3.027 ( 1.232 0.000 5.486) 5.623 3.170 ( 4.239 0.000 4.705) 6.333 3.195 ( 3.074 0.000 -2.416) 3.910 3.241 ( -0.608 0.000 -0.017) 0.608 3.365 ( 0.231 0.000 -1.179) 1.201 3.405 ( -2.898 0.000 0.333) 2.917 3.459 ( 7.295 0.000 2.745) 7.794 3.464 ( 0.921 0.000 3.435) 3.556 3.533 ( -1.873 0.000 3.233) 3.736 3.601 ( -7.034 0.000 -3.049) 7.667 3.635 ( -5.525 0.000 0.904) 5.599 3.699 ( -2.506 0.000 1.714) 3.036 3.704 ( 6.721 0.000 -12.135) 13.872 3.887 ( 8.054 0.000 -3.785) 8.899 3.950 ( 1.199 0.000 2.866) 3.107 4.023 ( 5.322 0.000 3.136) 6.177 4.051 ( 0.917 0.000 -5.361) 5.439 4.063 ( -2.859 0.000 3.268) 4.342 4.208 ( 4.749 0.000 -2.282) 5.268 4.302 ( 4.935 0.000 -2.573) 5.565 4.376 ( -0.660 0.000 1.043) 1.234 4.478 ( -6.068 0.000 8.056) 10.086 4.516 ( 0.183 0.000 4.673) 4.677 4.646 ( -1.837 0.000 -0.385) 1.877 4.658 ( 8.243 0.000 -6.861) 10.725 4.766 ( -7.701 0.000 1.050) 7.773 4.930 ( -3.331 0.000 1.503) 3.654 4.937 ( -0.117 0.000 3.010) 3.012 4.988 ( 3.512 0.000 -5.201) 6.276 5.078 ( 3.141 0.000 0.158) 3.145 5.154 ( 3.199 0.000 -8.463) 9.047 5.174 ( 0.452 0.000 0.338) 0.564 5.264 ( 10.620 0.000 -2.541) 10.919 5.285 ( -10.960 0.000 -1.531) 11.066 5.434 ( 2.129 0.000 4.374) 4.865 5.467 ( -1.814 0.000 -5.201) 5.508 5.616 ( -12.936 0.000 0.565) 12.949 5.708 ( -2.958 0.000 -6.134) 6.810 5.736 ( -7.948 0.000 3.138) 8.545 5.828 ( -11.596 0.000 3.164) 12.020 5.846 ( -5.294 0.000 9.546) 10.916 5.977 ( -5.531 0.000 0.037) 5.531 6.024 ( -7.436 0.000 -2.471) 7.836 6.068 ( -4.854 0.000 -3.330) 5.886 6.084 ( -3.391 0.000 5.321) 6.309 6.168 ( -1.117 0.000 0.720) 1.329 6.315 ( -16.130 0.000 -1.766) 16.226 6.446 ( -2.091 0.000 2.128) 2.983 6.488 ( 1.602 0.000 -3.023) 3.421 6.673 ( 6.961 0.000 3.609) 7.841 6.766 ( 2.932 0.000 -3.360) 4.459 6.818 ( 6.932 0.000 -1.639) 7.123 6.863 ( 2.768 0.000 2.275) 3.583 7.017 ( 3.417 0.000 -1.468) 3.719 7.026 ( -1.463 0.000 -1.972) 2.456 7.205 ( 1.780 0.000 -0.068) 1.782 7.254 ( -1.448 0.000 1.079) 1.806 7.283 ( 0.898 0.000 -4.366) 4.457 7.390 ( 1.873 0.000 7.640) 7.866 7.472 ( -5.196 0.000 -0.668) 5.238 7.550 ( 1.872 0.000 -1.534) 2.420 7.594 ( -1.818 0.000 4.228) 4.602 7.681 ( -2.991 0.000 -7.383) 7.966 7.773 ( -3.091 0.000 2.329) 3.870 7.847 ( -6.317 0.000 2.858) 6.934 8.129 ( -7.254 0.000 -3.070) 7.876 8.470 ( 2.648 0.000 4.414) 5.148 8.507 ( 4.933 0.000 -0.847) 5.005 8.578 ( 0.305 0.000 2.007) 2.030 8.652 ( 3.151 0.000 3.960) 5.061 8.661 ( 10.647 0.000 -2.232) 10.879 8.783 ( -1.703 0.000 -3.495) 3.888 8.788 ( -6.013 0.000 -3.322) 6.869 8.829 ( -1.817 0.000 2.446) 3.047 8.854 ( -3.258 0.000 0.555) 3.305 8.954 ( 3.275 0.000 -7.308) 8.008 9.040 ( 0.103 0.000 2.325) 2.327 9.087 ( 2.244 0.000 -5.036) 5.513 9.188 ( 1.703 0.000 0.158) 1.710 9.220 ( 4.671 0.000 -1.914) 5.048 9.224 ( 2.242 0.000 1.381) 2.633 9.319 ( 3.027 0.000 -0.545) 3.076 9.468 ( 2.676 0.000 2.075) 3.386 9.487 ( 2.286 0.000 0.158) 2.291 9.611 ( 1.411 0.000 10.621) 10.714 9.686 ( 2.337 0.000 -9.051) 9.347 9.845 ( -4.255 0.000 -2.691) 5.035 10.062 ( -7.040 0.000 2.862) 7.599 10.174 ( -2.639 0.000 5.271) 5.894 10.177 ( -8.642 0.000 -0.186) 8.644 10.304 ( -6.168 0.000 -2.627) 6.704 10.323 ( 4.142 0.000 -0.413) 4.162 10.602 ( -5.878 0.000 0.342) 5.887 10.626 ( -2.105 0.000 1.201) 2.423 10.634 ( 0.862 0.000 -5.572) 5.638 10.713 ( -7.116 0.000 -0.183) 7.119 10.949 ( 5.048 0.000 5.333) 7.343 11.118 ( -1.169 0.000 7.025) 7.122 11.210 ( -9.611 0.000 -3.184) 10.124 11.490 ( 2.491 0.000 0.206) 2.500 11.654 ( 4.214 0.000 -12.286) 12.989 11.714 ( 10.679 0.000 4.430) 11.561 11.779 ( 3.801 0.000 -4.581) 5.952 11.876 ( 10.570 0.000 5.409) 11.874 12.064 ( 2.796 0.000 -8.543) 8.989 12.110 ( 9.165 0.000 0.436) 9.176 12.128 ( 5.230 0.000 -4.374) 6.818 12.210 ( 1.533 0.000 1.843) 2.397 12.221 ( -0.137 0.000 -0.713) 0.726 12.293 ( 12.190 0.000 -3.545) 12.695 12.327 ( 0.389 0.000 -0.792) 0.883 12.878 ( 3.124 0.000 10.185) 10.653 12.998 ( 5.158 0.000 7.203) 8.860 13.063 ( 0.142 0.000 -2.068) 2.072 13.120 ( 3.402 0.000 15.947) 16.306 13.229 ( 0.318 0.000 7.430) 7.436 13.247 ( 4.351 0.000 -9.477) 10.429 13.535 ( 6.867 0.000 -5.694) 8.921 13.646 ( 2.464 0.000 -0.869) 2.613 13.866 ( 7.918 0.000 3.393) 8.614 14.133 ( -0.190 0.000 -8.317) 8.319 14.260 ( -8.004 0.000 -2.432) 8.365 14.354 ( 4.951 0.000 -21.350) 21.917 14.415 ( -3.832 0.000 0.764) 3.908 14.585 ( -1.716 0.000 -1.685) 2.405 14.814 ( -7.945 0.000 9.577) 12.444 15.007 ( -2.689 0.000 2.449) 3.637 15.223 ( -2.073 0.000 -0.894) 2.258 15.432 ( -0.168 0.000 1.906) 1.913 15.910 ( -7.965 0.000 2.455) 8.334 16.234 ( -7.386 0.000 -0.499) 7.403 16.288 ( -3.531 0.000 -0.094) 3.532 16.327 ( -6.670 0.000 -1.181) 6.774 20.024 ( 2.112 0.000 -0.670) 2.216 20.073 ( 3.279 0.000 1.374) 3.556 20.285 ( 4.310 0.000 -2.289) 4.881 20.662 ( 1.115 0.000 -8.979) 9.048 20.770 ( 4.473 0.000 -10.211) 11.148 20.895 ( 0.805 0.000 0.668) 1.045 21.012 ( 1.845 0.000 2.413) 3.037 21.030 ( 2.014 0.000 -1.016) 2.256 21.170 ( 5.103 0.000 -7.283) 8.893 21.302 ( -0.061 0.000 1.636) 1.637 21.530 ( -0.513 0.000 1.321) 1.417 21.637 ( -2.744 0.000 -0.545) 2.798 21.933 ( 8.163 0.000 0.537) 8.180 21.973 ( 5.745 0.000 3.731) 6.850 22.580 ( -12.861 0.000 7.133) 14.707 22.658 ( -0.040 0.000 1.743) 1.744 22.761 ( -4.108 0.000 12.211) 12.884 22.764 ( -9.304 0.000 0.753) 9.334 23.052 ( 7.400 0.000 1.767) 7.608 23.057 ( 2.115 0.000 -1.304) 2.485 23.094 ( 4.445 0.000 -4.348) 6.218 23.639 ( -13.456 0.000 16.596) 21.365 23.697 ( -7.969 0.000 -1.389) 8.089 24.469 ( -15.451 0.000 -2.313) 15.623 25.772 ( 2.812 0.000 0.350) 2.833 25.784 ( 3.447 0.000 -0.837) 3.547 25.811 ( 2.586 0.000 1.062) 2.796 26.141 ( 1.566 0.000 -3.876) 4.181 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 24.626 0.000 3.826) 24.922 1.834 ( 21.397 0.000 8.502) 23.025 1.975 ( 10.121 0.000 -7.891) 12.834 2.185 ( -18.052 0.000 -4.694) 18.652 2.284 ( -9.780 0.000 -0.134) 9.780 2.357 ( 0.755 0.000 3.243) 3.330 2.362 ( -16.311 0.000 -4.833) 17.012 2.433 ( -1.072 0.000 1.754) 2.056 2.542 ( 8.390 0.000 -7.699) 11.387 2.598 ( 4.947 0.000 -2.286) 5.450 2.650 ( 0.569 0.000 0.449) 0.725 2.666 ( -7.015 0.000 5.145) 8.699 2.696 ( 0.254 0.000 -0.737) 0.780 2.780 ( 4.039 0.000 -1.774) 4.412 2.824 ( -1.148 0.000 -3.608) 3.786 2.883 ( -0.398 0.000 -1.670) 1.717 2.940 ( 4.396 0.000 1.206) 4.558 2.953 ( 6.477 0.000 -0.876) 6.536 2.995 ( 0.258 0.000 -1.240) 1.266 3.132 ( 1.327 0.000 1.849) 2.276 3.248 ( -0.184 0.000 1.173) 1.188 3.249 ( 0.759 0.000 6.028) 6.076 3.303 ( -2.714 0.000 -4.786) 5.502 3.353 ( -2.218 0.000 0.531) 2.281 3.395 ( 9.038 0.000 2.420) 9.357 3.446 ( -2.339 0.000 0.928) 2.517 3.502 ( -4.877 0.000 -0.469) 4.900 3.512 ( 1.763 0.000 5.659) 5.927 3.605 ( -0.619 0.000 1.829) 1.931 3.675 ( 6.530 0.000 0.600) 6.558 3.685 ( 11.573 0.000 -4.548) 12.434 3.706 ( 9.219 0.000 0.555) 9.236 3.840 ( -7.181 0.000 -2.371) 7.562 4.043 ( 3.161 0.000 1.877) 3.676 4.102 ( 5.126 0.000 -2.896) 5.887 4.122 ( 4.908 0.000 4.216) 6.470 4.175 ( 8.740 0.000 -5.394) 10.271 4.242 ( -2.901 0.000 5.104) 5.871 4.296 ( -15.259 0.000 0.837) 15.282 4.352 ( -4.851 0.000 2.322) 5.379 4.375 ( 4.877 0.000 -1.682) 5.159 4.522 ( -15.350 0.000 -4.330) 15.949 4.549 ( -3.772 0.000 2.233) 4.384 4.689 ( 6.105 0.000 2.019) 6.430 4.831 ( -1.427 0.000 0.945) 1.712 4.882 ( 17.460 0.000 -4.453) 18.019 4.955 ( -1.255 0.000 -4.849) 5.009 4.972 ( 2.828 0.000 4.847) 5.611 5.121 ( 1.462 0.000 -1.174) 1.875 5.135 ( -3.508 0.000 -1.546) 3.834 5.148 ( -7.024 0.000 3.406) 7.806 5.259 ( 5.298 0.000 -2.883) 6.032 5.267 ( -7.730 0.000 -5.698) 9.603 5.399 ( -7.111 0.000 -2.083) 7.410 5.441 ( 1.003 0.000 -0.958) 1.387 5.489 ( -0.844 0.000 1.805) 1.993 5.640 ( 1.157 0.000 4.674) 4.815 5.650 ( -4.135 0.000 1.679) 4.463 5.705 ( 0.885 0.000 -1.367) 1.629 5.868 ( -1.856 0.000 -0.284) 1.877 5.870 ( -6.381 0.000 -1.567) 6.571 5.888 ( -1.653 0.000 1.211) 2.049 5.985 ( -1.154 0.000 -1.630) 1.997 6.009 ( -4.433 0.000 2.077) 4.895 6.067 ( -9.389 0.000 0.212) 9.391 6.209 ( 1.775 0.000 1.020) 2.047 6.437 ( -0.290 0.000 0.820) 0.870 6.551 ( 5.501 0.000 -0.463) 5.520 6.791 ( 1.100 0.000 -1.160) 1.599 6.819 ( 5.276 0.000 3.265) 6.204 6.867 ( -4.937 0.000 1.127) 5.064 6.884 ( -0.181 0.000 0.053) 0.189 7.009 ( 5.949 0.000 -4.369) 7.381 7.099 ( 3.590 0.000 1.175) 3.778 7.181 ( -4.172 0.000 -2.787) 5.018 7.219 ( -5.299 0.000 0.737) 5.350 7.242 ( 1.408 0.000 0.198) 1.422 7.400 ( -1.863 0.000 0.013) 1.863 7.453 ( 0.755 0.000 4.103) 4.172 7.540 ( -0.362 0.000 -3.220) 3.240 7.594 ( -0.782 0.000 2.371) 2.496 7.654 ( 2.380 0.000 -4.881) 5.430 7.746 ( -1.597 0.000 3.016) 3.413 7.768 ( -2.901 0.000 0.639) 2.971 8.005 ( -3.559 0.000 -2.003) 4.084 8.519 ( -0.130 0.000 6.108) 6.109 8.565 ( -0.322 0.000 -4.906) 4.916 8.585 ( 2.177 0.000 2.460) 3.285 8.643 ( -3.180 0.000 -3.187) 4.502 8.705 ( -1.360 0.000 3.228) 3.503 8.779 ( 2.947 0.000 -0.291) 2.962 8.795 ( 3.345 0.000 -3.197) 4.627 8.846 ( 0.529 0.000 2.650) 2.702 8.855 ( 1.293 0.000 2.871) 3.149 8.948 ( 1.209 0.000 -5.696) 5.823 9.037 ( -1.574 0.000 -1.238) 2.003 9.093 ( 0.772 0.000 -1.521) 1.706 9.196 ( -0.019 0.000 0.519) 0.520 9.216 ( 0.291 0.000 -0.147) 0.326 9.290 ( 2.451 0.000 -0.519) 2.505 9.393 ( 1.398 0.000 -0.537) 1.497 9.505 ( 0.398 0.000 -1.475) 1.527 9.522 ( 1.214 0.000 0.077) 1.216 9.651 ( 3.183 0.000 4.267) 5.323 9.744 ( -3.599 0.000 -0.469) 3.629 9.793 ( 5.184 0.000 -0.242) 5.190 9.959 ( -5.035 0.000 1.183) 5.172 10.055 ( -4.029 0.000 0.865) 4.120 10.178 ( 0.013 0.000 2.292) 2.292 10.231 ( -1.315 0.000 -0.574) 1.435 10.376 ( 0.277 0.000 -1.914) 1.934 10.538 ( -0.143 0.000 1.696) 1.702 10.541 ( -3.828 0.000 -3.912) 5.473 10.607 ( -1.341 0.000 2.696) 3.011 10.663 ( 0.197 0.000 -2.140) 2.149 10.957 ( -2.717 0.000 0.811) 2.835 11.056 ( -4.317 0.000 -1.597) 4.603 11.273 ( 6.575 0.000 9.650) 11.677 11.511 ( 0.036 0.000 0.788) 0.789 11.584 ( -2.567 0.000 -10.111) 10.431 11.793 ( 0.958 0.000 -1.943) 2.166 11.925 ( 9.508 0.000 3.336) 10.076 12.027 ( 3.143 0.000 -0.640) 3.208 12.070 ( 2.273 0.000 -5.643) 6.083 12.139 ( -6.359 0.000 -0.313) 6.367 12.196 ( 3.171 0.000 -0.982) 3.320 12.240 ( 0.133 0.000 1.762) 1.767 12.253 ( 4.432 0.000 0.325) 4.444 12.340 ( 0.868 0.000 0.465) 0.985 12.435 ( 5.298 0.000 -1.572) 5.526 12.947 ( 0.457 0.000 2.699) 2.738 13.072 ( 2.391 0.000 -1.768) 2.974 13.131 ( -2.672 0.000 0.829) 2.797 13.175 ( 0.979 0.000 14.186) 14.219 13.263 ( 4.666 0.000 -10.935) 11.889 13.412 ( 5.042 0.000 19.033) 19.690 13.567 ( 1.130 0.000 -9.784) 9.849 13.677 ( 2.048 0.000 -4.423) 4.874 13.967 ( 1.245 0.000 -0.378) 1.301 14.069 ( -0.989 0.000 -5.162) 5.256 14.162 ( -0.619 0.000 0.174) 0.643 14.358 ( -2.528 0.000 0.433) 2.565 14.371 ( 5.183 0.000 -2.830) 5.905 14.515 ( -4.308 0.000 -1.675) 4.622 14.750 ( -3.310 0.000 3.366) 4.721 14.972 ( -1.375 0.000 0.039) 1.376 15.178 ( -1.578 0.000 -0.672) 1.715 15.436 ( -0.229 0.000 0.717) 0.753 15.815 ( -3.311 0.000 1.221) 3.529 16.128 ( -3.236 0.000 -0.103) 3.238 16.222 ( -3.264 0.000 -0.736) 3.346 16.238 ( -1.560 0.000 -0.078) 1.562 20.053 ( 1.068 0.000 -0.237) 1.094 20.125 ( 1.450 0.000 0.605) 1.571 20.327 ( 1.553 0.000 -1.199) 1.962 20.632 ( -0.206 0.000 -2.040) 2.050 20.788 ( 2.177 0.000 -3.925) 4.489 20.926 ( 1.455 0.000 0.479) 1.532 21.042 ( 0.116 0.000 1.627) 1.631 21.049 ( 0.577 0.000 -0.462) 0.740 21.198 ( 1.990 0.000 -3.515) 4.039 21.308 ( -0.192 0.000 0.861) 0.882 21.531 ( -0.125 0.000 0.693) 0.705 21.575 ( -2.384 0.000 -0.556) 2.448 22.137 ( 11.840 0.000 0.723) 11.862 22.141 ( 9.879 0.000 3.009) 10.328 22.372 ( -11.985 0.000 -0.168) 11.986 22.503 ( -13.312 0.000 -0.202) 13.313 22.698 ( 0.535 0.000 0.261) 0.596 22.768 ( -1.128 0.000 3.961) 4.119 23.069 ( 0.073 0.000 0.269) 0.278 23.152 ( 3.954 0.000 -4.343) 5.873 23.236 ( 7.213 0.000 2.343) 7.584 23.523 ( -6.929 0.000 7.702) 10.360 23.580 ( -3.396 0.000 -0.608) 3.450 24.203 ( -9.505 0.000 -1.969) 9.707 25.813 ( 1.223 0.000 0.155) 1.233 25.828 ( 1.713 0.000 -0.791) 1.887 25.849 ( 0.723 0.000 0.933) 1.180 26.143 ( 0.470 0.000 -1.100) 1.196 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 32.640 0.000) 32.640 0.610 ( 0.000 33.027 0.000) 33.027 1.100 ( 0.000 59.318 0.000) 59.318 2.025 ( 0.000 -12.547 0.000) 12.547 2.100 ( 0.000 -17.686 0.000) 17.686 2.250 ( 0.000 -1.328 0.000) 1.328 2.265 ( 0.000 2.718 0.000) 2.718 2.393 ( 0.000 -4.035 0.000) 4.035 2.411 ( 0.000 4.404 0.000) 4.404 2.542 ( 0.000 -1.135 0.000) 1.135 2.576 ( 0.000 2.196 0.000) 2.196 2.661 ( 0.000 -3.605 0.000) 3.605 2.666 ( 0.000 -4.287 0.000) 4.287 2.765 ( 0.000 -0.098 0.000) 0.098 2.768 ( 0.000 4.684 0.000) 4.684 2.849 ( 0.000 -1.910 0.000) 1.910 2.881 ( 0.000 0.447 0.000) 0.447 2.954 ( 0.000 6.918 0.000) 6.918 3.054 ( 0.000 -3.312 0.000) 3.312 3.086 ( 0.000 3.234 0.000) 3.234 3.151 ( 0.000 3.577 0.000) 3.577 3.251 ( 0.000 3.840 0.000) 3.840 3.302 ( 0.000 -1.554 0.000) 1.554 3.348 ( 0.000 1.251 0.000) 1.251 3.353 ( 0.000 -0.503 0.000) 0.503 3.420 ( 0.000 1.061 0.000) 1.061 3.462 ( 0.000 0.271 0.000) 0.271 3.544 ( 0.000 2.334 0.000) 2.334 3.603 ( 0.000 -8.101 0.000) 8.101 3.634 ( 0.000 7.993 0.000) 7.993 3.693 ( 0.000 -0.897 0.000) 0.897 3.727 ( 0.000 2.102 0.000) 2.102 3.843 ( 0.000 1.550 0.000) 1.550 3.890 ( 0.000 -0.761 0.000) 0.761 3.937 ( 0.000 -4.923 0.000) 4.923 3.996 ( 0.000 3.245 0.000) 3.245 4.083 ( 0.000 -9.066 0.000) 9.066 4.171 ( 0.000 -1.541 0.000) 1.541 4.179 ( 0.000 -0.673 0.000) 0.673 4.314 ( 0.000 1.563 0.000) 1.563 4.388 ( 0.000 -9.036 0.000) 9.036 4.498 ( 0.000 -7.675 0.000) 7.675 4.541 ( 0.000 0.607 0.000) 0.607 4.590 ( 0.000 0.519 0.000) 0.519 4.703 ( 0.000 -1.576 0.000) 1.576 4.761 ( 0.000 3.683 0.000) 3.683 4.885 ( 0.000 -2.648 0.000) 2.648 4.886 ( 0.000 4.462 0.000) 4.462 5.030 ( 0.000 1.258 0.000) 1.258 5.102 ( 0.000 3.303 0.000) 3.303 5.237 ( 0.000 -2.437 0.000) 2.437 5.282 ( 0.000 -3.088 0.000) 3.088 5.429 ( 0.000 1.505 0.000) 1.505 5.454 ( 0.000 -5.392 0.000) 5.392 5.584 ( 0.000 -3.714 0.000) 3.714 5.663 ( 0.000 7.982 0.000) 7.982 5.849 ( 0.000 -4.086 0.000) 4.086 5.914 ( 0.000 -3.559 0.000) 3.559 6.014 ( 0.000 0.007 0.000) 0.007 6.027 ( 0.000 -0.357 0.000) 0.357 6.064 ( 0.000 3.675 0.000) 3.675 6.126 ( 0.000 4.065 0.000) 4.065 6.279 ( 0.000 8.139 0.000) 8.139 6.284 ( 0.000 1.123 0.000) 1.123 6.397 ( 0.000 2.419 0.000) 2.419 6.409 ( 0.000 5.014 0.000) 5.014 6.464 ( 0.000 -0.427 0.000) 0.427 6.615 ( 0.000 -3.125 0.000) 3.125 6.636 ( 0.000 4.773 0.000) 4.773 6.684 ( 0.000 -2.819 0.000) 2.819 6.871 ( 0.000 -0.206 0.000) 0.206 6.884 ( 0.000 -5.484 0.000) 5.484 7.005 ( 0.000 3.527 0.000) 3.527 7.045 ( 0.000 -5.591 0.000) 5.591 7.103 ( 0.000 -9.715 0.000) 9.715 7.121 ( 0.000 -1.389 0.000) 1.389 7.308 ( 0.000 -0.843 0.000) 0.843 7.398 ( 0.000 -1.525 0.000) 1.525 7.589 ( 0.000 -0.631 0.000) 0.631 7.663 ( 0.000 2.102 0.000) 2.102 7.676 ( 0.000 7.475 0.000) 7.475 7.903 ( 0.000 -2.753 0.000) 2.753 8.014 ( 0.000 1.935 0.000) 1.935 8.019 ( 0.000 -0.808 0.000) 0.808 8.268 ( 0.000 0.151 0.000) 0.151 8.372 ( 0.000 -2.121 0.000) 2.121 8.378 ( 0.000 4.030 0.000) 4.030 8.452 ( 0.000 4.472 0.000) 4.472 8.514 ( 0.000 -1.213 0.000) 1.213 8.664 ( 0.000 3.479 0.000) 3.479 8.823 ( 0.000 -3.605 0.000) 3.605 8.843 ( 0.000 -7.880 0.000) 7.880 8.869 ( 0.000 -3.227 0.000) 3.227 8.879 ( 0.000 -7.273 0.000) 7.273 8.886 ( 0.000 -0.959 0.000) 0.959 9.014 ( 0.000 4.626 0.000) 4.626 9.053 ( 0.000 0.976 0.000) 0.976 9.107 ( 0.000 -2.236 0.000) 2.236 9.150 ( 0.000 3.800 0.000) 3.800 9.245 ( 0.000 -1.640 0.000) 1.640 9.365 ( 0.000 9.597 0.000) 9.597 9.490 ( 0.000 2.865 0.000) 2.865 9.524 ( 0.000 0.585 0.000) 0.585 9.543 ( 0.000 3.253 0.000) 3.253 9.795 ( 0.000 -1.718 0.000) 1.718 9.822 ( 0.000 8.394 0.000) 8.394 9.914 ( 0.000 5.055 0.000) 5.055 10.275 ( 0.000 3.296 0.000) 3.296 10.318 ( 0.000 0.125 0.000) 0.125 10.385 ( 0.000 -2.144 0.000) 2.144 10.548 ( 0.000 -2.113 0.000) 2.113 10.625 ( 0.000 0.467 0.000) 0.467 10.680 ( 0.000 0.951 0.000) 0.951 10.785 ( 0.000 -2.455 0.000) 2.455 10.834 ( 0.000 -2.143 0.000) 2.143 11.008 ( 0.000 -2.665 0.000) 2.665 11.035 ( 0.000 -13.068 0.000) 13.068 11.111 ( 0.000 -3.737 0.000) 3.737 11.414 ( 0.000 -1.436 0.000) 1.436 11.550 ( 0.000 0.610 0.000) 0.610 11.555 ( 0.000 2.944 0.000) 2.944 11.646 ( 0.000 1.257 0.000) 1.257 11.675 ( 0.000 -1.007 0.000) 1.007 11.748 ( 0.000 1.214 0.000) 1.214 11.932 ( 0.000 -3.818 0.000) 3.818 12.008 ( 0.000 3.531 0.000) 3.531 12.088 ( 0.000 -6.926 0.000) 6.926 12.152 ( 0.000 -2.303 0.000) 2.303 12.216 ( 0.000 3.124 0.000) 3.124 12.324 ( 0.000 2.926 0.000) 2.926 12.458 ( 0.000 5.067 0.000) 5.067 12.755 ( 0.000 -0.810 0.000) 0.810 12.851 ( 0.000 -3.450 0.000) 3.450 12.947 ( 0.000 -9.171 0.000) 9.171 13.181 ( 0.000 3.399 0.000) 3.399 13.236 ( 0.000 3.648 0.000) 3.648 13.513 ( 0.000 0.823 0.000) 0.823 13.560 ( 0.000 -2.568 0.000) 2.568 13.574 ( 0.000 2.649 0.000) 2.649 13.708 ( 0.000 -1.084 0.000) 1.084 14.278 ( 0.000 5.134 0.000) 5.134 14.391 ( 0.000 -7.266 0.000) 7.266 14.482 ( 0.000 -0.391 0.000) 0.391 14.715 ( 0.000 4.507 0.000) 4.507 14.897 ( 0.000 3.854 0.000) 3.854 15.004 ( 0.000 0.262 0.000) 0.262 15.322 ( 0.000 0.612 0.000) 0.612 15.407 ( 0.000 -0.328 0.000) 0.328 16.108 ( 0.000 2.530 0.000) 2.530 16.340 ( 0.000 -3.732 0.000) 3.732 16.443 ( 0.000 1.699 0.000) 1.699 16.552 ( 0.000 -0.876 0.000) 0.876 19.984 ( 0.000 0.940 0.000) 0.940 20.080 ( 0.000 0.591 0.000) 0.591 20.083 ( 0.000 -1.576 0.000) 1.576 20.166 ( 0.000 -1.809 0.000) 1.809 20.822 ( 0.000 3.784 0.000) 3.784 20.942 ( 0.000 3.668 0.000) 3.668 20.986 ( 0.000 7.391 0.000) 7.391 21.066 ( 0.000 -1.802 0.000) 1.802 21.233 ( 0.000 -2.342 0.000) 2.342 21.478 ( 0.000 -3.561 0.000) 3.561 21.651 ( 0.000 2.918 0.000) 2.918 21.766 ( 0.000 0.769 0.000) 0.769 21.855 ( 0.000 -0.195 0.000) 0.195 22.241 ( 0.000 -7.979 0.000) 7.979 22.668 ( 0.000 0.948 0.000) 0.948 22.675 ( 0.000 0.992 0.000) 0.992 22.809 ( 0.000 -4.161 0.000) 4.161 22.864 ( 0.000 -5.114 0.000) 5.114 23.056 ( 0.000 0.240 0.000) 0.240 23.116 ( 0.000 -2.264 0.000) 2.264 23.173 ( 0.000 7.356 0.000) 7.356 23.596 ( 0.000 -8.109 0.000) 8.109 24.156 ( 0.000 18.219 0.000) 18.219 25.012 ( 0.000 -8.331 0.000) 8.331 25.699 ( 0.000 0.308 0.000) 0.308 25.700 ( 0.000 0.216 0.000) 0.216 25.724 ( 0.000 -0.362 0.000) 0.362 25.726 ( 0.000 -0.370 0.000) 0.370 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 20.880 22.461 0.255) 30.668 0.892 ( 22.178 21.573 6.144) 31.544 1.554 ( 37.221 36.963 10.995) 53.596 1.989 ( -0.756 -9.499 -11.661) 15.059 2.122 ( 4.326 -14.646 4.627) 15.957 2.284 ( 3.521 -1.677 5.253) 6.543 2.357 ( 5.670 -2.004 -7.032) 9.253 2.403 ( 5.818 2.351 -2.569) 6.781 2.458 ( 4.855 0.212 1.685) 5.143 2.566 ( 1.469 1.543 -5.427) 5.830 2.659 ( 3.431 -1.433 5.238) 6.423 2.680 ( 0.558 -3.331 -1.057) 3.539 2.690 ( 1.657 -1.611 0.936) 2.494 2.745 ( -0.928 0.476 -0.598) 1.202 2.775 ( 1.912 0.615 -1.933) 2.787 2.863 ( -0.488 1.226 -0.685) 1.487 2.874 ( 1.962 -0.488 4.638) 5.059 2.903 ( -4.337 5.509 -2.464) 7.432 3.056 ( -1.161 -0.923 -2.882) 3.241 3.108 ( -2.594 0.044 -1.115) 2.824 3.123 ( -0.378 3.367 -2.003) 3.936 3.169 ( -1.833 -0.530 -0.713) 2.037 3.300 ( 1.380 -0.501 0.311) 1.501 3.306 ( -3.956 -1.448 0.906) 4.309 3.417 ( 0.111 2.630 1.728) 3.149 3.424 ( 1.651 -0.222 0.969) 1.927 3.471 ( -0.021 0.442 -1.906) 1.957 3.544 ( 1.923 1.878 1.965) 3.330 3.600 ( 0.392 -4.232 1.016) 4.370 3.684 ( 2.656 2.496 0.178) 3.649 3.697 ( 3.241 3.487 -0.363) 4.774 3.757 ( 0.742 3.142 -4.624) 5.639 3.830 ( -1.240 1.965 1.167) 2.600 3.923 ( 1.245 -0.510 4.546) 4.741 3.987 ( 1.904 0.328 3.942) 4.390 4.020 ( 2.365 2.351 -3.707) 4.986 4.067 ( 1.096 -11.156 -1.118) 11.265 4.149 ( -1.462 -2.393 -0.633) 2.875 4.234 ( 2.402 -2.300 -3.850) 5.088 4.368 ( 4.497 1.525 -1.870) 5.103 4.465 ( 2.529 -11.692 2.531) 12.227 4.524 ( 1.150 -0.987 0.683) 1.662 4.553 ( -1.208 -0.057 0.374) 1.266 4.668 ( 4.665 -3.485 -2.444) 6.315 4.716 ( 5.956 -3.527 1.116) 7.012 4.808 ( -1.445 1.041 -1.657) 2.433 4.860 ( 5.980 2.765 1.199) 6.696 4.954 ( 3.627 -2.413 0.919) 4.452 5.067 ( 1.178 0.629 -1.884) 2.310 5.106 ( 4.170 2.283 -0.093) 4.755 5.217 ( -4.470 -2.059 -0.769) 4.981 5.240 ( -1.964 -1.395 -5.106) 5.645 5.313 ( -0.526 -1.156 2.211) 2.550 5.493 ( -7.836 -0.661 -1.527) 8.011 5.589 ( 1.574 -4.953 5.807) 7.793 5.623 ( -2.265 4.127 -0.660) 4.753 5.798 ( -4.097 -2.930 -1.474) 5.248 5.908 ( -3.745 -3.274 1.282) 5.137 5.920 ( -9.032 2.806 -1.452) 9.569 5.966 ( -5.344 -1.017 1.556) 5.659 6.002 ( -6.121 0.608 2.614) 6.684 6.093 ( -5.891 0.050 4.870) 7.644 6.233 ( -1.963 7.582 -1.571) 7.988 6.248 ( -2.448 5.182 -0.734) 5.778 6.325 ( -5.485 3.556 -3.117) 7.242 6.459 ( -1.403 -0.964 0.730) 1.853 6.531 ( 6.377 2.145 -0.233) 6.733 6.596 ( -2.001 4.788 2.229) 5.648 6.620 ( -14.259 -3.441 -0.582) 14.680 6.715 ( 4.518 1.415 -2.487) 5.348 6.772 ( 6.170 0.012 0.445) 6.186 6.954 ( -5.536 5.912 -2.758) 8.556 6.988 ( -2.525 -3.589 1.589) 4.667 7.012 ( 3.216 -1.316 -5.903) 6.850 7.076 ( -1.572 -3.909 -1.733) 4.556 7.137 ( 3.599 -7.166 -0.480) 8.033 7.337 ( 2.121 1.568 3.753) 4.587 7.351 ( -6.823 6.462 -2.795) 9.804 7.504 ( 1.142 2.847 -0.359) 3.089 7.564 ( -1.871 0.193 -0.334) 1.910 7.665 ( -2.581 4.384 6.465) 8.227 7.811 ( -9.555 -4.354 -2.206) 10.729 7.852 ( -7.743 1.283 4.407) 9.001 7.942 ( -4.431 1.842 1.902) 5.162 8.303 ( -0.960 4.709 0.831) 4.877 8.380 ( 2.469 0.982 -0.624) 2.729 8.452 ( 2.513 -1.796 -3.972) 5.032 8.486 ( 3.413 1.373 -2.314) 4.346 8.526 ( 3.928 1.872 3.671) 5.693 8.643 ( -1.661 1.291 0.298) 2.124 8.741 ( 0.960 -1.096 6.318) 6.484 8.859 ( -1.357 -1.820 -0.226) 2.282 8.867 ( -0.620 -0.890 -0.416) 1.161 8.919 ( 4.151 -3.878 -1.425) 5.857 8.951 ( 3.783 -3.426 -2.628) 5.741 8.999 ( 2.823 -1.217 -3.867) 4.940 9.011 ( -3.197 0.627 -2.367) 4.027 9.119 ( 0.838 1.272 0.103) 1.526 9.191 ( 2.181 4.881 -2.622) 5.955 9.249 ( 1.303 -0.597 0.297) 1.464 9.355 ( 2.621 9.422 -1.714) 9.928 9.452 ( -1.922 1.199 2.321) 3.243 9.515 ( -3.598 0.348 -3.461) 5.004 9.557 ( 1.337 5.305 3.113) 6.295 9.815 ( -0.569 8.231 -2.134) 8.522 9.902 ( 3.393 0.563 -4.277) 5.488 10.004 ( 3.108 -11.302 0.933) 11.758 10.240 ( -3.769 -0.459 6.996) 7.960 10.293 ( -10.517 -1.719 -2.633) 10.977 10.331 ( -0.512 1.150 0.790) 1.486 10.459 ( -8.035 -3.686 0.705) 8.868 10.531 ( -1.879 0.277 -2.192) 2.900 10.690 ( -0.428 3.844 -0.298) 3.879 10.747 ( -2.643 1.268 2.975) 4.177 10.806 ( 1.376 -3.399 1.614) 4.006 10.870 ( -5.403 2.045 -4.778) 7.497 11.079 ( -3.063 -6.444 3.457) 7.928 11.273 ( 5.742 -8.894 1.261) 10.661 11.417 ( 4.956 -0.894 -0.543) 5.065 11.534 ( 4.525 -0.615 -2.925) 5.424 11.609 ( 3.663 3.794 1.646) 5.524 11.670 ( 5.899 1.797 -3.918) 7.305 11.771 ( 5.784 4.144 -0.083) 7.116 11.830 ( -0.220 -7.537 0.141) 7.541 11.930 ( 8.098 -3.512 1.945) 9.039 12.085 ( 4.039 -5.967 -3.527) 8.022 12.140 ( 2.918 -3.470 0.498) 4.561 12.177 ( 5.487 1.753 -10.534) 12.006 12.227 ( 6.973 6.869 1.829) 9.958 12.334 ( 2.494 3.138 -2.333) 4.638 12.753 ( 4.332 -8.628 -0.443) 9.665 12.797 ( 3.422 -0.639 6.245) 7.149 12.976 ( 2.366 -4.689 5.070) 7.300 13.029 ( 8.052 -4.799 7.848) 12.226 13.188 ( 1.294 1.569 2.862) 3.511 13.253 ( 3.342 2.708 -5.590) 7.053 13.489 ( 1.964 -0.349 0.238) 2.009 13.611 ( 2.246 0.343 1.396) 2.667 13.637 ( 6.972 -2.617 2.687) 7.917 13.969 ( 22.190 -20.070 -14.151) 33.097 14.238 ( -2.358 3.135 -4.507) 5.975 14.368 ( -3.317 -5.237 1.988) 6.510 14.463 ( -1.988 0.259 0.537) 2.075 14.692 ( -0.067 5.030 -6.142) 7.939 14.886 ( -5.132 2.839 8.280) 10.147 14.997 ( -1.301 -1.127 2.582) 3.103 15.292 ( -2.289 1.771 -1.095) 3.094 15.412 ( -0.072 -0.768 1.361) 1.564 16.054 ( -6.359 2.205 1.939) 7.004 16.294 ( -4.647 -4.370 1.334) 6.517 16.384 ( -6.042 1.546 -0.232) 6.241 16.468 ( -6.724 0.377 -1.432) 6.885 20.008 ( 1.863 1.126 0.259) 2.193 20.037 ( 0.970 2.520 0.768) 2.807 20.183 ( 2.916 -3.314 -2.161) 4.915 20.284 ( 12.640 -12.471 -4.542) 18.328 20.818 ( -0.245 5.479 0.154) 5.487 20.943 ( 0.867 3.225 -0.294) 3.353 21.025 ( 2.691 6.080 1.371) 6.789 21.087 ( 2.428 -0.528 -1.360) 2.833 21.246 ( 1.621 -1.454 0.768) 2.309 21.515 ( 2.456 0.809 -0.052) 2.586 21.630 ( -7.259 10.401 -16.217) 20.588 21.648 ( -0.782 1.122 0.410) 1.428 21.871 ( 1.336 -0.518 1.230) 1.889 22.047 ( -5.084 12.397 -19.696) 23.822 22.538 ( -7.799 -4.895 4.746) 10.359 22.689 ( -2.693 -1.165 2.734) 4.011 22.778 ( -3.325 0.872 -5.134) 6.179 22.880 ( -3.599 4.566 17.779) 18.706 22.949 ( 1.150 -0.069 2.715) 2.949 23.066 ( 1.034 -0.075 -2.580) 2.780 23.132 ( -8.167 2.926 10.982) 13.995 23.535 ( -10.360 -12.220 9.566) 18.659 24.111 ( -8.501 16.852 6.408) 19.933 24.754 ( -15.581 -0.256 -0.596) 15.595 25.721 ( 2.259 0.148 0.065) 2.265 25.733 ( 3.324 0.867 0.076) 3.436 25.749 ( 2.511 -0.573 0.046) 2.576 25.976 ( 11.418 -11.251 -4.122) 16.551 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 25.614 12.394 2.862) 28.599 1.379 ( 24.818 10.388 8.768) 28.297 1.928 ( 3.655 -4.018 -11.697) 12.896 2.181 ( 14.384 5.731 3.028) 15.777 2.261 ( 5.193 -11.070 5.347) 13.345 2.407 ( 6.118 -1.529 -4.298) 7.631 2.427 ( 4.819 -3.352 -1.069) 5.967 2.476 ( 1.184 1.005 -2.666) 3.085 2.535 ( 0.938 -1.139 -6.509) 6.675 2.603 ( -2.107 5.955 -2.583) 6.824 2.621 ( 7.011 5.914 6.702) 11.360 2.651 ( -0.242 -3.894 -2.786) 4.794 2.701 ( -4.066 1.959 1.066) 4.638 2.755 ( 3.809 -4.515 -3.260) 6.747 2.766 ( -4.429 -0.690 -4.070) 6.054 2.850 ( 5.176 1.409 -1.136) 5.483 2.883 ( 1.559 2.490 4.129) 5.067 2.909 ( -7.067 -0.107 -4.404) 8.328 2.991 ( 2.143 -0.036 0.302) 2.164 3.055 ( 2.625 0.822 5.134) 5.825 3.157 ( 1.114 -1.076 2.614) 3.038 3.210 ( 1.719 -1.769 0.210) 2.476 3.226 ( 4.145 2.640 1.815) 5.239 3.350 ( -0.678 -2.311 -0.718) 2.513 3.412 ( -3.526 -0.175 0.708) 3.600 3.457 ( 3.804 -0.242 1.979) 4.294 3.505 ( 5.498 0.997 1.670) 5.832 3.572 ( -0.966 1.065 -1.324) 1.954 3.601 ( -6.750 1.131 0.068) 6.844 3.671 ( 2.202 5.776 0.961) 6.256 3.716 ( -0.326 5.499 -2.783) 6.171 3.751 ( 0.472 1.917 -3.286) 3.834 3.904 ( 5.552 1.553 -3.395) 6.690 3.956 ( 2.223 -0.671 -2.696) 3.558 4.002 ( 1.040 2.643 5.115) 5.850 4.065 ( 5.047 1.744 -0.836) 5.405 4.120 ( 1.249 1.523 2.209) 2.960 4.174 ( 6.201 -4.835 -0.796) 7.903 4.275 ( 2.128 -0.959 0.240) 2.346 4.415 ( 0.221 3.473 0.003) 3.480 4.460 ( -0.797 -5.407 5.477) 7.738 4.506 ( -2.021 1.351 4.740) 5.327 4.600 ( 0.428 -3.223 -0.297) 3.265 4.669 ( 5.822 0.506 -6.527) 8.761 4.764 ( -5.172 -0.543 2.093) 5.606 4.853 ( 2.638 -4.502 3.102) 6.071 4.917 ( 0.957 -5.701 -3.560) 6.789 4.969 ( -2.252 1.705 -3.733) 4.681 5.071 ( 2.077 0.323 -1.750) 2.735 5.142 ( 4.126 1.337 -6.615) 7.910 5.190 ( 1.182 -0.960 -1.739) 2.312 5.304 ( 0.108 -4.998 0.200) 5.003 5.327 ( 2.782 5.920 -0.272) 6.547 5.375 ( 1.807 3.601 -1.032) 4.159 5.536 ( -1.982 1.759 -1.448) 3.019 5.612 ( -5.099 -3.367 -1.776) 6.363 5.674 ( -9.764 2.998 1.718) 10.358 5.741 ( -5.151 -4.677 0.261) 6.962 5.820 ( -11.046 2.596 1.606) 11.460 5.833 ( -6.860 -2.624 3.866) 8.300 5.918 ( -2.697 -1.677 0.395) 3.200 6.014 ( -6.107 -4.455 4.353) 8.723 6.164 ( -8.803 8.121 -3.278) 12.417 6.167 ( -6.190 6.042 -0.663) 8.675 6.213 ( -1.217 6.076 1.080) 6.290 6.292 ( -15.462 -1.965 -0.739) 15.604 6.440 ( -2.311 -0.492 -0.214) 2.372 6.522 ( -3.221 3.927 -0.675) 5.124 6.646 ( 5.029 -1.747 1.287) 5.477 6.789 ( 4.695 1.682 -1.428) 5.187 6.858 ( -1.102 -0.999 1.270) 1.955 6.890 ( 3.044 4.080 1.330) 5.262 6.966 ( 1.495 -2.015 0.208) 2.517 7.030 ( 0.490 -2.110 -1.454) 2.608 7.103 ( 3.438 -5.909 -2.662) 7.336 7.191 ( 0.906 -6.363 -2.348) 6.842 7.314 ( 0.857 0.851 0.157) 1.218 7.391 ( -0.640 1.940 4.055) 4.540 7.494 ( -3.517 2.286 1.338) 4.403 7.555 ( 0.438 -0.164 -2.554) 2.596 7.630 ( -1.787 0.179 -2.433) 3.024 7.670 ( -1.755 0.717 0.074) 1.897 7.756 ( -6.366 -2.736 5.402) 8.786 7.887 ( -3.852 3.606 2.779) 5.964 8.190 ( -5.929 6.500 -3.155) 9.347 8.474 ( 5.643 -2.860 -0.823) 6.379 8.518 ( 1.428 3.320 3.976) 5.373 8.544 ( 4.332 -4.467 -4.910) 7.926 8.589 ( 1.401 0.146 2.686) 3.033 8.665 ( 3.022 -0.191 3.056) 4.302 8.770 ( -3.340 0.467 1.125) 3.555 8.820 ( -1.153 -2.875 -1.725) 3.545 8.842 ( -4.348 0.089 -0.566) 4.386 8.888 ( 2.249 2.848 -0.185) 3.633 8.965 ( 2.387 1.499 -6.467) 7.055 9.028 ( 2.655 -0.212 2.374) 3.568 9.063 ( 2.750 -4.509 -2.024) 5.656 9.130 ( 1.720 0.971 -0.920) 2.180 9.222 ( 3.268 1.522 -3.106) 4.759 9.308 ( 2.500 -0.591 0.871) 2.712 9.367 ( -2.424 8.217 -3.408) 9.220 9.438 ( 0.597 -1.573 -1.621) 2.336 9.491 ( 5.322 3.578 4.491) 7.829 9.654 ( 5.977 1.050 2.905) 6.728 9.753 ( -3.173 6.725 -3.393) 8.173 9.911 ( -2.415 4.883 -2.752) 6.103 9.975 ( -3.499 -8.281 2.654) 9.373 10.085 ( -9.857 -2.790 0.003) 10.244 10.247 ( -0.863 1.403 6.233) 6.447 10.297 ( -2.993 1.504 -1.357) 3.614 10.371 ( -0.968 0.652 -0.930) 1.492 10.484 ( -2.681 -7.365 0.300) 7.843 10.635 ( -6.771 -1.296 3.974) 7.958 10.708 ( -5.422 4.823 -6.757) 9.916 10.738 ( 1.703 5.029 -3.909) 6.593 10.901 ( 0.957 -5.062 4.739) 7.000 11.062 ( -0.241 -4.734 7.685) 9.029 11.218 ( -4.690 1.437 -3.257) 5.888 11.550 ( 3.060 3.231 -0.145) 4.452 11.599 ( 6.842 -3.379 -7.966) 11.031 11.730 ( 4.022 -0.638 0.078) 4.074 11.784 ( 8.633 -0.247 1.062) 8.701 11.874 ( 4.681 -10.351 3.754) 11.964 11.902 ( 5.179 0.715 0.685) 5.273 12.004 ( 5.548 -6.343 -3.297) 9.049 12.131 ( 3.816 -5.632 -4.381) 8.092 12.162 ( -0.714 -2.051 0.895) 2.349 12.212 ( 0.645 -2.267 -0.715) 2.463 12.382 ( 6.080 6.413 -4.103) 9.743 12.424 ( 10.459 9.577 -4.785) 14.967 12.858 ( 6.407 -10.260 3.906) 12.712 12.907 ( 1.287 -0.400 9.356) 9.452 13.014 ( 2.898 -2.815 3.430) 5.300 13.128 ( 1.664 -3.425 -1.194) 3.991 13.256 ( 3.187 4.676 2.655) 6.251 13.317 ( 5.044 6.670 3.512) 9.070 13.547 ( 4.674 0.478 -4.305) 6.372 13.668 ( 3.559 2.666 -0.217) 4.453 13.805 ( 7.287 -6.167 3.906) 10.314 14.134 ( 2.446 -6.293 -8.634) 10.960 14.183 ( 4.162 -4.657 -4.605) 7.760 14.295 ( -4.759 -0.717 -1.357) 5.000 14.434 ( -0.746 0.956 -0.561) 1.337 14.639 ( -1.914 4.321 -4.945) 6.840 14.819 ( -6.393 2.353 5.461) 8.731 14.981 ( -2.765 -2.645 2.735) 4.703 15.239 ( -2.554 1.771 -1.488) 3.446 15.415 ( -0.598 -1.869 1.163) 2.281 15.931 ( -7.793 2.381 2.430) 8.503 16.214 ( -4.750 -5.674 1.325) 7.518 16.250 ( -7.382 0.904 -0.354) 7.446 16.328 ( -7.089 -0.498 -1.493) 7.261 20.037 ( 1.696 1.237 -0.573) 2.176 20.093 ( 3.224 2.084 1.449) 4.103 20.221 ( 2.786 -5.263 -2.707) 6.541 20.432 ( 6.770 -13.777 -4.257) 15.930 20.833 ( 2.192 8.120 0.203) 8.413 20.969 ( 2.340 2.978 -1.093) 3.942 21.073 ( 0.746 2.526 1.471) 3.016 21.123 ( 2.403 4.949 -0.695) 5.545 21.295 ( 0.605 0.650 1.787) 1.995 21.388 ( -1.544 17.352 -14.190) 22.468 21.550 ( -1.903 1.873 1.403) 3.016 21.659 ( 0.726 1.605 -1.760) 2.490 21.922 ( 4.691 -1.527 -0.125) 4.934 21.979 ( 3.564 1.854 0.321) 4.031 22.429 ( -9.998 -11.519 7.500) 16.997 22.628 ( -5.062 -5.689 -3.727) 8.478 22.708 ( -1.405 3.456 1.322) 3.958 22.891 ( -9.715 3.413 5.552) 11.699 23.039 ( 6.007 0.426 8.526) 10.438 23.087 ( 3.679 1.573 -3.536) 5.340 23.102 ( 4.425 0.971 -2.330) 5.094 23.409 ( -9.215 -12.482 9.878) 18.393 23.951 ( -11.965 15.129 4.359) 19.775 24.458 ( -16.287 -1.740 -1.876) 16.486 25.770 ( 2.773 -0.099 -0.046) 2.775 25.797 ( 3.399 0.523 -0.841) 3.540 25.805 ( 2.815 0.309 1.252) 3.096 26.072 ( 3.505 -6.542 -2.645) 7.879 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 21.959 6.644 4.221) 23.327 1.849 ( 17.161 1.672 6.372) 18.382 1.995 ( 11.503 1.694 -4.482) 12.461 2.178 ( -11.619 -1.182 -5.188) 12.779 2.273 ( -5.986 -2.617 -0.634) 6.564 2.325 ( -5.485 0.024 0.770) 5.539 2.354 ( -12.835 -0.900 -2.491) 13.106 2.444 ( -0.685 -2.042 -1.102) 2.420 2.490 ( -2.022 -7.150 -2.642) 7.886 2.546 ( 2.897 0.014 -0.703) 2.981 2.615 ( -2.178 -5.011 0.135) 5.466 2.645 ( 3.136 -0.814 -1.682) 3.650 2.729 ( -0.644 -0.724 0.499) 1.090 2.769 ( -0.227 -3.795 -2.012) 4.301 2.797 ( -0.626 -1.082 -1.241) 1.761 2.805 ( 1.957 0.375 -2.378) 3.102 2.949 ( 4.199 0.775 -0.026) 4.270 2.961 ( 4.757 1.611 1.779) 5.328 3.033 ( -0.244 1.475 -1.861) 2.387 3.118 ( 0.524 -1.496 0.228) 1.602 3.218 ( 1.936 -0.284 2.022) 2.813 3.265 ( -2.730 1.219 1.607) 3.395 3.337 ( 0.006 -3.943 -0.267) 3.952 3.347 ( 0.089 2.817 0.952) 2.975 3.437 ( 2.419 -1.053 2.430) 3.587 3.476 ( -0.236 2.039 5.435) 5.810 3.507 ( -1.027 6.399 -2.238) 6.856 3.575 ( 3.215 1.562 0.736) 3.649 3.655 ( 0.995 6.320 2.287) 6.795 3.682 ( 9.041 3.967 -2.047) 10.083 3.708 ( 4.102 2.759 -0.706) 4.994 3.802 ( 9.258 8.325 1.205) 12.509 3.902 ( -4.300 5.990 -2.308) 7.727 3.969 ( 2.308 -5.102 0.251) 5.606 4.119 ( 1.187 2.738 1.076) 3.173 4.159 ( 10.744 1.271 -9.879) 14.651 4.170 ( 0.481 -0.662 5.802) 5.859 4.247 ( -3.595 1.060 3.718) 5.279 4.303 ( -1.823 -1.652 3.021) 3.896 4.387 ( -4.407 5.934 -0.146) 7.393 4.421 ( -1.316 1.872 -0.834) 2.435 4.482 ( -4.274 -1.794 1.414) 4.846 4.537 ( -5.998 -1.464 0.633) 6.206 4.725 ( 6.160 1.564 4.492) 7.783 4.815 ( 2.195 -4.904 -2.322) 5.853 4.850 ( -0.356 0.335 -3.157) 3.194 4.933 ( 4.732 -3.130 0.384) 5.686 4.953 ( 2.506 -1.572 -1.783) 3.454 5.065 ( -1.536 -2.671 -4.276) 5.270 5.098 ( -1.489 -3.283 -2.913) 4.635 5.187 ( -1.087 2.511 1.759) 3.253 5.269 ( 2.256 3.037 -6.862) 7.836 5.320 ( -7.622 2.746 -0.535) 8.119 5.425 ( 0.650 2.641 4.128) 4.944 5.480 ( -2.415 4.370 -3.239) 5.952 5.504 ( -4.632 1.150 2.631) 5.449 5.643 ( -2.903 -2.510 -2.720) 4.704 5.665 ( 1.757 -1.473 -0.037) 2.293 5.719 ( 4.542 5.412 4.685) 8.477 5.782 ( -1.013 -4.146 -1.324) 4.469 5.884 ( -2.527 -0.486 3.598) 4.423 5.943 ( -3.843 -0.520 -0.753) 3.951 5.986 ( -8.395 2.401 -0.933) 8.781 6.025 ( -6.014 -0.666 -0.636) 6.084 6.069 ( -5.893 5.161 0.559) 7.853 6.230 ( 0.393 2.475 1.078) 2.728 6.419 ( -0.464 -1.866 0.316) 1.948 6.532 ( 3.415 -1.268 -0.258) 3.652 6.738 ( 3.826 -4.383 -0.037) 5.817 6.788 ( -4.940 -4.540 1.321) 6.838 6.853 ( 2.088 1.529 0.027) 2.588 6.938 ( -0.090 2.286 1.116) 2.546 7.018 ( -0.912 -5.043 -0.574) 5.157 7.044 ( 5.073 -1.253 -0.036) 5.226 7.123 ( 0.310 -3.325 -2.664) 4.272 7.130 ( -3.096 -5.861 -1.293) 6.753 7.338 ( 1.582 -0.528 -1.114) 2.005 7.366 ( -2.680 4.043 3.571) 6.024 7.469 ( -0.105 2.044 1.104) 2.325 7.512 ( -2.163 -2.474 -2.929) 4.402 7.631 ( -0.620 5.160 1.428) 5.389 7.677 ( 4.220 -1.124 -6.146) 7.540 7.711 ( -2.809 -0.699 6.268) 6.904 7.838 ( -2.796 3.218 1.757) 4.611 8.099 ( -1.982 9.621 -1.876) 10.000 8.535 ( 0.498 -1.559 2.889) 3.321 8.553 ( 0.783 -3.468 -3.285) 4.840 8.566 ( 0.603 0.417 4.993) 5.046 8.618 ( 0.709 -1.459 -2.732) 3.177 8.651 ( -1.790 0.931 -4.736) 5.148 8.752 ( 1.109 -0.562 5.995) 6.123 8.806 ( -1.313 -0.468 -1.090) 1.769 8.856 ( 2.657 -0.431 0.808) 2.811 8.944 ( 0.199 -0.522 -2.318) 2.384 8.957 ( 3.287 4.942 0.055) 5.936 9.048 ( 0.065 -0.605 0.041) 0.610 9.107 ( 2.112 1.968 -1.557) 3.280 9.149 ( 0.392 -1.327 0.605) 1.510 9.202 ( -4.176 -1.444 -2.118) 4.900 9.263 ( -0.059 -0.119 -2.405) 2.408 9.422 ( 3.815 1.215 0.826) 4.088 9.475 ( 2.720 0.418 1.318) 3.051 9.586 ( -0.113 3.816 -0.669) 3.876 9.726 ( 1.951 4.982 2.303) 5.825 9.771 ( 6.654 -2.658 -3.074) 7.797 9.817 ( -3.495 6.099 -0.354) 7.039 9.917 ( -7.987 -1.501 2.849) 8.612 9.963 ( -1.650 -5.299 0.538) 5.576 10.244 ( -0.871 1.931 0.353) 2.148 10.304 ( 1.481 4.829 0.869) 5.126 10.313 ( -2.454 -3.201 0.941) 4.142 10.506 ( -0.164 -4.102 -4.565) 6.139 10.523 ( -1.836 -2.112 1.146) 3.024 10.580 ( -4.222 0.285 1.048) 4.360 10.779 ( 2.939 10.715 -2.000) 11.289 10.873 ( -3.549 -7.566 1.806) 8.550 11.075 ( -2.956 -0.855 0.849) 3.192 11.227 ( 4.154 -1.795 4.011) 6.047 11.562 ( -0.511 0.008 -4.281) 4.311 11.592 ( -0.323 3.654 -2.029) 4.192 11.784 ( 1.571 -2.533 -1.290) 3.248 11.928 ( 7.341 -2.836 2.302) 8.200 11.964 ( 2.995 -10.867 2.329) 11.510 11.988 ( 2.354 -2.250 -0.440) 3.286 12.083 ( -3.973 -5.475 -0.003) 6.764 12.101 ( 1.276 1.113 -4.068) 4.407 12.173 ( 1.506 -5.940 0.084) 6.129 12.225 ( 1.107 -3.145 0.986) 3.477 12.428 ( 2.403 7.537 -2.011) 8.163 12.569 ( 5.927 9.217 -2.144) 11.166 12.895 ( -0.875 -5.878 0.251) 5.948 13.012 ( 2.943 -6.322 5.467) 8.861 13.066 ( -0.853 -6.508 0.071) 6.564 13.161 ( 2.539 -3.264 -0.401) 4.155 13.303 ( 2.486 7.977 -1.157) 8.435 13.473 ( 2.472 4.475 14.044) 14.945 13.564 ( 2.323 0.751 -10.065) 10.357 13.725 ( 2.907 4.353 -1.339) 5.403 13.891 ( 0.229 -5.653 0.649) 5.694 14.115 ( 1.323 2.505 -3.047) 4.160 14.214 ( -1.926 4.037 -0.209) 4.478 14.258 ( 2.323 -4.638 2.051) 5.578 14.445 ( 3.766 0.885 -2.533) 4.624 14.551 ( -4.946 4.111 -2.306) 6.832 14.752 ( -3.198 1.375 2.396) 4.226 14.944 ( -1.730 -3.253 0.541) 3.724 15.189 ( -1.576 1.558 -0.945) 2.409 15.408 ( -0.487 -2.993 0.329) 3.050 15.837 ( -3.310 2.468 1.207) 4.302 16.140 ( -3.142 0.914 0.009) 3.273 16.160 ( -2.247 -6.365 0.369) 6.760 16.221 ( -3.059 -1.111 -0.736) 3.337 20.060 ( 0.885 0.772 -0.249) 1.200 20.146 ( 1.438 2.161 0.681) 2.683 20.242 ( 0.971 -6.633 -1.315) 6.831 20.486 ( 1.709 -11.571 -1.463) 11.788 20.890 ( 2.888 10.117 0.067) 10.521 21.010 ( 2.933 2.763 -1.130) 4.185 21.060 ( -2.473 4.201 0.788) 4.938 21.144 ( -0.383 7.923 -0.965) 7.991 21.253 ( -0.571 2.104 -0.714) 2.294 21.403 ( 2.978 12.358 -1.632) 12.816 21.510 ( -1.947 -1.190 -0.231) 2.293 21.633 ( -1.363 5.197 -0.876) 5.444 22.049 ( 7.474 -6.806 -0.332) 10.114 22.129 ( 9.872 -4.281 3.935) 11.458 22.280 ( -8.437 -8.313 2.327) 12.071 22.438 ( -11.553 -5.847 -4.592) 13.738 22.709 ( -0.087 1.351 1.056) 1.717 22.783 ( -3.177 0.539 1.441) 3.530 23.080 ( -0.400 1.260 1.600) 2.075 23.178 ( 4.686 2.587 -2.692) 5.992 23.252 ( 7.103 1.204 1.693) 7.400 23.344 ( -3.306 -9.633 4.911) 11.306 23.785 ( -6.750 12.347 1.752) 14.181 24.187 ( -9.685 -1.901 -1.670) 10.010 25.808 ( 1.245 -0.272 -0.080) 1.277 25.838 ( 1.384 -0.793 -0.356) 1.634 25.849 ( 1.075 1.881 0.634) 2.258 26.098 ( 0.911 -4.572 -0.837) 4.737 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.000 30.492 0.000) 30.492 1.188 ( 0.000 30.200 0.000) 30.200 1.685 ( 0.000 -24.047 0.000) 24.047 1.695 ( 0.000 -25.915 0.000) 25.915 2.070 ( 0.000 36.270 0.000) 36.270 2.291 ( 0.000 -4.921 0.000) 4.921 2.316 ( 0.000 17.375 0.000) 17.375 2.342 ( 0.000 3.371 0.000) 3.371 2.427 ( 0.000 -3.247 0.000) 3.247 2.535 ( 0.000 1.432 0.000) 1.432 2.566 ( 0.000 -2.030 0.000) 2.030 2.647 ( 0.000 -1.100 0.000) 1.100 2.667 ( 0.000 4.191 0.000) 4.191 2.760 ( 0.000 -0.480 0.000) 0.480 2.803 ( 0.000 -2.369 0.000) 2.369 2.829 ( 0.000 2.627 0.000) 2.627 2.834 ( 0.000 -4.458 0.000) 4.458 3.038 ( 0.000 -3.640 0.000) 3.640 3.091 ( 0.000 5.210 0.000) 5.210 3.146 ( 0.000 0.234 0.000) 0.234 3.189 ( 0.000 -2.227 0.000) 2.227 3.218 ( 0.000 -26.521 0.000) 26.521 3.289 ( 0.000 3.930 0.000) 3.930 3.320 ( 0.000 2.718 0.000) 2.718 3.349 ( 0.000 -0.632 0.000) 0.632 3.355 ( 0.000 -0.262 0.000) 0.262 3.427 ( 0.000 1.053 0.000) 1.053 3.470 ( 0.000 -0.788 0.000) 0.788 3.570 ( 0.000 0.277 0.000) 0.277 3.618 ( 0.000 -7.099 0.000) 7.099 3.699 ( 0.000 0.701 0.000) 0.701 3.727 ( 0.000 -4.007 0.000) 4.007 3.837 ( 0.000 2.459 0.000) 2.459 3.870 ( 0.000 -1.925 0.000) 1.925 3.929 ( 0.000 11.914 0.000) 11.914 4.072 ( 0.000 -0.866 0.000) 0.866 4.078 ( 0.000 5.082 0.000) 5.082 4.161 ( 0.000 0.448 0.000) 0.448 4.165 ( 0.000 -0.764 0.000) 0.764 4.221 ( 0.000 -10.078 0.000) 10.078 4.387 ( 0.000 4.530 0.000) 4.530 4.415 ( 0.000 -1.381 0.000) 1.381 4.533 ( 0.000 1.135 0.000) 1.135 4.597 ( 0.000 -1.651 0.000) 1.651 4.695 ( 0.000 0.897 0.000) 0.897 4.768 ( 0.000 -7.680 0.000) 7.680 4.862 ( 0.000 6.804 0.000) 6.804 4.955 ( 0.000 -0.961 0.000) 0.961 5.064 ( 0.000 5.048 0.000) 5.048 5.163 ( 0.000 3.826 0.000) 3.826 5.178 ( 0.000 -5.487 0.000) 5.487 5.230 ( 0.000 -2.060 0.000) 2.060 5.358 ( 0.000 -2.602 0.000) 2.602 5.416 ( 0.000 -5.957 0.000) 5.957 5.590 ( 0.000 7.887 0.000) 7.887 5.720 ( 0.000 -2.707 0.000) 2.707 5.794 ( 0.000 -1.159 0.000) 1.159 5.829 ( 0.000 -5.256 0.000) 5.256 6.030 ( 0.000 1.306 0.000) 1.306 6.036 ( 0.000 0.931 0.000) 0.931 6.139 ( 0.000 4.010 0.000) 4.010 6.178 ( 0.000 0.512 0.000) 0.512 6.334 ( 0.000 5.442 0.000) 5.442 6.394 ( 0.000 3.079 0.000) 3.079 6.427 ( 0.000 -0.097 0.000) 0.097 6.457 ( 0.000 -3.741 0.000) 3.741 6.488 ( 0.000 3.698 0.000) 3.698 6.554 ( 0.000 -2.740 0.000) 2.740 6.682 ( 0.000 5.459 0.000) 5.459 6.746 ( 0.000 7.099 0.000) 7.099 6.797 ( 0.000 -4.395 0.000) 4.395 6.856 ( 0.000 -1.848 0.000) 1.848 6.920 ( 0.000 -7.746 0.000) 7.746 6.927 ( 0.000 -6.145 0.000) 6.145 7.067 ( 0.000 1.794 0.000) 1.794 7.093 ( 0.000 -1.431 0.000) 1.431 7.314 ( 0.000 2.120 0.000) 2.120 7.363 ( 0.000 -2.542 0.000) 2.542 7.594 ( 0.000 1.660 0.000) 1.660 7.645 ( 0.000 -3.216 0.000) 3.216 7.830 ( 0.000 8.503 0.000) 8.503 7.903 ( 0.000 1.476 0.000) 1.476 7.992 ( 0.000 -1.973 0.000) 1.973 8.002 ( 0.000 -3.407 0.000) 3.407 8.270 ( 0.000 0.234 0.000) 0.234 8.299 ( 0.000 -3.560 0.000) 3.560 8.457 ( 0.000 4.990 0.000) 4.990 8.519 ( 0.000 -0.625 0.000) 0.625 8.566 ( 0.000 6.528 0.000) 6.528 8.681 ( 0.000 -7.882 0.000) 7.882 8.699 ( 0.000 1.387 0.000) 1.387 8.779 ( 0.000 -5.435 0.000) 5.435 8.792 ( 0.000 -2.402 0.000) 2.402 8.797 ( 0.000 -0.719 0.000) 0.719 8.901 ( 0.000 3.820 0.000) 3.820 8.996 ( 0.000 -5.377 0.000) 5.377 9.080 ( 0.000 2.846 0.000) 2.846 9.114 ( 0.000 -0.299 0.000) 0.299 9.225 ( 0.000 3.010 0.000) 3.010 9.233 ( 0.000 0.967 0.000) 0.967 9.483 ( 0.000 1.998 0.000) 1.998 9.501 ( 0.000 -1.296 0.000) 1.296 9.549 ( 0.000 4.638 0.000) 4.638 9.610 ( 0.000 0.003 0.000) 0.003 9.798 ( 0.000 4.129 0.000) 4.129 9.908 ( 0.000 -4.894 0.000) 4.894 10.083 ( 0.000 17.415 0.000) 17.415 10.312 ( 0.000 -2.366 0.000) 2.366 10.360 ( 0.000 -0.234 0.000) 0.234 10.404 ( 0.000 10.639 0.000) 10.639 10.424 ( 0.000 -10.293 0.000) 10.293 10.636 ( 0.000 -11.388 0.000) 11.388 10.676 ( 0.000 1.759 0.000) 1.759 10.737 ( 0.000 5.241 0.000) 5.241 10.766 ( 0.000 -4.412 0.000) 4.412 10.860 ( 0.000 -5.133 0.000) 5.133 10.959 ( 0.000 -2.165 0.000) 2.165 10.978 ( 0.000 -6.744 0.000) 6.744 11.483 ( 0.000 7.798 0.000) 7.798 11.566 ( 0.000 -0.040 0.000) 0.040 11.617 ( 0.000 1.838 0.000) 1.838 11.649 ( 0.000 -1.845 0.000) 1.845 11.702 ( 0.000 3.251 0.000) 3.251 11.786 ( 0.000 5.538 0.000) 5.538 11.798 ( 0.000 -8.677 0.000) 8.677 11.936 ( 0.000 -9.178 0.000) 9.178 12.054 ( 0.000 2.277 0.000) 2.277 12.104 ( 0.000 -3.021 0.000) 3.021 12.299 ( 0.000 4.724 0.000) 4.724 12.349 ( 0.000 -0.484 0.000) 0.484 12.592 ( 0.000 8.172 0.000) 8.172 12.712 ( 0.000 -4.311 0.000) 4.311 12.789 ( 0.000 -2.335 0.000) 2.335 12.807 ( 0.000 -5.025 0.000) 5.025 13.244 ( 0.000 3.538 0.000) 3.538 13.283 ( 0.000 0.299 0.000) 0.299 