----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:32:34]------------------------- 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 7.497103810006708 0.000000000000000 0.000000000000000 b 0.000000000000000 10.494623040000002 0.000000000000000 c -3.612726930564235 0.000000000000000 10.240730616722601 Atomic positions (fractional): *1 Ca 0.83576296492274 0.13253696913845 0.41319718077561 40.078 2 Ca 0.83576296492274 0.36746303086156 0.91319718077561 40.078 *3 Ca 0.52909133217936 0.09727539836940 0.79779739446310 40.078 *4 Ca 0.67036828799553 0.63493713311485 0.07591364282534 40.078 5 Ca 0.32963171200447 0.36506286688515 0.92408635717466 40.078 6 Ca 0.47090866782064 0.59727539836940 0.70220260553690 40.078 *7 Ca 0.02921996327985 0.08517863983933 0.81552083343025 40.078 8 Ca 0.52909133217936 0.40272460163060 0.29779739446309 40.078 9 Ca 0.47090866782064 0.90272460163060 0.20220260553691 40.078 10 Ca 0.16423703507726 0.86746303086155 0.58680281922439 40.078 11 Ca 0.97078003672015 0.91482136016067 0.18447916656975 40.078 12 Ca 0.97078003672015 0.58517863983933 0.68447916656975 40.078 13 Ca 0.32963171200447 0.13493713311485 0.42408635717466 40.078 14 Ca 0.02921996327985 0.41482136016067 0.31552083343025 40.078 15 Ca 0.16423703507726 0.63253696913845 0.08680281922439 40.078 16 Ca 0.67036828799553 0.86506286688515 0.57591364282534 40.078 *17 Si 0.77411267915400 0.80657159060972 0.86739727164146 28.085 18 Si 0.22588732084600 0.30657159060972 0.63260272835854 28.085 *19 Si 0.34676082961139 0.80893031098549 0.87844011222258 28.085 20 Si 0.65323917038861 0.19106968901451 0.12155988777742 28.085 21 Si 0.65323917038861 0.30893031098549 0.62155988777742 28.085 22 Si 0.22588732084600 0.19342840939028 0.13260272835854 28.085 23 Si 0.77411267915400 0.69342840939028 0.36739727164146 28.085 24 Si 0.34676082961139 0.69106968901451 0.37844011222258 28.085 *25 O 0.30256609353456 0.95723188463382 0.83659437519143 15.999 *26 O 0.78088814661615 0.95536191282869 0.82951128392892 15.999 27 O 0.21911185338385 0.45536191282869 0.67048871607108 15.999 *28 O 0.22889783251600 0.28099593752384 0.25742646357146 15.999 *29 O 0.21902030281655 0.71967706676676 0.75929590949617 15.999 *30 O 0.43594841688596 0.23117632849523 0.12003847374027 15.999 31 O 0.69743390646544 0.45723188463381 0.66340562480857 15.999 32 O 0.43594841688596 0.26882367150477 0.62003847374027 15.999 33 O 0.78097969718345 0.28032293323324 0.24070409050383 15.999 *34 O 0.08643380379960 0.26460557551106 0.48918769377565 15.999 35 O 0.08643380379960 0.23539442448894 0.98918769377565 15.999 36 O 0.77110216748400 0.78099593752384 0.24257353642854 15.999 37 O 0.78097969718345 0.21967706676676 0.74070409050383 15.999 *38 O 0.36055639145642 0.73175093122933 0.52603985816377 15.999 39 O 0.77110216748400 0.71900406247616 0.74257353642854 15.999 40 O 0.36055639145642 0.76824906877067 0.02603985816377 15.999 41 O 0.21902030281655 0.78032293323324 0.25929590949617 15.999 42 O 0.91356619620040 0.76460557551106 0.01081230622435 15.999 43 O 0.63944360854358 0.26824906877067 0.47396014183622 15.999 44 O 0.69743390646544 0.04276811536618 0.16340562480857 15.999 45 O 0.22889783251600 0.21900406247616 0.75742646357146 15.999 46 O 0.63944360854358 0.23175093122933 0.97396014183623 15.999 47 O 0.56405158311404 0.73117632849523 0.37996152625973 15.999 48 O 0.56405158311404 0.76882367150477 0.87996152625973 15.999 49 O 0.78088814661615 0.54463808717131 0.32951128392892 15.999 50 O 0.21911185338385 0.04463808717131 0.17048871607108 15.999 51 O 0.30256609353456 0.54276811536618 0.33659437519143 15.999 52 O 0.91356619620040 0.73539442448894 0.51081230622435 15.999 *53 F 0.07497386911193 0.50040461860509 0.89686628624748 18.998 *54 F 0.42745799354069 0.99433642504757 0.60007610749588 18.998 55 F 0.57254200645931 0.00566357495243 0.39992389250412 18.998 56 F 0.07497386911193 0.99959538139491 0.39686628624748 18.998 57 F 0.57254200645931 0.49433642504757 0.89992389250412 18.998 58 F 0.42745799354069 0.50566357495243 0.10007610749588 18.998 59 F 0.92502613088807 0.49959538139491 0.10313371375252 18.998 60 F 0.92502613088807 0.00040461860509 0.60313371375252 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.497103810006708 0.000000000000000 0.000000000000000 b 0.000000000000000 10.494623040000002 0.000000000000000 c -3.612726930564235 0.000000000000000 10.240730616722601 Atomic positions (fractional): *1 Ca 0.83576296492274 0.13253696913845 0.41319718077561 40.078 > 1 2 Ca 0.83576296492274 0.36746303086156 0.91319718077561 40.078 > 2 *3 Ca 0.52909133217936 0.09727539836940 0.79779739446310 40.078 > 3 *4 Ca 0.67036828799553 0.63493713311485 0.07591364282534 40.078 > 4 5 Ca 0.32963171200447 0.36506286688515 0.92408635717466 40.078 > 5 6 Ca 0.47090866782064 0.59727539836940 0.70220260553690 40.078 > 6 *7 Ca 0.02921996327985 0.08517863983933 0.81552083343025 40.078 > 7 8 Ca 0.52909133217936 0.40272460163060 0.29779739446309 40.078 > 8 9 Ca 0.47090866782064 0.90272460163060 0.20220260553691 40.078 > 9 10 Ca 0.16423703507726 0.86746303086155 0.58680281922439 40.078 > 10 11 Ca 0.97078003672015 0.91482136016067 0.18447916656975 40.078 > 11 12 Ca 0.97078003672015 0.58517863983933 0.68447916656975 40.078 > 12 13 Ca 0.32963171200447 0.13493713311485 0.42408635717466 40.078 > 13 14 Ca 0.02921996327985 0.41482136016067 0.31552083343025 40.078 > 14 15 Ca 0.16423703507726 0.63253696913845 0.08680281922439 40.078 > 15 16 Ca 0.67036828799553 0.86506286688515 0.57591364282534 40.078 > 16 *17 Si 0.77411267915400 0.80657159060972 0.86739727164146 28.085 > 17 18 Si 0.22588732084600 0.30657159060972 0.63260272835854 28.085 > 18 *19 Si 0.34676082961139 0.80893031098549 0.87844011222258 28.085 > 19 20 Si 0.65323917038861 0.19106968901451 0.12155988777742 28.085 > 20 21 Si 0.65323917038861 0.30893031098549 0.62155988777742 28.085 > 21 22 Si 0.22588732084600 0.19342840939028 0.13260272835854 28.085 > 22 23 Si 0.77411267915400 0.69342840939028 0.36739727164146 28.085 > 23 24 Si 0.34676082961139 0.69106968901451 0.37844011222258 28.085 > 24 *25 O 0.30256609353456 0.95723188463382 0.83659437519143 15.999 > 25 *26 O 0.78088814661615 0.95536191282869 0.82951128392892 15.999 > 26 27 O 0.21911185338385 0.45536191282869 0.67048871607108 15.999 > 27 *28 O 0.22889783251600 0.28099593752384 0.25742646357146 15.999 > 28 *29 O 0.21902030281655 0.71967706676676 0.75929590949617 15.999 > 29 *30 O 0.43594841688596 0.23117632849523 0.12003847374027 15.999 > 30 31 O 0.69743390646544 0.45723188463381 0.66340562480857 15.999 > 31 32 O 0.43594841688596 0.26882367150477 0.62003847374027 15.999 > 32 33 O 0.78097969718345 0.28032293323324 0.24070409050383 15.999 > 33 *34 O 0.08643380379960 0.26460557551106 0.48918769377565 15.999 > 34 35 O 0.08643380379960 0.23539442448894 0.98918769377565 15.999 > 35 36 O 0.77110216748400 0.78099593752384 0.24257353642854 15.999 > 36 37 O 0.78097969718345 0.21967706676676 0.74070409050383 15.999 > 37 *38 O 0.36055639145642 0.73175093122933 0.52603985816377 15.999 > 38 39 O 0.77110216748400 0.71900406247616 0.74257353642854 15.999 > 39 40 O 0.36055639145642 0.76824906877067 0.02603985816377 15.999 > 40 41 O 0.21902030281655 0.78032293323324 0.25929590949617 15.999 > 41 42 O 0.91356619620040 0.76460557551106 0.01081230622435 15.999 > 42 43 O 0.63944360854358 0.26824906877067 0.47396014183622 15.999 > 43 44 O 0.69743390646544 0.04276811536618 0.16340562480857 15.999 > 44 45 O 0.22889783251600 0.21900406247616 0.75742646357146 15.999 > 45 46 O 0.63944360854358 0.23175093122933 0.97396014183623 15.999 > 46 47 O 0.56405158311404 0.73117632849523 0.37996152625973 15.999 > 47 48 O 0.56405158311404 0.76882367150477 0.87996152625973 15.999 > 48 49 O 0.78088814661615 0.54463808717131 0.32951128392892 15.999 > 49 50 O 0.21911185338385 0.04463808717131 0.17048871607108 15.999 > 50 51 O 0.30256609353456 0.54276811536618 0.33659437519143 15.999 > 51 52 O 0.91356619620040 0.73539442448894 0.51081230622435 15.999 > 52 *53 F 0.07497386911193 0.50040461860509 0.89686628624748 18.998 > 53 *54 F 0.42745799354069 0.99433642504757 0.60007610749588 18.998 > 54 55 F 0.57254200645931 0.00566357495243 0.39992389250412 18.998 > 55 56 F 0.07497386911193 0.99959538139491 0.39686628624748 18.998 > 56 57 F 0.57254200645931 0.49433642504757 0.89992389250412 18.998 > 57 58 F 0.42745799354069 0.50566357495243 0.10007610749588 18.998 > 58 59 F 0.92502613088807 0.49959538139491 0.10313371375252 18.998 > 59 60 F 0.92502613088807 0.00040461860509 0.60313371375252 18.998 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.994207620013416 0.000000000000000 0.000000000000000 b 0.000000000000000 10.494623040000002 0.000000000000000 c -3.612726930564235 0.000000000000000 10.240730616722601 Atomic positions (fractional): *1 Ca 0.41788148246137 0.13253696913845 0.41319718077561 40.078 > 1 2 Ca 0.91788148246137 0.13253696913845 0.41319718077561 40.078 > 1 3 Ca 0.41788148246137 0.36746303086156 0.91319718077561 40.078 > 2 4 Ca 0.91788148246137 0.36746303086156 0.91319718077561 40.078 > 2 *5 Ca 0.26454566608968 0.09727539836940 0.79779739446310 40.078 > 3 6 Ca 0.76454566608968 0.09727539836940 0.79779739446310 40.078 > 3 *7 Ca 0.33518414399777 0.63493713311485 0.07591364282534 40.078 > 4 8 Ca 0.83518414399776 0.63493713311485 0.07591364282534 40.078 > 4 9 Ca 0.16481585600224 0.36506286688515 0.92408635717466 40.078 > 5 10 Ca 0.66481585600224 0.36506286688515 0.92408635717466 40.078 > 5 11 Ca 0.23545433391032 0.59727539836940 0.70220260553690 40.078 > 6 12 Ca 0.73545433391032 0.59727539836940 0.70220260553690 40.078 > 6 *13 Ca 0.01460998163993 0.08517863983933 0.81552083343025 40.078 > 7 14 Ca 0.51460998163993 0.08517863983933 0.81552083343025 40.078 > 7 15 Ca 0.26454566608968 0.40272460163060 0.29779739446309 40.078 > 8 16 Ca 0.76454566608968 0.40272460163060 0.29779739446309 40.078 > 8 17 Ca 0.23545433391032 0.90272460163060 0.20220260553691 40.078 > 9 18 Ca 0.73545433391032 0.90272460163060 0.20220260553691 40.078 > 9 19 Ca 0.08211851753863 0.86746303086155 0.58680281922439 40.078 > 10 20 Ca 0.58211851753863 0.86746303086155 0.58680281922439 40.078 > 10 21 Ca 0.48539001836007 0.91482136016067 0.18447916656975 40.078 > 11 22 Ca 0.98539001836007 0.91482136016067 0.18447916656975 40.078 > 11 23 Ca 0.48539001836007 0.58517863983933 0.68447916656975 40.078 > 12 24 Ca 0.98539001836007 0.58517863983933 0.68447916656975 40.078 > 12 25 Ca 0.16481585600224 0.13493713311485 0.42408635717466 40.078 > 13 26 Ca 0.66481585600224 0.13493713311485 0.42408635717466 40.078 > 13 27 Ca 0.01460998163993 0.41482136016067 0.31552083343025 40.078 > 14 28 Ca 0.51460998163993 0.41482136016067 0.31552083343025 40.078 > 14 29 Ca 0.08211851753863 0.63253696913845 0.08680281922439 40.078 > 15 30 Ca 0.58211851753863 0.63253696913845 0.08680281922439 40.078 > 15 31 Ca 0.33518414399777 0.86506286688515 0.57591364282534 40.078 > 16 32 Ca 0.83518414399776 0.86506286688515 0.57591364282534 40.078 > 16 *33 Si 0.38705633957700 0.80657159060972 0.86739727164146 28.085 > 17 34 Si 0.88705633957700 0.80657159060972 0.86739727164146 28.085 > 17 35 Si 0.11294366042300 0.30657159060972 0.63260272835854 28.085 > 18 36 Si 0.61294366042300 0.30657159060972 0.63260272835854 28.085 > 18 *37 Si 0.17338041480569 0.80893031098549 0.87844011222258 28.085 > 19 38 Si 0.67338041480569 0.80893031098549 0.87844011222258 28.085 > 19 39 Si 0.32661958519431 0.19106968901451 0.12155988777742 28.085 > 20 40 Si 0.82661958519431 0.19106968901451 0.12155988777742 28.085 > 20 41 Si 0.32661958519431 0.30893031098549 0.62155988777742 28.085 > 21 42 Si 0.82661958519431 0.30893031098549 0.62155988777742 28.085 > 21 43 Si 0.11294366042300 0.19342840939028 0.13260272835854 28.085 > 22 44 Si 0.61294366042300 0.19342840939028 0.13260272835854 28.085 > 22 45 Si 0.38705633957700 0.69342840939028 0.36739727164146 28.085 > 23 46 Si 0.88705633957700 0.69342840939028 0.36739727164146 28.085 > 23 47 Si 0.17338041480569 0.69106968901451 0.37844011222258 28.085 > 24 48 Si 0.67338041480569 0.69106968901451 0.37844011222258 28.085 > 24 *49 O 0.15128304676728 0.95723188463382 0.83659437519143 15.999 > 25 50 O 0.65128304676728 0.95723188463382 0.83659437519143 15.999 > 25 *51 O 0.39044407330807 0.95536191282869 0.82951128392892 15.999 > 26 52 O 0.89044407330807 0.95536191282869 0.82951128392892 15.999 > 26 53 O 0.10955592669193 0.45536191282869 0.67048871607108 15.999 > 27 54 O 0.60955592669193 0.45536191282869 0.67048871607108 15.999 > 27 *55 O 0.11444891625800 0.28099593752384 0.25742646357146 15.999 > 28 56 O 0.61444891625800 0.28099593752384 0.25742646357146 15.999 > 28 *57 O 0.10951015140827 0.71967706676676 0.75929590949617 15.999 > 29 58 O 0.60951015140827 0.71967706676676 0.75929590949617 15.999 > 29 *59 O 0.21797420844298 0.23117632849523 0.12003847374027 15.999 > 30 60 O 0.71797420844298 0.23117632849523 0.12003847374027 15.999 > 30 61 O 0.34871695323272 0.45723188463381 0.66340562480857 15.999 > 31 62 O 0.84871695323272 0.45723188463381 0.66340562480857 15.999 > 31 63 O 0.21797420844298 0.26882367150477 0.62003847374027 15.999 > 32 64 O 0.71797420844298 0.26882367150477 0.62003847374027 15.999 > 32 65 O 0.39048984859173 0.28032293323324 0.24070409050383 15.999 > 33 66 O 0.89048984859173 0.28032293323324 0.24070409050383 15.999 > 33 *67 O 0.04321690189980 0.26460557551106 0.48918769377565 15.999 > 34 68 O 0.54321690189980 0.26460557551106 0.48918769377565 15.999 > 34 69 O 0.04321690189980 0.23539442448894 0.98918769377565 15.999 > 35 70 O 0.54321690189980 0.23539442448894 0.98918769377565 15.999 > 35 71 O 0.38555108374200 0.78099593752384 0.24257353642854 15.999 > 36 72 O 0.88555108374200 0.78099593752384 0.24257353642854 15.999 > 36 73 O 0.39048984859173 0.21967706676676 0.74070409050383 15.999 > 37 74 O 0.89048984859173 0.21967706676676 0.74070409050383 15.999 > 37 *75 O 0.18027819572821 0.73175093122933 0.52603985816377 15.999 > 38 76 O 0.68027819572821 0.73175093122933 0.52603985816377 15.999 > 38 77 O 0.38555108374200 0.71900406247616 0.74257353642854 15.999 > 39 78 O 0.88555108374200 0.71900406247616 0.74257353642854 15.999 > 39 79 O 0.18027819572821 0.76824906877067 0.02603985816377 15.999 > 40 80 O 0.68027819572821 0.76824906877067 0.02603985816377 15.999 > 40 81 O 0.10951015140827 0.78032293323324 0.25929590949617 15.999 > 41 82 O 0.60951015140827 0.78032293323324 0.25929590949617 15.999 > 41 83 O 0.45678309810020 0.76460557551106 0.01081230622435 15.999 > 42 84 O 0.95678309810020 0.76460557551106 0.01081230622435 15.999 > 42 85 O 0.31972180427179 0.26824906877067 0.47396014183622 15.999 > 43 86 O 0.81972180427179 0.26824906877067 0.47396014183622 15.999 > 43 87 O 0.34871695323272 0.04276811536618 0.16340562480857 15.999 > 44 88 O 0.84871695323272 0.04276811536618 0.16340562480857 15.999 > 44 89 O 0.11444891625800 0.21900406247616 0.75742646357146 15.999 > 45 90 O 0.61444891625800 0.21900406247616 0.75742646357146 15.999 > 45 91 O 0.31972180427179 0.23175093122933 0.97396014183623 15.999 > 46 92 O 0.81972180427179 0.23175093122933 0.97396014183623 15.999 > 46 93 O 0.28202579155702 0.73117632849523 0.37996152625973 15.999 > 47 94 O 0.78202579155702 0.73117632849523 0.37996152625973 15.999 > 47 95 O 0.28202579155702 0.76882367150477 0.87996152625973 15.999 > 48 96 O 0.78202579155702 0.76882367150477 0.87996152625973 15.999 > 48 97 O 0.39044407330807 0.54463808717131 0.32951128392892 15.999 > 49 98 O 0.89044407330807 0.54463808717131 0.32951128392892 15.999 > 49 99 O 0.10955592669193 0.04463808717131 0.17048871607108 15.999 > 50 100 O 0.60955592669193 0.04463808717131 0.17048871607108 15.999 > 50 101 O 0.15128304676728 0.54276811536618 0.33659437519143 15.999 > 51 102 O 0.65128304676728 0.54276811536618 0.33659437519143 15.999 > 51 103 O 0.45678309810020 0.73539442448894 0.51081230622435 15.999 > 52 104 O 0.95678309810020 0.73539442448894 0.51081230622435 15.999 > 52 *105 F 0.03748693455596 0.50040461860509 0.89686628624748 18.998 > 53 106 F 0.53748693455596 0.50040461860509 0.89686628624748 18.998 > 53 *107 F 0.21372899677034 0.99433642504757 0.60007610749588 18.998 > 54 108 F 0.71372899677034 0.99433642504757 0.60007610749588 18.998 > 54 109 F 0.28627100322966 0.00566357495243 0.39992389250412 18.998 > 55 110 F 0.78627100322966 0.00566357495243 0.39992389250412 18.998 > 55 111 F 0.03748693455596 0.99959538139491 0.39686628624748 18.998 > 56 112 F 0.53748693455596 0.99959538139491 0.39686628624748 18.998 > 56 113 F 0.28627100322966 0.49433642504757 0.89992389250412 18.998 > 57 114 F 0.78627100322966 0.49433642504757 0.89992389250412 18.998 > 57 115 F 0.21372899677034 0.50566357495243 0.10007610749588 18.998 > 58 116 F 0.71372899677034 0.50566357495243 0.10007610749588 18.998 > 58 117 F 0.46251306544404 0.49959538139491 0.10313371375252 18.998 > 59 118 F 0.96251306544404 0.49959538139491 0.10313371375252 18.998 > 59 119 F 0.46251306544404 0.00040461860509 0.60313371375252 18.998 > 60 120 F 0.96251306544404 0.00040461860509 0.60313371375252 18.998 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8185718 0.0000000 0.0089024 0.0000000 2.8353821 0.0000000 0.0089034 0.0000000 2.8483537 -------------------------- Born effective charges -------------------------- 1 Ca 2.4770391 0.0120660 0.0537783 0.0232871 2.3609513 -0.0570732 0.0424723 0.0333705 2.3530488 2 Ca 2.4770391 -0.0120660 0.0537783 -0.0232871 2.3609513 0.0570732 0.0424723 -0.0333705 2.3530488 3 Ca 2.3213427 -0.0180807 -0.0236155 -0.0081972 2.5390857 0.0023697 0.0032889 0.0539344 2.2169222 4 Ca 2.2555777 0.0013132 -0.0247801 0.0200507 2.3640303 0.0030743 -0.0012167 -0.0190304 2.5464337 5 Ca 2.2555777 0.0013132 -0.0247801 0.0200507 2.3640303 0.0030743 -0.0012167 -0.0190304 2.5464337 6 Ca 2.3213427 0.0180807 -0.0236155 0.0081972 2.5390857 -0.0023697 0.0032889 -0.0539344 2.2169222 7 Ca 2.6922736 0.0070324 0.0661514 -0.0069241 2.5018772 0.0869216 0.0396076 0.0815165 2.1447340 8 Ca 2.3213427 0.0180807 -0.0236155 0.0081972 2.5390857 -0.0023697 0.0032889 -0.0539344 2.2169222 9 Ca 2.3213427 -0.0180807 -0.0236155 -0.0081972 2.5390857 0.0023697 0.0032889 0.0539344 2.2169222 10 Ca 2.4770391 0.0120660 0.0537783 0.0232871 2.3609513 -0.0570732 0.0424723 0.0333705 2.3530488 11 Ca 2.6922736 0.0070324 0.0661514 -0.0069241 2.5018772 0.0869216 0.0396076 0.0815165 2.1447340 12 Ca 2.6922736 -0.0070324 0.0661514 0.0069241 2.5018772 -0.0869216 0.0396076 -0.0815165 2.1447340 13 Ca 2.2555777 -0.0013132 -0.0247801 -0.0200507 2.3640303 -0.0030743 -0.0012167 0.0190304 2.5464337 14 Ca 2.6922736 -0.0070324 0.0661514 0.0069241 2.5018772 -0.0869216 0.0396076 -0.0815165 2.1447340 15 Ca 2.4770391 -0.0120660 0.0537783 -0.0232871 2.3609513 0.0570732 0.0424723 -0.0333705 2.3530488 16 Ca 2.2555777 -0.0013132 -0.0247801 -0.0200507 2.3640303 -0.0030743 -0.0012167 0.0190304 2.5464337 17 Si 2.7756205 0.1499118 -0.0390125 0.0825505 2.7734598 -0.0915747 -0.0300449 -0.0777840 3.0804323 18 Si 2.7756205 -0.1499118 -0.0390125 -0.0825505 2.7734598 0.0915747 -0.0300449 0.0777840 3.0804323 19 Si 2.7560469 -0.1497530 0.0493750 -0.0829342 2.7905535 -0.0512436 0.0168451 -0.0873663 3.1065022 20 Si 2.7560469 -0.1497530 0.0493750 -0.0829342 2.7905535 -0.0512436 0.0168451 -0.0873663 3.1065022 21 Si 2.7560469 0.1497530 0.0493750 0.0829342 2.7905535 0.0512436 0.0168451 0.0873663 3.1065022 22 Si 2.7756205 0.1499118 -0.0390125 0.0825505 2.7734598 -0.0915747 -0.0300449 -0.0777840 3.0804323 23 Si 2.7756205 -0.1499118 -0.0390125 -0.0825505 2.7734598 0.0915747 -0.0300449 0.0777840 3.0804323 24 Si 2.7560469 0.1497530 0.0493750 0.0829342 2.7905535 0.0512436 0.0168451 0.0873663 3.1065022 25 O -1.5933195 0.1207094 -0.0467800 0.0615041 -2.2802389 0.1765357 -0.0270098 0.1732823 -1.4609488 26 O -1.6231286 -0.1242911 0.0244281 -0.0681413 -2.3144999 0.1762238 0.0147743 0.1686180 -1.4429231 27 O -1.6231286 0.1242911 0.0244281 0.0681413 -2.3144999 -0.1762238 0.0147743 -0.1686180 -1.4429231 28 O -1.6845429 0.2254054 0.2682463 0.1616283 -1.8474942 -0.2782531 0.1753644 -0.2422240 -2.0098127 29 O -1.7206258 -0.2735720 -0.3073094 -0.2113727 -1.8608814 -0.3415098 -0.2079692 -0.2971491 -1.9376993 30 O -2.9006828 0.0169194 0.0466440 0.0208205 -1.3236667 0.0273616 0.0501340 0.0818262 -1.4566698 31 O -1.5933195 -0.1207094 -0.0467800 -0.0615041 -2.2802389 -0.1765357 -0.0270098 -0.1732823 -1.4609488 32 O -2.9006828 -0.0169194 0.0466440 -0.0208205 -1.3236667 -0.0273616 0.0501340 -0.0818262 -1.4566698 33 O -1.7206258 -0.2735720 -0.3073094 -0.2113727 -1.8608814 -0.3415098 -0.2079692 -0.2971491 -1.9376993 34 O -1.7050348 -0.1774363 -0.3688712 -0.1370662 -1.5233957 -0.1944190 -0.2738949 -0.2274394 -2.2045493 35 O -1.7050348 0.1774363 -0.3688712 0.1370662 -1.5233957 0.1944190 -0.2738949 0.2274394 -2.2045493 36 O -1.6845429 -0.2254054 0.2682463 -0.1616283 -1.8474942 0.2782531 0.1753644 0.2422240 -2.0098127 37 O -1.7206258 0.2735720 -0.3073094 0.2113727 -1.8608814 0.3415098 -0.2079692 0.2971491 -1.9376993 38 O -1.6236708 0.1647663 0.3137942 0.1275949 -1.5191672 -0.1045640 0.2185354 -0.1523123 -2.3388619 39 O -1.6845429 0.2254054 0.2682463 0.1616283 -1.8474942 -0.2782531 0.1753644 -0.2422240 -2.0098127 40 O -1.6236708 -0.1647663 0.3137942 -0.1275949 -1.5191672 0.1045640 0.2185354 0.1523123 -2.3388619 41 O -1.7206258 0.2735720 -0.3073094 0.2113727 -1.8608814 0.3415098 -0.2079692 0.2971491 -1.9376993 42 O -1.7050348 0.1774363 -0.3688712 0.1370662 -1.5233957 0.1944190 -0.2738949 0.2274394 -2.2045493 43 O -1.6236708 0.1647663 0.3137942 0.1275949 -1.5191672 -0.1045640 0.2185354 -0.1523123 -2.3388619 44 O -1.5933195 0.1207094 -0.0467800 0.0615041 -2.2802389 0.1765357 -0.0270098 0.1732823 -1.4609488 45 O -1.6845429 -0.2254054 0.2682463 -0.1616283 -1.8474942 0.2782531 0.1753644 0.2422240 -2.0098127 46 O -1.6236708 -0.1647663 0.3137942 -0.1275949 -1.5191672 0.1045640 0.2185354 0.1523123 -2.3388619 47 O -2.9006828 -0.0169194 0.0466440 -0.0208205 -1.3236667 -0.0273616 0.0501340 -0.0818262 -1.4566698 48 O -2.9006828 0.0169194 0.0466440 0.0208205 -1.3236667 0.0273616 0.0501340 0.0818262 -1.4566698 49 O -1.6231286 0.1242911 0.0244281 0.0681413 -2.3144999 -0.1762238 0.0147743 -0.1686180 -1.4429231 50 O -1.6231286 -0.1242911 0.0244281 -0.0681413 -2.3144999 0.1762238 0.0147743 0.1686180 -1.4429231 51 O -1.5933195 -0.1207094 -0.0467800 -0.0615041 -2.2802389 -0.1765357 -0.0270098 -0.1732823 -1.4609488 52 O -1.7050348 -0.1774363 -0.3688712 -0.1370662 -1.5233957 -0.1944190 -0.2738949 -0.2274394 -2.2045493 53 F -1.2470143 0.0186615 -0.0152121 0.0121266 -1.2972684 0.0069856 -0.0110220 0.0306693 -1.2825303 54 F -1.1798810 0.0190027 0.0031636 0.0144120 -1.3633455 0.0197528 -0.0098642 -0.0224457 -1.3140780 55 F -1.1798810 0.0190027 0.0031636 0.0144120 -1.3633455 0.0197528 -0.0098642 -0.0224457 -1.3140780 56 F -1.2470143 -0.0186615 -0.0152121 -0.0121266 -1.2972684 -0.0069856 -0.0110220 -0.0306693 -1.2825303 57 F -1.1798810 -0.0190027 0.0031636 -0.0144120 -1.3633455 -0.0197528 -0.0098642 0.0224457 -1.3140780 58 F -1.1798810 -0.0190027 0.0031636 -0.0144120 -1.3633455 -0.0197528 -0.0098642 0.0224457 -1.3140780 59 F -1.2470143 0.0186615 -0.0152121 0.0121266 -1.2972684 0.0069856 -0.0110220 0.0306693 -1.2825303 60 F -1.2470143 -0.0186615 -0.0152121 -0.0121266 -1.2972684 -0.0069856 -0.0110220 -0.0306693 -1.2825303 ---------------------------------------------------------------------------- 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) 229 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1800 / 1800 (1) 277 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) 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: 3 / 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) 229 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1800 / 1800 (1) 277 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 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, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 277), data: True |-- (500, 471), data: False |-- (500, 26), data: (500, 55) @ (55, 26) |-- (250, 224), data: True |-- (250, 221), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 227), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 21), data: (500, 51) @ (51, 21) |-- (250, 229), data: True |-- (250, 220), 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, 277), data: True |-- (500, 471), data: False |-- (500, 26), data: (500, 55) @ (55, 26) |-- (250, 224), data: True |-- (250, 221), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 227), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 21), data: (500, 51) @ (51, 21) |-- (250, 229), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.354 Solver_block: 200 / 1840 - Time: 2.045 Solver_block: 300 / 1840 - Time: 2.046 Solver_block: 400 / 1840 - Time: 2.054 Solver_block: 500 / 1840 - Time: 2.046 Solver_block: 600 / 1840 - Time: 2.053 Solver_block: 700 / 1840 - Time: 2.051 Solver_block: 800 / 1840 - Time: 2.042 Solver_block: 900 / 1840 - Time: 2.049 Solver_block: 1000 / 1840 - Time: 2.042 Solver_block: 1100 / 1840 - Time: 2.050 Solver_block: 1200 / 1840 - Time: 2.045 Solver_block: 1300 / 1840 - Time: 2.052 Solver_block: 1400 / 1840 - Time: 2.038 Solver_block: 1500 / 1840 - Time: 2.049 Solver_block: 1600 / 1840 - Time: 2.052 Solver_block: 1700 / 1840 - Time: 2.049 Solver_block: 1800 / 1840 - Time: 2.050 Solver_block: 1840 / 1840 - Time: 1.015 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 39.244 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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) 229 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1800 / 1800 (1) 277 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) 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: 3 / 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) 229 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1800 / 1800 (1) 277 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 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, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 277), data: True |-- (500, 471), data: False |-- (500, 26), data: (500, 55) @ (55, 26) |-- (250, 224), data: True |-- (250, 221), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 227), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 21), data: (500, 51) @ (51, 21) |-- (250, 229), data: True |-- (250, 220), 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, 277), data: True |-- (500, 471), data: False |-- (500, 26), data: (500, 55) @ (55, 26) |-- (250, 224), data: True |-- (250, 221), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 227), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 21), data: (500, 51) @ (51, 21) |-- (250, 229), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:34:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:34:39]------------------------- 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 7.497103810006708 0.000000000000000 0.000000000000000 b 0.000000000000000 10.494623040000002 0.000000000000000 c -3.612726930564235 0.000000000000000 10.240730616722601 Atomic positions (fractional): 1 Ca 0.83576296492274 0.13253696913845 0.41319718077561 40.078 2 Ca 0.83576296492274 0.36746303086156 0.91319718077561 40.078 3 Ca 0.52909133217936 0.09727539836940 0.79779739446310 40.078 4 Ca 0.67036828799553 0.63493713311485 0.07591364282534 40.078 5 Ca 0.32963171200447 0.36506286688515 0.92408635717466 40.078 6 Ca 0.47090866782064 0.59727539836940 0.70220260553690 40.078 7 Ca 0.02921996327985 0.08517863983933 0.81552083343025 40.078 8 Ca 0.52909133217936 0.40272460163060 0.29779739446309 40.078 9 Ca 0.47090866782064 0.90272460163060 0.20220260553691 40.078 10 Ca 0.16423703507726 0.86746303086155 0.58680281922439 40.078 11 Ca 0.97078003672015 0.91482136016067 0.18447916656975 40.078 12 Ca 0.97078003672015 0.58517863983933 0.68447916656975 40.078 13 Ca 0.32963171200447 0.13493713311485 0.42408635717466 40.078 14 Ca 0.02921996327985 0.41482136016067 0.31552083343025 40.078 15 Ca 0.16423703507726 0.63253696913845 0.08680281922439 40.078 16 Ca 0.67036828799553 0.86506286688515 0.57591364282534 40.078 17 Si 0.77411267915400 0.80657159060972 0.86739727164146 28.085 18 Si 0.22588732084600 0.30657159060972 0.63260272835854 28.085 19 Si 0.34676082961139 0.80893031098549 0.87844011222258 28.085 20 Si 0.65323917038861 0.19106968901451 0.12155988777742 28.085 21 Si 0.65323917038861 0.30893031098549 0.62155988777742 28.085 22 Si 0.22588732084600 0.19342840939028 0.13260272835854 28.085 23 Si 0.77411267915400 0.69342840939028 0.36739727164146 28.085 24 Si 0.34676082961139 0.69106968901451 0.37844011222258 28.085 25 O 0.30256609353456 0.95723188463382 0.83659437519143 15.999 26 O 0.78088814661615 0.95536191282869 0.82951128392892 15.999 27 O 0.21911185338385 0.45536191282869 0.67048871607108 15.999 28 O 0.22889783251600 0.28099593752384 0.25742646357146 15.999 29 O 0.21902030281655 0.71967706676676 0.75929590949617 15.999 30 O 0.43594841688596 0.23117632849523 0.12003847374027 15.999 31 O 0.69743390646544 0.45723188463381 0.66340562480857 15.999 32 O 0.43594841688596 0.26882367150477 0.62003847374027 15.999 33 O 0.78097969718345 0.28032293323324 0.24070409050383 15.999 34 O 0.08643380379960 0.26460557551106 0.48918769377565 15.999 35 O 0.08643380379960 0.23539442448894 0.98918769377565 15.999 36 O 0.77110216748400 0.78099593752384 0.24257353642854 15.999 37 O 0.78097969718345 0.21967706676676 0.74070409050383 15.999 38 O 0.36055639145642 0.73175093122933 0.52603985816377 15.999 39 O 0.77110216748400 0.71900406247616 0.74257353642854 15.999 40 O 0.36055639145642 0.76824906877067 0.02603985816377 15.999 41 O 0.21902030281655 0.78032293323324 0.25929590949617 15.999 42 O 0.91356619620040 0.76460557551106 0.01081230622435 15.999 43 O 0.63944360854358 0.26824906877067 0.47396014183622 15.999 44 O 0.69743390646544 0.04276811536618 0.16340562480857 15.999 45 O 0.22889783251600 0.21900406247616 0.75742646357146 15.999 46 O 0.63944360854358 0.23175093122933 0.97396014183623 15.999 47 O 0.56405158311404 0.73117632849523 0.37996152625973 15.999 48 O 0.56405158311404 0.76882367150477 0.87996152625973 15.999 49 O 0.78088814661615 0.54463808717131 0.32951128392892 15.999 50 O 0.21911185338385 0.04463808717131 0.17048871607108 15.999 51 O 0.30256609353456 0.54276811536618 0.33659437519143 15.999 52 O 0.91356619620040 0.73539442448894 0.51081230622435 15.999 53 F 0.07497386911193 0.50040461860509 0.89686628624748 18.998 54 F 0.42745799354069 0.99433642504757 0.60007610749588 18.998 55 F 0.57254200645931 0.00566357495243 0.39992389250412 18.998 56 F 0.07497386911193 0.99959538139491 0.39686628624748 18.998 57 F 0.57254200645931 0.49433642504757 0.89992389250412 18.998 58 F 0.42745799354069 0.50566357495243 0.10007610749588 18.998 59 F 0.92502613088807 0.49959538139491 0.10313371375252 18.998 60 F 0.92502613088807 0.00040461860509 0.60313371375252 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.994207620013416 0.000000000000000 0.000000000000000 b 0.000000000000000 10.494623040000002 0.000000000000000 c -3.612726930564235 0.000000000000000 10.240730616722601 Atomic positions (fractional): 1 Ca 0.41788148246137 0.13253696913845 0.41319718077561 40.078 > 1 2 Ca 0.91788148246137 0.13253696913845 0.41319718077561 40.078 > 1 3 Ca 0.41788148246137 0.36746303086156 0.91319718077561 40.078 > 3 4 Ca 0.91788148246137 0.36746303086156 0.91319718077561 40.078 > 3 5 Ca 0.26454566608968 0.09727539836940 0.79779739446310 40.078 > 5 6 Ca 0.76454566608968 0.09727539836940 0.79779739446310 40.078 > 5 7 Ca 0.33518414399777 0.63493713311485 0.07591364282534 40.078 > 7 8 Ca 0.83518414399776 0.63493713311485 0.07591364282534 40.078 > 7 9 Ca 0.16481585600224 0.36506286688515 0.92408635717466 40.078 > 9 10 Ca 0.66481585600224 0.36506286688515 0.92408635717466 40.078 > 9 11 Ca 0.23545433391032 0.59727539836940 0.70220260553690 40.078 > 11 12 Ca 0.73545433391032 0.59727539836940 0.70220260553690 40.078 > 11 13 Ca 0.01460998163993 0.08517863983933 0.81552083343025 40.078 > 13 14 Ca 0.51460998163993 0.08517863983933 0.81552083343025 40.078 > 13 15 Ca 0.26454566608968 0.40272460163060 0.29779739446309 40.078 > 15 16 Ca 0.76454566608968 0.40272460163060 0.29779739446309 40.078 > 15 17 Ca 0.23545433391032 0.90272460163060 0.20220260553691 40.078 > 17 18 Ca 0.73545433391032 0.90272460163060 0.20220260553691 40.078 > 17 19 Ca 0.08211851753863 0.86746303086155 0.58680281922439 40.078 > 19 20 Ca 0.58211851753863 0.86746303086155 0.58680281922439 40.078 > 19 21 Ca 0.48539001836007 0.91482136016067 0.18447916656975 40.078 > 21 22 Ca 0.98539001836007 0.91482136016067 0.18447916656975 40.078 > 21 23 Ca 0.48539001836007 0.58517863983933 0.68447916656975 40.078 > 23 24 Ca 0.98539001836007 0.58517863983933 0.68447916656975 40.078 > 23 25 Ca 0.16481585600224 0.13493713311485 0.42408635717466 40.078 > 25 26 Ca 0.66481585600224 0.13493713311485 0.42408635717466 40.078 > 25 27 Ca 0.01460998163993 0.41482136016067 0.31552083343025 40.078 > 27 28 Ca 0.51460998163993 0.41482136016067 0.31552083343025 40.078 > 27 29 Ca 0.08211851753863 0.63253696913845 0.08680281922439 40.078 > 29 30 Ca 0.58211851753863 0.63253696913845 0.08680281922439 40.078 > 29 31 Ca 0.33518414399777 0.86506286688515 0.57591364282534 40.078 > 31 32 Ca 0.83518414399776 0.86506286688515 0.57591364282534 40.078 > 31 33 Si 0.38705633957700 0.80657159060972 0.86739727164146 28.085 > 33 34 Si 0.88705633957700 0.80657159060972 0.86739727164146 28.085 > 33 35 Si 0.11294366042300 0.30657159060972 0.63260272835854 28.085 > 35 36 Si 0.61294366042300 0.30657159060972 0.63260272835854 28.085 > 35 37 Si 0.17338041480569 0.80893031098549 0.87844011222258 28.085 > 37 38 Si 0.67338041480569 0.80893031098549 0.87844011222258 28.085 > 37 39 Si 0.32661958519431 0.19106968901451 0.12155988777742 28.085 > 39 40 Si 0.82661958519431 0.19106968901451 0.12155988777742 28.085 > 39 41 Si 0.32661958519431 0.30893031098549 0.62155988777742 28.085 > 41 42 Si 0.82661958519431 0.30893031098549 0.62155988777742 28.085 > 41 43 Si 0.11294366042300 0.19342840939028 0.13260272835854 28.085 > 43 44 Si 0.61294366042300 0.19342840939028 0.13260272835854 28.085 > 43 45 Si 0.38705633957700 0.69342840939028 0.36739727164146 28.085 > 45 46 Si 0.88705633957700 0.69342840939028 0.36739727164146 28.085 > 45 47 Si 0.17338041480569 0.69106968901451 0.37844011222258 28.085 > 47 48 Si 0.67338041480569 0.69106968901451 0.37844011222258 28.085 > 47 49 O 0.15128304676728 0.95723188463382 0.83659437519143 15.999 > 49 50 O 0.65128304676728 0.95723188463382 0.83659437519143 15.999 > 49 51 O 0.39044407330807 0.95536191282869 0.82951128392892 15.999 > 51 52 O 0.89044407330807 0.95536191282869 0.82951128392892 15.999 > 51 53 O 0.10955592669193 0.45536191282869 0.67048871607108 15.999 > 53 54 O 0.60955592669193 0.45536191282869 0.67048871607108 15.999 > 53 55 O 0.11444891625800 0.28099593752384 0.25742646357146 15.999 > 55 56 O 0.61444891625800 0.28099593752384 0.25742646357146 15.999 > 55 57 O 0.10951015140827 0.71967706676676 0.75929590949617 15.999 > 57 58 O 0.60951015140827 0.71967706676676 0.75929590949617 15.999 > 57 59 O 0.21797420844298 0.23117632849523 0.12003847374027 15.999 > 59 60 O 0.71797420844298 0.23117632849523 0.12003847374027 15.999 > 59 61 O 0.34871695323272 0.45723188463381 0.66340562480857 15.999 > 61 62 O 0.84871695323272 0.45723188463381 0.66340562480857 15.999 > 61 63 O 0.21797420844298 0.26882367150477 0.62003847374027 15.999 > 63 64 O 0.71797420844298 0.26882367150477 0.62003847374027 15.999 > 63 65 O 0.39048984859173 0.28032293323324 0.24070409050383 15.999 > 65 66 O 0.89048984859173 0.28032293323324 0.24070409050383 15.999 > 65 67 O 0.04321690189980 0.26460557551106 0.48918769377565 15.999 > 67 68 O 0.54321690189980 0.26460557551106 0.48918769377565 15.999 > 67 69 O 0.04321690189980 0.23539442448894 0.98918769377565 15.999 > 69 70 O 0.54321690189980 0.23539442448894 0.98918769377565 15.999 > 69 71 O 0.38555108374200 0.78099593752384 0.24257353642854 15.999 > 71 72 O 0.88555108374200 0.78099593752384 0.24257353642854 15.999 > 71 73 O 0.39048984859173 0.21967706676676 0.74070409050383 15.999 > 73 74 O 0.89048984859173 0.21967706676676 0.74070409050383 15.999 > 73 75 O 0.18027819572821 0.73175093122933 0.52603985816377 15.999 > 75 76 O 0.68027819572821 0.73175093122933 0.52603985816377 15.999 > 75 77 O 0.38555108374200 0.71900406247616 0.74257353642854 15.999 > 77 78 O 0.88555108374200 0.71900406247616 0.74257353642854 15.999 > 77 79 O 0.18027819572821 0.76824906877067 0.02603985816377 15.999 > 79 80 O 0.68027819572821 0.76824906877067 0.02603985816377 15.999 > 79 81 O 0.10951015140827 0.78032293323324 0.25929590949617 15.999 > 81 82 O 0.60951015140827 0.78032293323324 0.25929590949617 15.999 > 81 83 O 0.45678309810020 0.76460557551106 0.01081230622435 15.999 > 83 84 O 0.95678309810020 0.76460557551106 0.01081230622435 15.999 > 83 85 O 0.31972180427179 0.26824906877067 0.47396014183622 15.999 > 85 86 O 0.81972180427179 0.26824906877067 0.47396014183622 15.999 > 85 87 O 0.34871695323272 0.04276811536618 0.16340562480857 15.999 > 87 88 O 0.84871695323272 0.04276811536618 0.16340562480857 15.999 > 87 89 O 0.11444891625800 0.21900406247616 0.75742646357146 15.999 > 89 90 O 0.61444891625800 0.21900406247616 0.75742646357146 15.999 > 89 91 O 0.31972180427179 0.23175093122933 0.97396014183623 15.999 > 91 92 O 0.81972180427179 0.23175093122933 0.97396014183623 15.999 > 91 93 O 0.28202579155702 0.73117632849523 0.37996152625973 15.999 > 93 94 O 0.78202579155702 0.73117632849523 0.37996152625973 15.999 > 93 95 O 0.28202579155702 0.76882367150477 0.87996152625973 15.999 > 95 96 O 0.78202579155702 0.76882367150477 0.87996152625973 15.999 > 95 97 O 0.39044407330807 0.54463808717131 0.32951128392892 15.999 > 97 98 O 0.89044407330807 0.54463808717131 0.32951128392892 15.999 > 97 99 O 0.10955592669193 0.04463808717131 0.17048871607108 15.999 > 99 100 O 0.60955592669193 0.04463808717131 0.17048871607108 15.999 > 99 101 O 0.15128304676728 0.54276811536618 0.33659437519143 15.999 > 101 102 O 0.65128304676728 0.54276811536618 0.33659437519143 15.999 > 101 103 O 0.45678309810020 0.73539442448894 0.51081230622435 15.999 > 103 104 O 0.95678309810020 0.73539442448894 0.51081230622435 15.999 > 103 105 F 0.03748693455596 0.50040461860509 0.89686628624748 18.998 > 105 106 F 0.53748693455596 0.50040461860509 0.89686628624748 18.998 > 105 107 F 0.21372899677034 0.99433642504757 0.60007610749588 18.998 > 107 108 F 0.71372899677034 0.99433642504757 0.60007610749588 18.998 > 107 109 F 0.28627100322966 0.00566357495243 0.39992389250412 18.998 > 109 110 F 0.78627100322966 0.00566357495243 0.39992389250412 18.998 > 109 111 F 0.03748693455596 0.99959538139491 0.39686628624748 18.998 > 111 112 F 0.53748693455596 0.99959538139491 0.39686628624748 18.998 > 111 113 F 0.28627100322966 0.49433642504757 0.89992389250412 18.998 > 113 114 F 0.78627100322966 0.49433642504757 0.89992389250412 18.998 > 113 115 F 0.21372899677034 0.50566357495243 0.10007610749588 18.998 > 115 116 F 0.71372899677034 0.50566357495243 0.10007610749588 18.998 > 115 117 F 0.46251306544404 0.49959538139491 0.10313371375252 18.998 > 117 118 F 0.96251306544404 0.49959538139491 0.10313371375252 18.998 > 117 119 F 0.46251306544404 0.00040461860509 0.60313371375252 18.998 > 119 120 F 0.96251306544404 0.00040461860509 0.60313371375252 18.998 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8185718 0.0000000 0.0089024 0.0000000 2.8353821 0.0000000 0.0089034 0.0000000 2.8483537 -------------------------- Born effective charges -------------------------- 1 Ca 2.4770391 0.0120660 0.0537783 0.0232871 2.3609513 -0.0570732 0.0424723 0.0333705 2.3530488 2 Ca 2.4770391 -0.0120660 0.0537783 -0.0232871 2.3609513 0.0570732 0.0424723 -0.0333705 2.3530488 3 Ca 2.3213427 -0.0180807 -0.0236155 -0.0081972 2.5390857 0.0023697 0.0032889 0.0539344 2.2169222 4 Ca 2.2555777 0.0013132 -0.0247801 0.0200507 2.3640303 0.0030743 -0.0012167 -0.0190304 2.5464337 5 Ca 2.2555777 0.0013132 -0.0247801 0.0200507 2.3640303 0.0030743 -0.0012167 -0.0190304 2.5464337 6 Ca 2.3213427 0.0180807 -0.0236155 0.0081972 2.5390857 -0.0023697 0.0032889 -0.0539344 2.2169222 7 Ca 2.6922736 0.0070324 0.0661514 -0.0069241 2.5018772 0.0869216 0.0396076 0.0815165 2.1447340 8 Ca 2.3213427 0.0180807 -0.0236155 0.0081972 2.5390857 -0.0023697 0.0032889 -0.0539344 2.2169222 9 Ca 2.3213427 -0.0180807 -0.0236155 -0.0081972 2.5390857 0.0023697 0.0032889 0.0539344 2.2169222 10 Ca 2.4770391 0.0120660 0.0537783 0.0232871 2.3609513 -0.0570732 0.0424723 0.0333705 2.3530488 11 Ca 2.6922736 0.0070324 0.0661514 -0.0069241 2.5018772 0.0869216 0.0396076 0.0815165 2.1447340 12 Ca 2.6922736 -0.0070324 0.0661514 0.0069241 2.5018772 -0.0869216 0.0396076 -0.0815165 2.1447340 13 Ca 2.2555777 -0.0013132 -0.0247801 -0.0200507 2.3640303 -0.0030743 -0.0012167 0.0190304 2.5464337 14 Ca 2.6922736 -0.0070324 0.0661514 0.0069241 2.5018772 -0.0869216 0.0396076 -0.0815165 2.1447340 15 Ca 2.4770391 -0.0120660 0.0537783 -0.0232871 2.3609513 0.0570732 0.0424723 -0.0333705 2.3530488 16 Ca 2.2555777 -0.0013132 -0.0247801 -0.0200507 2.3640303 -0.0030743 -0.0012167 0.0190304 2.5464337 17 Si 2.7756205 0.1499118 -0.0390125 0.0825505 2.7734598 -0.0915747 -0.0300449 -0.0777840 3.0804323 18 Si 2.7756205 -0.1499118 -0.0390125 -0.0825505 2.7734598 0.0915747 -0.0300449 0.0777840 3.0804323 19 Si 2.7560469 -0.1497530 0.0493750 -0.0829342 2.7905535 -0.0512436 0.0168451 -0.0873663 3.1065022 20 Si 2.7560469 -0.1497530 0.0493750 -0.0829342 2.7905535 -0.0512436 0.0168451 -0.0873663 3.1065022 21 Si 2.7560469 0.1497530 0.0493750 0.0829342 2.7905535 0.0512436 0.0168451 0.0873663 3.1065022 22 Si 2.7756205 0.1499118 -0.0390125 0.0825505 2.7734598 -0.0915747 -0.0300449 -0.0777840 3.0804323 23 Si 2.7756205 -0.1499118 -0.0390125 -0.0825505 2.7734598 0.0915747 -0.0300449 0.0777840 3.0804323 24 Si 2.7560469 0.1497530 0.0493750 0.0829342 2.7905535 0.0512436 0.0168451 0.0873663 3.1065022 25 O -1.5933195 0.1207094 -0.0467800 0.0615041 -2.2802389 0.1765357 -0.0270098 0.1732823 -1.4609488 26 O -1.6231286 -0.1242911 0.0244281 -0.0681413 -2.3144999 0.1762238 0.0147743 0.1686180 -1.4429231 27 O -1.6231286 0.1242911 0.0244281 0.0681413 -2.3144999 -0.1762238 0.0147743 -0.1686180 -1.4429231 28 O -1.6845429 0.2254054 0.2682463 0.1616283 -1.8474942 -0.2782531 0.1753644 -0.2422240 -2.0098127 29 O -1.7206258 -0.2735720 -0.3073094 -0.2113727 -1.8608814 -0.3415098 -0.2079692 -0.2971491 -1.9376993 30 O -2.9006828 0.0169194 0.0466440 0.0208205 -1.3236667 0.0273616 0.0501340 0.0818262 -1.4566698 31 O -1.5933195 -0.1207094 -0.0467800 -0.0615041 -2.2802389 -0.1765357 -0.0270098 -0.1732823 -1.4609488 32 O -2.9006828 -0.0169194 0.0466440 -0.0208205 -1.3236667 -0.0273616 0.0501340 -0.0818262 -1.4566698 33 O -1.7206258 -0.2735720 -0.3073094 -0.2113727 -1.8608814 -0.3415098 -0.2079692 -0.2971491 -1.9376993 34 O -1.7050348 -0.1774363 -0.3688712 -0.1370662 -1.5233957 -0.1944190 -0.2738949 -0.2274394 -2.2045493 35 O -1.7050348 0.1774363 -0.3688712 0.1370662 -1.5233957 0.1944190 -0.2738949 0.2274394 -2.2045493 36 O -1.6845429 -0.2254054 0.2682463 -0.1616283 -1.8474942 0.2782531 0.1753644 0.2422240 -2.0098127 37 O -1.7206258 0.2735720 -0.3073094 0.2113727 -1.8608814 0.3415098 -0.2079692 0.2971491 -1.9376993 38 O -1.6236708 0.1647663 0.3137942 0.1275949 -1.5191672 -0.1045640 0.2185354 -0.1523123 -2.3388619 39 O -1.6845429 0.2254054 0.2682463 0.1616283 -1.8474942 -0.2782531 0.1753644 -0.2422240 -2.0098127 40 O -1.6236708 -0.1647663 0.3137942 -0.1275949 -1.5191672 0.1045640 0.2185354 0.1523123 -2.3388619 41 O -1.7206258 0.2735720 -0.3073094 0.2113727 -1.8608814 0.3415098 -0.2079692 0.2971491 -1.9376993 42 O -1.7050348 0.1774363 -0.3688712 0.1370662 -1.5233957 0.1944190 -0.2738949 0.2274394 -2.2045493 43 O -1.6236708 0.1647663 0.3137942 0.1275949 -1.5191672 -0.1045640 0.2185354 -0.1523123 -2.3388619 44 O -1.5933195 0.1207094 -0.0467800 0.0615041 -2.2802389 0.1765357 -0.0270098 0.1732823 -1.4609488 45 O -1.6845429 -0.2254054 0.2682463 -0.1616283 -1.8474942 0.2782531 0.1753644 0.2422240 -2.0098127 46 O -1.6236708 -0.1647663 0.3137942 -0.1275949 -1.5191672 0.1045640 0.2185354 0.1523123 -2.3388619 47 O -2.9006828 -0.0169194 0.0466440 -0.0208205 -1.3236667 -0.0273616 0.0501340 -0.0818262 -1.4566698 48 O -2.9006828 0.0169194 0.0466440 0.0208205 -1.3236667 0.0273616 0.0501340 0.0818262 -1.4566698 49 O -1.6231286 0.1242911 0.0244281 0.0681413 -2.3144999 -0.1762238 0.0147743 -0.1686180 -1.4429231 50 O -1.6231286 -0.1242911 0.0244281 -0.0681413 -2.3144999 0.1762238 0.0147743 0.1686180 -1.4429231 51 O -1.5933195 -0.1207094 -0.0467800 -0.0615041 -2.2802389 -0.1765357 -0.0270098 -0.1732823 -1.4609488 52 O -1.7050348 -0.1774363 -0.3688712 -0.1370662 -1.5233957 -0.1944190 -0.2738949 -0.2274394 -2.2045493 53 F -1.2470143 0.0186615 -0.0152121 0.0121266 -1.2972684 0.0069856 -0.0110220 0.0306693 -1.2825303 54 F -1.1798810 0.0190027 0.0031636 0.0144120 -1.3633455 0.0197528 -0.0098642 -0.0224457 -1.3140780 55 F -1.1798810 0.0190027 0.0031636 0.0144120 -1.3633455 0.0197528 -0.0098642 -0.0224457 -1.3140780 56 F -1.2470143 -0.0186615 -0.0152121 -0.0121266 -1.2972684 -0.0069856 -0.0110220 -0.0306693 -1.2825303 57 F -1.1798810 -0.0190027 0.0031636 -0.0144120 -1.3633455 -0.0197528 -0.0098642 0.0224457 -1.3140780 58 F -1.1798810 -0.0190027 0.0031636 -0.0144120 -1.3633455 -0.0197528 -0.0098642 0.0224457 -1.3140780 59 F -1.2470143 0.0186615 -0.0152121 0.0121266 -1.2972684 0.0069856 -0.0110220 0.0306693 -1.2825303 60 F -1.2470143 -0.0186615 -0.0152121 -0.0121266 -1.2972684 -0.0069856 -0.0110220 -0.0306693 -1.2825303 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0094] [ 0.0033 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] [-0.0033 0.0000 0.0094] [ 0.0033 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] [-0.0033 0.0000 0.0094] [ 0.0033 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] [-0.0033 0.0000 0.0094] [ 0.0033 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 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] [-0.0033 0.0000 0.0094] [ 0.0033 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] [-0.0033 0.0000 0.0094] [ 0.0033 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] [-0.0033 0.0000 0.0094] [ 0.0033 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 59, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 67, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 75, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 107, 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] [-0.0033 0.0000 0.0094] [ 0.0033 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:35:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:35:57]------------------------- 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 7.497103810006708 0.000000000000000 0.000000000000000 b 0.000000000000000 10.494623040000002 0.000000000000000 c -3.612726930564235 0.000000000000000 10.240730616722601 Atomic positions (fractional): 1 Ca 0.83576296492274 0.13253696913845 0.41319718077561 40.078 2 Ca 0.83576296492274 0.36746303086156 0.91319718077561 40.078 3 Ca 0.52909133217936 0.09727539836940 0.79779739446310 40.078 4 Ca 0.67036828799553 0.63493713311485 0.07591364282534 40.078 5 Ca 0.32963171200447 0.36506286688515 0.92408635717466 40.078 6 Ca 0.47090866782064 0.59727539836940 0.70220260553690 40.078 7 Ca 0.02921996327985 0.08517863983933 0.81552083343025 40.078 8 Ca 0.52909133217936 0.40272460163060 0.29779739446309 40.078 9 Ca 0.47090866782064 0.90272460163060 0.20220260553691 40.078 10 Ca 0.16423703507726 0.86746303086155 0.58680281922439 40.078 11 Ca 0.97078003672015 0.91482136016067 0.18447916656975 40.078 12 Ca 0.97078003672015 0.58517863983933 0.68447916656975 40.078 13 Ca 0.32963171200447 0.13493713311485 0.42408635717466 40.078 14 Ca 0.02921996327985 0.41482136016067 0.31552083343025 40.078 15 Ca 0.16423703507726 0.63253696913845 0.08680281922439 40.078 16 Ca 0.67036828799553 0.86506286688515 0.57591364282534 40.078 17 Si 0.77411267915400 0.80657159060972 0.86739727164146 28.085 18 Si 0.22588732084600 0.30657159060972 0.63260272835854 28.085 19 Si 0.34676082961139 0.80893031098549 0.87844011222258 28.085 20 Si 0.65323917038861 0.19106968901451 0.12155988777742 28.085 21 Si 0.65323917038861 0.30893031098549 0.62155988777742 28.085 22 Si 0.22588732084600 0.19342840939028 0.13260272835854 28.085 23 Si 0.77411267915400 0.69342840939028 0.36739727164146 28.085 24 Si 0.34676082961139 0.69106968901451 0.37844011222258 28.085 25 O 0.30256609353456 0.95723188463382 0.83659437519143 15.999 26 O 0.78088814661615 0.95536191282869 0.82951128392892 15.999 27 O 0.21911185338385 0.45536191282869 0.67048871607108 15.999 28 O 0.22889783251600 0.28099593752384 0.25742646357146 15.999 29 O 0.21902030281655 0.71967706676676 0.75929590949617 15.999 30 O 0.43594841688596 0.23117632849523 0.12003847374027 15.999 31 O 0.69743390646544 0.45723188463381 0.66340562480857 15.999 32 O 0.43594841688596 0.26882367150477 0.62003847374027 15.999 33 O 0.78097969718345 0.28032293323324 0.24070409050383 15.999 34 O 0.08643380379960 0.26460557551106 0.48918769377565 15.999 35 O 0.08643380379960 0.23539442448894 0.98918769377565 15.999 36 O 0.77110216748400 0.78099593752384 0.24257353642854 15.999 37 O 0.78097969718345 0.21967706676676 0.74070409050383 15.999 38 O 0.36055639145642 0.73175093122933 0.52603985816377 15.999 39 O 0.77110216748400 0.71900406247616 0.74257353642854 15.999 40 O 0.36055639145642 0.76824906877067 0.02603985816377 15.999 41 O 0.21902030281655 0.78032293323324 0.25929590949617 15.999 42 O 0.91356619620040 0.76460557551106 0.01081230622435 15.999 43 O 0.63944360854358 0.26824906877067 0.47396014183622 15.999 44 O 0.69743390646544 0.04276811536618 0.16340562480857 15.999 45 O 0.22889783251600 0.21900406247616 0.75742646357146 15.999 46 O 0.63944360854358 0.23175093122933 0.97396014183623 15.999 47 O 0.56405158311404 0.73117632849523 0.37996152625973 15.999 48 O 0.56405158311404 0.76882367150477 0.87996152625973 15.999 49 O 0.78088814661615 0.54463808717131 0.32951128392892 15.999 50 O 0.21911185338385 0.04463808717131 0.17048871607108 15.999 51 O 0.30256609353456 0.54276811536618 0.33659437519143 15.999 52 O 0.91356619620040 0.73539442448894 0.51081230622435 15.999 53 F 0.07497386911193 0.50040461860509 0.89686628624748 18.998 54 F 0.42745799354069 0.99433642504757 0.60007610749588 18.998 55 F 0.57254200645931 0.00566357495243 0.39992389250412 18.998 56 F 0.07497386911193 0.99959538139491 0.39686628624748 18.998 57 F 0.57254200645931 0.49433642504757 0.89992389250412 18.998 58 F 0.42745799354069 0.50566357495243 0.10007610749588 18.998 59 F 0.92502613088807 0.49959538139491 0.10313371375252 18.998 60 F 0.92502613088807 0.00040461860509 0.60313371375252 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.994207620013416 0.000000000000000 0.000000000000000 b 0.000000000000000 10.494623040000002 0.000000000000000 c -3.612726930564235 0.000000000000000 10.240730616722601 Atomic positions (fractional): 1 Ca 0.41788148246137 0.13253696913845 0.41319718077561 40.078 > 1 2 Ca 0.91788148246137 0.13253696913845 0.41319718077561 40.078 > 1 3 Ca 0.41788148246137 0.36746303086156 0.91319718077561 40.078 > 3 4 Ca 0.91788148246137 0.36746303086156 0.91319718077561 40.078 > 3 5 Ca 0.26454566608968 0.09727539836940 0.79779739446310 40.078 > 5 6 Ca 0.76454566608968 0.09727539836940 0.79779739446310 40.078 > 5 7 Ca 0.33518414399777 0.63493713311485 0.07591364282534 40.078 > 7 8 Ca 0.83518414399776 0.63493713311485 0.07591364282534 40.078 > 7 9 Ca 0.16481585600224 0.36506286688515 0.92408635717466 40.078 > 9 10 Ca 0.66481585600224 0.36506286688515 0.92408635717466 40.078 > 9 11 Ca 0.23545433391032 0.59727539836940 0.70220260553690 40.078 > 11 12 Ca 0.73545433391032 0.59727539836940 0.70220260553690 40.078 > 11 13 Ca 0.01460998163993 0.08517863983933 0.81552083343025 40.078 > 13 14 Ca 0.51460998163993 0.08517863983933 0.81552083343025 40.078 > 13 15 Ca 0.26454566608968 0.40272460163060 0.29779739446309 40.078 > 15 16 Ca 0.76454566608968 0.40272460163060 0.29779739446309 40.078 > 15 17 Ca 0.23545433391032 0.90272460163060 0.20220260553691 40.078 > 17 18 Ca 0.73545433391032 0.90272460163060 0.20220260553691 40.078 > 17 19 Ca 0.08211851753863 0.86746303086155 0.58680281922439 40.078 > 19 20 Ca 0.58211851753863 0.86746303086155 0.58680281922439 40.078 > 19 21 Ca 0.48539001836007 0.91482136016067 0.18447916656975 40.078 > 21 22 Ca 0.98539001836007 0.91482136016067 0.18447916656975 40.078 > 21 23 Ca 0.48539001836007 0.58517863983933 0.68447916656975 40.078 > 23 24 Ca 0.98539001836007 0.58517863983933 0.68447916656975 40.078 > 23 25 Ca 0.16481585600224 0.13493713311485 0.42408635717466 40.078 > 25 26 Ca 0.66481585600224 0.13493713311485 0.42408635717466 40.078 > 25 27 Ca 0.01460998163993 0.41482136016067 0.31552083343025 40.078 > 27 28 Ca 0.51460998163993 0.41482136016067 0.31552083343025 40.078 > 27 29 Ca 0.08211851753863 0.63253696913845 0.08680281922439 40.078 > 29 30 Ca 0.58211851753863 0.63253696913845 0.08680281922439 40.078 > 29 31 Ca 0.33518414399777 0.86506286688515 0.57591364282534 40.078 > 31 32 Ca 0.83518414399776 0.86506286688515 0.57591364282534 40.078 > 31 33 Si 0.38705633957700 0.80657159060972 0.86739727164146 28.085 > 33 34 Si 0.88705633957700 0.80657159060972 0.86739727164146 28.085 > 33 35 Si 0.11294366042300 0.30657159060972 0.63260272835854 28.085 > 35 36 Si 0.61294366042300 0.30657159060972 0.63260272835854 28.085 > 35 37 Si 0.17338041480569 0.80893031098549 0.87844011222258 28.085 > 37 38 Si 0.67338041480569 0.80893031098549 0.87844011222258 28.085 > 37 39 Si 0.32661958519431 0.19106968901451 0.12155988777742 28.085 > 39 40 Si 0.82661958519431 0.19106968901451 0.12155988777742 28.085 > 39 41 Si 0.32661958519431 0.30893031098549 0.62155988777742 28.085 > 41 42 Si 0.82661958519431 0.30893031098549 0.62155988777742 28.085 > 41 43 Si 0.11294366042300 0.19342840939028 0.13260272835854 28.085 > 43 44 Si 0.61294366042300 0.19342840939028 0.13260272835854 28.085 > 43 45 Si 0.38705633957700 0.69342840939028 0.36739727164146 28.085 > 45 46 Si 0.88705633957700 0.69342840939028 0.36739727164146 28.085 > 45 47 Si 0.17338041480569 0.69106968901451 0.37844011222258 28.085 > 47 48 Si 0.67338041480569 0.69106968901451 0.37844011222258 28.085 > 47 49 O 0.15128304676728 0.95723188463382 0.83659437519143 15.999 > 49 50 O 0.65128304676728 0.95723188463382 0.83659437519143 15.999 > 49 51 O 0.39044407330807 0.95536191282869 0.82951128392892 15.999 > 51 52 O 0.89044407330807 0.95536191282869 0.82951128392892 15.999 > 51 53 O 0.10955592669193 0.45536191282869 0.67048871607108 15.999 > 53 54 O 0.60955592669193 0.45536191282869 0.67048871607108 15.999 > 53 55 O 0.11444891625800 0.28099593752384 0.25742646357146 15.999 > 55 56 O 0.61444891625800 0.28099593752384 0.25742646357146 15.999 > 55 57 O 0.10951015140827 0.71967706676676 0.75929590949617 15.999 > 57 58 O 0.60951015140827 0.71967706676676 0.75929590949617 15.999 > 57 59 O 0.21797420844298 0.23117632849523 0.12003847374027 15.999 > 59 60 O 0.71797420844298 0.23117632849523 0.12003847374027 15.999 > 59 61 O 0.34871695323272 0.45723188463381 0.66340562480857 15.999 > 61 62 O 0.84871695323272 0.45723188463381 0.66340562480857 15.999 > 61 63 O 0.21797420844298 0.26882367150477 0.62003847374027 15.999 > 63 64 O 0.71797420844298 0.26882367150477 0.62003847374027 15.999 > 63 65 O 0.39048984859173 0.28032293323324 0.24070409050383 15.999 > 65 66 O 0.89048984859173 0.28032293323324 0.24070409050383 15.999 > 65 67 O 0.04321690189980 0.26460557551106 0.48918769377565 15.999 > 67 68 O 0.54321690189980 0.26460557551106 0.48918769377565 15.999 > 67 69 O 0.04321690189980 0.23539442448894 0.98918769377565 15.999 > 69 70 O 0.54321690189980 0.23539442448894 0.98918769377565 15.999 > 69 71 O 0.38555108374200 0.78099593752384 0.24257353642854 15.999 > 71 72 O 0.88555108374200 0.78099593752384 0.24257353642854 15.999 > 71 73 O 0.39048984859173 0.21967706676676 0.74070409050383 15.999 > 73 74 O 0.89048984859173 0.21967706676676 0.74070409050383 15.999 > 73 75 O 0.18027819572821 0.73175093122933 0.52603985816377 15.999 > 75 76 O 0.68027819572821 0.73175093122933 0.52603985816377 15.999 > 75 77 O 0.38555108374200 0.71900406247616 0.74257353642854 15.999 > 77 78 O 0.88555108374200 0.71900406247616 0.74257353642854 15.999 > 77 79 O 0.18027819572821 0.76824906877067 0.02603985816377 15.999 > 79 80 O 0.68027819572821 0.76824906877067 0.02603985816377 15.999 > 79 81 O 0.10951015140827 0.78032293323324 0.25929590949617 15.999 > 81 82 O 0.60951015140827 0.78032293323324 0.25929590949617 15.999 > 81 83 O 0.45678309810020 0.76460557551106 0.01081230622435 15.999 > 83 84 O 0.95678309810020 0.76460557551106 0.01081230622435 15.999 > 83 85 O 0.31972180427179 0.26824906877067 0.47396014183622 15.999 > 85 86 O 0.81972180427179 0.26824906877067 0.47396014183622 15.999 > 85 87 O 0.34871695323272 0.04276811536618 0.16340562480857 15.999 > 87 88 O 0.84871695323272 0.04276811536618 0.16340562480857 15.999 > 87 89 O 0.11444891625800 0.21900406247616 0.75742646357146 15.999 > 89 90 O 0.61444891625800 0.21900406247616 0.75742646357146 15.999 > 89 91 O 0.31972180427179 0.23175093122933 0.97396014183623 15.999 > 91 92 O 0.81972180427179 0.23175093122933 0.97396014183623 15.999 > 91 93 O 0.28202579155702 0.73117632849523 0.37996152625973 15.999 > 93 94 O 0.78202579155702 0.73117632849523 0.37996152625973 15.999 > 93 95 O 0.28202579155702 0.76882367150477 0.87996152625973 15.999 > 95 96 O 0.78202579155702 0.76882367150477 0.87996152625973 15.999 > 95 97 O 0.39044407330807 0.54463808717131 0.32951128392892 15.999 > 97 98 O 0.89044407330807 0.54463808717131 0.32951128392892 15.999 > 97 99 O 0.10955592669193 0.04463808717131 0.17048871607108 15.999 > 99 100 O 0.60955592669193 0.04463808717131 0.17048871607108 15.999 > 99 101 O 0.15128304676728 0.54276811536618 0.33659437519143 15.999 > 101 102 O 0.65128304676728 0.54276811536618 0.33659437519143 15.999 > 101 103 O 0.45678309810020 0.73539442448894 0.51081230622435 15.999 > 103 104 O 0.95678309810020 0.73539442448894 0.51081230622435 15.999 > 103 105 F 0.03748693455596 0.50040461860509 0.89686628624748 18.998 > 105 106 F 0.53748693455596 0.50040461860509 0.89686628624748 18.998 > 105 107 F 0.21372899677034 0.99433642504757 0.60007610749588 18.998 > 107 108 F 0.71372899677034 0.99433642504757 0.60007610749588 18.998 > 107 109 F 0.28627100322966 0.00566357495243 0.39992389250412 18.998 > 109 110 F 0.78627100322966 0.00566357495243 0.39992389250412 18.998 > 109 111 F 0.03748693455596 0.99959538139491 0.39686628624748 18.998 > 111 112 F 0.53748693455596 0.99959538139491 0.39686628624748 18.998 > 111 113 F 0.28627100322966 0.49433642504757 0.89992389250412 18.998 > 113 114 F 0.78627100322966 0.49433642504757 0.89992389250412 18.998 > 113 115 F 0.21372899677034 0.50566357495243 0.10007610749588 18.998 > 115 116 F 0.71372899677034 0.50566357495243 0.10007610749588 18.998 > 115 117 F 0.46251306544404 0.49959538139491 0.10313371375252 18.998 > 117 118 F 0.96251306544404 0.49959538139491 0.10313371375252 18.998 > 117 119 F 0.46251306544404 0.00040461860509 0.60313371375252 18.998 > 119 120 F 0.96251306544404 0.00040461860509 0.60313371375252 18.998 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8185718 0.0000000 0.0089024 0.0000000 2.8353821 0.0000000 0.0089034 0.0000000 2.8483537 -------------------------- Born effective charges -------------------------- 1 Ca 2.4770391 0.0120660 0.0537783 