13.514 ( 0.000 -0.501 0.000) 0.501 13.515 ( 0.000 -1.396 0.000) 1.396 13.634 ( 0.000 3.282 0.000) 3.282 13.681 ( 0.000 -1.933 0.000) 1.933 14.303 ( 0.000 -2.189 0.000) 2.189 14.303 ( 0.000 -1.343 0.000) 1.343 14.568 ( 0.000 8.513 0.000) 8.513 14.705 ( 0.000 -5.127 0.000) 5.127 14.970 ( 0.000 3.552 0.000) 3.552 15.009 ( 0.000 -0.485 0.000) 0.485 15.349 ( 0.000 2.248 0.000) 2.248 15.389 ( 0.000 -1.742 0.000) 1.742 16.172 ( 0.000 4.266 0.000) 4.266 16.257 ( 0.000 -4.945 0.000) 4.945 16.483 ( 0.000 2.483 0.000) 2.483 16.525 ( 0.000 -2.044 0.000) 2.044 20.009 ( 0.000 1.795 0.000) 1.795 20.047 ( 0.000 -2.188 0.000) 2.188 20.098 ( 0.000 1.355 0.000) 1.355 20.129 ( 0.000 -2.018 0.000) 2.018 20.908 ( 0.000 5.158 0.000) 5.158 20.996 ( 0.000 -4.212 0.000) 4.212 21.027 ( 0.000 5.302 0.000) 5.302 21.105 ( 0.000 -1.022 0.000) 1.022 21.237 ( 0.000 6.889 0.000) 6.889 21.385 ( 0.000 -6.919 0.000) 6.919 21.708 ( 0.000 3.179 0.000) 3.179 21.758 ( 0.000 -2.013 0.000) 2.013 21.897 ( 0.000 5.693 0.000) 5.693 22.056 ( 0.000 -10.934 0.000) 10.934 22.689 ( 0.000 1.306 0.000) 1.306 22.698 ( 0.000 1.063 0.000) 1.063 22.747 ( 0.000 -1.820 0.000) 1.820 22.774 ( 0.000 -3.940 0.000) 3.940 23.066 ( 0.000 0.812 0.000) 0.812 23.084 ( 0.000 -1.252 0.000) 1.252 23.316 ( 0.000 8.044 0.000) 8.044 23.458 ( 0.000 -7.529 0.000) 7.529 24.495 ( 0.000 18.300 0.000) 18.300 24.799 ( 0.000 -14.722 0.000) 14.722 25.706 ( 0.000 0.473 0.000) 0.473 25.707 ( 0.000 0.514 0.000) 0.514 25.716 ( 0.000 -0.536 0.000) 0.536 25.717 ( 0.000 -0.569 0.000) 0.569 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 10.898 25.437 -2.596) 27.795 1.331 ( 12.863 25.457 3.723) 28.765 1.699 ( 3.763 -21.092 -6.176) 22.298 1.777 ( 7.987 -22.630 3.532) 24.256 2.221 ( 11.591 16.748 4.041) 20.765 2.289 ( 0.576 3.360 -3.632) 4.981 2.318 ( 3.709 7.099 -1.559) 8.160 2.456 ( 7.212 2.181 -3.126) 8.157 2.518 ( 9.833 5.261 2.480) 11.425 2.545 ( 0.909 1.614 -1.876) 2.636 2.609 ( 2.366 -2.604 2.817) 4.507 2.663 ( 2.212 0.815 0.695) 2.458 2.714 ( 2.558 2.906 -1.144) 4.037 2.749 ( -0.701 0.742 2.008) 2.253 2.817 ( 0.187 2.499 -1.908) 3.150 2.842 ( 4.519 -0.670 5.303) 7.000 2.875 ( 1.701 -1.520 1.775) 2.890 2.998 ( -4.029 1.549 -0.085) 4.318 3.027 ( -5.061 -1.185 -3.007) 6.005 3.081 ( -5.414 -3.848 -1.446) 6.798 3.152 ( -2.560 -1.475 1.242) 3.205 3.207 ( -3.904 4.899 -3.069) 6.976 3.256 ( 2.195 -11.953 3.440) 12.630 3.271 ( -5.485 -2.876 -2.290) 6.603 3.388 ( 2.492 -2.665 0.417) 3.672 3.404 ( -0.048 -1.314 -0.168) 1.325 3.467 ( 6.163 2.457 -0.281) 6.641 3.534 ( 7.302 -2.529 0.278) 7.732 3.568 ( 2.317 3.035 -0.185) 3.822 3.662 ( 4.889 -5.361 1.249) 7.362 3.719 ( 1.496 -1.427 -3.817) 4.341 3.742 ( 1.370 -4.643 -2.967) 5.678 3.868 ( 0.712 1.323 2.628) 3.028 3.905 ( 0.863 -1.952 3.673) 4.248 3.971 ( 4.904 12.917 0.263) 13.819 4.058 ( -1.895 1.990 4.015) 4.865 4.077 ( 0.386 1.261 0.024) 1.319 4.137 ( 0.628 1.839 -2.337) 3.039 4.181 ( 1.063 -4.184 0.253) 4.325 4.272 ( 3.253 -9.445 0.871) 10.027 4.425 ( 4.331 3.673 -1.059) 5.777 4.482 ( 5.682 -2.486 0.178) 6.205 4.581 ( 1.255 2.897 -0.451) 3.189 4.631 ( 1.025 -1.613 -1.309) 2.316 4.708 ( 5.509 1.763 0.597) 5.815 4.778 ( 1.643 -4.924 -0.825) 5.256 4.929 ( 3.868 2.467 4.319) 6.301 4.941 ( -3.729 2.665 -0.446) 4.605 5.064 ( 3.471 0.685 -4.284) 5.556 5.136 ( -1.346 -5.858 -4.580) 7.556 5.160 ( 1.708 3.213 -1.098) 3.801 5.216 ( 1.252 -1.781 -5.941) 6.327 5.349 ( -0.606 2.921 5.183) 5.980 5.433 ( -1.864 -6.023 3.218) 7.078 5.545 ( -2.163 4.064 -3.285) 5.655 5.643 ( -4.979 -3.399 -3.715) 7.081 5.771 ( -3.115 0.802 2.412) 4.020 5.827 ( -2.589 -4.933 1.802) 5.855 5.964 ( -7.897 1.419 0.612) 8.046 5.972 ( -5.452 0.680 0.991) 5.583 6.036 ( -9.367 2.848 1.933) 9.980 6.080 ( -9.620 -1.659 1.698) 9.908 6.332 ( -1.977 3.864 -2.800) 5.165 6.363 ( -4.582 0.864 -2.937) 5.511 6.377 ( 0.398 6.331 1.640) 6.552 6.448 ( -4.494 0.596 1.170) 4.682 6.530 ( 2.958 -1.735 0.490) 3.464 6.559 ( -8.070 -3.297 0.443) 8.729 6.719 ( 0.060 6.633 0.057) 6.633 6.750 ( 4.194 2.224 -0.332) 4.759 6.790 ( 5.706 2.989 -2.495) 6.908 6.865 ( 0.796 -4.970 2.108) 5.457 6.905 ( 0.366 -6.682 -0.245) 6.696 6.949 ( -1.487 -7.439 1.591) 7.751 7.067 ( 2.868 3.454 -2.671) 5.224 7.104 ( 1.239 -0.398 -1.435) 1.937 7.370 ( 3.783 2.188 1.723) 4.697 7.397 ( 0.578 -0.249 -2.837) 2.906 7.558 ( -4.202 1.761 -0.529) 4.587 7.589 ( -1.616 0.234 -10.921) 11.042 7.709 ( -12.402 2.016 11.859) 17.278 7.768 ( -14.240 -1.995 1.073) 14.419 7.853 ( -4.505 3.196 1.754) 5.795 7.941 ( -4.187 -3.390 5.209) 7.494 8.345 ( 4.460 1.177 -1.636) 4.894 8.384 ( 0.408 -2.976 -1.747) 3.475 8.465 ( 2.265 5.059 0.348) 5.554 8.508 ( 2.535 1.010 2.176) 3.490 8.587 ( -0.236 2.066 -0.362) 2.111 8.634 ( -1.383 -3.345 -2.512) 4.406 8.721 ( 1.265 1.581 6.066) 6.395 8.802 ( 1.072 -4.997 3.392) 6.134 8.825 ( 2.066 -0.468 0.270) 2.135 8.849 ( 3.967 -2.578 0.314) 4.741 8.939 ( 2.867 1.951 -4.613) 5.771 8.985 ( 0.059 -2.065 -7.526) 7.805 9.047 ( -0.622 3.107 -1.481) 3.498 9.107 ( 1.172 -3.050 -2.142) 3.907 9.276 ( 2.086 3.768 0.222) 4.312 9.283 ( 3.566 2.956 2.255) 5.152 9.442 ( 0.814 1.777 -3.832) 4.302 9.476 ( 0.279 -0.202 2.016) 2.046 9.591 ( 1.360 6.772 -1.388) 7.045 9.650 ( -0.960 3.440 0.421) 3.596 9.797 ( 4.207 -6.643 -2.473) 8.243 9.831 ( -6.444 -6.180 0.391) 8.937 10.057 ( -1.294 13.479 -2.950) 13.859 10.236 ( -8.261 -5.309 -1.303) 9.906 10.292 ( -6.850 5.074 2.901) 9.005 10.356 ( -2.262 0.797 -1.768) 2.979 10.401 ( -2.109 -1.330 1.687) 3.010 10.492 ( -7.979 -7.196 -0.871) 10.780 10.681 ( -2.261 -1.664 3.863) 4.776 10.717 ( -0.212 -3.531 -0.329) 3.552 10.837 ( 5.731 7.774 0.627) 9.678 10.934 ( -0.007 2.984 -3.435) 4.550 10.994 ( -0.557 -3.312 2.147) 3.986 11.078 ( 9.660 -9.846 -0.702) 13.812 11.443 ( 2.408 4.433 -0.774) 5.104 11.557 ( -1.906 -5.732 -1.056) 6.132 11.614 ( 4.429 6.279 5.356) 9.367 11.732 ( 1.655 3.692 -0.663) 4.100 11.775 ( 5.340 -5.159 1.243) 7.528 11.811 ( 0.246 2.043 -0.150) 2.063 11.825 ( 3.587 -2.908 -1.391) 4.823 11.947 ( 3.247 -8.214 -2.838) 9.277 12.115 ( 5.283 2.040 -3.114) 6.463 12.172 ( 8.742 -2.539 -7.674) 11.906 12.322 ( 4.168 4.412 1.005) 6.152 12.382 ( 4.968 -0.803 1.675) 5.304 12.675 ( 3.732 2.104 -3.148) 5.316 12.761 ( 3.237 -4.571 3.405) 6.556 12.909 ( 7.517 -1.341 6.702) 10.160 12.932 ( 10.940 -3.712 5.369) 12.739 13.239 ( 0.773 3.775 2.958) 4.858 13.295 ( 3.870 -0.826 1.306) 4.167 13.494 ( 0.844 3.146 -1.312) 3.512 13.574 ( 2.744 -3.891 -1.084) 4.883 13.666 ( 3.723 3.795 0.048) 5.316 13.757 ( 9.026 -6.840 -4.361) 12.135 14.255 ( -3.569 0.637 -0.076) 3.626 14.295 ( -2.829 -3.473 2.890) 5.331 14.562 ( -0.023 8.768 -1.972) 8.987 14.697 ( 0.289 -4.567 -3.614) 5.831 14.949 ( -3.576 3.045 2.860) 5.498 14.983 ( -2.899 -0.804 0.952) 3.155 15.333 ( -1.340 2.859 -1.025) 3.320 15.384 ( -0.663 -2.382 0.109) 2.475 16.116 ( -6.240 4.348 1.687) 7.790 16.205 ( -5.780 -5.187 1.567) 7.923 16.419 ( -6.375 2.148 -0.375) 6.737 16.455 ( -6.695 -1.573 -0.856) 6.930 20.038 ( 2.170 2.120 0.560) 3.085 20.069 ( 1.617 0.123 1.700) 2.350 20.126 ( 2.851 -1.354 -3.028) 4.374 20.157 ( 4.516 -3.785 -1.295) 6.033 20.924 ( 1.878 5.703 -0.409) 6.018 21.010 ( 1.308 -1.690 -1.428) 2.570 21.032 ( 1.188 2.986 1.101) 3.397 21.111 ( 0.623 -2.648 0.767) 2.826 21.299 ( 5.258 9.113 3.060) 10.957 21.457 ( 6.016 -6.427 3.122) 9.341 21.681 ( -2.516 2.406 -1.076) 3.644 21.706 ( -4.514 0.507 -3.929) 6.005 21.887 ( -0.590 3.665 0.216) 3.718 22.021 ( -2.702 -9.369 -2.150) 9.985 22.563 ( -5.573 4.447 -10.645) 12.812 22.640 ( -4.034 -3.866 -3.953) 6.844 22.812 ( 3.634 2.515 -1.954) 4.832 22.860 ( 5.620 -2.636 1.782) 6.459 23.037 ( -1.576 3.918 -7.046) 8.215 23.065 ( 1.446 -0.214 -5.721) 5.905 23.200 ( -14.130 6.002 19.551) 24.858 23.345 ( -13.008 -9.233 9.174) 18.402 24.414 ( -9.572 15.811 2.441) 18.643 24.657 ( -13.207 -10.137 0.238) 16.650 25.726 ( 2.128 0.461 -0.083) 2.179 25.737 ( 2.211 -0.705 -0.067) 2.322 25.760 ( 4.955 2.279 -0.010) 5.454 25.826 ( 8.576 -5.396 -0.773) 10.162 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 18.007 15.125 0.218) 23.517 1.635 ( 15.228 17.371 7.089) 24.164 1.785 ( 10.330 -11.503 -5.345) 16.358 1.980 ( 9.685 -18.372 6.281) 21.697 2.265 ( -1.298 3.297 -3.408) 4.916 2.333 ( 0.927 -4.581 -3.089) 5.602 2.431 ( 3.933 2.273 -2.644) 5.256 2.481 ( 1.297 -3.025 -5.452) 6.369 2.524 ( 0.038 2.992 -2.901) 4.167 2.589 ( -3.571 -3.647 -1.823) 5.420 2.677 ( -0.761 1.990 -0.967) 2.339 2.696 ( -0.496 0.137 -0.852) 0.995 2.710 ( -2.747 2.369 -5.288) 6.412 2.762 ( -8.040 -1.213 -5.094) 9.595 2.829 ( 1.255 7.818 -0.304) 7.924 2.881 ( 6.382 3.074 2.590) 7.543 2.907 ( -2.912 -0.788 -5.215) 6.025 2.930 ( 2.165 1.298 3.223) 4.094 3.000 ( 0.336 1.046 3.925) 4.076 3.036 ( 2.534 -2.412 4.481) 5.685 3.162 ( 2.336 1.808 0.365) 2.976 3.205 ( 3.758 -0.467 3.170) 4.938 3.258 ( 8.633 2.220 4.032) 9.783 3.321 ( -0.467 0.909 4.069) 4.196 3.374 ( -3.681 -3.296 1.881) 5.287 3.400 ( 3.659 -4.124 -1.395) 5.687 3.569 ( 3.332 2.707 1.770) 4.643 3.580 ( 1.297 0.157 2.512) 2.831 3.641 ( -0.956 4.184 -4.886) 6.503 3.732 ( 2.886 -2.775 -1.971) 4.463 3.779 ( 3.209 3.938 1.318) 5.248 3.805 ( 11.359 2.280 -3.351) 12.061 3.890 ( 0.305 -1.779 0.460) 1.863 3.950 ( 6.540 -5.988 -2.605) 9.242 4.054 ( -0.494 2.883 4.146) 5.074 4.097 ( 4.234 -0.269 2.285) 4.819 4.123 ( 5.737 3.980 -1.712) 7.189 4.161 ( 4.105 7.705 4.228) 9.700 4.239 ( 3.161 -4.244 0.913) 5.370 4.320 ( 1.602 -8.874 4.624) 10.134 4.489 ( 1.193 3.423 -1.123) 3.795 4.526 ( 0.336 -0.384 2.008) 2.072 4.575 ( -1.352 1.333 0.562) 1.980 4.634 ( -1.009 -3.833 -1.515) 4.243 4.756 ( -2.448 0.748 1.788) 3.123 4.813 ( -0.479 -4.784 -3.042) 5.689 4.863 ( 1.878 5.083 -2.184) 5.842 4.964 ( 0.844 -3.819 -3.582) 5.304 5.113 ( 2.499 3.517 -3.115) 5.322 5.165 ( 2.510 -1.084 -5.361) 6.017 5.193 ( 2.273 1.153 -4.412) 5.095 5.210 ( 3.756 -1.533 -4.202) 5.841 5.422 ( 0.834 1.618 -1.562) 2.399 5.426 ( 7.069 1.872 1.568) 7.479 5.505 ( 1.937 -1.035 -3.192) 3.875 5.566 ( -0.544 -4.216 -1.501) 4.508 5.695 ( -8.892 2.136 4.100) 10.022 5.743 ( -13.072 0.883 1.940) 13.245 5.779 ( -5.784 0.916 1.304) 5.999 5.861 ( -8.596 -1.585 3.490) 9.412 5.907 ( -5.285 -0.432 0.863) 5.372 5.925 ( -6.899 -2.905 2.660) 7.944 6.200 ( -10.336 1.437 -1.634) 10.563 6.229 ( -9.708 -1.371 -2.108) 10.028 6.324 ( -6.209 5.278 0.965) 8.207 6.386 ( -2.507 5.377 2.983) 6.641 6.424 ( -3.208 2.105 -2.676) 4.678 6.568 ( 0.614 -6.608 0.223) 6.640 6.645 ( -6.234 7.940 -0.703) 10.120 6.789 ( -4.881 -6.569 1.233) 8.276 6.839 ( 3.319 3.882 -0.633) 5.147 6.916 ( 2.144 0.548 1.281) 2.557 6.921 ( 0.096 -3.187 -0.049) 3.188 6.961 ( 2.898 -4.862 1.239) 5.794 7.076 ( 0.698 2.626 -2.868) 3.950 7.123 ( -1.577 -2.027 -1.094) 2.791 7.329 ( 0.575 3.056 -2.687) 4.110 7.419 ( -1.147 -3.119 1.350) 3.587 7.510 ( 0.115 0.700 -5.929) 5.971 7.561 ( 4.221 -0.633 -3.131) 5.294 7.578 ( -3.686 1.291 3.281) 5.101 7.660 ( -4.134 -5.044 6.001) 8.862 7.795 ( -4.436 7.220 4.697) 9.688 7.898 ( -4.750 -2.981 5.609) 7.931 8.319 ( -2.483 5.834 -2.169) 6.701 8.397 ( 2.340 -3.997 -1.541) 4.881 8.518 ( 2.802 1.453 -3.510) 4.721 8.569 ( 0.745 -2.806 0.040) 2.903 8.598 ( 3.065 4.578 3.121) 6.331 8.677 ( 4.893 -1.638 -0.019) 5.160 8.748 ( -1.113 0.146 1.116) 1.582 8.808 ( -2.332 2.874 -2.532) 4.484 8.812 ( -2.225 -2.561 3.578) 4.930 8.897 ( 0.663 -4.380 -0.349) 4.444 8.947 ( 0.747 0.504 -1.358) 1.630 8.984 ( 5.116 -2.674 0.046) 5.772 9.073 ( 3.327 3.292 -2.271) 5.202 9.130 ( 3.032 -2.508 -5.175) 6.501 9.280 ( -0.323 4.118 -0.733) 4.195 9.314 ( -1.256 0.231 0.662) 1.439 9.483 ( 2.005 6.184 2.107) 6.834 9.498 ( -1.308 6.419 -1.810) 6.797 9.599 ( 2.422 3.667 1.853) 4.769 9.628 ( 0.736 -3.911 -1.415) 4.224 9.748 ( -1.276 -2.635 -1.243) 3.181 9.854 ( 0.784 -7.677 -2.186) 8.021 10.029 ( 0.481 8.762 -2.927) 9.251 10.083 ( -6.336 1.634 1.030) 6.624 10.219 ( -3.968 -1.794 5.548) 7.053 10.290 ( -4.304 -6.133 -1.060) 7.567 10.363 ( -2.833 1.844 -0.373) 3.400 10.405 ( -0.633 -2.070 0.143) 2.170 10.628 ( -4.936 1.468 1.591) 5.391 10.686 ( -3.121 -4.054 -3.342) 6.111 10.849 ( -4.864 2.741 3.865) 6.790 10.936 ( -0.918 -0.216 3.390) 3.519 10.986 ( 3.201 8.256 -2.390) 9.172 11.212 ( 6.234 -6.697 -2.402) 9.459 11.487 ( -0.463 -3.515 -1.213) 3.747 11.538 ( 1.873 -4.581 -5.046) 7.068 11.740 ( 1.886 3.757 0.967) 4.313 11.778 ( 6.676 1.359 4.218) 8.013 11.815 ( 1.195 0.008 2.822) 3.065 11.887 ( 6.379 -3.698 0.448) 7.387 11.940 ( 7.841 -0.720 2.514) 8.265 12.003 ( 5.099 -6.306 -2.896) 8.611 12.131 ( -1.711 0.357 0.173) 1.756 12.172 ( -2.982 -2.250 -3.058) 4.827 12.508 ( 13.370 6.278 -4.456) 15.428 12.579 ( 12.140 3.869 -1.713) 12.856 12.701 ( 3.692 -1.570 -4.275) 5.862 12.840 ( 3.416 -8.960 1.746) 9.747 12.975 ( -2.028 1.555 1.441) 2.934 13.043 ( 1.212 -4.834 -1.718) 5.272 13.420 ( 12.462 10.820 11.177) 19.933 13.437 ( 3.518 6.955 -3.741) 8.645 13.523 ( 2.179 -2.899 -0.071) 3.627 13.653 ( 9.147 -10.706 4.002) 14.639 13.751 ( 4.502 6.136 0.834) 7.656 13.905 ( 8.861 -11.669 -1.651) 14.745 14.198 ( -2.383 2.658 1.326) 3.808 14.257 ( -2.839 -3.445 2.677) 5.205 14.541 ( -0.063 8.778 -4.198) 9.731 14.663 ( -0.811 -3.002 -5.662) 6.460 14.878 ( -5.770 3.033 2.484) 6.976 14.926 ( -4.608 -2.757 2.616) 5.973 15.291 ( -2.159 3.806 -1.768) 4.720 15.363 ( -1.467 -3.733 -0.531) 4.046 15.997 ( -7.471 4.751 2.383) 9.169 16.099 ( -6.425 -6.313 2.173) 9.266 16.278 ( -7.785 1.774 -0.492) 7.999 16.309 ( -7.702 -1.483 -1.032) 7.911 20.068 ( 1.325 2.302 -0.510) 2.705 20.120 ( 1.678 -2.324 1.357) 3.171 20.159 ( 3.496 2.008 -2.650) 4.824 20.247 ( 5.103 -7.070 -1.077) 8.786 20.967 ( 3.085 5.574 -0.835) 6.425 21.022 ( 1.227 0.570 -1.214) 1.818 21.086 ( 3.430 2.202 1.367) 4.299 21.153 ( 3.208 -2.857 2.302) 4.873 21.426 ( 3.184 12.294 3.573) 13.193 21.567 ( -4.275 1.269 -0.503) 4.487 21.582 ( -0.781 2.682 -4.517) 5.310 21.642 ( 5.196 -3.707 -0.092) 6.383 21.890 ( 0.731 -0.592 0.234) 0.969 21.956 ( -2.472 -6.683 -1.039) 7.201 22.368 ( -8.748 6.547 -6.721) 12.828 22.514 ( -6.489 -7.389 -7.557) 12.402 22.786 ( -2.703 5.087 -2.318) 6.209 22.877 ( -5.352 -3.981 -3.664) 7.611 23.072 ( 3.828 2.431 12.039) 12.865 23.099 ( 6.058 -0.289 0.265) 6.070 23.136 ( -0.707 2.806 2.288) 3.689 23.225 ( -6.699 -7.539 10.430) 14.508 24.204 ( -14.033 12.325 1.858) 18.769 24.382 ( -16.061 -6.993 -0.473) 17.524 25.771 ( 2.606 0.359 -0.116) 2.633 25.783 ( 2.563 -0.910 0.057) 2.721 25.851 ( 4.370 3.896 -0.087) 5.855 25.946 ( 4.956 -6.498 -0.933) 8.225 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 16.192 6.259 3.107) 17.635 1.913 ( 10.612 4.857 4.023) 12.344 2.004 ( 12.174 0.678 1.580) 12.295 2.150 ( 2.844 -10.073 2.518) 10.765 2.180 ( -4.504 2.828 -3.824) 6.550 2.279 ( -1.640 -7.116 0.843) 7.351 2.383 ( -6.507 3.960 -1.578) 7.779 2.385 ( -12.621 1.297 -5.681) 13.901 2.424 ( -5.516 -2.334 -5.433) 8.087 2.492 ( -1.242 -6.745 -1.124) 6.950 2.581 ( 1.138 3.300 -2.080) 4.063 2.637 ( 2.212 -1.560 -4.569) 5.311 2.697 ( -1.561 -1.201 0.289) 1.991 2.704 ( -2.214 -2.037 0.504) 3.050 2.802 ( -2.740 0.313 -1.963) 3.385 2.810 ( -0.979 -0.704 -2.513) 2.787 2.984 ( 3.231 2.903 3.102) 5.337 3.017 ( 3.515 3.393 -0.382) 4.900 3.031 ( 0.374 -1.070 1.424) 1.820 3.085 ( 2.282 -2.683 -0.396) 3.544 3.230 ( 0.400 1.385 0.942) 1.722 3.268 ( -0.684 -2.978 -0.081) 3.057 3.300 ( -1.179 2.553 1.864) 3.374 3.350 ( -0.120 -2.464 4.062) 4.753 3.434 ( 4.943 2.166 -3.495) 6.430 3.492 ( 4.896 -3.368 1.900) 6.239 3.540 ( -3.949 4.055 3.266) 6.535 3.602 ( -2.152 -1.833 1.556) 3.227 3.752 ( 2.073 3.132 0.188) 3.760 3.755 ( 8.771 3.432 -0.283) 9.422 3.855 ( 5.128 8.460 -2.249) 10.145 3.916 ( 4.400 0.441 0.467) 4.446 3.954 ( 3.660 5.591 0.663) 6.715 3.999 ( -0.642 2.485 -1.629) 3.040 4.116 ( 3.202 -1.059 0.498) 3.410 4.144 ( 3.830 -2.726 1.637) 4.978 4.202 ( 2.905 3.710 1.087) 4.836 4.261 ( -2.174 -0.809 -0.366) 2.349 4.309 ( 1.049 2.177 3.040) 3.884 4.372 ( 0.914 -4.320 1.643) 4.712 4.469 ( -4.961 2.626 -1.220) 5.745 4.505 ( -5.346 -1.450 -0.121) 5.541 4.548 ( 5.221 6.146 4.654) 9.311 4.671 ( 7.100 -6.991 2.264) 10.219 4.740 ( 0.480 -0.616 2.429) 2.551 4.796 ( 2.057 -5.548 0.026) 5.917 4.928 ( 2.994 2.154 -1.901) 4.149 4.975 ( -6.325 4.508 -8.448) 11.476 5.001 ( 1.429 -4.716 -5.452) 7.349 5.045 ( -5.406 -2.910 -5.337) 8.135 5.260 ( 2.867 4.734 3.694) 6.654 5.315 ( 4.531 -0.132 0.923) 4.626 5.373 ( -3.797 4.754 -4.758) 7.724 5.481 ( -5.904 -3.826 -6.237) 9.402 5.496 ( -2.215 2.967 -0.229) 3.710 5.548 ( 2.284 -3.415 -3.894) 5.661 5.590 ( -3.205 7.000 5.705) 9.582 5.671 ( 3.444 -0.289 1.448) 3.747 5.728 ( -1.058 -1.239 0.393) 1.676 5.764 ( 1.369 -2.988 2.086) 3.893 5.865 ( -1.760 -1.684 4.277) 4.922 5.870 ( -2.822 -2.133 3.984) 5.327 6.011 ( -9.435 0.817 -2.244) 9.732 6.026 ( -6.933 -0.381 -1.034) 7.020 6.258 ( -2.284 8.221 -0.584) 8.552 6.340 ( -3.757 12.904 1.830) 13.563 6.363 ( -0.754 -3.798 -1.904) 4.315 6.538 ( -0.858 0.834 0.283) 1.229 6.618 ( 1.681 -7.393 -0.096) 7.582 6.683 ( -5.997 -8.263 0.747) 10.238 6.884 ( 1.648 0.809 0.030) 1.836 6.916 ( -1.586 -2.818 -1.045) 3.399 6.936 ( 0.298 0.306 0.429) 0.605 7.008 ( 1.915 -4.523 -0.023) 4.912 7.055 ( -1.606 -0.291 0.795) 1.815 7.081 ( 0.154 -2.023 -1.500) 2.523 7.339 ( 0.690 2.837 -1.315) 3.202 7.410 ( -0.507 -3.921 -0.804) 4.035 7.507 ( 1.328 6.268 -1.134) 6.507 7.547 ( -1.349 3.483 1.338) 3.967 7.637 ( 3.804 -2.465 -2.023) 4.964 7.663 ( 0.028 -4.252 3.829) 5.722 7.754 ( -2.099 6.783 1.891) 7.348 7.845 ( -3.285 -2.551 2.260) 4.734 8.282 ( -0.468 8.783 -1.042) 8.857 8.415 ( 0.436 -6.714 -0.469) 6.744 8.561 ( 2.545 1.837 0.856) 3.253 8.597 ( 1.668 -1.190 2.422) 3.173 8.620 ( -0.902 3.106 -2.002) 3.804 8.664 ( -1.406 -0.604 -6.646) 6.820 8.765 ( 1.200 2.901 2.833) 4.229 8.805 ( -1.817 0.487 2.145) 2.853 8.825 ( 3.174 -2.294 -0.842) 4.005 8.879 ( -1.442 -6.318 1.865) 6.744 8.998 ( 2.931 2.080 2.166) 4.197 9.033 ( 0.414 -0.942 -0.525) 1.155 9.123 ( 3.040 0.623 -2.689) 4.106 9.139 ( 1.007 -0.934 -2.202) 2.596 9.246 ( -2.625 4.211 -1.335) 5.138 9.292 ( -0.828 0.050 0.515) 0.976 9.465 ( 0.672 6.638 -1.175) 6.775 9.524 ( 0.674 4.384 1.746) 4.767 9.607 ( -1.003 -5.003 -0.448) 5.122 9.637 ( -0.893 -7.428 1.156) 7.570 9.793 ( 4.759 1.466 -2.731) 5.680 9.833 ( -0.750 -1.617 0.332) 1.813 9.960 ( -3.922 8.082 -0.560) 9.001 10.076 ( 2.067 8.833 1.122) 9.141 10.146 ( -5.200 -6.280 0.768) 8.190 10.282 ( 0.958 -1.685 2.183) 2.920 10.344 ( 0.829 -4.588 0.569) 4.697 10.386 ( -1.585 -6.022 -1.766) 6.473 10.531 ( -4.210 6.124 -2.001) 7.697 10.655 ( 3.281 -2.210 -1.404) 4.198 10.761 ( -6.987 4.326 3.494) 8.930 10.944 ( -0.835 -10.597 3.662) 11.243 11.040 ( 3.020 16.471 -1.911) 16.854 11.273 ( 1.738 0.626 -0.853) 2.035 11.471 ( 0.535 -11.939 -1.776) 12.082 11.503 ( -1.540 -6.725 -2.342) 7.286 11.772 ( 0.833 6.106 0.380) 6.175 11.874 ( 3.158 -4.169 1.581) 5.464 11.928 ( 5.974 3.406 2.143) 7.203 11.979 ( 2.549 -2.250 0.613) 3.455 12.030 ( -2.578 1.732 0.167) 3.111 12.077 ( 3.110 -2.104 0.568) 3.797 12.087 ( -3.351 -2.747 -1.838) 4.707 12.139 ( 3.442 -5.750 1.461) 6.859 12.618 ( 1.934 12.376 -3.113) 12.907 12.684 ( 3.444 4.472 -2.232) 6.069 12.763 ( 0.997 -6.968 -0.317) 7.046 12.877 ( 0.020 -13.091 -2.420) 13.313 12.987 ( 3.277 3.878 2.037) 5.471 13.084 ( 4.382 -5.281 -1.264) 6.978 13.427 ( -0.508 4.583 -0.859) 4.691 13.488 ( -2.385 -2.286 -1.711) 3.721 13.688 ( 6.950 9.667 3.852) 12.514 13.800 ( 1.547 -3.888 2.661) 4.959 13.830 ( 3.188 8.167 0.816) 8.805 14.050 ( 4.939 -11.770 2.580) 13.022 14.207 ( 1.840 1.434 2.303) 3.278 14.240 ( -0.136 -1.561 0.067) 1.568 14.513 ( 0.361 7.152 -3.865) 8.137 14.601 ( -2.045 -0.657 -3.267) 3.910 14.797 ( -3.510 2.937 1.318) 4.763 14.863 ( -2.926 -4.690 1.263) 5.671 15.244 ( -1.373 4.367 -1.107) 4.710 15.333 ( -1.020 -4.969 -0.544) 5.101 15.906 ( -3.203 5.187 1.166) 6.207 16.023 ( -2.671 -7.472 0.998) 7.998 16.167 ( -3.410 1.612 -0.174) 3.776 16.197 ( -3.362 -1.548 -0.470) 3.731 20.083 ( 0.591 1.977 -0.328) 2.089 20.139 ( 0.443 -4.270 -0.232) 4.300 20.203 ( 1.678 4.108 -0.360) 4.452 20.308 ( 1.853 -7.648 -0.394) 7.879 21.010 ( 1.710 2.941 -0.652) 3.464 21.034 ( 0.522 0.001 -0.585) 0.784 21.179 ( 5.698 6.551 2.971) 9.176 21.245 ( 4.048 -0.768 2.064) 4.608 21.332 ( -7.790 10.027 -3.871) 13.275 21.473 ( -4.755 -4.108 -1.406) 6.439 21.648 ( 6.094 12.425 1.886) 13.966 21.745 ( 1.630 5.351 -1.541) 5.802 21.916 ( 2.212 -6.951 0.095) 7.295 21.955 ( 1.789 -11.671 2.096) 11.992 22.210 ( -3.665 1.822 -0.819) 4.174 22.311 ( -9.284 -7.605 -5.970) 13.404 22.742 ( -1.181 2.030 -0.038) 2.349 22.774 ( -2.835 -1.367 -0.249) 3.157 23.118 ( -1.384 3.065 4.090) 5.295 23.198 ( -2.632 -5.910 6.622) 9.257 23.231 ( 6.605 2.718 -2.465) 7.556 23.264 ( 7.103 -0.712 0.532) 7.158 23.987 ( -8.446 9.577 0.537) 12.781 24.124 ( -9.526 -5.383 -0.768) 10.969 25.807 ( 1.153 0.262 -0.069) 1.184 25.819 ( 1.075 -0.984 0.076) 1.460 25.905 ( 1.571 4.213 -0.044) 4.497 25.998 ( 1.496 -5.775 -0.365) 5.977 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -1.064 0.000 28.350) 28.370 0.608 ( 0.226 0.000 32.201) 32.202 0.843 ( 0.443 0.000 41.594) 41.596 1.882 ( 1.421 0.000 -18.496) 18.550 2.121 ( -1.142 0.000 -12.517) 12.569 2.151 ( 0.774 0.000 -18.248) 18.264 2.350 ( 2.158 0.000 9.044) 9.298 2.382 ( -2.573 0.000 4.692) 5.352 2.449 ( -1.517 0.000 -1.828) 2.375 2.543 ( 2.120 0.000 6.745) 7.070 2.653 ( 0.624 0.000 2.966) 3.031 2.668 ( 0.013 0.000 -3.975) 3.975 2.693 ( -2.480 0.000 -0.915) 2.644 2.747 ( 1.059 0.000 0.480) 1.163 2.794 ( 0.539 0.000 -4.703) 4.734 2.811 ( -1.982 0.000 3.655) 4.157 2.842 ( 1.631 0.000 0.853) 1.841 2.897 ( -1.432 0.000 -0.014) 1.432 3.012 ( -0.941 0.000 -7.196) 7.257 3.085 ( -3.259 0.000 1.072) 3.431 3.124 ( -0.569 0.000 -3.497) 3.543 3.193 ( 2.239 0.000 4.507) 5.033 3.286 ( -0.148 0.000 -2.235) 2.240 3.323 ( 2.135 0.000 0.277) 2.152 3.390 ( -2.045 0.000 2.971) 3.607 3.402 ( -1.497 0.000 0.184) 1.508 3.481 ( 0.143 0.000 1.165) 1.173 3.538 ( 7.703 0.000 -7.334) 10.636 3.572 ( 1.320 0.000 1.715) 2.164 3.592 ( 3.250 0.000 1.484) 3.572 3.714 ( -12.655 0.000 -0.967) 12.691 3.796 ( -4.785 0.000 1.081) 4.905 3.811 ( 2.643 0.000 -2.653) 3.745 3.892 ( 2.599 0.000 0.751) 2.705 3.924 ( -0.175 0.000 -3.805) 3.809 3.969 ( 9.743 0.000 -3.233) 10.265 4.123 ( -7.518 0.000 -0.410) 7.529 4.161 ( -0.572 0.000 -4.531) 4.567 4.240 ( 5.935 0.000 1.411) 6.100 4.317 ( -8.835 0.000 1.246) 8.923 4.464 ( 0.319 0.000 0.617) 0.694 4.518 ( -4.609 0.000 -2.299) 5.151 4.634 ( 7.329 0.000 5.367) 9.084 4.702 ( 1.012 0.000 -1.307) 1.653 4.715 ( 0.784 0.000 0.153) 0.799 4.770 ( 2.062 0.000 1.737) 2.696 4.782 ( 0.991 0.000 -9.372) 9.424 4.849 ( -2.533 0.000 3.701) 4.485 4.943 ( 0.826 0.000 -6.201) 6.256 5.122 ( -1.041 0.000 2.775) 2.964 5.269 ( -2.219 0.000 -2.559) 3.387 5.316 ( 2.430 0.000 1.935) 3.106 5.372 ( 1.869 0.000 3.884) 4.310 5.515 ( 0.086 0.000 -1.524) 1.527 5.691 ( 8.788 0.000 8.147) 11.983 5.704 ( -9.091 0.000 -2.150) 9.342 5.843 ( 1.351 0.000 -0.012) 1.351 5.950 ( 3.784 0.000 -6.557) 7.571 5.991 ( -1.866 0.000 -2.973) 3.510 5.999 ( 2.005 0.000 1.752) 2.662 6.069 ( -1.855 0.000 -0.048) 1.855 6.164 ( 1.536 0.000 5.914) 6.110 6.270 ( -3.417 0.000 -0.569) 3.464 6.286 ( -2.210 0.000 0.305) 2.231 6.341 ( 3.608 0.000 -0.596) 3.656 6.356 ( 0.054 0.000 -2.434) 2.435 6.477 ( -0.156 0.000 5.915) 5.917 6.592 ( 0.122 0.000 0.365) 0.385 6.664 ( -3.271 0.000 -0.014) 3.271 6.691 ( -2.158 0.000 0.579) 2.234 6.761 ( 1.590 0.000 1.721) 2.343 6.896 ( 9.270 0.000 -3.232) 9.817 6.960 ( -12.789 0.000 2.309) 12.996 6.968 ( -1.378 0.000 0.795) 1.591 7.118 ( -2.094 0.000 -0.396) 2.131 7.246 ( 7.936 0.000 -3.360) 8.618 7.256 ( -1.462 0.000 -0.783) 1.658 7.298 ( -2.742 0.000 5.639) 6.271 7.505 ( 3.875 0.000 0.378) 3.893 7.624 ( -3.176 0.000 -2.418) 3.992 7.665 ( 0.980 0.000 5.063) 5.157 7.801 ( 0.901 0.000 -0.902) 1.275 7.888 ( -0.257 0.000 -4.308) 4.316 8.269 ( 3.317 0.000 4.615) 5.683 8.314 ( 9.197 0.000 -6.983) 11.548 8.349 ( -2.055 0.000 2.542) 3.269 8.409 ( -12.356 0.000 -1.997) 12.516 8.416 ( -4.465 0.000 0.398) 4.482 8.492 ( -7.698 0.000 -0.803) 7.740 8.647 ( 6.358 0.000 2.045) 6.678 8.782 ( 13.345 0.000 -8.593) 15.872 8.792 ( 2.076 0.000 6.150) 6.491 8.845 ( -0.958 0.000 -3.320) 3.455 8.940 ( 1.369 0.000 -3.699) 3.944 8.947 ( -0.114 0.000 -0.122) 0.166 9.015 ( 0.925 0.000 -1.919) 2.130 9.070 ( -15.429 0.000 4.301) 16.017 9.082 ( 2.227 0.000 4.638) 5.144 9.089 ( -1.362 0.000 -1.015) 1.698 9.231 ( 0.280 0.000 -3.838) 3.848 9.342 ( 0.232 0.000 8.120) 8.123 9.405 ( 2.305 0.000 2.524) 3.418 9.448 ( 0.439 0.000 -1.480) 1.544 9.556 ( -0.848 0.000 -1.391) 1.629 9.798 ( -2.717 0.000 2.117) 3.444 9.828 ( -3.080 0.000 3.038) 4.326 10.285 ( -0.329 0.000 4.415) 4.427 10.338 ( -1.158 0.000 1.696) 2.054 10.342 ( -1.814 0.000 -5.683) 5.965 10.510 ( -2.749 0.000 -0.291) 2.765 10.594 ( -23.212 0.000 -0.557) 23.219 10.614 ( 0.503 0.000 -0.908) 1.038 10.692 ( 1.868 0.000 4.941) 5.282 10.763 ( 12.756 0.000 -3.812) 13.313 10.776 ( -6.147 0.000 5.653) 8.351 10.894 ( 29.946 0.000 -0.147) 29.946 11.000 ( -9.693 0.000 -1.518) 9.811 11.197 ( 0.003 0.000 -1.507) 1.507 11.224 ( 11.486 0.000 6.230) 13.067 11.483 ( -0.333 0.000 2.280) 2.304 11.525 ( -9.336 0.000 -6.435) 11.339 11.590 ( -0.043 0.000 2.611) 2.611 11.602 ( 0.706 0.000 -2.651) 2.744 11.732 ( 7.870 0.000 2.607) 8.291 11.819 ( -3.165 0.000 4.888) 5.824 11.979 ( 0.090 0.000 -11.360) 11.360 11.979 ( -1.815 0.000 0.892) 2.022 12.115 ( 0.328 0.000 -5.002) 5.013 12.119 ( 1.857 0.000 -4.367) 4.746 12.264 ( -2.075 0.000 -3.449) 4.025 12.701 ( 2.779 0.000 -2.615) 3.816 12.974 ( 7.907 0.000 7.066) 10.604 13.010 ( 1.301 0.000 4.672) 4.850 13.090 ( 1.851 0.000 1.497) 2.380 13.105 ( -2.624 0.000 2.172) 3.406 13.243 ( 10.467 0.000 -11.508) 15.556 13.293 ( -8.335 0.000 -2.559) 8.719 13.397 ( 2.232 0.000 -10.728) 10.957 13.611 ( -4.447 0.000 4.836) 6.570 13.625 ( 5.581 0.000 6.509) 8.574 14.276 ( -3.896 0.000 3.785) 5.432 14.428 ( -0.764 0.000 -3.580) 3.661 14.550 ( -1.408 0.000 3.336) 3.620 14.623 ( -0.804 0.000 1.443) 1.652 15.031 ( -1.826 0.000 2.760) 3.310 15.240 ( 0.682 0.000 -2.438) 2.532 15.406 ( 2.602 0.000 -0.106) 2.604 15.449 ( -8.767 0.000 -0.426) 8.778 16.143 ( 0.634 0.000 3.180) 3.242 16.391 ( 0.916 0.000 1.523) 1.778 16.392 ( 0.436 0.000 -3.301) 3.330 16.493 ( -0.488 0.000 -0.261) 0.553 19.973 ( 0.990 0.000 -0.222) 1.015 19.980 ( -0.666 0.000 -0.260) 0.715 20.114 ( -6.775 0.000 0.308) 6.782 20.172 ( -0.930 0.000 -1.187) 1.508 20.808 ( -1.071 0.000 2.167) 2.418 20.902 ( 0.980 0.000 -0.537) 1.117 20.919 ( 0.313 0.000 0.930) 0.982 20.966 ( -0.999 0.000 -0.568) 1.150 21.108 ( -2.227 0.000 2.404) 3.277 21.272 ( 0.954 0.000 -1.417) 1.708 21.542 ( 0.312 0.000 2.070) 2.093 21.628 ( 0.896 0.000 0.733) 1.158 21.876 ( 1.509 0.000 1.383) 2.047 21.895 ( -1.727 0.000 1.634) 2.377 22.638 ( 0.244 0.000 -0.780) 0.818 22.698 ( 4.583 0.000 2.084) 5.034 22.818 ( 1.803 0.000 -4.178) 4.551 22.888 ( -4.197 0.000 -2.132) 4.708 23.013 ( 1.164 0.000 -3.218) 3.422 23.114 ( -0.905 0.000 -3.238) 3.362 23.384 ( 1.601 0.000 10.595) 10.715 23.881 ( 0.326 0.000 -4.093) 4.106 24.789 ( 16.815 0.000 -0.145) 16.816 24.819 ( -0.587 0.000 -0.768) 0.967 25.696 ( -0.153 0.000 -0.035) 0.157 25.696 ( 0.178 0.000 -0.049) 0.184 25.730 ( -0.183 0.000 0.213) 0.281 25.741 ( -9.625 0.000 -0.069) 9.625 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 16.278 0.000 19.684) 25.543 1.016 ( 19.578 0.000 24.977) 31.736 1.589 ( 39.443 0.000 24.557) 46.463 1.752 ( -0.804 0.000 -18.684) 18.701 2.090 ( 7.130 0.000 -20.948) 22.128 2.179 ( 14.388 0.000 -10.054) 17.553 2.397 ( 0.800 0.000 -0.614) 1.008 2.411 ( 2.272 0.000 1.638) 2.801 2.511 ( 3.195 0.000 6.539) 7.278 2.552 ( -3.577 0.000 2.566) 4.402 2.661 ( -1.797 0.000 4.346) 4.703 2.673 ( 1.498 0.000 -2.911) 3.274 2.708 ( 5.465 0.000 -0.556) 5.493 2.756 ( -2.159 0.000 -1.386) 2.566 2.762 ( -2.188 0.000 -3.752) 4.343 2.813 ( -3.323 0.000 -0.110) 3.325 2.855 ( 2.549 0.000 -0.759) 2.660 2.923 ( 2.245 0.000 2.184) 3.132 2.996 ( 6.440 0.000 -0.127) 6.441 3.068 ( 1.697 0.000 -0.436) 1.752 3.081 ( -4.252 0.000 0.786) 4.324 3.229 ( -1.684 0.000 3.916) 4.263 3.264 ( -3.114 0.000 -1.682) 3.539 3.363 ( 3.947 0.000 -5.255) 6.572 3.394 ( 2.798 0.000 0.447) 2.834 3.408 ( 1.069 0.000 2.304) 2.540 3.460 ( 0.927 0.000 -0.917) 1.304 3.518 ( -3.826 0.000 -3.738) 5.348 3.610 ( -0.926 0.000 5.128) 5.211 3.650 ( 4.772 0.000 -2.151) 5.235 3.677 ( 5.279 0.000 0.340) 5.290 3.718 ( -6.779 0.000 -0.637) 6.808 3.778 ( -0.104 0.000 -5.367) 5.368 3.952 ( 4.266 0.000 -1.112) 4.408 3.994 ( -1.525 0.000 1.303) 2.006 3.995 ( 3.277 0.000 0.701) 3.351 4.055 ( -3.017 0.000 -8.278) 8.811 4.142 ( 1.224 0.000 2.880) 3.129 4.260 ( 0.154 0.000 2.446) 2.451 4.329 ( 3.404 0.000 -2.125) 4.013 4.430 ( 0.747 0.000 -8.351) 8.384 4.565 ( 6.055 0.000 -2.469) 6.539 4.641 ( -5.244 0.000 2.508) 5.813 4.724 ( -3.753 0.000 -0.672) 3.813 4.731 ( 6.522 0.000 -3.582) 7.441 4.787 ( 5.572 0.000 6.994) 8.942 4.841 ( 6.703 0.000 -6.826) 9.567 4.935 ( 2.875 0.000 3.220) 4.317 4.999 ( 9.354 0.000 -4.563) 10.407 5.092 ( -3.178 0.000 0.627) 3.239 5.227 ( 0.455 0.000 3.145) 3.178 5.301 ( -8.637 0.000 3.273) 9.236 5.431 ( -4.948 0.000 -5.360) 7.295 5.454 ( 1.301 0.000 5.639) 5.787 5.476 ( -11.866 0.000 -3.056) 12.253 5.756 ( -8.616 0.000 -4.001) 9.499 5.804 ( -2.373 0.000 -1.211) 2.665 5.856 ( -7.295 0.000 1.758) 7.504 5.955 ( 1.057 0.000 -0.608) 1.219 5.983 ( -1.387 0.000 -7.133) 7.267 6.084 ( -2.457 0.000 7.134) 7.545 6.120 ( -8.877 0.000 0.961) 8.929 6.146 ( -6.558 0.000 1.045) 6.641 6.215 ( -5.000 0.000 -0.814) 5.066 6.278 ( -4.863 0.000 5.410) 7.275 6.430 ( 2.289 0.000 -1.997) 3.038 6.569 ( -4.283 0.000 -1.484) 4.532 6.581 ( -6.604 0.000 4.902) 8.225 6.606 ( 7.422 0.000 -2.470) 7.822 6.636 ( -10.642 0.000 0.088) 10.642 6.733 ( 2.443 0.000 3.717) 4.447 6.820 ( 4.430 0.000 1.685) 4.739 6.961 ( 0.453 0.000 0.090) 0.462 7.034 ( 2.147 0.000 0.781) 2.285 7.132 ( 5.384 0.000 -3.066) 6.196 7.206 ( 0.169 0.000 0.465) 0.494 7.289 ( -0.834 0.000 1.225) 1.482 7.403 ( 5.453 0.000 2.969) 6.209 7.511 ( -4.481 0.000 -8.581) 9.680 7.547 ( -0.128 0.000 2.724) 2.727 7.690 ( -1.507 0.000 5.105) 5.323 7.757 ( -8.937 0.000 0.624) 8.959 7.831 ( -0.524 0.000 1.409) 1.503 8.080 ( -11.009 0.000 0.846) 11.042 8.279 ( -10.089 0.000 1.008) 10.139 8.390 ( 5.204 0.000 0.539) 5.231 8.418 ( 4.589 0.000 -2.427) 5.191 8.454 ( 8.744 0.000 5.697) 10.436 8.542 ( 9.041 0.000 -0.313) 9.047 8.660 ( -3.525 0.000 2.333) 4.227 8.791 ( -3.471 0.000 -1.999) 4.006 8.841 ( -1.093 0.000 1.091) 1.544 8.850 ( -3.608 0.000 -2.625) 4.462 8.895 ( -2.292 0.000 -0.767) 2.417 8.935 ( -6.086 0.000 -5.990) 8.539 8.966 ( 5.551 0.000 -1.554) 5.765 8.987 ( 4.024 0.000 -4.419) 5.977 9.125 ( 3.264 0.000 -0.568) 3.313 9.160 ( 3.541 0.000 3.436) 4.934 9.259 ( 3.707 0.000 1.386) 3.957 9.369 ( -4.687 0.000 11.496) 12.415 9.438 ( 1.322 0.000 -3.394) 3.642 9.442 ( 3.060 0.000 -0.476) 3.097 9.557 ( 0.984 0.000 1.298) 1.628 9.781 ( -3.680 0.000 5.839) 6.902 9.816 ( 2.215 0.000 -1.819) 2.866 10.198 ( -7.164 0.000 -6.458) 9.645 10.255 ( -5.003 0.000 4.369) 6.642 10.285 ( -2.940 0.000 1.832) 3.464 10.371 ( -7.568 0.000 5.871) 9.578 10.451 ( -6.847 0.000 1.468) 7.002 10.614 ( -6.351 0.000 -2.192) 6.719 10.659 ( -1.693 0.000 -2.534) 3.047 10.734 ( -2.883 0.000 4.678) 5.495 10.856 ( -6.328 0.000 2.020) 6.643 10.858 ( 8.773 0.000 2.021) 9.003 11.202 ( -0.761 0.000 -0.000) 0.761 11.319 ( 2.067 0.000 -5.199) 5.594 11.388 ( 3.693 0.000 -11.109) 11.707 11.447 ( 4.616 0.000 6.161) 7.698 11.581 ( 9.984 0.000 3.438) 10.559 11.633 ( 5.986 0.000 -5.630) 8.218 11.748 ( 12.799 0.000 6.245) 14.241 11.806 ( 3.418 0.000 -14.253) 14.657 11.936 ( 5.377 0.000 -7.554) 9.272 11.981 ( 5.089 0.000 -2.266) 5.571 12.013 ( 12.707 0.000 3.288) 13.126 12.155 ( 4.455 0.000 -2.159) 4.950 12.176 ( 5.555 0.000 -2.342) 6.029 12.235 ( 3.714 0.000 -4.977) 6.210 12.823 ( 12.002 0.000 2.579) 12.276 13.033 ( -2.568 0.000 5.054) 5.669 13.059 ( -2.915 0.000 -1.564) 3.308 13.135 ( 2.927 0.000 -2.423) 3.800 13.163 ( -1.889 0.000 -2.714) 3.307 13.203 ( 9.568 0.000 6.208) 11.406 13.362 ( 1.358 0.000 -9.902) 9.994 13.459 ( 9.270 0.000 -13.805) 16.628 13.767 ( 22.445 0.000 -7.113) 23.545 13.799 ( 7.335 0.000 6.840) 10.030 14.234 ( -4.257 0.000 6.413) 7.698 14.341 ( -5.546 0.000 -4.948) 7.432 14.520 ( -3.947 0.000 3.685) 5.400 14.607 ( -1.783 0.000 0.421) 1.832 14.993 ( -3.826 0.000 1.829) 4.241 15.229 ( -0.437 0.000 -2.006) 2.053 15.239 ( -13.401 0.000 5.367) 14.436 15.445 ( 1.031 0.000 1.191) 1.575 16.099 ( -6.983 0.000 3.937) 8.016 16.323 ( -5.009 0.000 -3.738) 6.250 16.370 ( -3.814 0.000 2.127) 4.367 16.430 ( -5.589 0.000 -1.315) 5.742 19.982 ( 1.227 0.000 -0.682) 1.404 20.019 ( 3.430 0.000 0.119) 3.432 20.190 ( 3.528 0.000 -1.050) 3.681 20.254 ( 14.856 0.000 -7.298) 16.552 20.779 ( -2.826 0.000 1.990) 3.456 20.897 ( -0.629 0.000 -0.335) 0.712 20.976 ( 4.289 0.000 1.538) 4.556 20.978 ( 2.317 0.000 -0.705) 2.422 21.100 ( -0.259 0.000 1.740) 1.759 21.294 ( 1.883 0.000 -0.561) 1.965 21.555 ( -0.313 0.000 1.922) 1.947 21.654 ( 0.784 0.000 -0.041) 0.785 21.870 ( -0.507 0.000 0.512) 0.720 21.933 ( 3.331 0.000 2.673) 4.271 22.653 ( 1.190 0.000 0.785) 1.426 22.711 ( -7.031 0.000 -4.177) 8.178 22.832 ( 6.133 0.000 4.137) 7.398 22.878 ( 3.688 0.000 -6.951) 7.869 22.987 ( -2.566 0.000 -1.710) 3.084 23.021 ( -5.153 0.000 -3.727) 6.360 23.338 ( -11.664 0.000 15.173) 19.138 23.790 ( -6.229 0.000 -5.355) 8.214 24.370 ( -33.679 0.000 22.452) 40.477 24.684 ( -12.113 0.000 -3.650) 12.651 25.719 ( 2.251 0.000 -0.441) 2.294 25.723 ( 2.537 0.000 0.061) 2.537 25.774 ( 3.827 0.000 1.874) 4.261 25.929 ( 13.055 0.000 -8.475) 15.564 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 24.806 0.000 11.795) 27.467 1.554 ( 23.287 0.000 17.256) 28.984 1.693 ( 7.475 0.000 -13.165) 15.139 2.131 ( 12.021 0.000 -17.720) 21.413 2.326 ( 19.624 0.000 9.325) 21.727 2.388 ( 3.468 0.000 -5.140) 6.200 2.394 ( 4.159 0.000 -2.351) 4.777 2.436 ( 4.927 0.000 -0.457) 4.948 2.492 ( -4.024 0.000 1.712) 4.373 2.521 ( -11.527 0.000 0.350) 11.532 2.619 ( -2.935 0.000 -3.557) 4.611 2.632 ( 5.153 0.000 2.077) 5.555 2.702 ( -2.171 0.000 -4.231) 4.756 2.768 ( 2.381 0.000 -3.006) 3.835 2.780 ( 4.263 0.000 -2.172) 4.784 2.821 ( 4.062 0.000 5.645) 6.954 2.882 ( -10.939 0.000 0.409) 10.947 2.957 ( 4.609 0.000 1.554) 4.864 2.970 ( -1.199 0.000 2.573) 2.839 3.108 ( 1.986 0.000 -2.880) 3.498 3.185 ( 12.121 0.000 6.600) 13.801 3.276 ( 2.050 0.000 3.055) 3.680 3.280 ( 4.393 0.000 6.732) 8.039 3.349 ( -3.873 0.000 0.065) 3.873 3.384 ( -0.448 0.000 -2.602) 2.640 3.432 ( -0.154 0.000 -8.219) 8.220 3.500 ( 9.204 0.000 -0.050) 9.204 3.567 ( -5.095 0.000 0.407) 5.111 3.607 ( 5.339 0.000 5.160) 7.425 3.631 ( -6.867 0.000 -2.352) 7.259 3.640 ( 0.132 0.000 6.403) 6.405 3.700 ( -3.229 0.000 -0.526) 3.271 3.804 ( 7.432 0.000 -4.682) 8.784 3.900 ( -3.573 0.000 -7.841) 8.617 3.976 ( 2.283 0.000 -0.321) 2.306 4.035 ( 5.045 0.000 -1.473) 5.256 4.106 ( 10.778 0.000 -7.311) 13.023 4.201 ( 0.341 0.000 10.996) 11.001 4.323 ( 3.282 0.000 1.642) 3.670 4.375 ( 2.386 0.000 -1.350) 2.742 4.502 ( 10.168 0.000 -6.659) 12.155 4.534 ( -8.167 0.000 -1.334) 8.275 4.609 ( 0.088 0.000 -0.443) 0.451 4.695 ( 0.809 0.000 8.506) 8.544 4.823 ( 3.846 0.000 -5.260) 6.516 4.865 ( -6.809 0.000 -1.440) 6.959 4.954 ( 2.261 0.000 4.129) 4.707 4.969 ( 1.114 0.000 -0.830) 1.389 4.986 ( -10.324 0.000 -4.792) 11.381 5.050 ( -1.260 0.000 -3.260) 3.494 5.138 ( 7.769 0.000 -1.804) 7.976 5.283 ( -5.079 0.000 -1.048) 5.186 5.303 ( -0.274 0.000 4.705) 4.713 5.400 ( 1.784 0.000 -1.854) 2.573 5.490 ( 1.770 0.000 1.733) 2.477 5.603 ( -12.513 0.000 -2.295) 12.721 5.614 ( -1.867 0.000 -4.211) 4.606 5.744 ( -7.702 0.000 -2.830) 8.205 5.892 ( -12.508 0.000 3.498) 12.988 5.928 ( -1.707 0.000 -1.297) 2.144 5.942 ( -5.093 0.000 -4.491) 6.790 5.978 ( -8.414 0.000 3.624) 9.161 6.062 ( -7.187 0.000 0.773) 7.228 6.182 ( -0.167 0.000 0.656) 0.677 6.186 ( -6.866 0.000 3.605) 7.755 6.281 ( -14.056 0.000 -1.322) 14.118 6.449 ( 2.743 0.000 -0.635) 2.816 6.509 ( -3.813 0.000 3.051) 4.884 6.710 ( 5.155 0.000 -1.308) 5.318 6.758 ( 8.891 0.000 5.205) 10.302 6.822 ( 5.596 0.000 2.003) 5.943 6.878 ( 0.203 0.000 0.055) 0.210 7.005 ( -5.346 0.000 -0.849) 5.413 7.027 ( 5.663 0.000 2.562) 6.215 7.188 ( 0.970 0.000 -4.191) 4.302 7.234 ( 1.636 0.000 1.562) 2.262 7.296 ( -0.531 0.000 1.917) 1.989 7.392 ( 1.564 0.000 -11.169) 11.278 7.494 ( 0.797 0.000 4.474) 4.544 7.529 ( -1.542 0.000 -0.074) 1.544 7.601 ( -9.237 0.000 4.702) 10.365 7.684 ( -2.814 0.000 4.718) 5.494 7.830 ( -0.656 0.000 1.404) 1.550 7.918 ( -8.184 0.000 1.573) 8.333 8.113 ( -8.158 0.000 2.088) 8.421 8.497 ( 5.095 0.000 -2.670) 5.752 8.519 ( 6.548 0.000 -1.102) 6.640 8.601 ( -2.629 0.000 -1.967) 3.283 8.635 ( 0.660 0.000 -0.527) 0.845 8.653 ( -1.174 0.000 -4.462) 4.614 8.691 ( 2.550 0.000 -1.957) 3.214 8.740 ( 2.188 0.000 2.378) 3.231 8.821 ( -0.195 0.000 1.074) 1.092 8.889 ( -0.702 0.000 1.522) 1.676 8.924 ( 4.244 0.000 2.205) 4.783 8.996 ( 0.713 0.000 -6.806) 6.843 9.028 ( 1.868 0.000 -0.163) 1.875 9.212 ( 5.364 0.000 2.056) 5.744 9.228 ( -0.647 0.000 1.996) 2.098 9.299 ( 4.529 0.000 -2.123) 5.002 9.349 ( -4.421 0.000 10.080) 11.007 9.500 ( 2.095 0.000 1.711) 2.705 9.507 ( 1.211 0.000 2.071) 2.400 9.558 ( 4.259 0.000 -4.036) 5.868 9.806 ( -2.275 0.000 -1.462) 2.704 9.830 ( 1.228 0.000 11.507) 11.573 10.047 ( -4.580 0.000 -5.101) 6.856 10.172 ( -6.995 0.000 3.042) 7.628 10.271 ( -1.889 0.000 -3.330) 3.829 10.283 ( -1.557 0.000 3.291) 3.641 10.292 ( -8.465 0.000 0.123) 8.466 10.548 ( -1.819 0.000 -1.746) 2.521 10.566 ( -4.454 0.000 -4.325) 6.209 10.670 ( -4.707 0.000 -0.427) 4.726 10.796 ( -4.385 0.000 10.736) 11.597 10.992 ( 1.167 0.000 -1.090) 1.597 11.173 ( -7.730 0.000 1.090) 7.806 11.239 ( 4.312 0.000 -0.992) 4.425 11.445 ( 5.426 0.000 -4.817) 7.255 11.537 ( 1.424 0.000 4.056) 4.299 11.714 ( 5.492 0.000 -1.467) 5.685 11.769 ( 8.707 0.000 0.725) 8.737 11.794 ( 8.338 0.000 -15.536) 17.632 11.973 ( 5.738 0.000 4.495) 7.288 12.051 ( 8.540 0.000 -3.644) 9.285 12.122 ( 10.750 0.000 0.709) 10.773 12.189 ( -1.168 0.000 -1.883) 2.216 12.216 ( 2.769 0.000 -3.534) 4.490 12.235 ( 12.484 0.000 -1.027) 12.526 12.319 ( 5.206 0.000 -1.432) 5.400 12.981 ( -2.379 0.000 -4.721) 5.286 13.006 ( -0.972 0.000 2.184) 2.391 13.099 ( 7.215 0.000 -1.727) 7.419 13.138 ( 0.540 0.000 -7.882) 7.901 13.243 ( 10.821 0.000 12.717) 16.698 13.284 ( -0.329 0.000 -14.303) 14.307 13.366 ( 7.040 0.000 -5.168) 8.734 13.574 ( 9.128 0.000 2.786) 9.544 13.945 ( 3.792 0.000 4.874) 6.175 14.095 ( 17.147 0.000 -7.289) 18.632 14.195 ( -5.734 0.000 -4.407) 7.232 14.216 ( -2.581 0.000 10.177) 10.500 14.465 ( -4.753 0.000 4.250) 6.376 14.561 ( -3.098 0.000 -0.960) 3.244 14.920 ( -6.558 0.000 3.588) 7.475 15.056 ( -8.823 0.000 2.412) 9.147 15.196 ( -1.706 0.000 -1.542) 2.299 15.454 ( -0.643 0.000 0.550) 0.847 15.972 ( -9.096 0.000 4.016) 9.943 16.189 ( -6.034 0.000 -4.115) 7.304 16.299 ( -6.609 0.000 -2.018) 6.910 16.302 ( -4.450 0.000 1.696) 4.763 20.012 ( 2.363 0.000 -0.631) 2.446 20.081 ( 3.143 0.000 -0.485) 3.180 20.271 ( 4.703 0.000 1.338) 4.890 20.454 ( 11.982 0.000 -6.755) 13.755 20.751 ( -1.380 0.000 2.070) 2.488 20.899 ( 1.268 0.000 -0.326) 1.309 21.019 ( 2.183 0.000 -0.180) 2.191 21.077 ( 4.890 0.000 2.805) 5.637 21.108 ( -0.035 0.000 0.655) 0.656 21.314 ( 0.334 0.000 -0.448) 0.559 21.559 ( -0.616 0.000 1.995) 2.088 21.625 ( -3.211 0.000 -1.019) 3.369 21.939 ( 8.311 0.000 -0.039) 8.311 22.032 ( 5.822 0.000 2.349) 6.278 22.542 ( -8.841 0.000 -3.900) 9.663 22.682 ( 1.170 0.000 0.679) 1.353 22.750 ( -12.938 0.000 -1.764) 13.058 22.883 ( -2.857 0.000 -2.602) 3.864 22.918 ( 1.911 0.000 -6.766) 7.031 23.099 ( 10.522 0.000 3.199) 10.998 23.242 ( -8.495 0.000 13.175) 15.676 23.628 ( -6.229 0.000 -6.158) 8.759 24.017 ( -22.448 0.000 18.951) 29.377 24.379 ( -15.605 0.000 -7.624) 17.368 25.764 ( 2.925 0.000 -0.860) 3.048 25.775 ( 2.786 0.000 -0.011) 2.786 25.858 ( 2.635 0.000 3.633) 4.488 26.046 ( 6.065 0.000 -5.454) 8.156 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 21.751 0.000 8.525) 23.362 1.842 ( 14.061 0.000 -4.234) 14.685 2.066 ( 19.957 0.000 13.224) 23.940 2.103 ( -14.866 0.000 -3.317) 15.232 2.276 ( -14.209 0.000 -2.529) 14.433 2.323 ( 11.881 0.000 -12.577) 17.301 2.338 ( -10.829 0.000 4.343) 11.668 2.383 ( -2.280 0.000 0.136) 2.284 2.441 ( -3.853 0.000 -1.385) 4.095 2.631 ( 2.625 0.000 1.214) 2.892 2.632 ( 0.319 0.000 -0.790) 0.852 2.667 ( 4.457 0.000 -2.010) 4.890 2.752 ( 4.453 0.000 1.415) 4.672 2.777 ( -0.466 0.000 4.874) 4.896 2.799 ( 3.337 0.000 0.044) 3.337 2.854 ( 2.355 0.000 1.068) 2.586 2.954 ( 6.157 0.000 0.073) 6.157 2.977 ( 1.942 0.000 -0.909) 2.144 3.003 ( 0.549 0.000 3.272) 3.318 3.114 ( 1.216 0.000 -1.694) 2.085 3.224 ( -6.268 0.000 -3.475) 7.166 3.283 ( -2.706 0.000 1.895) 3.303 3.346 ( 1.804 0.000 -4.817) 5.144 3.365 ( -1.153 0.000 0.932) 1.483 3.394 ( -2.731 0.000 1.441) 3.088 3.413 ( 3.637 0.000 1.773) 4.046 3.477 ( -4.287 0.000 -2.480) 4.952 3.505 ( -1.719 0.000 1.468) 2.261 3.605 ( -2.183 0.000 -2.197) 3.097 3.700 ( 8.530 0.000 2.289) 8.832 3.765 ( -5.115 0.000 -5.086) 7.213 3.775 ( 5.398 0.000 7.313) 9.089 3.863 ( 16.951 0.000 9.493) 19.428 3.980 ( 12.877 0.000 -6.046) 14.226 4.072 ( 2.479 0.000 0.893) 2.635 4.087 ( 1.088 0.000 -6.152) 6.248 4.224 ( -10.247 0.000 7.682) 12.807 4.280 ( 11.465 0.000 -6.125) 12.999 4.289 ( -15.777 0.000 -0.650) 15.790 4.374 ( -20.045 0.000 -6.068) 20.943 4.379 ( -0.292 0.000 5.606) 5.614 4.433 ( 4.688 0.000 4.501) 6.499 4.519 ( 1.619 0.000 -6.189) 6.397 4.691 ( 3.967 0.000 -2.114) 4.495 4.860 ( -4.967 0.000 -0.788) 5.029 4.862 ( 10.084 0.000 0.312) 10.089 4.912 ( 5.272 0.000 -3.552) 6.357 4.965 ( -1.940 0.000 0.662) 2.050 5.011 ( 5.645 0.000 -4.008) 6.923 5.085 ( 2.017 0.000 0.730) 2.145 5.182 ( -10.756 0.000 -3.293) 11.249 5.247 ( 2.689 0.000 4.863) 5.557 5.307 ( 4.429 0.000 2.943) 5.318 5.421 ( -4.483 0.000 2.164) 4.978 5.461 ( 4.523 0.000 1.181) 4.675 5.484 ( -4.058 0.000 -1.701) 4.400 5.647 ( 5.862 0.000 -2.903) 6.541 5.649 ( -1.431 0.000 -2.500) 2.881 5.685 ( -10.103 0.000 1.452) 10.207 5.829 ( -3.601 0.000 -2.271) 4.257 5.877 ( -3.309 0.000 0.562) 3.357 5.881 ( -2.662 0.000 -0.706) 2.754 5.972 ( 0.419 0.000 0.324) 0.530 6.056 ( -7.367 0.000 2.166) 7.678 6.073 ( -8.992 0.000 