0.0232871 2.3609513 -0.0570732 0.0424723 0.0333705 2.3530488 2 Ca 2.4770391 -0.0120660 0.0537783 -0.0232871 2.3609513 0.0570732 0.0424723 -0.0333705 2.3530488 3 Ca 2.3213427 -0.0180807 -0.0236155 -0.0081972 2.5390857 0.0023697 0.0032889 0.0539344 2.2169222 4 Ca 2.2555777 0.0013132 -0.0247801 0.0200507 2.3640303 0.0030743 -0.0012167 -0.0190304 2.5464337 5 Ca 2.2555777 0.0013132 -0.0247801 0.0200507 2.3640303 0.0030743 -0.0012167 -0.0190304 2.5464337 6 Ca 2.3213427 0.0180807 -0.0236155 0.0081972 2.5390857 -0.0023697 0.0032889 -0.0539344 2.2169222 7 Ca 2.6922736 0.0070324 0.0661514 -0.0069241 2.5018772 0.0869216 0.0396076 0.0815165 2.1447340 8 Ca 2.3213427 0.0180807 -0.0236155 0.0081972 2.5390857 -0.0023697 0.0032889 -0.0539344 2.2169222 9 Ca 2.3213427 -0.0180807 -0.0236155 -0.0081972 2.5390857 0.0023697 0.0032889 0.0539344 2.2169222 10 Ca 2.4770391 0.0120660 0.0537783 0.0232871 2.3609513 -0.0570732 0.0424723 0.0333705 2.3530488 11 Ca 2.6922736 0.0070324 0.0661514 -0.0069241 2.5018772 0.0869216 0.0396076 0.0815165 2.1447340 12 Ca 2.6922736 -0.0070324 0.0661514 0.0069241 2.5018772 -0.0869216 0.0396076 -0.0815165 2.1447340 13 Ca 2.2555777 -0.0013132 -0.0247801 -0.0200507 2.3640303 -0.0030743 -0.0012167 0.0190304 2.5464337 14 Ca 2.6922736 -0.0070324 0.0661514 0.0069241 2.5018772 -0.0869216 0.0396076 -0.0815165 2.1447340 15 Ca 2.4770391 -0.0120660 0.0537783 -0.0232871 2.3609513 0.0570732 0.0424723 -0.0333705 2.3530488 16 Ca 2.2555777 -0.0013132 -0.0247801 -0.0200507 2.3640303 -0.0030743 -0.0012167 0.0190304 2.5464337 17 Si 2.7756205 0.1499118 -0.0390125 0.0825505 2.7734598 -0.0915747 -0.0300449 -0.0777840 3.0804323 18 Si 2.7756205 -0.1499118 -0.0390125 -0.0825505 2.7734598 0.0915747 -0.0300449 0.0777840 3.0804323 19 Si 2.7560469 -0.1497530 0.0493750 -0.0829342 2.7905535 -0.0512436 0.0168451 -0.0873663 3.1065022 20 Si 2.7560469 -0.1497530 0.0493750 -0.0829342 2.7905535 -0.0512436 0.0168451 -0.0873663 3.1065022 21 Si 2.7560469 0.1497530 0.0493750 0.0829342 2.7905535 0.0512436 0.0168451 0.0873663 3.1065022 22 Si 2.7756205 0.1499118 -0.0390125 0.0825505 2.7734598 -0.0915747 -0.0300449 -0.0777840 3.0804323 23 Si 2.7756205 -0.1499118 -0.0390125 -0.0825505 2.7734598 0.0915747 -0.0300449 0.0777840 3.0804323 24 Si 2.7560469 0.1497530 0.0493750 0.0829342 2.7905535 0.0512436 0.0168451 0.0873663 3.1065022 25 O -1.5933195 0.1207094 -0.0467800 0.0615041 -2.2802389 0.1765357 -0.0270098 0.1732823 -1.4609488 26 O -1.6231286 -0.1242911 0.0244281 -0.0681413 -2.3144999 0.1762238 0.0147743 0.1686180 -1.4429231 27 O -1.6231286 0.1242911 0.0244281 0.0681413 -2.3144999 -0.1762238 0.0147743 -0.1686180 -1.4429231 28 O -1.6845429 0.2254054 0.2682463 0.1616283 -1.8474942 -0.2782531 0.1753644 -0.2422240 -2.0098127 29 O -1.7206258 -0.2735720 -0.3073094 -0.2113727 -1.8608814 -0.3415098 -0.2079692 -0.2971491 -1.9376993 30 O -2.9006828 0.0169194 0.0466440 0.0208205 -1.3236667 0.0273616 0.0501340 0.0818262 -1.4566698 31 O -1.5933195 -0.1207094 -0.0467800 -0.0615041 -2.2802389 -0.1765357 -0.0270098 -0.1732823 -1.4609488 32 O -2.9006828 -0.0169194 0.0466440 -0.0208205 -1.3236667 -0.0273616 0.0501340 -0.0818262 -1.4566698 33 O -1.7206258 -0.2735720 -0.3073094 -0.2113727 -1.8608814 -0.3415098 -0.2079692 -0.2971491 -1.9376993 34 O -1.7050348 -0.1774363 -0.3688712 -0.1370662 -1.5233957 -0.1944190 -0.2738949 -0.2274394 -2.2045493 35 O -1.7050348 0.1774363 -0.3688712 0.1370662 -1.5233957 0.1944190 -0.2738949 0.2274394 -2.2045493 36 O -1.6845429 -0.2254054 0.2682463 -0.1616283 -1.8474942 0.2782531 0.1753644 0.2422240 -2.0098127 37 O -1.7206258 0.2735720 -0.3073094 0.2113727 -1.8608814 0.3415098 -0.2079692 0.2971491 -1.9376993 38 O -1.6236708 0.1647663 0.3137942 0.1275949 -1.5191672 -0.1045640 0.2185354 -0.1523123 -2.3388619 39 O -1.6845429 0.2254054 0.2682463 0.1616283 -1.8474942 -0.2782531 0.1753644 -0.2422240 -2.0098127 40 O -1.6236708 -0.1647663 0.3137942 -0.1275949 -1.5191672 0.1045640 0.2185354 0.1523123 -2.3388619 41 O -1.7206258 0.2735720 -0.3073094 0.2113727 -1.8608814 0.3415098 -0.2079692 0.2971491 -1.9376993 42 O -1.7050348 0.1774363 -0.3688712 0.1370662 -1.5233957 0.1944190 -0.2738949 0.2274394 -2.2045493 43 O -1.6236708 0.1647663 0.3137942 0.1275949 -1.5191672 -0.1045640 0.2185354 -0.1523123 -2.3388619 44 O -1.5933195 0.1207094 -0.0467800 0.0615041 -2.2802389 0.1765357 -0.0270098 0.1732823 -1.4609488 45 O -1.6845429 -0.2254054 0.2682463 -0.1616283 -1.8474942 0.2782531 0.1753644 0.2422240 -2.0098127 46 O -1.6236708 -0.1647663 0.3137942 -0.1275949 -1.5191672 0.1045640 0.2185354 0.1523123 -2.3388619 47 O -2.9006828 -0.0169194 0.0466440 -0.0208205 -1.3236667 -0.0273616 0.0501340 -0.0818262 -1.4566698 48 O -2.9006828 0.0169194 0.0466440 0.0208205 -1.3236667 0.0273616 0.0501340 0.0818262 -1.4566698 49 O -1.6231286 0.1242911 0.0244281 0.0681413 -2.3144999 -0.1762238 0.0147743 -0.1686180 -1.4429231 50 O -1.6231286 -0.1242911 0.0244281 -0.0681413 -2.3144999 0.1762238 0.0147743 0.1686180 -1.4429231 51 O -1.5933195 -0.1207094 -0.0467800 -0.0615041 -2.2802389 -0.1765357 -0.0270098 -0.1732823 -1.4609488 52 O -1.7050348 -0.1774363 -0.3688712 -0.1370662 -1.5233957 -0.1944190 -0.2738949 -0.2274394 -2.2045493 53 F -1.2470143 0.0186615 -0.0152121 0.0121266 -1.2972684 0.0069856 -0.0110220 0.0306693 -1.2825303 54 F -1.1798810 0.0190027 0.0031636 0.0144120 -1.3633455 0.0197528 -0.0098642 -0.0224457 -1.3140780 55 F -1.1798810 0.0190027 0.0031636 0.0144120 -1.3633455 0.0197528 -0.0098642 -0.0224457 -1.3140780 56 F -1.2470143 -0.0186615 -0.0152121 -0.0121266 -1.2972684 -0.0069856 -0.0110220 -0.0306693 -1.2825303 57 F -1.1798810 -0.0190027 0.0031636 -0.0144120 -1.3633455 -0.0197528 -0.0098642 0.0224457 -1.3140780 58 F -1.1798810 -0.0190027 0.0031636 -0.0144120 -1.3633455 -0.0197528 -0.0098642 0.0224457 -1.3140780 59 F -1.2470143 0.0186615 -0.0152121 0.0121266 -1.2972684 0.0069856 -0.0110220 0.0306693 -1.2825303 60 F -1.2470143 -0.0186615 -0.0152121 -0.0121266 -1.2972684 -0.0069856 -0.0110220 -0.0306693 -1.2825303 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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: 0.45, Number of G-points: 307, Lambda: 0.08 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: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 2.195 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 4.805 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 5.003 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.270 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.504 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.600 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.767 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 6.866 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 6.987 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.138 ( 0.000 0.000 0.000) 0.000 7.205 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.392 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 0.000 0.000) 0.000 7.606 ( 0.000 0.000 0.000) 0.000 7.621 ( 0.000 0.000 0.000) 0.000 7.760 ( 0.000 0.000 0.000) 0.000 7.767 ( 0.000 0.000 0.000) 0.000 7.784 ( 0.000 0.000 0.000) 0.000 7.842 ( 0.000 0.000 0.000) 0.000 7.942 ( 0.000 0.000 0.000) 0.000 7.986 ( 0.000 0.000 0.000) 0.000 8.007 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.374 ( 0.000 0.000 0.000) 0.000 8.428 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.554 ( 0.000 0.000 0.000) 0.000 8.674 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 8.792 ( 0.000 0.000 0.000) 0.000 8.830 ( 0.000 0.000 0.000) 0.000 8.936 ( 0.000 0.000 0.000) 0.000 8.965 ( 0.000 0.000 0.000) 0.000 9.047 ( 0.000 0.000 0.000) 0.000 9.198 ( 0.000 0.000 0.000) 0.000 9.241 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.601 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 9.703 ( 0.000 0.000 0.000) 0.000 9.790 ( 0.000 0.000 0.000) 0.000 9.814 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 9.938 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.090 ( 0.000 0.000 0.000) 0.000 10.152 ( 0.000 0.000 0.000) 0.000 10.217 ( 0.000 0.000 0.000) 0.000 10.417 ( 0.000 0.000 0.000) 0.000 10.443 ( 0.000 0.000 0.000) 0.000 10.477 ( 0.000 0.000 0.000) 0.000 10.756 ( 0.000 0.000 0.000) 0.000 10.781 ( 0.000 0.000 0.000) 0.000 10.839 ( 0.000 0.000 0.000) 0.000 10.930 ( 0.000 0.000 0.000) 0.000 11.229 ( 0.000 0.000 0.000) 0.000 11.313 ( 0.000 0.000 0.000) 0.000 11.711 ( 0.000 0.000 0.000) 0.000 11.809 ( 0.000 0.000 0.000) 0.000 12.218 ( 0.000 0.000 0.000) 0.000 12.614 ( 0.000 0.000 0.000) 0.000 12.625 ( 0.000 0.000 0.000) 0.000 12.750 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 13.304 ( 0.000 0.000 0.000) 0.000 13.318 ( 0.000 0.000 0.000) 0.000 13.334 ( 0.000 0.000 0.000) 0.000 13.356 ( 0.000 0.000 0.000) 0.000 13.877 ( 0.000 0.000 0.000) 0.000 13.892 ( 0.000 0.000 0.000) 0.000 14.103 ( 0.000 0.000 0.000) 0.000 14.114 ( 0.000 0.000 0.000) 0.000 14.515 ( 0.000 0.000 0.000) 0.000 14.529 ( 0.000 0.000 0.000) 0.000 14.639 ( 0.000 0.000 0.000) 0.000 14.644 ( 0.000 0.000 0.000) 0.000 15.150 ( 0.000 0.000 0.000) 0.000 15.294 ( 0.000 0.000 0.000) 0.000 15.401 ( 0.000 0.000 0.000) 0.000 15.743 ( 0.000 0.000 0.000) 0.000 15.843 ( 0.000 0.000 0.000) 0.000 15.858 ( 0.000 0.000 0.000) 0.000 15.900 ( 0.000 0.000 0.000) 0.000 16.209 ( 0.000 0.000 0.000) 0.000 18.777 ( 0.000 0.000 0.000) 0.000 18.885 ( 0.000 0.000 0.000) 0.000 18.904 ( 0.000 0.000 0.000) 0.000 18.921 ( 0.000 0.000 0.000) 0.000 24.642 ( 0.000 0.000 0.000) 0.000 24.678 ( 0.000 0.000 0.000) 0.000 24.829 ( 0.000 0.000 0.000) 0.000 24.865 ( 0.000 0.000 0.000) 0.000 26.467 ( 0.000 0.000 0.000) 0.000 26.566 ( 0.000 0.000 0.000) 0.000 26.634 ( 0.000 0.000 0.000) 0.000 26.733 ( 0.000 0.000 0.000) 0.000 27.803 ( 0.000 0.000 0.000) 0.000 27.839 ( 0.000 0.000 0.000) 0.000 27.902 ( 0.000 0.000 0.000) 0.000 27.918 ( 0.000 0.000 0.000) 0.000 28.288 ( 0.000 0.000 0.000) 0.000 28.351 ( 0.000 0.000 0.000) 0.000 28.515 ( 0.000 0.000 0.000) 0.000 28.873 ( 0.000 0.000 0.000) 0.000 28.881 ( 0.000 0.000 0.000) 0.000 28.939 ( 0.000 0.000 0.000) 0.000 29.039 ( 0.000 0.000 0.000) 0.000 29.317 ( 0.000 0.000 0.000) 0.000 29.736 ( 0.000 0.000 0.000) 0.000 29.973 ( 0.000 0.000 0.000) 0.000 30.007 ( 0.000 0.000 0.000) 0.000 30.065 ( 0.000 0.000 0.000) 0.000 30.086 ( 0.000 0.000 0.000) 0.000 30.359 ( 0.000 0.000 0.000) 0.000 30.479 ( 0.000 0.000 0.000) 0.000 31.209 ( 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: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 39.050 0.000 2.359) 39.121 0.864 ( 39.472 0.000 14.878) 42.183 1.480 ( 63.696 0.000 27.820) 69.506 2.255 ( 3.098 0.000 8.012) 8.590 2.333 ( -7.997 0.000 -9.221) 12.205 2.679 ( -9.742 0.000 -4.743) 10.835 2.802 ( -2.870 0.000 -0.714) 2.957 2.971 ( 1.456 0.000 4.682) 4.904 2.993 ( -0.142 0.000 2.796) 2.799 3.164 ( -2.608 0.000 1.261) 2.897 3.213 ( -2.139 0.000 0.431) 2.182 3.232 ( -3.081 0.000 -5.151) 6.002 3.397 ( -8.897 0.000 16.804) 19.014 3.424 ( 4.110 0.000 -8.091) 9.075 3.549 ( -3.267 0.000 2.033) 3.848 3.663 ( 6.032 0.000 -1.896) 6.323 3.792 ( 6.319 0.000 -8.223) 10.371 3.806 ( 6.793 0.000 -4.541) 8.171 3.853 ( 1.360 0.000 -7.992) 8.107 3.929 ( -0.591 0.000 -7.727) 7.749 3.944 ( -3.157 0.000 -2.024) 3.750 4.193 ( -5.796 0.000 -8.547) 10.327 4.235 ( -3.442 0.000 -4.755) 5.870 4.301 ( -6.070 0.000 -3.806) 7.164 4.330 ( -2.298 0.000 18.030) 18.176 4.354 ( -6.247 0.000 -3.279) 7.055 4.362 ( -8.367 0.000 -4.980) 9.737 4.557 ( -6.811 0.000 -1.609) 6.999 4.573 ( -5.618 0.000 2.143) 6.013 4.618 ( 1.911 0.000 2.432) 3.093 4.641 ( 2.314 0.000 -14.983) 15.161 4.741 ( -12.596 0.000 5.006) 13.555 4.746 ( 8.995 0.000 -7.937) 11.996 4.814 ( -5.145 0.000 2.976) 5.943 4.859 ( 3.027 0.000 4.424) 5.361 4.954 ( 2.615 0.000 -6.244) 6.770 5.013 ( 3.267 0.000 12.200) 12.630 5.028 ( 0.330 0.000 11.822) 11.827 5.094 ( 8.555 0.000 1.123) 8.629 5.161 ( 3.326 0.000 4.539) 5.627 5.281 ( 8.861 0.000 -0.461) 8.873 5.403 ( 4.155 0.000 2.423) 4.810 5.581 ( -5.283 0.000 -5.509) 7.632 5.643 ( 11.674 0.000 6.877) 13.549 5.755 ( 2.040 0.000 3.644) 4.176 5.810 ( 0.064 0.000 -6.455) 6.455 5.831 ( -6.451 0.000 -0.600) 6.479 5.943 ( -6.604 0.000 -3.730) 7.585 6.099 ( -3.143 0.000 3.568) 4.755 6.182 ( -0.452 0.000 -7.294) 7.308 6.300 ( -6.275 0.000 1.463) 6.443 6.324 ( -4.082 0.000 -3.685) 5.500 6.354 ( 2.594 0.000 5.629) 6.198 6.431 ( -8.891 0.000 -1.685) 9.049 6.540 ( -6.743 0.000 5.142) 8.480 6.555 ( 4.219 0.000 -5.000) 6.543 6.626 ( 3.413 0.000 3.737) 5.061 6.678 ( 4.041 0.000 -1.110) 4.190 6.778 ( -2.867 0.000 0.617) 2.933 6.805 ( 4.221 0.000 -3.359) 5.394 6.843 ( -1.950 0.000 3.517) 4.022 6.871 ( 3.058 0.000 -1.200) 3.284 6.918 ( 0.449 0.000 3.657) 3.685 7.094 ( -3.421 0.000 -1.854) 3.891 7.134 ( 1.477 0.000 2.184) 2.636 7.167 ( 6.340 0.000 2.838) 6.946 7.212 ( 4.141 0.000 6.914) 8.059 7.226 ( 0.491 0.000 2.383) 2.434 7.380 ( 3.688 0.000 -0.666) 3.748 7.386 ( -7.138 0.000 -4.117) 8.240 7.469 ( 4.276 0.000 1.434) 4.510 7.507 ( 0.625 0.000 -1.766) 1.874 7.604 ( -1.893 0.000 3.655) 4.116 7.629 ( 10.724 0.000 -7.382) 13.019 7.757 ( -0.352 0.000 -5.744) 5.755 7.761 ( 2.989 0.000 -4.545) 5.440 7.812 ( 4.101 0.000 3.628) 5.476 7.830 ( 0.162 0.000 1.037) 1.049 7.940 ( -1.217 0.000 -0.835) 1.476 7.945 ( -0.983 0.000 -0.316) 1.033 8.002 ( 4.023 0.000 -13.873) 14.445 8.025 ( 0.695 0.000 -2.530) 2.623 8.120 ( -6.280 0.000 5.410) 8.289 8.219 ( -2.838 0.000 1.383) 3.157 8.242 ( -2.120 0.000 5.373) 5.776 8.306 ( -1.497 0.000 -5.325) 5.532 8.342 ( -5.281 0.000 -1.046) 5.384 8.369 ( 0.428 0.000 -0.532) 0.683 8.519 ( 1.753 0.000 -6.727) 6.952 8.548 ( 6.006 0.000 0.337) 6.015 8.621 ( 3.490 0.000 2.631) 4.371 8.656 ( 3.247 0.000 -8.285) 8.898 8.708 ( -0.434 0.000 2.024) 2.070 8.831 ( -7.743 0.000 -4.116) 8.769 8.858 ( -2.155 0.000 5.593) 5.994 8.934 ( -4.923 0.000 3.804) 6.221 9.046 ( -0.235 0.000 -3.824) 3.832 9.191 ( -6.111 0.000 4.633) 7.669 9.206 ( 0.453 0.000 0.827) 0.943 9.505 ( -3.953 0.000 2.940) 4.926 9.522 ( -6.240 0.000 3.219) 7.022 9.536 ( -10.897 0.000 29.550) 31.496 9.603 ( -5.133 0.000 -1.054) 5.240 9.681 ( -0.817 0.000 -1.268) 1.509 9.767 ( -2.265 0.000 -1.836) 2.916 9.886 ( -7.747 0.000 5.005) 9.223 9.973 ( -1.709 0.000 0.244) 1.726 10.033 ( 6.295 0.000 -1.518) 6.476 10.039 ( -4.152 0.000 2.418) 4.805 10.089 ( -4.066 0.000 0.907) 4.166 10.241 ( 3.098 0.000 0.879) 3.220 10.247 ( 0.627 0.000 5.000) 5.039 10.364 ( -6.242 0.000 0.664) 6.277 10.415 ( -0.370 0.000 -3.634) 3.653 10.519 ( 4.934 0.000 -3.690) 6.161 10.639 ( -5.716 0.000 -6.347) 8.541 10.722 ( -5.857 0.000 5.533) 8.057 10.860 ( 1.566 0.000 1.978) 2.522 10.934 ( 4.024 0.000 -10.491) 11.236 11.229 ( -6.061 0.000 1.591) 6.266 11.665 ( 18.260 0.000 5.816) 19.164 11.670 ( -4.298 0.000 0.420) 4.318 11.745 ( -0.345 0.000 3.304) 3.322 12.095 ( -10.665 0.000 -0.999) 10.712 12.562 ( -5.656 0.000 2.068) 6.022 12.571 ( -5.054 0.000 0.254) 5.061 12.693 ( -6.063 0.000 1.734) 6.306 12.845 ( -11.561 0.000 -2.126) 11.755 13.536 ( 20.456 0.000 -2.235) 20.577 13.603 ( 22.094 0.000 2.872) 22.280 13.622 ( 20.584 0.000 4.724) 21.119 13.907 ( 6.513 0.000 2.599) 7.013 13.912 ( 6.732 0.000 -0.977) 6.803 14.124 ( 2.420 0.000 -1.131) 2.671 14.219 ( 6.712 0.000 1.175) 6.814 14.565 ( 4.044 0.000 0.371) 4.061 14.585 ( 5.723 0.000 -2.605) 6.288 14.640 ( 1.693 0.000 -1.345) 2.162 14.643 ( 9.421 0.000 0.037) 9.421 15.119 ( 1.146 0.000 -4.513) 4.656 15.257 ( -2.959 0.000 -1.764) 3.444 15.365 ( -3.421 0.000 -0.542) 3.464 15.547 ( 12.308 0.000 -43.737) 45.435 15.809 ( -1.153 0.000 -0.869) 1.444 15.821 ( -3.543 0.000 -0.490) 3.577 15.972 ( 4.304 0.000 1.844) 4.682 16.057 ( -0.109 0.000 1.961) 1.964 16.194 ( -1.690 0.000 0.920) 1.924 18.698 ( -8.420 0.000 1.220) 8.508 18.816 ( -6.952 0.000 -2.218) 7.297 18.827 ( -8.534 0.000 0.237) 8.537 18.859 ( -4.167 0.000 -0.746) 4.234 24.669 ( -0.338 0.000 -1.554) 1.590 24.677 ( 2.883 0.000 1.572) 3.284 24.881 ( 2.347 0.000 -2.128) 3.168 25.511 ( 14.730 0.000 -40.877) 43.450 26.471 ( -0.764 0.000 -1.355) 1.556 26.572 ( 0.400 0.000 0.252) 0.472 26.626 ( -0.848 0.000 0.448) 0.959 26.729 ( -0.523 0.000 0.291) 0.599 27.810 ( 0.701 0.000 -0.184) 0.725 27.846 ( 0.055 0.000 -5.694) 5.694 27.913 ( -0.608 0.000 0.101) 0.617 27.938 ( 2.040 0.000 0.110) 2.043 28.349 ( 6.029 0.000 0.749) 6.075 28.390 ( 3.832 0.000 0.294) 3.844 28.859 ( -9.960 0.000 33.303) 34.760 28.868 ( -3.833 0.000 7.794) 8.685 28.898 ( 2.639 0.000 0.972) 2.812 29.028 ( 7.161 0.000 3.946) 8.177 29.200 ( -2.292 0.000 12.521) 12.729 29.328 ( 0.826 0.000 0.732) 1.104 29.630 ( -8.529 0.000 -2.917) 9.014 29.986 ( 0.099 0.000 -0.109) 0.147 30.034 ( 2.609 0.000 0.169) 2.615 30.124 ( 3.851 0.000 -1.243) 4.047 30.293 ( -8.232 0.000 5.084) 9.676 30.418 ( -5.574 0.000 -0.726) 5.621 30.870 ( -0.327 0.000 -0.509) 0.605 31.132 ( -8.075 0.000 0.864) 8.121 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 36.161 0.000 -1.632) 36.198 1.684 ( 34.435 0.000 15.656) 37.827 2.109 ( -4.654 0.000 -12.861) 13.677 2.202 ( -6.079 0.000 12.253) 13.678 2.436 ( -10.863 0.000 -4.021) 11.583 2.647 ( 11.409 0.000 -4.415) 12.234 2.875 ( -8.701 0.000 3.207) 9.273 2.901 ( -18.314 0.000 -0.924) 18.337 3.006 ( 38.623 0.000 21.810) 44.356 3.008 ( -13.372 0.000 5.093) 14.309 3.048 ( -12.530 0.000 0.710) 12.550 3.262 ( 6.452 0.000 1.069) 6.540 3.385 ( -3.273 0.000 -1.686) 3.682 3.393 ( -8.760 0.000 -1.893) 8.962 3.482 ( -5.354 0.000 -0.330) 5.365 3.534 ( 2.246 0.000 -1.913) 2.950 3.828 ( 6.680 0.000 0.515) 6.700 3.867 ( -5.262 0.000 -12.051) 13.149 3.872 ( -2.137 0.000 0.643) 2.232 3.877 ( -0.544 0.000 -12.953) 12.964 3.928 ( -9.505 0.000 -6.807) 11.691 4.021 ( 3.049 0.000 -3.334) 4.518 4.084 ( -9.704 0.000 -7.023) 11.978 4.150 ( 10.388 0.000 -2.337) 10.648 4.176 ( -5.216 0.000 -7.441) 9.087 4.246 ( 1.263 0.000 -7.310) 7.418 4.388 ( -5.787 0.000 12.989) 14.219 4.423 ( -4.153 0.000 6.159) 7.429 4.512 ( -1.896 0.000 -7.576) 7.809 4.526 ( -3.925 0.000 5.637) 6.868 4.594 ( -5.409 0.000 5.612) 7.794 4.787 ( 5.697 0.000 7.638) 9.529 4.829 ( 3.079 0.000 -0.604) 3.138 4.910 ( 5.612 0.000 3.581) 6.657 4.993 ( 6.722 0.000 9.886) 11.955 5.044 ( -5.251 0.000 0.337) 5.262 5.066 ( 15.411 0.000 -6.065) 16.561 5.228 ( 11.668 0.000 2.831) 12.007 5.236 ( 5.903 0.000 -1.399) 6.067 5.294 ( 2.808 0.000 -5.249) 5.953 5.356 ( 2.137 0.000 9.046) 9.295 5.534 ( 1.476 0.000 -3.232) 3.553 5.557 ( 11.540 0.000 0.772) 11.565 5.682 ( -6.540 0.000 -3.434) 7.387 5.688 ( -0.110 0.000 -8.418) 8.419 5.788 ( -5.760 0.000 0.738) 5.807 5.877 ( 5.687 0.000 2.543) 6.230 5.958 ( 5.399 0.000 0.061) 5.400 6.101 ( 1.088 0.000 7.824) 7.899 6.150 ( 4.942 0.000 -6.685) 8.313 6.181 ( -6.545 0.000 2.851) 7.139 6.254 ( -0.447 0.000 1.391) 1.461 6.269 ( -4.385 0.000 -4.914) 6.586 6.334 ( -10.202 0.000 -6.237) 11.957 6.393 ( -2.553 0.000 9.642) 9.975 6.612 ( 2.494 0.000 -5.239) 5.802 6.635 ( -0.858 0.000 2.788) 2.917 6.637 ( -12.030 0.000 -2.538) 12.295 6.784 ( 1.268 0.000 -0.605) 1.405 6.815 ( -2.779 0.000 0.986) 2.949 6.900 ( 8.233 0.000 8.003) 11.482 6.936 ( -1.995 0.000 -4.071) 4.534 6.997 ( -1.366 0.000 -5.293) 5.467 7.092 ( -1.823 0.000 0.976) 2.068 7.098 ( 5.025 0.000 9.206) 10.488 7.178 ( -5.345 0.000 1.230) 5.485 7.285 ( 7.168 0.000 6.227) 9.495 7.286 ( 0.256 0.000 0.407) 0.481 7.361 ( 3.929 0.000 0.044) 3.929 7.431 ( -0.254 0.000 1.195) 1.221 7.480 ( -0.079 0.000 -3.755) 3.756 7.501 ( -3.112 0.000 -0.697) 3.189 7.622 ( 1.875 0.000 2.009) 2.748 7.676 ( -1.248 0.000 -8.350) 8.443 7.748 ( -1.345 0.000 -1.688) 2.158 7.752 ( 2.163 0.000 0.488) 2.217 7.805 ( -0.886 0.000 -3.793) 3.895 7.887 ( 1.735 0.000 -2.990) 3.457 7.904 ( -1.173 0.000 -1.094) 1.604 7.955 ( -1.531 0.000 -1.170) 1.927 7.998 ( -0.628 0.000 -3.245) 3.305 8.001 ( 1.988 0.000 0.585) 2.073 8.101 ( 1.286 0.000 4.180) 4.373 8.172 ( -3.370 0.000 0.757) 3.454 8.230 ( -2.779 0.000 4.762) 5.514 8.251 ( 2.426 0.000 1.279) 2.742 8.338 ( 3.778 0.000 -1.161) 3.952 8.374 ( -0.299 0.000 0.108) 0.318 8.420 ( -7.188 0.000 -8.334) 11.005 8.607 ( -1.134 0.000 2.365) 2.623 8.632 ( -7.367 0.000 -5.843) 9.403 8.672 ( 1.062 0.000 -2.598) 2.807 8.752 ( 8.856 0.000 -3.344) 9.467 8.758 ( 1.371 0.000 4.636) 4.835 8.815 ( -6.781 0.000 0.762) 6.823 8.826 ( -2.445 0.000 5.077) 5.635 8.992 ( -3.408 0.000 -0.539) 3.450 9.114 ( -4.864 0.000 4.805) 6.837 9.203 ( -2.125 0.000 -1.405) 2.547 9.356 ( -15.304 0.000 -6.290) 16.546 9.402 ( -4.729 0.000 2.318) 5.267 9.475 ( -3.873 0.000 5.874) 7.036 9.535 ( -7.669 0.000 12.066) 14.297 9.682 ( -6.335 0.000 5.344) 8.288 9.683 ( 1.086 0.000 0.399) 1.157 9.724 ( -1.187 0.000 -0.905) 1.493 9.867 ( -9.034 0.000 -0.818) 9.071 10.017 ( 1.711 0.000 -1.377) 2.196 10.082 ( 0.096 0.000 -6.117) 6.118 10.168 ( 5.739 0.000 0.590) 5.770 10.217 ( -3.354 0.000 -4.728) 5.797 10.309 ( 2.240 0.000 0.517) 2.299 10.348 ( 4.240 0.000 3.981) 5.816 10.450 ( 6.424 0.000 0.637) 6.455 10.574 ( 4.105 0.000 -7.107) 8.208 10.620 ( 5.269 0.000 -3.898) 6.554 10.724 ( 1.937 0.000 7.596) 7.839 10.900 ( -0.423 0.000 3.637) 3.662 10.922 ( 1.523 0.000 -10.129) 10.243 11.208 ( 2.361 0.000 3.914) 4.571 11.520 ( -11.922 0.000 -0.825) 11.951 11.562 ( -6.824 0.000 0.299) 6.830 11.874 ( -10.175 0.000 -0.344) 10.181 12.173 ( 17.057 0.000 6.243) 18.164 12.444 ( -8.513 0.000 -0.573) 8.532 12.459 ( -6.075 0.000 3.825) 7.179 12.593 ( -4.552 0.000 1.109) 4.685 12.606 ( -10.182 0.000 -0.558) 10.197 13.870 ( 5.968 0.000 1.130) 6.074 13.890 ( 15.066 0.000 -2.130) 15.215 14.060 ( 17.931 0.000 3.995) 18.371 14.085 ( 9.009 0.000 0.738) 9.039 14.188 ( 5.979 0.000 -0.245) 5.984 14.260 ( 17.274 0.000 6.631) 18.503 14.371 ( 13.521 0.000 -0.247) 13.523 14.568 ( 0.378 0.000 -2.653) 2.680 14.683 ( 5.256 0.000 -1.392) 5.437 14.787 ( 10.813 0.000 -0.647) 10.832 14.874 ( 13.920 0.000 -2.010) 14.065 15.118 ( 1.460 0.000 -2.089) 2.549 15.177 ( -3.270 0.000 -2.091) 3.881 15.278 ( -5.537 0.000 1.505) 5.738 15.462 ( 0.701 0.000 -18.283) 18.297 15.732 ( -4.424 0.000 -1.614) 4.709 15.800 ( 0.203 0.000 0.390) 0.439 16.052 ( 2.735 0.000 0.369) 2.760 16.072 ( 0.788 0.000 0.306) 0.845 16.169 ( -1.328 0.000 1.590) 2.072 18.512 ( -10.895 0.000 1.552) 11.005 18.592 ( -12.567 0.000 -1.540) 12.661 18.661 ( -8.671 0.000 -1.618) 8.820 18.755 ( -5.393 0.000 -1.202) 5.525 24.647 ( -0.546 0.000 -1.988) 2.062 24.755 ( 3.450 0.000 1.933) 3.955 24.918 ( 2.959 0.000 -2.760) 4.047 25.518 ( 6.307 0.000 -16.932) 18.068 26.444 ( -1.088 0.000 -0.853) 1.383 26.581 ( 0.336 0.000 0.237) 0.411 26.612 ( -0.928 0.000 0.642) 1.128 26.719 ( -0.703 0.000 0.373) 0.796 27.816 ( -0.411 0.000 -2.358) 2.394 27.825 ( 0.893 0.000 -0.275) 0.934 27.900 ( -0.756 0.000 0.206) 0.784 27.970 ( 1.013 0.000 0.784) 1.281 28.486 ( 5.324 0.000 0.613) 5.359 28.521 ( 10.991 0.000 1.527) 11.097 28.829 ( -2.033 0.000 -1.327) 2.428 28.909 ( -4.719 0.000 20.790) 21.319 28.982 ( 4.627 0.000 2.178) 5.114 29.210 ( 4.135 0.000 4.016) 5.764 29.256 ( 3.367 0.000 -0.328) 3.382 29.360 ( 2.824 0.000 -0.712) 2.912 29.446 ( -4.233 0.000 -1.693) 4.558 29.948 ( -3.279 0.000 -2.718) 4.259 30.091 ( 0.161 0.000 1.758) 1.766 30.136 ( -8.909 0.000 4.516) 9.988 30.161 ( -2.183 0.000 -1.125) 2.456 30.310 ( -2.140 0.000 -1.383) 2.548 30.859 ( -0.156 0.000 -1.233) 1.243 30.944 ( -11.003 0.000 1.125) 11.060 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 15.698 0.000 -13.624) 20.786 2.002 ( 3.885 0.000 -2.773) 4.773 2.099 ( -8.605 0.000 14.148) 16.559 2.179 ( -3.131 0.000 1.182) 3.346 2.481 ( -8.873 0.000 3.970) 9.721 2.515 ( 11.879 0.000 -1.588) 11.984 2.555 ( -9.439 0.000 0.109) 9.440 2.570 ( 4.197 0.000 -7.469) 8.568 2.961 ( 0.592 0.000 14.532) 14.544 2.983 ( -10.556 0.000 0.359) 10.562 3.142 ( -10.046 0.000 0.444) 10.056 3.166 ( -5.676 0.000 -6.368) 8.530 3.425 ( -6.071 0.000 -0.035) 6.071 3.466 ( -0.536 0.000 0.985) 1.122 3.503 ( 3.227 0.000 -8.908) 9.474 3.616 ( 8.564 0.000 -1.321) 8.665 3.685 ( -6.659 0.000 -3.449) 7.499 3.713 ( -6.915 0.000 -4.483) 8.241 3.783 ( -0.994 0.000 3.876) 4.001 3.839 ( -1.755 0.000 2.268) 2.868 3.983 ( -1.420 0.000 -1.361) 1.967 3.994 ( 2.001 0.000 -7.403) 7.669 4.140 ( 10.053 0.000 6.167) 11.794 4.188 ( 9.284 0.000 -3.622) 9.965 4.190 ( 0.685 0.000 -0.929) 1.154 4.377 ( 4.800 0.000 12.470) 13.362 4.399 ( 11.045 0.000 -9.496) 14.566 4.444 ( 5.827 0.000 0.659) 5.864 4.485 ( -4.434 0.000 7.939) 9.093 4.551 ( 1.687 0.000 5.780) 6.021 4.676 ( 9.484 0.000 -1.449) 9.594 4.806 ( -4.465 0.000 6.048) 7.518 4.815 ( -11.237 0.000 -0.162) 11.238 4.933 ( 2.445 0.000 4.694) 5.293 5.036 ( 2.972 0.000 2.438) 3.844 5.158 ( -6.195 0.000 -11.148) 12.754 5.178 ( 4.525 0.000 4.319) 6.255 5.209 ( -5.754 0.000 -5.132) 7.710 5.327 ( 11.441 0.000 2.647) 11.743 5.425 ( -5.415 0.000 1.069) 5.520 5.469 ( 10.891 0.000 -8.027) 13.529 5.623 ( 7.140 0.000 8.148) 10.833 5.639 ( -0.996 0.000 0.027) 0.997 5.639 ( 2.643 0.000 2.382) 3.558 5.695 ( 0.274 0.000 -2.425) 2.440 5.697 ( -3.111 0.000 0.970) 3.259 5.918 ( -1.770 0.000 0.515) 1.844 5.986 ( -12.875 0.000 -11.851) 17.499 6.025 ( 9.060 0.000 -2.669) 9.445 6.137 ( -1.675 0.000 -1.045) 1.974 6.175 ( -0.617 0.000 -4.913) 4.951 6.246 ( 2.044 0.000 1.519) 2.547 6.266 ( 4.742 0.000 -1.143) 4.878 6.300 ( 0.740 0.000 4.086) 4.152 6.344 ( -11.438 0.000 -1.741) 11.569 6.439 ( -2.275 0.000 4.249) 4.820 6.568 ( 2.959 0.000 3.567) 4.635 6.725 ( 4.875 0.000 0.206) 4.880 6.750 ( -2.611 0.000 -1.651) 3.089 6.793 ( -0.695 0.000 2.291) 2.394 6.886 ( 0.822 0.000 -0.557) 0.993 6.952 ( -10.835 0.000 -1.818) 10.986 6.974 ( 1.278 0.000 -2.866) 3.138 7.088 ( 6.609 0.000 7.689) 10.139 7.153 ( -0.153 0.000 2.769) 2.773 7.194 ( -1.885 0.000 6.715) 6.974 7.310 ( 0.152 0.000 1.625) 1.632 7.336 ( -2.551 0.000 -6.522) 7.003 7.391 ( 0.401 0.000 -1.842) 1.885 7.425 ( 4.047 0.000 -1.727) 4.400 7.548 ( 3.743 0.000 0.647) 3.799 7.577 ( 8.944 0.000 6.993) 11.353 7.617 ( -2.691 0.000 -2.716) 3.823 7.630 ( -1.789 0.000 -2.055) 2.725 7.646 ( 0.743 0.000 -1.792) 1.940 7.758 ( -7.532 0.000 -1.093) 7.611 7.777 ( 2.796 0.000 -3.261) 4.295 7.798 ( -3.527 0.000 -3.271) 4.811 7.884 ( -9.395 0.000 1.485) 9.511 7.903 ( 0.393 0.000 -0.573) 0.695 8.014 ( 2.163 0.000 2.895) 3.613 8.023 ( 1.705 0.000 1.030) 1.992 8.046 ( -5.938 0.000 -1.078) 6.035 8.131 ( -5.389 0.000 -2.915) 6.127 8.177 ( 2.036 0.000 4.069) 4.550 8.222 ( -5.563 0.000 -4.684) 7.272 8.400 ( 1.804 0.000 3.036) 3.531 8.405 ( 8.597 0.000 -5.797) 10.369 8.446 ( 5.020 0.000 6.210) 7.985 8.557 ( 1.146 0.000 -5.577) 5.694 8.571 ( -0.897 0.000 3.129) 3.255 8.659 ( 0.333 0.000 -4.009) 4.022 8.748 ( -0.107 0.000 0.773) 0.780 8.779 ( -3.610 0.000 5.539) 6.612 8.781 ( -1.813 0.000 1.607) 2.423 8.889 ( -5.881 0.000 -3.509) 6.848 8.933 ( -1.186 0.000 -1.319) 1.774 9.026 ( 0.559 0.000 0.545) 0.780 9.073 ( -1.788 0.000 2.022) 2.699 9.227 ( 0.509 0.000 -2.063) 2.125 9.378 ( 0.573 0.000 -0.436) 0.720 9.381 ( -11.364 0.000 2.676) 11.675 9.452 ( -2.195 0.000 4.425) 4.940 9.646 ( -1.411 0.000 2.124) 2.550 9.694 ( -1.489 0.000 -0.599) 1.605 9.706 ( 0.498 0.000 0.671) 0.835 9.773 ( -0.966 0.000 -0.656) 1.167 10.006 ( -1.032 0.000 -3.671) 3.813 10.034 ( 0.872 0.000 -0.691) 1.113 10.198 ( 0.758 0.000 -1.540) 1.716 10.267 ( 3.822 0.000 1.310) 4.040 10.321 ( -0.584 0.000 -1.544) 1.650 10.408 ( 0.952 0.000 -0.235) 0.981 10.625 ( 7.625 0.000 4.102) 8.658 10.631 ( 4.809 0.000 -2.914) 5.623 10.711 ( 5.174 0.000 -4.753) 7.026 10.802 ( -0.435 0.000 3.879) 3.903 10.870 ( -4.267 0.000 1.944) 4.689 10.887 ( 0.850 0.000 -2.854) 2.978 11.309 ( 4.315 0.000 0.907) 4.410 11.312 ( -7.382 0.000 -0.137) 7.383 11.443 ( -4.584 0.000 -0.038) 4.584 11.730 ( -4.123 0.000 -0.066) 4.123 12.277 ( -6.035 0.000 -0.399) 6.048 12.335 ( -0.445 0.000 0.802) 0.917 12.437 ( -0.295 0.000 2.930) 2.945 12.488 ( -2.798 0.000 0.136) 2.801 12.584 ( 2.664 0.000 0.660) 2.744 13.956 ( 2.339 0.000 0.478) 2.388 14.044 ( 3.219 0.000 -0.402) 3.244 14.191 ( 2.577 0.000 0.332) 2.598 14.241 ( 2.221 0.000 2.364) 3.243 14.345 ( 6.829 0.000 -0.794) 6.875 14.457 ( 0.434 0.000 -1.830) 1.881 14.544 ( 7.356 0.000 1.256) 7.462 14.741 ( 8.492 0.000 3.278) 9.103 14.745 ( 1.497 0.000 -0.153) 1.505 14.941 ( 4.624 0.000 -1.641) 4.907 15.078 ( 7.881 0.000 -3.584) 8.657 15.140 ( 0.784 0.000 -0.969) 1.246 15.161 ( 3.103 0.000 -0.556) 3.153 15.202 ( -3.266 0.000 5.262) 6.193 15.334 ( -4.287 0.000 -7.416) 8.566 15.660 ( -1.555 0.000 -1.279) 2.013 15.811 ( 0.353 0.000 0.342) 0.492 16.078 ( 0.368 0.000 0.031) 0.369 16.086 ( 0.451 0.000 0.007) 0.451 16.170 ( 0.064 0.000 0.746) 0.749 18.355 ( -5.174 0.000 0.822) 5.239 18.388 ( -6.190 0.000 -0.704) 6.230 18.516 ( -4.301 0.000 -1.032) 4.423 18.667 ( -2.459 0.000 -0.603) 2.532 24.628 ( -0.289 0.000 -0.904) 0.949 24.815 ( 1.492 0.000 0.858) 1.722 24.947 ( 1.329 0.000 -1.266) 1.836 25.522 ( 1.944 0.000 -5.145) 5.500 26.424 ( -0.476 0.000 -0.309) 0.568 26.587 ( 0.111 0.000 0.084) 0.140 26.603 ( -0.369 0.000 0.311) 0.482 26.710 ( -0.330 0.000 0.175) 0.373 27.800 ( -0.181 0.000 -0.682) 0.706 27.836 ( 0.419 0.000 -0.167) 0.451 27.890 ( -0.352 0.000 0.148) 0.382 27.986 ( 0.303 0.000 0.348) 0.462 28.578 ( 3.181 0.000 0.508) 3.221 28.774 ( 13.820 0.000 1.992) 13.963 28.781 ( -1.829 0.000 -0.680) 1.951 28.946 ( -1.353 0.000 6.901) 7.033 29.054 ( -11.423 0.000 -1.812) 11.565 29.080 ( 0.668 0.000 1.403) 1.554 29.298 ( 1.055 0.000 -0.222) 1.078 29.430 ( 4.610 0.000 -2.727) 5.356 29.605 ( 10.892 0.000 3.819) 11.542 29.861 ( -1.373 0.000 -2.571) 2.915 29.949 ( -7.838 0.000 3.880) 8.745 30.001 ( -10.771 0.000 -1.873) 10.932 30.157 ( 1.591 0.000 0.091) 1.594 30.327 ( 1.888 0.000 -0.812) 2.055 30.785 ( -5.105 0.000 0.711) 5.155 30.850 ( -0.071 0.000 -0.567) 0.571 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.000 38.626 0.000) 38.626 0.825 ( 0.000 42.825 0.000) 42.825 1.288 ( 0.000 64.557 0.000) 64.557 2.237 ( 0.000 -7.477 0.000) 7.477 2.315 ( 0.000 -12.130 0.000) 12.130 2.424 ( 0.000 -7.264 0.000) 7.264 2.912 ( 0.000 -14.819 0.000) 14.819 2.925 ( 0.000 -1.461 0.000) 1.461 2.973 ( 0.000 -10.905 0.000) 10.905 3.020 ( 0.000 