0.132) 8.993 6.207 ( 0.622 0.000 -1.069) 1.237 6.475 ( -2.237 0.000 2.354) 3.247 6.535 ( 5.601 0.000 -0.991) 5.688 6.775 ( 2.825 0.000 -0.730) 2.918 6.843 ( -1.247 0.000 -1.754) 2.152 6.869 ( -0.277 0.000 -0.536) 0.603 6.870 ( -5.922 0.000 -0.340) 5.931 7.016 ( 10.372 0.000 4.149) 11.171 7.116 ( 1.113 0.000 1.027) 1.514 7.145 ( 0.095 0.000 -0.088) 0.129 7.268 ( 0.765 0.000 1.307) 1.515 7.290 ( -3.182 0.000 6.026) 6.815 7.392 ( -0.363 0.000 -2.143) 2.174 7.439 ( -3.624 0.000 -3.021) 4.718 7.526 ( 1.958 0.000 -2.836) 3.446 7.561 ( 0.508 0.000 4.051) 4.083 7.645 ( -4.016 0.000 2.939) 4.977 7.816 ( -4.057 0.000 2.236) 4.633 7.832 ( -0.348 0.000 1.782) 1.816 8.033 ( -2.929 0.000 5.400) 6.144 8.486 ( -3.088 0.000 -3.680) 4.804 8.535 ( 2.181 0.000 -13.084) 13.264 8.554 ( 0.650 0.000 -5.214) 5.254 8.622 ( 1.411 0.000 2.288) 2.688 8.623 ( 0.155 0.000 3.106) 3.109 8.755 ( 3.318 0.000 -4.170) 5.329 8.826 ( -0.969 0.000 1.386) 1.691 8.868 ( -0.843 0.000 -1.578) 1.789 8.898 ( 0.793 0.000 9.308) 9.342 8.969 ( 3.892 0.000 -3.461) 5.208 9.036 ( 4.367 0.000 3.120) 5.367 9.055 ( 1.194 0.000 3.568) 3.763 9.225 ( 0.175 0.000 0.636) 0.659 9.273 ( -1.804 0.000 4.519) 4.866 9.362 ( 3.041 0.000 -3.166) 4.390 9.370 ( -0.562 0.000 8.638) 8.656 9.473 ( -0.742 0.000 -1.473) 1.649 9.533 ( 0.771 0.000 1.083) 1.330 9.687 ( 6.102 0.000 0.575) 6.129 9.747 ( -2.912 0.000 1.086) 3.108 9.855 ( -5.329 0.000 4.938) 7.265 9.973 ( -2.551 0.000 0.622) 2.626 10.059 ( -5.422 0.000 -0.472) 5.443 10.198 ( -1.527 0.000 -0.907) 1.776 10.207 ( -3.437 0.000 0.431) 3.464 10.309 ( 4.388 0.000 -5.679) 7.177 10.478 ( -0.892 0.000 -7.632) 7.684 10.521 ( 0.732 0.000 1.117) 1.335 10.600 ( -2.218 0.000 0.053) 2.219 10.823 ( -3.044 0.000 15.213) 15.514 10.942 ( -2.586 0.000 -3.070) 4.014 11.053 ( -3.292 0.000 -1.624) 3.671 11.256 ( -1.972 0.000 -6.057) 6.370 11.540 ( -2.262 0.000 1.655) 2.803 11.582 ( 7.803 0.000 6.186) 9.957 11.789 ( 4.393 0.000 1.031) 4.512 11.935 ( 11.975 0.000 -4.951) 12.958 11.940 ( 10.696 0.000 -2.736) 11.041 12.029 ( -3.232 0.000 0.860) 3.344 12.103 ( -3.864 0.000 -1.395) 4.108 12.138 ( 3.268 0.000 -4.382) 5.466 12.240 ( 1.389 0.000 -2.069) 2.492 12.259 ( 3.587 0.000 0.113) 3.589 12.387 ( 1.979 0.000 2.202) 2.961 12.446 ( 7.169 0.000 2.426) 7.568 12.903 ( -1.414 0.000 -9.953) 10.053 13.011 ( 0.493 0.000 -1.468) 1.549 13.066 ( -1.002 0.000 -10.612) 10.659 13.127 ( -0.260 0.000 -0.652) 0.702 13.163 ( -0.573 0.000 -19.313) 19.322 13.431 ( 5.984 0.000 -9.187) 10.964 13.500 ( 1.989 0.000 16.602) 16.721 13.756 ( 4.848 0.000 6.303) 7.952 13.983 ( -0.899 0.000 2.471) 2.629 14.136 ( 1.195 0.000 -2.447) 2.724 14.227 ( 2.195 0.000 8.853) 9.121 14.363 ( 9.471 0.000 1.346) 9.566 14.409 ( -4.369 0.000 4.477) 6.255 14.492 ( -3.047 0.000 -0.715) 3.130 14.795 ( -8.399 0.000 4.393) 9.478 14.980 ( -1.716 0.000 1.479) 2.265 15.164 ( -0.390 0.000 -0.853) 0.938 15.433 ( -1.211 0.000 -1.390) 1.844 15.849 ( -6.049 0.000 2.555) 6.566 16.085 ( -1.606 0.000 -4.330) 4.618 16.206 ( -1.652 0.000 -0.885) 1.874 16.248 ( -2.179 0.000 0.959) 2.381 20.048 ( 1.549 0.000 -0.268) 1.572 20.114 ( 1.037 0.000 -1.464) 1.794 20.356 ( 2.135 0.000 4.349) 4.845 20.593 ( 6.025 0.000 -1.705) 6.262 20.773 ( 2.967 0.000 1.740) 3.440 20.925 ( 1.036 0.000 -0.572) 1.183 21.050 ( 1.146 0.000 0.585) 1.286 21.091 ( -2.469 0.000 2.599) 3.585 21.191 ( 5.380 0.000 1.768) 5.663 21.299 ( -0.964 0.000 -1.742) 1.991 21.558 ( -1.227 0.000 2.651) 2.921 21.569 ( -1.332 0.000 -0.077) 1.334 22.133 ( 11.170 0.000 -1.173) 11.231 22.151 ( 5.371 0.000 -3.235) 6.270 22.347 ( -9.621 0.000 -0.257) 9.624 22.486 ( -12.522 0.000 -1.608) 12.625 22.695 ( 0.120 0.000 -0.441) 0.457 22.789 ( -4.617 0.000 0.106) 4.618 22.954 ( 6.701 0.000 -9.956) 12.001 23.198 ( -4.327 0.000 8.542) 9.575 23.265 ( 3.210 0.000 0.677) 3.280 23.524 ( -0.446 0.000 -5.389) 5.407 23.764 ( -17.432 0.000 13.833) 22.254 24.119 ( -4.186 0.000 -7.016) 8.170 25.804 ( 1.825 0.000 -0.989) 2.076 25.811 ( 1.066 0.000 -0.265) 1.098 25.901 ( -0.617 0.000 3.807) 3.857 26.101 ( 3.457 0.000 -3.165) 4.687 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -26.532 0.000 2.365) 26.637 1.741 ( -26.157 0.000 -0.695) 26.166 2.142 ( -1.351 0.000 7.595) 7.714 2.253 ( 18.662 0.000 1.523) 18.724 2.297 ( 5.488 0.000 -1.933) 5.818 2.310 ( -4.804 0.000 0.365) 4.818 2.378 ( 3.811 0.000 0.331) 3.825 2.463 ( 9.751 0.000 3.699) 10.429 2.521 ( 12.056 0.000 -6.092) 13.508 2.593 ( -2.658 0.000 -2.009) 3.332 2.637 ( 0.568 0.000 1.020) 1.168 2.719 ( 3.871 0.000 1.852) 4.291 2.731 ( -6.288 0.000 4.896) 7.970 2.806 ( -0.998 0.000 1.119) 1.499 2.844 ( -1.121 0.000 -3.317) 3.502 2.911 ( 2.161 0.000 5.241) 5.669 2.956 ( -6.503 0.000 -1.593) 6.695 2.988 ( -3.670 0.000 2.863) 4.655 3.045 ( -0.639 0.000 2.266) 2.354 3.070 ( -9.697 0.000 -2.524) 10.020 3.134 ( -1.107 0.000 -5.040) 5.160 3.256 ( -1.258 0.000 1.767) 2.169 3.258 ( -6.806 0.000 -6.437) 9.368 3.341 ( 1.240 0.000 -0.883) 1.522 3.402 ( 0.624 0.000 1.372) 1.508 3.445 ( -1.826 0.000 5.621) 5.910 3.494 ( 3.237 0.000 -1.103) 3.419 3.510 ( 5.011 0.000 1.481) 5.226 3.569 ( -0.882 0.000 -1.849) 2.049 3.640 ( -17.792 0.000 1.232) 17.835 3.656 ( -2.673 0.000 -2.044) 3.365 3.873 ( 8.078 0.000 2.088) 8.344 3.891 ( 1.070 0.000 2.688) 2.893 3.992 ( -3.356 0.000 -9.812) 10.370 4.037 ( -6.041 0.000 -3.757) 7.114 4.041 ( -8.962 0.000 3.720) 9.703 4.152 ( 8.344 0.000 -3.930) 9.223 4.228 ( 7.575 0.000 -3.702) 8.431 4.329 ( -8.572 0.000 2.112) 8.829 4.394 ( 1.761 0.000 3.860) 4.243 4.402 ( -0.972 0.000 2.649) 2.822 4.497 ( -0.487 0.000 0.481) 0.685 4.538 ( 9.151 0.000 2.494) 9.485 4.691 ( -4.250 0.000 0.895) 4.344 4.822 ( -0.427 0.000 -7.340) 7.352 4.864 ( 1.700 0.000 -1.365) 2.181 4.913 ( -9.592 0.000 -2.195) 9.840 5.019 ( 11.261 0.000 -1.571) 11.370 5.066 ( 0.233 0.000 3.896) 3.903 5.135 ( 9.138 0.000 1.646) 9.286 5.161 ( 2.894 0.000 1.688) 3.350 5.339 ( 3.864 0.000 -6.203) 7.308 5.386 ( -1.365 0.000 5.797) 5.955 5.425 ( -2.837 0.000 3.077) 4.185 5.470 ( 7.424 0.000 1.509) 7.576 5.502 ( -1.829 0.000 3.193) 3.680 5.527 ( -4.930 0.000 -5.104) 7.096 5.596 ( 4.828 0.000 -3.876) 6.191 5.713 ( 3.399 0.000 1.309) 3.643 5.783 ( -6.650 0.000 -6.849) 9.547 5.894 ( 8.617 0.000 1.493) 8.746 5.900 ( 2.822 0.000 0.767) 2.924 5.984 ( 0.755 0.000 -1.282) 1.488 6.026 ( 4.250 0.000 1.583) 4.535 6.081 ( 9.971 0.000 2.297) 10.233 6.179 ( -2.291 0.000 -1.852) 2.946 6.450 ( -1.933 0.000 1.689) 2.567 6.545 ( -2.425 0.000 -1.104) 2.665 6.761 ( -6.111 0.000 -2.651) 6.661 6.799 ( 0.370 0.000 -1.023) 1.088 6.853 ( 3.621 0.000 0.379) 3.641 6.865 ( -0.115 0.000 -1.044) 1.050 7.079 ( -3.754 0.000 -0.318) 3.767 7.121 ( -1.839 0.000 5.039) 5.364 7.227 ( 0.605 0.000 2.513) 2.584 7.268 ( -1.631 0.000 1.848) 2.464 7.279 ( 3.255 0.000 7.126) 7.834 7.353 ( -3.449 0.000 -5.347) 6.363 7.409 ( 3.453 0.000 1.068) 3.615 7.562 ( -2.182 0.000 1.190) 2.486 7.593 ( 6.340 0.000 -3.450) 7.218 7.611 ( -1.319 0.000 1.793) 2.226 7.803 ( 0.639 0.000 2.771) 2.844 7.826 ( -2.231 0.000 3.707) 4.327 8.079 ( 3.394 0.000 5.821) 6.738 8.410 ( -1.129 0.000 -5.466) 5.581 8.502 ( 2.234 0.000 -11.327) 11.545 8.548 ( 1.216 0.000 -1.670) 2.066 8.675 ( 1.794 0.000 4.635) 4.970 8.698 ( 5.778 0.000 2.795) 6.418 8.729 ( -0.702 0.000 -6.948) 6.983 8.759 ( -4.664 0.000 -5.945) 7.557 8.816 ( -1.340 0.000 3.687) 3.923 8.974 ( -1.310 0.000 8.848) 8.944 8.988 ( -2.632 0.000 -2.066) 3.346 9.061 ( -0.394 0.000 -0.883) 0.967 9.145 ( 1.034 0.000 8.320) 8.384 9.252 ( -1.976 0.000 3.887) 4.360 9.266 ( 3.123 0.000 4.417) 5.409 9.358 ( -6.091 0.000 3.983) 7.278 9.370 ( -1.307 0.000 -4.001) 4.209 9.474 ( 3.394 0.000 -3.679) 5.006 9.542 ( -2.176 0.000 3.117) 3.802 9.620 ( -13.073 0.000 3.498) 13.533 9.769 ( 5.199 0.000 2.623) 5.823 9.860 ( 0.666 0.000 4.201) 4.254 9.944 ( 0.110 0.000 0.515) 0.526 10.009 ( 2.817 0.000 -4.170) 5.032 10.128 ( -3.401 0.000 -3.028) 4.554 10.217 ( 4.791 0.000 -0.353) 4.804 10.379 ( -0.103 0.000 -2.238) 2.240 10.433 ( 6.935 0.000 -8.275) 10.796 10.570 ( 2.022 0.000 0.933) 2.227 10.628 ( 4.151 0.000 3.426) 5.382 10.852 ( -5.199 0.000 16.101) 16.920 10.904 ( 0.928 0.000 -5.346) 5.426 10.983 ( -1.397 0.000 -12.472) 12.550 11.211 ( 0.013 0.000 7.726) 7.726 11.513 ( -0.810 0.000 0.493) 0.949 11.713 ( 3.837 0.000 0.614) 3.886 11.871 ( -10.634 0.000 -1.747) 10.777 11.909 ( 3.556 0.000 9.951) 10.567 12.005 ( -6.412 0.000 -2.696) 6.956 12.061 ( 2.422 0.000 -8.506) 8.844 12.113 ( 6.299 0.000 -2.666) 6.840 12.140 ( 0.783 0.000 -1.537) 1.725 12.231 ( 0.664 0.000 -0.206) 0.695 12.258 ( -3.525 0.000 0.852) 3.627 12.404 ( -2.769 0.000 4.751) 5.499 12.486 ( -4.408 0.000 3.073) 5.373 12.786 ( -2.354 0.000 -13.994) 14.191 12.929 ( -2.714 0.000 -21.692) 21.861 12.972 ( -2.113 0.000 -5.143) 5.561 13.088 ( 2.879 0.000 -8.305) 8.790 13.114 ( -1.981 0.000 3.299) 3.848 13.472 ( 4.891 0.000 -8.941) 10.191 13.530 ( -8.105 0.000 14.972) 17.025 13.765 ( -6.611 0.000 2.216) 6.973 13.981 ( -4.288 0.000 0.810) 4.363 14.154 ( 4.251 0.000 0.601) 4.293 14.358 ( -0.194 0.000 10.135) 10.137 14.388 ( -0.273 0.000 3.006) 3.019 14.399 ( 3.521 0.000 -5.027) 6.137 14.552 ( 5.230 0.000 1.453) 5.428 14.746 ( -1.045 0.000 11.409) 11.457 14.984 ( 0.357 0.000 2.383) 2.409 15.180 ( 2.328 0.000 -0.858) 2.481 15.399 ( -0.463 0.000 -3.857) 3.885 15.810 ( 0.863 0.000 1.082) 1.385 16.092 ( 5.266 0.000 -3.701) 6.436 16.235 ( 4.418 0.000 0.775) 4.486 16.241 ( 1.168 0.000 -0.184) 1.182 20.057 ( -0.514 0.000 0.308) 0.600 20.097 ( -1.625 0.000 -2.003) 2.580 20.390 ( -2.161 0.000 5.032) 5.477 20.659 ( 2.433 0.000 0.691) 2.529 20.869 ( 4.894 0.000 2.894) 5.685 20.907 ( -1.755 0.000 -1.518) 2.320 21.056 ( -3.081 0.000 2.754) 4.132 21.070 ( -0.162 0.000 1.913) 1.920 21.269 ( -0.205 0.000 -3.071) 3.078 21.289 ( 3.652 0.000 2.257) 4.293 21.547 ( -2.376 0.000 3.740) 4.430 21.594 ( 2.969 0.000 1.555) 3.351 22.055 ( -8.566 0.000 -6.098) 10.515 22.108 ( -10.837 0.000 -2.335) 11.086 22.302 ( 2.179 0.000 -4.421) 4.929 22.490 ( 11.740 0.000 -1.591) 11.848 22.687 ( 0.007 0.000 -0.760) 0.760 22.741 ( -1.299 0.000 2.704) 3.000 23.016 ( 4.967 0.000 -5.465) 7.385 23.173 ( -9.106 0.000 -4.666) 10.231 23.198 ( -0.595 0.000 4.866) 4.902 23.553 ( 6.359 0.000 -3.287) 7.159 23.577 ( -10.443 0.000 9.019) 13.799 24.197 ( 13.726 0.000 -2.431) 13.940 25.806 ( -1.331 0.000 -0.489) 1.418 25.811 ( -0.430 0.000 -0.925) 1.020 25.887 ( -3.281 0.000 3.232) 4.606 26.136 ( 2.257 0.000 -1.963) 2.991 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -30.503 0.000 2.966) 30.647 1.213 ( -31.308 0.000 4.304) 31.603 2.083 ( -33.490 0.000 5.813) 33.990 2.107 ( -2.080 0.000 -8.108) 8.371 2.274 ( -2.450 0.000 6.407) 6.860 2.363 ( -20.155 0.000 -2.938) 20.368 2.476 ( -4.078 0.000 -1.298) 4.280 2.479 ( -4.057 0.000 -3.275) 5.214 2.549 ( 8.327 0.000 -1.933) 8.548 2.596 ( 4.437 0.000 4.203) 6.112 2.665 ( 1.135 0.000 -0.964) 1.489 2.680 ( 2.018 0.000 -0.734) 2.147 2.716 ( -4.230 0.000 4.165) 5.936 2.744 ( -2.088 0.000 -4.573) 5.027 2.810 ( -3.794 0.000 -2.177) 4.374 2.842 ( 4.490 0.000 3.887) 5.939 2.914 ( -3.705 0.000 1.303) 3.927 2.922 ( -6.160 0.000 -3.399) 7.036 3.000 ( 5.016 0.000 0.935) 5.103 3.025 ( 6.011 0.000 4.462) 7.486 3.087 ( 0.632 0.000 -5.489) 5.525 3.232 ( -0.330 0.000 3.248) 3.265 3.257 ( -0.348 0.000 0.105) 0.364 3.369 ( 0.875 0.000 -2.803) 2.936 3.396 ( -10.103 0.000 2.022) 10.303 3.436 ( 3.117 0.000 -0.571) 3.169 3.457 ( -3.153 0.000 2.959) 4.324 3.503 ( -2.358 0.000 1.189) 2.641 3.594 ( -0.594 0.000 -5.819) 5.849 3.640 ( 5.558 0.000 -2.513) 6.100 3.666 ( 8.660 0.000 2.272) 8.954 3.856 ( -4.710 0.000 1.696) 5.006 3.866 ( -1.693 0.000 -7.904) 8.084 3.912 ( -0.659 0.000 2.239) 2.334 3.958 ( -10.965 0.000 1.869) 11.123 4.076 ( -6.721 0.000 -3.606) 7.627 4.092 ( 3.450 0.000 4.715) 5.843 4.207 ( 0.155 0.000 -1.322) 1.332 4.309 ( 6.640 0.000 -7.051) 9.685 4.357 ( -1.675 0.000 -1.879) 2.517 4.436 ( -0.766 0.000 8.905) 8.938 4.516 ( 3.514 0.000 4.207) 5.482 4.659 ( 0.320 0.000 1.073) 1.120 4.730 ( -3.999 0.000 1.296) 4.204 4.768 ( 8.861 0.000 -3.917) 9.688 4.817 ( -0.578 0.000 -5.035) 5.068 4.900 ( 2.475 0.000 -0.147) 2.479 5.046 ( -5.118 0.000 3.337) 6.110 5.097 ( -5.958 0.000 0.591) 5.987 5.127 ( -8.358 0.000 -7.638) 11.322 5.256 ( 4.457 0.000 3.263) 5.524 5.279 ( 0.506 0.000 -2.345) 2.399 5.339 ( 0.305 0.000 2.944) 2.960 5.413 ( -4.119 0.000 4.545) 6.134 5.554 ( -0.382 0.000 -6.728) 6.739 5.583 ( 6.276 0.000 6.422) 8.979 5.619 ( 13.530 0.000 -12.855) 18.664 5.697 ( 9.332 0.000 0.527) 9.347 5.734 ( 10.178 0.000 -6.094) 11.863 5.838 ( 7.321 0.000 5.004) 8.867 5.974 ( 4.959 0.000 -0.162) 4.961 5.977 ( 3.311 0.000 -0.532) 3.353 6.079 ( -0.177 0.000 -0.194) 0.262 6.125 ( 4.270 0.000 1.687) 4.591 6.190 ( 9.086 0.000 3.044) 9.582 6.337 ( 15.167 0.000 0.303) 15.170 6.432 ( -0.618 0.000 0.335) 0.703 6.522 ( 0.713 0.000 0.307) 0.776 6.632 ( -6.691 0.000 -0.629) 6.721 6.789 ( -0.027 0.000 -1.098) 1.098 6.830 ( -2.969 0.000 -0.401) 2.996 6.869 ( -3.731 0.000 3.296) 4.978 7.035 ( -0.723 0.000 0.561) 0.915 7.095 ( -2.765 0.000 4.694) 5.448 7.206 ( -6.499 0.000 -8.454) 10.663 7.240 ( -0.325 0.000 0.743) 0.811 7.281 ( 0.191 0.000 4.349) 4.354 7.363 ( 0.093 0.000 2.907) 2.909 7.515 ( 5.456 0.000 3.875) 6.692 7.541 ( -1.559 0.000 0.181) 1.569 7.573 ( -2.143 0.000 -1.243) 2.477 7.693 ( 6.101 0.000 -0.391) 6.114 7.822 ( 0.139 0.000 2.128) 2.133 7.861 ( 3.404 0.000 3.098) 4.603 8.193 ( 4.303 0.000 4.004) 5.877 8.389 ( 2.388 0.000 -4.130) 4.771 8.459 ( -0.733 0.000 -5.761) 5.807 8.563 ( -0.640 0.000 2.186) 2.278 8.633 ( -2.494 0.000 -3.533) 4.325 8.640 ( -4.724 0.000 -4.204) 6.324 8.781 ( 4.605 0.000 1.141) 4.744 8.837 ( 1.144 0.000 3.329) 3.520 8.846 ( 7.693 0.000 -3.272) 8.360 8.870 ( -8.377 0.000 6.404) 10.545 8.992 ( -6.285 0.000 -2.472) 6.754 8.993 ( 1.441 0.000 -0.154) 1.449 9.181 ( -0.671 0.000 2.440) 2.530 9.246 ( -5.048 0.000 4.040) 6.466 9.275 ( -6.889 0.000 0.429) 6.903 9.280 ( -1.935 0.000 6.845) 7.113 9.348 ( -4.534 0.000 5.121) 6.840 9.379 ( -3.322 0.000 -5.861) 6.737 9.486 ( -4.556 0.000 0.304) 4.566 9.525 ( 0.771 0.000 1.432) 1.627 9.851 ( -3.029 0.000 6.478) 7.151 9.900 ( 3.503 0.000 2.888) 4.540 10.013 ( 7.069 0.000 -1.784) 7.291 10.104 ( 4.344 0.000 -1.893) 4.739 10.126 ( 11.281 0.000 -3.244) 11.738 10.307 ( -2.720 0.000 -2.053) 3.407 10.371 ( 10.162 0.000 3.899) 10.885 10.553 ( 6.423 0.000 -4.836) 8.040 10.612 ( 1.112 0.000 1.610) 1.957 10.713 ( 2.180 0.000 1.966) 2.935 10.807 ( -2.838 0.000 -8.716) 9.166 10.860 ( -3.799 0.000 14.059) 14.563 10.972 ( 6.675 0.000 -8.898) 11.123 11.335 ( 5.564 0.000 8.766) 10.383 11.524 ( 0.913 0.000 1.706) 1.935 11.643 ( -13.459 0.000 -0.951) 13.493 11.741 ( -0.671 0.000 -2.947) 3.023 11.787 ( -13.966 0.000 -3.952) 14.514 11.915 ( -8.708 0.000 3.986) 9.577 11.998 ( -0.505 0.000 -10.449) 10.461 12.093 ( -1.355 0.000 -2.341) 2.705 12.094 ( -7.440 0.000 -2.445) 7.832 12.190 ( -1.506 0.000 -4.268) 4.526 12.288 ( -1.118 0.000 2.278) 2.538 12.309 ( -15.043 0.000 -2.448) 15.241 12.380 ( -1.295 0.000 3.518) 3.749 12.724 ( 2.344 0.000 -3.269) 4.023 12.760 ( -1.274 0.000 -12.471) 12.536 12.902 ( -1.459 0.000 -2.725) 3.091 13.100 ( 3.330 0.000 -8.309) 8.951 13.104 ( -0.887 0.000 2.430) 2.586 13.464 ( -8.197 0.000 13.009) 15.376 13.480 ( 2.565 0.000 -10.546) 10.853 13.617 ( -8.895 0.000 2.659) 9.284 13.810 ( -11.126 0.000 -2.724) 11.455 14.305 ( 8.056 0.000 2.881) 8.556 14.340 ( -2.733 0.000 2.730) 3.863 14.408 ( -1.023 0.000 -17.025) 17.056 14.430 ( 3.046 0.000 1.997) 3.642 14.612 ( 1.397 0.000 0.052) 1.398 14.930 ( 7.023 0.000 19.080) 20.332 15.024 ( 1.941 0.000 9.736) 9.928 15.216 ( 2.289 0.000 -1.805) 2.916 15.371 ( 0.738 0.000 -4.969) 5.023 15.894 ( 6.894 0.000 1.226) 7.002 16.210 ( 9.096 0.000 -2.767) 9.508 16.280 ( 3.371 0.000 -1.589) 3.726 16.347 ( 6.453 0.000 0.910) 6.517 20.037 ( -1.893 0.000 0.679) 2.011 20.040 ( -2.914 0.000 -1.865) 3.460 20.337 ( -6.108 0.000 2.838) 6.735 20.705 ( 2.484 0.000 -0.205) 2.493 20.875 ( -0.176 0.000 -1.411) 1.422 20.952 ( 2.094 0.000 -1.090) 2.361 21.022 ( -2.595 0.000 3.477) 4.339 21.056 ( -2.654 0.000 1.644) 3.122 21.262 ( 1.255 0.000 -2.410) 2.717 21.312 ( -2.669 0.000 -5.306) 5.939 21.522 ( -1.911 0.000 2.307) 2.996 21.651 ( 0.927 0.000 0.773) 1.207 21.903 ( -4.291 0.000 -0.887) 4.382 21.928 ( -6.112 0.000 0.436) 6.127 22.296 ( 1.406 0.000 1.795) 2.280 22.615 ( 2.375 0.000 -2.981) 3.812 22.724 ( 2.958 0.000 -3.010) 4.220 22.771 ( 1.702 0.000 3.690) 4.064 23.022 ( -1.325 0.000 -1.850) 2.275 23.049 ( 0.685 0.000 0.716) 0.991 23.184 ( -5.579 0.000 3.602) 6.641 23.567 ( 4.220 0.000 8.230) 9.249 23.685 ( 9.502 0.000 -2.618) 9.856 24.475 ( 16.409 0.000 -1.449) 16.473 25.763 ( -2.727 0.000 -0.495) 2.771 25.777 ( -2.543 0.000 -0.638) 2.622 25.832 ( -4.519 0.000 2.330) 5.084 26.157 ( 1.459 0.000 -2.551) 2.939 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -28.876 0.000 8.308) 30.048 0.723 ( -27.738 0.000 17.350) 32.717 1.272 ( -52.212 0.000 22.404) 56.816 1.986 ( -0.314 0.000 -18.666) 18.669 2.241 ( -0.963 0.000 -1.385) 1.687 2.263 ( -6.125 0.000 2.255) 6.527 2.334 ( -4.803 0.000 -6.752) 8.286 2.423 ( -0.269 0.000 1.787) 1.807 2.495 ( -7.159 0.000 2.772) 7.677 2.550 ( -4.417 0.000 -5.925) 7.390 2.657 ( -2.632 0.000 3.952) 4.749 2.693 ( 0.446 0.000 -2.286) 2.329 2.700 ( 0.844 0.000 0.548) 1.006 2.782 ( -1.307 0.000 -3.613) 3.842 2.790 ( 2.514 0.000 -1.417) 2.886 2.817 ( 0.697 0.000 -0.019) 0.697 2.841 ( -3.161 0.000 -0.300) 3.175 2.911 ( -0.197 0.000 3.740) 3.745 3.064 ( -0.167 0.000 -3.753) 3.757 3.122 ( 1.707 0.000 2.436) 2.975 3.151 ( 1.586 0.000 -2.705) 3.136 3.196 ( -8.239 0.000 0.843) 8.282 3.264 ( 6.497 0.000 0.292) 6.503 3.277 ( 2.978 0.000 0.097) 2.979 3.342 ( -3.171 0.000 1.087) 3.352 3.465 ( -0.738 0.000 1.748) 1.897 3.476 ( 3.018 0.000 -0.766) 3.114 3.516 ( 3.704 0.000 0.778) 3.785 3.521 ( -2.908 0.000 -4.369) 5.249 3.612 ( -9.983 0.000 -0.088) 9.984 3.771 ( 3.814 0.000 -3.437) 5.134 3.798 ( -4.530 0.000 4.367) 6.292 3.816 ( 6.946 0.000 -1.193) 7.048 3.854 ( 0.818 0.000 -4.221) 4.299 3.923 ( -2.082 0.000 4.824) 5.254 3.994 ( -2.547 0.000 -3.731) 4.518 4.151 ( 2.479 0.000 -3.630) 4.396 4.178 ( -0.779 0.000 -2.280) 2.410 4.319 ( -1.950 0.000 -4.335) 4.753 4.436 ( 10.376 0.000 -1.736) 10.520 4.461 ( -5.800 0.000 10.302) 11.822 4.585 ( -4.210 0.000 1.407) 4.439 4.653 ( 5.130 0.000 -0.805) 5.193 4.699 ( -1.087 0.000 -4.753) 4.876 4.757 ( -13.948 0.000 -11.774) 18.253 4.767 ( -2.690 0.000 -1.035) 2.882 4.834 ( 0.613 0.000 3.204) 3.262 4.921 ( -8.510 0.000 -1.918) 8.724 5.016 ( -2.544 0.000 -5.799) 6.332 5.078 ( 3.173 0.000 4.073) 5.163 5.265 ( 1.007 0.000 -0.618) 1.182 5.295 ( -1.324 0.000 -2.305) 2.658 5.375 ( 2.421 0.000 -0.857) 2.568 5.453 ( 5.780 0.000 0.265) 5.786 5.494 ( 2.673 0.000 1.961) 3.315 5.742 ( 3.461 0.000 8.981) 9.625 5.821 ( 3.567 0.000 -8.217) 8.958 5.830 ( 11.484 0.000 -5.222) 12.615 5.897 ( 10.390 0.000 -0.627) 10.409 5.979 ( 4.329 0.000 0.061) 4.330 6.048 ( 2.936 0.000 6.152) 6.816 6.058 ( 3.874 0.000 -1.174) 4.048 6.124 ( 8.614 0.000 8.294) 11.958 6.202 ( 4.145 0.000 0.195) 4.149 6.328 ( 0.912 0.000 -2.155) 2.340 6.440 ( -5.133 0.000 -3.211) 6.054 6.469 ( 3.428 0.000 6.373) 7.237 6.556 ( 1.015 0.000 1.676) 1.960 6.661 ( 13.147 0.000 -1.233) 13.205 6.768 ( -3.030 0.000 0.126) 3.033 6.788 ( -1.405 0.000 -6.673) 6.819 6.791 ( -6.098 0.000 3.218) 6.895 7.006 ( -5.453 0.000 -2.622) 6.050 7.075 ( 3.939 0.000 -0.409) 3.961 7.083 ( -2.775 0.000 4.620) 5.389 7.199 ( -4.694 0.000 -0.667) 4.742 7.333 ( -4.756 0.000 4.917) 6.841 7.351 ( 1.276 0.000 4.545) 4.721 7.440 ( -2.937 0.000 -5.032) 5.826 7.600 ( 2.137 0.000 3.790) 4.351 7.618 ( 2.641 0.000 3.624) 4.484 7.798 ( 2.943 0.000 0.798) 3.049 7.850 ( 4.492 0.000 -5.224) 6.890 7.991 ( 9.449 0.000 8.070) 12.427 8.239 ( -1.079 0.000 2.157) 2.412 8.401 ( -4.754 0.000 3.453) 5.876 8.442 ( 5.831 0.000 -1.636) 6.056 8.530 ( -6.608 0.000 1.628) 6.806 8.558 ( -0.516 0.000 -0.226) 0.563 8.618 ( 3.252 0.000 -3.999) 5.154 8.763 ( -4.829 0.000 6.007) 7.707 8.804 ( -5.913 0.000 -12.138) 13.501 8.857 ( 1.818 0.000 -2.005) 2.707 8.893 ( 0.806 0.000 5.761) 5.817 8.945 ( 4.323 0.000 -4.309) 6.104 9.031 ( 1.944 0.000 -0.558) 2.023 9.087 ( -11.317 0.000 2.761) 11.649 9.145 ( -3.779 0.000 -0.926) 3.891 9.199 ( -1.816 0.000 2.855) 3.384 9.260 ( -0.653 0.000 -5.149) 5.191 9.317 ( -0.943 0.000 9.955) 9.999 9.397 ( -4.682 0.000 -1.350) 4.873 9.409 ( 2.814 0.000 1.722) 3.299 9.566 ( 1.244 0.000 0.420) 1.313 9.845 ( -1.672 0.000 3.867) 4.213 9.888 ( -4.634 0.000 0.106) 4.635 10.168 ( 9.091 0.000 1.907) 9.289 10.253 ( 9.746 0.000 4.728) 10.832 10.301 ( 8.604 0.000 -3.265) 9.203 10.308 ( 4.178 0.000 2.447) 4.842 10.563 ( 1.742 0.000 4.745) 5.055 10.576 ( 2.059 0.000 -5.000) 5.407 10.615 ( 1.947 0.000 -0.513) 2.014 10.757 ( 0.189 0.000 9.068) 9.070 10.781 ( 2.035 0.000 -2.549) 3.262 10.928 ( 5.204 0.000 6.185) 8.083 11.035 ( 6.160 0.000 -13.282) 14.640 11.363 ( -17.387 0.000 -0.421) 17.392 11.429 ( -2.950 0.000 -8.152) 8.669 11.523 ( -4.947 0.000 -1.614) 5.204 11.575 ( -1.964 0.000 3.403) 3.929 11.603 ( -4.936 0.000 -8.139) 9.518 11.841 ( -10.986 0.000 -8.965) 14.180 11.855 ( -13.998 0.000 -6.241) 15.327 11.855 ( -4.145 0.000 9.378) 10.253 12.042 ( -0.807 0.000 -9.166) 9.201 12.058 ( -8.929 0.000 1.580) 9.068 12.139 ( -0.481 0.000 -5.206) 5.228 12.206 ( -5.350 0.000 -3.581) 6.438 12.326 ( -4.648 0.000 -2.073) 5.089 12.716 ( -1.732 0.000 -1.666) 2.404 12.796 ( 7.520 0.000 3.034) 8.109 12.936 ( 3.940 0.000 2.459) 4.644 13.097 ( 0.808 0.000 -3.086) 3.190 13.114 ( -0.045 0.000 2.036) 2.036 13.415 ( -5.925 0.000 8.747) 10.565 13.431 ( 1.552 0.000 -13.971) 14.057 13.503 ( -7.870 0.000 -0.768) 7.908 13.609 ( -7.059 0.000 -2.180) 7.388 13.993 ( -25.770 0.000 -36.555) 44.725 14.320 ( -3.574 0.000 3.883) 5.277 14.417 ( 3.449 0.000 -0.843) 3.550 14.513 ( 3.007 0.000 3.436) 4.565 14.623 ( -0.227 0.000 1.188) 1.209 15.023 ( 0.175 0.000 3.946) 3.950 15.236 ( 1.485 0.000 -2.353) 2.783 15.340 ( 13.793 0.000 18.469) 23.051 15.369 ( 2.202 0.000 -3.287) 3.957 16.038 ( 6.612 0.000 3.079) 7.294 16.334 ( 3.606 0.000 -1.123) 3.777 16.345 ( 6.705 0.000 -2.734) 7.240 16.454 ( 4.337 0.000 0.366) 4.352 19.984 ( -1.689 0.000 -1.052) 1.990 20.004 ( -1.909 0.000 0.419) 1.955 20.235 ( -5.335 0.000 0.301) 5.344 20.673 ( -13.025 0.000 -27.272) 30.223 20.827 ( -8.110 0.000 -9.234) 12.289 20.881 ( 1.406 0.000 -1.021) 1.737 20.956 ( -4.168 0.000 -0.335) 4.182 21.007 ( -2.996 0.000 0.347) 3.016 21.152 ( -5.186 0.000 0.973) 5.276 21.270 ( 0.732 0.000 -1.472) 1.644 21.523 ( 0.123 0.000 1.936) 1.940 21.631 ( -1.532 0.000 -0.282) 1.558 21.865 ( -0.757 0.000 -0.167) 0.775 21.897 ( -0.476 0.000 2.748) 2.789 22.614 ( 22.379 0.000 25.702) 34.079 22.629 ( 1.679 0.000 -1.289) 2.117 22.682 ( -2.241 0.000 -2.950) 3.705 22.850 ( 5.943 0.000 5.205) 7.900 23.052 ( -5.351 0.000 2.784) 6.032 23.086 ( 5.113 0.000 -1.224) 5.258 23.113 ( 1.960 0.000 10.781) 10.958 23.829 ( 7.449 0.000 -3.098) 8.067 23.851 ( 20.430 0.000 28.458) 35.032 24.724 ( 10.826 0.000 -0.941) 10.866 25.714 ( -2.052 0.000 -0.253) 2.068 25.722 ( -2.726 0.000 -0.230) 2.735 25.765 ( -3.658 0.000 1.014) 3.796 26.115 ( -4.892 0.000 -10.222) 11.332 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.966 18.490 14.774) 23.687 0.800 ( -1.521 23.565 17.605) 29.454 1.458 ( 0.344 47.073 27.012) 54.273 1.867 ( 1.205 -3.283 -14.239) 14.662 1.956 ( -1.255 -14.950 -15.967) 21.910 2.200 ( -0.518 -0.363 -9.368) 9.389 2.301 ( 0.261 -6.056 1.677) 6.290 2.319 ( 2.580 -2.152 6.178) 7.032 2.444 ( -0.317 -2.335 -3.038) 3.845 2.515 ( 1.100 1.428 2.756) 3.293 2.622 ( -1.068 -2.665 -1.006) 3.042 2.675 ( 0.317 0.695 0.329) 0.832 2.696 ( -1.128 -1.007 3.050) 3.404 2.765 ( -1.666 1.819 -0.447) 2.506 2.808 ( -1.326 -0.025 3.236) 3.498 2.838 ( 1.317 3.665 -1.453) 4.156 2.871 ( 2.900 0.910 1.439) 3.363 2.947 ( -2.363 6.184 -1.443) 6.776 3.020 ( -0.384 0.878 -5.136) 5.225 3.091 ( 0.779 0.268 2.322) 2.464 3.151 ( -2.515 2.787 -2.610) 4.572 3.190 ( 0.410 0.847 0.515) 1.073 3.288 ( -0.829 -2.207 -0.213) 2.367 3.305 ( -0.486 1.422 -2.236) 2.694 3.402 ( 0.084 -0.882 0.410) 0.976 3.444 ( 0.271 -0.339 2.139) 2.183 3.473 ( -0.698 1.202 0.213) 1.406 3.518 ( 4.072 -4.045 -3.048) 6.498 3.567 ( 5.678 1.474 -4.215) 7.223 3.647 ( 0.568 5.114 -0.053) 5.146 3.703 ( -9.750 0.397 1.944) 9.950 3.799 ( -3.667 1.235 3.311) 5.092 3.846 ( 4.121 -0.820 1.155) 4.357 3.896 ( 3.806 0.106 0.923) 3.917 3.923 ( 2.763 -5.780 -1.000) 6.484 3.963 ( -2.705 5.197 -4.796) 7.571 4.071 ( 3.968 -5.627 -1.115) 6.975 4.116 ( -4.448 -0.521 -0.987) 4.586 4.228 ( 4.189 -1.594 1.102) 4.615 4.306 ( -7.150 -1.503 0.050) 7.307 4.433 ( 1.340 -7.602 3.083) 8.313 4.480 ( -0.445 -1.505 1.597) 2.240 4.593 ( -4.829 0.572 -0.783) 4.925 4.627 ( 1.362 -3.678 6.417) 7.520 4.699 ( 1.297 -0.265 -0.348) 1.369 4.786 ( 2.565 0.079 -3.553) 4.383 4.804 ( 4.288 1.394 -1.749) 4.836 4.878 ( -1.840 2.636 -0.290) 3.228 4.945 ( -0.804 0.711 -7.513) 7.589 5.104 ( 2.504 -2.265 0.190) 3.382 5.211 ( -2.322 -5.169 -3.383) 6.599 5.274 ( -0.271 -3.986 -1.676) 4.333 5.415 ( -2.153 3.519 6.439) 7.647 5.523 ( 3.104 -3.863 -2.010) 5.347 5.564 ( 3.052 -5.344 -3.267) 6.968 5.694 ( -3.906 -0.402 2.710) 4.771 5.848 ( 0.561 0.169 4.120) 4.161 5.993 ( -1.193 1.109 -3.155) 3.551 6.001 ( 2.925 -0.996 1.693) 3.523 6.018 ( 0.529 2.709 0.455) 2.798 6.079 ( -0.268 1.294 4.861) 5.038 6.158 ( -0.099 -0.339 -1.831) 1.865 6.233 ( 0.931 3.402 1.528) 3.844 6.305 ( -0.300 3.749 -0.270) 3.771 6.373 ( 3.141 3.680 -1.431) 5.045 6.391 ( -5.481 3.708 -2.567) 7.098 6.510 ( 0.647 -2.045 4.167) 4.687 6.599 ( 2.370 -1.866 -0.717) 3.101 6.653 ( 1.093 4.293 2.125) 4.913 6.709 ( -2.563 -2.197 2.144) 3.999 6.823 ( 3.071 0.706 -4.062) 5.141 6.908 ( -10.565 -1.582 2.554) 10.983 6.990 ( -0.655 2.754 -4.527) 5.339 7.057 ( 2.049 -1.965 1.341) 3.140 7.062 ( -1.575 -1.446 -0.085) 2.140 7.197 ( -2.932 -2.793 4.154) 5.801 7.271 ( 1.545 2.160 -7.589) 8.040 7.323 ( 1.606 0.937 -0.348) 1.892 7.415 ( 3.548 -3.624 -3.699) 6.278 7.614 ( 0.089 -3.334 -0.206) 3.342 7.755 ( 0.587 7.714 3.338) 8.426 7.898 ( -0.383 3.237 0.569) 3.309 7.944 ( 2.254 8.437 -4.695) 9.915 8.265 ( -3.846 -4.872 8.484) 10.512 8.275 ( -3.910 -0.398 -2.226) 4.517 8.372 ( 2.853 0.704 1.854) 3.474 8.403 ( 2.047 3.029 3.188) 4.850 8.472 ( -0.634 4.254 1.235) 4.475 8.535 ( -3.587 -1.232 -4.036) 5.539 8.670 ( 1.176 2.886 2.147) 3.784 8.731 ( 6.984 -3.481 -4.995) 9.266 8.787 ( 3.135 1.299 1.801) 3.841 8.863 ( -0.378 -2.927 1.657) 3.385 8.902 ( -3.444 -1.379 -0.031) 3.710 8.926 ( 0.397 0.583 -1.224) 1.412 8.973 ( -2.518 -2.922 -0.161) 3.860 9.037 ( -3.873 1.093 0.360) 4.040 9.123 ( -0.918 2.898 -4.485) 5.418 9.134 ( -3.563 2.128 0.159) 4.153 9.230 ( -0.919 0.804 -1.869) 2.233 9.304 ( 1.354 -1.055 0.720) 1.861 9.449 ( 5.399 4.421 -2.204) 7.318 9.544 ( -2.926 0.880 -2.244) 3.791 9.597 ( -2.949 4.628 7.505) 9.297 9.728 ( -1.411 0.162 -2.576) 2.941 9.926 ( -2.327 3.312 5.428) 6.772 10.101 ( -6.131 -8.713 11.544) 15.708 10.317 ( -0.168 -3.661 -1.725) 4.050 10.338 ( 2.731 0.702 1.376) 3.138 10.357 ( 1.971 0.020 4.114) 4.562 10.503 ( -0.552 -1.861 -1.190) 2.277 10.621 ( -1.903 0.377 -0.303) 1.964 10.721 ( 5.711 -4.954 -3.761) 8.444 10.758 ( -2.903 -0.822 -1.116) 3.217 10.812 ( -1.994 -0.871 -1.356) 2.564 10.918 ( -0.840 -1.285 -5.727) 5.929 11.038 ( 5.398 -11.767 0.133) 12.947 11.132 ( 9.225 -2.522 -0.881) 9.604 11.378 ( 1.774 6.806 -4.086) 8.134 11.470 ( -11.188 4.492 -6.024) 13.477 11.537 ( 0.220 4.738 0.319) 4.754 11.613 ( -0.496 1.576 -2.074) 2.652 11.654 ( 4.676 2.795 2.429) 5.964 11.743 ( 4.984 2.014 1.832) 5.680 11.792 ( -0.656 -3.341 -0.860) 3.512 11.972 ( -7.543 0.681 -4.877) 9.008 12.019 ( 1.164 -5.436 -3.818) 6.744 12.082 ( 1.638 -2.118 -2.725) 3.820 12.127 ( 3.346 7.462 -5.210) 9.696 12.306 ( -1.185 4.063 -3.395) 5.426 12.655 ( 1.920 -7.656 3.145) 8.496 12.773 ( 1.834 -2.713 6.048) 6.878 12.948 ( 6.788 -7.215 2.167) 10.140 13.000 ( 2.237 -6.817 4.963) 8.724 13.165 ( 2.384 3.091 -1.489) 4.178 13.262 ( -6.626 0.998 0.844) 6.753 13.381 ( 3.810 3.617 -14.047) 14.998 13.506 ( 3.272 4.205 -4.038) 6.685 13.608 ( -4.654 1.937 0.351) 5.053 13.647 ( 1.546 1.245 5.157) 5.526 14.287 ( -2.243 0.897 1.206) 2.700 14.436 ( -0.346 -1.179 1.534) 1.965 14.558 ( -2.172 2.965 4.778) 6.028 14.677 ( -1.585 3.396 0.179) 3.752 15.028 ( -1.951 0.180 2.847) 3.456 15.157 ( -2.556 -8.324 10.410) 13.572 15.307 ( -0.966 -2.648 -0.624) 2.887 15.404 ( 1.585 -1.128 -0.331) 1.973 16.151 ( 0.273 1.891 3.967) 4.403 16.355 ( 0.803 -3.327 1.539) 3.752 16.421 ( 0.550 1.982 -2.471) 3.215 16.515 ( -0.496 0.463 -2.695) 2.779 19.982 ( 0.905 0.974 -0.171) 1.340 20.030 ( 2.111 2.078 -2.702) 4.009 20.099 ( -3.995 -1.188 0.515) 4.200 20.156 ( -0.955 -1.699 -1.060) 2.218 20.843 ( -0.702 3.599 2.029) 4.190 20.937 ( 0.202 3.538 -0.557) 3.587 21.010 ( 0.601 8.946 2.129) 9.216 21.083 ( -2.066 -2.366 1.916) 3.680 21.207 ( 1.065 0.629 -2.846) 3.103 21.450 ( -2.033 16.260 -13.608) 21.300 21.537 ( -0.991 5.114 -3.359) 6.199 21.661 ( 0.007 3.183 -0.107) 3.185 21.869 ( 1.095 -0.288 1.461) 1.848 21.950 ( -1.240 6.533 -3.902) 7.711 22.567 ( 1.500 -8.569 -0.389) 8.708 22.689 ( 2.270 -0.209 0.541) 2.343 22.797 ( -0.054 -2.752 -3.730) 4.636 22.820 ( 0.929 -5.206 -1.253) 5.435 22.980 ( -1.304 -2.111 -3.621) 4.390 23.037 ( -0.962 -3.565 -2.923) 4.710 23.474 ( 1.138 4.881 8.759) 10.091 23.790 ( 1.911 -11.116 3.135) 11.706 24.437 ( 3.292 -4.555 19.188) 19.994 24.945 ( 2.119 -3.569 -5.738) 7.082 25.698 ( 0.147 0.323 -0.037) 0.357 25.699 ( -0.092 0.310 -0.077) 0.333 25.726 ( -0.052 -0.387 0.186) 0.433 25.731 ( -3.439 -0.686 0.235) 3.514 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 16.530 14.174 13.371) 25.553 1.139 ( 19.408 13.211 18.317) 29.778 1.720 ( -0.178 -4.128 -16.786) 17.287 1.876 ( 23.392 25.918 16.714) 38.707 2.040 ( 15.602 -5.572 -14.328) 21.903 2.174 ( 4.400 -1.616 -6.424) 7.952 2.370 ( 5.122 -3.236 -0.879) 6.122 2.380 ( 2.575 -2.198 1.047) 3.544 2.496 ( 0.506 -2.200 0.811) 2.399 2.539 ( 2.236 0.617 3.626) 4.304 2.610 ( -0.315 -0.512 -3.165) 3.222 2.700 ( 2.326 -2.253 -0.637) 3.301 2.715 ( 1.804 1.528 1.203) 2.653 2.725 ( -1.506 -0.686 -1.641) 2.331 2.792 ( -2.738 -0.876 5.016) 5.781 2.840 ( -6.361 4.412 -2.580) 8.160 2.851 ( 1.282 2.409 -1.861) 3.303 2.944 ( 1.762 2.283 0.926) 3.029 3.024 ( 4.951 1.803 1.888) 5.597 3.072 ( -5.787 -0.529 0.549) 5.837 3.125 ( 1.989 4.437 -0.452) 4.883 3.201 ( -1.044 -1.196 3.229) 3.598 3.259 ( -1.947 -0.753 -1.634) 2.651 3.353 ( 2.161 -2.820 0.695) 3.620 3.374 ( 3.829 0.287 -3.811) 5.410 3.436 ( -0.321 -1.315 -0.979) 1.670 3.460 ( -1.203 -0.959 -0.518) 1.623 3.542 ( 2.691 2.574 -1.708) 4.097 3.608 ( 0.109 0.595 2.782) 2.847 3.666 ( 3.323 -1.798 -1.233) 3.974 3.723 ( -1.729 2.493 1.901) 3.580 3.731 ( 1.600 7.754 -2.585) 8.328 3.846 ( -2.247 6.768 -1.778) 7.350 3.911 ( 0.824 -2.060 -3.525) 4.165 3.965 ( 2.151 -2.604 -0.552) 3.422 3.994 ( 6.007 -4.663 -3.127) 8.222 4.087 ( -4.179 2.657 0.598) 4.988 4.146 ( 3.459 1.176 4.017) 5.430 4.231 ( 4.319 -2.276 3.578) 6.052 4.347 ( 3.737 0.937 -1.688) 4.207 4.459 ( 0.627 2.467 -7.342) 7.771 4.538 ( 2.249 -9.904 4.913) 11.282 4.569 ( 3.707 0.840 0.487) 3.832 4.639 ( -1.818 -4.745 -0.036) 5.081 4.733 ( 2.574 -1.938 3.338) 4.639 4.799 ( 1.522 1.875 -0.183) 2.422 4.812 ( 3.108 -1.893 -4.965) 6.156 4.930 ( 2.605 -0.002 -2.874) 3.879 4.986 ( 8.632 -0.975 -5.063) 10.055 5.103 ( -2.836 0.308 -0.010) 2.853 5.172 ( -2.808 -5.550 0.363) 6.230 5.232 ( 0.998 -7.720 -1.144) 7.868 5.395 ( -5.315 3.397 4.558) 7.782 5.461 ( -6.296 -1.580 -1.878) 6.757 5.518 ( -2.501 -2.246 -6.632) 7.435 5.658 ( -3.482 -4.360 -0.487) 5.602 5.848 ( -4.575 1.088 2.938) 5.545 5.883 ( -3.960 -0.578 -1.326) 4.216 5.925 ( -9.106 4.789 0.785) 10.319 6.009 ( -6.149 -1.995 2.917) 7.092 6.052 ( -5.104 -0.354 2.438) 5.667 6.143 ( 0.036 3.625 -2.493) 4.400 6.212 ( -4.570 -3.363 1.349) 5.832 6.256 ( -5.963 5.148 -1.787) 8.078 6.271 ( -2.076 6.363 1.753) 6.919 6.451 ( -0.602 0.745 -1.795) 2.034 6.532 ( 0.287 -0.320 0.823) 0.929 6.608 ( -8.535 -0.329 -0.610) 8.563 6.645 ( -8.010 3.012 1.963) 8.780 6.693 ( 5.537 3.460 2.230) 6.900 6.787 ( 6.989 -2.183 -1.065) 7.399 6.846 ( 0.443 10.243 -1.935) 10.433 6.974 ( 0.326 0.406 1.313) 1.413 7.043 ( -1.162 -0.807 3.020) 3.335 7.109 ( 3.201 -4.355 -1.347) 5.570 7.118 ( -4.580 -6.343 2.652) 8.261 7.257 ( 2.460 -1.044 -4.589) 5.310 7.423 ( 3.249 0.072 4.306) 5.395 7.457 ( 2.603 -1.096 -2.814) 3.987 7.547 ( -3.594 -2.975 -3.895) 6.078 7.756 ( -5.248 3.568 1.266) 6.471 7.804 ( -7.421 6.046 6.936) 11.821 7.932 ( -1.387 10.075 0.484) 10.182 8.039 ( -11.476 -4.107 3.994) 12.826 8.299 ( -5.265 1.039 -1.754) 5.646 8.388 ( 1.471 -1.247 -2.831) 3.425 8.413 ( 1.980 1.051 3.292) 3.983 8.474 ( 3.626 3.550 2.661) 5.731 8.584 ( 6.294 2.206 0.486) 6.687 8.664 ( -1.918 -0.063 1.582) 2.488 8.769 ( -2.312 -3.328 -2.638) 4.835 8.821 ( -1.233 -3.784 -3.780) 5.489 8.855 ( -1.072 1.594 -3.202) 3.734 8.895 ( 1.201 0.637 -0.148) 1.367 8.911 ( 0.543 0.584 5.327) 5.387 8.974 ( 1.011 -2.411 -1.876) 3.218 9.044 ( 2.929 1.692 1.701) 3.786 9.100 ( 1.211 -0.234 1.351) 1.830 9.139 ( 3.910 2.815 -2.200) 5.297 9.254 ( 4.050 1.231 1.805) 4.602 9.372 ( 3.058 -1.472 1.728) 3.809 9.430 ( -5.057 1.777 -3.518) 6.411 9.480 ( 1.281 2.120 -1.296) 2.796 9.611 ( -1.166 5.699 3.091) 6.587 9.776 ( 4.417 2.408 -0.623) 5.069 9.905 ( -3.093 3.571 3.745) 6.029 10.079 ( -3.453 -9.832 5.189) 11.642 10.191 ( -6.673 -1.314 -5.708) 8.879 10.352 ( -2.755 0.153 1.237) 3.024 10.377 ( -3.581 -1.518 6.739) 7.781 10.478 ( -10.304 0.686 0.390) 10.334 10.518 ( 0.155 -4.656 0.494) 4.685 10.654 ( -0.696 1.686 -3.277) 3.750 10.750 ( -2.637 -1.166 -4.690) 5.505 10.808 ( -3.476 -2.316 2.876) 5.072 10.883 ( 4.079 0.918 2.450) 4.846 11.128 ( 0.847 -5.848 2.006) 6.241 11.247 ( -0.104 -9.176 -4.364) 10.161 11.378 ( 6.343 1.965 -4.612) 8.085 11.483 ( 5.222 1.651 0.566) 5.506 11.595 ( 8.192 1.854 -2.410) 8.739 11.648 ( 4.789 2.644 -0.874) 5.540 11.793 ( 8.237 3.499 2.616) 9.324 11.813 ( 3.822 -1.276 -5.344) 6.693 11.844 ( 1.275 -4.861 -5.329) 7.324 12.002 ( 9.496 -0.798 2.088) 9.755 12.034 ( 8.580 -3.395 -5.050) 10.519 12.122 ( 4.620 -2.818 -2.598) 6.002 12.220 ( 8.434 7.603 -2.099) 11.547 12.245 ( -0.903 3.105 -6.956) 7.670 12.758 ( 6.499 -12.091 1.042) 13.766 12.907 ( 7.066 -1.840 5.388) 9.074 13.011 ( -0.049 -5.023 -1.009) 5.123 13.063 ( -0.149 -5.137 -1.875) 5.471 13.204 ( 0.650 2.616 -1.508) 3.089 13.252 ( 7.596 2.687 0.873) 8.105 13.440 ( 6.134 5.280 -9.617) 12.570 13.491 ( 3.823 2.150 -6.985) 8.248 13.683 ( 11.588 -4.470 3.314) 12.855 13.803 ( 10.409 -1.818 1.475) 10.669 14.247 ( -3.921 2.110 4.086) 6.043 14.391 ( -4.425 2.576 -0.852) 5.191 14.532 ( -4.224 2.315 5.530) 7.334 14.646 ( -2.023 2.741 0.171) 3.411 14.986 ( -4.376 -0.050 2.664) 5.124 15.135 ( -6.433 -5.692 7.339) 11.298 15.256 ( -2.577 0.499 -2.320) 3.503 15.424 ( 0.593 -2.324 0.051) 2.399 16.116 ( -6.630 2.085 4.278) 8.161 16.330 ( -4.215 -3.283 1.489) 5.546 16.350 ( -5.827 1.720 -2.415) 6.538 16.432 ( -6.110 -0.114 -2.287) 6.525 20.003 ( 0.948 1.578 -0.763) 1.993 20.038 ( 2.812 1.888 -0.829) 3.487 20.149 ( 3.011 -3.371 -0.652) 4.567 20.207 ( 9.190 -3.924 -2.415) 10.280 20.841 ( -0.709 5.225 2.119) 5.683 20.937 ( 0.413 3.741 -0.450) 3.791 21.067 ( 3.384 8.531 1.647) 9.324 21.082 ( 0.377 -1.743 1.808) 2.539 21.218 ( 2.349 12.222 -4.946) 13.392 21.316 ( -1.923 9.514 -6.265) 11.553 21.569 ( 1.792 0.811 2.577) 3.242 21.650 ( -0.902 -0.096 -0.518) 1.044 21.885 ( -0.520 1.042 -0.084) 1.168 21.938 ( 2.067 1.629 0.956) 2.800 22.578 ( -1.762 -10.322 1.545) 10.585 22.673 ( -4.337 -6.035 -3.757) 8.327 22.752 ( -0.622 -2.400 1.659) 2.983 22.875 ( 4.004 -0.689 -5.386) 6.747 22.956 ( 2.796 -1.081 -1.159) 3.214 22.987 ( -1.764 -2.812 -4.616) 5.685 23.416 ( -11.490 5.250 11.741) 17.246 23.712 ( -9.172 -7.744 2.250) 12.213 24.365 ( -18.515 3.161 15.886) 24.600 24.713 ( -15.843 0.127 -3.946) 16.328 25.719 ( 2.133 0.138 -0.165) 2.144 25.731 ( 2.945 0.803 -0.168) 3.058 25.764 ( 3.537 -0.963 1.447) 3.941 25.877 ( 11.441 -4.464 -4.830) 13.197 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 23.245 9.722 9.555) 26.947 1.625 ( 20.776 7.092 16.440) 27.426 1.708 ( 9.396 1.605 -11.629) 15.037 2.141 ( 8.753 1.082 -13.599) 16.208 2.267 ( 5.140 -5.264 0.107) 7.358 2.349 ( 11.817 -5.519 1.274) 13.104 2.407 ( -0.474 0.272 -3.207) 3.253 2.422 ( 1.007 -2.184 -1.278) 2.723 2.517 ( 2.347 -3.453 4.648) 6.248 2.535 ( -8.379 3.067 -4.148) 9.840 2.563 ( 2.281 -1.471 -4.748) 5.469 2.667 ( 0.573 5.302 -1.097) 5.445 2.687 ( 1.001 -2.935 -3.677) 4.810 2.709 ( -3.486 -3.165 -0.515) 4.737 2.782 ( -4.143 -2.743 1.573) 5.212 2.822 ( -0.530 0.715 0.960) 1.309 2.874 ( -1.506 1.418 1.784) 2.731 2.948 ( 3.742 2.458 2.361) 5.062 2.987 ( 1.469 0.512 -0.189) 1.567 3.135 ( -0.730 0.841 0.072) 1.116 3.204 ( 7.172 -0.684 3.315) 7.931 3.271 ( 3.815 -0.233 4.370) 5.806 3.306 ( 5.802 4.760 4.230) 8.615 3.348 ( 3.876 -0.176 2.315) 4.518 3.386 ( -2.667 0.098 -6.018) 6.583 3.433 ( 2.243 2.868 1.389) 3.897 3.537 ( 5.429 -4.744 2.696) 7.697 3.588 ( -1.362 3.259 -0.825) 3.627 3.619 ( 0.678 -0.774 2.611) 2.806 3.642 ( 1.256 6.970 -0.758) 7.123 3.687 ( -1.766 4.884 0.424) 5.210 3.769 ( -3.549 2.128 -0.201) 4.143 3.831 ( 6.715 6.378 -0.927) 9.307 3.911 ( 2.215 1.510 -3.760) 4.618 3.954 ( -2.494 1.265 -4.208) 5.053 4.062 ( 6.525 -0.890 -1.846) 6.839 4.135 ( 9.441 3.757 -3.016) 10.600 4.230 ( 1.235 1.537 8.932) 9.147 4.331 ( 2.635 0.634 3.755) 4.631 4.398 ( 2.743 1.997 -2.227) 4.058 4.498 ( 6.480 0.208 -8.047) 10.334 4.551 ( -4.928 1.572 -0.761) 5.228 4.602 ( -0.842 -1.337 -0.827) 1.783 4.618 ( 2.797 -6.679 8.557) 11.210 4.809 ( 4.966 -1.950 -4.034) 6.689 4.843 ( 3.017 -7.919 -0.542) 8.491 4.879 ( -10.577 1.283 -2.459) 10.935 4.898 ( 2.909 -5.570 2.919) 6.929 4.989 ( -3.813 -2.232 -3.573) 5.682 5.074 ( 1.394 2.122 -1.929) 3.188 5.119 ( 5.466 -1.793 -3.651) 6.813 5.271 ( -9.128 -3.609 -1.511) 9.931 5.292 ( 2.943 -2.066 -5.546) 6.609 5.428 ( 4.793 5.464 4.345) 8.468 5.485 ( 3.927 -3.217 -3.424) 6.123 5.571 ( -4.101 -1.181 -3.188) 5.327 5.693 ( -11.816 5.050 0.856) 12.879 5.732 ( -8.030 1.669 -0.033) 8.202 5.857 ( -9.311 -0.163 1.856) 9.495 5.885 ( -4.290 -1.648 3.570) 5.819 5.944 ( -5.407 0.287 -0.157) 5.417 6.070 ( -7.212 1.594 -0.483) 7.402 6.117 ( -6.279 -2.763 0.245) 6.865 6.172 ( -3.766 4.289 0.901) 5.779 6.186 ( -8.715 4.671 -3.210) 10.396 6.309 ( -8.636 3.507 1.795) 9.492 6.453 ( -1.720 -0.068 1.111) 2.049 6.530 ( -4.344 2.566 1.252) 5.199 6.660 ( 4.963 -2.597 0.869) 5.668 6.808 ( 3.704 1.828 3.889) 5.673 6.848 ( 2.813 2.007 -1.558) 3.791 6.936 ( 3.941 4.197 2.558) 6.300 6.990 ( -1.396 0.173 1.203) 1.851 7.018 ( 0.781 -3.154 1.940) 3.784 7.101 ( -1.531 -8.111 -1.047) 8.321 7.143 ( 1.375 -4.207 -0.361) 4.440 7.291 ( 2.899 -2.635 -2.256) 4.521 7.380 ( 0.213 -0.916 -7.655) 7.712 7.495 ( -1.285 -1.841 0.569) 2.316 7.536 ( 1.486 2.513 3.014) 4.196 7.626 ( -7.880 1.695 4.846) 9.405 7.750 ( -5.161 6.820 5.146) 9.981 7.886 ( -7.232 -2.695 4.537) 8.953 7.918 ( -1.894 6.756 -0.381) 7.027 8.155 ( -6.505 4.354 0.167) 7.830 8.431 ( 4.540 -5.556 -7.007) 10.029 8.508 ( 3.548 -2.398 2.178) 4.805 8.557 ( 2.232 0.197 0.760) 2.366 8.654 ( -0.446 2.024 3.547) 4.108 8.656 ( -0.652 -2.007 -2.376) 3.178 8.689 ( 0.489 -1.182 -8.073) 8.174 8.740 ( 0.030 -0.590 -0.552) 0.808 8.875 ( 1.465 2.299 2.152) 3.473 8.900 ( 0.521 4.487 -0.081) 4.518 8.968 ( 2.688 3.485 3.164) 5.420 9.017 ( 1.464 0.218 -3.506) 3.805 9.048 ( 2.393 0.693 3.399) 4.214 9.194 ( 2.781 0.908 0.689) 3.005 9.222 ( 3.538 -4.024 6.430) 8.370 9.284 ( -4.833 2.588 -1.657) 5.727 9.364 ( 0.897 1.116 2.236) 2.655 9.427 ( 4.028 -1.649 0.720) 4.411 9.547 ( 6.005 2.074 -0.173) 6.356 9.606 ( 0.390 4.331 -2.458) 4.995 9.837 ( -0.794 -0.263 8.874) 8.913 9.876 ( -1.611 4.606 -1.105) 5.003 10.004 ( -3.924 -6.724 -2.284) 8.114 10.074 ( -5.496 -1.802 1.570) 5.993 10.276 ( -5.129 1.232 -1.079) 5.384 10.324 ( -5.454 0.629 -2.075) 5.869 10.358 ( -2.196 2.307 3.692) 4.875 10.489 ( -1.885 -6.463 -0.575) 6.756 10.600 ( -5.418 2.442 -3.876) 7.095 10.647 ( -2.784 -1.170 -4.117) 5.106 10.798 ( -1.080 3.261 10.789) 11.322 10.947 ( -1.245 -3.988 -0.230) 4.184 11.134 ( -3.427 -7.597 -4.616) 9.527 11.218 ( 3.153 1.656 5.876) 6.871 11.446 ( 4.109 0.893 -4.941) 6.489 11.564 ( 4.131 0.567 0.911) 4.268 11.703 ( 5.521 0.969 -0.969) 5.689 11.787 ( 6.397 -2.157 -7.862) 10.363 11.839 ( 9.203 -0.061 -4.931) 10.441 11.926 ( 4.235 -3.409 1.983) 5.787 11.968 ( 6.124 -0.894 3.668) 7.194 12.081 ( 6.477 -5.534 -0.296) 8.524 12.142 ( -0.707 -3.732 -3.367) 5.076 12.187 ( 2.783 -3.084 -2.723) 4.967 12.285 ( 10.504 5.152 -3.845) 12.315 12.371 ( 9.771 5.685 -2.652) 11.612 12.844 ( 4.074 -11.711 -3.945) 13.012 13.008 ( 1.046 -8.641 -2.769) 9.134 13.021 ( -1.036 -1.084 -1.435) 2.075 13.074 ( 3.524 -4.249 1.603) 5.748 13.274 ( 8.086 2.898 3.297) 9.201 13.317 ( 1.891 1.836 -15.273) 15.499 13.472 ( 7.135 9.798 0.302) 12.124 13.619 ( 8.527 4.150 2.179) 9.730 13.895 ( 4.528 -4.426 5.658) 8.491 14.026 ( 13.582 -5.250 -4.021) 15.107 14.211 ( -0.995 2.196 2.688) 3.610 14.296 ( -4.915 4.216 1.028) 6.556 14.485 ( -4.869 2.658 6.165) 8.293 14.602 ( -2.872 3.289 -0.167) 4.369 14.912 ( -6.582 -0.260 4.630) 8.051 15.033 ( -7.122 -2.318 2.806) 7.998 15.202 ( -1.839 0.869 -2.117) 2.936 15.422 ( -0.725 -3.507 -0.371) 3.600 15.993 ( -9.014 2.379 4.046) 10.163 16.206 ( -6.358 1.624 -4.075) 7.724 16.252 ( -5.643 -4.769 2.466) 7.789 16.291 ( -6.587 -0.911 -2.510) 7.108 20.025 ( 1.993 1.230 -0.681) 2.439 20.092 ( 3.188 1.008 -1.330) 3.598 20.210 ( 3.313 -4.538 1.604) 5.844 20.361 ( 8.493 -7.552 -2.407) 11.617 20.860 ( 1.439 8.351 2.479) 8.829 20.950 ( 1.801 4.407 -1.046) 4.874 21.096 ( -0.161 1.503 0.774) 1.698 21.126 ( 1.487 7.763 -0.136) 7.905 21.224 ( 2.160 11.383 -1.881) 11.738 21.321 ( 2.754 3.721 0.361) 4.643 21.574 ( -2.605 0.800 1.152) 2.958 21.637 ( -0.254 1.727 -0.757) 1.903 21.914 ( 5.073 -2.204 -0.687) 5.573 22.020 ( 5.761 -1.447 2.588) 6.479 22.474 ( -8.712 -8.001 -1.731) 11.954 22.579 ( -7.123 -12.251 0.204) 14.173 22.702 ( -2.551 0.407 -2.021) 3.280 22.854 ( -2.739 -3.232 -5.052) 6.593 22.957 ( 3.689 3.112 -6.103) 7.780 23.084 ( 8.107 -1.095 1.000) 8.242 23.305 ( -7.635 4.904 12.595) 15.523 23.563 ( -7.639 -5.582 2.125) 9.697 24.100 ( -19.083 7.599 10.967) 23.285 24.381 ( -16.387 -0.300 -6.619) 17.676 25.764 ( 2.669 0.139 -0.339) 2.694 25.789 ( 3.156 1.273 -0.310) 3.417 25.843 ( 2.816 -1.369 2.881) 4.255 26.003 ( 6.186 -4.262 -4.207) 8.610 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 19.086 5.209 6.145) 20.716 1.887 ( 13.293 4.878 -0.223) 14.161 2.076 ( 15.089 1.331 10.757) 18.579 2.098 ( -8.423 -0.235 -2.768) 8.870 2.258 ( -6.176 -2.302 -1.477) 6.754 2.282 ( -6.265 -0.851 -5.652) 8.480 2.346 ( -5.181 -1.218 1.425) 5.510 2.402 ( 1.406 1.337 -0.804) 2.100 2.441 ( -1.356 -5.225 -2.338) 5.882 2.539 ( -1.226 -1.088 -0.301) 1.666 2.577 ( 1.061 -5.960 -1.311) 6.194 2.662 ( 4.488 -5.579 2.026) 7.441 2.706 ( 1.565 -2.315 -3.727) 4.658 2.753 ( 2.974 -1.988 0.392) 3.599 2.764 ( 3.586 -1.598 0.349) 3.941 2.817 ( 0.059 -2.945 2.584) 3.919 2.949 ( 3.761 0.620 -1.138) 3.978 2.998 ( 0.639 0.376 0.103) 0.748 3.066 ( 3.962 5.818 5.959) 9.223 3.112 ( -0.649 -0.248 0.129) 0.707 3.190 ( -3.250 -1.949 -1.356) 4.025 3.273 ( -1.719 -3.661 -7.550) 8.565 3.323 ( -0.467 0.823 -2.086) 2.291 3.384 ( -1.786 1.469 6.465) 6.866 3.430 ( -0.145 1.099 1.319) 1.723 3.493 ( -1.034 6.000 -2.267) 6.497 3.525 ( -1.898 4.974 2.461) 5.865 3.564 ( -0.955 4.121 -2.111) 4.728 3.656 ( -0.827 6.094 -1.090) 6.246 3.715 ( 4.238 0.847 4.058) 5.928 3.802 ( 4.720 3.341 -1.799) 6.056 3.842 ( 7.506 3.418 3.423) 8.930 3.849 ( 4.545 1.207 1.402) 4.907 3.976 ( 2.969 0.732 -2.099) 3.709 4.007 ( 9.092 3.370 -0.253) 9.699 4.145 ( 1.468 -1.146 1.158) 2.193 4.258 ( 0.204 -0.172 -1.875) 1.894 4.290 ( -9.943 2.435 3.709) 10.888 4.337 ( -1.173 3.650 -1.437) 4.094 4.368 ( -5.624 0.752 -1.268) 5.814 4.409 ( -4.960 3.370 -1.290) 6.133 4.457 ( 0.029 2.808 2.699) 3.895 4.517 ( 0.690 -0.144 -4.546) 4.600 4.711 ( 1.055 1.221 -3.503) 3.856 4.813 ( 5.522 -2.099 2.480) 6.407 4.854 ( -1.309 -5.545 -2.036) 6.050 4.907 ( 7.870 1.072 -5.048) 9.411 4.942 ( 1.147 -2.376 4.201) 4.961 4.979 ( 1.571 -3.588 -4.548) 6.002 5.033 ( 2.042 -5.327 2.186) 6.109 5.155 ( 1.849 0.303 -3.467) 3.941 5.264 ( 2.772 2.502 3.408) 5.055 5.333 ( -0.290 1.176 -0.285) 1.245 5.433 ( -6.327 0.741 -0.035) 6.370 5.482 ( -0.315 -1.843 -4.053) 4.464 5.509 ( 4.710 1.528 0.367) 4.965 5.625 ( -4.459 2.612 1.864) 5.494 5.662 ( 3.199 1.873 -0.076) 3.708 5.752 ( -4.123 0.945 -0.061) 4.230 5.780 ( -1.591 1.779 0.187) 2.394 5.891 ( -5.625 1.306 -0.392) 5.788 5.935 ( -5.074 2.689 -0.757) 5.792 5.985 ( -4.391 0.677 0.215) 4.448 6.009 ( -5.789 -3.608 -0.119) 6.822 6.098 ( -5.333 3.442 1.117) 6.445 6.233 ( -1.578 2.852 -0.529) 3.302 6.448 ( -1.404 -2.807 2.149) 3.803 6.533 ( 2.899 0.065 0.210) 2.907 6.718 ( 1.371 -4.091 -0.691) 4.369 6.814 ( -3.613 -2.841 -1.206) 4.752 6.885 ( -0.889 1.245 3.682) 3.987 6.919 ( -1.544 1.933 -2.451) 3.482 7.024 ( 0.886 -3.261 1.574) 3.728 7.046 ( 4.758 -4.181 -0.061) 6.334 7.113 ( 0.599 -1.851 1.943) 2.749 7.168 ( 0.753 -5.140 4.365) 6.785 7.317 ( 1.158 -2.615 -0.716) 2.948 7.409 ( 3.088 1.954 -1.262) 3.866 7.456 ( -0.731 -1.749 -0.401) 1.937 7.488 ( -6.136 4.376 1.667) 7.719 7.601 ( 0.864 1.265 -0.340) 1.569 7.690 ( -3.997 4.948 2.988) 7.027 7.812 ( -3.024 -1.053 3.117) 4.468 7.878 ( -3.341 2.678 0.773) 4.351 8.098 ( -0.560 6.840 2.223) 7.214 8.451 ( 3.923 -4.795 -8.514) 10.530 8.511 ( -1.870 2.154 -3.490) 4.507 8.571 ( 0.104 -1.735 0.971) 1.991 8.610 ( 0.052 1.188 -3.627) 3.817 8.679 ( 2.600 -3.553 1.143) 4.548 8.706 ( 0.437 2.527 2.308) 3.450 8.778 ( 1.245 0.248 -2.739) 3.019 8.848 ( -1.996 -2.537 -1.834) 3.713 8.976 ( 2.600 4.037 2.418) 5.377 9.019 ( 2.206 3.750 -2.176) 4.865 9.042 ( 1.356 -1.156 6.313) 6.560 9.114 ( 1.417 5.100 3.889) 6.569 9.195 ( -1.663 -2.610 1.331) 3.368 9.233 ( -2.200 -0.250 4.678) 5.175 9.282 ( 1.254 -4.755 4.604) 6.737 9.417 ( 2.879 1.675 -1.504) 3.654 9.494 ( 0.996 1.970 1.705) 2.789 9.575 ( -0.655 3.778 -0.859) 3.929 9.693 ( 8.506 1.472 -1.818) 8.822 9.810 ( -2.720 0.753 0.742) 2.918 9.849 ( -4.282 -0.749 6.308) 7.661 9.952 ( -4.172 2.626 0.444) 4.950 9.991 ( -4.257 -4.798 2.475) 6.875 10.196 ( -0.516 1.958 -3.848) 4.348 10.244 ( -0.410 -3.633 -3.513) 5.070 10.333 ( -3.321 5.736 -1.267) 6.748 10.457 ( 0.628 -2.853 -2.909) 4.123 10.538 ( 1.039 -3.405 1.332) 3.801 10.578 ( -1.431 2.020 -2.901) 3.814 10.855 ( -3.350 1.731 9.026) 9.782 10.882 ( -2.200 -2.401 0.849) 3.366 11.040 ( -1.876 -2.483 -5.407) 6.239 11.268 ( -1.758 2.192 1.511) 3.190 11.540 ( 6.406 -2.622 3.252) 7.648 11.602 ( -0.132 3.333 0.894) 3.454 11.785 ( 3.293 -0.837 1.587) 3.750 11.858 ( 6.517 -8.704 -7.530) 13.226 11.957 ( 5.383 -1.434 -5.845) 8.075 12.009 ( 6.196 -3.786 0.879) 7.314 12.043 ( -3.745 -4.838 -2.337) 6.549 12.053 ( -1.770 -0.371 1.647) 2.446 12.168 ( 1.683 -5.449 -1.195) 5.827 12.230 ( 2.770 -3.086 -0.789) 4.221 12.430 ( 5.116 5.238 2.017) 7.595 12.541 ( 9.028 6.315 -1.433) 11.110 12.870 ( 1.143 -5.305 -3.901) 6.683 12.948 ( -0.722 -7.363 -8.949) 11.612 13.035 ( 0.730 2.666 -4.584) 5.352 13.079 ( -1.219 -4.371 -2.452) 5.158 13.258 ( 3.951 4.873 -12.717) 14.180 13.403 ( 3.723 -1.738 -0.519) 4.141 13.601 ( 1.383 9.457 5.954) 11.260 13.774 ( 4.597 1.721 4.510) 6.666 13.920 ( -3.034 -4.597 2.688) 6.129 14.138 ( 3.671 -0.650 -1.110) 3.890 14.231 ( -1.331 -0.943 -0.284) 1.656 14.309 ( 2.122 -2.275 2.260) 3.845 14.482 ( 2.660 5.073 7.323) 9.297 14.554 ( -2.358 5.314 1.547) 6.016 14.803 ( -7.825 1.025 5.127) 9.411 14.959 ( -2.655 -2.503 1.997) 4.160 15.172 ( 0.110 1.307 -0.903) 1.592 15.400 ( -0.727 -3.499 -1.499) 3.876 15.871 ( -6.037 2.459 2.536) 6.995 16.099 ( -1.737 1.353 -4.247) 4.784 16.173 ( -3.153 -4.967 0.558) 5.910 16.204 ( -1.626 -2.652 -0.750) 3.200 20.056 ( 1.381 0.840 -0.160) 1.624 20.124 ( 1.346 0.765 -2.012) 2.539 20.276 ( 1.541 -5.631 4.056) 7.108 20.467 ( 4.120 -9.832 -0.542) 10.674 20.918 ( 1.894 10.672 2.746) 11.181 20.992 ( 3.407 5.051 -0.917) 6.161 21.074 ( -2.355 3.579 0.674) 4.337 21.142 ( 0.960 5.061 1.124) 5.273 21.248 ( 0.112 2.162 -0.358) 2.195 21.373 ( 2.694 9.233 -2.048) 9.834 21.553 ( -0.148 1.761 4.716) 5.036 21.622 ( -0.404 4.450 -0.254) 4.475 22.017 ( 5.799 -7.793 -2.999) 10.167 22.190 ( 9.750 -0.652 0.875) 9.811 22.278 ( -10.669 -7.082 -1.127) 12.855 22.401 ( -9.379 -8.500 0.704) 12.677 22.662 ( -0.501 -1.166 -3.536) 3.757 22.783 ( -1.756 -2.094 -1.917) 3.338 22.987 ( 3.917 3.370 -8.553) 9.992 23.145 ( -1.839 -3.050 1.623) 3.913 23.334 ( 0.132 4.474 6.471) 7.868 23.491 ( -2.325 -2.531 3.398) 4.833 23.846 ( -13.864 7.306 5.916) 16.751 24.111 ( -5.220 -1.015 -6.463) 8.369 25.801 ( 1.393 0.084 -0.321) 1.432 25.829 ( 1.394 1.477 -0.536) 2.100 25.887 ( -0.169 -1.173 3.064) 3.286 26.063 ( 3.253 -3.893 -2.725) 5.759 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -24.115 5.809 2.091) 24.893 1.776 ( -22.523 3.668 -0.335) 22.822 2.119 ( -3.912 -2.671 6.357) 7.928 2.259 ( 1.785 -3.810 -3.417) 5.420 2.282 ( 7.181 -0.780 5.019) 8.796 2.308 ( 5.661 2.652 -0.279) 6.257 2.360 ( 6.825 -2.772 0.656) 7.396 2.481 ( 8.575 0.568 1.201) 8.678 2.514 ( 10.153 -1.226 -1.849) 10.393 2.558 ( 2.271 -5.161 1.172) 5.759 2.583 ( -0.513 -1.622 -0.102) 1.704 2.661 ( 0.031 -0.751 -0.620) 0.975 2.764 ( -1.238 -1.693 0.788) 2.241 2.785 ( 1.722 -0.253 -1.626) 2.382 2.815 ( 0.060 -0.965 1.955) 2.181 2.839 ( 2.302 -4.458 3.885) 6.345 2.948 ( -2.619 -0.812 -1.072) 2.944 2.968 ( -4.097 -1.005 0.797) 4.293 3.084 ( -6.673 -0.737 0.240) 6.718 3.100 ( -5.350 2.691 -0.421) 6.004 3.137 ( 0.104 -0.629 -3.762) 3.816 3.224 ( -0.535 1.078 -1.189) 1.692 3.323 ( 0.964 -0.579 -1.999) 2.293 3.344 ( -8.300 5.110 -0.282) 9.750 3.416 ( -3.207 -0.814 4.629) 5.690 3.441 ( 4.631 -0.766 0.751) 4.753 3.524 ( -0.405 4.068 -2.245) 4.663 3.572 ( -7.182 0.093 0.868) 7.235 3.613 ( -0.302 10.246 -0.400) 10.259 3.698 ( -5.939 5.396 0.516) 8.041 3.774 ( -7.053 5.691 1.273) 9.152 3.808 ( 2.575 1.708 1.342) 3.368 3.897 ( 1.678 -0.347 -2.147) 2.747 3.972 ( -0.658 0.271 -0.215) 0.744 4.023 ( -5.803 -0.876 -8.506) 10.334 4.128 ( 0.143 5.555 2.265) 6.001 4.171 ( 2.781 1.636 -3.265) 4.590 4.258 ( 1.397 -2.709 -0.346) 3.068 4.318 ( 1.704 4.497 -2.111) 5.252 4.362 ( -11.445 -1.212 1.468) 11.602 4.428 ( -0.378 0.019 3.579) 3.599 4.502 ( 0.975 0.499 2.653) 2.871 4.547 ( 9.255 0.774 3.720) 10.005 4.677 ( -4.865 -1.294 -0.256) 5.041 4.767 ( 0.050 -5.971 -5.718) 8.268 4.877 ( 0.783 -2.099 -2.398) 3.282 4.912 ( -2.104 2.852 0.050) 3.544 5.010 ( 4.034 -2.251 -4.403) 6.381 5.051 ( -1.200 -0.128 2.772) 3.024 5.142 ( 2.235 1.107 4.078) 4.780 5.183 ( 9.433 0.500 -1.473) 9.561 5.318 ( 6.359 0.223 -3.632) 7.327 5.396 ( 5.658 2.158 4.155) 7.344 5.432 ( 4.253 -2.394 0.540) 4.910 5.454 ( -5.780 3.239 5.192) 8.418 5.546 ( -2.157 3.281 -0.663) 3.983 5.603 ( -10.204 5.454 -4.915) 12.571 5.635 ( 6.969 0.878 -2.511) 7.459 5.696 ( 4.757 -0.349 2.915) 5.590 5.766 ( -5.872 -1.467 -6.882) 9.165 5.817 ( 4.876 -3.559 1.625) 6.252 5.944 ( -0.586 -2.776 -0.262) 2.849 6.009 ( 11.099 3.231 0.718) 11.582 6.024 ( 7.594 0.381 -0.191) 7.606 6.105 ( 4.345 5.088 3.209) 7.420 6.201 ( -1.063 2.634 -1.720) 3.321 6.437 ( -0.795 -1.311 1.804) 2.367 6.535 ( -1.859 -0.713 -0.287) 2.012 6.712 ( -3.037 -2.530 -1.278) 4.155 6.784 ( 2.815 -4.133 -1.082) 5.116 6.862 ( -2.392 1.954 0.817) 3.195 6.910 ( 0.393 2.464 -0.828) 2.629 7.012 ( -2.521 -5.202 0.482) 5.801 7.104 ( -1.618 -2.297 3.916) 4.819 7.153 ( 3.031 -6.978 1.398) 7.735 7.208 ( 0.347 -5.955 4.121) 7.250 7.335 ( 0.251 1.144 1.053) 1.575 7.354 ( -4.906 4.199 1.119) 6.554 7.440 ( 1.211 3.733 -0.737) 3.993 7.549 ( 5.920 -1.708 1.686) 6.388 7.595 ( 0.035 1.254 -2.235) 2.563 7.650 ( -1.186 3.158 -0.303) 3.387 7.804 ( -3.070 -2.241 5.294) 6.517 7.822 ( -0.465 0.555 -0.794) 1.074 8.146 ( 3.315 6.572 3.085) 7.981 8.448 ( 0.059 2.497 -6.212) 6.696 8.482 ( 3.354 -0.950 -4.730) 5.876 8.576 ( -0.471 2.029 -2.832) 3.515 8.623 ( 2.669 -2.377 2.080) 4.136 8.697 ( -3.347 -4.163 -0.836) 5.406 8.722 ( -2.067 -0.805 -1.172) 2.509 8.760 ( 3.699 1.583 0.895) 4.122 8.795 ( -0.691 1.268 -2.486) 2.875 8.975 ( -3.667 -0.357 0.028) 3.685 9.047 ( 0.611 4.140 1.900) 4.596 9.081 ( -1.176 -2.816 6.078) 6.801 9.142 ( -1.749 4.002 3.449) 5.565 9.200 ( -3.639 -3.756 4.553) 6.934 9.268 ( 5.414 -0.532 4.028) 6.768 9.340 ( 0.664 -1.576 3.745) 4.117 9.389 ( -2.830 3.019 -2.531) 4.850 9.477 ( -3.192 0.397 1.947) 3.760 9.584 ( 0.617 2.499 -1.156) 2.822 9.680 ( -9.930 4.787 0.545) 11.037 9.835 ( 0.350 5.705 2.562) 6.264 9.864 ( 6.362 -1.479 0.219) 6.536 9.904 ( 1.215 -0.459 3.286) 3.533 9.943 ( -1.279 -3.660 0.162) 3.880 10.199 ( -2.130 2.631 -4.148) 5.354 10.224 ( 3.852 2.832 -2.172) 5.251 10.329 ( 6.063 -5.694 -0.543) 8.336 10.442 ( -0.660 1.496 -6.999) 7.188 10.550 ( 1.153 -3.077 1.768) 3.731 10.649 ( 6.292 2.687 3.380) 7.631 10.822 ( 1.183 -7.633 -2.643) 8.164 10.871 ( -3.684 0.874 2.170) 4.364 10.987 ( -2.003 1.929 -1.275) 3.059 11.249 ( -1.172 3.923 6.113) 7.357 11.569 ( -0.573 4.570 -0.713) 4.660 11.690 ( 4.092 -4.371 2.008) 6.315 11.828 ( -4.000 -2.645 0.847) 4.870 11.871 ( 0.218 -11.877 -0.865) 11.910 11.883 ( -4.762 -4.698 -4.993) 8.347 11.983 ( -2.302 -4.654 -1.523) 5.411 12.056 ( 0.612 -5.130 -2.198) 5.615 12.116 ( 0.949 -0.704 -2.211) 2.507 12.159 ( 2.021 -4.161 -1.234) 4.788 12.221 ( -2.930 -4.877 0.411) 5.704 12.499 ( 0.129 8.940 5.057) 10.272 12.621 ( -1.584 8.483 2.652) 9.028 12.802 ( -3.549 -0.437 -12.446) 12.949 12.856 ( -3.041 -2.974 -8.902) 9.866 12.975 ( -0.691 -0.876 -6.152) 6.252 13.077 ( 3.203 -0.666 -5.453) 6.359 13.216 ( -3.325 9.056 -5.889) 11.302 13.452 ( 2.566 -1.445 -0.153) 2.949 13.585 ( -5.890 3.991 6.018) 9.318 13.779 ( -5.834 1.584 1.915) 6.342 13.887 ( -4.072 -7.755 0.271) 8.764 14.159 ( 0.196 1.357 -0.432) 1.437 14.215 ( 2.358 -10.933 -4.100) 11.912 14.335 ( -0.270 -3.824 5.735) 6.898 14.534 ( -2.463 8.031 5.055) 9.804 14.629 ( 6.151 6.238 2.668) 9.158 14.762 ( -0.449 1.650 9.824) 9.971 14.951 ( -0.196 -3.468 2.998) 4.589 15.197 ( 2.627 1.965 -0.601) 3.336 15.380 ( 0.235 -2.124 -3.354) 3.977 15.832 ( 0.872 2.453 1.016) 2.794 16.104 ( 5.137 1.217 -3.549) 6.362 16.158 ( 0.906 -6.948 -0.000) 7.007 16.228 ( 4.583 -1.873 -0.071) 4.952 20.065 ( -0.469 0.838 0.327) 1.015 20.111 ( -1.272 1.224 -2.264) 2.871 20.308 ( -1.369 -6.006 4.788) 7.802 20.507 ( 0.414 -12.496 0.223) 12.505 20.910 ( -4.023 9.056 1.907) 10.091 21.036 ( -2.372 2.881 1.335) 3.964 21.049 ( 2.200 3.758 0.087) 4.355 21.170 ( -1.069 6.099 1.902) 6.478 21.247 ( 2.449 1.165 -1.929) 3.328 21.407 ( 4.165 6.051 -2.339) 7.710 21.583 ( -1.650 3.851 5.594) 6.989 21.672 ( 4.004 8.374 4.010) 10.111 22.017 ( -4.379 -5.310 -4.135) 8.029 22.064 ( -7.871 -2.402 -3.279) 8.858 22.216 ( -1.197 -7.236 -2.386) 7.713 22.509 ( 13.349 0.042 0.581) 13.362 22.637 ( -0.105 -2.166 -1.506) 2.640 22.769 ( 1.284 0.194 -0.886) 1.572 22.990 ( 2.701 -1.969 -7.595) 8.298 23.096 ( -3.094 -4.764 -2.368) 6.154 23.270 ( -8.259 4.634 3.333) 10.040 23.459 ( -7.383 -3.596 7.991) 11.459 23.756 ( 4.012 11.621 -0.876) 12.325 24.178 ( 13.537 -2.271 -2.483) 13.949 25.803 ( -0.979 0.090 -0.220) 1.007 25.829 ( -0.966 1.434 -0.749) 1.884 25.877 ( -2.890 -0.768 2.629) 3.982 26.089 ( 1.273 -4.676 -1.803) 5.171 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -26.515 11.207 2.027) 28.858 1.336 ( -25.342 12.028 4.185) 28.362 2.047 ( -4.172 -7.322 -6.811) 10.836 2.166 ( -9.578 0.905 3.009) 10.081 2.202 ( -11.589 -1.861 5.644) 13.024 2.422 ( -19.490 2.256 -0.351) 19.623 2.447 ( -4.287 -2.945 -0.285) 5.209 2.491 ( -6.264 4.683 -1.512) 7.965 2.540 ( 3.031 -2.685 0.707) 4.110 2.575 ( 1.652 0.879 -3.836) 4.269 2.662 ( -0.536 0.597 -0.184) 0.823 2.673 ( 3.266 -0.242 -0.208) 3.282 2.718 ( 4.185 0.886 3.169) 5.324 2.729 ( -1.390 -0.322 -6.692) 6.842 2.811 ( -2.092 -1.890 2.404) 3.705 2.848 ( -0.402 2.067 -0.320) 2.130 2.880 ( -1.224 -1.067 3.382) 3.752 2.933 ( -7.301 -0.586 -2.850) 7.859 2.982 ( 3.796 -0.319 0.295) 3.821 3.041 ( 7.245 0.556 2.872) 7.813 3.100 ( 0.217 0.582 -3.383) 3.440 3.224 ( -0.772 0.297 2.258) 2.405 3.260 ( -0.895 -0.629 2.746) 2.956 3.361 ( -6.590 -2.481 -0.826) 7.089 3.372 ( 1.741 -1.430 -0.621) 2.337 3.459 ( -0.001 0.773 -0.116) 0.782 3.481 ( -2.405 3.163 0.797) 4.053 3.576 ( 0.083 0.322 1.340) 1.381 3.624 ( 1.543 3.328 0.949) 3.789 3.646 ( -2.485 6.722 -3.403) 7.934 3.686 ( 2.350 2.237 -1.521) 3.584 3.840 ( -1.661 0.075 -2.439) 2.952 3.909 ( -0.614 -0.484 1.420) 1.621 3.912 ( -4.720 1.350 -2.485) 5.502 3.984 ( -1.015 2.259 0.465) 2.520 4.054 ( -5.395 1.106 1.052) 5.607 4.103 ( -4.948 -1.107 -1.488) 5.284 4.204 ( -2.418 -0.958 2.241) 3.433 4.305 ( -1.290 -3.040 0.754) 3.387 4.375 ( 5.517 5.557 -4.198) 8.885 4.438 ( 4.056 -4.608 2.858) 6.771 4.490 ( -4.197 0.835 3.827) 5.741 4.609 ( -1.617 -3.498 0.939) 3.966 4.710 ( -4.035 -3.625 -2.055) 5.801 4.765 ( 5.671 -3.782 0.742) 6.857 4.786 ( 0.156 2.432 -2.351) 3.386 4.912 ( -0.386 -2.397 -4.551) 5.158 4.998 ( -2.300 -2.130 1.098) 3.321 5.079 ( -2.797 0.712 -1.673) 3.336 5.151 ( -3.404 2.724 0.664) 4.410 5.253 ( -3.186 -0.845 -4.982) 5.974 5.300 ( -3.852 3.588 1.826) 5.572 5.345 ( 2.090 -1.320 1.470) 2.876 5.418 ( -3.551 -0.665 4.130) 5.487 5.541 ( 3.657 -2.427 -3.120) 5.385 5.582 ( -3.682 0.624 -5.841) 6.933 5.641 ( 13.877 1.668 -3.474) 14.402 5.703 ( 13.166 2.325 4.857) 14.225 5.761 ( 9.577 1.663 -4.378) 10.661 5.840 ( 6.485 -0.034 2.981) 7.137 5.923 ( 2.671 -3.484 -1.085) 4.522 5.969 ( 4.145 -1.753 1.455) 4.730 6.165 ( 3.591 5.819 -1.075) 6.921 6.182 ( 6.270 3.822 -1.457) 7.486 6.248 ( 9.185 7.228 4.716) 12.604 6.303 ( 14.452 -3.208 -0.753) 14.823 6.455 ( 2.269 2.139 1.169) 3.331 6.535 ( 2.290 1.728 0.222) 2.877 6.632 ( -5.045 1.188 0.500) 5.207 6.773 ( -1.061 -0.994 -2.535) 2.923 6.853 ( -0.479 0.877 0.294) 1.041 6.893 ( -2.354 0.639 1.578) 2.905 6.991 ( -0.607 -2.315 2.391) 3.383 7.077 ( -3.157 -2.927 4.173) 5.996 7.176 ( -5.477 -3.010 -4.183) 7.520 7.187 ( 0.384 -5.735 3.520) 6.740 7.302 ( -1.370 2.932 0.405) 3.262 7.353 ( 0.646 0.287 0.818) 1.082 7.508 ( 3.176 0.553 2.328) 3.976 7.561 ( -2.412 -0.298 -1.315) 2.763 7.593 ( 1.375 2.221 -0.173) 2.619 7.713 ( 5.887 1.995 1.212) 6.333 7.772 ( -0.311 -4.828 1.830) 5.172 7.866 ( 3.530 -0.190 1.597) 3.879 8.235 ( 4.050 4.720 1.945) 6.517 8.431 ( 1.936 2.816 -5.175) 6.202 8.506 ( 1.563 3.494 -2.358) 4.496 8.548 ( -3.007 -0.844 1.385) 3.416 8.595 ( -3.568 -1.552 -2.062) 4.404 8.619 ( -2.749 -2.767 0.283) 3.911 8.739 ( -2.043 -3.810 1.103) 4.461 8.789 ( 4.626 -0.989 -0.855) 4.807 8.828 ( 0.738 -1.119 -1.947) 2.363 8.945 ( 1.887 4.798 3.091) 6.011 9.032 ( -3.703 3.022 3.216) 5.761 9.074 ( -4.465 4.231 -1.362) 6.301 9.097 ( -1.119 -5.018 3.155) 6.032 9.176 ( -3.181 -2.606 5.020) 6.489 9.282 ( -3.416 -0.184 -1.228) 3.634 9.309 ( -6.506 1.993 3.799) 7.793 9.396 ( 0.202 0.993 -2.201) 2.423 9.479 ( 2.595 3.986 3.450) 5.876 9.492 ( -6.944 3.883 2.859) 8.454 9.556 ( -2.275 4.824 -1.371) 5.507 9.849 ( -0.442 2.702 1.920) 3.343 9.937 ( 1.427 -4.040 1.152) 4.436 9.995 ( 6.159 4.034 3.827) 8.297 10.060 ( 12.229 -2.069 -0.878) 12.434 10.139 ( -0.098 -1.292 -3.884) 4.095 10.326 ( 2.178 1.051 0.931) 2.591 10.367 ( 2.262 -0.419 -0.643) 2.388 10.473 ( 7.047 -5.567 -1.667) 9.135 10.597 ( 2.270 -1.475 0.563) 2.765 10.751 ( 1.535 1.461 -3.766) 4.321 10.804 ( 0.683 0.498 -2.064) 2.231 10.873 ( 4.122 -3.003 1.629) 5.353 10.957 ( -1.727 3.665 3.067) 5.081 11.307 ( 1.497 -1.705 5.917) 6.337 11.567 ( -0.039 0.673 0.122) 0.685 11.619 ( -12.365 -2.553 -3.149) 13.013 11.679 ( -6.794 -2.589 -3.392) 8.023 11.765 ( -4.267 -6.337 -7.597) 10.774 11.877 ( -3.884 -1.606 6.096) 7.404 11.915 ( -4.694 -4.098 2.359) 6.663 12.001 ( -4.004 -8.883 -4.441) 10.708 12.083 ( 1.963 -0.325 -5.520) 5.868 12.149 ( -3.185 -4.518 -3.107) 6.341 12.213 ( -0.191 -2.945 -0.668) 3.025 12.452 ( -10.351 7.375 0.533) 12.720 12.489 ( -11.451 9.898 -0.512) 15.145 12.676 ( -0.260 -2.791 -8.624) 9.068 12.766 ( 0.516 0.312 -2.933) 2.994 12.938 ( -0.144 -1.617 -5.599) 5.830 13.095 ( -1.756 5.747 -4.933) 7.775 13.126 ( 0.374 -0.599 0.332) 0.780 13.455 ( -6.543 0.457 5.349) 8.463 13.508 ( -0.906 -0.109 -5.006) 5.088 13.644 ( -9.937 1.806 2.353) 10.370 13.737 ( -8.159 -5.685 -2.564) 10.269 14.201 ( -1.846 -7.245 -4.429) 8.689 14.256 ( 4.414 -6.846 2.175) 8.431 14.313 ( -1.306 -8.032 -1.983) 8.375 14.538 ( -1.332 7.907 6.072) 10.058 14.699 ( 1.912 6.327 -1.354) 6.747 14.902 ( 4.277 -0.941 15.833) 16.428 14.985 ( 0.546 -3.268 6.537) 7.328 15.243 ( 3.051 2.318 -1.343) 4.060 15.366 ( 1.175 -0.700 -4.413) 4.620 15.915 ( 6.909 2.364 1.183) 7.398 16.194 ( 4.392 -6.206 -0.985) 7.666 16.227 ( 8.669 1.028 -2.515) 9.085 16.345 ( 7.424 -1.107 0.241) 7.510 20.043 ( -2.168 0.936 -0.346) 2.386 20.060 ( -2.290 1.643 -1.262) 3.088 20.282 ( -4.286 -4.573 3.135) 7.008 20.471 ( -4.883 -16.641 -1.077) 17.376 20.849 ( -2.924 7.256 1.703) 8.006 20.988 ( -3.326 2.536 0.536) 4.217 21.058 ( -1.279 5.200 0.139) 5.357 21.155 ( -1.366 0.192 2.367) 2.739 21.253 ( -1.097 0.231 -2.274) 2.536 21.501 ( 5.510 4.127 -4.093) 8.009 21.603 ( 1.102 6.564 3.879) 7.703 21.699 ( -2.522 1.560 -0.260) 2.977 21.895 ( -3.840 0.136 -3.326) 5.082 22.065 ( 8.306 20.165 -1.543) 21.863 22.197 ( 1.885 -9.888 0.886) 10.105 22.622 ( 1.300 0.555 -2.323) 2.719 22.686 ( 3.652 -1.998 -1.532) 4.436 22.815 ( 2.471 2.663 1.191) 3.823 22.971 ( -1.232 -4.384 -0.586) 4.592 23.055 ( 1.854 -1.131 -2.958) 3.669 23.184 ( -4.763 0.707 4.481) 6.578 23.406 ( 0.111 -8.711 7.488) 11.487 23.911 ( 11.060 15.445 -0.093) 18.996 24.460 ( 17.126 -2.230 -1.520) 17.337 25.767 ( -2.655 0.334 -0.151) 2.680 25.788 ( -2.805 1.177 -0.730) 3.128 25.824 ( -4.333 -0.664 1.994) 4.816 26.080 ( -1.406 -7.248 -2.031) 7.658 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -21.587 19.586 3.108) 29.313 0.957 ( -21.220 20.572 11.668) 31.775 1.639 ( -34.711 35.327 17.320) 52.468 1.926 ( -0.084 -8.363 -14.670) 16.886 2.137 ( -7.521 -13.069 2.199) 15.238 2.254 ( -0.506 0.025 2.787) 2.833 2.314 ( -5.195 -1.085 -10.263) 11.554 2.389 ( -9.107 -5.029 -2.807) 10.776 2.470 ( 0.971 3.879 0.807) 4.080 2.549 ( -5.750 -1.897 -4.954) 7.823 2.656 ( 0.074 -0.958 -0.306) 1.008 2.672 ( -2.560 -1.981 3.180) 4.537 2.703 ( 0.128 -0.666 0.476) 0.829 2.773 ( -0.156 1.243 1.905) 2.280 2.804 ( 2.138 1.140 0.206) 2.432 2.821 ( 0.765 -1.508 -0.702) 1.831 2.843 ( -2.437 2.224 -0.665) 3.366 2.944 ( 2.518 3.474 0.919) 4.388 3.064 ( 0.760 0.800 -2.707) 2.923 3.101 ( -3.828 -4.672 -0.229) 6.044 3.145 ( 3.964 1.300 1.426) 4.409 3.228 ( -1.168 3.487 -2.248) 4.311 3.264 ( 3.584 -1.476 1.042) 4.014 3.301 ( 3.484 2.979 0.961) 4.684 3.383 ( -1.880 2.176 -1.406) 3.201 3.435 ( -2.250 -1.226 2.725) 3.741 3.483 ( -0.031 -1.234 -0.810) 1.476 3.527 ( 1.342 1.255 -1.116) 2.150 3.546 ( -4.996 1.582 -3.380) 6.236 3.660 ( -4.094 4.714 -0.307) 6.251 3.751 ( 4.134 -5.785 0.784) 7.153 3.786 ( 5.007 1.069 -3.160) 6.017 3.831 ( -3.910 4.277 5.310) 7.860 3.904 ( -3.711 -1.290 2.853) 4.856 3.936 ( -2.094 3.843 -1.545) 4.641 4.003 ( -1.199 0.211 -3.753) 3.945 4.093 ( -2.449 -5.317 -0.875) 5.919 4.145 ( 0.736 -1.915 -0.523) 2.118 4.257 ( -4.385 -4.545 -2.134) 6.666 4.408 ( -0.421 -7.576 -1.865) 7.813 4.483 ( -8.223 0.595 7.114) 10.890 4.529 ( 4.157 0.966 0.976) 4.378 4.566 ( -0.806 -5.763 2.737) 6.430 4.648 ( 1.727 -3.634 -3.361) 5.243 4.689 ( -9.842 -1.662 -1.472) 10.090 4.805 ( -5.906 0.504 -1.942) 6.237 4.862 ( 2.265 4.735 0.889) 5.323 4.878 ( -5.036 -3.340 -3.581) 7.024 5.028 ( -0.038 2.204 -6.108) 6.494 5.096 ( -2.990 -0.362 -1.103) 3.208 5.211 ( 1.312 -2.763 -1.451) 3.385 5.289 ( -0.690 -3.026 0.446) 3.136 5.371 ( 6.224 0.141 2.233) 6.614 5.464 ( -2.263 -1.137 -2.655) 3.670 5.503 ( 5.695 0.101 -0.354) 5.707 5.674 ( 4.567 -2.317 3.757) 6.352 5.830 ( 3.706 -1.063 -2.456) 4.572 5.884 ( 7.651 2.056 1.259) 8.022 5.906 ( 7.655 1.120 -3.083) 8.328 5.974 ( 4.150 0.273 0.857) 4.247 5.976 ( 7.294 0.192 4.596) 8.623 6.080 ( 6.630 -0.779 2.215) 7.034 6.204 ( 2.609 6.784 -2.400) 7.654 6.292 ( 4.430 4.920 0.725) 6.660 6.369 ( -1.042 2.195 1.563) 2.889 6.427 ( 2.772 -1.225 -2.690) 4.052 6.523 ( -1.028 2.839 0.224) 3.028 6.582 ( -0.291 4.739 0.704) 4.800 6.618 ( 6.705 -3.052 -0.587) 7.391 6.748 ( -2.690 -0.795 1.934) 3.407 6.806 ( -5.277 2.097 3.249) 6.542 6.935 ( 9.853 1.072 -5.167) 11.177 7.007 ( 0.030 -2.805 0.539) 2.856 7.052 ( -0.701 3.354 -0.729) 3.503 7.061 ( -2.486 -2.211 0.370) 3.348 7.196 ( -3.539 -3.037 3.611) 5.898 7.309 ( 0.223 1.410 -1.140) 1.826 7.339 ( 0.966 0.089 1.069) 1.443 7.432 ( -5.094 -0.510 -5.819) 7.750 7.573 ( 1.470 -2.406 1.815) 3.353 7.690 ( 4.598 5.407 4.558) 8.435 7.829 ( 5.808 2.327 0.109) 6.258 7.849 ( 8.776 -0.392 -1.208) 8.868 7.986 ( 8.668 -0.693 8.091) 11.878 8.294 ( 1.208 5.322 0.124) 5.459 8.436 ( 0.127 -0.832 -1.903) 2.081 8.450 ( -7.452 2.683 4.227) 8.978 8.509 ( -1.862 -2.621 1.498) 3.547 8.534 ( -2.105 0.401 -1.584) 2.664 8.634 ( 4.984 0.745 -2.392) 5.578 8.696 ( -2.629 -2.119 5.903) 6.800 8.802 ( -1.782 -1.415 -6.690) 7.067 8.860 ( 1.861 -1.409 0.528) 2.394 8.931 ( -2.087 1.143 -0.112) 2.382 8.997 ( -3.309 2.338 -2.855) 4.957 9.037 ( -1.165 1.611 3.842) 4.326 9.065 ( -6.140 0.194 2.037) 6.472 9.129 ( -0.443 -0.655 0.224) 0.822 9.205 ( -3.425 1.943 0.309) 3.950 9.245 ( -0.395 0.253 0.284) 0.548 9.360 ( -0.471 3.969 -3.800) 5.515 9.404 ( -2.638 1.505 -3.352) 4.523 9.556 ( 1.812 -1.008 0.922) 2.269 9.580 ( 0.540 10.526 8.393) 13.474 9.826 ( -2.167 3.677 -3.421) 5.470 9.948 ( -2.485 0.196 3.175) 4.037 10.129 ( -3.391 -10.578 9.051) 14.329 10.162 ( 9.869 0.416 1.825) 10.044 10.286 ( 9.955 -1.547 -2.495) 10.379 10.325 ( 0.362 1.777 -0.295) 1.837 10.462 ( 7.825 -4.609 1.230) 9.165 10.547 ( 0.161 -1.391 -1.704) 2.206 10.647 ( 4.315 0.729 -3.545) 5.632 10.734 ( 1.931 -2.365 1.530) 3.415 10.830 ( -0.127 1.061 2.995) 3.180 10.939 ( -0.989 -0.001 -1.246) 1.591 10.995 ( 7.856 -1.408 -2.565) 8.383 11.225 ( -14.526 -9.708 -4.211) 17.971 11.420 ( -2.703 0.055 -0.403) 2.733 11.518 ( -3.809 -1.790 -3.145) 5.254 11.599 ( 0.902 -0.309 -2.653) 2.819 11.659 ( -2.884 4.358 -1.665) 5.485 11.809 ( -7.003 -2.033 0.114) 7.293 11.826 ( -9.624 -1.440 -2.485) 10.043 11.871 ( -5.836 -1.495 1.125) 6.128 12.060 ( -0.600 -4.443 -5.370) 6.995 12.075 ( -1.591 2.716 -7.472) 8.108 12.132 ( -5.063 1.307 -5.098) 7.303 12.199 ( -9.947 1.738 -4.577) 11.086 12.348 ( -3.601 3.214 -0.492) 4.851 12.682 ( 1.378 -3.419 -1.102) 3.847 12.794 ( -0.601 -3.745 2.198) 4.383 12.859 ( -4.284 -4.519 -1.172) 6.336 13.015 ( -5.260 -3.503 2.886) 6.948 13.147 ( 0.867 0.552 -1.273) 1.636 13.373 ( -3.119 -2.730 1.644) 4.459 13.446 ( -6.220 -2.651 -5.423) 8.667 13.473 ( -0.257 2.179 -6.806) 7.151 13.647 ( -3.987 4.118 5.406) 7.879 13.902 ( -19.008 -5.211 -12.693) 23.443 14.306 ( 0.153 -1.779 -0.305) 1.811 14.383 ( 4.030 -4.922 3.684) 7.351 14.553 ( -0.892 5.360 4.616) 7.130 14.700 ( -0.602 4.862 -0.818) 4.967 15.015 ( 0.862 -0.339 4.275) 4.375 15.087 ( 0.560 -9.126 17.031) 19.330 15.291 ( 2.772 0.266 -0.905) 2.929 15.374 ( 2.265 -0.319 -2.383) 3.303 16.060 ( 6.525 2.389 2.765) 7.478 16.283 ( 5.415 -4.084 0.300) 6.789 16.363 ( 6.939 1.816 -2.290) 7.529 16.471 ( 5.987 -0.050 -1.056) 6.079 19.994 ( -1.756 1.030 -1.005) 2.270 20.026 ( -1.069 1.607 -0.396) 1.970 20.210 ( -4.343 -2.420 0.603) 5.008 20.296 ( -12.103 -13.227 -3.615) 18.289 20.836 ( -0.284 5.207 1.982) 5.578 20.943 ( -1.201 3.067 -0.491) 3.330 21.024 ( -2.414 7.207 1.053) 7.673 21.127 ( -3.797 -1.811 2.845) 5.078 21.217 ( -0.313 -1.974 -2.343) 3.079 21.497 ( -1.310 -0.814 -2.285) 2.757 21.628 ( 1.375 7.600 -6.561) 10.134 21.672 ( 0.845 9.855 -7.344) 12.320 21.853 ( -0.015 -0.047 -0.342) 0.346 22.027 ( -0.511 12.487 -15.723) 20.085 22.488 ( 12.327 -5.059 4.083) 13.936 22.658 ( 2.967 0.808 2.069) 3.706 22.695 ( 3.012 -0.190 0.321) 3.035 22.858 ( 2.010 -1.169 -3.235) 3.984 23.013 ( -0.391 -2.148 6.236) 6.607 23.061 ( 0.236 -1.215 -2.495) 2.785 23.193 ( 8.499 5.759 16.008) 19.017 23.581 ( 10.221 -11.635 10.290) 18.593 24.129 ( 11.258 15.924 8.381) 21.226 24.743 ( 15.060 -0.613 -1.667) 15.164 25.719 ( -2.154 0.457 -0.070) 2.203 25.728 ( -2.963 0.698 -0.331) 3.062 25.759 ( -3.431 -0.599 0.906) 3.599 25.973 ( -10.031 -10.644 -4.105) 15.191 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.664 26.738 -2.693) 26.881 1.264 ( -1.072 25.566 7.635) 26.704 1.587 ( 0.969 -24.090 -10.000) 26.101 1.679 ( -1.520 -18.105 -1.268) 18.213 2.187 ( -0.318 1.885 -5.075) 5.423 2.218 ( 0.429 -0.738 -5.079) 5.150 2.285 ( 2.639 1.832 -4.446) 5.485 2.344 ( -4.948 27.205 9.871) 29.361 2.370 ( 6.460 8.178 2.872) 10.810 2.602 ( 1.110 0.828 0.872) 1.636 2.610 ( -1.457 5.157 4.239) 6.833 2.673 ( -2.742 1.137 1.634) 3.389 2.715 ( 0.938 3.045 0.109) 3.188 2.748 ( -0.700 -2.864 -1.205) 3.185 2.800 ( -1.123 -2.199 1.803) 3.057 2.866 ( 1.979 0.935 6.739) 7.085 2.876 ( 0.588 -2.153 3.486) 4.139 3.029 ( 1.185 0.124 -1.119) 1.635 3.074 ( -1.542 5.614 -1.230) 5.950 3.105 ( 2.015 -3.423 -2.453) 4.669 3.177 ( 0.292 -3.006 -1.002) 3.182 3.226 ( -3.997 1.378 -3.195) 5.300 3.285 ( 1.141 1.734 -1.637) 2.643 3.313 ( -2.358 -5.738 0.625) 6.235 3.356 ( -1.537 -5.055 3.025) 6.088 3.365 ( 0.243 -9.233 1.476) 9.354 3.423 ( 0.698 -2.612 1.153) 2.939 3.456 ( 0.426 -5.274 -0.270) 5.298 3.505 ( 0.918 -1.107 -4.856) 5.064 3.550 ( 4.015 -3.570 -4.661) 7.113 3.730 ( -1.241 1.310 3.024) 3.521 3.767 ( -4.165 -2.643 2.777) 5.661 3.879 ( 1.954 1.876 0.731) 2.806 3.897 ( 2.073 0.774 2.900) 3.647 3.951 ( 0.357 12.486 -0.179) 12.492 4.030 ( 0.097 2.586 -0.274) 2.602 4.115 ( 1.584 -0.174 1.339) 2.081 4.126 ( -0.005 3.150 -1.090) 3.333 4.182 ( -1.448 -3.214 0.264) 3.536 4.238 ( 0.131 -8.692 0.585) 8.713 4.390 ( -0.833 7.360 -0.884) 7.460 4.475 ( -3.154 0.367 4.739) 5.705 4.544 ( -0.461 -2.641 1.787) 3.222 4.608 ( -1.901 -5.036 0.197) 5.387 4.689 ( 2.284 -0.836 -1.008) 2.632 4.703 ( -0.567 -3.205 -2.843) 4.322 4.893 ( 5.517 5.008 1.888) 7.687 4.930 ( 0.756 0.889 -3.640) 3.823 4.984 ( -2.193 4.393 -7.105) 8.636 5.062 ( 2.412 -2.645 -4.982) 6.135 5.138 ( -1.590 -1.289 -7.532) 7.805 5.193 ( -2.502 -4.525 -2.710) 5.838 5.403 ( 1.984 -2.778 2.709) 4.359 5.432 ( 1.959 -6.386 -1.619) 6.873 5.557 ( -1.079 7.954 0.034) 8.027 5.685 ( -2.770 -3.940 -1.051) 4.930 5.856 ( -0.071 0.587 5.302) 5.335 5.900 ( -1.686 -4.987 3.729) 6.451 6.040 ( 0.206 1.702 1.687) 2.405 6.053 ( 1.413 0.629 1.779) 2.357 6.147 ( 1.497 4.708 1.595) 5.191 6.189 ( 1.782 0.874 -0.107) 1.987 6.282 ( 0.131 2.725 -4.927) 5.632 6.344 ( 2.046 -3.040 -5.962) 6.998 6.422 ( -2.658 4.299 0.876) 5.129 6.470 ( 2.384 5.094 -1.027) 5.717 6.495 ( -2.978 -1.754 2.555) 4.298 6.557 ( 2.574 -3.770 0.282) 4.573 6.711 ( -1.236 6.343 2.842) 7.060 6.768 ( -1.508 6.132 1.973) 6.615 6.807 ( -4.502 -1.268 0.955) 4.774 6.875 ( -0.155 -3.692 1.967) 4.186 6.932 ( 0.339 -6.237 1.483) 6.420 6.942 ( -0.652 -5.974 1.855) 6.289 7.083 ( -2.035 2.374 0.940) 3.265 7.135 ( -1.452 -3.370 2.356) 4.361 7.305 ( 1.882 1.636 -0.938) 2.664 7.327 ( 0.632 -0.914 -3.044) 3.240 7.430 ( 3.046 4.465 -10.877) 12.146 7.530 ( 0.816 -5.650 -5.847) 8.172 7.900 ( 1.992 7.169 3.763) 8.338 7.957 ( 0.843 1.983 2.945) 3.649 8.040 ( 1.183 3.001 3.182) 4.531 8.137 ( -4.755 -7.382 10.242) 13.491 8.288 ( -1.767 1.218 1.498) 2.617 8.329 ( 1.259 -3.434 2.724) 4.561 8.475 ( 0.879 3.922 1.977) 4.479 8.510 ( 3.483 0.266 -0.460) 3.523 8.582 ( -1.689 5.116 -0.065) 5.388 8.654 ( 0.858 -3.317 0.020) 3.426 8.725 ( 2.129 0.889 -0.156) 2.313 8.769 ( -0.951 -3.747 0.510) 3.899 8.831 ( 0.606 0.711 4.840) 4.929 8.867 ( -3.337 -2.128 5.440) 6.728 8.930 ( -1.744 1.216 1.021) 2.359 8.965 ( -7.418 -0.676 -1.926) 7.693 9.073 ( -3.142 2.400 -1.679) 4.295 9.118 ( -3.567 -2.602 -0.617) 4.458 9.183 ( 3.627 4.030 -2.787) 6.096 9.256 ( 2.624 -2.622 0.567) 3.753 9.347 ( -0.300 8.165 -5.265) 9.721 9.496 ( 2.858 -5.789 -0.354) 6.466 9.527 ( -0.741 2.664 -1.482) 3.137 9.578 ( -1.965 -2.395 -2.011) 3.693 9.889 ( -2.667 11.873 0.102) 12.169 9.999 ( -0.384 4.949 2.009) 5.355 10.047 ( -6.204 0.661 6.289) 8.859 10.240 ( -0.584 -7.336 -7.034) 10.180 10.344 ( 3.261 0.588 0.204) 3.320 10.384 ( 2.051 -1.643 -0.376) 2.655 10.460 ( -1.737 0.189 0.452) 1.804 10.544 ( 2.148 -7.269 -7.612) 10.742 10.661 ( -2.187 1.397 0.479) 2.639 10.714 ( 7.724 -3.535 -3.970) 9.377 10.834 ( -4.061 1.991 2.977) 5.415 10.863 ( -2.549 -3.790 2.213) 5.076 10.907 ( 5.883 0.528 -3.630) 6.933 11.009 ( 1.546 -8.333 0.901) 8.523 11.472 ( -1.047 6.753 -1.046) 6.914 11.550 ( -0.313 1.217 -6.377) 6.499 11.616 ( -0.351 1.320 1.789) 2.251 11.624 ( -1.897 -0.857 -1.650) 2.656 11.669 ( 3.362 -0.233 -2.073) 3.957 11.694 ( 6.008 -1.832 -3.753) 7.317 11.827 ( 0.553 3.017 1.702) 3.508 11.907 ( -1.426 -6.025 -1.303) 6.327 11.994 ( -4.868 1.618 -5.432) 7.472 12.025 ( -1.472 -2.204 -3.092) 4.072 12.285 ( 2.571 7.137 -1.359) 7.707 12.359 ( 1.353 -0.206 -0.321) 1.405 12.601 ( -0.387 3.437 -4.393) 5.591 12.725 ( 2.745 -6.600 -0.926) 7.208 12.835 ( 5.590 -1.478 5.914) 8.272 12.883 ( 1.892 -5.309 8.570) 10.257 13.232 ( 1.333 3.845 -1.885) 4.485 13.275 ( -3.234 -0.423 -1.202) 3.476 13.436 ( 2.316 2.911 -6.162) 7.198 13.494 ( 4.031 -3.023 -2.295) 5.537 13.649 ( -3.929 1.585 -1.643) 4.544 13.665 ( -2.612 0.163 2.297) 3.482 14.314 ( -0.211 2.607 3.198) 4.132 14.381 ( 0.161 -4.215 5.758) 7.137 14.641 ( -3.175 5.270 5.074) 7.975 14.706 ( -1.912 -0.964 0.453) 2.188 15.041 ( -1.475 0.820 3.165) 3.587 15.064 ( -1.629 -2.337 7.695) 8.205 15.316 ( 0.441 2.409 -3.385) 4.178 15.369 ( 1.119 -2.767 -2.207) 3.712 16.206 ( 0.302 3.860 3.471) 5.200 16.282 ( 0.541 -4.378 2.594) 5.118 16.461 ( 0.338 2.406 -2.268) 3.323 16.501 ( -0.073 -1.710 -2.460) 2.996 20.007 ( 1.067 1.688 -0.207) 2.008 20.037 ( 2.004 -1.219 -0.997) 2.548 20.092 ( -2.415 0.870 -0.363) 2.593 20.120 ( -1.278 -1.963 -0.852) 2.492 20.925 ( -1.013 5.011 1.721) 5.394 21.002 ( -0.441 -0.564 0.125) 0.727 21.037 ( -0.693 1.333 1.225) 1.939 21.108 ( 0.383 -2.457 -0.008) 2.487 21.264 ( 2.361 9.804 3.228) 10.588 21.426 ( 2.092 -6.430 4.076) 7.896 21.695 ( -1.512 3.695 -2.916) 4.944 21.724 ( -2.162 1.295 -3.483) 4.299 21.901 ( 0.044 5.032 0.737) 5.085 22.020 ( -0.819 -4.083 -3.220) 5.264 22.488 ( -1.031 4.640 -10.425) 11.457 22.636 ( -2.363 -7.786 -7.354) 10.967 22.743 ( 2.176 0.154 -0.586) 2.259 22.768 ( 4.646 -1.952 0.233) 5.045 22.966 ( -1.433 0.507 -5.361) 5.572 22.990 ( -1.070 -1.952 -5.940) 6.344 23.533 ( 0.605 2.597 10.603) 10.933 23.608 ( 0.965 -6.752 10.957) 12.907 24.560 ( 0.780 12.423 6.008) 13.822 24.791 ( 0.563 -11.760 -1.020) 11.818 25.706 ( 0.154 0.515 0.011) 0.538 25.707 ( -0.395 0.539 -0.015) 0.668 25.717 ( 0.132 -0.559 0.128) 0.589 25.719 ( -0.590 -0.659 0.113) 0.891 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 13.383 18.384 1.766) 22.808 1.456 ( 14.277 19.334 8.786) 25.590 1.556 ( 5.641 -13.433 -8.182) 16.709 1.812 ( 13.476 -17.066 0.082) 21.745 2.180 ( 4.104 2.377 -6.294) 7.881 2.217 ( 2.782 0.656 -4.883) 5.658 2.327 ( 3.746 -0.224 -0.662) 3.810 2.347 ( 4.359 -0.655 -6.904) 8.191 2.520 ( -3.984 5.123 -2.723) 7.038 2.607 ( -1.732 -3.381 1.624) 4.131 2.626 ( 1.554 6.185 0.474) 6.395 2.686 ( 5.395 4.149 4.954) 8.418 2.738 ( -0.348 5.828 -2.742) 6.450 2.772 ( -1.023 3.233 0.158) 3.395 2.791 ( 3.062 3.425 8.100) 9.312 2.879 ( 0.760 1.239 0.601) 1.573 2.944 ( -8.413 5.271 -3.951) 10.685 2.980 ( 3.846 0.236 5.292) 6.546 3.037 ( 0.121 -0.751 0.854) 1.143 3.041 ( -7.565 -3.352 -0.742) 8.307 3.174 ( 0.662 0.026 1.207) 1.377 3.189 ( 0.939 -1.567 1.883) 2.624 3.270 ( -0.353 3.331 4.414) 5.542 3.325 ( 4.586 2.393 -0.632) 5.211 3.377 ( -1.624 -0.482 -1.410) 2.204 3.399 ( 3.822 -4.148 -3.211) 6.490 3.440 ( 0.931 -0.277 -0.471) 1.079 3.539 ( 6.995 -11.363 2.912) 13.658 3.553 ( 7.969 -0.811 0.553) 8.030 3.607 ( 4.229 -4.065 -1.673) 6.100 3.731 ( -2.729 -0.584 2.211) 3.560 3.746 ( 1.325 -6.127 3.584) 7.221 3.917 ( -0.910 2.086 -1.952) 2.998 3.942 ( 1.452 -0.744 1.635) 2.310 3.985 ( 4.385 13.516 0.552) 14.220 4.021 ( 1.072 7.731 -3.166) 8.422 4.104 ( -2.076 -0.198 0.533) 2.152 4.150 ( 2.869 -1.342 1.615) 3.555 4.224 ( 4.284 -1.188 4.910) 6.624 4.319 ( 6.331 -8.944 1.022) 11.005 4.421 ( 3.168 3.421 -0.580) 4.699 4.483 ( 2.478 -0.181 -1.944) 3.155 4.559 ( 1.426 -1.125 -0.992) 2.070 4.600 ( -0.785 -2.403 2.004) 3.225 4.698 ( 2.592 -0.150 -1.110) 2.823 4.732 ( 3.468 -3.977 -4.079) 6.670 4.887 ( -3.393 6.056 -4.256) 8.143 4.965 ( 4.679 1.471 -5.331) 7.244 5.000 ( 0.916 2.046 0.132) 2.245 5.057 ( -1.203 -3.021 -5.351) 6.262 5.071 ( 3.197 -5.335 -2.519) 6.711 5.123 ( -0.089 -2.909 -4.207) 5.115 5.396 ( -3.465 -4.203 -6.481) 8.466 5.402 ( -2.439 -3.928 -3.167) 5.604 5.518 ( -3.297 6.464 3.574) 8.088 5.615 ( -3.641 -2.978 0.727) 4.760 5.851 ( -2.773 -0.662 4.275) 5.138 5.863 ( -3.311 -1.593 4.300) 5.655 5.989 ( -6.577 2.111 1.526) 7.074 6.013 ( -5.928 0.348 3.012) 6.658 6.067 ( -9.243 2.662 0.847) 9.655 6.120 ( -9.213 -2.984 1.450) 9.792 6.247 ( -1.362 3.532 -6.546) 7.561 6.287 ( -5.238 -0.709 -4.577) 6.992 6.415 ( 2.286 7.679 2.943) 8.535 6.486 ( -3.831 3.133 1.455) 5.158 6.527 ( 3.664 -1.881 0.230) 4.125 6.572 ( -7.864 -3.522 0.538) 8.633 6.724 ( -1.899 5.356 -1.135) 5.795 6.750 ( 4.331 2.194 2.498) 5.460 6.779 ( 4.320 2.540 1.385) 5.199 6.880 ( -0.120 -7.359 1.444) 7.501 6.954 ( 0.994 -3.459 3.068) 4.729 6.984 ( 0.362 -5.516 1.489) 5.725 7.047 ( -0.864 5.677 -0.334) 5.752 7.106 ( -1.659 0.049 1.431) 2.192 7.267 ( -0.783 3.332 -9.045) 9.671 7.381 ( 0.585 -6.894 -5.046) 8.564 7.447 ( 2.653 1.975 -0.804) 3.404 7.494 ( 2.042 -2.525 -1.003) 3.399 7.830 ( -12.077 5.424 6.164) 14.604 7.934 ( -9.010 -2.602 6.935) 11.664 7.961 ( -7.891 4.905 8.183) 12.380 8.047 ( -2.877 0.139 4.397) 5.256 8.315 ( 1.354 1.345 -2.689) 3.297 8.352 ( -2.727 -2.516 -1.733) 4.095 8.470 ( -2.299 4.852 2.255) 5.824 8.543 ( 2.194 1.948 0.647) 3.005 8.593 ( 1.903 -2.178 -1.227) 3.141 8.624 ( -0.740 -2.894 0.466) 3.024 8.735 ( -2.875 1.544 -3.435) 4.738 8.776 ( 0.612 -0.766 -1.726) 1.985 8.866 ( 2.765 -1.792 1.738) 3.725 8.874 ( 2.186 -0.245 2.351) 3.220 8.930 ( 1.885 0.106 2.371) 3.031 8.938 ( 1.665 -0.645 1.878) 2.591 9.056 ( 0.909 0.392 3.284) 3.430 9.079 ( -0.762 -2.225 -0.124) 2.355 9.233 ( 3.886 5.943 -3.256) 7.811 9.322 ( 2.814 -3.639 -2.263) 5.127 9.387 ( 5.413 11.772 3.254) 13.359 9.500 ( -2.349 4.091 -5.038) 6.902 9.506 ( 2.134 0.294 -1.852) 2.841 9.631 ( 4.026 -6.993 2.948) 8.591 9.858 ( -1.615 3.196 3.399) 4.937 9.935 ( -8.264 -5.678 6.624) 12.017 9.944 ( -2.641 8.200 -5.345) 10.138 10.132 ( -3.090 -6.891 -8.337) 11.249 10.347 ( -2.796 0.099 1.053) 2.989 10.365 ( -4.566 -0.988 3.587) 5.890 10.423 ( -2.635 -0.629 0.118) 2.712 10.472 ( -5.720 -4.895 -2.146) 7.829 10.648 ( 2.589 2.357 -4.034) 5.341 10.726 ( -3.018 -4.555 -0.255) 5.470 10.857 ( 4.252 7.642 -0.907) 8.792 10.906 ( 1.791 1.611 1.041) 2.624 11.031 ( 1.292 -4.901 2.029) 5.459 11.067 ( 6.635 -8.334 -0.075) 10.653 11.435 ( 1.608 4.503 -0.691) 4.831 11.507 ( 0.387 -1.052 -2.510) 2.749 11.632 ( 6.574 2.720 -7.973) 10.686 11.708 ( 5.506 -5.365 -2.451) 8.069 11.728 ( 1.998 5.324 -0.419) 5.702 11.805 ( 4.151 -2.085 1.124) 4.780 11.834 ( 3.125 0.719 -1.652) 3.607 11.907 ( 2.662 -6.816 0.877) 7.370 12.027 ( 11.028 1.759 -2.817) 11.517 12.067 ( 5.955 -2.682 -1.805) 6.776 12.307 ( 2.026 6.283 -2.596) 7.094 12.400 ( 4.494 2.435 -1.327) 5.281 12.583 ( 1.557 0.376 -5.219) 5.460 12.767 ( 2.988 -12.844 -4.205) 13.841 12.987 ( 5.035 1.911 3.212) 6.271 13.017 ( 2.398 -1.545 4.357) 5.207 13.256 ( 4.159 2.956 -3.456) 6.163 13.285 ( 7.231 0.409 -4.568) 8.562 13.487 ( 9.044 0.383 -0.923) 9.099 13.501 ( 0.557 -0.875 -0.774) 1.294 13.672 ( 5.542 3.058 1.692) 6.552 13.745 ( 7.836 -4.110 1.329) 8.948 14.306 ( -3.574 4.110 5.243) 7.560 14.381 ( -3.857 -3.356 4.788) 7.004 14.609 ( -3.936 5.196 5.040) 8.239 14.671 ( -2.293 -0.791 0.696) 2.523 15.005 ( -4.337 1.906 2.693) 5.450 15.053 ( -4.491 -3.490 5.555) 7.950 15.288 ( -0.980 3.264 -3.436) 4.839 15.362 ( -0.200 -4.277 -2.296) 4.859 16.173 ( -6.240 4.007 4.090) 8.469 16.253 ( -5.469 -4.593 3.324) 7.877 16.388 ( -6.024 2.044 -2.936) 7.006 16.419 ( -6.315 -1.282 -2.855) 7.048 20.035 ( 1.351 2.021 -0.866) 2.581 20.067 ( 2.273 -0.080 -2.792) 3.601 20.101 ( 2.406 -0.430 1.560) 2.899 20.139 ( 4.648 -3.261 -0.301) 5.686 20.933 ( 0.771 4.811 1.263) 5.034 21.001 ( 0.234 -0.631 0.171) 0.695 21.055 ( 1.897 2.414 1.388) 3.370 21.129 ( 1.964 -2.953 0.910) 3.661 21.375 ( 6.213 11.595 5.124) 14.117 21.523 ( 4.010 -1.882 1.352) 4.631 21.586 ( -3.960 6.290 -5.400) 9.187 21.654 ( -3.868 -0.503 -2.639) 4.709 21.903 ( -0.662 2.564 1.245) 2.926 21.977 ( -1.527 -1.546 -1.829) 2.840 22.406 ( -3.311 -1.422 -3.624) 5.110 22.524 ( -4.484 -9.532 -7.191) 12.754 22.773 ( 0.180 2.898 -1.434) 3.238 22.836 ( 1.909 -3.537 -3.415) 5.274 22.946 ( 3.783 -0.163 -3.196) 4.955 22.951 ( 2.587 -0.786 -4.853) 5.555 23.493 ( -10.279 3.720 10.986) 15.498 23.576 ( -9.708 -6.049 9.925) 15.144 24.492 ( -11.801 9.206 5.206) 15.847 24.648 ( -13.386 -6.909 -1.463) 15.134 25.726 ( 2.134 0.624 0.121) 2.227 25.741 ( 2.439 -0.815 0.480) 2.616 25.757 ( 4.739 1.559 -0.221) 4.994 25.803 ( 7.534 -3.357 -1.449) 8.374 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 19.774 9.810 4.293) 22.488 1.703 ( 14.284 -3.386 -3.283) 15.042 1.817 ( 16.029 13.832 11.546) 24.116 2.084 ( 12.475 -12.491 3.705) 18.038 2.211 ( -1.142 1.517 -1.848) 2.650 2.258 ( 6.847 -0.528 -5.434) 8.757 2.317 ( -0.095 -4.046 -7.883) 8.861 2.394 ( 4.562 -7.688 -3.690) 9.672 2.451 ( -3.753 3.261 -3.681) 6.186 2.527 ( -5.496 -4.075 -4.168) 8.011 2.613 ( -6.814 3.310 -3.401) 8.304 2.634 ( -1.855 0.495 -1.405) 2.379 2.692 ( -3.725 -0.418 -0.906) 3.856 2.727 ( -2.160 -3.470 2.544) 4.814 2.773 ( -3.763 4.545 -3.816) 7.027 2.828 ( -6.015 -1.359 -2.444) 6.633 2.927 ( 3.046 4.577 -0.226) 5.502 2.982 ( 1.632 -1.002 0.661) 2.026 3.041 ( 3.966 5.682 3.798) 7.902 3.116 ( -0.193 -2.556 4.723) 5.374 3.204 ( 1.466 1.576 0.429) 2.195 3.250 ( 1.786 -2.576 0.741) 3.221 3.346 ( 3.011 1.266 1.491) 3.591 3.356 ( 2.493 2.318 -0.210) 3.410 3.409 ( -0.289 -1.861 -1.299) 2.288 3.434 ( 4.069 -5.266 3.870) 7.698 3.566 ( 11.475 11.417 9.051) 18.546 3.621 ( 1.769 1.623 -1.572) 2.870 3.642 ( 0.127 1.448 0.925) 1.724 3.709 ( 1.933 -0.778 0.675) 2.190 3.749 ( 8.117 2.309 -1.211) 8.526 3.796 ( -0.273 0.089 0.341) 0.446 3.916 ( 2.141 0.744 2.152) 3.126 3.955 ( 2.374 -1.162 4.350) 5.090 4.048 ( 3.196 6.769 -3.992) 8.483 4.079 ( 3.916 6.016 -1.559) 7.345 4.147 ( 6.981 -1.981 2.902) 7.815 4.222 ( 2.968 -2.292 2.365) 4.433 4.337 ( 3.918 1.453 6.795) 7.977 4.432 ( -1.104 -1.314 -0.364) 1.754 4.467 ( 8.469 -3.940 1.190) 9.416 4.516 ( 2.708 -1.216 -5.248) 6.029 4.585 ( -0.834 0.136 -0.083) 0.849 4.591 ( 0.231 0.913 0.714) 1.182 4.733 ( 1.173 -2.378 -3.396) 4.309 4.760 ( 3.307 -3.199 -3.081) 5.538 4.819 ( -0.333 -0.177 -1.126) 1.187 4.877 ( -6.531 -4.035 -2.253) 8.001 4.990 ( 0.130 4.913 -7.008) 8.560 5.077 ( -2.190 -2.635 -4.950) 6.021 5.123 ( 6.927 1.455 -2.970) 7.676 5.167 ( 4.586 -4.305 -1.455) 6.456 5.268 ( 1.898 0.268 -8.022) 8.248 5.362 ( 2.266 -8.043 -6.481) 10.575 5.529 ( 1.812 4.479 3.023) 5.699 5.572 ( -2.231 -0.104 -0.163) 2.239 5.785 ( -11.493 5.733 2.201) 13.031 5.799 ( -10.424 2.809 5.948) 12.326 5.860 ( -4.469 -0.805 7.145) 8.466 5.906 ( -6.153 4.331 1.099) 7.605 5.920 ( -5.486 -3.726 0.499) 6.650 5.992 ( -5.345 -5.371 3.440) 8.322 6.127 ( -7.422 1.704 -5.731) 9.531 6.159 ( -5.299 -1.582 -4.791) 7.316 6.338 ( -8.975 5.548 0.081) 10.552 6.403 ( -6.747 0.307 0.160) 6.756 6.464 ( -3.071 6.661 4.478) 8.593 6.587 ( -0.984 -2.934 1.193) 3.316 6.641 ( -3.675 6.343 0.629) 7.358 6.807 ( -4.443 -8.209 1.009) 9.388 6.847 ( 2.559 2.904 0.723) 3.937 6.914 ( 1.825 -4.048 0.581) 4.478 6.962 ( -0.590 0.175 1.996) 2.088 6.997 ( 1.141 -2.013 2.423) 3.351 7.036 ( 1.745 1.524 -1.497) 2.758 7.092 ( -1.861 -2.707 -1.247) 3.514 7.259 ( 3.054 0.529 -3.416) 4.613 7.316 ( 2.646 -4.828 -6.830) 8.773 7.507 ( 1.326 2.970 2.525) 4.118 7.557 ( 2.877 -1.410 1.427) 3.507 7.683 ( -8.056 5.557 6.485) 11.740 7.798 ( -7.548 -6.121 6.305) 11.583 7.897 ( -6.518 7.879 4.907) 11.342 7.989 ( -5.892 -0.908 2.536) 6.478 8.255 ( -1.737 5.574 -4.092) 7.130 8.340 ( 2.485 -4.402 -5.342) 7.355 8.486 ( 2.617 1.719 1.112) 3.323 8.563 ( 0.600 -3.915 -0.555) 4.000 8.614 ( 0.625 0.523 -2.148) 2.297 8.647 ( -0.515 -1.677 -2.700) 3.220 8.696 ( 2.375 2.485 -0.472) 3.470 8.734 ( 1.595 -1.139 -1.980) 2.786 8.910 ( -1.198 1.988 3.908) 4.545 8.954 ( 0.724 -2.368 3.625) 4.390 8.995 ( 3.798 2.763 2.887) 5.513 9.021 ( 5.223 0.657 -0.541) 5.292 9.045 ( -0.924 1.037 2.144) 2.554 9.122 ( 0.699 -6.116 6.301) 8.809 9.271 ( 0.427 5.038 0.162) 5.059 9.329 ( -0.803 -0.414 0.710) 1.149 9.414 ( -0.407 6.562 -4.603) 8.026 9.526 ( 2.891 9.152 2.838) 10.009 9.539 ( 5.709 -3.074 -4.762) 8.044 9.675 ( -0.917 -0.160 2.888) 3.035 9.793 ( -5.223 -1.584 4.423) 7.024 9.884 ( -2.279 -5.509 2.957) 6.655 9.957 ( 3.361 4.754 -2.251) 6.242 10.052 ( -0.621 -3.324 -4.447) 5.587 10.271 ( -6.188 -0.590 1.321) 6.355 10.320 ( -2.832 -2.577 2.065) 4.351 10.345 ( -3.182 0.288 -0.414) 3.222 10.401 ( -1.563 -3.467 -1.062) 3.948 10.592 ( -5.662 1.688 -4.109) 7.197 10.647 ( -3.043 -1.832 -2.379) 4.275 10.897 ( -1.643 1.050 -1.121) 2.249 10.966 ( 4.774 0.455 -0.558) 4.828 11.001 ( -3.449 5.958 4.636) 8.300 11.213 ( 6.169 -6.100 4.488) 9.768 11.461 ( -0.675 -0.353 -2.411) 2.528 11.477 ( 0.217 -5.631 -0.293) 5.643 11.741 ( 4.743 3.581 -3.944) 7.133 11.771 ( 6.718 3.074 -1.405) 7.521 11.804 ( 9.973 -3.802 -8.509) 13.650 11.857 ( 2.267 -4.129 2.390) 5.282 11.992 ( 8.415 -1.323 0.273) 8.522 12.011 ( 6.153 0.429 4.234) 7.481 12.101 ( -0.838 -0.877 -3.799) 3.988 12.117 ( 0.219 -2.826 -1.559) 3.235 12.422 ( 12.069 9.245 -4.360) 15.816 12.523 ( 7.741 10.972 -3.961) 14.000 12.620 ( 8.535 -11.561 -2.985) 14.677 12.772 ( 2.303 -14.411 -6.332) 15.909 13.015 ( -1.641 0.229 2.699) 3.167 13.033 ( -0.646 -1.430 1.099) 1.916 13.317 ( 5.434 1.732 -7.303) 9.266 13.335 ( 4.010 -0.045 -11.573) 12.249 13.647 ( 10.680 7.975 7.533) 15.311 13.701 ( 9.802 3.337 -1.124) 10.415 13.827 ( 5.828 -1.351 7.204) 9.365 13.909 ( 10.694 -7.386 -0.318) 13.001 14.263 ( -3.602 3.268 3.927) 6.251 14.314 ( -5.436 -1.736 2.134) 6.093 14.571 ( -3.842 5.631 5.911) 9.023 14.634 ( -2.477 -0.614 1.815) 3.132 14.927 ( -6.258 1.929 3.503) 7.427 14.978 ( -6.395 -3.394 3.191) 7.912 15.244 ( -1.251 3.965 -2.771) 4.996 15.336 ( -0.890 -5.499 -2.161) 5.976 16.057 ( -8.614 4.521 3.856) 10.465 16.152 ( -7.364 -5.695 3.261) 9.864 16.240 ( -6.877 1.820 -3.583) 7.965 16.270 ( -6.917 -1.446 -3.217) 7.764 20.053 ( 1.647 1.908 -0.913) 2.681 20.091 ( 2.226 -1.810 -2.179) 3.603 20.172 ( 3.433 1.425 2.074) 4.257 20.239 ( 5.249 -5.433 0.224) 7.558 20.967 ( 2.177 4.088 0.760) 4.694 21.014 ( 1.044 -0.077 0.245) 1.075 21.123 ( 4.231 3.992 2.328) 6.266 21.195 ( 3.964 -2.406 1.944) 5.028 21.404 ( -6.271 11.341 -6.310) 14.414 21.513 ( 0.866 4.976 -1.979) 5.424 21.577 ( 1.724 4.281 3.155) 5.590 21.673 ( 5.378 0.151 2.296) 5.850 21.888 ( -0.718 0.489 -0.678) 1.102 21.965 ( 0.902 -5.587 1.912) 5.973 22.307 ( -6.385 -4.310 -0.200) 7.706 22.383 ( -6.494 -9.239 -5.458) 12.543 22.728 ( -1.975 2.303 -4.105) 5.105 22.785 ( -2.254 -3.815 -5.442) 7.017 23.015 ( 6.163 2.989 -3.982) 7.923 23.059 ( 7.068 -1.833 -1.600) 7.475 23.387 ( -7.523 4.163 11.580) 14.423 23.465 ( -7.752 -4.775 9.269) 12.992 24.244 ( -16.814 7.353 2.370) 18.504 24.347 ( -16.725 -3.759 -3.359) 17.468 25.773 ( 2.516 0.938 0.395) 2.714 25.796 ( 2.555 -1.224 1.103) 3.040 25.844 ( 4.424 2.614 -0.427) 5.156 25.915 ( 5.665 -4.783 -2.131) 7.714 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 12.059 4.276 2.649) 13.067 1.990 ( 15.911 1.145 3.031) 16.238 2.077 ( -4.265 4.127 4.137) 7.234 2.168 ( 5.590 5.117 3.702) 8.434 2.204 ( -1.685 -3.518 3.307) 5.114 2.277 ( -0.910 -2.564 -3.938) 4.786 2.296 ( -6.391 -2.181 -2.592) 7.233 2.336 ( -4.423 -2.181 0.245) 4.938 2.407 ( 1.378 -0.647 1.333) 2.023 2.469 ( 1.648 -6.642 -0.290) 6.850 2.531 ( 4.749 -0.872 -2.085) 5.260 2.552 ( 3.570 -2.656 -2.381) 5.047 2.677 ( -1.125 0.779 -3.040) 3.333 2.723 ( -0.392 -2.772 0.713) 2.889 2.763 ( 3.240 -0.462 -2.573) 4.163 2.769 ( -0.339 -0.305 1.858) 1.913 2.977 ( 3.747 2.121 -3.072) 5.289 3.007 ( 1.511 -0.271 -2.138) 2.632 3.111 ( -2.143 0.176 1.737) 2.764 3.119 ( -1.909 0.152 5.446) 5.773 3.183 ( -0.771 0.922 -0.997) 1.561 3.213 ( -0.051 -2.412 -4.242) 4.880 3.352 ( -2.533 2.538 -0.790) 3.671 3.397 ( -1.532 -1.607 5.283) 5.730 3.454 ( 2.770 3.828 0.941) 4.818 3.539 ( 2.676 -3.304 1.300) 4.446 3.585 ( -5.059 1.851 -1.613) 5.623 3.598 ( -3.121 1.467 2.720) 4.392 3.734 ( 2.900 1.773 -2.206) 4.052 3.764 ( 4.293 -0.556 -0.445) 4.352 3.826 ( 4.262 6.129 -0.257) 7.470 3.875 ( 7.297 0.013 -1.084) 7.377 3.986 ( -1.931 7.711 0.501) 7.965 4.031 ( 2.314 2.882 0.717) 3.765 4.115 ( 1.159 -0.427 -1.441) 1.898 4.131 ( 5.045 4.947 4.213) 8.227 4.219 ( -2.967 0.378 -2.023) 3.611 4.315 ( 5.326 -2.391 7.401) 9.426 4.349 ( -7.012 0.872 -4.246) 8.244 4.387 ( -2.007 -1.049 3.563) 4.222 4.485 ( -1.054 2.642 2.158) 3.571 4.502 ( -3.879 0.490 -0.896) 4.011 4.547 ( -0.618 5.019 -4.830) 6.993 4.664 ( -0.279 -7.060 -2.904) 7.639 4.781 ( 1.080 -0.342 -1.339) 1.753 4.794 ( 4.957 -0.560 -1.821) 5.311 4.885 ( 5.285 -0.908 1.735) 5.636 4.906 ( 0.033 -2.177 -1.594) 2.698 4.914 ( 8.778 -0.538 -1.913) 9.000 4.951 ( 5.539 -4.528 0.133) 7.156 5.217 ( 4.269 5.898 -4.821) 8.732 5.313 ( 5.057 -1.431 -1.362) 5.429 5.328 ( -0.078 1.228 -2.423) 2.718 5.391 ( 6.580 -4.762 -2.157) 8.404 5.465 ( -3.794 1.052 -2.830) 4.849 5.492 ( -1.092 -1.850 -1.067) 2.399 5.711 ( -6.544 4.881 4.373) 9.261 5.720 ( 0.272 3.460 3.322) 4.805 5.754 ( -5.647 1.185 2.036) 6.119 5.810 ( -2.118 -2.525 2.222) 3.975 5.904 ( -4.426 -0.499 0.707) 4.509 5.922 ( -5.325 -2.629 1.511) 6.128 5.967 ( -5.568 1.817 -2.113) 6.226 6.005 ( -5.390 -0.911 -1.602) 5.696 6.234 ( -1.564 8.431 -1.455) 8.697 6.314 ( -2.886 3.061 -1.256) 4.390 6.406 ( -3.054 3.119 2.863) 5.220 6.542 ( -1.256 -0.934 -0.173) 1.574 6.641 ( -0.074 -3.679 2.117) 4.245 6.705 ( -5.608 -9.002 1.163) 10.670 6.890 ( 2.329 -0.517 0.464) 2.430 6.901 ( -0.609 -1.007 0.187) 1.191 6.965 ( -0.904 0.789 2.037) 2.364 7.019 ( -0.702 -3.368 0.368) 3.460 7.067 ( 0.211 -0.743 1.426) 1.622 7.098 ( 0.540 -3.054 3.185) 4.446 7.304 ( 3.255 1.837 -1.042) 3.880 7.359 ( 4.768 -3.747 -1.773) 6.318 7.518 ( -0.709 4.959 0.049) 5.010 7.586 ( -1.612 -1.171 1.354) 2.409 7.614 ( -2.019 6.511 0.746) 6.857 7.738 ( -2.824 -4.846 2.145) 6.005 7.811 ( -5.175 5.093 3.263) 7.960 7.886 ( -5.997 -2.053 0.790) 6.388 8.236 ( 1.918 7.276 -2.953) 8.083 8.356 ( 3.280 -6.017 -5.369) 8.706 8.538 ( 1.875 1.649 -1.259) 2.797 8.577 ( -0.372 -1.382 -0.772) 1.626 8.601 ( 2.051 1.953 0.916) 2.977 8.639 ( 1.530 -0.928 -1.973) 2.664 8.744 ( 2.337 0.861 -1.039) 2.699 8.775 ( 2.637 -1.917 -4.144) 5.273 8.863 ( -4.989 4.531 3.035) 7.391 8.961 ( -3.329 -5.961 4.723) 8.302 9.045 ( -0.277 1.968 1.208) 2.325 9.062 ( 0.979 2.163 3.033) 3.852 9.109 ( 3.346 -0.707 1.328) 3.669 9.174 ( 1.581 -4.746 4.217) 6.543 9.253 ( -1.117 5.902 2.832) 6.641 9.335 ( -0.625 1.489 3.642) 3.984 9.434 ( 2.600 4.195 -1.167) 5.071 9.525 ( -0.649 0.582 0.521) 1.016 9.612 ( -1.266 -1.272 -0.765) 1.951 9.669 ( 1.088 -5.758 1.263) 5.994 9.776 ( 1.665 4.595 0.639) 4.929 9.871 ( -1.434 -2.801 2.395) 3.955 9.959 ( -0.351 4.727 1.226) 4.896 10.063 ( 1.843 -1.767 -1.339) 2.883 10.157 ( -6.892 4.978 0.148) 8.503 10.263 ( -0.505 4.249 -2.113) 4.772 10.345 ( -3.141 -8.142 -3.321) 9.338 10.377 ( 2.437 -8.040 3.024) 8.929 10.497 ( -0.619 6.543 -1.978) 6.863 10.615 ( 2.522 -2.964 -3.482) 5.222 10.803 ( -7.228 2.296 0.022) 7.584 10.910 ( -3.052 -5.910 -4.408) 7.980 11.087 ( 2.380 13.172 4.831) 14.231 11.305 ( 0.439 -2.417 4.068) 4.752 11.468 ( 2.648 -5.194 2.545) 6.361 11.500 ( 1.740 -10.225 1.419) 10.468 11.756 ( 0.634 5.118 -3.902) 6.467 11.851 ( 2.469 -1.253 -4.299) 5.113 11.890 ( 4.243 -0.048 -6.298) 7.594 11.963 ( 6.917 -3.434 0.703) 7.755 12.015 ( -2.059 0.880 -1.341) 2.610 12.046 ( -4.950 -1.194 -1.525) 5.315 12.097 ( 2.143 -0.555 0.115) 2.217 12.152 ( 2.717 -5.045 -0.990) 5.815 12.573 ( 6.865 8.799 -1.141) 11.218 12.620 ( 6.559 2.937 -3.881) 8.168 12.755 ( 2.940 -4.884 -0.167) 5.703 12.822 ( 6.504 -8.285 -2.016) 10.724 13.015 ( -0.991 0.530 -0.056) 1.125 13.056 ( 4.040 -1.860 -1.661) 4.747 13.321 ( 4.371 3.099 -8.863) 10.357 13.373 ( 3.612 -2.213 -4.301) 6.036 13.796 ( -0.541 8.105 3.266) 8.755 13.811 ( 3.958 2.796 -0.234) 4.851 13.873 ( -4.355 1.587 2.912) 5.474 14.041 ( 1.239 -9.761 -3.513) 10.448 14.239 ( -1.933 1.936 -0.257) 2.748 14.275 ( 0.987 -1.872 2.512) 3.285 14.581 ( 1.449 5.063 7.947) 9.533 14.623 ( 0.110 1.169 3.572) 3.760 14.833 ( -6.367 2.307 4.510) 8.136 14.893 ( -4.650 -4.124 3.534) 7.150 15.223 ( 0.726 4.250 -1.270) 4.494 15.315 ( 0.291 -5.426 -1.587) 5.661 15.940 ( -5.817 5.059 2.378) 8.067 16.052 ( -4.924 -7.034 1.945) 8.804 16.129 ( -1.856 1.882 -3.747) 4.585 16.165 ( -1.655 -2.027 -2.826) 3.851 20.078 ( 1.236 1.696 -0.169) 2.105 20.116 ( 1.523 -2.034 -1.364) 2.884 20.232 ( 1.207 1.615 2.611) 3.299 20.312 ( 2.167 -6.701 0.695) 7.077 21.016 ( 2.178 2.431 1.131) 3.454 21.039 ( 1.062 -0.082 1.137) 1.558 21.230 ( 2.854 3.530 0.490) 4.566 21.255 ( -1.493 4.109 -2.487) 5.030 21.271 ( -0.260 9.042 0.842) 9.084 21.440 ( -1.463 -4.105 -1.502) 4.609 21.695 ( -0.176 10.176 0.387) 10.185 21.738 ( 4.849 8.724 2.804) 10.367 21.885 ( 0.752 -4.970 -2.173) 5.476 22.039 ( 0.799 -14.205 5.638) 15.303 22.199 ( -2.293 -0.714 -2.032) 3.146 22.250 ( -2.558 -6.408 0.349) 6.908 22.674 ( -0.332 2.119 -5.290) 5.709 22.726 ( -0.135 -3.412 -4.763) 5.860 23.051 ( 0.562 3.174 -6.033) 6.840 23.099 ( -1.163 -2.315 -2.888) 3.880 23.402 ( -0.912 3.037 9.402) 9.923 23.448 ( -1.964 -2.266 9.388) 9.855 23.980 ( -10.359 6.627 -0.875) 12.328 24.072 ( -7.576 -3.491 -4.571) 9.512 25.810 ( 1.006 1.003 0.560) 1.527 25.835 ( 0.632 -1.316 1.299) 1.954 25.899 ( 1.762 3.169 -0.469) 3.656 25.977 ( 2.667 -5.005 -1.774) 5.942 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -16.922 8.551 0.606) 18.970 1.871 ( -14.409 6.363 1.091) 15.789 2.040 ( -10.898 -5.487 4.075) 12.864 2.097 ( -10.290 -11.485 -1.958) 15.544 2.268 ( 3.647 0.101 3.969) 5.391 2.293 ( 6.308 -2.644 0.846) 6.892 2.396 ( 8.751 5.551 1.112) 10.422 2.476 ( 10.808 1.701 2.465) 11.216 2.494 ( 5.265 -4.496 -0.246) 6.928 2.513 ( 7.650 -1.653 1.445) 7.959 2.600 ( 1.113 4.177 0.183) 4.327 2.651 ( 3.598 -0.689 -0.744) 3.738 2.716 ( 6.160 -2.560 1.152) 6.769 2.736 ( 1.555 -4.070 2.728) 5.140 2.802 ( 2.319 1.369 1.021) 2.880 2.821 ( 3.862 -0.788 -1.281) 4.145 2.955 ( -2.584 1.621 -4.182) 5.176 2.971 ( -3.893 0.917 -2.834) 4.902 3.047 ( -5.414 -1.637 -2.959) 6.383 3.082 ( -2.791 -3.922 0.687) 4.862 3.165 ( -0.610 3.965 -0.172) 4.015 3.236 ( 0.709 -2.965 1.969) 3.629 3.306 ( -2.656 2.441 1.749) 4.009 3.370 ( -3.874 -3.221 1.822) 5.358 3.449 ( -4.352 4.266 -1.834) 6.364 3.486 ( -2.831 2.912 0.492) 4.091 3.538 ( -1.234 -0.610 -3.659) 3.909 3.566 ( -5.590 -0.903 6.539) 8.650 3.730 ( 0.012 -0.066 -3.130) 3.131 3.759 ( -2.383 0.866 -1.831) 3.127 3.862 ( -6.352 8.475 0.945) 10.633 3.907 ( 1.083 3.776 -0.931) 4.037 3.976 ( 0.190 -0.276 -2.396) 2.419 4.002 ( -3.590 10.476 2.091) 11.270 4.020 ( -3.772 -0.899 -6.429) 7.508 4.162 ( -4.992 -4.956 2.247) 7.385 4.198 ( 1.423 -0.366 -2.213) 2.656 4.204 ( -2.104 0.251 -0.799) 2.265 4.325 ( -10.127 1.128 1.422) 10.288 4.398 ( -3.419 -3.060 4.050) 6.120 4.450 ( -0.708 6.477 -2.879) 7.123 4.520 ( 1.790 0.922 3.070) 3.671 4.553 ( 5.352 0.020 4.472) 6.975 4.624 ( -3.054 -8.017 -2.417) 8.913 4.683 ( -0.106 2.871 -2.899) 4.081 4.788 ( -0.228 -7.003 -1.029) 7.082 4.966 ( 2.696 4.242 1.480) 5.240 5.015 ( -0.452 2.628 -6.121) 6.677 5.046 ( 0.938 -1.748 -4.287) 4.724 5.082 ( 4.260 -5.859 2.618) 7.703 5.249 ( 5.521 5.920 2.973) 8.623 5.337 ( 12.059 -2.177 5.698) 13.514 5.419 ( 1.456 3.261 -5.051) 6.186 5.457 ( 7.227 2.833 -0.070) 7.762 5.530 ( -1.470 1.266 -0.366) 1.975 5.557 ( 2.424 -2.141 -2.139) 3.877 5.605 ( -1.504 2.962 2.456) 4.131 5.688 ( -2.204 0.217 -3.062) 3.779 5.703 ( -4.356 1.256 2.390) 5.125 5.735 ( -10.045 -2.234 -2.341) 10.553 5.780 ( 4.360 -0.190 0.243) 4.371 5.835 ( 2.129 -6.641 0.788) 7.019 6.035 ( 7.547 0.855 0.053) 7.595 6.043 ( 8.202 0.256 0.302) 8.212 6.260 ( 3.178 6.396 -0.048) 7.142 6.296 ( 2.703 6.844 -1.849) 7.587 6.419 ( 2.251 2.318 2.633) 4.168 6.532 ( 0.853 -1.155 -0.420) 1.496 6.648 ( -1.589 -4.114 2.467) 5.053 6.690 ( 3.204 -5.592 1.616) 6.644 6.892 ( -1.937 1.722 0.737) 2.695 6.930 ( 1.165 -1.402 0.604) 1.920 6.941 ( -2.110 -0.138 0.565) 2.189 7.021 ( -0.922 -6.754 0.702) 6.853 7.062 ( 1.505 -0.250 1.769) 2.336 7.106 ( -0.706 -4.417 0.980) 4.579 7.364 ( 1.925 3.003 2.873) 4.580 7.412 ( -1.949 -0.681 1.795) 2.736 7.515 ( 1.377 3.645 -1.504) 4.176 7.559 ( -0.417 1.682 1.939) 2.601 7.601 ( 0.770 1.926 -1.383) 2.493 7.694 ( -2.696 -3.014 -0.276) 4.053 7.759 ( -3.393 1.579 2.903) 4.737 7.812 ( -0.748 -2.095 -1.897) 2.923 8.273 ( 3.369 6.730 -0.923) 7.583 8.389 ( 3.152 -5.954 -2.830) 7.307 8.536 ( -0.519 3.375 -1.456) 3.712 8.573 ( -0.451 -0.850 1.601) 1.868 8.647 ( 2.005 2.528 -2.825) 4.288 8.655 ( 1.045 0.146 -1.561) 1.884 8.726 ( -2.043 0.248 -4.778) 5.202 8.743 ( -2.270 -2.398 -4.115) 5.276 8.835 ( -0.074 3.475 4.511) 5.695 8.945 ( -0.982 -7.448 4.456) 8.734 9.021 ( -3.091 3.132 4.043) 5.976 9.085 ( -1.646 -1.866 5.111) 5.685 9.165 ( 1.218 2.137 1.035) 2.668 9.213 ( -0.883 -0.480 3.299) 3.448 9.286 ( 1.569 2.470 2.598) 3.913 9.327 ( -2.459 -0.228 3.432) 4.228 9.445 ( -0.008 4.211 -0.806) 4.287 9.530 ( -1.838 6.051 1.207) 6.438 9.562 ( 0.494 -5.846 -2.492) 6.375 9.657 ( -3.290 -6.461 0.809) 7.295 9.851 ( 3.017 2.389 2.580) 4.633 9.882 ( 1.236 -0.006 3.482) 3.695 9.982 ( 0.345 6.021 2.638) 6.582 10.028 ( -1.805 11.347 -2.343) 11.726 10.118 ( 3.036 -8.165 -1.752) 8.886 10.227 ( -1.193 -7.964 -3.427) 8.752 10.315 ( 2.449 5.853 -0.912) 6.410 10.428 ( 0.159 -5.453 1.868) 5.766 10.533 ( 3.980 4.944 -2.454) 6.805 10.664 ( 2.657 -8.360 -3.217) 9.344 10.726 ( 2.078 5.656 2.046) 6.364 10.835 ( -0.350 -5.026 -5.830) 7.705 11.115 ( -2.491 11.763 5.271) 13.129 11.306 ( -2.134 -2.355 1.859) 3.682 11.512 ( -0.404 -6.400 2.525) 6.892 11.581 ( 3.918 -8.104 4.929) 10.262 11.736 ( 0.785 3.370 -5.209) 6.254 11.818 ( -2.578 -4.060 -4.779) 6.780 11.844 ( -5.406 3.443 -3.986) 7.548 11.921 ( -5.948 -4.003 -4.850) 8.656 11.993 ( 0.108 -0.190 -1.787) 1.800 12.062 ( 2.198 -5.998 -1.335) 6.526 12.107 ( -0.735 0.340 0.596) 1.006 12.146 ( 0.078 -2.560 0.950) 2.732 12.649 ( 1.612 4.352 -0.849) 4.718 12.699 ( 1.856 2.176 -1.076) 3.056 12.760 ( -1.416 0.048 -0.069) 1.418 12.888 ( -5.285 -5.535 -3.097) 8.256 12.940 ( -0.134 7.180 -0.515) 7.199 13.067 ( -0.990 -3.435 -3.521) 5.018 13.365 ( 1.642 5.862 -6.972) 9.256 13.423 ( 5.222 -1.581 -2.605) 6.046 13.663 ( -11.789 5.601 1.268) 13.114 13.768 ( -9.166 -4.845 -1.972) 10.554 13.835 ( -2.620 4.210 0.948) 5.049 13.985 ( 0.946 -12.185 -2.785) 12.535 14.209 ( -2.013 3.113 0.363) 3.725 14.267 ( -3.658 -3.316 2.812) 5.682 14.667 ( 0.060 5.806 5.718) 8.149 14.709 ( 5.053 1.587 3.424) 6.307 14.800 ( 0.225 2.611 6.959) 7.436 14.870 ( -0.873 -4.901 5.625) 7.512 15.251 ( 2.697 3.850 -0.945) 4.795 15.324 ( 1.734 -3.836 -2.142) 4.723 15.900 ( 0.786 5.115 0.739) 5.228 16.016 ( 0.487 -7.474 0.282) 7.495 16.139 ( 5.303 2.230 -2.894) 6.440 16.185 ( 5.214 -2.616 -1.610) 6.051 20.088 ( -0.249 1.726 0.165) 1.752 20.119 ( -0.325 -0.988 -1.526) 1.847 20.247 ( -1.665 0.465 3.305) 3.730 20.322 ( -1.580 -7.344 0.851) 7.560 21.041 ( -1.516 3.548 2.484) 4.589 21.061 ( -0.231 0.611 2.245) 2.338 21.132 ( -3.716 4.653 -2.001) 6.282 21.195 ( -4.624 -1.877 -3.071) 5.860 21.384 ( 4.867 10.260 1.493) 11.454 21.472 ( 4.011 1.160 -1.273) 4.365 21.648 ( -2.283 3.584 1.472) 4.497 21.753 ( -5.885 -3.813 -1.920) 7.270 21.900 ( 1.405 -1.872 1.338) 2.696 21.986 ( -4.921 -7.747 3.953) 9.993 22.233 ( 8.947 10.616 -0.154) 13.884 22.430 ( 13.738 -8.632 4.951) 16.963 22.653 ( 2.473 3.146 -6.570) 7.693 22.725 ( 4.314 -4.178 -6.438) 8.804 22.982 ( -2.730 1.301 -6.057) 6.771 23.024 ( -3.827 -3.129 -3.427) 6.015 23.349 ( -9.914 3.822 6.301) 12.353 23.407 ( -9.789 -2.700 8.714) 13.381 23.958 ( 9.038 9.989 -2.299) 13.665 24.105 ( 12.206 -5.999 -2.544) 13.836 25.812 ( -1.272 0.857 0.573) 1.637 25.832 ( -1.726 -1.166 1.209) 2.409 25.899 ( -1.322 3.680 -0.541) 3.948 25.989 ( -0.326 -5.744 -1.383) 5.917 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -17.907 16.700 -1.154) 24.513 1.608 ( -15.543 16.932 5.004) 23.523 1.833 ( -10.695 -15.181 -4.205) 19.040 1.936 ( -8.829 -17.050 5.768) 20.048 2.297 ( -0.484 4.201 -1.080) 4.365 2.365 ( -0.353 -3.841 -0.996) 3.983 2.473 ( -4.826 2.840 0.679) 5.640 2.510 ( 1.534 -0.727 -1.417) 2.211 2.566 ( -2.914 -0.002 0.071) 2.915 2.585 ( 0.030 -0.901 -0.023) 0.901 2.692 ( -0.595 3.813 2.076) 4.382 2.718 ( -2.440 2.306 -6.080) 6.945 2.729 ( -2.598 0.195 -2.420) 3.556 2.771 ( 0.434 2.730 -4.602) 5.368 2.802 ( 3.059 0.140 1.246) 3.306 2.844 ( 4.485 -2.005 0.716) 4.965 2.909 ( -1.548 3.131 0.266) 3.503 2.923 ( -0.875 2.387 -1.758) 3.090 2.993 ( -5.897 -0.100 3.352) 6.784 3.017 ( 4.392 -2.181 2.057) 5.318 3.137 ( -1.434 5.740 -0.053) 5.917 3.234 ( -3.785 -0.129 2.173) 4.366 3.257 ( -4.491 0.750 3.805) 5.934 3.305 ( -1.638 -3.671 3.113) 5.085 3.345 ( 1.872 -0.108 -1.741) 2.559 3.429 ( -4.479 -6.929 -0.312) 8.256 3.519 ( 1.637 1.857 -1.534) 2.912 3.563 ( -0.868 -0.836 3.834) 4.019 3.703 ( 0.695 2.922 -3.218) 4.402 3.727 ( -2.770 1.539 -1.237) 3.402 3.760 ( -9.621 7.175 -1.148) 12.057 3.833 ( -6.160 -1.513 -1.026) 6.426 3.886 ( -4.394 -1.378 -0.250) 4.612 3.935 ( -0.055 -0.851 -2.229) 2.386 3.996 ( -1.079 -0.057 -0.275) 1.115 4.061 ( -6.861 -5.013 -1.379) 8.608 4.147 ( 0.672 7.182 1.730) 7.418 4.179 ( -7.422 4.434 5.015) 9.995 4.248 ( -2.405 -4.009 1.466) 4.899 4.319 ( -2.782 -7.679 3.900) 9.051 4.476 ( 4.943 4.851 -2.948) 7.527 4.525 ( -1.274 0.166 1.335) 1.853 4.578 ( -2.081 0.533 1.390) 2.559 4.625 ( -1.784 -3.888 -2.880) 5.157 4.718 ( 3.794 0.710 -1.377) 4.099 4.807 ( 1.537 -6.887 -2.727) 7.565 4.874 ( -2.646 6.106 -1.501) 6.822 4.967 ( -1.096 -3.043 -2.177) 3.899 5.104 ( 2.531 3.252 -1.469) 4.375 5.212 ( -1.942 -5.765 -0.809) 6.137 5.266 ( -1.357 4.908 -0.631) 5.131 5.307 ( -4.045 2.169 0.977) 4.693 5.356 ( -7.587 0.854 -2.717) 8.104 5.376 ( -7.545 -3.319 -2.650) 8.658 5.530 ( -0.445 3.155 -2.541) 4.076 5.592 ( 0.335 -0.681 -0.369) 0.844 5.665 ( 10.731 1.799 1.185) 10.945 5.736 ( 9.042 -3.164 2.204) 9.830 5.780 ( 10.007 1.952 1.123) 10.258 5.809 ( 8.238 -1.785 -0.555) 8.448 5.897 ( 6.212 0.194 0.635) 6.248 5.925 ( 6.214 -2.362 1.796) 6.886 6.205 ( 10.369 1.030 -0.683) 10.443 6.227 ( 11.418 -1.674 -1.781) 11.677 6.312 ( 3.761 6.250 -0.642) 7.323 6.365 ( 4.028 2.449 0.360) 4.728 6.491 ( 2.179 2.590 3.847) 5.124 6.577 ( 1.079 -2.380 0.487) 2.658 6.665 ( 3.929 5.317 1.438) 6.766 6.752 ( 2.505 -2.396 -1.846) 3.927 6.854 ( -1.104 1.855 -0.497) 2.215 6.912 ( -3.018 1.584 2.420) 4.180 6.939 ( -0.958 -4.898 0.634) 5.031 6.971 ( -3.991 -5.883 3.309) 7.841 7.124 ( 2.623 -0.692 0.346) 2.734 7.139 ( 2.281 -1.341 0.293) 2.662 7.352 ( -2.209 3.453 2.104) 4.608 7.387 ( -0.286 1.207 -1.079) 1.644 7.519 ( -1.025 0.178 -0.829) 1.330 7.539 ( -2.226 -1.831 -2.309) 3.693 7.624 ( 2.465 1.665 0.965) 3.127 7.678 ( 0.671 -4.472 2.521) 5.177 7.769 ( 4.192 4.171 2.288) 6.341 7.840 ( 3.650 -2.869 1.099) 4.771 8.340 ( 3.832 5.758 0.643) 6.947 8.429 ( 1.841 -4.053 0.636) 4.497 8.499 ( -2.121 2.000 -3.404) 4.481 8.553 ( -2.227 -3.380 -3.825) 5.569 8.605 ( -2.573 2.421 2.019) 4.069 8.649 ( 0.202 6.043 -2.043) 6.382 8.678 ( -2.780 -3.874 0.125) 4.770 8.746 ( 3.995 -3.316 -1.089) 5.305 8.839 ( -1.754 2.536 0.833) 3.193 8.933 ( -3.618 -7.509 1.349) 8.444 9.031 ( 0.741 4.181 5.882) 7.254 9.080 ( -2.501 -0.416 5.315) 5.889 9.152 ( -3.253 3.375 6.167) 7.746 9.210 ( -2.560 0.445 2.272) 3.451 9.258 ( -2.795 1.729 -2.375) 4.055 9.321 ( -1.974 -2.118 0.691) 2.977 9.447 ( -0.428 4.069 -1.986) 4.548 9.467 ( -1.343 0.217 -1.499) 2.024 9.575 ( -2.261 1.680 -3.993) 4.886 9.631 ( 3.339 -0.755 3.282) 4.742 9.860 ( -2.376 2.957 8.049) 8.898 9.965 ( 1.736 -3.396 2.057) 4.333 9.996 ( 2.490 4.234 1.663) 5.186 10.070 ( 1.580 -4.395 -4.539) 6.513 10.129 ( 7.479 8.190 -0.061) 11.091 10.294 ( 6.011 -6.019 -0.979) 8.563 10.383 ( 3.792 -0.422 1.420) 4.071 10.395 ( -1.064 -0.548 -0.972) 1.542 10.581 ( 3.216 1.263 -3.156) 4.680 10.670 ( 0.968 -7.404 -5.706) 9.398 10.838 ( 5.879 2.645 2.180) 6.805 10.862 ( 5.190 0.407 -3.265) 6.145 11.080 ( -5.324 8.956 7.132) 12.626 11.248 ( -5.798 -7.246 1.426) 9.389 11.511 ( -1.196 0.986 0.619) 1.669 11.596 ( -5.666 -4.592 -0.920) 7.351 11.646 ( -8.216 1.365 -7.035) 10.902 11.716 ( -0.387 -2.088 -6.155) 6.511 11.774 ( -0.684 -4.689 1.689) 5.031 11.823 ( -1.284 -5.582 -1.207) 5.853 11.943 ( -4.118 2.582 0.339) 4.873 12.037 ( -3.302 -6.700 -0.406) 7.481 12.122 ( 2.510 4.447 -0.636) 5.146 12.187 ( 2.232 -1.796 -1.405) 3.191 12.558 ( -15.010 3.755 -2.606) 15.690 12.589 ( -12.440 0.135 1.513) 12.532 12.686 ( -2.965 3.017 -10.626) 11.437 12.726 ( -0.300 -2.752 -4.144) 4.984 12.955 ( -2.702 4.362 -0.770) 5.189 13.062 ( -0.364 -5.713 0.971) 5.806 13.235 ( -6.253 8.004 -4.874) 11.266 13.396 ( -9.938 -9.345 -6.178) 14.975 13.510 ( -1.916 4.388 -0.348) 4.800 13.593 ( -5.346 -4.133 -2.514) 7.209 13.795 ( -4.717 8.761 6.494) 11.882 13.995 ( -5.936 -12.841 5.790) 15.286 14.198 ( 2.412 0.374 0.128) 2.444 14.229 ( 0.945 -2.708 -1.211) 3.113 14.675 ( -2.424 6.680 5.443) 8.951 14.755 ( 0.052 -1.076 -0.591) 1.229 14.912 ( 3.431 1.110 9.883) 10.521 14.934 ( 2.738 -1.722 6.342) 7.120 15.292 ( 2.609 2.967 -1.992) 4.424 15.341 ( 1.961 -2.174 -3.277) 4.394 15.978 ( 6.773 4.506 0.740) 8.169 16.076 ( 5.843 -6.154 -0.085) 8.487 16.263 ( 9.069 2.468 -1.954) 9.600 16.310 ( 8.566 -2.510 -0.891) 8.971 20.068 ( -1.931 1.663 -0.597) 2.618 20.084 ( -2.003 0.451 -1.644) 2.630 20.219 ( -3.445 -1.224 2.865) 4.645 20.266 ( -4.869 -6.544 0.455) 8.170 20.990 ( -3.702 7.183 1.120) 8.158 21.051 ( -2.410 3.864 1.223) 4.716 21.086 ( -2.646 -2.522 1.701) 4.032 21.121 ( -1.378 -3.551 -0.332) 3.823 21.355 ( -4.645 10.273 -3.619) 11.840 21.513 ( -2.168 -4.339 -3.917) 6.235 21.653 ( 0.060 1.001 1.354) 1.685 21.682 ( 2.702 -0.426 3.582) 4.507 21.892 ( -1.287 1.189 0.543) 1.834 21.996 ( 1.858 -10.053 2.653) 10.562 22.469 ( 14.772 17.133 -3.071) 22.830 22.616 ( 2.437 -2.142 2.248) 3.947 22.685 ( 5.402 3.134 -10.026) 11.812 22.807 ( 7.954 -6.198 -13.863) 17.142 22.919 ( -0.743 1.577 5.057) 5.350 22.992 ( 4.762 -4.934 1.567) 7.034 23.221 ( -7.011 3.043 6.740) 10.190 23.289 ( -6.513 -4.610 8.629) 11.753 24.178 ( 14.118 13.231 -0.767) 19.364 24.372 ( 16.684 -7.793 -1.373) 18.465 25.776 ( -2.776 0.759 0.485) 2.919 25.793 ( -3.120 -0.936 0.921) 3.385 25.846 ( -4.103 3.658 -0.566) 5.526 25.943 ( -4.007 -6.898 -1.302) 8.083 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -11.253 24.100 -2.997) 26.766 1.380 ( -13.870 24.619 6.879) 29.083 1.652 ( -4.126 -20.489 -7.712) 22.277 1.812 ( -9.564 -21.795 4.509) 24.224 2.248 ( -5.684 1.426 0.641) 5.895 2.272 ( -4.449 4.085 -5.962) 8.487 2.302 ( -4.095 14.645 -0.589) 15.218 2.400 ( -7.730 6.558 -7.028) 12.335 2.489 ( -7.591 1.256 0.466) 7.708 2.575 ( -0.109 3.971 -0.828) 4.057 2.625 ( -4.370 2.364 5.323) 7.281 2.686 ( 0.878 2.926 0.669) 3.127 2.706 ( -0.149 1.130 1.155) 1.623 2.784 ( -0.819 -0.689 -0.634) 1.244 2.789 ( 0.095 -1.735 3.322) 3.749 2.834 ( -3.562 3.081 3.645) 5.956 2.861 ( -1.435 -1.042 0.663) 1.893 3.000 ( 3.420 1.142 -0.965) 3.733 3.037 ( 2.936 -2.837 -2.090) 4.587 3.074 ( 5.583 -1.678 -2.319) 6.274 3.145 ( 2.251 -0.404 -0.152) 2.292 3.229 ( 0.616 -4.737 4.834) 6.796 3.289 ( 1.561 2.449 -1.222) 3.151 3.334 ( 1.500 -6.716 5.421) 8.761 3.365 ( 0.880 -2.350 -1.756) 3.063 3.380 ( 0.588 -3.824 -1.356) 4.100 3.467 ( -9.189 0.843 0.426) 9.237 3.519 ( -9.276 -2.899 -0.761) 9.748 3.543 ( -1.205 1.556 -2.454) 3.145 3.595 ( -5.496 -3.764 -5.520) 8.651 3.732 ( 0.328 3.075 0.538) 3.138 3.803 ( 0.699 -3.229 1.285) 3.545 3.848 ( 0.460 0.615 -0.822) 1.125 3.904 ( -3.827 -2.262 2.637) 5.168 3.987 ( -1.908 8.219 1.890) 8.646 4.027 ( 0.228 4.263 1.387) 4.488 4.057 ( -2.666 -1.148 0.117) 2.905 4.175 ( -2.839 -5.237 -0.783) 6.008 4.190 ( 0.557 4.529 2.074) 5.013 4.289 ( -5.924 -6.272 2.177) 8.897 4.486 ( -6.996 2.636 -0.262) 7.480 4.509 ( -1.965 -0.278 5.335) 5.692 4.554 ( -0.579 0.032 -1.199) 1.332 4.612 ( 5.006 -1.973 -3.295) 6.310 4.694 ( -4.254 1.206 0.040) 4.422 4.752 ( -2.080 -5.520 -2.973) 6.606 4.870 ( -3.349 3.916 -2.094) 5.562 4.932 ( 1.199 0.248 -0.855) 1.493 5.076 ( -1.068 2.011 -6.671) 7.048 5.077 ( -4.206 0.084 -3.574) 5.521 5.192 ( -0.328 0.745 -5.468) 5.528 5.226 ( -1.992 -3.118 -0.911) 3.811 5.342 ( 1.835 -2.155 2.436) 3.734 5.393 ( 2.928 -7.183 -0.958) 7.816 5.541 ( 2.841 8.230 -1.777) 8.886 5.669 ( 5.577 -2.681 -0.830) 6.243 5.796 ( 3.106 -0.305 2.884) 4.250 5.845 ( 3.390 -4.441 5.087) 7.556 5.950 ( 7.348 1.473 -0.292) 7.500 5.958 ( 6.383 -0.029 -0.060) 6.383 6.037 ( 8.184 3.542 2.563) 9.278 6.078 ( 8.700 -0.852 0.924) 8.790 6.310 ( 2.214 3.651 -5.386) 6.873 6.343 ( 3.286 -0.541 -3.400) 4.759 6.407 ( 3.700 4.414 2.308) 6.205 6.440 ( 3.197 2.898 0.141) 4.317 6.530 ( -3.811 -1.862 0.715) 4.301 6.565 ( 1.477 -2.856 1.325) 3.478 6.734 ( 1.923 10.118 0.914) 10.340 6.762 ( -2.264 2.516 1.608) 3.747 6.836 ( -2.162 -3.811 1.820) 4.745 6.860 ( -1.523 1.639 2.790) 3.576 6.923 ( 0.052 -9.066 0.348) 9.073 6.955 ( -1.451 -6.095 3.348) 7.104 7.110 ( -1.897 1.913 0.655) 2.772 7.143 ( -2.111 -2.162 0.041) 3.022 7.350 ( -4.358 2.920 0.456) 5.266 7.392 ( 0.621 0.297 -4.692) 4.742 7.430 ( 1.136 3.398 -9.055) 9.738 7.516 ( 2.572 -4.171 -4.237) 6.478 7.775 ( 9.465 3.558 4.632) 11.122 7.823 ( 12.690 -2.146 3.609) 13.366 7.878 ( 5.765 3.664 3.657) 7.748 7.952 ( 6.354 -3.450 7.292) 10.269 8.385 ( -3.226 3.338 0.728) 4.698 8.424 ( -5.525 -1.474 -0.007) 5.719 8.443 ( -0.004 1.287 1.854) 2.257 8.485 ( -1.181 -1.892 -0.779) 2.363 8.586 ( -0.376 3.232 -3.880) 5.064 8.613 ( 1.960 -1.106 0.780) 2.381 8.710 ( 1.147 2.030 3.783) 4.444 8.786 ( -0.020 -4.969 -1.545) 5.204 8.807 ( -1.952 1.694 1.270) 2.879 8.873 ( -2.514 -4.999 4.744) 7.336 9.029 ( -6.572 3.243 2.857) 7.866 9.070 ( -1.874 0.143 2.638) 3.239 9.130 ( -3.616 3.227 0.753) 4.905 9.148 ( -3.517 1.173 4.543) 5.864 9.203 ( -0.783 1.243 -4.336) 4.578 9.269 ( -2.467 -2.100 -1.374) 3.519 9.415 ( -1.964 2.192 -6.412) 7.055 9.439 ( 2.510 1.629 -2.279) 3.762 9.550 ( -0.436 3.339 0.642) 3.428 9.667 ( -3.580 -4.293 1.723) 5.849 9.901 ( -0.710 1.673 9.046) 9.226 9.976 ( -0.645 0.201 2.795) 2.876 10.030 ( 3.190 8.009 0.038) 8.621 10.176 ( 8.515 -1.729 -2.473) 9.034 10.271 ( 6.804 1.291 -2.665) 7.420 10.354 ( 1.881 -3.135 -3.555) 5.099 10.408 ( 4.967 1.789 3.164) 6.155 10.522 ( 8.996 -6.486 1.787) 11.233 10.579 ( -0.137 -0.793 -6.502) 6.551 10.653 ( 1.645 -5.414 -4.498) 7.229 10.873 ( -1.268 3.957 1.059) 4.288 10.930 ( 0.284 -1.134 -2.648) 2.894 11.011 ( -6.051 2.432 3.041) 7.195 11.086 ( -12.703 -5.553 0.371) 13.868 11.459 ( -0.037 3.655 -0.176) 3.660 11.498 ( -0.920 -0.461 -3.132) 3.296 11.573 ( 2.791 -0.222 -1.610) 3.230 11.667 ( 0.881 -6.841 -7.401) 10.117 11.751 ( -4.655 0.864 1.089) 4.858 11.796 ( -4.429 -2.296 -0.503) 5.014 11.873 ( -5.207 2.963 0.591) 6.020 11.959 ( -3.841 -5.882 -1.428) 7.168 12.114 ( -4.494 2.202 -3.063) 5.868 12.148 ( -4.777 -0.514 -7.562) 8.960 12.287 ( -6.277 6.799 -2.197) 9.510 12.381 ( -5.558 -1.882 0.722) 5.912 12.634 ( 1.611 0.362 -7.081) 7.271 12.706 ( 0.927 -6.200 -3.413) 7.138 12.824 ( -8.472 3.238 2.239) 9.342 12.928 ( -11.505 -6.548 6.106) 14.578 13.207 ( 2.291 5.499 -0.634) 5.991 13.304 ( 0.931 -4.753 0.065) 4.844 13.458 ( -1.859 2.578 -4.328) 5.369 13.493 ( -2.069 -0.511 -5.804) 6.183 13.734 ( -6.445 5.054 5.785) 10.027 13.822 ( -12.328 -4.441 0.571) 13.116 14.273 ( 3.232 -0.647 0.226) 3.303 14.301 ( 4.541 -3.459 4.645) 7.360 14.661 ( -2.825 5.860 5.236) 8.351 14.735 ( -1.498 -1.423 -0.148) 2.071 15.011 ( 0.983 -0.419 7.474) 7.550 15.018 ( 1.468 -0.294 6.514) 6.683 15.316 ( 1.762 2.170 -2.951) 4.065 15.355 ( 1.934 -1.755 -2.910) 3.910 16.120 ( 6.539 4.048 2.209) 8.002 16.201 ( 6.354 -4.743 1.314) 8.037 16.404 ( 6.948 2.557 -1.861) 7.634 16.449 ( 6.674 -2.090 -1.462) 7.145 20.020 ( -1.910 1.693 -1.092) 2.776 20.042 ( -1.434 -0.202 -1.162) 1.857 20.164 ( -4.254 -1.974 0.859) 4.768 20.170 ( -4.556 -2.451 -0.097) 5.175 20.946 ( -2.372 6.204 1.701) 6.856 21.013 ( -0.820 3.139 -0.943) 3.379 21.058 ( -2.931 -2.643 3.529) 5.295 21.107 ( -0.407 -3.214 0.315) 3.255 21.261 ( -2.801 9.291 -0.852) 9.742 21.423 ( -3.223 -6.923 -0.333) 7.643 21.694 ( 1.715 3.508 0.410) 3.926 21.743 ( 1.521 -1.065 0.184) 1.866 21.892 ( 0.497 5.129 0.411) 5.169 22.033 ( 1.182 -8.779 -1.184) 8.937 22.572 ( 3.090 9.730 -17.246) 20.041 22.676 ( 0.930 -0.896 -2.923) 3.196 22.677 ( 4.127 0.729 2.020) 4.653 22.766 ( -0.673 -7.526 -8.714) 11.534 23.017 ( 0.769 1.729 -2.123) 2.844 23.044 ( -0.229 -1.023 -4.841) 4.953 23.296 ( 10.280 5.791 17.512) 21.116 23.413 ( 9.602 -7.415 12.095) 17.131 24.415 ( 10.648 15.022 2.580) 18.593 24.647 ( 13.504 -9.740 -0.694) 16.664 25.729 ( -2.331 0.681 0.278) 2.444 25.742 ( -2.720 -0.422 0.351) 2.775 25.757 ( -4.558 1.882 -0.253) 4.938 25.824 ( -7.820 -5.581 -1.049) 9.664 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -2.745 0.000 25.833) 25.978 1.192 ( 0.330 0.000 30.118) 30.120 1.487 ( 2.175 0.000 26.175) 26.266 1.499 ( 2.966 0.000 -22.400) 22.595 1.727 ( 0.021 0.000 -25.797) 25.797 1.864 ( -2.715 0.000 -15.417) 15.655 2.398 ( -0.798 0.000 0.369) 0.879 2.413 ( -2.048 0.000 -0.508) 2.110 2.551 ( -0.168 0.000 3.954) 3.958 2.593 ( 0.495 0.000 -3.197) 3.235 2.631 ( 1.255 0.000 0.008) 1.255 2.637 ( 1.460 0.000 2.139) 2.590 2.744 ( -0.378 0.000 0.148) 0.406 2.748 ( 4.268 0.000 -0.179) 4.272 2.805 ( 2.025 0.000 4.082) 4.556 2.816 ( -7.076 0.000 -3.304) 7.809 2.892 ( 4.375 0.000 8.186) 9.282 2.894 ( 2.397 0.000 1.128) 2.649 2.902 ( -6.368 0.000 0.287) 6.375 3.082 ( 2.324 0.000 -3.226) 3.976 3.116 ( -4.536 0.000 2.579) 5.217 3.232 ( -0.544 0.000 -5.111) 5.139 3.266 ( 1.862 0.000 3.255) 3.750 3.340 ( -0.621 0.000 -5.899) 5.932 3.344 ( 1.587 0.000 1.286) 2.043 3.387 ( 0.934 0.000 -3.512) 3.634 3.493 ( 2.247 0.000 1.510) 2.707 3.503 ( -2.865 0.000 0.566) 2.921 3.533 ( 3.961 0.000 -5.257) 6.582 3.543 ( -1.631 0.000 -3.516) 3.876 3.731 ( -7.016 0.000 2.838) 7.568 3.746 ( 0.494 0.000 -0.974) 1.092 3.792 ( 0.516 0.000 -0.937) 1.069 3.853 ( 2.945 0.000 -4.772) 5.607 3.926 ( 2.136 0.000 -0.394) 2.172 3.928 ( 2.489 0.000 0.614) 2.564 4.126 ( -1.563 0.000 4.126) 4.412 4.188 ( -1.349 0.000 6.416) 6.556 4.226 ( 4.990 0.000 -3.297) 5.981 4.303 ( -5.902 0.000 -3.879) 7.063 4.462 ( -9.063 0.000 -1.659) 9.214 4.487 ( 3.513 0.000 -1.467) 3.807 4.610 ( 3.481 0.000 -1.276) 3.708 4.673 ( 4.635 0.000 -3.498) 5.807 4.691 ( -2.811 0.000 -0.612) 2.877 4.709 ( -2.456 0.000 -4.060) 4.745 4.814 ( 4.637 0.000 7.093) 8.474 4.884 ( -1.685 0.000 -0.784) 1.859 5.007 ( -0.672 0.000 10.239) 10.261 5.128 ( 0.573 0.000 -2.085) 2.163 5.231 ( 0.323 0.000 -1.368) 1.406 5.276 ( 0.191 0.000 -5.527) 5.531 5.488 ( 4.662 0.000 6.470) 7.975 5.557 ( -3.425 0.000 1.325) 3.672 5.646 ( -6.183 0.000 1.503) 6.363 5.753 ( 6.240 0.000 -3.329) 7.073 5.826 ( 6.920 0.000 -2.226) 7.269 5.848 ( -3.642 0.000 -0.559) 3.684 5.918 ( -1.265 0.000 -4.162) 4.350 5.918 ( -1.222 0.000 -4.326) 4.496 6.212 ( 1.601 0.000 7.772) 7.935 6.231 ( 0.405 0.000 2.054) 2.094 6.258 ( -3.208 0.000 -0.008) 3.208 6.301 ( -5.685 0.000 -1.962) 6.014 6.321 ( 1.497 0.000 -0.046) 1.498 6.322 ( 4.586 0.000 -1.325) 4.774 6.533 ( 0.836 0.000 2.000) 2.167 6.577 ( -1.648 0.000 -2.144) 2.705 6.726 ( -0.064 0.000 2.759) 2.759 6.764 ( 2.681 0.000 -0.139) 2.684 6.776 ( -4.133 0.000 6.979) 8.110 6.847 ( 4.171 0.000 -1.594) 4.465 6.989 ( -1.619 0.000 1.739) 2.376 7.021 ( -9.435 0.000 2.394) 9.734 7.092 ( -1.487 0.000 -1.849) 2.373 7.143 ( 4.303 0.000 -5.373) 6.883 7.301 ( 9.286 0.000 5.041) 10.566 7.399 ( -8.219 0.000 2.286) 8.531 7.478 ( -4.483 0.000 -7.143) 8.433 7.501 ( 6.070 0.000 -1.761) 6.320 7.764 ( -0.480 0.000 5.055) 5.078 7.826 ( 1.208 0.000 0.286) 1.241 7.888 ( 1.399 0.000 5.538) 5.712 8.088 ( -1.854 0.000 -13.473) 13.600 8.343 ( 1.376 0.000 2.935) 3.241 8.374 ( 0.171 0.000 0.082) 0.190 8.451 ( 1.300 0.000 2.270) 2.616 8.453 ( -6.194 0.000 1.849) 6.464 8.527 ( -6.214 0.000 4.789) 7.845 8.634 ( 10.631 0.000 -6.299) 12.357 8.689 ( 3.344 0.000 3.119) 4.573 8.807 ( 1.377 0.000 -8.473) 8.585 8.831 ( -1.613 0.000 1.398) 2.135 8.843 ( 2.011 0.000 0.209) 2.022 8.917 ( -2.105 0.000 -1.534) 2.605 8.950 ( -0.467 0.000 -4.097) 4.124 9.092 ( 0.647 0.000 1.766) 1.881 9.128 ( 0.747 0.000 -1.159) 1.379 9.161 ( -10.342 0.000 3.780) 11.011 9.195 ( 6.060 0.000 -0.432) 6.076 9.370 ( 3.288 0.000 0.895) 3.408 9.421 ( -3.783 0.000 -3.350) 5.053 9.573 ( -1.458 0.000 9.314) 9.427 9.598 ( -0.477 0.000 6.379) 6.397 9.799 ( -3.441 0.000 -2.658) 4.348 9.806 ( 2.339 0.000 -4.631) 5.188 10.293 ( -3.059 0.000 1.519) 3.416 10.343 ( -0.002 0.000 -1.947) 1.947 10.420 ( -4.368 0.000 8.282) 9.364 10.544 ( -0.537 0.000 3.065) 3.112 10.549 ( 1.583 0.000 -4.810) 5.064 10.592 ( -0.925 0.000 -1.564) 1.817 10.708 ( 11.349 0.000 -0.984) 11.391 10.727 ( -6.614 0.000 -1.323) 6.745 10.855 ( -8.061 0.000 2.443) 8.423 10.880 ( 16.528 0.000 -0.981) 16.557 11.036 ( -8.558 0.000 5.651) 10.255 11.146 ( 2.417 0.000 -4.460) 5.072 11.337 ( 13.777 0.000 5.319) 14.768 11.423 ( -14.303 0.000 -4.611) 15.028 11.509 ( 4.261 0.000 0.246) 4.268 11.541 ( -2.278 0.000 -3.291) 4.003 11.643 ( 2.410 0.000 5.163) 5.698 11.777 ( -2.166 0.000 -8.794) 9.057 11.843 ( 5.108 0.000 5.096) 7.215 11.858 ( -7.429 0.000 0.197) 7.432 12.014 ( -0.117 0.000 2.455) 2.458 12.042 ( 3.285 0.000 -0.127) 3.288 12.055 ( 1.020 0.000 -1.798) 2.067 12.153 ( -2.968 0.000 -7.935) 8.472 12.721 ( -0.561 0.000 5.459) 5.488 12.927 ( 6.805 0.000 -16.443) 17.796 13.061 ( 0.953 0.000 1.426) 1.715 13.072 ( 4.705 0.000 1.195) 4.854 13.129 ( 4.469 0.000 4.094) 6.061 13.171 ( -3.949 0.000 2.830) 4.859 13.241 ( -9.788 0.000 -1.973) 9.985 13.283 ( 4.282 0.000 -4.192) 5.992 13.717 ( -5.230 0.000 4.837) 7.124 13.733 ( 6.546 0.000 3.451) 7.400 14.315 ( 0.608 0.000 1.129) 1.283 14.356 ( -2.323 0.000 -3.555) 4.246 14.609 ( -0.849 0.000 2.651) 2.784 14.638 ( -0.400 0.000 -0.268) 0.482 15.099 ( -3.499 0.000 4.236) 5.494 15.178 ( 2.256 0.000 -4.018) 4.608 15.412 ( 4.459 0.000 0.884) 4.546 15.434 ( -5.536 0.000 -1.183) 5.661 16.221 ( -0.265 0.000 4.910) 4.917 16.314 ( 0.520 0.000 -4.815) 4.843 16.430 ( 1.179 0.000 2.501) 2.765 16.473 ( -0.880 0.000 -1.829) 2.030 19.971 ( 1.368 0.000 0.042) 1.369 19.974 ( -1.172 0.000 -0.298) 1.210 20.124 ( -0.975 0.000 0.878) 1.312 20.146 ( -0.859 0.000 -1.426) 1.664 20.853 ( -1.676 0.000 2.239) 2.796 20.885 ( 1.662 0.000 -1.275) 2.094 20.937 ( 1.045 0.000 0.931) 1.399 20.953 ( -1.390 0.000 -0.797) 1.602 21.168 ( -2.931 0.000 3.645) 4.678 21.231 ( 2.090 0.000 -2.915) 3.587 21.590 ( -0.396 0.000 2.700) 2.729 21.628 ( 0.954 0.000 -1.035) 1.408 21.906 ( 2.749 0.000 1.513) 3.138 21.918 ( -3.004 0.000 0.413) 3.032 22.650 ( 1.245 0.000 2.412) 2.715 22.725 ( 0.175 0.000 -5.148) 5.151 22.752 ( 6.346 0.000 3.729) 7.360 22.829 ( -6.716 0.000 -4.089) 7.863 22.989 ( 1.539 0.000 1.044) 1.860 23.041 ( -1.446 0.000 -3.997) 4.250 23.592 ( 0.077 0.000 10.847) 10.848 23.769 ( 0.358 0.000 -7.889) 7.897 24.790 ( 5.995 0.000 0.310) 6.003 24.802 ( -2.148 0.000 -0.896) 2.327 25.695 ( -0.248 0.000 -0.025) 0.250 25.695 ( 0.258 0.000 -0.021) 0.258 25.734 ( 0.411 0.000 0.250) 0.481 25.738 ( -2.664 0.000 -0.167) 2.669 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 6.275 0.000 22.175) 23.046 1.356 ( 2.548 0.000 -20.115) 20.276 1.512 ( 12.262 0.000 23.604) 26.599 1.648 ( 10.245 0.000 -25.454) 27.439 1.956 ( 25.238 0.000 13.834) 28.781 1.990 ( 22.631 0.000 -10.840) 25.093 2.422 ( 2.077 0.000 0.985) 2.299 2.422 ( 0.412 0.000 3.755) 3.778 2.554 ( 0.652 0.000 1.316) 1.468 2.575 ( -3.136 0.000 -2.126) 3.789 2.634 ( -1.324 0.000 -1.151) 1.755 2.654 ( 2.271 0.000 -2.215) 3.172 2.691 ( -1.622 0.000 -1.647) 2.312 2.723 ( -1.673 0.000 -0.112) 1.676 2.757 ( -5.226 0.000 -2.789) 5.924 2.838 ( 0.081 0.000 2.946) 2.947 2.901 ( 4.243 0.000 3.415) 5.446 2.953 ( 2.901 0.000 -1.467) 3.251 3.051 ( 5.644 0.000 5.495) 7.877 3.084 ( -2.939 0.000 -2.384) 3.784 3.111 ( 1.729 0.000 7.664) 7.857 3.241 ( -0.673 0.000 -1.561) 1.700 3.267 ( 5.522 0.000 -4.825) 7.333 3.301 ( 1.935 0.000 2.399) 3.082 3.360 ( -0.630 0.000 0.545) 0.833 3.368 ( 1.606 0.000 -8.257) 8.412 3.442 ( -3.455 0.000 0.346) 3.473 3.536 ( 1.851 0.000 -4.330) 4.709 3.539 ( 4.624 0.000 2.185) 5.114 3.633 ( 6.985 0.000 -3.794) 7.949 3.694 ( -2.980 0.000 2.240) 3.728 3.719 ( -1.407 0.000 0.235) 1.426 3.730 ( -3.964 0.000 4.148) 5.737 3.911 ( 4.731 0.000 -3.249) 5.739 3.945 ( -1.295 0.000 -1.079) 1.686 3.953 ( -0.964 0.000 -4.232) 4.341 4.072 ( -4.462 0.000 5.925) 7.417 4.223 ( 4.962 0.000 -5.494) 7.403 4.272 ( -0.617 0.000 -7.962) 7.986 4.319 ( 4.571 0.000 10.821) 11.747 4.347 ( 1.211 0.000 5.900) 6.023 4.561 ( 0.758 0.000 2.296) 2.418 4.646 ( 6.554 0.000 -3.582) 7.469 4.660 ( -2.608 0.000 -1.748) 3.139 4.744 ( 2.336 0.000 2.168) 3.187 4.771 ( 6.651 0.000 -0.163) 6.653 4.852 ( 4.421 0.000 -5.874) 7.352 4.911 ( 2.158 0.000 1.019) 2.387 5.055 ( 0.608 0.000 4.394) 4.435 5.102 ( -2.958 0.000 -0.646) 3.028 5.216 ( -1.758 0.000 -6.530) 6.763 5.284 ( 5.464 0.000 2.538) 6.024 5.416 ( -11.148 0.000 -2.616) 11.451 5.475 ( -13.044 0.000 6.494) 14.571 5.552 ( -1.934 0.000 4.408) 4.814 5.681 ( -9.026 0.000 -3.448) 9.662 5.691 ( -5.838 0.000 -8.152) 10.027 5.836 ( -4.690 0.000 -2.098) 5.138 5.927 ( 0.823 0.000 -1.367) 1.595 5.934 ( 1.577 0.000 1.451) 2.143 6.140 ( -9.756 0.000 0.235) 9.759 6.161 ( -6.545 0.000 0.922) 6.610 6.198 ( -4.147 0.000 -1.109) 4.293 6.218 ( -6.150 0.000 4.180) 7.436 6.332 ( -1.531 0.000 1.298) 2.007 6.391 ( 1.262 0.000 -2.399) 2.710 6.533 ( -6.432 0.000 -0.323) 6.440 6.552 ( -0.330 0.000 0.110) 0.348 6.660 ( -2.055 0.000 1.193) 2.376 6.703 ( -4.807 0.000 1.508) 5.038 6.834 ( 1.408 0.000 4.229) 4.458 6.838 ( 6.028 0.000 0.540) 6.052 7.007 ( 0.860 0.000 5.637) 5.702 7.038 ( 2.515 0.000 -0.142) 2.519 7.097 ( 3.111 0.000 -0.264) 3.122 7.206 ( 3.185 0.000 -0.061) 3.186 7.235 ( -4.277 0.000 -7.942) 9.020 7.380 ( -4.818 0.000 -0.229) 4.824 7.504 ( 6.760 0.000 7.410) 10.030 7.549 ( 0.516 0.000 -3.140) 3.182 7.774 ( -1.496 0.000 3.664) 3.958 7.823 ( -0.228 0.000 -2.993) 3.001 7.881 ( -8.465 0.000 9.506) 12.729 7.947 ( -2.934 0.000 -11.692) 12.055 8.313 ( -9.710 0.000 3.005) 10.164 8.384 ( 2.144 0.000 -1.953) 2.901 8.399 ( 5.002 0.000 2.275) 5.495 8.544 ( 3.668 0.000 0.603) 3.718 8.581 ( 7.242 0.000 3.163) 7.902 8.642 ( -0.816 0.000 -3.556) 3.649 8.735 ( -4.390 0.000 -9.060) 10.068 8.779 ( -3.050 0.000 -0.530) 3.095 8.817 ( 2.064 0.000 1.962) 2.848 8.868 ( 1.675 0.000 -3.839) 4.188 8.911 ( 0.156 0.000 2.337) 2.342 8.920 ( 0.708 0.000 1.448) 1.612 9.034 ( -2.304 0.000 5.720) 6.167 9.128 ( 3.227 0.000 0.969) 3.369 9.157 ( 4.273 0.000 -2.807) 5.112 9.288 ( 1.433 0.000 -0.400) 1.487 9.393 ( 4.016 0.000 -1.596) 4.321 9.462 ( 3.641 0.000 2.950) 4.686 9.591 ( -3.265 0.000 11.279) 11.743 9.594 ( -3.102 0.000 1.075) 3.283 9.753 ( 1.249 0.000 -5.744) 5.878 9.861 ( 4.661 0.000 1.800) 4.997 10.162 ( -10.257 0.000 4.412) 11.166 10.264 ( -5.943 0.000 -3.227) 6.763 10.372 ( -7.286 0.000 6.271) 9.613 10.467 ( -10.083 0.000 -1.117) 10.145 10.472 ( -8.074 0.000 3.019) 8.620 10.567 ( -1.260 0.000 -6.386) 6.510 10.587 ( -2.360 0.000 1.834) 2.989 10.751 ( -4.969 0.000 -1.259) 5.126 10.843 ( 7.874 0.000 -4.517) 9.077 10.994 ( -2.584 0.000 10.844) 11.147 11.119 ( 2.151 0.000 -8.959) 9.214 11.206 ( 9.507 0.000 -6.603) 11.575 11.304 ( 2.826 0.000 2.667) 3.885 11.509 ( 3.989 0.000 -6.839) 7.917 11.557 ( 1.633 0.000 3.720) 4.063 11.642 ( 9.600 0.000 3.886) 10.357 11.696 ( -3.926 0.000 1.607) 4.242 11.808 ( 8.081 0.000 -5.702) 9.890 11.847 ( 16.782 0.000 2.831) 17.019 11.939 ( 3.330 0.000 1.076) 3.500 12.085 ( 1.556 0.000 -6.812) 6.988 12.091 ( 5.574 0.000 3.218) 6.436 12.144 ( 7.971 0.000 -3.903) 8.876 12.160 ( 4.754 0.000 3.345) 5.813 12.892 ( 13.798 0.000 5.364) 14.804 12.997 ( -6.133 0.000 -4.512) 7.614 13.013 ( 9.436 0.000 -15.266) 17.946 13.072 ( 1.218 0.000 -5.905) 6.029 13.105 ( -2.946 0.000 2.404) 3.802 13.192 ( 4.204 0.000 5.834) 7.190 13.246 ( -0.536 0.000 -4.172) 4.207 13.415 ( 12.792 0.000 4.800) 13.663 13.738 ( 8.174 0.000 -1.873) 8.386 13.881 ( 7.355 0.000 -0.055) 7.355 14.266 ( -5.328 0.000 -1.233) 5.469 14.335 ( -0.389 0.000 3.943) 3.963 14.591 ( -3.054 0.000 3.401) 4.571 14.609 ( -2.574 0.000 -0.582) 2.639 15.057 ( -4.090 0.000 5.242) 6.649 15.185 ( 0.704 0.000 -2.754) 2.842 15.283 ( -10.179 0.000 0.924) 10.220 15.465 ( 0.564 0.000 0.892) 1.056 16.184 ( -6.939 0.000 5.005) 8.556 16.236 ( -5.088 0.000 -5.466) 7.468 16.391 ( -6.087 0.000 -2.717) 6.666 16.415 ( -4.061 0.000 2.394) 4.714 19.971 ( 1.074 0.000 -0.379) 1.139 20.015 ( 3.143 0.000 -0.299) 3.157 20.193 ( 5.873 0.000 1.879) 6.167 20.212 ( 8.524 0.000 0.365) 8.532 20.821 ( -2.664 0.000 2.213) 3.463 20.880 ( -0.373 0.000 -1.531) 1.575 20.969 ( 2.769 0.000 -0.357) 2.792 20.997 ( 4.133 0.000 0.726) 4.196 21.162 ( -0.710 0.000 4.144) 4.204 21.267 ( 3.076 0.000 -2.320) 3.853 21.595 ( -0.553 0.000 2.097) 2.168 21.630 ( 0.174 0.000 -2.434) 2.441 21.875 ( -0.761 0.000 -0.119) 0.770 21.972 ( 3.472 0.000 0.996) 3.612 22.628 ( -6.165 0.000 -3.936) 7.314 22.679 ( 0.347 0.000 1.979) 2.009 22.752 ( 0.918 0.000 -5.865) 5.937 22.893 ( -0.934 0.000 1.035) 1.395 22.974 ( 3.256 0.000 0.513) 3.296 22.987 ( -2.966 0.000 1.864) 3.503 23.573 ( -8.720 0.000 10.588) 13.716 23.648 ( -6.395 0.000 -9.890) 11.777 24.578 ( -17.420 0.000 -8.212) 19.259 24.611 ( -20.132 0.000 6.731) 21.228 25.713 ( 1.839 0.000 -0.225) 1.853 25.722 ( 2.678 0.000 -0.141) 2.682 25.827 ( 6.286 0.000 4.009) 7.456 25.829 ( 9.130 0.000 -3.117) 9.648 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 18.025 0.000 -12.636) 22.013 1.545 ( 17.055 0.000 15.363) 22.955 1.765 ( 18.561 0.000 -20.161) 27.404 1.925 ( 16.382 0.000 19.156) 25.205 2.342 ( 2.041 0.000 0.951) 2.252 2.370 ( 17.030 0.000 -2.384) 17.196 2.438 ( 2.917 0.000 3.267) 4.380 2.439 ( -2.691 0.000 1.171) 2.935 2.473 ( -1.422 0.000 -2.115) 2.549 2.556 ( -1.993 0.000 3.040) 3.635 2.614 ( -3.547 0.000 1.984) 4.064 2.660 ( -1.770 0.000 1.341) 2.221 2.682 ( 2.927 0.000 -1.444) 3.264 2.728 ( 5.769 0.000 -0.653) 5.806 2.757 ( 3.415 0.000 0.607) 3.468 2.873 ( 1.811 0.000 3.009) 3.512 2.896 ( -9.782 0.000 1.275) 9.865 2.977 ( 2.485 0.000 -0.215) 2.494 2.998 ( 3.846 0.000 -1.736) 4.219 3.066 ( -1.192 0.000 0.375) 1.250 3.240 ( 4.848 0.000 -2.264) 5.351 3.302 ( 4.263 0.000 -5.902) 7.281 3.324 ( -4.334 0.000 -0.755) 4.399 3.335 ( 2.810 0.000 -1.201) 3.056 3.370 ( -2.059 0.000 1.941) 2.829 3.392 ( 6.634 0.000 -8.176) 10.529 3.471 ( 6.335 0.000 10.607) 12.355 3.533 ( 3.390 0.000 -5.736) 6.663 3.589 ( -6.074 0.000 1.230) 6.198 3.687 ( 0.258 0.000 -2.472) 2.485 3.690 ( 8.640 0.000 3.343) 9.264 3.712 ( 3.902 0.000 -4.845) 6.221 3.799 ( -7.149 0.000 -0.503) 7.167 3.806 ( 2.982 0.000 9.339) 9.804 3.934 ( 7.301 0.000 -2.666) 7.773 4.022 ( 3.511 0.000 -0.729) 3.586 4.052 ( -0.766 0.000 3.515) 3.598 4.289 ( 7.856 0.000 -4.875) 9.245 4.316 ( 6.746 0.000 -5.033) 8.417 4.445 ( 1.481 0.000 -1.601) 2.181 4.471 ( 0.718 0.000 16.959) 16.974 4.512 ( -6.644 0.000 1.173) 6.747 4.588 ( 0.991 0.000 -0.115) 0.998 4.722 ( 0.755 0.000 -4.691) 4.752 4.786 ( 2.313 0.000 -1.228) 2.619 4.797 ( -1.764 0.000 -3.612) 4.020 4.851 ( -15.489 0.000 -6.451) 16.778 4.986 ( 6.755 0.000 5.794) 8.900 5.013 ( 4.870 0.000 -0.730) 4.925 5.128 ( 6.866 0.000 -0.374) 6.877 5.171 ( -12.592 0.000 9.310) 15.659 5.224 ( 2.587 0.000 -1.281) 2.887 5.373 ( -3.772 0.000 1.879) 4.214 5.394 ( 1.704 0.000 0.556) 1.792 5.491 ( -7.914 0.000 -6.282) 10.104 5.521 ( -0.025 0.000 -0.385) 0.386 5.553 ( -1.269 0.000 -2.092) 2.447 5.707 ( -8.474 0.000 -0.040) 8.474 5.868 ( -5.995 0.000 -3.873) 7.137 5.928 ( -2.043 0.000 0.496) 2.102 5.938 ( -10.807 0.000 1.170) 10.870 6.034 ( -8.715 0.000 2.163) 8.979 6.051 ( -9.881 0.000 -1.713) 10.028 6.164 ( -0.076 0.000 -1.713) 1.715 6.252 ( -7.965 0.000 3.394) 8.658 6.262 ( -10.509 0.000 -1.240) 10.582 6.459 ( 0.827 0.000 1.191) 1.451 6.528 ( -2.017 0.000 -0.068) 2.018 6.692 ( 3.338 0.000 -2.102) 3.945 6.816 ( 8.953 0.000 -0.526) 8.969 6.857 ( -0.142 0.000 -0.240) 0.279 6.909 ( -0.101 0.000 2.502) 2.504 7.008 ( -2.986 0.000 1.925) 3.553 7.091 ( 3.818 0.000 3.973) 5.510 7.124 ( 0.740 0.000 -3.588) 3.664 7.249 ( 1.527 0.000 0.522) 1.614 7.252 ( 7.278 0.000 1.640) 7.461 7.334 ( -0.466 0.000 1.825) 1.884 7.486 ( -3.509 0.000 -3.039) 4.642 7.633 ( 0.959 0.000 8.057) 8.113 7.740 ( -11.325 0.000 7.979) 13.854 7.748 ( -3.300 0.000 1.398) 3.584 7.796 ( 0.079 0.000 -5.017) 5.018 7.832 ( -1.751 0.000 -9.910) 10.063 8.198 ( -5.896 0.000 6.561) 8.821 8.393 ( 0.756 0.000 -6.277) 6.322 8.481 ( 0.066 0.000 -3.158) 3.159 8.548 ( -5.867 0.000 -0.497) 5.888 8.595 ( 1.567 0.000 -2.342) 2.818 8.623 ( 2.561 0.000 1.242) 2.846 8.704 ( -1.276 0.000 1.180) 1.738 8.778 ( 7.208 0.000 -3.504) 8.015 8.857 ( 1.147 0.000 -4.549) 4.691 8.864 ( -0.786 0.000 2.803) 2.911 8.980 ( 3.023 0.000 9.128) 9.615 8.989 ( 7.148 0.000 4.561) 8.479 9.070 ( 0.546 0.000 3.929) 3.966 9.213 ( 4.121 0.000 -5.921) 7.214 9.258 ( -1.832 0.000 -0.307) 1.858 9.263 ( 7.871 0.000 3.203) 8.498 9.497 ( -1.346 0.000 3.195) 3.466 9.511 ( 3.654 0.000 -2.434) 4.390 9.537 ( 1.714 0.000 0.288) 1.738 9.601 ( -4.197 0.000 10.040) 10.882 9.780 ( 4.180 0.000 -2.067) 4.663 9.926 ( 1.383 0.000 -0.286) 1.413 10.083 ( -4.115 0.000 8.225) 9.197 10.122 ( -3.230 0.000 -9.916) 10.429 10.204 ( -11.053 0.000 -1.353) 11.136 10.316 ( -6.808 0.000 4.173) 7.986 10.326 ( -7.005 0.000 -3.186) 7.695 10.459 ( -6.222 0.000 -4.032) 7.414 10.572 ( -3.222 0.000 4.554) 5.579 10.668 ( -3.653 0.000 1.313) 3.882 10.900 ( 2.010 0.000 -8.406) 8.643 11.011 ( -2.996 0.000 -13.981) 14.298 11.068 ( 0.023 0.000 17.882) 17.882 11.266 ( 1.216 0.000 1.357) 1.822 11.447 ( 7.871 0.000 -1.650) 8.042 11.594 ( -0.562 0.000 0.835) 1.007 11.609 ( 10.034 0.000 -0.189) 10.036 11.740 ( 4.420 0.000 -2.785) 5.224 11.765 ( 9.114 0.000 6.139) 10.989 11.992 ( 10.676 0.000 -2.202) 10.901 12.034 ( 5.520 0.000 2.354) 6.001 12.082 ( 4.437 0.000 -9.195) 10.209 12.142 ( 7.608 0.000 -0.834) 7.653 12.182 ( -2.240 0.000 2.914) 3.676 12.268 ( 13.460 0.000 4.561) 14.212 12.277 ( 8.159 0.000 -1.852) 8.367 12.852 ( -5.417 0.000 -7.454) 9.215 12.957 ( -5.528 0.000 -8.548) 10.180 13.019 ( -0.394 0.000 -2.209) 2.243 13.047 ( 0.778 0.000 -12.786) 12.809 13.122 ( 1.822 0.000 5.886) 6.161 13.230 ( 4.795 0.000 -5.062) 6.972 13.509 ( 15.933 0.000 14.179) 21.328 13.663 ( 9.883 0.000 4.034) 10.674 13.958 ( 17.869 0.000 -9.132) 20.067 13.981 ( 5.271 0.000 -2.679) 5.913 14.176 ( -5.449 0.000 5.164) 7.508 14.353 ( -0.283 0.000 3.335) 3.347 14.537 ( -4.118 0.000 -2.111) 4.628 14.549 ( -4.138 0.000 4.123) 5.841 15.026 ( -4.269 0.000 7.949) 9.023 15.112 ( -9.276 0.000 4.409) 10.271 15.165 ( -0.957 0.000 -2.228) 2.425 15.442 ( -2.502 0.000 -2.469) 3.515 16.055 ( -10.097 0.000 4.720) 11.146 16.087 ( -5.880 0.000 -6.510) 8.772 16.257 ( -5.605 0.000 -2.037) 5.964 16.338 ( -5.354 0.000 1.685) 5.613 20.004 ( 2.486 0.000 -0.111) 2.489 20.065 ( 2.502 0.000 -0.936) 2.672 20.353 ( 6.663 0.000 7.992) 10.405 20.394 ( 10.950 0.000 -1.062) 11.001 20.798 ( -1.314 0.000 2.645) 2.954 20.883 ( 1.906 0.000 -1.222) 2.264 21.020 ( 2.672 0.000 0.200) 2.679 21.083 ( 4.792 0.000 0.042) 4.792 21.178 ( -0.795 0.000 3.539) 3.627 21.286 ( 0.299 0.000 -2.508) 2.526 21.596 ( -1.886 0.000 -2.032) 2.772 21.607 ( 0.121 0.000 2.967) 2.969 21.931 ( 7.489 0.000 -0.727) 7.524 22.034 ( 3.549 0.000 -2.572) 4.383 22.499 ( -6.667 0.000 0.201) 6.670 22.660 ( -5.880 0.000 -3.644) 6.918 22.736 ( -7.459 0.000 0.999) 7.526 22.748 ( 2.801 0.000 -6.224) 6.825 22.916 ( -5.294 0.000 2.373) 5.802 23.161 ( 9.543 0.000 3.022) 10.010 23.458 ( -10.208 0.000 9.667) 14.059 23.467 ( -4.335 0.000 -11.040) 11.860 24.173 ( -15.727 0.000 -14.688) 21.519 24.284 ( -21.282 0.000 10.073) 23.545 25.755 ( 2.623 0.000 -0.210) 2.632 25.773 ( 2.673 0.000 -0.185) 2.680 25.945 ( 2.403 0.000 5.735) 6.218 25.954 ( 7.069 0.000 -4.301) 8.274 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 23.512 0.000 -2.512) 23.646 1.953 ( 18.175 0.000 6.400) 19.269 2.016 ( 14.574 0.000 -7.911) 16.582 2.174 ( -11.777 0.000 1.271) 11.845 2.252 ( -14.736 0.000 1.420) 14.804 2.302 ( 9.253 0.000 7.233) 11.745 2.395 ( -3.883 0.000 -0.009) 3.883 2.413 ( -4.025 0.000 2.714) 4.854 2.424 ( -7.573 0.000 2.995) 8.144 2.604 ( 0.578 0.000 -3.469) 3.517 2.663 ( 4.887 0.000 3.168) 5.824 2.672 ( 1.501 0.000 4.424) 4.672 2.748 ( 4.174 0.000 -1.327) 4.380 2.819 ( 2.744 0.000 2.567) 3.758 2.834 ( 3.573 0.000 -2.551) 4.390 2.886 ( -0.435 0.000 -4.472) 4.493 2.916 ( 4.775 0.000 4.990) 6.906 2.991 ( 2.985 0.000 1.243) 3.233 3.027 ( 0.083 0.000 -0.692) 0.697 3.151 ( 2.033 0.000 -0.819) 2.192 3.208 ( -5.316 0.000 -0.895) 5.391 3.239 ( -0.001 0.000 5.868) 5.868 3.301 ( -3.985 0.000 -1.390) 4.221 3.353 ( -0.012 0.000 -1.147) 1.147 3.378 ( -2.100 0.000 -1.965) 2.876 3.387 ( 6.861 0.000 -4.767) 8.355 3.487 ( -2.219 0.000 0.120) 2.222 3.552 ( -0.677 0.000 -2.996) 3.072 3.626 ( 0.722 0.000 7.159) 7.195 3.663 ( -0.855 0.000 -5.800) 5.863 3.761 ( 7.297 0.000 4.485) 8.565 3.790 ( 2.074 0.000 -2.330) 3.120 3.856 ( 11.086 0.000 -7.071) 13.149 3.972 ( 6.652 0.000 2.305) 7.040 4.023 ( -3.611 0.000 0.851) 3.710 4.112 ( 4.488 0.000 4.044) 6.042 4.116 ( 11.550 0.000 -9.457) 14.927 4.204 ( -9.438 0.000 -6.787) 11.625 4.280 ( -30.196 0.000 2.230) 30.278 4.350 ( 3.186 0.000 -9.461) 9.984 4.476 ( 5.240 0.000 2.862) 5.971 4.545 ( 0.824 0.000 15.843) 15.865 4.565 ( -2.448 0.000 9.538) 9.848 4.680 ( 4.960 0.000 0.550) 4.991 4.773 ( 6.597 0.000 -6.589) 9.324 4.812 ( 1.230 0.000 -2.759) 3.021 4.856 ( 2.345 0.000 -0.791) 2.475 4.956 ( 2.644 0.000 -1.848) 3.225 5.054 ( -9.780 0.000 3.265) 10.310 5.138 ( -4.886 0.000 -0.680) 4.933 5.211 ( 2.581 0.000 8.827) 9.196 5.280 ( 5.090 0.000 -4.058) 6.510 5.300 ( -7.098 0.000 -5.332) 8.878 5.324 ( 5.713 0.000 -0.608) 5.745 5.486 ( 5.802 0.000 1.182) 5.921 5.529 ( -4.205 0.000 2.681) 4.987 5.615 ( -0.885 0.000 -1.405) 1.661 5.615 ( 7.109 0.000 -0.787) 7.152 5.696 ( -8.282 0.000 -1.196) 8.368 5.815 ( -3.061 0.000 1.766) 3.534 5.827 ( -5.110 0.000 -3.369) 6.120 5.913 ( -6.111 0.000 1.496) 6.292 5.972 ( -0.250 0.000 -1.080) 1.109 6.073 ( -8.389 0.000 -0.338) 8.396 6.090 ( -4.800 0.000 2.262) 5.306 6.177 ( -1.131 0.000 -1.944) 2.249 6.502 ( -1.095 0.000 0.732) 1.317 6.516 ( 3.267 0.000 -1.249) 3.497 6.745 ( 3.150 0.000 -1.931) 3.695 6.784 ( -1.654 0.000 -3.247) 3.644 6.856 ( -2.526 0.000 -0.477) 2.571 6.889 ( -2.766 0.000 1.363) 3.084 7.115 ( 6.597 0.000 5.502) 8.590 7.139 ( -1.083 0.000 1.480) 1.834 7.146 ( 4.097 0.000 -1.409) 4.333 7.270 ( 0.619 0.000 -0.952) 1.136 7.353 ( 2.142 0.000 -0.762) 2.273 7.398 ( -4.392 0.000 -1.185) 4.549 7.414 ( 5.661 0.000 7.689) 9.548 7.604 ( -8.919 0.000 9.339) 12.914 7.645 ( -2.658 0.000 0.839) 2.787 7.686 ( -4.138 0.000 2.793) 4.993 7.775 ( 1.248 0.000 -6.234) 6.357 7.788 ( 3.114 0.000 -5.656) 6.457 8.179 ( -2.180 0.000 8.759) 9.026 8.341 ( -0.696 0.000 -6.631) 6.668 8.445 ( -4.172 0.000 -0.084) 4.172 8.460 ( 1.915 0.000 -4.914) 5.274 8.613 ( 2.027 0.000 -1.940) 2.805 8.665 ( 1.789 0.000 -0.342) 1.821 8.720 ( -0.148 0.000 -0.290) 0.325 8.740 ( -3.301 0.000 -6.011) 6.858 8.869 ( 1.276 0.000 2.373) 2.694 8.934 ( 2.712 0.000 -0.122) 2.715 9.078 ( -1.302 0.000 5.392) 5.547 9.120 ( 2.989 0.000 9.774) 10.220 9.178 ( 6.801 0.000 5.208) 8.566 9.233 ( 3.662 0.000 -5.422) 6.543 9.271 ( 3.978 0.000 -0.004) 3.978 9.338 ( -2.629 0.000 2.214) 3.437 9.447 ( -3.129 0.000 -2.442) 3.969 9.467 ( -3.307 0.000 -0.358) 3.327 9.626 ( 1.193 0.000 9.709) 9.782 9.685 ( 8.963 0.000 -1.015) 9.021 9.794 ( -3.749 0.000 3.686) 5.257 9.936 ( -5.095 0.000 1.037) 5.199 10.016 ( -3.263 0.000 -1.440) 3.566 10.025 ( -7.293 0.000 6.049) 9.475 10.108 ( 10.879 0.000 -14.290) 17.960 10.192 ( -5.453 0.000 -4.558) 7.107 10.243 ( -5.688 0.000 4.916) 7.519 10.328 ( -2.951 0.000 -6.219) 6.883 10.580 ( 1.072 0.000 5.915) 6.012 10.645 ( -0.559 0.000 4.780) 4.813 10.837 ( -1.968 0.000 -7.394) 7.652 10.871 ( -2.200 0.000 -13.706) 13.881 11.174 ( -4.019 0.000 21.339) 21.714 11.301 ( 0.900 0.000 5.425) 5.499 11.545 ( -2.992 0.000 -1.402) 3.304 11.555 ( 8.426 0.000 -8.667) 12.088 11.816 ( 7.746 0.000 2.691) 8.200 11.831 ( 8.276 0.000 -7.372) 11.083 11.993 ( 4.949 0.000 4.861) 6.937 12.045 ( 6.702 0.000 -2.783) 7.257 12.055 ( -5.743 0.000 2.483) 6.257 12.132 ( -2.299 0.000 3.167) 3.913 12.184 ( 5.549 0.000 -1.336) 5.707 12.259 ( 4.204 0.000 -0.108) 4.206 12.404 ( 5.807 0.000 0.559) 5.833 12.502 ( 7.580 0.000 2.688) 8.042 12.687 ( -6.601 0.000 -10.798) 12.656 12.770 ( -5.345 0.000 -12.863) 13.929 12.969 ( -2.198 0.000 -2.646) 3.440 12.986 ( -0.404 0.000 -5.803) 5.817 13.191 ( 0.231 0.000 6.349) 6.353 13.294 ( 5.140 0.000 -5.727) 7.696 13.754 ( 3.307 0.000 8.496) 9.117 13.809 ( 4.102 0.000 0.383) 4.120 14.041 ( -0.219 0.000 3.673) 3.680 14.155 ( -0.937 0.000 7.100) 7.162 14.191 ( 11.929 0.000 -8.791) 14.818 14.334 ( -1.298 0.000 -5.706) 5.852 14.486 ( 1.547 0.000 -0.972) 1.826 14.495 ( -4.857 0.000 4.117) 6.367 15.005 ( -4.787 0.000 15.447) 16.172 15.048 ( -2.193 0.000 5.436) 5.861 15.137 ( -0.028 0.000 -2.512) 2.513 15.354 ( -2.733 0.000 -8.130) 8.577 15.914 ( -7.702 0.000 4.337) 8.839 15.980 ( -0.378 0.000 -6.497) 6.508 16.199 ( 0.090 0.000 0.447) 0.456 16.260 ( -3.471 0.000 0.146) 3.474 20.047 ( 1.860 0.000 0.371) 1.897 20.086 ( 0.483 0.000 -1.349) 1.433 20.484 ( 0.923 0.000 8.763) 8.812 20.561 ( 7.672 0.000 -2.289) 8.006 20.821 ( 2.220 0.000 2.860) 3.620 20.908 ( 0.257 0.000 -1.034) 1.066 21.071 ( 2.592 0.000 1.790) 3.150 21.139 ( -1.180 0.000 2.949) 3.176 21.192 ( 3.347 0.000 -2.521) 4.190 21.251 ( -1.744 0.000 -2.996) 3.467 21.575 ( 0.916 0.000 0.771) 1.197 21.628 ( -0.780 0.000 3.224) 3.317 22.054 ( 1.158 0.000 -3.971) 4.136 22.094 ( 8.797 0.000 -2.993) 9.292 22.380 ( -7.682 0.000 3.099) 8.283 22.432 ( -9.260 0.000 -4.619) 10.349 22.695 ( -1.427 0.000 0.991) 1.737 22.749 ( 0.764 0.000 -5.167) 5.223 22.907 ( 3.185 0.000 6.067) 6.852 23.235 ( -3.638 0.000 -5.358) 6.476 23.352 ( -7.305 0.000 7.366) 10.374 23.398 ( 3.756 0.000 -6.830) 7.795 23.952 ( 3.494 0.000 -10.256) 10.835 23.981 ( -18.770 0.000 9.344) 20.967 25.794 ( 1.550 0.000 -0.123) 1.555 25.805 ( 0.870 0.000 -0.333) 0.932 25.984 ( -1.731 0.000 4.893) 5.190 26.032 ( 4.735 0.000 -4.051) 6.231 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -27.227 0.000 3.873) 27.501 1.813 ( -24.480 0.000 8.051) 25.770 2.123 ( -11.311 0.000 -8.003) 13.856 2.246 ( 15.415 0.000 -2.952) 15.695 2.262 ( 9.794 0.000 0.828) 9.829 2.332 ( 4.766 0.000 -1.109) 4.893 2.428 ( 13.935 0.000 -1.441) 14.010 2.443 ( 5.000 0.000 1.554) 5.236 2.517 ( 1.551 0.000 4.354) 4.622 2.525 ( -5.245 0.000 -6.125) 8.064 2.689 ( -1.365 0.000 3.955) 4.184 2.735 ( -6.465 0.000 -2.979) 7.118 2.784 ( -0.071 0.000 -5.440) 5.440 2.789 ( 5.958 0.000 5.275) 7.958 2.797 ( -5.737 0.000 -0.453) 5.754 2.895 ( -2.025 0.000 -4.674) 5.094 2.992 ( -0.892 0.000 -1.307) 1.582 3.010 ( -1.239 0.000 -0.127) 1.245 3.027 ( 0.690 0.000 7.057) 7.090 3.043 ( -7.779 0.000 -5.720) 9.656 3.151 ( -8.690 0.000 9.560) 12.920 3.258 ( 1.881 0.000 -3.029) 3.566 3.282 ( -0.441 0.000 5.430) 5.448 3.332 ( -1.034 0.000 0.840) 1.332 3.408 ( -4.844 0.000 -1.235) 4.999 3.455 ( -0.861 0.000 -7.679) 7.727 3.481 ( 5.207 0.000 2.753) 5.890 3.498 ( 3.468 0.000 -4.329) 5.547 3.594 ( -2.464 0.000 2.863) 3.778 3.622 ( -2.425 0.000 1.995) 3.140 3.715 ( -11.927 0.000 6.304) 13.490 3.839 ( -4.060 0.000 -4.536) 6.088 3.893 ( -7.327 0.000 -6.009) 9.476 3.948 ( -2.657 0.000 4.657) 5.362 3.960 ( 6.904 0.000 4.327) 8.147 4.090 ( 8.032 0.000 -1.016) 8.096 4.090 ( 3.763 0.000 -2.967) 4.792 4.220 ( -0.972 0.000 3.999) 4.115 4.250 ( -6.262 0.000 -6.216) 8.824 4.372 ( 15.639 0.000 -6.335) 16.874 4.465 ( -8.922 0.000 3.117) 9.451 4.589 ( 3.497 0.000 5.398) 6.432 4.673 ( 1.559 0.000 8.543) 8.684 4.715 ( -6.811 0.000 -0.126) 6.813 4.739 ( -4.899 0.000 -1.563) 5.142 4.762 ( -0.400 0.000 -4.583) 4.601 4.877 ( 0.565 0.000 -0.830) 1.004 5.051 ( -1.035 0.000 -14.589) 14.626 5.055 ( 15.090 0.000 2.038) 15.227 5.116 ( 6.156 0.000 2.392) 6.604 5.206 ( -0.475 0.000 1.523) 1.595 5.223 ( -4.861 0.000 2.624) 5.524 5.371 ( 7.657 0.000 -4.162) 8.715 5.383 ( -0.732 0.000 -7.783) 7.817 5.488 ( -2.755 0.000 1.324) 3.057 5.536 ( -1.743 0.000 1.253) 2.147 5.573 ( -0.232 0.000 5.154) 5.159 5.591 ( -0.811 0.000 1.527) 1.729 5.680 ( -7.648 0.000 -2.699) 8.111 5.760 ( 7.247 0.000 3.389) 8.000 5.878 ( 3.875 0.000 -3.268) 5.070 5.921 ( 10.977 0.000 0.768) 11.004 5.961 ( -1.049 0.000 -0.502) 1.163 6.052 ( 7.418 0.000 1.561) 7.580 6.135 ( 5.626 0.000 2.765) 6.269 6.139 ( -0.578 0.000 -2.512) 2.578 6.484 ( -2.293 0.000 1.913) 2.986 6.519 ( -0.638 0.000 -1.311) 1.458 6.728 ( -4.009 0.000 -0.469) 4.036 6.766 ( 0.467 0.000 -1.256) 1.340 6.857 ( -0.482 0.000 -0.310) 0.573 6.881 ( 3.741 0.000 1.862) 4.179 7.096 ( -3.820 0.000 2.182) 4.399 7.163 ( 0.150 0.000 -0.184) 0.237 7.225 ( -4.423 0.000 -5.550) 7.097 7.251 ( 3.104 0.000 0.620) 3.165 7.329 ( -2.124 0.000 1.696) 2.718 7.384 ( 0.902 0.000 1.197) 1.499 7.527 ( -0.410 0.000 12.356) 12.363 7.568 ( -3.467 0.000 -6.601) 7.456 7.599 ( 4.489 0.000 3.689) 5.810 7.646 ( -3.950 0.000 6.840) 7.899 7.788 ( 4.771 0.000 -6.000) 7.665 7.817 ( 2.519 0.000 -4.137) 4.844 8.217 ( 0.331 0.000 7.817) 7.824 8.302 ( 0.498 0.000 -4.782) 4.808 8.405 ( -0.088 0.000 0.062) 0.108 8.494 ( 5.077 0.000 -3.975) 6.448 8.622 ( -1.167 0.000 -2.086) 2.391 8.639 ( -2.287 0.000 -5.286) 5.760 8.717 ( 2.753 0.000 0.525) 2.802 8.725 ( 3.011 0.000 -0.003) 3.011 8.907 ( -1.721 0.000 -2.616) 3.131 8.923 ( 0.109 0.000 3.634) 3.636 9.074 ( -3.155 0.000 5.272) 6.144 9.154 ( -3.395 0.000 3.375) 4.788 9.223 ( -3.443 0.000 -0.603) 3.495 9.251 ( -3.171 0.000 -6.104) 6.878 9.332 ( -0.036 0.000 -0.007) 0.036 9.339 ( 4.559 0.000 2.402) 5.153 9.373 ( -3.597 0.000 2.445) 4.350 9.448 ( 2.943 0.000 0.237) 2.953 9.634 ( -7.253 0.000 4.752) 8.671 9.746 ( -8.926 0.000 4.925) 10.194 9.850 ( 7.322 0.000 5.918) 9.414 9.859 ( 6.193 0.000 -2.265) 6.594 9.889 ( -5.513 0.000 -1.321) 5.669 10.065 ( -4.290 0.000 -3.747) 5.696 10.067 ( 0.076 0.000 8.053) 8.054 10.210 ( 6.990 0.000 -12.112) 13.984 10.246 ( 5.545 0.000 3.171) 6.388 10.338 ( 7.949 0.000 -4.492) 9.130 10.651 ( 1.385 0.000 8.355) 8.469 10.707 ( 2.401 0.000 5.718) 6.201 10.741 ( -3.255 0.000 -10.664) 11.150 10.777 ( 1.813 0.000 -8.867) 9.050 11.183 ( -8.121 0.000 17.127) 18.954 11.381 ( 3.262 0.000 6.731) 7.480 11.498 ( -0.782 0.000 -2.363) 2.489 11.638 ( 7.763 0.000 -12.904) 15.059 11.780 ( -6.870 0.000 -7.465) 10.145 11.855 ( -5.823 0.000 -0.872) 5.888 11.974 ( -3.863 0.000 0.179) 3.867 12.060 ( -4.872 0.000 -1.663) 5.148 12.063 ( 3.665 0.000 2.295) 4.324 12.187 ( -4.072 0.000 0.309) 4.084 12.232 ( 5.707 0.000 2.831) 6.370 12.254 ( -5.009 0.000 -3.012) 5.845 12.463 ( -1.409 0.000 3.420) 3.699 12.473 ( -9.640 0.000 -7.309) 12.097 12.620 ( 6.051 0.000 2.346) 6.490 12.654 ( 1.054 0.000 -7.151) 7.228 12.929 ( -1.496 0.000 0.301) 1.526 12.965 ( 1.508 0.000 -3.411) 3.729 13.195 ( -3.562 0.000 5.021) 6.157 13.325 ( 2.473 0.000 -7.419) 7.821 13.761 ( -6.521 0.000 7.524) 9.956 13.795 ( -5.803 0.000 1.335) 5.954 14.024 ( -9.641 0.000 5.937) 11.323 14.202 ( 0.628 0.000 -12.252) 12.268 14.215 ( 5.784 0.000 5.725) 8.138 14.331 ( 2.958 0.000 -8.721) 9.209 14.447 ( -2.055 0.000 2.922) 3.573 14.549 ( 4.595 0.000 -1.514) 4.838 15.054 ( -0.828 0.000 7.751) 7.795 15.111 ( 3.705 0.000 16.143) 16.562 15.137 ( 2.120 0.000 -3.809) 4.359 15.266 ( 0.404 0.000 -10.835) 10.842 15.867 ( -0.259 0.000 4.975) 4.982 16.005 ( 7.131 0.000 -5.174) 8.811 16.223 ( -0.034 0.000 -1.618) 1.618 16.252 ( 4.611 0.000 0.882) 4.695 20.064 ( -1.843 0.000 -1.388) 2.307 20.067 ( -0.241 0.000 0.740) 0.778 20.492 ( -5.124 0.000 5.125) 7.247 20.629 ( 2.780 0.000 -4.975) 5.700 20.871 ( -1.939 0.000 -2.372) 3.064 20.894 ( 2.809 0.000 0.536) 2.860 21.102 ( -3.609 0.000 0.443) 3.636 21.123 ( -0.399 0.000 3.794) 3.815 21.203 ( 0.097 0.000 -3.742) 3.743 21.233 ( 2.304 0.000 -3.362) 4.076 21.595 ( -3.249 0.000 -0.652) 3.313 21.631 ( 2.881 0.000 2.039) 3.529 22.026 ( -5.475 0.000 3.507) 6.501 22.055 ( -7.165 0.000 -2.787) 7.688 22.322 ( 1.675 0.000 5.634) 5.878 22.443 ( 9.191 0.000 -3.280) 9.759 22.686 ( -0.114 0.000 1.270) 1.275 22.741 ( 1.854 0.000 -3.282) 3.770 23.054 ( -7.314 0.000 -7.962) 10.811 23.063 ( 5.588 0.000 10.087) 11.532 23.296 ( -3.441 0.000 4.978) 6.052 23.470 ( 8.024 0.000 -5.399) 9.671 23.759 ( -10.657 0.000 10.141) 14.711 24.120 ( 17.091 0.000 -5.714) 18.021 25.797 ( -1.415 0.000 -0.407) 1.472 25.802 ( -0.646 0.000 -0.091) 0.653 25.956 ( -4.351 0.000 4.023) 5.926 26.074 ( 2.766 0.000 -4.409) 5.205 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -28.192 0.000 6.939) 29.034 1.416 ( -25.814 0.000 16.117) 30.432 1.843 ( -9.455 0.000 -16.074) 18.648 2.194 ( -12.580 0.000 -2.117) 12.757 2.321 ( -19.140 0.000 -4.323) 19.622 2.402 ( 2.974 0.000 -2.211) 3.706 2.429 ( -12.545 0.000 3.789) 13.104 2.442 ( -7.245 0.000 2.634) 7.709 2.489 ( 3.169 0.000 -3.644) 4.829 2.629 ( 9.512 0.000 -3.308) 10.070 2.638 ( 5.545 0.000 -1.173) 5.667 2.647 ( -7.284 0.000 -0.233) 7.288 2.683 ( -2.376 0.000 1.309) 2.713 2.749 ( 0.740 0.000 -4.501) 4.562 2.777 ( -5.354 0.000 0.727) 5.403 2.891 ( -10.079 0.000 3.469) 10.659 2.901 ( 1.126 0.000 1.540) 1.907 2.948 ( 3.593 0.000 -4.387) 5.671 2.965 ( -2.711 0.000 2.637) 3.782 3.083 ( 2.903 0.000 0.656) 2.976 3.093 ( 2.815 0.000 7.285) 7.810 3.221 ( -4.999 0.000 -2.445) 5.565 3.299 ( -2.491 0.000 2.582) 3.588 3.332 ( 5.633 0.000 -1.128) 5.744 3.390 ( -3.702 0.000 -1.730) 4.087 3.446 ( 0.987 0.000 -6.835) 6.906 3.455 ( -3.737 0.000 2.725) 4.625 3.541 ( -3.064 0.000 3.950) 4.999 3.587 ( -5.692 0.000 6.339) 8.520 3.610 ( 6.093 0.000 -1.278) 6.226 3.672 ( 6.114 0.000 0.275) 6.120 3.750 ( -4.041 0.000 -4.814) 6.285 3.835 ( 4.065 0.000 -2.554) 4.801 3.957 ( -15.930 0.000 -3.387) 16.286 3.962 ( -2.398 0.000 -7.366) 7.746 3.998 ( 0.606 0.000 3.311) 3.366 4.169 ( -0.004 0.000 -4.713) 4.713 4.186 ( 1.420 0.000 2.443) 2.826 4.213 ( -0.888 0.000 3.841) 3.942 4.373 ( -1.982 0.000 4.025) 4.486 4.552 ( 2.793 0.000 -0.077) 2.794 4.611 ( 0.703 0.000 7.164) 7.198 4.645 ( -1.923 0.000 -5.728) 6.043 4.682 ( -1.933 0.000 0.267) 1.951 4.763 ( 9.987 0.000 2.854) 10.387 4.772 ( 0.316 0.000 -1.212) 1.252 4.861 ( -6.027 0.000 -13.907) 15.157 4.955 ( 1.055 0.000 2.728) 2.925 5.071 ( -10.598 0.000 -1.993) 10.784 5.126 ( -3.615 0.000 1.275) 3.833 5.239 ( -0.559 0.000 -3.032) 3.083 5.320 ( 9.541 0.000 4.582) 10.584 5.367 ( 6.626 0.000 -10.380) 12.315 5.395 ( -5.591 0.000 4.010) 6.880 5.435 ( 1.178 0.000 -4.443) 4.596 5.519 ( 1.426 0.000 2.358) 2.756 5.574 ( 10.283 0.000 -5.599) 11.709 5.704 ( 7.919 0.000 1.410) 8.044 5.772 ( 8.386 0.000 6.211) 10.436 5.908 ( 6.009 0.000 3.109) 6.766 5.957 ( 5.914 0.000 -1.404) 6.078 6.011 ( 6.295 0.000 2.159) 6.654 6.064 ( 4.213 0.000 -1.106) 4.356 6.140 ( 2.625 0.000 0.647) 2.703 6.235 ( 9.622 0.000 1.573) 9.750 6.313 ( 10.501 0.000 -2.791) 10.866 6.460 ( 0.443 0.000 1.721) 1.777 6.524 ( 2.392 0.000 0.268) 2.407 6.646 ( -5.071 0.000 2.000) 5.451 6.768 ( -1.084 0.000 0.806) 1.351 6.844 ( -2.191 0.000 1.281) 2.538 6.920 ( -2.075 0.000 1.512) 2.567 7.061 ( -1.345 0.000 2.297) 2.662 7.070 ( -6.136 0.000 -5.083) 7.968 7.140 ( -1.740 0.000 -0.344) 1.774 7.266 ( -0.718 0.000 -0.263) 0.765 7.342 ( 1.994 0.000 0.940) 2.205 7.411 ( 0.195 0.000 3.931) 3.936 7.421 ( -6.008 0.000 -11.040) 12.569 7.627 ( 3.373 0.000 8.730) 9.359 7.654 ( -0.342 0.000 7.987) 7.995 7.718 ( 5.540 0.000 1.399) 5.714 7.795 ( -1.976 0.000 -4.323) 4.753 7.871 ( 8.039 0.000 -3.916) 8.942 8.283 ( 1.248 0.000 5.454) 5.595 8.308 ( 3.598 0.000 -3.761) 5.205 8.439 ( 4.038 0.000 -0.120) 4.040 8.563 ( 1.162 0.000 -1.101) 1.601 8.580 ( -3.548 0.000 2.938) 4.607 8.582 ( 0.327 0.000 -1.208) 1.252 8.755 ( 3.603 0.000 -4.683) 5.909 8.791 ( 3.199 0.000 -1.560) 3.559 8.843 ( -8.607 0.000 -4.299) 9.621 8.908 ( 1.487 0.000 -1.496) 2.109 9.034 ( -8.679 0.000 1.022) 8.739 9.035 ( -5.075 0.000 8.121) 9.576 9.159 ( -2.058 0.000 -4.388) 4.847 9.175 ( 0.219 0.000 -7.074) 7.077 9.261 ( -1.570 0.000 -0.780) 1.753 9.318 ( -8.893 0.000 -2.466) 9.229 9.424 ( -0.063 0.000 6.966) 6.966 9.497 ( 2.203 0.000 3.968) 4.539 9.513 ( -6.620 0.000 2.136) 6.956 9.629 ( -8.438 0.000 10.307) 13.320 9.814 ( 0.959 0.000 -8.224) 8.280 9.933 ( -1.200 0.000 0.166) 1.211 10.007 ( 10.119 0.000 0.880) 10.158 10.114 ( 9.544 0.000 2.644) 9.904 10.178 ( 5.859 0.000 8.640) 10.440 10.243 ( 3.843 0.000 -4.734) 6.098 10.433 ( 5.039 0.000 -7.318) 8.885 10.435 ( 11.393 0.000 1.822) 11.537 10.673 ( 3.322 0.000 -5.346) 6.294 10.707 ( -3.033 0.000 9.509) 9.981 10.778 ( 4.273 0.000 -10.629) 11.456 10.802 ( 4.074 0.000 7.834) 8.830 11.126 ( -8.664 0.000 13.255) 15.835 11.413 ( -4.242 0.000 -11.356) 12.123 11.480 ( 0.431 0.000 -4.241) 4.262 11.584 ( -0.210 0.000 -4.657) 4.662 11.685 ( -10.608 0.000 -2.937) 11.007 11.724 ( 3.274 0.000 -3.025) 4.458 11.766 ( -15.522 0.000 5.810) 16.574 12.012 ( -7.472 0.000 -4.133) 8.539 12.057 ( -7.914 0.000 0.301) 7.920 12.060 ( -4.578 0.000 -8.248) 9.433 12.093 ( -4.138 0.000 4.034) 5.778 12.253 ( -1.634 0.000 -4.278) 4.580 12.264 ( -10.341 0.000 -0.678) 10.363 12.379 ( -7.531 0.000 -4.560) 8.804 12.725 ( 6.325 0.000 4.935) 8.022 12.785 ( 5.705 0.000 8.479) 10.219 12.904 ( -1.791 0.000 2.974) 3.472 12.994 ( 3.043 0.000 -1.396) 3.348 13.156 ( -2.577 0.000 3.257) 4.153 13.279 ( -0.565 0.000 -10.179) 10.194 13.671 ( -8.822 0.000 0.016) 8.822 13.685 ( -6.065 0.000 6.240) 8.702 13.786 ( -17.489 0.000 3.857) 17.909 14.030 ( -11.461 0.000 -13.617) 17.798 14.315 ( 2.009 0.000 -7.213) 7.488 14.358 ( 3.958 0.000 2.026) 4.446 14.482 ( 4.017 0.000 3.306) 5.202 14.604 ( 2.674 0.000 -1.512) 3.072 15.092 ( -0.040 0.000 5.917) 5.918 15.154 ( 2.579 0.000 -4.866) 5.507 15.242 ( 4.230 0.000 -8.457) 9.456 15.323 ( 7.671 0.000 11.600) 13.907 15.964 ( 6.284 0.000 5.958) 8.660 16.141 ( 10.137 0.000 -4.350) 11.031 16.245 ( 3.746 0.000 -1.094) 3.902 16.356 ( 6.032 0.000 -0.179) 6.035 20.012 ( -2.630 0.000 -0.989) 2.810 20.050 ( -2.001 0.000 0.718) 2.126 20.377 ( -8.848 0.000 1.328) 8.947 20.575 ( -4.268 0.000 -14.210) 14.837 20.843 ( 0.596 0.000 -2.091) 2.175 20.872 ( -3.778 0.000 -1.594) 4.100 21.026 ( -3.760 0.000 -0.533) 3.798 21.080 ( -4.326 0.000 0.660) 4.377 21.222 ( 2.215 0.000 -1.796) 2.852 21.235 ( -1.155 0.000 1.892) 2.217 21.557 ( -0.724 0.000 1.829) 1.967 21.651 ( -1.083 0.000 -1.217) 1.629 21.917 ( -5.867 0.000 0.728) 5.912 21.964 ( -2.658 0.000 3.551) 4.436 22.532 ( 11.937 0.000 11.455) 16.544 22.547 ( 4.522 0.000 -3.982) 6.025 22.688 ( -1.203 0.000 0.189) 1.218 22.773 ( 3.913 0.000 -2.336) 4.557 22.974 ( 3.201 0.000 -3.244) 4.558 23.173 ( -2.116 0.000 5.565) 5.954 23.247 ( -3.132 0.000 7.948) 8.543 23.604 ( 10.289 0.000 -6.038) 11.930 23.845 ( 10.891 0.000 18.887) 21.802 24.418 ( 18.423 0.000 -4.807) 19.040 25.756 ( -2.611 0.000 -0.288) 2.627 25.771 ( -2.536 0.000 -0.076) 2.537 25.884 ( -6.019 0.000 3.226) 6.829 26.064 ( -0.647 0.000 -6.462) 6.494 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -11.515 0.000 22.135) 24.951 1.153 ( -16.493 0.000 25.933) 30.734 1.609 ( -1.990 0.000 -21.132) 21.225 1.715 ( -35.950 0.000 20.213) 41.243 1.960 ( -7.973 0.000 -21.847) 23.257 2.157 ( -15.373 0.000 -9.052) 17.840 2.437 ( 1.396 0.000 8.784) 8.894 2.467 ( -2.009 0.000 -1.965) 2.810 2.494 ( -3.972 0.000 -2.513) 4.700 2.537 ( 2.770 0.000 5.229) 5.918 2.652 ( -1.883 0.000 -2.335) 2.999 2.663 ( -2.272 0.000 -2.414) 3.315 2.710 ( 1.496 0.000 -2.652) 3.044 2.725 ( 2.815 0.000 -1.335) 3.116 2.768 ( 2.109 0.000 -2.744) 3.461 2.801 ( -1.608 0.000 8.955) 9.098 2.876 ( -2.568 0.000 2.487) 3.574 2.925 ( -1.131 0.000 -3.888) 4.049 3.021 ( -2.830 0.000 0.972) 2.992 3.090 ( -2.281 0.000 -1.020) 2.499 3.173 ( -1.446 0.000 3.536) 3.820 3.218 ( -2.426 0.000 1.014) 2.629 3.249 ( 8.241 0.000 -3.042) 8.785 3.295 ( 1.513 0.000 1.356) 2.032 3.337 ( -6.742 0.000 -2.341) 7.137 3.408 ( 1.850 0.000 -2.342) 2.984 3.508 ( 1.794 0.000 1.119) 2.114 3.514 ( 0.863 0.000 -2.916) 3.041 3.557 ( -1.621 0.000 4.185) 4.488 3.579 ( -8.590 0.000 -3.574) 9.304 3.744 ( 3.156 0.000 -2.694) 4.150 3.750 ( 4.140 0.000 -5.592) 6.958 3.776 ( 0.947 0.000 2.778) 2.935 3.908 ( 0.722 0.000 3.741) 3.810 3.913 ( 0.810 0.000 -3.122) 3.225 3.924 ( -8.413 0.000 -3.258) 9.022 4.139 ( 1.830 0.000 2.628) 3.203 4.140 ( -4.163 0.000 0.562) 4.201 4.214 ( 0.492 0.000 -5.985) 6.005 4.427 ( 5.237 0.000 -1.083) 5.348 4.518 ( -11.481 0.000 -6.082) 12.993 4.612 ( 0.136 0.000 -1.085) 1.094 4.620 ( -2.513 0.000 -1.137) 2.758 4.637 ( -0.726 0.000 -0.753) 1.046 4.694 ( -4.210 0.000 3.422) 5.425 4.780 ( 0.619 0.000 2.140) 2.227 4.845 ( -9.024 0.000 -3.687) 9.748 4.892 ( -2.147 0.000 -2.958) 3.655 4.951 ( 1.382 0.000 8.855) 8.962 5.115 ( 1.579 0.000 -1.424) 2.126 5.247 ( 0.394 0.000 -3.567) 3.588 5.299 ( -2.753 0.000 1.499) 3.135 5.357 ( 4.406 0.000 2.502) 5.066 5.518 ( 4.475 0.000 6.464) 7.862 5.566 ( 10.587 0.000 0.242) 10.590 5.674 ( 4.447 0.000 -6.413) 7.804 5.691 ( 13.031 0.000 -6.391) 14.514 5.824 ( 3.829 0.000 0.761) 3.904 5.921 ( 3.962 0.000 -0.066) 3.963 5.964 ( 0.782 0.000 -1.413) 1.615 6.080 ( 6.812 0.000 4.838) 8.355 6.159 ( 5.104 0.000 2.556) 5.708 6.197 ( 4.264 0.000 -0.501) 4.293 6.221 ( 9.861 0.000 2.753) 10.238 6.331 ( 1.361 0.000 3.316) 3.585 6.373 ( -1.799 0.000 -3.335) 3.789 6.571 ( 1.571 0.000 -0.956) 1.839 6.588 ( 9.378 0.000 -2.086) 9.607 6.642 ( -8.898 0.000 0.896) 8.943 6.669 ( 6.881 0.000 2.716) 7.398 6.812 ( -2.787 0.000 3.079) 4.153 6.833 ( -6.701 0.000 1.241) 6.815 7.016 ( -1.221 0.000 2.206) 2.522 7.090 ( 3.824 0.000 1.826) 4.238 7.110 ( -0.780 0.000 -2.894) 2.997 7.210 ( -6.424 0.000 0.351) 6.434 7.249 ( -3.620 0.000 -9.723) 10.375 7.404 ( 4.864 0.000 -1.124) 4.992 7.436 ( -1.592 0.000 6.816) 6.999 7.651 ( -6.480 0.000 -5.522) 8.514 7.718 ( 1.024 0.000 7.308) 7.379 7.762 ( 3.374 0.000 4.311) 5.474 7.817 ( 4.221 0.000 -0.346) 4.235 8.032 ( 11.755 0.000 -4.488) 12.583 8.312 ( -1.021 0.000 4.867) 4.973 8.390 ( 6.978 0.000 -3.741) 7.918 8.507 ( -4.615 0.000 -0.071) 4.615 8.535 ( -0.532 0.000 -3.998) 4.033 8.549 ( -1.804 0.000 0.302) 1.829 8.575 ( -3.384 0.000 2.872) 4.439 8.611 ( -3.056 0.000 2.387) 3.878 8.809 ( 2.270 0.000 -1.874) 2.944 8.831 ( 0.284 0.000 -0.178) 0.335 8.864 ( -0.866 0.000 -3.216) 3.331 8.977 ( -0.069 0.000 -4.125) 4.125 8.991 ( -3.343 0.000 -0.765) 3.430 9.100 ( -2.506 0.000 0.291) 2.523 9.122 ( -3.363 0.000 -2.174) 4.004 9.158 ( -0.565 0.000 -3.176) 3.226 9.247 ( -1.770 0.000 2.932) 3.425 9.378 ( -4.542 0.000 0.520) 4.572 9.518 ( 0.717 0.000 8.231) 8.262 9.531 ( -3.745 0.000 -2.926) 4.753 9.558 ( -2.459 0.000 10.718) 10.996 9.802 ( 2.905 0.000 -7.779) 8.303 9.892 ( -4.026 0.000 -0.739) 4.093 10.214 ( 9.673 0.000 1.291) 9.759 10.263 ( 8.363 0.000 -3.585) 9.099 10.348 ( 5.353 0.000 9.878) 11.235 10.380 ( 11.732 0.000 3.738) 12.313 10.496 ( 7.337 0.000 -3.496) 8.127 10.573 ( -0.253 0.000 -2.683) 2.695 10.708 ( 0.764 0.000 8.631) 8.665 10.733 ( -2.663 0.000 -11.506) 11.810 10.743 ( 5.436 0.000 -3.495) 6.462 10.936 ( 0.779 0.000 9.896) 9.927 11.072 ( -2.715 0.000 8.053) 8.498 11.204 ( -4.704 0.000 -11.268) 12.211 11.369 ( -17.517 0.000 -0.187) 17.518 11.450 ( 0.507 0.000 -3.135) 3.176 11.579 ( -1.467 0.000 0.337) 1.505 11.704 ( -3.894 0.000 6.621) 7.681 11.724 ( -4.876 0.000 -5.009) 6.990 11.762 ( -5.609 0.000 -3.321) 6.519 11.884 ( -9.124 0.000 -3.215) 9.674 11.998 ( -7.754 0.000 -0.501) 7.770 12.025 ( 0.213 0.000 -3.276) 3.283 12.092 ( -8.439 0.000 1.857) 8.641 12.125 ( -6.195 0.000 -2.718) 6.765 12.255 ( -2.212 0.000 -5.400) 5.836 12.776 ( -8.269 0.000 8.279) 11.701 12.897 ( 8.007 0.000 5.936) 9.967 12.996 ( 4.745 0.000 3.598) 5.955 13.020 ( 0.358 0.000 -6.443) 6.453 13.168 ( 0.774 0.000 3.753) 3.832 13.194 ( -4.009 0.000 -8.997) 9.850 13.349 ( -15.102 0.000 -11.005) 18.687 13.488 ( -14.955 0.000 -1.909) 15.076 13.651 ( -1.642 0.000 6.402) 6.609 13.802 ( -8.009 0.000 5.093) 9.491 14.306 ( 1.127 0.000 -3.582) 3.755 14.390 ( 0.591 0.000 -2.161) 2.240 14.577 ( 2.730 0.000 2.878) 3.967 14.632 ( 1.285 0.000 -0.759) 1.492 15.116 ( -1.481 0.000 4.843) 5.065 15.164 ( 2.486 0.000 -5.326) 5.878 15.310 ( 6.530 0.000 -2.456) 6.977 15.468 ( 2.553 0.000 1.205) 2.823 16.128 ( 6.185 0.000 5.777) 8.463 16.275 ( 6.937 0.000 -4.495) 8.266 16.342 ( 5.847 0.000 1.978) 6.172 16.449 ( 4.172 0.000 -1.072) 4.307 19.970 ( -1.136 0.000 -0.368) 1.194 20.010 ( -2.470 0.000 0.249) 2.482 20.228 ( -6.787 0.000 -0.905) 6.847 20.290 ( -13.278 0.000 -10.051) 16.653 20.841 ( -0.095 0.000 2.460) 2.462 20.857 ( 2.021 0.000 -1.622) 2.591 20.963 ( -3.256 0.000 0.390) 3.279 21.007 ( -3.610 0.000 -0.350) 3.627 21.210 ( -3.640 0.000 3.590) 5.112 21.231 ( 0.632 0.000 -2.913) 2.980 21.573 ( 0.032 0.000 3.259) 3.259 21.624 ( -0.275 0.000 -0.828) 0.872 21.868 ( 0.088 0.000 0.463) 0.472 21.955 ( -1.901 0.000 2.717) 3.316 22.597 ( 3.500 0.000 -0.837) 3.598 22.676 ( 0.142 0.000 2.140) 2.145 22.716 ( 3.573 0.000 -1.377) 3.829 22.882 ( 6.624 0.000 0.555) 6.647 23.028 ( -8.554 0.000 -3.230) 9.143 23.040 ( 4.014 0.000 -3.241) 5.159 23.421 ( 8.114 0.000 14.680) 16.773 23.736 ( 7.959 0.000 -6.868) 10.513 24.342 ( 27.306 0.000 18.710) 33.101 24.691 ( 13.337 0.000 -2.641) 13.596 25.711 ( -1.823 0.000 -0.052) 1.824 25.720 ( -2.644 0.000 0.004) 2.644 25.789 ( -5.678 0.000 1.537) 5.882 25.934 ( -9.092 0.000 -7.740) 11.941 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 1.471 -2.066 25.757) 25.882 1.173 ( -2.847 12.600 20.804) 24.489 1.552 ( 4.385 4.827 -18.929) 20.021 1.564 ( -3.117 -9.924 -24.225) 26.364 1.861 ( 1.119 27.633 14.189) 31.083 2.044 ( -1.074 9.049 -7.796) 11.993 2.318 ( 0.207 -6.573 1.180) 6.681 2.355 ( -1.361 -5.158 -2.456) 5.872 2.508 ( 5.018 -4.726 4.626) 8.301 2.540 ( -0.970 -3.023 -0.422) 3.203 2.606 ( -2.234 0.935 2.262) 3.314 2.660 ( 0.154 1.401 -1.073) 1.771 2.719 ( -0.746 -1.041 1.125) 1.704 2.779 ( 2.981 1.952 -2.075) 4.123 2.846 ( -1.941 3.560 2.699) 4.870 2.856 ( -2.432 3.206 -1.074) 4.165 2.899 ( 2.826 3.070 0.395) 4.192 2.907 ( -0.543 1.255 0.712) 1.542 2.980 ( -1.132 5.667 6.323) 8.566 3.095 ( 1.704 -0.004 -1.340) 2.168 3.164 ( -3.438 4.673 3.011) 6.536 3.228 ( 1.776 -1.615 1.204) 2.685 3.267 ( -1.925 0.765 -1.208) 2.398 3.304 ( -0.144 -2.176 -1.374) 2.578 3.357 ( -1.698 -0.665 -0.641) 1.932 3.438 ( 6.564 3.746 -4.795) 8.950 3.478 ( -1.853 -4.429 -0.913) 4.887 3.481 ( 0.423 -2.132 1.477) 2.628 3.508 ( 0.621 -1.769 -1.414) 2.348 3.557 ( 1.808 5.769 -10.794) 12.372 3.723 ( -4.869 -0.717 1.492) 5.142 3.779 ( 0.373 1.944 -4.054) 4.511 3.802 ( -1.633 2.454 0.889) 3.079 3.864 ( 2.848 0.665 -4.241) 5.152 3.949 ( 3.904 0.559 2.105) 4.470 3.960 ( -3.877 3.139 0.975) 5.083 4.112 ( 1.231 -0.798 6.100) 6.274 4.181 ( 1.388 0.097 6.807) 6.948 4.212 ( 2.141 -1.527 -2.179) 3.415 4.305 ( -5.040 -0.305 -2.464) 5.619 4.448 ( -2.092 -2.840 0.328) 3.542 4.512 ( 2.122 1.326 -2.602) 3.610 4.596 ( -5.113 -0.374 2.684) 5.787 4.661 ( 3.718 -3.348 -2.485) 5.586 4.697 ( -5.693 -0.467 -0.487) 5.733 4.727 ( 4.360 1.437 -4.890) 6.707 4.767 ( 5.596 -2.473 5.275) 8.078 4.872 ( -0.469 -1.909 -3.417) 3.942 4.925 ( -3.972 -4.877 6.737) 9.217 5.083 ( 2.785 -4.477 -5.740) 7.794 5.166 ( 1.355 -6.274 0.975) 6.493 5.226 ( -2.119 -5.017 -3.333) 6.385 5.463 ( 1.128 -5.388 -0.284) 5.513 5.507 ( 0.991 -8.070 -2.946) 8.648 5.561 ( -0.924 1.593 7.452) 7.676 5.682 ( -0.578 -1.710 -4.654) 4.992 5.907 ( 1.181 2.579 1.956) 3.446 5.939 ( 3.059 7.939 0.221) 8.511 5.968 ( -3.333 6.463 -2.116) 7.573 6.014 ( 0.232 6.452 -5.415) 8.426 6.148 ( -1.497 -7.201 5.220) 9.019 6.204 ( 0.694 -1.765 3.643) 4.107 6.267 ( -0.918 -3.995 -0.264) 4.107 6.288 ( 1.487 1.554 -1.264) 2.494 6.341 ( -3.821 4.511 -0.090) 5.912 6.361 ( 3.623 3.858 -0.964) 5.379 6.572 ( -2.906 -1.380 1.984) 3.780 6.596 ( 4.065 1.455 -0.432) 4.339 6.700 ( 3.716 -0.118 2.061) 4.250 6.745 ( -2.648 2.835 -3.195) 5.026 6.776 ( -5.652 0.579 5.123) 7.650 6.876 ( 3.628 2.339 -5.266) 6.809 6.987 ( -5.837 -0.812 5.055) 7.764 7.070 ( 1.236 1.499 -2.235) 2.961 7.085 ( -0.933 -2.008 2.613) 3.425 7.156 ( -0.483 -1.703 -4.969) 5.275 7.284 ( -1.470 -0.874 5.742) 5.991 7.370 ( 5.621 -4.751 -2.214) 7.686 7.396 ( 1.203 -1.489 5.463) 5.789 7.527 ( -3.074 -2.760 -7.633) 8.679 7.825 ( -0.723 6.928 3.883) 7.974 7.888 ( 2.685 7.149 -2.548) 8.050 7.956 ( 2.908 7.065 6.731) 10.182 8.135 ( -5.336 4.623 -10.858) 12.952 8.356 ( -2.078 0.054 2.593) 3.324 8.391 ( 3.074 1.609 -0.791) 3.559 8.464 ( -1.631 1.630 1.623) 2.820 8.473 ( -1.532 1.667 0.144) 2.269 8.537 ( -0.653 0.992 5.199) 5.333 8.628 ( 7.097 -0.448 -3.835) 8.079 8.722 ( -0.091 2.801 2.261) 3.601 8.798 ( -0.172 -1.065 -3.664) 3.820 8.857 ( -1.074 2.692 -0.884) 3.030 8.868 ( 0.454 2.325 -0.917) 2.541 8.939 ( 0.301 1.616 0.899) 1.874 8.993 ( -0.138 2.801 -2.893) 4.029 9.038 ( 3.710 -2.445 1.176) 4.596 9.066 ( -4.630 -4.542 -0.430) 6.500 9.171 ( -7.192 0.432 3.911) 8.198 9.219 ( 2.496 2.125 -0.813) 3.377 9.363 ( 2.659 -4.103 5.119) 7.079 9.412 ( 1.778 2.949 -1.311) 3.684 9.496 ( -3.994 -0.083 0.470) 4.022 9.625 ( 0.021 -2.109 -7.883) 8.160 9.795 ( -2.546 2.680 10.570) 11.198 9.947 ( 1.031 5.852 -4.225) 7.291 10.279 ( -8.468 -7.617 6.227) 12.981 10.286 ( -3.147 -1.778 1.530) 3.925 10.382 ( 4.265 -1.480 2.426) 5.125 10.475 ( 2.858 -5.345 -3.173) 6.842 10.479 ( 2.633 -6.285 6.287) 9.272 10.592 ( -0.964 -4.374 -4.407) 6.283 10.634 ( -2.421 -5.783 -2.567) 6.774 10.655 ( 5.251 -1.936 -4.040) 6.902 10.827 ( -3.284 -0.717 0.675) 3.429 10.849 ( 1.645 -1.444 -2.183) 3.091 11.048 ( 3.964 -6.227 0.984) 7.447 11.081 ( 2.529 -1.685 -2.720) 4.078 11.383 ( 7.774 3.705 2.837) 9.067 11.425 ( -10.818 1.359 -1.424) 10.996 11.538 ( -2.978 2.652 -0.407) 4.008 11.559 ( 1.608 1.653 -2.755) 3.593 11.728 ( 3.204 4.640 4.824) 7.420 11.795 ( -1.630 -4.742 -0.868) 5.089 11.817 ( 4.182 -0.923 3.936) 5.817 11.874 ( -7.307 3.978 -2.264) 8.622 11.980 ( 2.095 -3.829 -0.686) 4.418 11.998 ( 0.813 -1.153 -4.964) 5.161 12.094 ( 3.150 5.363 1.934) 6.513 12.192 ( -2.749 4.348 -7.650) 9.219 12.714 ( -1.557 -5.580 5.091) 7.712 12.833 ( 6.370 -8.840 -4.183) 11.671 12.957 ( -1.038 -3.593 2.260) 4.370 13.029 ( 3.307 0.594 -3.103) 4.573 13.144 ( 0.466 0.386 1.064) 1.224 13.188 ( 0.508 0.709 -3.120) 3.240 13.300 ( -3.178 5.006 2.288) 6.356 13.388 ( 1.633 5.563 -6.414) 8.646 13.688 ( -0.847 -2.403 4.960) 5.576 13.727 ( 0.327 -1.214 1.570) 2.011 14.330 ( 0.573 2.564 3.552) 4.418 14.407 ( -1.148 4.255 -3.810) 5.826 14.640 ( -0.398 3.088 3.696) 4.833 14.683 ( -1.225 3.349 -0.683) 3.630 15.098 ( -3.319 0.170 4.482) 5.580 15.181 ( 1.762 0.545 -3.799) 4.224 15.346 ( -2.137 -7.019 3.082) 7.959 15.389 ( 1.634 -3.548 -1.472) 4.174 16.240 ( -0.240 2.022 5.270) 5.650 16.336 ( 0.602 1.717 -4.611) 4.957 16.412 ( 0.892 -1.587 2.664) 3.227 16.466 ( -0.669 -0.833 -2.757) 2.957 19.982 ( 1.128 1.130 0.281) 1.621 19.995 ( -0.463 1.641 -1.174) 2.071 20.111 ( -0.362 -1.254 0.866) 1.567 20.132 ( -1.068 -1.448 -1.337) 2.242 20.886 ( -0.953 3.366 2.229) 4.148 20.920 ( 0.695 3.377 -1.322) 3.692 21.052 ( 0.700 9.629 2.390) 9.946 21.102 ( -0.934 5.460 -2.246) 5.977 21.175 ( -0.677 4.047 2.507) 4.808 21.258 ( -0.530 8.566 -5.895) 10.412 21.588 ( 0.661 -0.344 3.845) 3.917 21.646 ( -0.204 1.588 -2.001) 2.563 21.903 ( 1.756 0.031 1.855) 2.555 21.928 ( -1.890 1.297 -0.720) 2.403 22.596 ( 2.321 -7.836 3.315) 8.819 22.673 ( -0.307 -5.784 -3.759) 6.905 22.753 ( 1.893 -0.338 1.053) 2.192 22.794 ( -1.539 -2.611 -1.976) 3.618 22.931 ( -0.335 -4.072 -0.715) 4.147 22.966 ( -0.982 -5.835 -3.789) 7.026 23.632 ( -0.217 3.138 7.967) 8.565 23.756 ( 0.912 -1.413 -4.914) 5.194 24.687 ( 1.669 -4.316 9.247) 10.340 24.829 ( 0.530 -1.909 -6.596) 6.887 25.698 ( 0.266 0.338 -0.005) 0.430 25.698 ( -0.274 0.335 -0.037) 0.434 25.730 ( 0.313 -0.460 0.196) 0.589 25.732 ( -1.572 -0.576 -0.054) 1.675 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 7.577 5.058 18.297) 20.439 1.371 ( 5.268 1.389 -18.284) 19.078 1.528 ( 16.324 3.755 20.873) 26.762 1.677 ( 15.532 3.651 -20.934) 26.321 2.086 ( 12.025 5.996 -1.592) 13.531 2.092 ( 13.585 9.709 3.253) 17.011 2.357 ( 2.740 -6.648 -0.637) 7.219 2.384 ( 4.211 -1.368 2.136) 4.916 2.477 ( -2.448 -7.973 -3.165) 8.921 2.558 ( -1.878 -1.681 -2.951) 3.881 2.593 ( -1.182 2.067 3.084) 3.896 2.676 ( -2.540 -0.276 -1.092) 2.779 2.716 ( 1.273 2.204 1.298) 2.857 2.755 ( -1.063 3.655 -0.701) 3.870 2.783 ( -1.354 2.706 -3.657) 4.746 2.854 ( -1.002 2.161 5.372) 5.877 2.928 ( 1.972 -0.831 4.061) 4.590 2.950 ( 1.501 3.178 -2.321) 4.211 3.045 ( -0.230 -0.172 1.194) 1.228 3.090 ( -3.564 -0.897 -0.039) 3.675 3.170 ( 0.771 2.171 3.458) 4.155 3.250 ( 4.236 0.812 2.008) 4.758 3.289 ( 0.353 0.487 3.349) 3.403 3.305 ( 5.189 3.830 -2.558) 6.938 3.312 ( 1.354 0.113 -0.101) 1.362 3.431 ( -2.965 -0.568 1.276) 3.278 3.466 ( 3.794 4.928 -8.756) 10.740 3.497 ( 2.226 -0.671 -0.759) 2.446 3.579 ( 5.693 1.084 -3.840) 6.952 3.586 ( 4.409 -4.851 -2.602) 7.053 3.711 ( -0.300 2.681 3.652) 4.541 3.760 ( -2.824 3.878 1.492) 5.024 3.793 ( 2.226 5.105 -0.439) 5.586 3.889 ( -3.051 -0.689 0.154) 3.132 3.915 ( 5.211 0.392 -1.339) 5.394 4.036 ( -7.198 1.081 -1.904) 7.523 4.064 ( 3.702 2.433 3.845) 5.866 4.217 ( 4.191 -0.947 -4.595) 6.290 4.291 ( 2.016 1.910 -7.555) 8.049 4.335 ( 4.707 2.425 10.959) 12.171 4.378 ( -0.400 1.650 4.375) 4.693 4.581 ( -0.932 0.288 1.915) 2.149 4.591 ( 1.913 -3.493 -2.600) 4.756 4.653 ( 6.955 -4.599 1.992) 8.573 4.683 ( -3.159 -2.469 -3.090) 5.062 4.808 ( 1.153 -1.146 -7.818) 7.986 4.834 ( 6.374 -1.579 2.727) 7.110 4.884 ( 3.423 -1.074 1.741) 3.987 4.940 ( 1.730 -9.060 5.248) 10.612 5.061 ( -0.498 -2.098 -5.426) 5.838 5.166 ( -0.276 -5.644 -3.821) 6.821 5.231 ( -1.346 -7.289 3.807) 8.333 5.398 ( -4.036 -6.140 -1.144) 7.437 5.408 ( -7.153 -2.758 -3.034) 8.245 5.524 ( -7.198 0.783 5.065) 8.836 5.608 ( -3.686 -0.676 -3.287) 4.985 5.844 ( -6.346 8.232 -3.452) 10.952 5.892 ( -6.009 5.425 0.982) 8.155 5.953 ( -3.087 3.789 2.630) 5.550 5.986 ( -0.224 3.288 -3.136) 4.550 6.079 ( -8.589 -2.934 2.435) 9.397 6.173 ( -4.760 -2.013 1.647) 5.424 6.183 ( -4.406 -4.345 -2.492) 6.671 6.271 ( -4.026 -2.209 1.562) 4.851 6.299 ( -3.613 7.645 0.553) 8.474 6.411 ( 1.047 2.024 -2.000) 3.032 6.545 ( -6.047 1.433 0.694) 6.254 6.596 ( -3.534 3.599 -0.122) 5.045 6.665 ( 0.120 -1.188 0.328) 1.238 6.740 ( 0.690 3.845 -0.462) 3.934 6.802 ( 4.640 0.778 4.030) 6.195 6.864 ( 2.442 2.019 1.137) 3.366 7.020 ( 2.922 0.812 2.541) 3.957 7.086 ( -0.290 -4.047 -0.883) 4.153 7.106 ( -0.230 2.816 4.775) 5.548 7.135 ( 0.162 -4.479 -1.386) 4.692 7.217 ( -3.117 -3.761 1.127) 5.013 7.334 ( -3.432 -2.311 -7.136) 8.248 7.494 ( 2.683 -3.868 -1.173) 4.851 7.542 ( 4.725 1.433 5.202) 7.172 7.795 ( -4.245 3.171 1.689) 5.561 7.893 ( 0.134 8.062 -3.279) 8.704 7.957 ( -6.780 4.127 -0.549) 7.956 7.977 ( -6.184 5.109 -0.356) 8.030 8.306 ( -7.725 -0.950 2.984) 8.335 8.356 ( -0.966 -2.355 0.011) 2.546 8.421 ( 3.924 3.098 -1.498) 5.219 8.559 ( 1.394 -1.684 -0.049) 2.187 8.581 ( 2.199 2.583 2.559) 4.249 8.650 ( 2.916 0.316 -2.904) 4.127 8.720 ( -3.754 -1.771 -2.428) 4.808 8.775 ( -2.424 -1.033 -1.119) 2.862 8.839 ( 1.768 2.375 1.401) 3.275 8.885 ( 1.025 3.080 -0.476) 3.281 8.945 ( 0.485 3.521 1.314) 3.789 8.994 ( -0.553 3.588 -1.572) 3.956 9.041 ( 4.975 0.219 3.447) 6.056 9.134 ( 2.841 2.179 2.044) 4.123 9.160 ( 3.981 0.912 2.173) 4.626 9.303 ( 6.053 -1.756 1.596) 6.501 9.349 ( -3.312 -1.025 -3.819) 5.159 9.443 ( 2.919 -0.065 -2.029) 3.555 9.498 ( -0.659 -5.514 10.472) 11.853 9.590 ( -0.034 3.913 -4.321) 5.829 9.847 ( 1.508 3.073 4.804) 5.899 9.944 ( 1.023 5.600 -1.382) 5.858 10.124 ( -12.016 -4.072 3.459) 13.150 10.192 ( -6.214 -6.724 3.037) 9.646 10.375 ( -4.744 0.401 1.681) 5.049 10.446 ( -7.416 -3.635 -4.163) 9.249 10.471 ( -5.576 -1.466 0.913) 5.837 10.524 ( -1.658 -5.239 1.206) 5.626 10.586 ( 3.188 -3.056 -3.172) 5.437 10.669 ( -4.461 -0.787 -3.280) 5.593 10.838 ( 4.653 -4.054 -0.906) 6.238 10.912 ( 2.881 -0.925 1.773) 3.507 11.136 ( 0.673 -2.365 -1.483) 2.871 11.174 ( 8.861 -4.509 -4.393) 10.869 11.303 ( 2.761 3.172 0.600) 4.247 11.455 ( 2.112 -1.839 -2.674) 3.872 11.617 ( 1.680 2.881 -2.345) 4.077 11.635 ( 7.908 -0.028 5.170) 9.447 11.726 ( -1.295 1.059 1.506) 2.250 11.808 ( 7.349 0.237 -0.637) 7.381 11.871 ( 5.506 -5.707 -1.258) 8.030 11.977 ( 9.627 5.099 2.290) 11.132 12.049 ( 4.611 -1.391 -4.226) 6.407 12.052 ( 7.374 -1.108 -1.736) 7.656 12.106 ( -1.497 0.328 -3.249) 3.593 12.215 ( 6.612 4.198 2.224) 8.142 12.779 ( 3.066 -13.755 1.069) 14.133 12.895 ( 3.194 -9.143 -8.225) 12.706 12.990 ( 4.923 -0.513 2.458) 5.526 13.088 ( 1.615 1.994 -0.819) 2.693 13.130 ( 2.862 2.746 -5.203) 6.543 13.185 ( 2.883 -0.217 0.149) 2.895 13.297 ( -0.152 5.881 -4.578) 7.455 13.488 ( 11.891 4.239 3.676) 13.148 13.735 ( 7.887 -0.272 0.203) 7.895 13.847 ( 7.319 -3.559 1.170) 8.222 14.298 ( -5.547 3.841 -1.225) 6.857 14.373 ( -1.232 3.451 1.982) 4.166 14.630 ( -3.202 3.460 2.263) 5.229 14.655 ( -1.866 3.676 1.626) 4.432 15.061 ( -4.029 0.526 5.764) 7.052 15.182 ( 0.267 -0.067 -2.321) 2.338 15.246 ( -8.529 -3.644 1.979) 9.483 15.416 ( 0.632 -5.021 -0.953) 5.150 16.205 ( -6.925 2.159 5.064) 8.846 16.256 ( -5.235 1.942 -5.611) 7.916 16.378 ( -6.169 -1.251 -3.096) 7.015 16.391 ( -4.840 -2.361 2.743) 6.044 19.986 ( 0.926 1.420 -0.756) 1.856 20.023 ( 2.761 0.744 -0.464) 2.897 20.157 ( 4.141 -2.618 1.326) 5.075 20.193 ( 7.207 -2.273 0.534) 7.576 20.885 ( -0.394 4.543 2.349) 5.129 20.920 ( 0.330 4.435 -1.469) 4.683 21.082 ( 1.042 10.616 -0.921) 10.706 21.097 ( 1.675 3.202 0.726) 3.686 21.197 ( 1.148 8.276 2.992) 8.875 21.268 ( 3.316 2.857 -1.100) 4.513 21.611 ( -0.947 0.817 -0.510) 1.351 21.628 ( 0.488 0.236 0.222) 0.585 21.878 ( -1.334 0.570 -0.612) 1.575 21.967 ( 3.092 -0.375 1.177) 3.330 22.565 ( -5.906 -7.144 -3.688) 9.975 22.640 ( -0.218 -6.263 1.528) 6.450 22.764 ( 0.200 -0.149 -3.683) 3.691 22.788 ( -3.136 -6.927 -0.568) 7.625 22.934 ( -1.002 -3.948 0.538) 4.108 22.962 ( 5.713 -1.172 1.587) 6.045 23.591 ( -8.398 1.774 6.673) 10.872 23.660 ( -6.395 0.565 -5.920) 8.733 24.570 ( -16.198 -0.284 1.579) 16.277 24.613 ( -17.145 -0.253 -2.206) 17.288 25.717 ( 1.991 0.472 -0.047) 2.046 25.728 ( 2.839 0.628 -0.226) 2.917 25.802 ( 6.109 -2.114 1.876) 6.731 25.815 ( 7.412 -1.678 -1.213) 7.695 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 18.881 6.890 -10.117) 22.501 1.596 ( 17.060 4.672 12.040) 21.397 1.823 ( 16.170 6.284 -17.793) 24.850 1.954 ( 15.234 3.465 17.373) 23.365 2.293 ( 3.016 -5.895 1.732) 6.845 2.339 ( 8.525 -6.340 -0.721) 10.649 2.397 ( -0.132 -3.372 0.616) 3.431 2.443 ( 4.748 -1.178 3.148) 5.818 2.473 ( -1.953 4.390 -2.043) 5.222 2.500 ( 2.356 -6.270 -0.387) 6.709 2.583 ( -3.004 -4.158 1.430) 5.325 2.647 ( 1.173 -2.336 0.901) 2.765 2.661 ( -2.747 2.991 -0.285) 4.071 2.736 ( 0.626 2.504 2.617) 3.676 2.783 ( -7.200 -4.236 0.679) 8.382 2.851 ( -1.134 1.777 -0.984) 2.326 2.903 ( -1.217 -0.220 2.299) 2.611 2.970 ( -0.998 -1.534 0.163) 1.837 3.018 ( 5.808 3.260 0.998) 6.735 3.093 ( 3.914 2.943 -1.716) 5.189 3.220 ( -0.258 -2.829 -4.181) 5.055 3.253 ( -0.946 -2.334 1.361) 2.862 3.345 ( 0.406 3.296 0.065) 3.321 3.363 ( 1.593 -0.659 0.279) 1.746 3.391 ( 4.345 3.530 -2.038) 5.958 3.462 ( 5.703 4.665 -8.235) 11.050 3.517 ( 0.219 3.041 -2.026) 3.661 3.560 ( 9.169 3.568 4.535) 10.834 3.624 ( -5.482 3.274 -1.076) 6.475 3.676 ( 8.442 -1.460 -1.465) 8.691 3.702 ( 3.851 -0.125 0.495) 3.885 3.758 ( 1.680 5.668 3.403) 6.821 3.839 ( -4.169 4.369 -1.223) 6.162 3.872 ( 2.668 8.117 2.938) 9.035 3.950 ( 4.012 2.773 2.376) 5.425 4.009 ( 5.605 -1.028 -0.037) 5.699 4.112 ( 2.110 4.677 1.459) 5.334 4.297 ( 5.117 -0.767 -7.664) 9.247 4.329 ( 7.576 3.507 -4.218) 9.353 4.429 ( 0.599 -2.227 0.357) 2.334 4.472 ( 0.196 0.320 13.833) 13.838 4.501 ( -7.117 -2.064 -2.470) 7.811 4.601 ( 0.808 1.651 2.442) 3.057 4.673 ( 6.712 -5.915 -4.538) 10.031 4.741 ( 0.938 -3.495 -3.161) 4.805 4.792 ( -10.427 -4.583 -3.386) 11.882 4.841 ( 1.171 2.906 -0.086) 3.134 4.935 ( 1.270 -5.877 2.021) 6.343 5.033 ( 2.761 1.155 -2.946) 4.200 5.081 ( 4.733 -3.478 3.888) 7.044 5.121 ( -1.740 -5.444 8.201) 9.996 5.194 ( 0.932 -2.008 -0.572) 2.286 5.254 ( -3.999 -8.218 -1.997) 9.355 5.422 ( -2.738 -3.910 0.744) 4.831 5.497 ( 7.648 3.150 -0.749) 8.305 5.517 ( -3.606 3.065 -1.721) 5.036 5.697 ( -6.387 9.104 -2.782) 11.464 5.707 ( -11.841 2.860 -0.073) 12.182 5.890 ( -8.586 0.967 -0.012) 8.640 5.913 ( -5.882 0.253 -1.351) 6.041 5.956 ( -3.978 2.859 2.131) 5.342 6.037 ( -7.633 -1.173 -0.642) 7.749 6.109 ( -4.759 -1.094 -3.476) 5.994 6.156 ( -7.814 0.921 1.192) 7.958 6.188 ( -7.394 0.778 1.049) 7.509 6.334 ( -7.854 4.757 0.683) 9.207 6.476 ( -0.981 1.684 1.198) 2.288 6.542 ( -2.222 1.930 0.096) 2.945 6.690 ( 1.354 -0.950 1.242) 2.068 6.780 ( 3.240 -1.188 -4.116) 5.371 6.904 ( 0.957 3.565 -0.196) 3.697 6.950 ( 5.427 1.926 0.798) 5.814 7.020 ( -5.127 -1.308 2.307) 5.773 7.033 ( -0.219 -5.753 1.196) 5.880 7.114 ( 1.645 0.175 0.883) 1.875 7.197 ( 1.610 -3.086 6.811) 7.649 7.260 ( 4.930 -1.996 0.928) 5.400 7.279 ( 2.468 -3.797 -2.389) 5.120 7.489 ( -1.628 1.283 -2.023) 2.896 7.624 ( -0.595 -0.900 5.773) 5.873 7.711 ( -5.588 -0.518 1.782) 5.888 7.818 ( -6.386 2.886 -1.410) 7.148 7.852 ( -3.205 4.893 -4.476) 7.366 7.860 ( -2.638 4.306 -4.669) 6.878 8.210 ( -5.069 1.216 5.774) 7.779 8.323 ( -0.092 -4.324 -3.514) 5.573 8.503 ( 2.607 1.233 -2.019) 3.520 8.579 ( -1.949 -0.183 -3.999) 4.453 8.598 ( -0.475 -0.143 -2.124) 2.181 8.616 ( -0.861 0.845 4.376) 4.539 8.720 ( 2.226 -0.146 2.395) 3.273 8.736 ( 0.910 -1.578 -1.329) 2.255 8.897 ( -1.057 0.845 2.204) 2.586 8.907 ( 4.072 4.899 -1.288) 6.500 8.969 ( 0.595 4.332 1.941) 4.784 9.031 ( 5.582 1.836 1.656) 6.105 9.169 ( 2.603 6.477 8.243) 10.802 9.203 ( 2.435 -3.969 0.677) 4.705 9.242 ( 3.975 0.866 -1.544) 4.352 9.282 ( 0.672 3.191 -0.452) 3.292 9.428 ( 0.404 -7.464 -1.679) 7.661 9.469 ( 5.706 0.152 3.525) 6.709 9.556 ( 0.325 2.378 1.390) 2.773 9.582 ( 1.416 0.310 3.368) 3.667 9.851 ( -0.651 3.390 -2.712) 4.390 9.962 ( -1.251 0.877 -0.491) 1.605 10.011 ( -3.184 -5.466 4.001) 7.485 10.088 ( -5.159 -1.076 3.576) 6.369 10.246 ( -7.999 2.062 -2.688) 8.687 10.317 ( -6.270 -0.526 2.926) 6.939 10.353 ( -3.723 1.940 -7.932) 8.975 10.458 ( -5.773 -0.704 -0.535) 5.841 10.560 ( -3.823 -2.228 0.422) 4.445 10.606 ( -1.251 -4.617 0.888) 4.866 10.887 ( -0.232 -0.943 -5.591) 5.674 10.942 ( 1.370 -5.430 -6.428) 8.526 11.078 ( -3.018 0.932 10.863) 11.313 11.306 ( 3.796 3.644 -0.009) 5.262 11.440 ( 7.559 -0.532 3.219) 8.233 11.570 ( 7.408 -3.078 -0.197) 8.024 11.606 ( 5.194 -0.026 -5.200) 7.349 11.717 ( 4.885 1.177 0.324) 5.035 11.801 ( 2.034 -6.043 0.373) 6.387 11.965 ( 3.987 2.688 0.412) 4.827 11.990 ( 6.761 -4.624 -4.377) 9.287 12.045 ( 6.673 -3.114 -1.880) 7.600 12.094 ( 2.723 -3.263 0.124) 4.252 12.135 ( 2.678 -3.916 -0.596) 4.782 12.289 ( 13.406 2.780 3.935) 14.246 12.337 ( 7.864 5.557 0.127) 9.630 12.768 ( -0.181 -7.482 -3.763) 8.377 12.892 ( 0.089 -10.032 -5.672) 11.524 13.028 ( -1.318 3.806 -10.172) 10.941 13.053 ( -3.452 0.254 -3.009) 4.586 13.125 ( 2.950 -1.673 4.745) 5.832 13.290 ( 3.264 4.603 -2.209) 6.060 13.455 ( 17.867 -0.611 1.934) 17.982 13.748 ( 8.752 5.047 7.071) 12.331 13.925 ( 11.000 -2.419 -5.673) 12.611 13.981 ( 8.672 -0.919 0.459) 8.732 14.179 ( -4.746 1.933 -1.101) 5.242 14.343 ( -3.808 -0.774 1.463) 4.152 14.576 ( -2.733 4.854 0.153) 5.573 14.629 ( -3.172 5.163 4.315) 7.439 15.033 ( -4.336 0.620 8.443) 9.512 15.101 ( -8.451 -1.213 5.002) 9.895 15.163 ( -0.712 0.110 -2.508) 2.609 15.393 ( -1.615 -5.072 -3.318) 6.272 16.075 ( -10.036 2.166 4.424) 11.180 16.105 ( -6.080 1.746 -6.332) 8.950 16.234 ( -5.967 -2.118 -3.111) 7.055 16.301 ( -6.378 -3.647 2.403) 7.730 20.016 ( 2.385 1.172 -0.161) 2.662 20.069 ( 2.494 0.311 -0.893) 2.667 20.270 ( 5.161 -5.459 4.662) 8.842 20.342 ( 8.050 -5.305 -0.100) 9.641 20.916 ( 2.000 6.854 3.227) 7.836 20.925 ( 1.875 6.127 -1.680) 6.624 21.093 ( 0.619 8.157 -0.760) 8.216 21.140 ( 1.398 0.881 2.350) 2.873 21.239 ( 1.181 2.993 0.834) 3.324 21.318 ( 1.831 9.955 -0.153) 10.123 21.589 ( -0.030 -0.170 0.418) 0.452 21.636 ( -0.256 2.786 0.828) 2.918 21.894 ( 3.723 -2.920 -1.450) 4.949 22.042 ( 5.480 0.047 -0.736) 5.529 22.421 ( -7.709 -7.882 -2.380) 11.279 22.620 ( -8.101 -10.848 2.787) 13.823 22.652 ( -3.359 -0.526 -2.238) 4.071 22.743 ( -0.446 -2.609 -5.205) 5.839 22.926 ( -0.676 2.072 1.833) 2.847 23.114 ( 6.725 -3.753 1.692) 7.885 23.465 ( -5.717 2.097 -0.865) 6.150 23.516 ( -5.245 2.350 -0.652) 5.785 24.205 ( -16.511 3.052 -11.419) 20.305 24.291 ( -20.569 0.570 7.844) 22.021 25.762 ( 2.609 0.828 0.121) 2.740 25.782 ( 2.946 0.996 -0.403) 3.136 25.913 ( 2.899 -3.128 4.517) 6.212 25.929 ( 6.505 -2.563 -3.478) 7.809 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 20.745 6.058 -2.071) 21.710 1.974 ( 16.952 1.729 0.884) 17.062 2.032 ( 12.249 2.260 -2.926) 12.794 2.191 ( -7.062 1.495 0.815) 7.265 2.254 ( -14.955 -0.153 1.879) 15.073 2.284 ( 6.279 -0.558 8.115) 10.276 2.377 ( -4.226 -1.917 -0.967) 4.740 2.395 ( -3.632 -4.123 2.024) 5.855 2.445 ( -1.460 1.592 2.748) 3.496 2.556 ( -2.416 -3.928 1.542) 4.863 2.584 ( 2.233 -6.058 0.553) 6.480 2.660 ( 0.804 -4.059 -1.353) 4.354 2.672 ( 4.941 -0.044 1.204) 5.086 2.782 ( 1.541 -1.097 1.268) 2.278 2.800 ( 6.395 -7.586 4.405) 10.855 2.882 ( 2.408 -2.482 1.215) 3.665 2.901 ( -1.753 -0.039 -0.986) 2.011 2.996 ( 3.538 -1.067 -0.304) 3.708 3.055 ( 1.287 3.065 -2.983) 4.467 3.121 ( -3.335 -4.904 -7.669) 9.694 3.187 ( -3.542 0.737 2.853) 4.608 3.255 ( 1.122 3.792 8.392) 9.276 3.292 ( -0.740 0.826 -1.961) 2.252 3.403 ( 0.422 0.338 -0.578) 0.791 3.458 ( 6.096 3.959 -4.263) 8.427 3.469 ( -2.437 4.231 -1.356) 5.068 3.499 ( -2.961 7.417 -0.913) 8.038 3.605 ( 1.810 2.374 2.124) 3.663 3.640 ( -1.219 5.182 0.749) 5.376 3.683 ( 4.451 -4.310 -4.160) 7.462 3.741 ( 0.732 4.135 -4.217) 5.952 3.857 ( 4.900 5.109 4.346) 8.307 3.929 ( 8.546 -0.056 2.657) 8.949 3.936 ( 2.112 5.297 -3.006) 6.447 4.066 ( -0.431 3.273 3.875) 5.091 4.130 ( 5.422 2.343 -5.899) 8.348 4.161 ( -2.789 0.642 -7.609) 8.129 4.186 ( 2.439 1.664 -2.096) 3.620 4.280 ( -17.639 1.097 -1.495) 17.736 4.378 ( -2.133 1.720 -6.803) 7.334 4.498 ( 5.526 2.292 3.301) 6.833 4.539 ( -1.990 -1.020 14.684) 14.853 4.560 ( 0.029 0.164 6.301) 6.304 4.700 ( 2.632 1.021 -0.050) 2.824 4.755 ( 3.950 -3.166 -4.656) 6.878 4.780 ( 4.380 -1.243 -4.797) 6.614 4.880 ( -0.347 -0.396 2.123) 2.187 4.942 ( 4.195 -0.902 0.281) 4.300 5.005 ( -9.817 -5.697 1.549) 11.455 5.089 ( 2.010 -0.801 -2.876) 3.599 5.165 ( 5.134 -4.391 5.461) 8.687 5.279 ( 2.040 0.554 -0.615) 2.202 5.329 ( -1.252 0.872 3.023) 3.386 5.365 ( 5.076 2.634 -4.618) 7.351 5.487 ( -5.269 -2.341 2.305) 6.209 5.533 ( 5.456 -1.253 3.264) 6.480 5.615 ( -2.479 4.565 -2.993) 5.996 5.655 ( 4.469 3.896 -1.757) 6.184 5.737 ( -6.171 3.312 -4.318) 8.228 5.768 ( -7.438 -0.050 1.181) 7.531 5.897 ( -0.292 3.787 -1.487) 4.079 5.930 ( -7.486 0.088 1.703) 7.678 5.974 ( -5.653 -0.116 -0.647) 5.691 6.023 ( -6.214 -3.570 0.737) 7.204 6.110 ( -1.169 2.643 1.069) 3.081 6.215 ( -3.846 3.831 -1.472) 5.624 6.483 ( -0.504 -1.473 1.524) 2.179 6.529 ( 0.621 0.652 -1.092) 1.415 6.716 ( 0.718 -2.364 0.334) 2.493 6.757 ( -1.058 -1.835 -3.438) 4.038 6.877 ( 0.642 1.953 -1.122) 2.342 6.940 ( -4.438 2.382 0.892) 5.115 7.057 ( 0.163 -4.454 2.657) 5.189 7.070 ( 3.415 -5.738 0.348) 6.687 7.153 ( 2.130 -0.575 2.370) 3.238 7.231 ( 0.231 -5.522 0.455) 5.545 7.346 ( 3.917 0.240 3.431) 5.213 7.404 ( 4.700 0.439 2.647) 5.412 7.440 ( 0.161 3.164 -0.070) 3.169 7.562 ( -7.796 -1.415 4.554) 9.139 7.663 ( -2.892 -0.921 4.732) 5.621 7.708 ( -5.472 3.163 -0.621) 6.351 7.778 ( -0.350 0.442 -5.800) 5.827 7.814 ( 1.579 1.403 -6.954) 7.268 8.198 ( -1.493 2.069 7.557) 7.976 8.319 ( 1.983 -1.273 -4.430) 5.018 8.479 ( -3.479 3.621 0.642) 5.062 8.515 ( 1.606 3.272 -4.809) 6.035 8.611 ( -0.125 0.854 1.257) 1.525 8.646 ( 3.942 -2.434 -3.378) 5.733 8.721 ( -2.442 -1.762 -2.424) 3.865 8.735 ( -1.179 0.853 -1.231) 1.906 8.880 ( -1.255 0.739 5.101) 5.304 8.976 ( 2.586 3.147 -1.591) 4.373 9.022 ( 1.592 1.086 3.715) 4.185 9.117 ( 2.056 -3.086 -0.196) 3.713 9.237 ( 1.657 -2.585 4.145) 5.158 9.245 ( 1.141 4.395 4.809) 6.614 9.285 ( 4.725 2.332 2.629) 5.889 9.350 ( -1.900 2.381 1.999) 3.643 9.376 ( -0.653 -4.056 -2.255) 4.687 9.504 ( -2.232 3.299 -3.567) 5.347 9.620 ( 2.465 1.276 7.152) 7.672 9.680 ( 7.313 -2.083 0.545) 7.624 9.819 ( -2.653 0.225 0.572) 2.723 9.905 ( -2.819 -3.962 -5.001) 6.975 10.002 ( -2.044 -0.790 5.721) 6.126 10.035 ( -4.092 3.759 4.478) 7.136 10.140 ( 0.659 3.722 -3.228) 4.971 10.216 ( -4.599 -1.813 -0.055) 4.943 10.275 ( -1.789 5.984 -5.111) 8.070 10.329 ( -3.702 -0.929 -6.333) 7.394 10.578 ( 3.257 -0.445 3.435) 4.754 10.590 ( -0.753 -5.360 4.106) 6.794 10.802 ( -3.330 -3.088 -5.660) 7.257 10.855 ( -2.348 -1.337 -10.192) 10.544 11.168 ( -1.521 -0.335 17.708) 17.777 11.341 ( 0.341 3.547 3.611) 5.073 11.566 ( 6.474 0.823 -7.031) 9.593 11.569 ( -0.664 2.334 -1.828) 3.039 11.737 ( 2.189 -9.759 0.507) 10.014 11.803 ( 6.835 -3.188 -8.158) 11.110 11.876 ( 4.351 -7.497 5.290) 10.155 11.993 ( 2.351 -2.076 -0.212) 3.144 12.066 ( -3.074 -2.004 1.796) 4.086 12.080 ( 2.295 -6.727 -1.756) 7.321 12.115 ( 1.602 -2.820 -1.011) 3.397 12.205 ( 2.982 -4.319 -1.374) 5.426 12.485 ( 7.744 6.107 2.965) 10.299 12.535 ( 8.745 2.752 2.582) 9.524 12.741 ( -0.369 3.444 -8.140) 8.846 12.810 ( -5.267 3.793 -5.732) 8.659 12.934 ( 1.871 -2.491 -6.417) 7.133 12.988 ( -3.273 0.687 -1.810) 3.802 13.230 ( 2.592 2.480 4.253) 5.564 13.325 ( 3.197 2.699 -4.366) 6.048 13.731 ( 8.701 -1.643 4.288) 9.838 13.828 ( -0.409 1.757 1.484) 2.336 13.968 ( -2.759 -6.167 1.491) 6.919 14.102 ( 1.665 -6.265 -3.776) 7.502 14.193 ( 1.378 1.458 1.845) 2.725 14.288 ( 2.929 -1.414 -4.320) 5.408 14.563 ( 1.744 6.355 -0.126) 6.592 14.593 ( -3.415 6.421 2.867) 7.817 15.010 ( -5.036 0.432 14.826) 15.664 15.043 ( -2.729 -0.537 6.378) 6.958 15.142 ( 0.767 0.892 -2.862) 3.095 15.324 ( -1.562 -3.131 -7.647) 8.410 15.934 ( -7.649 2.196 4.117) 8.960 15.995 ( -0.475 1.632 -6.328) 6.552 16.164 ( -0.000 -3.471 -0.824) 3.568 16.209 ( -4.418 -5.078 0.751) 6.773 20.057 ( 1.741 0.997 0.431) 2.052 20.093 ( 0.689 0.599 -1.287) 1.578 20.373 ( 1.797 -7.548 5.916) 9.757 20.452 ( 4.256 -8.552 -1.465) 9.665 20.973 ( 4.158 7.218 -1.130) 8.407 20.981 ( 0.777 9.211 3.540) 9.898 21.092 ( -0.183 1.918 1.431) 2.400 21.173 ( 1.277 2.913 0.373) 3.202 21.232 ( -1.998 2.570 0.577) 3.306 21.318 ( 0.241 8.068 -3.630) 8.851 21.626 ( 1.894 5.677 1.284) 6.121 21.657 ( 1.638 3.131 3.999) 5.336 21.952 ( 3.800 -7.010 -2.704) 8.420 22.126 ( -0.398 -0.007 -5.179) 5.195 22.298 ( 0.908 -6.451 0.546) 6.538 22.426 ( -11.322 -4.230 2.006) 12.251 22.639 ( -0.213 -3.771 0.990) 3.904 22.703 ( 0.226 -4.062 -4.912) 6.378 22.938 ( 0.850 2.655 2.741) 3.909 23.134 ( -3.416 -6.057 -3.541) 7.803 23.441 ( 2.062 4.941 -0.181) 5.357 23.467 ( -1.990 6.282 0.661) 6.622 23.957 ( -0.112 0.540 -8.423) 8.441 23.985 ( -17.324 0.273 6.614) 18.546 25.801 ( 1.296 0.884 0.335) 1.605 25.817 ( 1.177 1.325 -0.663) 1.892 25.957 ( -1.082 -2.704 4.193) 5.105 26.003 ( 4.229 -3.011 -3.572) 6.302 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -24.956 5.857 4.389) 26.007 1.841 ( -20.803 3.164 7.033) 22.186 2.113 ( -11.900 -1.370 -5.735) 13.281 2.226 ( 6.048 -1.464 -0.023) 6.223 2.307 ( 6.788 -0.844 -0.879) 6.897 2.319 ( 14.526 2.476 -2.786) 14.997 2.388 ( 2.518 -3.846 2.567) 5.265 2.461 ( 6.554 0.439 -4.439) 7.928 2.493 ( 4.924 -1.022 2.321) 5.539 2.542 ( 1.804 0.145 -3.575) 4.007 2.595 ( -3.852 -7.482 0.271) 8.419 2.654 ( 1.556 -2.846 -0.512) 3.284 2.743 ( 1.007 -2.662 2.740) 3.951 2.758 ( -2.855 -0.187 -4.235) 5.111 2.858 ( -2.571 0.762 0.252) 2.693 2.909 ( -3.237 -4.388 -1.903) 5.775 2.922 ( -2.836 -1.350 -0.320) 3.157 2.970 ( 2.804 -5.391 2.533) 6.583 3.005 ( -3.007 -1.190 -1.513) 3.571 3.069 ( 0.256 1.495 -2.223) 2.691 3.182 ( -1.957 2.644 7.347) 8.050 3.254 ( 1.843 2.045 -2.897) 3.996 3.319 ( -5.119 0.027 3.644) 6.284 3.373 ( -7.781 5.072 3.050) 9.776 3.412 ( 0.880 0.370 -1.718) 1.966 3.487 ( 1.991 1.450 -1.100) 2.697 3.524 ( -4.396 6.147 -5.339) 9.252 3.539 ( 2.430 0.929 4.996) 5.633 3.627 ( -2.657 3.398 2.505) 4.988 3.677 ( -4.658 6.068 -2.752) 8.130 3.768 ( -5.635 -0.337 -3.899) 6.861 3.849 ( 0.205 7.556 4.094) 8.596 3.889 ( -1.213 -2.167 0.635) 2.563 3.948 ( -3.210 1.099 4.427) 5.578 3.990 ( -5.567 3.495 1.375) 6.716 4.102 ( 3.111 2.383 -1.308) 4.132 4.153 ( 6.950 4.710 -3.842) 9.233 4.221 ( 1.629 0.228 2.178) 2.729 4.253 ( -5.395 0.191 -5.950) 8.034 4.368 ( 7.595 0.182 -1.724) 7.790 4.498 ( -5.866 2.735 2.175) 6.828 4.572 ( 2.322 -0.512 4.575) 5.156 4.659 ( -0.673 -3.383 5.551) 6.536 4.685 ( -4.497 -1.818 0.764) 4.910 4.708 ( -3.946 -2.891 -1.247) 5.048 4.794 ( 2.844 -0.236 -5.591) 6.277 4.885 ( -3.419 2.756 0.830) 4.470 5.016 ( 10.962 -4.222 1.128) 11.801 5.031 ( -1.749 -4.560 -5.595) 7.427 5.078 ( 8.480 0.998 -6.645) 10.819 5.191 ( -3.612 -1.531 0.364) 3.940 5.273 ( -3.388 4.465 1.691) 5.855 5.381 ( 7.314 0.359 -3.644) 8.180 5.416 ( 1.908 1.849 -6.011) 6.572 5.513 ( 0.810 -0.871 -0.237) 1.213 5.539 ( 0.974 4.234 3.074) 5.322 5.593 ( -10.354 3.317 3.905) 11.553 5.621 ( -0.602 -2.940 -1.797) 3.498 5.665 ( 0.565 2.727 -0.530) 2.835 5.764 ( 7.338 -0.130 2.613) 7.791 5.850 ( 1.077 0.404 2.219) 2.499 5.942 ( -0.153 -1.850 0.023) 1.856 5.997 ( 10.561 3.110 -1.819) 11.159 6.024 ( 9.404 -2.064 0.205) 9.630 6.144 ( -1.214 3.604 -1.049) 3.945 6.181 ( 4.458 3.518 1.281) 5.822 6.479 ( -1.356 -0.684 2.492) 2.918 6.519 ( 0.099 -0.078 -1.176) 1.183 6.709 ( -1.940 -0.910 1.056) 2.389 6.745 ( 0.432 -1.958 -2.163) 2.950 6.872 ( -2.360 1.389 0.038) 2.739 6.924 ( 3.074 2.463 1.749) 4.310 7.039 ( -2.242 -4.444 2.271) 5.471 7.116 ( 2.127 -4.705 -2.519) 5.746 7.196 ( -0.288 -5.706 2.327) 6.169 7.211 ( -2.205 -3.561 -2.232) 4.746 7.361 ( -2.565 3.454 1.464) 4.545 7.411 ( -2.546 3.934 0.812) 4.756 7.497 ( 0.853 -1.106 5.082) 5.271 7.564 ( 2.574 -0.904 0.212) 2.736 7.612 ( -1.056 0.781 1.137) 1.737 7.660 ( -1.903 0.842 6.222) 6.561 7.769 ( 3.230 -1.027 -4.692) 5.788 7.815 ( 2.209 -1.125 -4.203) 4.880 8.233 ( 0.208 2.120 5.407) 5.812 8.322 ( 2.079 1.407 -5.248) 5.817 8.460 ( 0.080 4.903 1.100) 5.026 8.520 ( 2.331 2.176 -3.072) 4.428 8.612 ( -2.517 -0.093 -2.565) 3.595 8.643 ( -0.906 -0.012 -3.710) 3.819 8.692 ( 3.236 -1.405 2.761) 4.480 8.738 ( 2.564 -1.066 -2.079) 3.469 8.887 ( -3.316 -0.487 5.107) 6.109 8.986 ( 0.884 4.953 -0.315) 5.041 9.048 ( -0.440 -0.159 1.811) 1.870 9.111 ( -0.964 -3.483 -3.166) 4.805 9.243 ( -8.039 3.791 4.089) 9.784 9.276 ( -1.455 -4.222 1.868) 4.841 9.320 ( 0.362 -2.800 1.738) 3.316 9.348 ( 1.070 3.893 -1.543) 4.322 9.397 ( 0.444 2.370 1.188) 2.688 9.444 ( 1.841 1.528 -1.928) 3.073 9.633 ( -6.437 0.032 3.788) 7.469 9.752 ( -5.699 0.613 5.210) 7.745 9.801 ( 1.081 -4.287 -6.013) 7.464 9.855 ( 5.173 0.155 -1.278) 5.331 9.956 ( -0.267 5.099 8.204) 9.663 10.062 ( -1.571 0.031 7.067) 7.240 10.114 ( -3.694 3.370 -4.448) 6.693 10.227 ( 7.888 3.891 -0.811) 8.833 10.283 ( 5.649 0.420 -4.737) 7.384 10.300 ( 4.819 -1.915 -3.909) 6.494 10.614 ( 0.019 -4.769 3.588) 5.968 10.672 ( 3.245 -3.762 -1.318) 5.140 10.748 ( -0.987 0.263 -4.116) 4.241 10.757 ( 1.266 -0.222 -3.189) 3.439 11.208 ( -6.021 2.111 15.370) 16.642 11.375 ( 0.301 -0.921 3.449) 3.582 11.529 ( -0.400 2.101 -3.379) 3.999 11.613 ( 4.527 -3.431 -12.807) 14.010 11.710 ( -3.858 -4.231 0.854) 5.789 11.809 ( -2.672 -5.037 -4.023) 6.978 11.942 ( -3.141 -3.430 -1.969) 5.051 11.991 ( -1.835 -9.310 4.516) 10.509 12.022 ( -0.903 -1.344 0.615) 1.732 12.062 ( -2.178 -8.483 -2.338) 9.065 12.150 ( -1.097 -3.503 -0.192) 3.676 12.210 ( 1.428 -3.941 -1.914) 4.608 12.561 ( -5.737 4.986 -5.485) 9.373 12.614 ( -3.057 11.278 4.054) 12.368 12.633 ( -1.521 -0.810 -5.161) 5.441 12.742 ( 3.249 10.349 -0.022) 10.848 12.894 ( -4.292 -2.577 -2.365) 5.537 12.986 ( 4.463 0.841 -1.906) 4.925 13.230 ( -4.403 3.482 3.631) 6.686 13.355 ( 2.805 2.444 -6.233) 7.259 13.741 ( -9.598 -1.934 4.017) 10.583 13.814 ( -2.636 1.720 2.346) 3.926 13.924 ( -7.925 -9.986 5.196) 13.767 14.097 ( 5.657 -7.236 -6.337) 11.159 14.188 ( 0.150 -0.640 3.964) 4.018 14.320 ( -0.061 -1.084 -6.167) 6.262 14.555 ( -0.729 7.579 0.025) 7.614 14.629 ( 4.498 6.133 -1.129) 7.689 15.044 ( -1.551 -0.738 9.022) 9.184 15.090 ( 1.580 -1.792 13.238) 13.452 15.156 ( 2.953 1.661 -2.824) 4.410 15.258 ( 1.165 -0.947 -10.085) 10.197 15.885 ( -0.247 2.063 4.741) 5.176 16.021 ( 7.116 1.722 -4.945) 8.835 16.158 ( -0.625 -5.992 -0.005) 6.025 16.221 ( 5.499 -3.410 -0.523) 6.491 20.071 ( -1.280 0.843 -0.296) 1.561 20.078 ( -0.669 1.030 -0.460) 1.311 20.396 ( -2.986 -7.059 4.085) 8.685 20.475 ( 0.060 -11.058 -3.812) 11.697 20.947 ( -4.696 8.080 1.726) 9.503 21.029 ( 1.067 7.294 -1.367) 7.498 21.091 ( -2.621 1.389 2.755) 4.048 21.174 ( 0.710 -1.859 -2.347) 3.077 21.239 ( 0.838 6.721 2.772) 7.319 21.323 ( 4.249 8.141 -5.718) 10.817 21.648 ( -1.299 4.714 1.534) 5.124 21.690 ( 0.635 5.579 -2.560) 6.171 21.956 ( -7.564 -4.174 -2.011) 8.870 22.044 ( 2.781 -1.813 2.709) 4.285 22.249 ( -5.476 -6.615 4.460) 9.676 22.479 ( 11.388 1.417 -2.682) 11.785 22.648 ( 0.461 -2.893 0.932) 3.074 22.696 ( 2.734 -5.157 -4.906) 7.624 23.006 ( 0.986 -3.060 5.013) 5.955 23.031 ( -1.275 -2.803 -2.426) 3.920 23.352 ( -7.755 5.639 5.010) 10.819 23.527 ( 1.856 3.170 -1.066) 3.825 23.800 ( -2.977 4.999 6.375) 8.631 24.104 ( 16.757 -1.929 -5.292) 17.678 25.805 ( -1.273 0.852 0.271) 1.556 25.814 ( -0.900 1.379 -0.657) 1.773 25.936 ( -3.847 -2.030 3.513) 5.591 26.035 ( 1.802 -3.956 -3.847) 5.805 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -26.294 9.788 6.284) 28.752 1.512 ( -21.380 9.897 14.009) 27.410 1.836 ( -10.436 -1.466 -12.799) 16.579 2.197 ( -7.190 0.464 -3.717) 8.107 2.309 ( -5.879 -6.787 1.833) 9.164 2.353 ( -8.751 -2.952 -6.080) 11.057 2.411 ( -2.326 -1.300 -1.554) 3.085 2.479 ( -10.198 -0.542 -1.048) 10.266 2.493 ( -1.613 -0.574 -2.662) 3.165 2.546 ( -6.011 1.307 -2.436) 6.616 2.615 ( 4.543 -2.312 -2.872) 5.851 2.654 ( 5.593 1.644 0.651) 5.866 2.672 ( 0.366 -0.044 -0.363) 0.517 2.777 ( -0.460 -1.436 0.084) 1.511 2.805 ( 1.000 1.653 -3.433) 3.939 2.843 ( 0.858 -0.258 0.480) 1.016 2.908 ( -3.942 -0.956 2.029) 4.535 2.931 ( -0.524 -0.411 2.658) 2.740 2.997 ( -3.739 1.419 1.059) 4.137 3.084 ( 1.716 0.257 1.853) 2.538 3.124 ( 0.133 2.872 8.313) 8.796 3.215 ( -4.267 0.952 -2.849) 5.218 3.302 ( 3.214 -0.412 -0.728) 3.321 3.344 ( -1.913 -0.723 2.102) 2.932 3.380 ( -5.378 0.321 0.034) 5.387 3.455 ( 1.474 4.534 -0.324) 4.779 3.517 ( -2.469 2.157 -5.710) 6.584 3.545 ( -1.025 -1.012 5.159) 5.356 3.623 ( 0.693 2.135 -1.319) 2.603 3.630 ( -2.706 3.819 2.926) 5.520 3.700 ( -0.108 2.930 1.243) 3.184 3.800 ( -2.465 5.117 -0.227) 5.684 3.857 ( -0.825 1.338 -3.074) 3.453 3.923 ( 0.489 -2.410 -2.127) 3.252 4.002 ( -6.234 3.337 -1.603) 7.250 4.044 ( -4.457 6.023 -1.077) 7.570 4.131 ( -0.496 -3.710 6.390) 7.406 4.216 ( 2.717 2.272 -7.861) 8.622 4.253 ( -6.880 2.873 3.288) 8.148 4.380 ( -0.874 1.361 4.307) 4.601 4.492 ( 2.855 -5.427 -0.966) 6.208 4.571 ( -2.268 -4.124 5.369) 7.140 4.630 ( -2.568 -3.140 1.979) 4.513 4.677 ( -1.571 -0.425 -0.920) 1.869 4.735 ( 3.241 -2.969 -3.949) 5.909 4.753 ( 2.861 -0.261 -4.482) 5.324 4.878 ( -2.134 -5.103 3.613) 6.607 4.936 ( -1.690 5.636 -8.194) 10.088 5.020 ( -6.365 -3.330 -1.193) 7.282 5.147 ( -6.831 1.210 -2.311) 7.312 5.205 ( 3.766 -7.969 1.277) 8.906 5.249 ( -0.751 -0.437 -6.165) 6.226 5.343 ( 9.674 -4.467 -10.145) 14.713 5.416 ( -7.218 3.366 5.092) 9.452 5.468 ( 3.650 -3.073 -1.404) 4.974 5.513 ( -0.242 5.200 -1.862) 5.529 5.687 ( 8.399 4.225 -2.327) 9.685 5.689 ( 10.730 3.004 2.821) 11.494 5.811 ( 8.309 2.854 6.605) 10.992 5.902 ( 5.979 -1.004 1.632) 6.279 5.915 ( 5.134 -1.602 2.814) 6.070 6.026 ( 4.856 -0.558 3.355) 5.929 6.111 ( 3.440 3.859 -4.202) 6.661 6.168 ( 6.826 2.949 -0.244) 7.439 6.240 ( 11.457 -1.187 -4.143) 12.241 6.324 ( 8.605 3.628 2.128) 9.578 6.483 ( 1.452 2.850 0.891) 3.320 6.536 ( 1.721 0.978 0.480) 2.036 6.676 ( -2.356 3.018 3.663) 5.299 6.728 ( -0.532 -2.726 -1.412) 3.116 6.861 ( -0.688 0.476 1.414) 1.643 6.944 ( -3.630 1.790 2.702) 4.866 7.030 ( -0.591 -2.840 1.551) 3.289 7.084 ( -3.016 0.310 -3.845) 4.896 7.135 ( -1.926 -0.755 -0.661) 2.172 7.221 ( 1.492 -9.093 1.408) 9.321 7.300 ( -3.432 1.327 -1.675) 4.043 7.394 ( -1.669 -1.468 -3.034) 3.761 7.434 ( -3.542 1.881 -2.909) 4.954 7.632 ( 1.301 -0.911 8.043) 8.198 7.669 ( 2.329 1.210 6.911) 7.392 7.712 ( 5.110 -1.597 -2.048) 5.732 7.785 ( 0.342 0.951 1.216) 1.582 7.889 ( 8.070 1.540 -0.938) 8.269 8.268 ( 1.715 0.789 0.966) 2.120 8.342 ( 3.693 1.967 -4.351) 6.036 8.475 ( 0.970 1.691 -1.248) 2.314 8.535 ( -0.753 -1.164 0.422) 1.449 8.580 ( 1.940 0.710 -0.003) 2.066 8.619 ( -2.820 2.608 2.583) 4.629 8.747 ( 1.206 -2.090 -2.087) 3.190 8.768 ( 1.095 -1.066 -2.030) 2.541 8.870 ( -0.213 0.574 2.809) 2.875 8.972 ( -2.283 4.295 -4.579) 6.680 9.006 ( -5.854 3.095 2.576) 7.105 9.043 ( -1.921 -1.006 -3.515) 4.130 9.159 ( -2.658 5.464 3.152) 6.845 9.250 ( -3.057 -3.899 -0.596) 4.990 9.273 ( -2.206 -0.669 1.618) 2.816 9.321 ( -2.352 4.926 -6.508) 8.494 9.356 ( -6.617 -2.226 3.652) 7.879 9.480 ( -8.422 -0.458 0.259) 8.439 9.522 ( 3.163 1.275 2.120) 4.016 9.720 ( -2.412 4.336 10.884) 11.962 9.755 ( 1.004 -1.722 -9.227) 9.440 9.979 ( 2.484 0.875 -0.846) 2.766 10.001 ( 5.819 -0.523 -0.386) 5.855 10.136 ( 5.852 -1.050 9.093) 10.864 10.158 ( 6.235 2.890 3.546) 7.733 10.273 ( 2.244 2.855 -5.233) 6.370 10.395 ( 5.052 -4.674 -2.129) 7.205 10.426 ( 9.218 -1.651 1.251) 9.448 10.590 ( -0.896 -4.551 -2.403) 5.224 10.696 ( 3.327 -6.415 -5.997) 9.391 10.774 ( 1.302 3.165 4.171) 5.395 10.829 ( 5.793 1.753 1.438) 6.221 11.156 ( -8.951 3.046 11.016) 14.517 11.330 ( -4.633 -5.661 -8.201) 10.989 11.525 ( -1.452 2.568 -5.001) 5.806 11.550 ( -2.360 -3.147 0.091) 3.934 11.605 ( -9.453 -4.693 -2.425) 10.829 11.711 ( -3.042 -2.189 -0.224) 3.754 11.861 ( -4.864 2.975 -1.088) 5.805 11.895 ( -1.218 -8.257 -3.592) 9.087 11.998 ( -3.192 -3.310 1.600) 4.869 12.018 ( -8.096 -1.918 -2.266) 8.624 12.101 ( -1.622 -1.112 0.943) 2.181 12.173 ( -4.610 -5.029 -3.962) 7.889 12.371 ( -11.809 6.227 -4.457) 14.074 12.410 ( -7.540 3.948 -6.397) 10.647 12.694 ( 2.025 -2.935 4.275) 5.567 12.801 ( -1.686 -4.588 5.395) 7.280 12.865 ( 3.145 1.686 1.178) 3.758 13.051 ( 3.148 3.977 -0.402) 5.088 13.168 ( -3.165 1.222 2.192) 4.039 13.320 ( -1.321 4.935 -7.877) 9.389 13.518 ( -13.704 -10.589 -3.202) 17.612 13.734 ( -13.116 -4.488 5.972) 15.094 13.808 ( -4.844 7.500 8.985) 12.667 14.030 ( -9.669 0.324 -9.193) 13.345 14.245 ( 1.944 -4.502 -4.959) 6.974 14.323 ( 6.240 -3.724 2.967) 7.849 14.566 ( 1.621 7.122 0.072) 7.304 14.683 ( 2.236 5.539 -1.250) 6.102 15.083 ( -0.046 -0.539 6.516) 6.539 15.158 ( 2.344 -0.194 -2.417) 3.373 15.222 ( 3.360 -2.147 -3.661) 5.413 15.283 ( 5.215 -2.670 4.533) 7.408 15.983 ( 6.393 1.968 5.756) 8.825 16.157 ( 9.857 1.326 -3.867) 10.670 16.195 ( 4.864 -4.001 0.614) 6.328 16.336 ( 7.092 -2.320 -1.210) 7.560 20.023 ( -2.636 1.152 -0.952) 3.030 20.058 ( -1.909 0.752 0.364) 2.084 20.323 ( -6.427 -4.645 0.886) 7.979 20.392 ( -5.936 -11.356 -6.138) 14.208 20.887 ( -2.599 6.328 2.185) 7.182 20.971 ( -3.328 4.783 -2.312) 6.269 21.076 ( -1.435 6.392 1.221) 6.664 21.183 ( 0.388 -1.390 -0.726) 1.615 21.233 ( -2.589 -0.278 0.633) 2.680 21.364 ( 3.256 15.875 -6.953) 17.635 21.602 ( -2.667 6.290 -1.364) 6.966 21.659 ( -1.540 0.637 -1.344) 2.142 21.866 ( -1.956 -2.443 1.003) 3.286 22.012 ( -4.250 3.258 1.047) 5.457 22.368 ( 9.145 -10.890 5.453) 15.230 22.614 ( 5.363 1.904 1.091) 5.794 22.656 ( 0.299 -2.156 -0.899) 2.355 22.743 ( 5.013 -5.085 -5.045) 8.743 22.981 ( 1.861 0.772 -3.136) 3.728 23.106 ( -0.905 -5.479 4.628) 7.229 23.296 ( -1.401 4.599 9.683) 10.811 23.537 ( 3.620 -4.508 3.220) 6.618 23.985 ( 14.196 11.406 9.293) 20.445 24.405 ( 18.772 -1.749 -4.364) 19.352 25.765 ( -2.741 1.045 -0.115) 2.936 25.778 ( -2.687 0.867 -0.207) 2.831 25.869 ( -5.599 -1.533 2.793) 6.442 26.008 ( -2.052 -5.391 -5.050) 7.666 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -14.283 9.386 16.624) 23.842 1.274 ( -17.470 11.999 20.608) 29.561 1.610 ( -2.203 -1.000 -18.341) 18.500 1.914 ( -14.800 4.110 -9.653) 18.141 1.979 ( -21.057 15.113 1.180) 25.945 2.170 ( -7.639 -0.640 -3.734) 8.527 2.358 ( -4.040 -8.988 -0.740) 9.882 2.393 ( 0.416 -3.948 7.605) 8.579 2.450 ( -5.036 -3.820 -3.780) 7.365 2.506 ( 2.719 0.397 1.825) 3.299 2.627 ( 0.191 0.102 -1.592) 1.607 2.681 ( 1.855 -2.237 -0.609) 2.969 2.726 ( -1.616 1.941 0.472) 2.569 2.746 ( 0.771 1.885 -2.931) 3.569 2.806 ( 2.337 3.586 -1.925) 4.693 2.855 ( 0.066 4.134 5.919) 7.220 2.879 ( -2.259 2.194 4.397) 5.409 2.943 ( -1.646 1.016 -1.273) 2.315 3.027 ( -0.573 1.062 0.346) 1.255 3.088 ( 0.188 -1.855 -1.683) 2.512 3.170 ( 1.497 -2.388 -0.018) 2.818 3.192 ( 0.164 2.728 4.336) 5.126 3.296 ( -1.153 0.226 0.903) 1.482 3.315 ( 2.723 3.555 -0.696) 4.532 3.369 ( -1.564 0.523 -0.512) 1.727 3.396 ( -2.860 1.108 -5.723) 6.493 3.482 ( -0.618 -0.852 -1.201) 1.597 3.514 ( -2.693 -4.518 2.811) 5.964 3.541 ( -2.666 0.676 0.866) 2.883 3.624 ( -4.189 5.111 -5.230) 8.427 3.750 ( 2.633 2.502 0.044) 3.633 3.770 ( 6.330 0.854 -0.149) 6.389 3.860 ( -3.738 3.073 -6.621) 8.201 3.922 ( -1.330 2.545 -2.636) 3.898 3.924 ( -7.907 0.219 -1.180) 7.997 3.957 ( 4.680 5.391 4.100) 8.233 4.085 ( -6.048 -2.953 4.452) 8.069 4.159 ( -0.765 1.120 1.425) 1.967 4.194 ( -1.171 -1.915 -2.705) 3.515 4.423 ( 0.382 -4.514 2.384) 5.119 4.501 ( -8.469 -3.414 -2.505) 9.469 4.557 ( -0.258 -1.181 -2.848) 3.093 4.613 ( -0.790 -0.072 0.606) 0.999 4.617 ( 5.279 -2.289 1.333) 5.907 4.692 ( -3.621 0.534 1.997) 4.170 4.743 ( -5.664 -3.883 -4.820) 8.390 4.847 ( -6.037 0.600 0.579) 6.094 4.905 ( 4.132 -1.336 3.816) 5.781 4.937 ( -4.756 1.710 -1.129) 5.179 5.032 ( 0.596 -5.456 -3.274) 6.391 5.180 ( -0.887 -6.774 -2.648) 7.327 5.288 ( -0.995 -5.275 -1.312) 5.526 5.384 ( 6.516 -4.986 -0.833) 8.247 5.414 ( 5.175 0.090 -2.713) 5.844 5.527 ( 0.943 -0.795 4.306) 4.479 5.641 ( 9.784 -1.569 -6.149) 11.662 5.809 ( 6.824 4.283 -1.051) 8.125 5.872 ( 5.685 7.607 2.780) 9.895 5.955 ( 4.883 2.086 1.592) 5.543 5.997 ( 3.873 1.969 0.624) 4.389 6.074 ( 6.462 1.233 2.961) 7.214 6.119 ( 4.270 -5.453 2.977) 7.538 6.174 ( 5.139 0.369 0.371) 5.165 6.286 ( 4.969 3.294 -0.464) 5.980 6.347 ( 3.039 -0.605 -4.789) 5.704 6.386 ( -2.445 3.776 0.778) 4.565 6.552 ( 4.461 -1.070 0.745) 4.648 6.597 ( 3.551 3.801 0.065) 5.202 6.637 ( -4.894 -0.815 3.153) 5.879 6.771 ( 7.673 5.869 -3.537) 10.287 6.814 ( -5.302 0.368 0.103) 5.315 6.857 ( -4.548 3.772 1.517) 6.100 7.032 ( -0.292 -2.630 3.706) 4.554 7.065 ( 0.763 0.413 0.180) 0.886 7.114 ( -1.932 -1.141 -0.081) 2.245 7.226 ( -1.652 -2.854 0.281) 3.309 7.247 ( -2.588 -1.345 -4.401) 5.280 7.290 ( 2.533 -3.788 -5.514) 7.153 7.420 ( -3.090 -2.017 4.962) 6.183 7.618 ( -3.496 -4.503 -0.289) 5.708 7.778 ( 2.599 6.356 5.132) 8.572 7.817 ( 5.985 4.344 1.148) 7.484 7.843 ( 4.807 3.744 1.787) 6.349 8.081 ( 13.301 3.230 -1.228) 13.742 8.318 ( 1.976 0.848 2.613) 3.384 8.401 ( 3.057 1.694 -2.101) 4.078 8.437 ( -0.710 -4.431 -6.093) 7.567 8.528 ( -1.414 -0.592 1.383) 2.064 8.551 ( -5.502 1.570 5.335) 7.823 8.647 ( -2.663 4.419 -1.296) 5.319 8.670 ( -0.227 3.025 0.235) 3.042 8.782 ( 2.399 -1.816 -0.605) 3.069 8.875 ( -1.075 2.232 -1.150) 2.731 8.903 ( -1.262 4.310 -3.196) 5.512 8.950 ( -1.068 -1.507 2.890) 3.429 9.028 ( 1.208 3.869 -4.665) 6.180 9.065 ( -8.754 1.256 -1.304) 8.940 9.161 ( -5.077 0.203 0.225) 5.086 9.230 ( -2.298 5.581 -3.079) 6.775 9.265 ( -4.365 -3.801 5.689) 8.116 9.299 ( 1.585 -3.923 0.624) 4.277 9.387 ( -2.292 1.363 1.408) 3.016 9.552 ( -0.782 1.372 -0.498) 1.656 9.693 ( -1.176 -1.990 -6.612) 7.005 9.779 ( -0.563 6.596 7.077) 9.691 9.967 ( -0.754 2.282 -1.617) 2.897 10.191 ( 11.843 -2.854 -0.939) 12.218 10.244 ( 6.377 -1.820 -0.776) 6.677 10.323 ( 3.520 -2.336 4.866) 6.444 10.350 ( 5.120 -4.700 7.402) 10.153 10.467 ( 4.321 -2.112 -2.827) 5.579 10.520 ( -1.453 -6.677 2.570) 7.301 10.590 ( 4.141 -1.892 -3.528) 5.759 10.718 ( 4.529 -1.268 -8.380) 9.610 10.793 ( -1.433 -2.934 2.740) 4.262 10.921 ( -0.180 0.018 1.395) 1.406 11.064 ( -4.999 -0.937 5.850) 7.752 11.144 ( -9.286 -3.215 -2.970) 10.266 11.369 ( -7.109 0.500 -3.905) 8.126 11.455 ( 0.147 0.767 -2.525) 2.643 11.583 ( 0.983 0.350 1.002) 1.447 11.698 ( -1.845 -1.253 0.120) 2.233 11.764 ( -8.429 2.170 1.299) 8.800 11.798 ( -10.116 1.910 -0.123) 10.296 11.845 ( -1.119 -10.408 -4.730) 11.487 11.984 ( -1.132 7.296 -1.292) 7.496 12.021 ( -7.227 -1.213 0.615) 7.354 12.067 ( -2.438 -1.177 -2.970) 4.018 12.115 ( -8.535 -0.279 -3.127) 9.095 12.295 ( -3.528 3.808 -4.908) 7.144 12.734 ( -2.182 -7.780 5.694) 9.885 12.815 ( 0.302 -8.654 -0.084) 8.660 12.917 ( 0.195 -3.824 6.294) 7.367 13.065 ( -3.448 7.186 0.985) 8.031 13.154 ( -3.629 -2.880 2.579) 5.303 13.204 ( -1.090 1.156 -9.336) 9.470 13.325 ( 0.299 0.423 -6.323) 6.344 13.522 ( -12.627 0.294 2.187) 12.818 13.726 ( -7.957 5.645 -1.090) 9.817 13.803 ( -7.843 0.291 4.895) 9.250 14.282 ( 3.289 -0.912 -0.977) 3.550 14.414 ( 2.392 1.399 -0.731) 2.866 14.607 ( 1.672 3.925 2.287) 4.841 14.698 ( 0.257 4.397 -0.914) 4.498 15.111 ( -1.300 -0.218 4.946) 5.119 15.173 ( 2.125 0.876 -4.681) 5.215 15.283 ( 5.224 -3.479 -1.455) 6.443 15.380 ( 1.543 -6.744 3.002) 7.542 16.146 ( 6.081 1.955 5.809) 8.634 16.291 ( 6.740 0.457 -2.962) 7.376 16.322 ( 6.801 -0.887 1.404) 7.000 16.440 ( 4.951 -1.218 -2.189) 5.549 19.981 ( -1.192 1.101 -0.247) 1.642 20.021 ( -1.953 0.850 -0.108) 2.132 20.201 ( -6.371 -3.323 -2.378) 7.569 20.214 ( -7.675 -4.082 -2.537) 9.056 20.881 ( -0.324 4.633 2.483) 5.267 20.923 ( -0.558 3.902 -1.568) 4.242 21.050 ( -1.846 9.194 1.563) 9.506 21.150 ( -1.981 2.080 -3.617) 4.618 21.190 ( -2.649 -1.946 2.702) 4.255 21.332 ( -1.130 17.411 -7.984) 19.187 21.564 ( -0.960 -0.179 2.190) 2.398 21.650 ( 0.460 2.645 -0.606) 2.752 21.863 ( 0.879 -0.171 0.916) 1.281 21.967 ( -2.063 1.468 0.814) 2.660 22.512 ( 4.954 -9.082 1.319) 10.429 22.662 ( 0.979 -1.592 -0.131) 1.873 22.716 ( 3.394 -0.366 0.940) 3.541 22.796 ( 3.407 -7.572 -1.927) 8.524 22.992 ( 1.178 -3.576 -4.204) 5.643 23.009 ( -6.613 -2.038 -2.868) 7.490 23.480 ( 8.843 4.666 11.982) 15.605 23.681 ( 8.418 -4.619 -0.769) 9.633 24.380 ( 19.074 4.552 14.390) 24.323 24.693 ( 14.921 -1.002 -3.769) 15.423 25.718 ( -2.071 0.728 -0.080) 2.197 25.725 ( -2.740 0.493 0.015) 2.784 25.780 ( -5.158 -0.921 1.296) 5.398 25.879 ( -8.420 -4.912 -4.870) 10.897 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 0.509 9.429 7.983) 12.365 1.359 ( -0.192 -8.868 -10.131) 13.465 1.453 ( -1.414 12.040 8.145) 14.604 1.611 ( 0.192 -1.568 -6.515) 6.703 2.097 ( -0.891 -0.004 -2.330) 2.495 2.119 ( 0.499 -1.017 -4.121) 4.274 2.224 ( 2.361 -2.254 -0.744) 3.348 2.262 ( 0.011 -5.461 -4.303) 6.953 2.578 ( -3.172 9.343 -0.084) 9.867 2.589 ( 4.716 4.890 -2.013) 7.085 2.639 ( -1.554 0.817 0.060) 1.757 2.651 ( 2.575 -1.915 -1.002) 3.362 2.754 ( -2.189 9.610 8.371) 12.932 2.818 ( 0.728 2.113 2.083) 3.055 2.884 ( -0.860 2.867 4.711) 5.582 2.915 ( -2.788 3.111 1.308) 4.377 2.975 ( 0.347 2.970 3.060) 4.279 3.005 ( 3.531 4.547 -1.368) 5.917 3.043 ( -2.497 3.608 -0.379) 4.404 3.070 ( 2.526 -2.445 -1.343) 3.764 3.169 ( 2.756 -4.326 0.619) 5.167 3.196 ( -4.170 -4.821 -1.760) 6.613 3.256 ( -2.027 0.333 -0.620) 2.146 3.290 ( -1.229 -2.555 -4.135) 5.013 3.388 ( -1.400 1.926 6.835) 7.238 3.399 ( 3.716 0.459 0.528) 3.781 3.420 ( -0.467 -3.119 1.221) 3.381 3.443 ( 1.576 -1.729 -1.456) 2.756 3.478 ( 0.059 1.995 2.126) 2.916 3.647 ( -0.450 -8.487 5.990) 10.397 3.781 ( 3.160 8.723 -2.476) 9.603 3.792 ( -1.655 0.860 0.485) 1.927 3.839 ( -3.397 0.587 -0.752) 3.528 3.887 ( 0.527 2.173 -2.885) 3.650 3.959 ( 2.415 6.538 2.558) 7.425 4.020 ( -1.398 4.328 -1.306) 4.732 4.108 ( -1.016 0.472 0.589) 1.265 4.134 ( 4.607 -5.849 -1.218) 7.545 4.187 ( -4.128 -8.711 -0.211) 9.642 4.230 ( 1.765 -4.721 0.535) 5.069 4.397 ( -2.282 -0.830 0.467) 2.472 4.448 ( 1.271 -5.242 -6.567) 8.499 4.595 ( -1.301 1.121 4.753) 5.054 4.621 ( 1.047 -0.020 1.742) 2.032 4.703 ( -5.007 2.225 3.225) 6.358 4.737 ( 0.219 -0.625 1.746) 1.868 4.810 ( 6.147 4.290 -5.062) 9.045 4.842 ( -2.514 0.895 -6.549) 7.072 4.916 ( -0.633 2.179 -0.402) 2.304 4.993 ( 4.493 -5.126 -4.987) 8.446 5.039 ( 1.675 -5.204 0.449) 5.485 5.100 ( -3.684 -8.178 -5.622) 10.586 5.390 ( -0.098 -1.233 -0.704) 1.423 5.403 ( 1.188 -2.567 -1.366) 3.141 5.619 ( -0.264 3.699 3.875) 5.364 5.672 ( -0.989 -1.360 -1.773) 2.443 5.944 ( -0.938 1.313 6.069) 6.280 5.996 ( -1.882 -4.713 6.552) 8.287 6.068 ( -1.159 5.322 0.133) 5.449 6.091 ( 2.599 2.785 -0.650) 3.865 6.113 ( 1.085 3.882 -4.994) 6.418 6.172 ( -0.069 -2.166 -7.273) 7.589 6.202 ( -2.178 -1.209 3.314) 4.146 6.252 ( 5.432 -4.425 -2.323) 7.382 6.441 ( -0.477 6.103 1.108) 6.221 6.457 ( -0.127 6.103 -0.533) 6.127 6.537 ( -0.974 -3.553 1.810) 4.105 6.559 ( 0.708 -4.598 -0.417) 4.671 6.767 ( 1.827 6.793 1.933) 7.295 6.791 ( -5.917 3.370 -0.564) 6.833 6.840 ( -1.280 3.877 5.002) 6.457 6.932 ( 1.593 -3.509 1.082) 4.003 6.956 ( -1.259 -0.337 1.373) 1.893 6.998 ( -4.260 -5.186 4.175) 7.904 7.026 ( 0.696 -1.094 -5.950) 6.090 7.098 ( 4.274 -3.911 -5.339) 7.878 7.298 ( -8.098 2.202 2.218) 8.680 7.324 ( 6.128 -0.743 0.138) 6.174 7.367 ( 5.635 -0.686 1.987) 6.014 7.429 ( -3.130 -6.187 -4.230) 8.122 7.958 ( 0.602 5.521 2.426) 6.061 7.989 ( 3.335 2.298 -0.365) 4.066 8.119 ( 1.872 9.150 5.760) 10.973 8.214 ( -4.547 1.223 -2.278) 5.230 8.339 ( -3.228 -0.857 3.576) 4.893 8.372 ( 1.209 -3.218 0.654) 3.499 8.492 ( 2.109 0.972 -0.367) 2.351 8.495 ( 3.002 0.732 -0.769) 3.184 8.594 ( -1.278 4.546 1.538) 4.966 8.633 ( -1.086 0.467 -1.518) 1.925 8.753 ( 2.273 0.378 1.584) 2.796 8.773 ( -0.090 -1.991 0.125) 1.997 8.881 ( -0.885 1.084 -0.555) 1.505 8.905 ( -3.034 -0.669 -2.730) 4.136 8.953 ( -3.542 1.438 3.064) 4.899 8.967 ( -1.336 -0.663 2.226) 2.680 9.060 ( 0.160 2.861 0.439) 2.898 9.112 ( -0.714 3.352 -3.496) 4.896 9.135 ( -1.844 -1.516 3.461) 4.204 9.215 ( 1.647 -3.931 -3.570) 5.560 9.396 ( 3.748 7.709 6.406) 10.701 9.465 ( 1.089 1.895 -2.686) 3.463 9.518 ( -5.303 1.682 1.405) 5.738 9.625 ( -0.606 -4.586 1.082) 4.751 9.759 ( -0.237 3.710 -1.161) 3.895 9.953 ( 2.539 -7.752 -11.622) 14.199 10.183 ( -9.485 -2.146 6.086) 11.472 10.216 ( -6.354 -4.723 3.847) 8.802 10.351 ( 7.804 -1.952 -0.535) 8.062 10.364 ( 9.632 -3.132 -2.076) 10.339 10.431 ( -0.372 -1.491 -1.323) 2.028 10.443 ( -2.568 -2.632 -2.480) 4.435 10.656 ( -3.239 1.861 -0.837) 3.828 10.661 ( 4.296 1.957 -1.181) 4.866 10.833 ( -7.576 1.108 -0.296) 7.662 10.849 ( 8.638 1.690 -2.118) 9.053 10.938 ( -0.320 -4.332 3.537) 5.601 10.993 ( 1.902 -7.049 -2.330) 7.664 11.444 ( 3.590 2.525 -1.169) 4.542 11.456 ( -5.709 1.214 -2.567) 6.376 11.588 ( -5.679 2.856 -0.428) 6.371 11.606 ( 5.788 3.853 -1.974) 7.228 11.666 ( 1.688 -6.064 1.551) 6.483 11.694 ( 2.320 -5.358 -0.303) 5.846 11.878 ( 2.349 2.700 3.915) 5.304 11.915 ( 1.055 -2.126 1.274) 2.694 11.934 ( -6.265 2.635 -0.619) 6.825 11.975 ( -0.798 -1.570 -3.035) 3.509 12.254 ( 1.954 9.086 -0.812) 9.329 12.299 ( 0.432 5.805 -4.954) 7.643 12.555 ( -1.351 -6.635 0.974) 6.841 12.629 ( 3.773 -11.709 -6.211) 13.781 12.997 ( 1.429 3.836 8.774) 9.682 13.038 ( 0.897 -0.708 6.699) 6.796 13.173 ( -0.352 2.506 -4.285) 4.976 13.200 ( -0.864 0.108 -6.001) 6.064 13.377 ( 0.290 3.477 0.361) 3.508 13.426 ( 2.917 -1.216 -4.175) 5.236 13.660 ( -1.574 0.020 2.156) 2.670 13.689 ( -1.650 -2.543 -0.240) 3.041 14.406 ( 0.632 4.803 5.406) 7.259 14.458 ( -0.230 0.108 0.965) 0.998 14.695 ( -0.448 2.419 1.536) 2.900 14.718 ( -1.544 0.210 -0.160) 1.567 15.121 ( -2.877 2.732 5.199) 6.540 15.191 ( -1.438 -2.612 3.618) 4.688 15.239 ( 0.648 -0.392 -2.615) 2.723 15.307 ( 1.973 -5.041 -4.323) 6.928 16.288 ( -0.001 3.002 4.818) 5.677 16.338 ( 0.451 -2.050 1.903) 2.833 16.408 ( 0.353 1.596 -2.228) 2.763 16.442 ( -0.165 -1.766 -3.575) 3.991 20.006 ( 0.964 1.284 0.213) 1.620 20.017 ( 0.365 0.413 -0.940) 1.089 20.091 ( -0.530 -0.458 0.297) 0.761 20.103 ( -1.122 -1.472 -0.892) 2.055 20.962 ( -1.297 4.530 1.967) 5.106 20.992 ( 0.856 3.496 -1.156) 3.781 21.068 ( -1.797 -2.702 1.768) 3.696 21.096 ( 1.209 -3.416 -1.201) 3.817 21.364 ( 3.388 12.783 7.185) 15.050 21.490 ( 0.025 3.572 -1.960) 4.075 21.591 ( -1.465 4.079 -1.265) 4.515 21.662 ( -1.946 -0.793 -4.350) 4.831 21.929 ( 0.516 3.462 2.035) 4.049 21.968 ( -0.581 1.749 -2.210) 2.877 22.415 ( 0.810 -6.496 1.346) 6.684 22.495 ( -1.479 -11.716 -6.585) 13.521 22.755 ( 1.774 0.927 1.590) 2.557 22.773 ( 2.607 -0.711 0.196) 2.710 22.883 ( -1.161 -1.130 -3.051) 3.455 22.892 ( -1.696 -2.043 -3.795) 4.632 23.681 ( -0.154 2.327 5.301) 5.791 23.722 ( 0.690 -2.153 1.362) 2.640 24.675 ( 0.593 2.636 5.523) 6.148 24.755 ( 0.217 -5.229 -3.027) 6.046 25.707 ( 0.234 0.571 0.013) 0.618 25.707 ( -0.369 0.580 -0.008) 0.688 25.719 ( 0.208 -0.634 0.103) 0.675 25.720 ( -0.449 -0.699 0.020) 0.831 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 11.951 4.023 7.258) 14.550 1.384 ( 11.133 -0.666 -8.364) 13.940 1.663 ( 15.592 9.118 11.414) 21.366 1.748 ( 16.926 1.546 -7.638) 18.634 2.113 ( 3.197 0.583 0.492) 3.287 2.148 ( 4.429 -2.219 -1.906) 5.307 2.238 ( 1.736 -5.069 -3.682) 6.501 2.271 ( 1.722 -8.376 -3.255) 9.150 2.482 ( -3.716 5.316 0.195) 6.489 2.568 ( -4.261 -3.391 -1.171) 5.570 2.622 ( -0.804 5.556 -0.914) 5.687 2.692 ( 0.437 -1.076 -0.388) 1.225 2.788 ( -2.554 4.872 1.864) 5.808 2.835 ( -5.087 2.237 4.347) 7.056 2.850 ( 1.093 5.660 -2.629) 6.335 2.899 ( -8.158 2.723 0.585) 8.620 2.923 ( 3.141 0.820 1.838) 3.731 3.021 ( -7.849 -4.351 -0.458) 8.986 3.026 ( -1.637 2.772 1.941) 3.759 3.062 ( 6.897 1.291 -2.724) 7.527 3.168 ( 1.907 0.610 -0.540) 2.073 3.214 ( 1.477 -2.873 -0.064) 3.231 3.313 ( 3.568 -0.048 2.369) 4.283 3.328 ( 2.415 -0.691 -0.002) 2.512 3.370 ( 3.445 0.769 0.473) 3.562 3.386 ( 1.798 -3.200 1.441) 3.943 3.497 ( 4.885 -1.066 -3.274) 5.976 3.533 ( 6.022 -1.292 0.950) 6.232 3.579 ( 4.554 10.907 11.792) 16.696 3.653 ( 3.846 5.947 -10.738) 12.863 3.743 ( 0.042 -0.476 2.565) 2.609 3.790 ( -3.550 -2.248 0.131) 4.204 3.891 ( 5.510 2.413 2.566) 6.539 3.900 ( 2.689 5.453 -3.178) 6.860 3.984 ( 1.225 6.807 -1.666) 7.114 4.043 ( 0.217 3.438 2.838) 4.463 4.123 ( 2.012 2.121 3.153) 4.300 4.175 ( 4.555 -5.388 -1.020) 7.129 4.202 ( 4.849 -9.776 -2.821) 11.271 4.301 ( 5.497 -15.206 -3.697) 16.587 4.417 ( 4.504 6.221 3.359) 8.383 4.509 ( 3.945 -3.883 2.729) 6.172 4.549 ( -4.068 5.057 -2.154) 6.839 4.639 ( -1.077 -1.747 -0.463) 2.104 4.655 ( -0.637 1.756 0.726) 2.004 4.721 ( -2.946 -6.175 0.827) 6.891 4.834 ( 1.477 3.627 -0.525) 3.951 4.887 ( 3.679 2.770 -0.271) 4.613 4.925 ( 6.962 2.106 -1.175) 7.367 4.993 ( -0.889 -8.841 -7.180) 11.424 5.026 ( 0.538 -3.362 -2.110) 4.005 5.094 ( 0.160 -7.159 2.469) 7.575 5.309 ( -7.281 -0.131 -1.385) 7.413 5.360 ( -3.697 -3.736 -0.438) 5.274 5.573 ( -4.735 3.387 1.637) 6.048 5.613 ( -3.158 -0.328 -0.415) 3.202 5.953 ( -6.042 3.527 0.992) 7.066 5.965 ( -2.254 1.268 6.012) 6.544 6.009 ( -2.606 0.104 -0.307) 2.626 6.035 ( -6.854 0.865 0.244) 6.913 6.060 ( -5.707 1.826 0.312) 6.000 6.096 ( -3.205 -2.549 -3.519) 5.399 6.147 ( -5.124 1.126 -1.420) 5.435 6.216 ( -7.238 -4.006 -3.235) 8.883 6.456 ( 3.211 6.527 0.485) 7.291 6.470 ( -3.190 4.603 -1.429) 5.780 6.546 ( -0.154 -1.090 0.438) 1.184 6.604 ( 0.965 -3.995 2.391) 4.755 6.718 ( -2.214 8.024 0.835) 8.366 6.791 ( -0.145 3.287 2.295) 4.012 6.870 ( 1.504 1.981 6.993) 7.422 6.908 ( -1.479 -1.683 -1.632) 2.772 6.964 ( -0.410 -4.982 -2.342) 5.520 6.988 ( 0.884 -3.583 1.204) 3.882 7.031 ( 0.872 0.255 0.215) 0.934 7.138 ( 0.834 -5.979 -2.019) 6.366 7.178 ( -1.377 3.804 1.855) 4.450 7.258 ( -5.189 -5.317 -3.311) 8.134 7.472 ( 6.001 1.588 0.132) 6.209 7.522 ( 5.386 -3.014 1.794) 6.428 7.897 ( -7.664 6.012 0.005) 9.741 7.963 ( -5.299 -1.105 -4.683) 7.157 8.056 ( -6.634 6.612 0.443) 9.377 8.095 ( -8.076 3.639 1.605) 9.002 8.292 ( -4.696 0.238 2.235) 5.207 8.318 ( -4.505 -1.925 -0.746) 4.956 8.491 ( 1.973 3.866 -1.218) 4.508 8.535 ( 1.968 -1.111 -1.213) 2.565 8.606 ( -0.660 -0.117 3.739) 3.798 8.627 ( 0.189 -2.509 1.324) 2.844 8.708 ( -4.295 1.810 -1.203) 4.814 8.756 ( -2.726 -1.997 -1.424) 3.667 8.877 ( 3.327 2.359 0.398) 4.098 8.922 ( 3.666 -0.558 1.945) 4.187 8.975 ( 2.098 1.167 4.437) 5.045 9.009 ( 1.875 -1.603 2.969) 3.861 9.080 ( 1.093 3.587 0.759) 3.825 9.150 ( 3.039 -2.332 3.754) 5.363 9.199 ( 6.812 4.044 0.539) 7.941 9.261 ( 5.184 -1.745 -2.450) 5.993 9.398 ( -2.939 2.886 -4.557) 6.143 9.441 ( -0.743 -0.995 -3.205) 3.437 9.550 ( 3.016 12.452 11.350) 17.117 9.723 ( 1.679 9.843 -7.228) 12.327 9.798 ( 6.344 -8.776 9.644) 14.501 9.938 ( 3.654 -9.021 -10.300) 14.171 10.034 ( -12.699 -3.865 6.322) 14.703 10.051 ( -8.506 -5.171 6.310) 11.786 10.366 ( -2.702 -1.562 -2.504) 4.001 10.373 ( -2.542 -2.928 -3.846) 5.461 10.407 ( -0.284 -1.613 -1.218) 2.041 10.432 ( -3.043 -3.265 0.961) 4.565 10.584 ( -1.297 5.005 -2.612) 5.793 10.687 ( -4.645 -4.027 -3.310) 6.982 10.837 ( 5.432 6.263 -0.793) 8.328 10.917 ( -1.590 -0.465 0.020) 1.657 11.064 ( 5.918 -3.745 0.561) 7.026 11.077 ( 14.507 -4.825 1.206) 15.336 11.399 ( 1.545 6.297 -1.500) 6.655 11.485 ( -1.851 4.519 -1.390) 5.077 11.534 ( 4.694 -6.912 -0.540) 8.373 11.626 ( -2.788 -7.430 -3.879) 8.833 11.731 ( 4.970 3.140 1.541) 6.078 11.790 ( 8.603 -2.304 -1.697) 9.067 11.841 ( 1.160 3.607 0.115) 3.791 11.927 ( 3.623 -4.980 0.189) 6.161 12.048 ( 5.786 0.180 1.451) 5.968 12.056 ( 6.248 -0.605 1.298) 6.410 12.244 ( 1.175 11.183 -2.696) 11.563 12.345 ( 6.539 7.456 -1.955) 10.108 12.536 ( -0.437 -9.477 0.052) 9.487 12.650 ( 2.762 -14.047 -5.976) 15.513 13.061 ( 2.027 4.736 2.658) 5.797 13.105 ( -1.972 0.034 5.101) 5.469 13.155 ( 0.716 -0.181 -5.624) 5.672 13.168 ( 3.146 -1.504 -5.105) 6.183 13.430 ( 7.453 7.422 -4.602) 11.481 13.518 ( 11.342 -1.495 0.627) 11.457 13.736 ( 7.830 0.673 2.881) 8.370 13.774 ( 7.441 -3.666 2.634) 8.703 14.386 ( -5.326 4.631 0.041) 7.058 14.424 ( -3.641 0.965 0.739) 3.839 14.684 ( -2.055 2.073 1.474) 3.270 14.699 ( -1.170 0.707 2.791) 3.108 15.087 ( -4.638 2.674 6.189) 8.183 15.157 ( -5.860 -4.338 5.179) 8.943 15.216 ( -0.062 2.880 -4.018) 4.943 15.306 ( 0.557 -6.317 -3.498) 7.242 16.255 ( -6.451 3.017 4.106) 8.221 16.288 ( -5.315 0.598 -3.044) 6.154 16.345 ( -6.336 -1.656 1.758) 6.781 16.353 ( -6.493 -1.523 -3.779) 7.665 20.014 ( 0.976 1.498 -0.994) 2.046 20.032 ( 1.789 -0.174 -0.932) 2.025 20.126 ( 3.524 -0.332 1.226) 3.746 20.147 ( 4.912 -2.278 0.979) 5.502 20.962 ( 0.028 4.127 1.512) 4.395 21.002 ( 0.825 2.126 -0.289) 2.298 21.083 ( 2.272 -0.065 1.582) 2.769 21.138 ( 3.790 -3.320 -0.097) 5.039 21.400 ( -3.438 12.212 -7.785) 14.885 21.475 ( 2.909 9.027 3.596) 10.143 21.598 ( -0.941 -0.149 -0.592) 1.122 21.643 ( 2.613 -0.554 4.297) 5.060 21.914 ( -2.298 3.853 -0.527) 4.517 21.966 ( 0.773 -0.231 0.707) 1.073 22.399 ( -4.153 -8.068 -2.114) 9.317 22.429 ( -2.176 -11.368 1.703) 11.699 22.735 ( -3.192 0.452 -2.654) 4.176 22.758 ( -1.916 -1.560 -4.191) 4.865 22.905 ( 3.885 0.750 0.667) 4.013 22.933 ( 5.925 -1.831 1.266) 6.329 23.626 ( -7.659 1.888 3.091) 8.472 23.655 ( -6.902 -1.069 -0.799) 7.029 24.576 ( -13.518 0.951 2.325) 13.749 24.598 ( -13.717 -1.240 -2.866) 14.068 25.731 ( 2.504 1.129 0.422) 2.779 25.744 ( 3.297 0.990 -0.334) 3.458 25.764 ( 4.449 -1.633 1.063) 4.857 25.779 ( 5.581 -1.955 -0.980) 5.994 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 19.454 5.814 -4.023) 20.699 1.665 ( 18.352 1.607 3.499) 18.751 1.987 ( 13.121 10.749 -11.504) 20.495 2.056 ( 15.693 6.689 12.997) 21.446 2.183 ( 2.887 -3.721 -2.176) 5.188 2.234 ( 4.545 -3.739 0.855) 5.947 2.282 ( 4.872 -9.200 5.349) 11.704 2.298 ( 5.582 -11.115 -3.791) 13.003 2.440 ( -2.418 0.730 2.519) 3.567 2.490 ( -4.838 -4.547 1.103) 6.730 2.586 ( -5.494 5.539 0.479) 7.817 2.654 ( -2.580 0.014 1.761) 3.124 2.704 ( -7.333 0.565 0.928) 7.413 2.733 ( -7.126 2.486 0.447) 7.560 2.786 ( -4.863 -1.053 2.781) 5.701 2.828 ( -2.109 -4.183 4.224) 6.307 2.890 ( 1.014 3.213 -3.158) 4.618 2.951 ( -0.066 -2.047 -3.016) 3.645 3.116 ( 4.152 5.363 -1.597) 6.968 3.147 ( 2.512 2.116 -3.607) 4.878 3.189 ( -1.530 -0.291 1.210) 1.973 3.209 ( 1.276 -2.353 1.675) 3.157 3.350 ( 2.750 0.263 -0.677) 2.844 3.395 ( 4.874 -3.798 1.044) 6.266 3.417 ( 1.918 4.594 4.463) 6.686 3.502 ( 3.120 -2.959 -2.064) 4.770 3.536 ( 2.570 3.385 -3.045) 5.228 3.591 ( 2.515 -1.136 -4.854) 5.583 3.691 ( -0.574 3.977 0.858) 4.108 3.729 ( 5.167 3.690 3.100) 7.066 3.767 ( 5.442 5.321 -4.846) 9.023 3.798 ( 2.260 -0.893 2.032) 3.167 3.935 ( 3.072 4.404 -2.847) 6.077 3.969 ( 2.713 -0.085 -2.805) 3.904 4.048 ( 4.190 8.642 2.226) 9.859 4.099 ( 6.873 12.347 6.735) 15.654 4.176 ( 3.674 0.775 -1.281) 3.967 4.262 ( 5.778 -3.609 -8.255) 10.703 4.319 ( 4.433 -7.775 2.116) 9.197 4.368 ( 0.126 -11.379 0.732) 11.404 4.448 ( 1.340 8.086 -3.097) 8.762 4.517 ( 0.915 2.661 4.222) 5.074 4.584 ( 3.395 -1.741 -1.530) 4.111 4.613 ( 1.530 -2.451 0.040) 2.889 4.679 ( 3.155 -2.157 -3.093) 4.916 4.705 ( -1.902 -4.704 0.095) 5.074 4.828 ( 0.440 -0.355 1.624) 1.719 4.892 ( -6.776 -2.819 0.176) 7.341 4.961 ( 1.167 -1.726 4.201) 4.689 5.023 ( -3.100 -5.266 3.908) 7.254 5.088 ( 9.700 2.036 0.238) 9.915 5.137 ( 5.113 -3.698 -1.492) 6.484 5.204 ( 1.172 3.354 0.807) 3.643 5.307 ( -1.478 -7.047 0.679) 7.232 5.560 ( 1.205 2.206 0.155) 2.518 5.566 ( -2.406 1.500 0.030) 2.836 5.776 ( -9.560 5.761 -3.056) 11.572 5.855 ( -8.860 1.508 -1.143) 9.060 5.897 ( -8.231 2.048 -1.550) 8.622 5.924 ( -7.434 0.659 -0.768) 7.502 6.008 ( -3.518 -0.177 -3.719) 5.122 6.016 ( -3.750 2.818 4.660) 6.612 6.046 ( -3.592 -3.716 0.568) 5.200 6.090 ( -6.311 -4.375 1.100) 7.757 6.329 ( -9.007 7.889 -0.952) 12.011 6.402 ( -6.337 0.461 -0.661) 6.388 6.533 ( -4.339 5.340 2.842) 7.445 6.596 ( -4.902 1.492 -0.524) 5.151 6.672 ( -0.786 2.036 2.064) 3.004 6.779 ( -2.453 -2.416 -3.498) 4.908 6.866 ( -1.114 -4.273 -0.651) 4.463 6.915 ( 0.420 -5.270 -0.134) 5.288 6.981 ( 1.056 0.697 3.969) 4.166 7.016 ( 3.592 1.637 0.077) 3.948 7.087 ( 1.323 -3.225 2.479) 4.278 7.119 ( 0.332 -4.284 1.501) 4.551 7.233 ( 3.733 1.387 2.997) 4.984 7.256 ( 4.279 -0.920 1.501) 4.627 7.535 ( 0.896 3.141 -0.150) 3.270 7.591 ( 1.063 -2.787 1.565) 3.369 7.742 ( -7.073 3.656 -1.564) 8.114 7.808 ( -5.502 -2.783 -5.508) 8.268 7.938 ( -7.261 3.809 -1.509) 8.337 7.953 ( -5.435 2.882 -5.047) 7.957 8.238 ( -2.519 1.891 3.754) 4.901 8.273 ( -0.162 -1.773 0.279) 1.802 8.515 ( 1.536 0.513 -0.007) 1.620 8.544 ( 0.901 -2.132 -1.556) 2.789 8.606 ( -2.219 0.870 -0.177) 2.390 8.628 ( -2.298 -0.526 2.548) 3.471 8.689 ( 2.994 0.664 -0.628) 3.130 8.731 ( 0.616 -2.012 0.995) 2.327 8.950 ( 0.277 3.437 1.350) 3.704 8.967 ( 3.329 2.222 -2.304) 4.619 9.043 ( 1.311 0.049 4.670) 4.851 9.073 ( 3.209 0.587 3.581) 4.844 9.101 ( -0.232 1.366 1.536) 2.069 9.215 ( 1.295 -5.388 1.384) 5.712 9.305 ( -0.064 3.613 4.010) 5.398 9.337 ( 2.925 -0.117 -0.533) 2.976 9.363 ( 4.793 6.161 -0.311) 7.812 9.474 ( 7.121 -4.350 -2.422) 8.689 9.620 ( -1.910 8.141 7.119) 10.981 9.666 ( -2.481 4.962 -3.405) 6.509 9.829 ( -4.604 -2.010 -1.170) 5.158 9.915 ( -1.452 -6.016 -1.128) 6.290 9.977 ( -0.042 1.448 2.332) 2.746 10.043 ( 2.070 -5.301 7.845) 9.692 10.271 ( -5.465 1.657 -3.682) 6.795 10.312 ( -3.823 1.063 1.785) 4.351 10.348 ( -2.768 -2.416 -3.945) 5.391 10.410 ( -0.732 -6.157 4.295) 7.543 10.505 ( -4.631 2.878 -5.434) 7.698 10.576 ( -3.016 -2.405 -3.888) 5.477 10.863 ( -2.621 -0.469 -1.618) 3.116 10.885 ( 0.336 -1.504 -4.238) 4.509 11.152 ( 0.456 8.345 7.983) 11.557 11.322 ( 6.846 -5.703 2.961) 9.389 11.448 ( 3.619 1.907 2.545) 4.818 11.491 ( 1.951 -3.681 1.805) 4.540 11.587 ( 5.708 -1.054 -8.371) 10.187 11.633 ( 7.443 -6.462 -8.409) 12.957 11.802 ( 2.360 6.380 2.748) 7.336 11.911 ( 4.160 -3.834 3.284) 6.541 11.958 ( 6.702 -2.557 -3.401) 7.938 12.008 ( 4.652 -4.534 -4.135) 7.700 12.073 ( -0.224 2.543 -0.059) 2.554 12.097 ( 0.061 -0.303 0.460) 0.554 12.395 ( 11.978 9.099 2.054) 15.181 12.471 ( 6.456 9.068 -0.617) 11.149 12.593 ( 8.919 -10.892 -0.168) 14.079 12.677 ( 5.058 -12.387 -3.585) 13.852 13.056 ( -4.367 0.334 1.196) 4.540 13.068 ( -4.299 -0.712 -0.128) 4.359 13.145 ( 6.143 5.370 -3.651) 8.939 13.254 ( 5.989 -5.733 -0.625) 8.314 13.581 ( 11.509 10.197 -6.814) 16.819 13.739 ( 10.056 -6.156 -3.252) 12.231 13.922 ( 7.531 2.105 5.278) 9.434 13.957 ( 8.847 -1.550 4.983) 10.272 14.251 ( -5.754 4.918 -4.997) 9.070 14.321 ( -6.680 -2.282 -1.998) 7.337 14.661 ( -1.619 3.681 1.899) 4.448 14.690 ( -2.277 0.932 3.865) 4.582 15.045 ( -5.183 0.879 8.743) 10.202 15.071 ( -6.769 -1.878 6.772) 9.758 15.191 ( -0.078 3.388 -3.245) 4.692 15.282 ( -0.335 -6.252 -3.818) 7.333 16.128 ( -8.907 3.269 1.807) 9.659 16.143 ( -6.595 2.149 -4.174) 8.095 16.194 ( -7.048 -1.934 -3.933) 8.300 16.223 ( -8.337 -4.375 3.036) 9.893 20.042 ( 2.241 1.592 -0.167) 2.754 20.067 ( 2.359 -0.849 -0.515) 2.559 20.213 ( 4.101 -0.360 2.262) 4.698 20.250 ( 5.130 -4.042 0.716) 6.570 20.986 ( 1.874 3.595 0.973) 4.170 21.026 ( 1.720 0.619 0.911) 2.042 21.159 ( 4.613 2.766 0.824) 5.441 21.217 ( 3.754 -2.615 -0.088) 4.576 21.299 ( -3.014 11.891 -3.725) 12.820 21.454 ( -2.235 -3.278 -2.707) 4.803 21.676 ( 4.386 8.904 4.649) 10.960 21.699 ( 1.479 3.649 0.927) 4.045 21.874 ( -1.121 3.264 -0.258) 3.461 22.008 ( 3.843 -5.265 1.948) 6.803 22.282 ( -6.848 -3.764 -2.387) 8.171 22.381 ( -6.362 -12.816 5.085) 15.185 22.655 ( -2.870 1.024 -2.679) 4.058 22.689 ( -2.125 -2.607 -4.146) 5.338 22.984 ( 3.091 3.702 0.337) 4.834 23.049 ( 4.498 -3.461 0.119) 5.677 23.508 ( -4.155 2.146 -0.463) 4.699 23.533 ( -3.888 -0.400 -0.333) 3.923 24.262 ( -17.639 2.722 -4.754) 18.470 24.293 ( -19.010 -0.668 2.294) 19.160 25.786 ( 2.671 1.889 0.950) 3.406 25.806 ( 3.325 1.137 -0.439) 3.541 25.855 ( 3.645 -2.317 1.966) 4.746 25.874 ( 5.439 -3.008 -2.110) 6.563 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 14.189 4.447 -0.807) 14.892 1.993 ( 13.137 -0.049 -2.251) 13.329 2.112 ( 8.734 6.084 -2.050) 10.840 2.193 ( -0.859 -2.025 -0.757) 2.326 2.233 ( -6.029 -0.892 -0.084) 6.096 2.288 ( 0.661 -4.501 3.438) 5.702 2.318 ( 3.331 2.236 6.202) 7.386 2.359 ( -6.700 -0.406 1.481) 6.874 2.440 ( -1.427 0.490 2.312) 2.760 2.499 ( -7.251 -4.050 2.854) 8.782 2.532 ( 7.913 0.172 3.061) 8.487 2.595 ( 6.890 -6.600 6.142) 11.347 2.634 ( -1.378 0.947 -1.009) 1.953 2.683 ( 2.001 -4.133 -2.550) 5.252 2.790 ( 0.707 2.051 3.021) 3.719 2.840 ( -0.679 -2.594 4.118) 4.914 2.901 ( 1.645 1.465 -3.895) 4.475 2.955 ( 0.837 -3.609 -3.020) 4.780 3.073 ( -3.971 0.191 -4.466) 5.979 3.085 ( -1.486 0.008 -3.846) 4.123 3.212 ( -0.322 2.559 3.674) 4.488 3.268 ( 2.197 -2.646 4.229) 5.451 3.365 ( -1.204 5.293 -0.020) 5.429 3.406 ( -2.866 0.772 -3.344) 4.472 3.501 ( 0.780 -0.282 3.700) 3.791 3.524 ( 0.442 -1.875 0.686) 2.045 3.545 ( 1.481 3.824 -2.622) 4.867 3.611 ( 3.365 -3.384 -3.487) 5.910 3.696 ( 1.661 4.748 -0.441) 5.049 3.762 ( -0.654 -0.907 0.286) 1.154 3.775 ( -0.238 7.355 -4.781) 8.776 3.878 ( 1.393 -2.615 -1.222) 3.205 4.003 ( 5.032 5.344 1.017) 7.410 4.032 ( 4.021 2.824 0.283) 4.922 4.122 ( -0.610 3.021 3.890) 4.963 4.167 ( -1.249 -0.082 -2.671) 2.950 4.195 ( 0.974 4.582 -2.746) 5.430 4.225 ( -3.199 0.394 -4.300) 5.374 4.342 ( 1.638 5.154 -4.962) 7.339 4.389 ( -0.534 -0.566 -3.699) 3.780 4.534 ( -0.025 1.028 7.158) 7.232 4.537 ( 4.779 -0.107 2.825) 5.552 4.559 ( -4.110 0.947 2.760) 5.041 4.653 ( -2.985 -7.516 1.496) 8.224 4.703 ( 4.803 0.230 -2.972) 5.653 4.736 ( 6.212 -3.216 -3.490) 7.817 4.857 ( 1.095 0.343 0.239) 1.172 4.898 ( -1.794 -4.253 0.283) 4.625 4.960 ( 4.860 2.908 3.698) 6.764 5.051 ( 4.671 -6.260 3.536) 8.574 5.169 ( 6.163 6.021 0.317) 8.622 5.256 ( -1.253 -2.727 -0.101) 3.003 5.347 ( 4.763 0.569 2.562) 5.438 5.369 ( 10.728 -1.935 0.090) 10.902 5.460 ( -8.028 0.132 1.913) 8.254 5.484 ( -3.170 -2.266 0.647) 3.950 5.713 ( -2.124 4.066 -2.964) 5.462 5.734 ( -1.340 2.579 -2.222) 3.659 5.772 ( -7.187 3.295 -0.798) 7.947 5.824 ( 3.735 0.763 -1.658) 4.157 5.892 ( -9.928 -1.150 -2.025) 10.197 5.931 ( -3.827 -2.361 -2.902) 5.352 5.963 ( -7.167 0.780 2.584) 7.658 5.983 ( -3.948 -0.921 1.352) 4.273 6.226 ( -0.825 8.717 0.781) 8.791 6.295 ( -4.048 2.974 -1.026) 5.127 6.459 ( -3.384 -0.102 2.896) 4.455 6.516 ( -1.979 -3.212 -2.564) 4.561 6.686 ( 0.140 -0.055 2.402) 2.407 6.720 ( -1.324 -2.673 0.249) 2.993 6.889 ( 2.729 0.307 -0.466) 2.785 6.925 ( -0.317 -3.129 1.552) 3.507 6.995 ( -2.333 -1.152 0.957) 2.772 7.016 ( -1.097 -1.431 -0.405) 1.848 7.104 ( 0.077 -2.495 1.028) 2.700 7.131 ( -0.339 -3.786 -0.186) 3.806 7.364 ( 5.545 1.571 7.358) 9.346 7.395 ( 7.177 -1.542 5.182) 8.985 7.519 ( -1.842 4.964 0.202) 5.299 7.580 ( -2.535 0.300 -0.885) 2.701 7.649 ( -2.931 1.548 1.152) 3.509 7.720 ( -1.748 -3.359 -3.760) 5.336 7.796 ( -4.873 2.368 -4.587) 7.099 7.826 ( -4.172 -0.406 -6.202) 7.486 8.250 ( 0.365 3.355 4.598) 5.704 8.300 ( 2.276 -1.590 0.123) 2.779 8.544 ( 0.597 2.773 0.361) 2.860 8.559 ( 1.012 2.437 -3.801) 4.627 8.591 ( 3.751 -2.531 -0.597) 4.564 8.617 ( -1.112 -1.802 2.414) 3.211 8.699 ( -1.052 0.153 -3.353) 3.517 8.722 ( -1.890 -1.732 -2.007) 3.255 8.933 ( -2.397 4.694 4.265) 6.780 9.003 ( 0.925 -1.426 -1.940) 2.579 9.077 ( -0.192 1.329 3.333) 3.593 9.105 ( 1.011 5.432 2.069) 5.900 9.156 ( 3.053 -5.453 2.711) 6.812 9.214 ( -0.480 -6.392 -0.027) 6.410 9.329 ( 0.976 5.848 3.238) 6.756 9.387 ( -0.217 1.201 1.202) 1.713 9.452 ( 2.445 5.939 2.116) 6.762 9.557 ( -0.903 -2.652 -2.628) 3.842 9.584 ( -0.013 0.153 2.847) 2.851 9.669 ( 2.902 -3.236 -0.527) 4.379 9.789 ( 0.917 3.472 0.939) 3.712 9.882 ( -1.794 -1.773 -1.041) 2.728 10.008 ( 2.917 1.674 2.796) 4.374 10.075 ( -3.144 -2.947 2.229) 4.852 10.145 ( -5.324 2.636 -0.317) 5.949 10.255 ( -4.843 -6.053 -4.376) 8.901 10.297 ( -0.218 8.507 4.044) 9.421 10.408 ( 1.117 7.305 -5.108) 8.984 10.459 ( 0.803 -7.550 3.305) 8.281 10.543 ( 2.495 -5.206 -3.459) 6.730 10.779 ( -4.281 1.472 -1.470) 4.760 10.824 ( -3.417 -2.373 -4.183) 5.900 11.204 ( 0.069 5.676 7.176) 9.149 11.352 ( -1.013 -6.162 -1.094) 6.340 11.536 ( 1.043 -2.787 0.971) 3.130 11.562 ( 3.192 -3.311 3.190) 5.598 11.633 ( 3.978 3.251 -2.283) 5.622 11.716 ( 5.619 -5.644 -5.604) 9.738 11.841 ( 0.466 3.940 -1.008) 4.094 11.953 ( -1.504 -5.850 -4.928) 7.796 11.997 ( 2.850 -1.549 0.284) 3.256 12.009 ( -2.135 -1.345 -1.785) 3.091 12.083 ( 3.598 0.318 -0.162) 3.615 12.132 ( 0.403 -3.771 -0.030) 3.793 12.568 ( 5.020 2.972 0.601) 5.865 12.586 ( 6.189 1.719 0.405) 6.437 12.769 ( 6.338 1.102 1.614) 6.632 12.820 ( 9.807 -3.395 1.342) 10.465 12.958 ( -4.070 5.048 -4.325) 7.794 13.014 ( -1.837 0.222 -2.517) 3.125 13.263 ( 6.583 2.400 1.301) 7.126 13.329 ( 1.964 -3.106 0.029) 3.675 13.741 ( 10.108 3.383 -3.662) 11.271 13.824 ( 3.484 -4.248 -3.115) 6.316 13.912 ( -9.668 2.188 0.604) 9.931 13.987 ( -9.284 -5.436 -1.481) 10.859 14.236 ( 2.387 2.549 1.035) 3.643 14.271 ( 4.685 -1.220 -2.626) 5.507 14.658 ( 0.777 3.314 0.539) 3.446 14.672 ( -1.552 1.885 1.981) 3.144 15.017 ( -4.795 0.422 12.766) 13.644 15.029 ( -3.761 -0.876 9.384) 10.148 15.179 ( 1.517 3.219 -4.003) 5.356 15.251 ( 0.566 -4.418 -5.976) 7.453 15.993 ( -7.082 4.308 3.163) 8.873 16.035 ( -0.788 2.476 -5.225) 5.835 16.089 ( -3.141 -4.516 -0.401) 5.515 16.108 ( -3.352 -4.923 -0.910) 6.025 20.080 ( 1.497 1.363 0.397) 2.063 20.098 ( 1.163 -0.332 -0.565) 1.335 20.285 ( 1.724 -1.433 2.799) 3.586 20.322 ( 2.166 -5.069 0.058) 5.512 21.043 ( 3.337 2.815 1.613) 4.654 21.075 ( 2.147 -0.339 2.611) 3.398 21.177 ( -4.242 4.493 -3.373) 7.040 21.205 ( -0.270 0.443 -3.965) 3.999 21.329 ( 4.523 8.219 3.708) 10.087 21.428 ( -0.133 0.705 0.252) 0.761 21.679 ( -0.822 2.591 -0.636) 2.792 21.760 ( 0.430 -1.572 -2.771) 3.215 21.904 ( 3.943 9.153 5.085) 11.188 22.128 ( -5.908 -3.126 -1.403) 6.830 22.151 ( 7.532 -5.008 0.704) 9.073 22.273 ( -6.451 -10.025 2.592) 12.200 22.612 ( -0.731 0.464 -0.713) 1.121 22.640 ( -0.590 -2.482 -3.039) 3.968 22.990 ( -1.463 2.997 -1.113) 3.516 23.048 ( -2.548 -3.643 -3.136) 5.440 23.522 ( 4.080 3.288 0.818) 5.303 23.542 ( 1.309 1.449 2.533) 3.198 23.972 ( -7.661 0.975 -4.434) 8.905 23.985 ( -14.009 -0.368 1.242) 14.068 25.828 ( 0.873 1.965 1.167) 2.447 25.847 ( 1.348 1.195 -0.440) 1.854 25.906 ( 0.637 -1.655 1.753) 2.494 25.938 ( 3.040 -3.657 -2.324) 5.293 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -18.033 5.643 4.065) 19.328 1.935 ( -12.797 5.051 3.925) 14.307 2.068 ( -15.759 -2.180 1.123) 15.949 2.148 ( -4.819 -7.288 4.369) 9.769 2.266 ( 7.636 -0.069 -2.648) 8.083 2.308 ( -1.643 -3.931 0.632) 4.307 2.402 ( 10.389 3.348 -2.495) 11.196 2.435 ( 3.042 -1.231 -4.570) 5.626 2.488 ( 5.312 0.729 -2.245) 5.813 2.524 ( 13.489 -0.396 0.647) 13.510 2.590 ( -1.025 2.887 -1.297) 3.327 2.639 ( 3.565 -0.988 -1.138) 3.870 2.694 ( -2.612 -0.829 -3.079) 4.121 2.727 ( 0.381 -3.065 -4.375) 5.356 2.810 ( -4.792 -3.059 -2.536) 6.225 2.839 ( 1.317 -4.662 1.592) 5.099 2.893 ( -0.853 0.823 -0.555) 1.309 2.916 ( 2.864 -0.989 2.236) 3.765 3.016 ( -1.328 2.030 0.710) 2.528 3.059 ( 0.733 -2.123 -2.030) 3.028 3.252 ( -0.080 4.467 6.713) 8.064 3.295 ( -0.427 1.400 -2.550) 2.940 3.336 ( -3.230 0.726 -0.443) 3.341 3.347 ( 0.211 -2.503 2.271) 3.386 3.479 ( -4.491 -1.064 2.186) 5.107 3.499 ( -5.760 -1.912 4.374) 7.481 3.539 ( -1.887 6.710 1.957) 7.240 3.631 ( 0.882 0.584 -6.500) 6.585 3.672 ( -4.907 2.397 2.986) 6.224 3.740 ( -2.431 -1.234 0.012) 2.726 3.786 ( 4.470 4.499 -3.646) 7.316 3.847 ( 3.524 -2.095 -2.920) 5.033 3.981 ( -10.184 4.440 3.657) 11.696 4.033 ( -6.478 1.662 1.232) 6.800 4.055 ( -5.728 8.172 4.674) 11.020 4.168 ( -3.145 -2.958 -1.312) 4.512 4.177 ( -1.500 3.849 0.400) 4.150 4.221 ( 3.640 -0.861 3.233) 4.944 4.314 ( 2.657 6.326 -5.442) 8.758 4.373 ( 1.201 -0.020 -1.137) 1.654 4.503 ( -5.483 -1.485 4.048) 6.976 4.553 ( -0.961 -6.391 0.763) 6.508 4.616 ( 1.675 1.488 1.888) 2.930 4.639 ( -0.207 -3.044 2.517) 3.956 4.669 ( -6.768 2.608 0.456) 7.268 4.757 ( 0.369 -3.966 -2.773) 4.854 4.901 ( 1.720 -1.106 -2.905) 3.553 4.940 ( 3.169 -4.639 -5.331) 7.745 4.996 ( -1.148 4.279 0.336) 4.443 5.083 ( 4.285 -3.488 -2.019) 5.883 5.224 ( 0.314 6.304 -4.676) 7.855 5.325 ( 1.910 -1.868 -5.374) 6.001 5.390 ( 3.856 2.921 -1.176) 4.978 5.433 ( -0.119 0.500 -5.657) 5.680 5.484 ( 4.189 -2.454 0.205) 4.859 5.512 ( 2.704 -5.088 -2.157) 6.152 5.642 ( -2.866 5.614 3.667) 7.292 5.677 ( -3.548 1.951 2.399) 4.706 5.719 ( 0.177 4.224 2.864) 5.107 5.782 ( -3.639 0.457 2.927) 4.692 5.842 ( 5.541 -1.816 4.214) 7.194 5.863 ( 0.671 -5.002 2.108) 5.469 6.015 ( 8.441 0.664 -2.183) 8.744 6.024 ( 8.313 0.131 -2.078) 8.570 6.251 ( 0.626 5.966 -1.280) 6.133 6.279 ( 4.640 5.136 0.295) 6.928 6.462 ( 1.914 0.269 2.422) 3.099 6.510 ( 2.969 -1.753 -2.044) 4.008 6.695 ( -0.957 -0.252 2.212) 2.423 6.717 ( 0.119 -1.692 0.260) 1.716 6.887 ( -3.058 1.631 -0.555) 3.510 6.940 ( 2.203 -1.883 0.047) 2.898 6.976 ( -0.598 -1.192 2.640) 2.958 7.019 ( 2.185 -5.275 -0.655) 5.747 7.100 ( -2.019 -2.558 1.447) 3.566 7.120 ( -0.270 -4.239 0.599) 4.290 7.436 ( -3.510 3.524 2.366) 5.508 7.467 ( -4.662 0.327 1.034) 4.786 7.528 ( 3.844 3.754 1.927) 5.708 7.568 ( 4.094 1.809 -1.989) 4.898 7.602 ( -4.849 -0.910 2.966) 5.757 7.654 ( -2.439 -2.354 0.139) 3.392 7.761 ( 2.328 0.291 -1.868) 2.999 7.782 ( 3.941 -1.863 -1.026) 4.478 8.292 ( 1.390 3.719 1.850) 4.380 8.336 ( 2.644 -0.493 -3.014) 4.039 8.524 ( -2.048 1.876 -0.305) 2.794 8.548 ( -1.627 0.052 -2.387) 2.889 8.626 ( -2.217 1.462 -3.581) 4.458 8.644 ( 1.604 1.071 1.640) 2.531 8.667 ( 3.652 -1.827 1.140) 4.239 8.683 ( 1.110 -3.373 -1.485) 3.849 8.920 ( -3.072 3.624 4.601) 6.613 8.999 ( -0.628 -4.200 0.151) 4.249 9.096 ( -0.074 5.720 2.477) 6.233 9.131 ( 1.259 3.993 -0.954) 4.294 9.183 ( -2.320 -4.037 0.549) 4.688 9.222 ( 1.555 -5.354 -1.169) 5.696 9.335 ( -3.551 3.619 1.806) 5.382 9.383 ( 1.635 -1.225 2.414) 3.162 9.472 ( -3.007 6.309 0.354) 6.998 9.492 ( -1.789 2.734 0.943) 3.401 9.607 ( -2.980 -2.864 2.483) 4.821 9.661 ( -1.659 -7.601 0.250) 7.784 9.838 ( 0.998 5.420 -3.722) 6.651 9.882 ( 4.758 1.986 -1.584) 5.394 10.030 ( -0.040 3.252 0.748) 3.337 10.069 ( 0.420 0.213 4.159) 4.185 10.135 ( -1.589 -1.757 3.443) 4.179 10.176 ( 3.192 -6.649 -0.466) 7.390 10.322 ( 1.870 7.998 1.930) 8.437 10.413 ( 1.158 8.358 -5.984) 10.344 10.489 ( 0.741 -8.074 1.226) 8.200 10.566 ( 1.598 -7.277 -6.376) 9.806 10.769 ( 2.954 1.340 1.170) 3.449 10.771 ( 2.110 0.907 -0.133) 2.301 11.243 ( -1.562 2.093 7.886) 8.307 11.314 ( -1.652 -5.456 -2.171) 6.100 11.534 ( -1.170 0.848 -0.149) 1.452 11.570 ( 0.590 -2.128 -5.017) 5.482 11.692 ( -1.712 1.609 1.220) 2.647 11.727 ( -3.185 -2.657 -4.465) 6.094 11.836 ( -0.953 -5.167 2.675) 5.896 11.842 ( -2.538 -5.859 -1.527) 6.566 11.980 ( -1.842 1.019 0.355) 2.135 12.033 ( 1.235 -2.246 -2.140) 3.339 12.096 ( -1.742 0.439 -0.992) 2.052 12.149 ( 2.078 -3.249 -0.953) 3.973 12.603 ( -1.200 1.187 -2.803) 3.272 12.628 ( -0.121 -0.804 -4.308) 4.384 12.785 ( -8.318 5.813 1.138) 10.211 12.834 ( -8.382 -0.322 -0.745) 8.421 12.946 ( 1.798 6.244 -1.942) 6.782 12.988 ( 5.156 0.187 -1.402) 5.346 13.293 ( -4.261 3.460 -1.536) 5.699 13.365 ( 2.420 -2.663 -3.140) 4.775 13.706 ( -13.926 -0.758 0.518) 13.956 13.751 ( -9.376 -5.641 2.913) 11.323 13.877 ( 5.356 3.767 3.401) 7.378 13.968 ( 10.603 -6.266 0.482) 12.326 14.220 ( -4.749 3.097 1.521) 5.870 14.280 ( -3.871 -3.138 -1.886) 5.329 14.668 ( 1.181 4.395 -1.144) 4.692 14.701 ( 3.299 1.102 -1.425) 3.759 15.040 ( -1.775 0.466 10.939) 11.091 15.059 ( -0.648 -1.447 11.700) 11.807 15.192 ( 3.114 2.182 -5.315) 6.535 15.231 ( 2.437 -1.970 -8.125) 8.709 15.942 ( -0.369 4.163 3.791) 5.643 16.033 ( 0.161 -5.131 1.205) 5.273 16.075 ( 6.190 2.322 -3.180) 7.336 16.145 ( 6.695 -4.461 -2.437) 8.406 20.090 ( -0.874 0.996 -0.109) 1.329 20.095 ( -0.734 0.552 -0.778) 1.204 20.302 ( -1.796 -2.497 2.185) 3.773 20.324 ( -1.639 -4.990 -0.946) 5.336 21.068 ( -4.464 4.945 -0.584) 6.687 21.118 ( -0.079 2.204 2.591) 3.403 21.126 ( 1.585 1.424 2.740) 3.471 21.135 ( -2.441 -2.537 -2.606) 4.380 21.382 ( -2.949 8.701 -1.657) 9.336 21.445 ( 3.841 3.727 -1.364) 5.523 21.692 ( 0.046 -2.390 1.714) 2.942 21.698 ( -2.036 -2.937 -1.032) 3.719 21.950 ( -4.389 4.117 2.138) 6.386 22.083 ( -2.576 -6.065 5.058) 8.307 22.155 ( 5.418 10.197 -5.226) 12.674 22.399 ( 14.587 -11.343 -7.948) 20.115 22.612 ( 0.535 -0.359 0.704) 0.954 22.624 ( 0.457 -1.541 -1.930) 2.511 22.977 ( 0.234 -0.164 3.289) 3.301 22.991 ( -0.659 -1.552 -0.588) 1.786 23.460 ( -9.884 5.432 5.368) 12.490 23.533 ( -7.674 -2.282 4.234) 9.057 23.925 ( 9.332 7.521 -0.299) 11.990 24.042 ( 14.829 -4.984 -3.740) 16.085 25.829 ( -1.592 1.719 1.120) 2.597 25.846 ( -1.193 1.164 -0.302) 1.694 25.901 ( -2.291 -0.541 1.206) 2.645 25.951 ( 0.045 -4.628 -2.510) 5.266 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -20.935 11.858 3.396) 24.299 1.718 ( -13.390 0.307 0.655) 13.409 1.787 ( -15.574 7.572 5.753) 18.248 2.073 ( -8.092 -15.704 7.641) 19.248 2.241 ( -4.316 2.500 -4.447) 6.682 2.302 ( -4.502 -4.762 -4.303) 7.840 2.354 ( -6.296 1.569 -11.084) 12.844 2.421 ( -3.353 -3.786 -7.386) 8.952 2.521 ( -1.648 0.559 -4.445) 4.774 2.555 ( -0.341 -3.548 -4.867) 6.033 2.618 ( 3.173 3.418 -2.988) 5.539 2.662 ( 2.197 -0.206 -0.144) 2.211 2.732 ( 7.213 2.972 -1.955) 8.043 2.750 ( 7.481 1.597 1.056) 7.722 2.824 ( 4.013 -1.567 0.701) 4.365 2.865 ( 0.938 0.327 0.792) 1.270 2.884 ( 0.901 -0.220 -1.524) 1.784 2.919 ( -0.623 0.110 -1.225) 1.378 3.033 ( -3.520 1.975 2.351) 4.671 3.070 ( -0.364 -1.587 4.218) 4.522 3.237 ( -6.778 7.617 5.598) 11.632 3.255 ( -1.548 2.308 -1.920) 3.378 3.303 ( 0.406 2.319 1.773) 2.947 3.318 ( -6.747 1.300 4.167) 8.036 3.376 ( -0.995 -3.448 3.430) 4.964 3.454 ( -2.779 -5.344 3.645) 7.041 3.546 ( -1.002 2.255 1.361) 2.818 3.572 ( -2.497 1.356 -4.829) 5.602 3.681 ( -2.687 4.715 0.862) 5.495 3.690 ( -1.791 2.993 1.565) 3.823 3.764 ( -8.437 1.680 1.141) 8.678 3.804 ( -3.307 -5.578 -0.806) 6.534 3.881 ( -7.006 3.194 1.435) 7.832 3.934 ( 3.369 1.395 1.230) 3.848 4.043 ( -0.354 -1.518 4.295) 4.569 4.051 ( -6.167 -2.886 1.368) 6.944 4.167 ( -1.667 5.389 0.960) 5.722 4.232 ( -3.604 -0.369 -2.043) 4.159 4.317 ( -7.264 5.137 6.495) 11.016 4.389 ( -1.405 -1.587 -0.883) 2.296 4.433 ( 2.682 1.710 -1.566) 3.546 4.542 ( -1.551 -7.482 1.608) 7.808 4.550 ( -2.644 2.469 -0.348) 3.634 4.618 ( -0.106 -3.520 1.262) 3.741 4.686 ( 0.870 -0.996 -4.171) 4.376 4.739 ( -0.503 -4.406 -3.171) 5.452 4.847 ( -0.749 3.283 -0.863) 3.476 4.920 ( 2.518 -3.336 -2.473) 4.856 5.090 ( 3.681 -1.698 -3.888) 5.617 5.103 ( -7.747 7.394 -6.628) 12.594 5.145 ( -3.520 -3.523 -5.530) 7.442 5.228 ( -5.981 -6.174 -10.747) 13.762 5.259 ( 1.952 2.765 -3.975) 5.220 5.355 ( -0.200 -6.517 -2.920) 7.144 5.533 ( -1.981 5.445 2.580) 6.342 5.572 ( 0.770 0.918 -0.765) 1.421 5.712 ( 8.558 4.291 2.990) 10.030 5.812 ( 10.563 4.595 3.261) 11.972 5.830 ( 6.694 -4.908 5.305) 9.851 5.852 ( 7.914 -1.261 4.599) 9.240 5.925 ( 5.181 2.401 2.625) 6.285 5.981 ( 3.917 -3.426 3.624) 6.342 6.150 ( 7.228 0.996 -5.428) 9.094 6.175 ( 8.493 -1.742 -4.220) 9.642 6.309 ( 6.549 7.438 0.723) 9.937 6.383 ( 5.513 0.219 1.234) 5.653 6.556 ( 4.137 2.220 2.963) 5.551 6.572 ( 4.309 3.660 -0.919) 5.728 6.686 ( -0.285 1.672 0.650) 1.816 6.740 ( 3.556 -0.585 0.305) 3.617 6.841 ( -1.923 0.568 0.191) 2.014 6.936 ( -2.043 -7.749 -0.734) 8.047 6.989 ( -1.914 2.540 4.036) 5.139 7.056 ( -0.120 -6.374 3.476) 7.261 7.077 ( 0.558 0.430 -3.491) 3.562 7.111 ( -0.852 -2.199 -1.911) 3.035 7.340 ( -4.441 2.308 -4.590) 6.791 7.372 ( -3.400 -1.211 -6.278) 7.241 7.494 ( -4.538 4.331 2.433) 6.728 7.580 ( -4.871 -4.669 4.460) 8.089 7.670 ( 7.303 -0.172 2.919) 7.867 7.682 ( 6.223 -1.010 3.909) 7.418 7.846 ( 4.410 4.367 4.948) 7.937 7.901 ( 7.290 -1.012 3.293) 8.062 8.315 ( 2.207 3.532 -3.753) 5.606 8.361 ( 3.561 -0.634 -6.576) 7.505 8.484 ( -2.120 0.651 1.257) 2.549 8.510 ( -0.889 -1.706 1.473) 2.423 8.609 ( 1.489 2.302 -0.349) 2.764 8.661 ( -2.769 -1.371 0.795) 3.191 8.692 ( 2.938 0.621 -0.506) 3.045 8.746 ( 1.183 -2.689 -0.227) 2.946 8.892 ( -2.055 3.150 4.901) 6.178 8.964 ( -3.305 -3.321 0.796) 4.752 9.094 ( -2.090 4.135 0.414) 4.652 9.116 ( -1.448 4.736 -1.528) 5.183 9.148 ( 0.148 -2.216 -3.003) 3.735 9.217 ( -1.756 -4.813 -1.636) 5.378 9.290 ( -3.526 6.654 4.199) 8.622 9.356 ( -7.710 0.775 1.954) 7.992 9.393 ( -0.621 1.513 -3.491) 3.855 9.448 ( -7.054 -4.341 -0.682) 8.311 9.579 ( 1.723 6.437 4.323) 7.943 9.705 ( 3.547 -4.806 2.889) 6.635 9.826 ( 3.284 6.448 -5.942) 9.364 9.943 ( 3.112 -5.557 -3.956) 7.498 10.020 ( -0.338 6.230 -0.370) 6.250 10.124 ( 2.210 -1.106 5.169) 5.729 10.204 ( 4.244 0.339 5.834) 7.222 10.257 ( 2.757 -7.191 -2.109) 7.985 10.365 ( 0.743 4.765 -1.699) 5.113 10.412 ( 5.713 1.338 2.428) 6.350 10.505 ( 0.884 -3.925 -4.923) 6.358 10.562 ( 2.970 -7.613 -3.463) 8.875 10.832 ( 2.425 3.138 0.649) 4.019 10.860 ( 4.819 0.647 -0.189) 4.866 11.223 ( -6.243 4.034 4.803) 8.849 11.272 ( -4.062 -1.147 2.186) 4.753 11.485 ( -5.517 -1.989 -1.708) 6.108 11.531 ( -3.555 -3.861 -2.075) 5.643 11.565 ( -5.321 -0.470 -2.240) 5.792 11.587 ( -3.396 -6.195 -6.435) 9.556 11.820 ( -0.691 2.338 2.263) 3.327 11.877 ( -2.236 -2.316 4.503) 5.535 11.937 ( -2.823 -0.732 -0.846) 3.036 12.005 ( -2.356 -7.023 -2.028) 7.680 12.083 ( 1.113 5.119 -2.453) 5.784 12.136 ( -2.180 -0.834 -3.412) 4.134 12.469 ( -13.554 6.066 -4.802) 15.607 12.517 ( -6.016 6.540 -6.010) 10.727 12.601 ( -8.714 -7.212 -0.351) 11.317 12.649 ( -4.409 -8.280 -1.696) 9.533 12.985 ( -1.031 8.054 4.023) 9.062 13.076 ( 4.209 -1.124 -0.119) 4.358 13.190 ( -2.635 1.752 -2.929) 4.312 13.293 ( -6.844 -9.772 -4.409) 12.719 13.486 ( -8.896 8.970 1.629) 12.738 13.636 ( -8.819 -6.759 5.490) 12.393 13.948 ( -5.983 7.161 6.848) 11.574 14.030 ( -8.939 -1.404 -3.379) 9.659 14.194 ( 2.995 -0.562 -1.145) 3.255 14.239 ( 7.531 -4.835 5.137) 10.319 14.685 ( 1.274 5.187 -1.348) 5.509 14.736 ( 1.357 -0.111 -1.151) 1.782 15.087 ( -0.129 1.128 7.465) 7.551 15.123 ( 0.531 -2.738 7.311) 7.825 15.213 ( 3.059 1.313 -6.395) 7.209 15.246 ( 4.053 -1.907 -5.063) 6.760 16.032 ( 6.493 3.392 4.912) 8.820 16.104 ( 6.023 -4.409 3.092) 8.079 16.212 ( 9.882 3.284 -3.281) 10.918 16.278 ( 8.854 -3.714 -2.447) 9.908 20.049 ( -2.523 1.565 -0.940) 3.114 20.067 ( -2.060 -0.112 -0.439) 2.109 20.250 ( -4.471 -2.550 -0.526) 5.174 20.257 ( -4.743 -3.565 -0.551) 5.959 20.997 ( -2.467 5.191 -0.217) 5.751 21.046 ( -3.374 1.679 -1.207) 3.957 21.135 ( -1.954 -0.319 2.939) 3.543 21.167 ( -1.025 -1.578 4.024) 4.443 21.297 ( -3.227 9.434 -2.339) 10.241 21.449 ( -0.852 -4.570 -2.218) 5.151 21.676 ( 0.829 3.234 1.293) 3.581 21.729 ( 0.184 0.464 0.903) 1.032 21.894 ( -1.066 6.139 -1.199) 6.345 22.025 ( -2.675 -5.707 0.055) 6.303 22.295 ( 9.004 8.702 -5.923) 13.851 22.540 ( 7.175 -13.259 -12.036) 19.291 22.638 ( 2.453 0.104 0.187) 2.462 22.644 ( 2.450 -1.230 0.650) 2.818 23.001 ( 0.535 1.365 -0.665) 1.609 23.033 ( 0.164 -2.476 3.030) 3.916 23.385 ( -0.912 4.681 9.860) 10.952 23.462 ( -0.444 -3.970 8.037) 8.975 24.188 ( 16.454 10.177 2.280) 19.481 24.338 ( 18.245 -5.981 -2.206) 19.326 25.789 ( -3.176 1.483 0.839) 3.604 25.804 ( -3.078 1.195 -0.290) 3.314 25.843 ( -4.610 -0.146 0.863) 4.692 25.903 ( -3.557 -5.374 -2.723) 6.996 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -13.447 14.755 4.637) 20.495 1.488 ( -8.362 -7.532 -6.063) 12.784 1.566 ( -14.492 13.597 8.788) 21.729 1.836 ( -17.015 -10.539 -4.422) 20.497 2.153 ( -1.665 1.981 -3.602) 4.436 2.178 ( -3.044 -0.414 -4.698) 5.613 2.220 ( -2.887 -3.052 -3.613) 5.541 2.295 ( -0.985 -7.297 -5.062) 8.936 2.532 ( 3.052 3.379 -3.504) 5.745 2.582 ( -1.317 6.090 3.256) 7.031 2.603 ( 1.758 3.552 -3.859) 5.532 2.688 ( -0.304 0.469 0.236) 0.607 2.778 ( -1.047 5.924 2.109) 6.375 2.805 ( -1.597 6.531 4.585) 8.138 2.885 ( -0.042 -2.246 3.746) 4.368 2.896 ( 2.174 4.499 -1.154) 5.128 2.930 ( 4.319 -1.597 -0.223) 4.610 2.949 ( -3.055 5.627 5.071) 8.168 3.018 ( 4.935 -4.058 -0.359) 6.399 3.047 ( 1.167 -3.702 0.809) 3.965 3.159 ( -2.878 4.483 -0.463) 5.347 3.247 ( -0.276 0.953 -0.415) 1.076 3.305 ( 0.297 1.608 2.318) 2.837 3.348 ( 0.563 0.974 5.047) 5.171 3.364 ( -0.143 -1.943 -2.038) 2.820 3.407 ( -3.666 -1.091 -0.244) 3.833 3.441 ( -10.551 0.319 -3.680) 11.179 3.490 ( -2.979 0.521 -1.475) 3.365 3.525 ( -4.634 -1.765 1.982) 5.341 3.634 ( -6.765 -15.205 9.984) 19.407 3.763 ( -0.697 3.424 -0.907) 3.610 3.786 ( 4.028 0.974 -0.057) 4.145 3.849 ( 0.989 4.986 1.192) 5.221 3.928 ( -3.817 -1.053 0.225) 3.966 4.033 ( -5.305 3.941 -0.296) 6.616 4.051 ( -0.029 5.466 -0.920) 5.543 4.064 ( -2.135 -0.298 1.673) 2.729 4.152 ( -2.060 -2.462 -0.407) 3.236 4.243 ( -4.576 5.652 -0.597) 7.297 4.282 ( -5.678 -3.137 1.423) 6.641 4.467 ( -1.707 -1.826 -3.357) 4.185 4.492 ( -1.466 -7.499 -1.898) 7.873 4.583 ( 0.737 -1.268 1.726) 2.265 4.622 ( -4.916 -3.394 2.809) 6.601 4.682 ( 6.709 3.985 -4.192) 8.857 4.714 ( 2.093 0.990 1.231) 2.622 4.840 ( -4.570 0.713 -1.051) 4.743 4.914 ( -2.786 -4.946 -0.360) 5.688 4.960 ( -3.349 2.825 -4.673) 6.406 4.975 ( -2.132 -0.906 -5.485) 5.954 5.055 ( -1.060 -1.238 -6.162) 6.374 5.162 ( 1.446 -7.804 -5.109) 9.439 5.336 ( 5.878 -0.569 -3.783) 7.013 5.367 ( 1.754 -2.672 0.013) 3.196 5.562 ( 2.687 3.930 2.718) 5.482 5.630 ( 5.888 -1.916 -2.353) 6.624 5.869 ( 5.777 3.382 4.733) 8.198 5.948 ( 3.487 -5.472 5.058) 8.227 5.979 ( 4.024 2.334 3.044) 5.559 6.000 ( 6.135 1.526 3.817) 7.385 6.084 ( 6.944 2.095 -0.942) 7.314 6.111 ( 8.477 1.450 3.852) 9.423 6.185 ( 2.836 0.767 -6.806) 7.413 6.230 ( 2.191 -4.243 -7.012) 8.484 6.442 ( 4.378 4.570 1.580) 6.523 6.449 ( -0.856 3.330 0.661) 3.501 6.546 ( -2.363 1.346 0.631) 2.791 6.605 ( -2.441 -2.577 2.124) 4.137 6.736 ( 2.388 9.957 -0.546) 10.254 6.819 ( -0.774 2.042 4.344) 4.862 6.849 ( 4.705 0.448 -2.246) 5.233 6.921 ( -0.383 -7.106 1.650) 7.305 6.937 ( -2.382 2.824 3.016) 4.769 7.043 ( -1.995 -8.415 1.530) 8.783 7.062 ( -0.586 -1.586 -2.076) 2.677 7.079 ( -0.291 -2.316 -4.569) 5.131 7.271 ( 1.561 1.184 -5.174) 5.533 7.283 ( -0.250 -0.315 -6.010) 6.024 7.424 ( -6.656 3.183 4.366) 8.573 7.517 ( -4.263 -6.110 2.022) 7.720 7.853 ( 7.880 2.290 4.749) 9.481 7.869 ( 9.442 0.857 2.595) 9.829 7.975 ( 6.763 8.350 5.675) 12.152 8.086 ( 10.939 -3.149 4.612) 12.282 8.343 ( 3.482 1.846 -3.214) 5.085 8.379 ( 1.797 -2.224 -5.301) 6.023 8.456 ( -1.911 3.546 1.573) 4.324 8.504 ( -2.806 -1.724 2.359) 4.051 8.609 ( -2.651 3.869 3.282) 5.724 8.666 ( 2.635 -1.833 2.530) 4.087 8.709 ( -1.509 1.272 -3.694) 4.188 8.737 ( 2.752 -2.550 -0.839) 3.844 8.892 ( -1.532 1.360 1.347) 2.452 8.929 ( -0.405 -1.311 1.708) 2.191 9.020 ( -3.654 5.520 -2.392) 7.038 9.082 ( -6.963 -1.287 -1.933) 7.340 9.103 ( -0.128 3.170 -4.298) 5.342 9.160 ( -4.258 -1.066 3.800) 5.806 9.184 ( -5.396 2.201 0.157) 5.830 9.280 ( -6.098 -4.439 -1.262) 7.648 9.337 ( 1.029 6.331 0.600) 6.442 9.412 ( 2.176 -0.438 -0.290) 2.238 9.593 ( -3.881 5.214 3.832) 7.545 9.750 ( -3.089 -7.094 6.024) 9.806 9.803 ( -4.160 10.412 -10.833) 15.591 9.959 ( 3.778 -1.888 -4.296) 6.025 10.130 ( 12.180 -2.329 -0.556) 12.413 10.188 ( 6.266 -5.669 -5.214) 9.930 10.257 ( -2.776 -2.882 6.006) 7.217 10.268 ( 0.860 -4.273 1.296) 4.548 10.437 ( 3.696 -0.173 -0.750) 3.775 10.461 ( -0.636 -2.505 -4.181) 4.915 10.549 ( 6.472 1.935 1.296) 6.878 10.630 ( 5.909 -6.030 1.989) 8.674 10.840 ( -1.647 6.444 -1.543) 6.828 10.919 ( 1.769 -1.442 -0.184) 2.289 11.050 ( -12.529 0.261 1.430) 12.613 11.093 ( -14.734 -3.487 -0.013) 15.141 11.411 ( 1.392 4.444 -2.592) 5.330 11.489 ( 1.771 2.549 -0.478) 3.141 11.547 ( 1.553 -6.818 -2.183) 7.325 11.579 ( 3.533 -5.585 0.659) 6.641 11.771 ( -9.372 0.505 0.812) 9.421 11.775 ( -8.563 -0.081 -2.168) 8.834 11.846 ( -2.374 3.147 -1.505) 4.220 11.930 ( -3.129 -5.716 -1.107) 6.610 12.051 ( -4.794 2.205 -1.479) 5.480 12.078 ( -3.017 -0.981 -0.372) 3.194 12.250 ( -4.239 11.914 -2.139) 12.825 12.365 ( -4.992 2.589 -2.679) 6.229 12.554 ( 0.942 -7.991 -0.975) 8.105 12.612 ( 1.142 -11.114 -3.496) 11.707 12.954 ( -4.248 5.400 8.821) 11.181 13.063 ( -7.611 -5.842 6.659) 11.679 13.186 ( 2.889 3.893 -2.828) 5.612 13.222 ( 2.911 -0.161 -7.032) 7.613 13.383 ( -2.060 5.927 -1.161) 6.381 13.488 ( -9.479 -4.201 2.987) 10.790 13.788 ( -11.352 1.634 -3.081) 11.875 13.806 ( -9.228 -0.398 0.762) 9.268 14.316 ( 5.453 4.402 4.469) 8.311 14.399 ( 4.966 -3.412 4.346) 7.429 14.694 ( 0.269 4.429 -0.269) 4.446 14.738 ( -0.408 -0.188 -0.466) 0.647 15.120 ( -0.869 1.544 5.240) 5.532 15.172 ( 0.323 -3.296 5.007) 6.003 15.227 ( 2.994 1.440 -5.676) 6.577 15.288 ( 3.090 -4.066 -3.420) 6.146 16.194 ( 6.240 3.094 5.257) 8.726 16.252 ( 6.380 -3.187 3.670) 8.021 16.353 ( 7.238 2.825 -3.302) 8.442 16.404 ( 6.328 -2.546 -3.137) 7.508 20.006 ( -1.325 1.538 -0.206) 2.041 20.027 ( -1.517 -0.439 -0.346) 1.617 20.151 ( -4.737 -0.875 -1.392) 5.014 20.166 ( -4.536 -2.028 -0.748) 5.024 20.975 ( -0.760 4.914 0.815) 5.038 20.997 ( -1.383 3.445 -0.479) 3.743 21.104 ( -1.694 -2.665 -0.183) 3.164 21.122 ( -4.574 -3.522 1.698) 6.017 21.286 ( 0.976 11.785 3.942) 12.465 21.451 ( 1.009 -5.133 3.064) 6.063 21.674 ( -1.920 6.520 -4.409) 8.102 21.706 ( -0.644 2.306 -2.922) 3.777 21.898 ( 1.325 5.456 0.588) 5.645 21.992 ( -0.541 -1.192 -2.067) 2.447 22.378 ( 3.838 0.096 -2.746) 4.720 22.543 ( 1.615 -12.464 -8.584) 15.220 22.700 ( 3.031 -1.041 0.647) 3.269 22.704 ( 3.625 -0.758 1.393) 3.957 22.956 ( -2.820 0.129 -4.000) 4.896 22.977 ( -4.462 -1.695 -2.862) 5.565 23.552 ( 8.111 3.174 9.446) 12.849 23.607 ( 7.742 -3.337 6.259) 10.500 24.497 ( 13.352 7.657 5.540) 16.359 24.628 ( 13.803 -5.976 -1.545) 15.121 25.736 ( -2.787 1.026 0.430) 3.001 25.741 ( -3.189 1.406 -0.480) 3.518 25.761 ( -4.312 -0.848 0.660) 4.444 25.795 ( -5.925 -3.764 -1.765) 7.238 =================== 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 3/31500 10.0 3656.360 4063.328 3650.718 0.000 -77.032 0.000 3/31500 20.0 280.287 254.524 186.306 0.000 -8.158 0.000 3/31500 30.0 79.923 68.699 49.772 0.000 -2.323 0.000 3/31500 40.0 38.003 31.900 23.314 0.000 -1.026 0.000 3/31500 50.0 23.174 19.161 14.145 0.000 -0.588 0.000 3/31500 60.0 16.206 13.252 9.868 0.000 -0.393 0.000 3/31500 70.0 12.318 9.987 7.489 0.000 -0.288 0.000 3/31500 80.0 9.890 7.965 6.007 0.000 -0.224 0.000 3/31500 90.0 8.249 6.609 5.008 0.000 -0.183 0.000 3/31500 100.0 7.074 5.644 4.295 0.000 -0.154 0.000 3/31500 110.0 6.196 4.927 3.762 0.000 -0.133 0.000 3/31500 120.0 5.516 4.374 3.351 0.000 -0.117 0.000 3/31500 130.0 4.975 3.936 3.024 0.000 -0.105 0.000 3/31500 140.0 4.535 3.581 2.758 0.000 -0.095 0.000 3/31500 150.0 4.169 3.287 2.537 0.000 -0.087 0.000 3/31500 160.0 3.861 3.040 2.351 0.000 -0.080 0.000 3/31500 170.0 3.598 2.829 2.193 0.000 -0.075 0.000 3/31500 180.0 3.370 2.648 2.056 0.000 -0.070 0.000 3/31500 190.0 3.172 2.489 1.936 0.000 -0.066 0.000 3/31500 200.0 2.996 2.350 1.830 0.000 -0.063 0.000 3/31500 210.0 2.841 2.226 1.736 0.000 -0.059 0.000 3/31500 220.0 2.702 2.116 1.652 0.000 -0.057 0.000 3/31500 230.0 2.576 2.016 1.577 0.000 -0.054 0.000 3/31500 240.0 2.463 1.926 1.508 0.000 -0.052 0.000 3/31500 250.0 2.359 1.845 1.446 0.000 -0.050 0.000 3/31500 260.0 2.265 1.770 1.389 0.000 -0.048 0.000 3/31500 270.0 2.178 1.701 1.336 0.000 -0.047 0.000 3/31500 280.0 2.098 1.638 1.288 0.000 -0.045 0.000 3/31500 290.0 2.024 1.580 1.243 0.000 -0.044 0.000 3/31500 300.0 1.955 1.526 1.201 0.000 -0.042 0.000 3/31500 310.0 1.891 1.475 1.162 0.000 -0.041 0.000 3/31500 320.0 1.832 1.428 1.126 0.000 -0.040 0.000 3/31500 330.0 1.776 1.384 1.092 0.000 -0.039 0.000 3/31500 340.0 1.723 1.343 1.060 0.000 -0.038 0.000 3/31500 350.0 1.674 1.304 1.030 0.000 -0.037 0.000 3/31500 360.0 1.627 1.268 1.002 0.000 -0.036 0.000 3/31500 370.0 1.584 1.233 0.975 0.000 -0.035 0.000 3/31500 380.0 1.542 1.200 0.950 0.000 -0.034 0.000 3/31500 390.0 1.503 1.170 0.926 0.000 -0.033 0.000 3/31500 400.0 1.465 1.140 0.903 0.000 -0.033 0.000 3/31500 410.0 1.430 1.112 0.881 0.000 -0.032 0.000 3/31500 420.0 1.396 1.086 0.861 0.000 -0.031 0.000 3/31500 430.0 1.364 1.061 0.841 0.000 -0.031 0.000 3/31500 440.0 1.333 1.037 0.822 0.000 -0.030 0.000 3/31500 450.0 1.304 1.014 0.804 0.000 -0.030 0.000 3/31500 460.0 1.276 0.992 0.787 0.000 -0.029 0.000 3/31500 470.0 1.249 0.971 0.771 0.000 -0.028 0.000 3/31500 480.0 1.223 0.951 0.755 0.000 -0.028 0.000 3/31500 490.0 1.199 0.931 0.740 0.000 -0.027 0.000 3/31500 500.0 1.175 0.913 0.725 0.000 -0.027 0.000 3/31500 510.0 1.152 0.895 0.711 0.000 -0.026 0.000 3/31500 520.0 1.131 0.878 0.698 0.000 -0.026 0.000 3/31500 530.0 1.109 0.861 0.685 0.000 -0.026 0.000 3/31500 540.0 1.089 0.846 0.672 0.000 -0.025 0.000 3/31500 550.0 1.070 0.830 0.660 0.000 -0.025 0.000 3/31500 560.0 1.051 0.816 0.649 0.000 -0.024 0.000 3/31500 570.0 1.033 0.801 0.638 0.000 -0.024 0.000 3/31500 580.0 1.015 0.788 0.627 0.000 -0.024 0.000 3/31500 590.0 0.998 0.774 0.616 0.000 -0.023 0.000 3/31500 600.0 0.982 0.762 0.606 0.000 -0.023 0.000 3/31500 610.0 0.966 0.749 0.597 0.000 -0.022 0.000 3/31500 620.0 0.950 0.737 0.587 0.000 -0.022 0.000 3/31500 630.0 0.935 0.726 0.578 0.000 -0.022 0.000 3/31500 640.0 0.921 0.714 0.569 0.000 -0.022 0.000 3/31500 650.0 0.907 0.704 0.560 0.000 -0.021 0.000 3/31500 660.0 0.893 0.693 0.552 0.000 -0.021 0.000 3/31500 670.0 0.880 0.683 0.544 0.000 -0.021 0.000 3/31500 680.0 0.868 0.673 0.536 0.000 -0.020 0.000 3/31500 690.0 0.855 0.663 0.528 0.000 -0.020 0.000 3/31500 700.0 0.843 0.654 0.521 0.000 -0.020 0.000 3/31500 710.0 0.831 0.644 0.514 0.000 -0.020 0.000 3/31500 720.0 0.820 0.636 0.507 0.000 -0.019 0.000 3/31500 730.0 0.809 0.627 0.500 0.000 -0.019 0.000 3/31500 740.0 0.798 0.619 0.493 0.000 -0.019 0.000 3/31500 750.0 0.787 0.610 0.487 0.000 -0.019 0.000 3/31500 760.0 0.777 0.602 0.480 0.000 -0.018 0.000 3/31500 770.0 0.767 0.595 0.474 0.000 -0.018 0.000 3/31500 780.0 0.757 0.587 0.468 0.000 -0.018 0.000 3/31500 790.0 0.748 0.580 0.462 0.000 -0.018 0.000 3/31500 800.0 0.739 0.572 0.457 0.000 -0.018 0.000 3/31500 810.0 0.730 0.565 0.451 0.000 -0.017 0.000 3/31500 820.0 0.721 0.559 0.446 0.000 -0.017 0.000 3/31500 830.0 0.712 0.552 0.440 0.000 -0.017 0.000 3/31500 840.0 0.704 0.545 0.435 0.000 -0.017 0.000 3/31500 850.0 0.696 0.539 0.430 0.000 -0.017 0.000 3/31500 860.0 0.688 0.533 0.425 0.000 -0.016 0.000 3/31500 870.0 0.680 0.527 0.420 0.000 -0.016 0.000 3/31500 880.0 0.672 0.521 0.416 0.000 -0.016 0.000 3/31500 890.0 0.665 0.515 0.411 0.000 -0.016 0.000 3/31500 900.0 0.657 0.509 0.407 0.000 -0.016 0.000 3/31500 910.0 0.650 0.504 0.402 0.000 -0.016 0.000 3/31500 920.0 0.643 0.498 0.398 0.000 -0.015 0.000 3/31500 930.0 0.636 0.493 0.394 0.000 -0.015 0.000 3/31500 940.0 0.630 0.488 0.389 0.000 -0.015 0.000 3/31500 950.0 0.623 0.483 0.385 0.000 -0.015 0.000 3/31500 960.0 0.617 0.478 0.381 0.000 -0.015 0.000 3/31500 970.0 0.610 0.473 0.377 0.000 -0.015 0.000 3/31500 980.0 0.604 0.468 0.374 0.000 -0.014 0.000 3/31500 990.0 0.598 0.463 0.370 0.000 -0.014 0.000 3/31500 1000.0 0.592 0.459 0.366 0.000 -0.014 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:24:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|