2.694 0.000) 2.694 3.200 ( 0.000 -10.594 0.000) 10.594 3.375 ( 0.000 -2.021 0.000) 2.021 3.430 ( 0.000 4.834 0.000) 4.834 3.520 ( 0.000 8.224 0.000) 8.224 3.535 ( 0.000 0.622 0.000) 0.622 3.586 ( 0.000 9.134 0.000) 9.134 3.645 ( 0.000 -1.821 0.000) 1.821 3.825 ( 0.000 10.181 0.000) 10.181 3.830 ( 0.000 4.536 0.000) 4.536 4.050 ( 0.000 2.002 0.000) 2.002 4.051 ( 0.000 -3.039 0.000) 3.039 4.159 ( 0.000 -1.045 0.000) 1.045 4.215 ( 0.000 3.342 0.000) 3.342 4.277 ( 0.000 -0.356 0.000) 0.356 4.407 ( 0.000 -4.838 0.000) 4.838 4.419 ( 0.000 4.376 0.000) 4.376 4.431 ( 0.000 -4.951 0.000) 4.951 4.512 ( 0.000 4.622 0.000) 4.622 4.593 ( 0.000 -6.229 0.000) 6.229 4.653 ( 0.000 0.927 0.000) 0.927 4.683 ( 0.000 -2.584 0.000) 2.584 4.752 ( 0.000 -3.495 0.000) 3.495 4.792 ( 0.000 -0.662 0.000) 0.662 4.805 ( 0.000 3.041 0.000) 3.041 4.932 ( 0.000 0.689 0.000) 0.689 4.973 ( 0.000 0.033 0.000) 0.033 4.985 ( 0.000 -9.047 0.000) 9.047 5.035 ( 0.000 8.294 0.000) 8.294 5.087 ( 0.000 6.428 0.000) 6.428 5.145 ( 0.000 3.436 0.000) 3.436 5.187 ( 0.000 4.538 0.000) 4.538 5.210 ( 0.000 -22.644 0.000) 22.644 5.275 ( 0.000 0.111 0.000) 0.111 5.603 ( 0.000 -6.117 0.000) 6.117 5.644 ( 0.000 -3.620 0.000) 3.620 5.774 ( 0.000 -2.092 0.000) 2.092 5.852 ( 0.000 -8.195 0.000) 8.195 5.891 ( 0.000 -8.244 0.000) 8.244 6.074 ( 0.000 -9.518 0.000) 9.518 6.166 ( 0.000 0.274 0.000) 0.274 6.232 ( 0.000 -5.560 0.000) 5.560 6.419 ( 0.000 5.209 0.000) 5.209 6.433 ( 0.000 -3.380 0.000) 3.380 6.493 ( 0.000 6.832 0.000) 6.832 6.521 ( 0.000 6.822 0.000) 6.822 6.550 ( 0.000 4.502 0.000) 4.502 6.563 ( 0.000 -2.490 0.000) 2.490 6.728 ( 0.000 0.148 0.000) 0.148 6.814 ( 0.000 -2.528 0.000) 2.528 6.855 ( 0.000 -0.491 0.000) 0.491 6.912 ( 0.000 3.548 0.000) 3.548 6.975 ( 0.000 7.936 0.000) 7.936 6.986 ( 0.000 -3.697 0.000) 3.697 7.018 ( 0.000 3.593 0.000) 3.593 7.070 ( 0.000 8.344 0.000) 8.344 7.148 ( 0.000 1.571 0.000) 1.571 7.191 ( 0.000 0.835 0.000) 0.835 7.238 ( 0.000 -2.563 0.000) 2.563 7.316 ( 0.000 6.715 0.000) 6.715 7.357 ( 0.000 -1.592 0.000) 1.592 7.409 ( 0.000 -1.293 0.000) 1.293 7.552 ( 0.000 2.324 0.000) 2.324 7.558 ( 0.000 -1.115 0.000) 1.115 7.625 ( 0.000 -3.892 0.000) 3.892 7.645 ( 0.000 4.908 0.000) 4.908 7.713 ( 0.000 -8.118 0.000) 8.118 7.795 ( 0.000 2.785 0.000) 2.785 7.884 ( 0.000 7.239 0.000) 7.239 7.913 ( 0.000 0.554 0.000) 0.554 7.935 ( 0.000 -2.175 0.000) 2.175 7.986 ( 0.000 0.366 0.000) 0.366 8.156 ( 0.000 -6.256 0.000) 6.256 8.235 ( 0.000 4.112 0.000) 4.112 8.299 ( 0.000 1.068 0.000) 1.068 8.342 ( 0.000 11.775 0.000) 11.775 8.378 ( 0.000 0.944 0.000) 0.944 8.465 ( 0.000 2.953 0.000) 2.953 8.478 ( 0.000 -1.948 0.000) 1.948 8.567 ( 0.000 2.897 0.000) 2.897 8.577 ( 0.000 0.727 0.000) 0.727 8.648 ( 0.000 -0.438 0.000) 0.438 8.719 ( 0.000 -3.859 0.000) 3.859 8.719 ( 0.000 -1.417 0.000) 1.417 8.804 ( 0.000 -0.607 0.000) 0.607 8.849 ( 0.000 5.466 0.000) 5.466 8.963 ( 0.000 2.221 0.000) 2.221 8.976 ( 0.000 -0.150 0.000) 0.150 9.080 ( 0.000 -9.185 0.000) 9.185 9.194 ( 0.000 -4.774 0.000) 4.774 9.458 ( 0.000 -3.030 0.000) 3.030 9.563 ( 0.000 -9.370 0.000) 9.370 9.566 ( 0.000 -1.964 0.000) 1.964 9.710 ( 0.000 0.550 0.000) 0.550 9.759 ( 0.000 -3.710 0.000) 3.710 9.796 ( 0.000 -0.993 0.000) 0.993 9.891 ( 0.000 -0.477 0.000) 0.477 9.924 ( 0.000 5.765 0.000) 5.765 10.034 ( 0.000 2.163 0.000) 2.163 10.089 ( 0.000 1.378 0.000) 1.378 10.169 ( 0.000 0.428 0.000) 0.428 10.276 ( 0.000 3.121 0.000) 3.121 10.398 ( 0.000 -4.103 0.000) 4.103 10.412 ( 0.000 -1.308 0.000) 1.308 10.439 ( 0.000 -2.324 0.000) 2.324 10.720 ( 0.000 -1.158 0.000) 1.158 10.786 ( 0.000 0.421 0.000) 0.421 10.812 ( 0.000 3.077 0.000) 3.077 10.986 ( 0.000 12.453 0.000) 12.453 11.058 ( 0.000 -3.652 0.000) 3.652 11.271 ( 0.000 3.832 0.000) 3.832 11.598 ( 0.000 -7.796 0.000) 7.796 11.639 ( 0.000 -6.752 0.000) 6.752 11.864 ( 0.000 0.379 0.000) 0.379 12.134 ( 0.000 -7.978 0.000) 7.978 12.559 ( 0.000 -1.696 0.000) 1.696 12.725 ( 0.000 -2.207 0.000) 2.207 12.918 ( 0.000 7.731 0.000) 7.731 13.038 ( 0.000 3.551 0.000) 3.551 13.309 ( 0.000 0.545 0.000) 0.545 13.323 ( 0.000 0.434 0.000) 0.434 13.337 ( 0.000 0.312 0.000) 0.312 13.356 ( 0.000 -0.010 0.000) 0.010 13.891 ( 0.000 1.816 0.000) 1.816 13.932 ( 0.000 3.413 0.000) 3.413 14.075 ( 0.000 -2.662 0.000) 2.662 14.103 ( 0.000 -1.516 0.000) 1.516 14.533 ( 0.000 1.591 0.000) 1.591 14.549 ( 0.000 1.770 0.000) 1.770 14.631 ( 0.000 -1.204 0.000) 1.204 14.634 ( 0.000 -0.592 0.000) 0.592 15.175 ( 0.000 2.486 0.000) 2.486 15.376 ( 0.000 -2.550 0.000) 2.550 15.727 ( 0.000 -1.426 0.000) 1.426 15.740 ( 0.000 -3.043 0.000) 3.043 15.839 ( 0.000 -0.488 0.000) 0.488 15.843 ( 0.000 -0.072 0.000) 0.072 16.012 ( 0.000 6.276 0.000) 6.276 16.206 ( 0.000 -0.407 0.000) 0.407 18.782 ( 0.000 0.535 0.000) 0.535 18.876 ( 0.000 -2.211 0.000) 2.211 18.930 ( 0.000 0.875 0.000) 0.875 18.959 ( 0.000 0.622 0.000) 0.622 24.657 ( 0.000 1.626 0.000) 1.626 24.704 ( 0.000 1.531 0.000) 1.531 24.808 ( 0.000 -2.038 0.000) 2.038 24.846 ( 0.000 -1.899 0.000) 1.899 26.475 ( 0.000 0.814 0.000) 0.814 26.557 ( 0.000 -1.013 0.000) 1.013 26.637 ( 0.000 0.318 0.000) 0.318 26.714 ( 0.000 -2.203 0.000) 2.203 27.845 ( 0.000 4.201 0.000) 4.201 27.886 ( 0.000 4.685 0.000) 4.685 27.981 ( 0.000 7.077 0.000) 7.077 28.248 ( 0.000 -3.651 0.000) 3.651 28.301 ( 0.000 -4.572 0.000) 4.572 28.498 ( 0.000 -2.089 0.000) 2.089 28.867 ( 0.000 0.197 0.000) 0.197 28.906 ( 0.000 2.222 0.000) 2.222 28.927 ( 0.000 -1.259 0.000) 1.259 29.029 ( 0.000 -1.069 0.000) 1.069 29.312 ( 0.000 -0.124 0.000) 0.124 29.607 ( 0.000 -10.644 0.000) 10.644 29.858 ( 0.000 5.157 0.000) 5.157 29.992 ( 0.000 0.990 0.000) 0.990 30.016 ( 0.000 0.886 0.000) 0.886 30.063 ( 0.000 -0.653 0.000) 0.653 30.079 ( 0.000 -0.764 0.000) 0.764 30.258 ( 0.000 -5.970 0.000) 5.970 30.687 ( 0.000 15.377 0.000) 15.377 31.459 ( 0.000 -7.271 0.000) 7.271 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 26.642 25.565 1.831) 36.970 1.159 ( 25.033 26.523 11.222) 38.158 1.894 ( 39.363 34.307 20.753) 56.188 2.217 ( -3.612 -8.511 -9.373) 13.166 2.329 ( 7.853 -7.982 8.050) 13.791 2.465 ( 2.544 1.493 6.262) 6.922 2.793 ( -6.710 -2.496 -3.962) 8.183 2.894 ( -3.885 -1.148 -0.403) 4.071 3.008 ( 0.744 -9.373 0.915) 9.447 3.090 ( 3.800 -11.161 -0.324) 11.794 3.198 ( -5.424 -0.606 -0.072) 5.458 3.257 ( -8.275 1.072 6.102) 10.337 3.385 ( 2.878 -0.050 -3.765) 4.739 3.505 ( -6.318 1.001 5.951) 8.737 3.557 ( -0.570 -2.929 0.579) 3.040 3.650 ( -0.210 11.863 2.394) 12.104 3.722 ( 1.350 -4.251 -0.143) 4.462 3.835 ( 0.806 -0.474 -9.932) 9.976 3.855 ( 1.106 1.783 -3.622) 4.186 3.924 ( 3.189 3.820 -5.165) 7.172 4.016 ( -7.501 4.039 -3.619) 9.256 4.084 ( -5.658 -8.564 -6.196) 11.990 4.199 ( -0.315 -0.409 -7.353) 7.371 4.268 ( -5.050 -5.269 -2.113) 7.598 4.327 ( -3.947 1.883 -3.828) 5.812 4.411 ( -0.986 4.356 5.075) 6.760 4.444 ( -3.282 2.955 -2.859) 5.261 4.494 ( 1.098 0.026 -1.254) 1.667 4.564 ( -4.487 -4.712 4.906) 8.149 4.622 ( -4.761 5.658 0.602) 7.419 4.690 ( -3.422 -3.895 1.934) 5.533 4.715 ( 3.988 -0.257 -8.506) 9.399 4.784 ( 1.359 -0.559 0.255) 1.491 4.866 ( 3.284 3.304 -5.695) 7.358 4.891 ( 1.621 2.225 4.091) 4.931 4.938 ( 3.463 -0.025 -9.193) 9.824 5.006 ( 0.940 0.874 4.327) 4.513 5.026 ( -1.200 -1.556 8.281) 8.511 5.121 ( 4.147 -1.610 5.776) 7.290 5.171 ( 5.457 4.348 4.587) 8.351 5.264 ( 8.512 -1.730 0.403) 8.696 5.364 ( 6.387 -5.536 2.251) 8.747 5.430 ( 7.123 -13.214 6.639) 16.414 5.565 ( -2.251 -1.885 -4.180) 5.108 5.666 ( 6.034 -2.198 4.567) 7.880 5.722 ( -0.840 -1.768 -1.523) 2.480 5.884 ( -1.539 -6.501 1.413) 6.828 5.926 ( -1.309 3.769 -3.708) 5.447 6.022 ( -3.180 -9.399 7.045) 12.169 6.133 ( -1.677 -6.861 -6.713) 9.744 6.217 ( -4.649 -4.289 7.166) 9.559 6.312 ( -4.935 0.036 -6.435) 8.110 6.361 ( -5.253 2.255 -1.316) 5.866 6.437 ( -2.151 4.440 -0.777) 4.995 6.552 ( 0.532 -0.956 -7.905) 7.980 6.591 ( 2.564 -0.398 3.858) 4.650 6.648 ( -4.872 3.464 0.513) 6.000 6.725 ( 6.576 4.328 3.425) 8.586 6.778 ( 2.311 -1.896 2.263) 3.749 6.844 ( 1.924 2.272 -2.568) 3.932 6.900 ( -2.247 4.526 -2.117) 5.479 6.962 ( -1.900 5.397 -2.802) 6.371 6.988 ( 2.254 2.779 2.353) 4.282 7.083 ( 0.438 5.576 -1.402) 5.766 7.143 ( -2.798 -4.817 1.752) 5.840 7.155 ( 2.843 2.898 2.575) 4.807 7.225 ( -0.940 2.087 -0.100) 2.291 7.295 ( 9.106 -7.561 -3.258) 12.276 7.311 ( 5.185 6.094 4.153) 9.015 7.414 ( -0.105 -3.819 -1.370) 4.059 7.480 ( 0.896 -1.074 2.937) 3.253 7.481 ( 0.312 1.985 1.143) 2.312 7.551 ( -0.928 6.121 1.116) 6.291 7.614 ( -0.346 -7.933 -4.406) 9.080 7.704 ( 2.976 -2.263 -2.160) 4.318 7.743 ( 3.059 -4.488 -0.666) 5.472 7.808 ( -0.164 1.518 -0.636) 1.654 7.817 ( -4.207 0.330 0.636) 4.267 7.874 ( 2.183 -3.477 -3.660) 5.500 7.967 ( -0.665 6.504 3.432) 7.383 8.011 ( 2.117 0.611 -0.083) 2.205 8.162 ( -1.611 3.472 1.999) 4.318 8.206 ( -3.184 -0.201 -2.559) 4.090 8.286 ( -1.868 6.858 5.317) 8.876 8.316 ( -2.871 1.000 2.326) 3.828 8.356 ( -0.771 6.230 -10.844) 12.530 8.395 ( -5.605 3.147 -0.536) 6.450 8.465 ( -7.871 10.156 -2.297) 13.053 8.517 ( 0.746 0.665 -3.794) 3.924 8.567 ( 2.944 0.321 -2.797) 4.074 8.636 ( 4.157 0.049 -6.334) 7.577 8.662 ( 3.606 3.026 4.277) 6.360 8.703 ( 0.222 -1.050 1.096) 1.534 8.782 ( -3.930 -1.962 -2.688) 5.150 8.885 ( -4.504 2.551 3.497) 6.247 8.935 ( -2.899 0.276 3.189) 4.318 8.959 ( -1.705 -5.897 -1.667) 6.361 9.140 ( -0.183 -3.413 5.784) 6.718 9.183 ( 0.129 -4.156 0.852) 4.245 9.413 ( -7.351 -4.891 8.144) 12.012 9.476 ( -8.024 -3.613 -0.609) 8.821 9.515 ( -1.989 -6.088 -2.633) 6.925 9.670 ( -6.107 4.608 5.458) 9.397 9.720 ( -3.241 1.190 0.906) 3.569 9.747 ( -0.829 -1.983 -3.288) 3.928 9.866 ( -4.439 -1.877 7.050) 8.540 9.956 ( -6.203 -0.877 1.972) 6.568 10.028 ( -2.286 2.701 -1.432) 3.818 10.098 ( -3.056 1.453 6.706) 7.511 10.127 ( -0.106 3.219 0.491) 3.258 10.232 ( 2.259 1.421 1.138) 2.901 10.302 ( -5.890 -3.672 1.128) 7.031 10.400 ( -11.618 7.785 -7.442) 15.842 10.450 ( -0.117 1.460 -1.780) 2.305 10.504 ( 5.298 -0.229 -4.299) 6.827 10.644 ( -3.091 0.082 -3.691) 4.815 10.773 ( -5.726 4.644 1.846) 7.600 10.913 ( 0.255 2.942 -3.110) 4.288 10.993 ( 0.286 6.583 -3.713) 7.563 11.278 ( -7.100 4.080 3.574) 8.935 11.570 ( 7.337 -7.677 -0.106) 10.620 11.615 ( 2.955 -5.342 3.507) 7.040 11.735 ( -3.255 -0.942 4.774) 5.855 12.025 ( -10.069 -6.488 -0.556) 11.991 12.513 ( -4.453 -0.440 1.720) 4.794 12.674 ( -5.344 -1.719 0.956) 5.694 12.696 ( -9.673 7.568 1.347) 12.355 12.881 ( -11.771 2.456 -1.460) 12.113 13.558 ( 20.486 2.381 -2.257) 20.747 13.607 ( 22.114 0.380 3.106) 22.334 13.629 ( 21.459 0.692 4.277) 21.893 13.890 ( 7.803 -1.805 0.560) 8.028 13.937 ( 6.037 1.858 -1.031) 6.400 14.109 ( 5.968 -2.205 -0.945) 6.432 14.211 ( 8.714 -0.572 1.004) 8.790 14.450 ( 22.470 -15.736 -4.462) 27.793 14.566 ( 3.167 0.256 -0.144) 3.180 14.615 ( 2.794 -1.022 -1.422) 3.298 14.671 ( 9.683 1.691 -0.507) 9.842 14.844 ( 23.451 -13.656 -6.524) 27.911 15.174 ( -0.184 0.844 1.099) 1.398 15.340 ( -3.297 -2.661 -0.667) 4.289 15.628 ( -0.125 2.753 -17.209) 17.428 15.760 ( -0.521 -5.425 0.579) 5.480 15.827 ( -2.315 0.576 -1.403) 2.767 15.877 ( 1.982 -3.578 5.946) 7.217 16.041 ( 1.599 3.253 3.121) 4.784 16.191 ( -1.650 -0.455 0.680) 1.841 18.704 ( -8.111 0.695 1.056) 8.209 18.815 ( -6.836 -2.444 0.926) 7.318 18.829 ( -9.550 0.679 -1.347) 9.668 18.842 ( -7.779 0.356 -1.206) 7.880 24.688 ( -0.252 1.930 -1.579) 2.506 24.697 ( 3.266 2.104 1.385) 4.124 24.858 ( 1.953 -2.269 -2.076) 3.643 25.112 ( 19.931 -19.418 -8.345) 29.051 26.471 ( -0.501 0.715 -0.149) 0.885 26.559 ( 0.046 -1.143 0.667) 1.324 26.634 ( -0.614 0.434 0.722) 1.042 26.709 ( -0.469 -1.917 0.254) 1.990 27.853 ( 0.657 4.590 -0.531) 4.667 27.879 ( 0.322 5.327 -1.069) 5.442 28.000 ( 0.990 6.197 1.194) 6.389 28.298 ( 3.871 -2.780 -0.593) 4.802 28.339 ( 2.721 -0.032 -6.951) 7.465 28.360 ( -2.587 7.750 -10.682) 13.448 28.856 ( -1.007 -0.472 -0.426) 1.191 28.902 ( 1.411 -0.172 1.721) 2.232 29.002 ( -5.096 7.358 6.361) 10.981 29.033 ( 4.991 2.011 4.644) 7.108 29.254 ( -13.958 6.835 14.707) 21.397 29.331 ( -0.320 1.286 0.377) 1.378 29.578 ( -7.884 -4.020 3.219) 9.417 29.929 ( -5.892 -5.216 0.336) 7.877 30.041 ( 2.671 0.566 0.149) 2.735 30.100 ( 1.706 -1.509 -0.558) 2.345 30.247 ( 0.491 -1.361 1.118) 1.829 30.529 ( 11.387 -8.053 -10.746) 17.606 30.645 ( -5.470 6.814 11.914) 14.775 31.254 ( -14.742 0.291 -0.437) 14.751 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 29.940 11.452 -3.335) 32.229 1.761 ( 25.725 8.460 13.842) 30.413 2.100 ( 0.519 -1.116 -8.048) 8.142 2.273 ( -5.054 4.013 8.232) 10.460 2.450 ( -2.596 2.875 1.486) 4.149 2.619 ( -3.901 -2.616 -1.005) 4.803 2.786 ( -13.793 -6.725 0.944) 15.374 2.852 ( -8.237 -7.383 -2.538) 11.349 2.921 ( -4.169 -0.207 2.032) 4.642 3.006 ( -10.346 2.488 2.337) 10.895 3.194 ( 16.407 6.347 12.099) 21.350 3.294 ( 7.019 -9.788 6.893) 13.878 3.348 ( -1.847 -2.379 -1.443) 3.339 3.398 ( -4.269 2.225 -1.455) 5.030 3.541 ( 1.416 8.338 5.641) 10.167 3.557 ( -1.283 -1.940 -2.190) 3.194 3.695 ( -6.308 -4.066 -11.746) 13.939 3.738 ( -3.901 -5.699 -2.654) 7.399 3.758 ( -2.774 -0.084 -4.352) 5.162 3.899 ( 4.377 -0.507 -7.664) 8.840 4.008 ( 1.665 -4.262 -7.033) 8.391 4.034 ( -3.065 1.817 -2.700) 4.470 4.102 ( 0.015 3.489 0.468) 3.520 4.120 ( -4.874 5.820 -3.583) 8.394 4.277 ( -6.706 3.898 -7.945) 11.104 4.310 ( 7.932 3.652 -6.671) 10.989 4.390 ( -7.097 -0.345 9.238) 11.655 4.418 ( -4.684 -0.039 -0.012) 4.684 4.519 ( -1.930 -2.680 7.254) 7.970 4.618 ( -2.230 4.373 4.388) 6.584 4.681 ( -0.770 10.150 -2.941) 10.596 4.749 ( 3.618 -4.112 4.392) 7.020 4.864 ( 1.218 3.351 -4.212) 5.518 4.881 ( 8.258 1.658 3.283) 9.040 5.006 ( 3.927 1.373 6.224) 7.486 5.019 ( 12.074 -1.702 -8.205) 14.697 5.081 ( 6.579 -3.832 0.900) 7.667 5.180 ( 5.451 -1.776 3.315) 6.622 5.282 ( 0.922 -0.560 6.544) 6.632 5.340 ( 7.450 3.457 2.223) 8.509 5.360 ( 5.287 6.233 0.236) 8.177 5.486 ( 1.243 -5.703 -5.964) 8.345 5.517 ( 10.979 -4.997 -0.844) 12.092 5.585 ( 0.469 -1.790 -2.258) 2.920 5.773 ( 4.593 -4.228 -1.198) 6.357 5.782 ( -3.448 1.910 3.234) 5.099 5.839 ( 2.752 -4.965 5.457) 7.874 5.907 ( 4.979 -1.240 -0.798) 5.193 6.060 ( 0.696 -4.202 1.542) 4.530 6.083 ( -1.657 -3.842 4.247) 5.962 6.127 ( -4.280 -6.070 2.297) 7.775 6.204 ( -2.891 3.906 -1.656) 5.134 6.294 ( -3.193 -5.513 3.317) 7.182 6.396 ( 1.033 9.157 -4.319) 10.176 6.429 ( -4.925 1.119 -1.752) 5.346 6.565 ( -0.881 -4.783 -2.146) 5.316 6.666 ( -6.958 5.161 -1.931) 8.876 6.768 ( -6.048 7.656 -3.296) 10.298 6.783 ( 1.941 1.792 0.954) 2.809 6.842 ( -0.781 3.004 -0.499) 3.143 6.879 ( -0.383 -3.210 -3.378) 4.676 6.930 ( 2.977 1.599 -2.313) 4.095 7.035 ( -1.770 3.732 0.502) 4.160 7.090 ( 3.701 -1.670 4.452) 6.025 7.130 ( -5.157 -0.895 -0.146) 5.236 7.183 ( 1.492 3.929 4.016) 5.813 7.259 ( 2.235 3.433 2.817) 4.971 7.290 ( -1.592 -1.325 -2.569) 3.300 7.353 ( -1.593 -7.807 -3.972) 8.903 7.423 ( -0.467 0.657 -5.208) 5.270 7.454 ( 3.470 0.340 2.099) 4.070 7.539 ( 0.359 0.030 -0.649) 0.742 7.541 ( 3.858 -5.325 -0.484) 6.593 7.681 ( -1.335 -0.641 -3.999) 4.264 7.695 ( 4.689 -4.293 4.058) 7.542 7.746 ( -1.546 -5.323 -0.374) 5.556 7.802 ( -1.605 0.436 -2.893) 3.337 7.853 ( -0.737 2.938 0.183) 3.034 7.880 ( -0.434 0.193 4.116) 4.144 7.917 ( -2.410 -6.239 2.554) 7.159 8.006 ( -2.090 1.319 -2.477) 3.499 8.083 ( -5.464 5.786 -1.090) 8.032 8.150 ( -4.001 -1.027 0.290) 4.141 8.193 ( -2.598 9.326 -4.626) 10.729 8.269 ( -1.510 3.005 1.272) 3.596 8.332 ( 3.483 5.035 3.532) 7.068 8.391 ( 1.792 2.868 -0.433) 3.409 8.407 ( -1.357 4.560 -0.175) 4.761 8.471 ( -4.470 4.449 -4.233) 7.595 8.581 ( 0.062 -1.182 1.140) 1.643 8.645 ( -3.680 0.051 -2.754) 4.597 8.678 ( -1.210 1.068 -2.841) 3.267 8.745 ( 3.544 -0.625 -3.618) 5.103 8.768 ( 2.119 -0.036 3.371) 3.982 8.817 ( -1.328 -0.281 5.124) 5.301 8.832 ( -4.939 1.672 -0.164) 5.217 8.943 ( -2.272 -3.350 3.108) 5.103 9.111 ( -3.572 0.115 1.300) 3.803 9.181 ( -3.365 -2.810 -0.198) 4.388 9.270 ( -10.046 -5.729 2.608) 11.855 9.376 ( -5.397 -6.232 1.876) 8.455 9.411 ( -5.635 -2.666 1.213) 6.351 9.570 ( -8.443 1.406 8.666) 12.181 9.657 ( -4.304 -1.059 -0.686) 4.485 9.713 ( 1.039 2.296 -0.509) 2.571 9.774 ( -3.005 4.171 2.155) 5.574 9.838 ( -6.229 -3.058 1.243) 7.050 9.996 ( 0.254 -0.290 -1.847) 1.886 10.101 ( 1.076 1.517 -1.957) 2.700 10.146 ( -0.810 -1.985 -2.001) 2.932 10.255 ( 2.187 2.830 -2.508) 4.368 10.326 ( 3.660 1.487 1.821) 4.350 10.366 ( 4.555 1.345 0.959) 4.845 10.453 ( 3.828 0.155 -0.282) 3.841 10.540 ( 3.596 -1.668 -6.862) 7.925 10.649 ( 5.251 -0.006 -5.034) 7.274 10.750 ( 1.050 2.948 4.734) 5.675 10.930 ( 2.049 0.858 -7.402) 7.728 10.964 ( -0.695 6.227 1.001) 6.345 11.244 ( -0.133 3.047 5.030) 5.882 11.455 ( -9.135 -4.917 -1.091) 10.431 11.553 ( -7.074 -0.341 2.103) 7.388 11.804 ( -11.374 -6.719 -0.993) 13.247 12.044 ( 15.930 -13.361 6.073) 21.660 12.425 ( -5.639 -0.265 2.593) 6.212 12.511 ( -10.017 3.760 1.204) 10.767 12.571 ( -5.943 -0.516 0.251) 5.970 12.654 ( -9.708 2.865 0.037) 10.123 13.895 ( 8.803 2.543 1.119) 9.231 13.909 ( 12.335 1.836 -1.732) 12.590 14.036 ( 12.079 -2.017 2.511) 12.501 14.080 ( 13.654 -0.994 0.395) 13.696 14.164 ( 10.963 -0.083 1.019) 11.010 14.329 ( 16.483 4.370 5.609) 17.952 14.374 ( 10.744 0.302 -0.862) 10.783 14.546 ( -0.172 -2.121 -3.064) 3.730 14.691 ( 9.057 0.447 -1.294) 9.160 14.749 ( 10.658 -2.664 -1.125) 11.043 14.919 ( 14.479 3.367 -1.428) 14.934 15.055 ( 4.854 -3.700 -4.788) 7.757 15.172 ( -2.270 -0.726 2.323) 3.328 15.277 ( -2.110 -1.146 0.481) 2.448 15.504 ( -2.235 3.260 -13.450) 14.019 15.749 ( -3.526 1.702 -1.611) 4.233 15.761 ( 0.602 -4.555 -1.645) 4.880 15.962 ( 3.578 -6.285 2.180) 7.553 16.087 ( 1.081 1.301 1.136) 2.038 16.165 ( -1.348 -0.479 1.273) 1.916 18.518 ( -11.281 0.664 1.465) 11.395 18.598 ( -12.121 0.628 -1.397) 12.217 18.642 ( -9.476 -2.052 -0.960) 9.743 18.706 ( -6.274 -3.754 -0.493) 7.328 24.669 ( -0.373 2.209 -2.061) 3.044 24.782 ( 3.859 2.945 1.714) 5.148 24.886 ( 2.427 -3.139 -2.698) 4.799 25.319 ( 9.055 -15.822 -8.394) 20.069 26.454 ( -0.865 1.168 -0.399) 1.507 26.565 ( 0.034 -1.458 0.725) 1.629 26.624 ( -0.757 0.863 0.577) 1.285 26.703 ( -0.505 -1.503 0.584) 1.690 27.851 ( -0.006 5.684 -1.006) 5.772 27.901 ( 2.046 6.027 -0.014) 6.365 28.021 ( 0.472 5.024 0.669) 5.090 28.146 ( -4.761 17.168 -8.700) 19.826 28.441 ( 6.463 -4.541 1.025) 7.965 28.474 ( 9.739 -4.251 0.599) 10.644 28.836 ( -0.325 0.014 -3.385) 3.400 28.909 ( -9.806 1.064 18.666) 21.112 28.964 ( 3.190 -1.831 0.172) 3.682 29.174 ( 3.167 -1.049 -0.671) 3.403 29.297 ( 4.170 1.688 7.848) 9.046 29.366 ( 4.626 1.309 -2.901) 5.615 29.446 ( -2.671 -0.039 -0.480) 2.714 29.789 ( -8.294 -11.793 1.308) 14.477 30.097 ( -1.251 -0.107 -0.656) 1.416 30.106 ( 2.560 0.951 -0.038) 2.731 30.290 ( 3.258 2.861 -0.465) 4.361 30.406 ( -11.937 12.051 0.201) 16.964 30.703 ( 1.471 -10.446 1.329) 10.633 30.982 ( -12.735 -1.023 -0.018) 12.776 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 6.095 -1.173 -2.987) 6.889 2.069 ( 0.722 4.314 -6.652) 7.961 2.182 ( -2.525 3.621 5.735) 7.237 2.199 ( 3.019 3.800 4.825) 6.844 2.403 ( -3.240 -5.293 -1.721) 6.440 2.459 ( -10.355 -6.337 -0.978) 12.180 2.510 ( -9.354 -0.025 -7.255) 11.838 2.685 ( 15.325 7.765 4.548) 17.772 2.886 ( 1.019 -2.353 3.074) 4.003 2.983 ( 4.408 -3.820 6.248) 8.548 3.132 ( -10.598 0.450 -4.726) 11.613 3.188 ( -16.431 3.767 4.377) 17.417 3.342 ( -4.745 -15.130 -1.875) 15.967 3.432 ( 0.208 -1.120 -0.362) 1.195 3.458 ( -3.809 -9.454 -1.149) 10.257 3.587 ( -1.288 -6.884 -0.325) 7.011 3.627 ( 2.502 1.469 -5.062) 5.834 3.748 ( 3.566 2.909 -1.612) 4.876 3.779 ( -5.066 7.403 -5.170) 10.353 3.959 ( 1.583 3.000 -0.777) 3.479 3.978 ( 5.954 2.121 -5.270) 8.229 4.038 ( -5.258 -1.011 4.316) 6.877 4.137 ( -0.739 0.209 -0.392) 0.862 4.147 ( 5.282 4.181 -1.899) 6.999 4.207 ( -5.933 1.721 0.480) 6.196 4.275 ( 14.674 -1.417 3.820) 15.229 4.384 ( -0.715 -0.580 3.790) 3.900 4.532 ( 2.668 5.274 1.956) 6.225 4.593 ( 1.438 6.023 1.480) 6.366 4.626 ( 10.465 1.611 4.384) 11.460 4.706 ( 2.349 -0.098 -2.271) 3.269 4.828 ( 1.153 6.649 6.321) 9.246 4.869 ( 6.355 4.430 0.934) 7.803 5.031 ( -2.658 7.956 3.948) 9.271 5.056 ( -0.782 -0.669 1.148) 1.542 5.143 ( 0.726 -2.330 -4.012) 4.696 5.177 ( -2.021 0.395 -2.129) 2.962 5.209 ( 3.104 4.022 -1.876) 5.416 5.311 ( 6.472 -3.268 3.725) 8.151 5.405 ( 3.163 -0.396 -4.734) 5.707 5.429 ( -1.921 0.810 -0.284) 2.104 5.542 ( 0.704 -5.279 1.158) 5.450 5.549 ( 0.223 -2.103 1.379) 2.525 5.634 ( 1.169 -2.832 -3.346) 4.537 5.757 ( -0.228 3.635 0.041) 3.642 5.839 ( 2.212 2.770 2.453) 4.311 5.885 ( -2.762 -3.085 -0.880) 4.233 5.989 ( -0.975 -1.553 -0.631) 1.939 6.018 ( 1.346 0.083 -4.325) 4.531 6.089 ( 1.323 -1.400 -1.599) 2.504 6.149 ( 1.305 -1.910 1.406) 2.707 6.181 ( 0.281 -2.524 2.987) 3.920 6.245 ( -2.034 1.411 -1.979) 3.170 6.394 ( 3.095 4.946 -3.114) 6.614 6.467 ( 2.030 -5.265 5.587) 7.941 6.500 ( -5.300 6.296 1.097) 8.303 6.573 ( -3.834 6.157 0.098) 7.254 6.639 ( 2.606 0.350 -4.184) 4.942 6.721 ( 0.545 -0.241 1.543) 1.654 6.854 ( -0.316 4.647 1.068) 4.779 6.917 ( 2.536 0.365 -1.372) 2.906 6.926 ( -8.515 -1.250 -2.943) 9.096 6.966 ( 1.227 -0.632 -1.385) 1.955 7.066 ( 2.199 -2.661 6.418) 7.287 7.125 ( -1.900 -1.833 0.079) 2.641 7.227 ( -4.261 -2.656 0.559) 5.052 7.262 ( 2.459 -1.969 -2.780) 4.202 7.302 ( -1.030 0.016 3.188) 3.350 7.364 ( 1.338 -4.900 -1.275) 5.237 7.395 ( 2.790 -1.255 -2.153) 3.741 7.479 ( 1.427 -1.474 -0.049) 2.052 7.560 ( 0.263 -2.292 1.228) 2.613 7.586 ( -3.230 -4.506 -1.686) 5.795 7.654 ( -3.827 -0.203 -2.617) 4.641 7.667 ( 3.609 -3.659 -0.392) 5.154 7.714 ( -3.522 -3.355 -1.002) 4.966 7.719 ( -2.688 -2.811 0.865) 3.985 7.809 ( -4.995 -1.616 -3.843) 6.506 7.867 ( -2.203 4.453 3.065) 5.838 7.954 ( 5.263 -0.335 3.121) 6.128 7.993 ( 1.537 3.008 1.500) 3.696 8.038 ( 1.835 1.032 -0.333) 2.132 8.066 ( -2.930 1.201 0.225) 3.175 8.162 ( -2.616 -0.378 0.412) 2.675 8.223 ( -3.291 6.651 -0.350) 7.429 8.273 ( -6.666 5.168 -4.137) 9.394 8.402 ( 2.713 0.761 0.581) 2.877 8.433 ( 2.745 2.909 -1.753) 4.367 8.491 ( 1.562 4.538 1.253) 4.960 8.553 ( 0.474 -1.307 1.222) 1.850 8.627 ( 1.467 -1.440 -2.318) 3.098 8.649 ( 1.423 5.288 0.299) 5.484 8.756 ( -0.898 -1.935 -0.486) 2.188 8.769 ( -0.785 -0.897 -0.668) 1.366 8.799 ( -1.135 1.917 2.489) 3.340 8.859 ( -2.241 -2.910 5.512) 6.624 8.891 ( -5.456 -1.149 -3.417) 6.540 9.035 ( 2.227 -0.405 -1.336) 2.628 9.106 ( -2.231 3.034 2.766) 4.673 9.184 ( -1.066 -2.845 -1.474) 3.377 9.289 ( -5.475 -5.558 2.855) 8.307 9.364 ( -0.557 -3.190 -1.752) 3.682 9.464 ( -5.261 0.042 3.315) 6.218 9.600 ( -1.512 -3.312 0.239) 3.648 9.729 ( 1.247 2.280 -1.097) 2.821 9.750 ( -1.291 2.627 2.041) 3.568 9.792 ( -0.761 2.867 0.557) 3.018 9.985 ( 0.424 -0.737 -2.219) 2.376 10.083 ( -0.136 2.627 -0.980) 2.807 10.144 ( 0.758 -3.718 -0.802) 3.879 10.317 ( 3.266 3.442 -0.214) 4.750 10.357 ( -0.009 3.305 -1.079) 3.476 10.414 ( 0.749 2.058 -1.099) 2.450 10.591 ( 5.683 -2.875 4.784) 7.966 10.609 ( 5.203 -2.175 -1.625) 5.868 10.708 ( 3.261 -2.169 -5.894) 7.077 10.811 ( 0.590 1.188 2.711) 3.018 10.894 ( 0.218 0.726 -2.461) 2.576 10.958 ( -1.793 8.770 0.798) 8.987 11.256 ( -4.129 -3.550 -0.033) 5.445 11.334 ( 0.797 0.931 1.683) 2.082 11.457 ( -3.487 1.993 0.482) 4.045 11.621 ( -6.054 -9.273 -0.232) 11.077 12.283 ( 5.988 -14.960 1.641) 16.197 12.352 ( -4.115 3.436 1.408) 5.543 12.365 ( -3.048 0.903 -0.323) 3.196 12.465 ( -4.632 -0.087 1.427) 4.848 12.555 ( -1.451 -0.216 -0.103) 1.471 13.983 ( 1.926 2.609 0.715) 3.320 14.069 ( 3.895 2.389 -0.817) 4.642 14.177 ( 5.238 -1.233 -0.525) 5.407 14.221 ( 1.223 -1.726 2.361) 3.170 14.378 ( 6.617 3.208 0.151) 7.356 14.462 ( 0.031 0.400 -1.944) 1.985 14.551 ( 5.831 -0.161 0.255) 5.839 14.657 ( 6.665 -4.955 1.302) 8.407 14.804 ( 0.677 2.289 1.430) 2.783 14.919 ( 6.288 -1.977 -1.462) 6.752 15.095 ( 5.915 -0.013 -2.561) 6.446 15.123 ( 3.164 2.025 0.384) 3.776 15.186 ( 3.478 2.349 -0.378) 4.214 15.263 ( -1.057 3.120 6.081) 6.916 15.361 ( -4.547 3.244 -8.626) 10.277 15.692 ( -0.939 3.550 -1.052) 3.819 15.766 ( 0.363 -5.006 -0.562) 5.051 16.029 ( 2.199 -4.672 0.556) 5.194 16.091 ( -0.659 0.677 -0.040) 0.946 16.161 ( -0.122 -0.935 0.564) 1.098 18.343 ( -5.959 -0.380 0.366) 5.983 18.414 ( -5.286 2.071 -0.234) 5.682 18.491 ( -4.518 -2.673 -0.859) 5.319 18.612 ( -2.726 -4.851 -0.218) 5.568 24.652 ( -0.205 2.464 -0.936) 2.644 24.846 ( 1.638 3.402 0.741) 3.848 24.907 ( 1.076 -3.883 -1.237) 4.215 25.386 ( 2.642 -12.212 -3.129) 12.881 26.439 ( -0.412 1.514 -0.201) 1.582 26.569 ( -0.008 -1.692 0.308) 1.720 26.616 ( -0.302 1.157 0.215) 1.216 26.699 ( -0.210 -1.117 0.306) 1.177 27.846 ( -0.019 6.109 -0.385) 6.121 27.948 ( 2.487 7.541 0.960) 7.999 28.018 ( -1.538 9.276 -2.266) 9.672 28.044 ( -1.560 8.814 -0.649) 8.974 28.550 ( 4.131 -2.910 -0.170) 5.056 28.687 ( 9.225 -6.667 1.417) 11.470 28.790 ( -1.688 -1.081 1.105) 2.289 28.879 ( -2.443 -5.042 3.798) 6.769 29.014 ( 1.366 -4.384 0.358) 4.605 29.069 ( -8.674 -0.096 -1.664) 8.833 29.330 ( -0.558 1.815 1.797) 2.615 29.476 ( 6.621 4.619 -1.886) 8.290 29.607 ( 7.498 -1.440 2.544) 8.048 29.687 ( 0.083 -8.784 1.700) 8.948 30.000 ( -6.480 2.650 -2.244) 7.352 30.116 ( -4.464 3.227 0.489) 5.530 30.218 ( -3.632 8.690 0.510) 9.432 30.341 ( 1.946 2.598 -0.545) 3.291 30.694 ( -2.186 -7.811 0.549) 8.130 30.824 ( -3.051 -3.920 -0.293) 4.976 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 0.000 34.135 0.000) 34.135 1.619 ( 0.000 39.891 0.000) 39.891 1.890 ( 0.000 -11.315 0.000) 11.315 2.106 ( 0.000 -5.797 0.000) 5.797 2.188 ( 0.000 -12.229 0.000) 12.229 2.380 ( 0.000 -30.379 0.000) 30.379 2.523 ( 0.000 26.788 0.000) 26.788 2.864 ( 0.000 -6.856 0.000) 6.856 3.042 ( 0.000 24.764 0.000) 24.764 3.063 ( 0.000 1.422 0.000) 1.422 3.103 ( 0.000 -0.726 0.000) 0.726 3.408 ( 0.000 6.391 0.000) 6.391 3.495 ( 0.000 -7.916 0.000) 7.916 3.511 ( 0.000 -2.619 0.000) 2.619 3.570 ( 0.000 1.973 0.000) 1.973 3.600 ( 0.000 4.775 0.000) 4.775 3.734 ( 0.000 2.584 0.000) 2.584 3.851 ( 0.000 -2.312 0.000) 2.312 3.876 ( 0.000 -1.339 0.000) 1.339 4.031 ( 0.000 -23.662 0.000) 23.662 4.167 ( 0.000 7.306 0.000) 7.306 4.182 ( 0.000 5.053 0.000) 5.053 4.240 ( 0.000 -18.636 0.000) 18.636 4.263 ( 0.000 -2.308 0.000) 2.308 4.305 ( 0.000 2.183 0.000) 2.183 4.342 ( 0.000 -4.389 0.000) 4.389 4.383 ( 0.000 0.233 0.000) 0.233 4.403 ( 0.000 0.121 0.000) 0.121 4.444 ( 0.000 -2.857 0.000) 2.857 4.556 ( 0.000 -9.253 0.000) 9.253 4.702 ( 0.000 1.621 0.000) 1.621 4.708 ( 0.000 0.176 0.000) 0.176 4.773 ( 0.000 10.649 0.000) 10.649 4.823 ( 0.000 -0.067 0.000) 0.067 4.915 ( 0.000 5.390 0.000) 5.390 4.939 ( 0.000 -1.803 0.000) 1.803 4.961 ( 0.000 0.819 0.000) 0.819 5.049 ( 0.000 -4.922 0.000) 4.922 5.148 ( 0.000 2.664 0.000) 2.664 5.175 ( 0.000 4.225 0.000) 4.225 5.266 ( 0.000 7.829 0.000) 7.829 5.304 ( 0.000 9.287 0.000) 9.287 5.361 ( 0.000 2.492 0.000) 2.492 5.485 ( 0.000 -6.619 0.000) 6.619 5.536 ( 0.000 -11.039 0.000) 11.039 5.599 ( 0.000 -18.657 0.000) 18.657 5.723 ( 0.000 6.566 0.000) 6.566 5.856 ( 0.000 7.352 0.000) 7.352 5.895 ( 0.000 -8.958 0.000) 8.958 6.052 ( 0.000 -11.571 0.000) 11.571 6.265 ( 0.000 7.595 0.000) 7.595 6.394 ( 0.000 -4.756 0.000) 4.756 6.509 ( 0.000 3.112 0.000) 3.112 6.519 ( 0.000 0.684 0.000) 0.684 6.603 ( 0.000 4.261 0.000) 4.261 6.647 ( 0.000 1.528 0.000) 1.528 6.654 ( 0.000 6.302 0.000) 6.302 6.766 ( 0.000 -2.086 0.000) 2.086 6.784 ( 0.000 3.759 0.000) 3.759 6.832 ( 0.000 -5.342 0.000) 5.342 6.869 ( 0.000 2.785 0.000) 2.785 6.958 ( 0.000 -5.217 0.000) 5.217 7.037 ( 0.000 1.895 0.000) 1.895 7.075 ( 0.000 1.503 0.000) 1.503 7.117 ( 0.000 0.274 0.000) 0.274 7.177 ( 0.000 -2.420 0.000) 2.420 7.254 ( 0.000 4.090 0.000) 4.090 7.272 ( 0.000 6.656 0.000) 6.656 7.361 ( 0.000 1.916 0.000) 1.916 7.401 ( 0.000 2.374 0.000) 2.374 7.432 ( 0.000 0.032 0.000) 0.032 7.520 ( 0.000 -5.761 0.000) 5.761 7.552 ( 0.000 -1.960 0.000) 1.960 7.575 ( 0.000 0.010 0.000) 0.010 7.589 ( 0.000 1.019 0.000) 1.019 7.677 ( 0.000 -4.399 0.000) 4.399 7.870 ( 0.000 4.525 0.000) 4.525 7.908 ( 0.000 0.002 0.000) 0.002 7.939 ( 0.000 1.812 0.000) 1.812 7.957 ( 0.000 -0.793 0.000) 0.793 8.025 ( 0.000 2.461 0.000) 2.461 8.042 ( 0.000 -3.007 0.000) 3.007 8.287 ( 0.000 1.817 0.000) 1.817 8.313 ( 0.000 -0.524 0.000) 0.524 8.424 ( 0.000 3.866 0.000) 3.866 8.445 ( 0.000 0.564 0.000) 0.564 8.491 ( 0.000 -0.331 0.000) 0.331 8.503 ( 0.000 -2.556 0.000) 2.556 8.539 ( 0.000 0.302 0.000) 0.302 8.574 ( 0.000 -1.173 0.000) 1.173 8.668 ( 0.000 -0.360 0.000) 0.360 8.672 ( 0.000 -0.989 0.000) 0.989 8.725 ( 0.000 5.158 0.000) 5.158 8.802 ( 0.000 -1.522 0.000) 1.522 8.896 ( 0.000 1.268 0.000) 1.268 8.944 ( 0.000 -2.943 0.000) 2.943 8.980 ( 0.000 0.805 0.000) 0.805 9.061 ( 0.000 -4.814 0.000) 4.814 9.195 ( 0.000 14.822 0.000) 14.822 9.386 ( 0.000 -4.275 0.000) 4.275 9.430 ( 0.000 -3.360 0.000) 3.360 9.490 ( 0.000 -6.858 0.000) 6.858 9.709 ( 0.000 -0.341 0.000) 0.341 9.712 ( 0.000 -1.048 0.000) 1.048 9.792 ( 0.000 1.283 0.000) 1.283 9.849 ( 0.000 -3.759 0.000) 3.759 10.020 ( 0.000 3.794 0.000) 3.794 10.063 ( 0.000 -0.547 0.000) 0.547 10.137 ( 0.000 3.186 0.000) 3.186 10.167 ( 0.000 0.432 0.000) 0.432 10.310 ( 0.000 0.566 0.000) 0.566 10.316 ( 0.000 -3.096 0.000) 3.096 10.358 ( 0.000 -2.850 0.000) 2.850 10.379 ( 0.000 -3.310 0.000) 3.310 10.733 ( 0.000 2.172 0.000) 2.172 10.778 ( 0.000 -1.738 0.000) 1.738 10.889 ( 0.000 4.671 0.000) 4.671 10.977 ( 0.000 -4.514 0.000) 4.514 11.248 ( 0.000 13.229 0.000) 13.229 11.349 ( 0.000 3.500 0.000) 3.500 11.482 ( 0.000 -5.430 0.000) 5.430 11.497 ( 0.000 -6.877 0.000) 6.877 11.845 ( 0.000 0.927 0.000) 0.927 11.957 ( 0.000 -9.309 0.000) 9.309 12.588 ( 0.000 3.871 0.000) 3.871 12.668 ( 0.000 -3.829 0.000) 3.829 13.037 ( 0.000 4.257 0.000) 4.257 13.076 ( 0.000 0.067 0.000) 0.067 13.322 ( 0.000 0.597 0.000) 0.597 13.328 ( 0.000 -0.033 0.000) 0.033 13.347 ( 0.000 0.643 0.000) 0.643 13.355 ( 0.000 -0.155 0.000) 0.155 13.943 ( 0.000 3.416 0.000) 3.416 14.004 ( 0.000 3.703 0.000) 3.703 14.012 ( 0.000 -3.679 0.000) 3.679 14.064 ( 0.000 -2.587 0.000) 2.587 14.568 ( 0.000 1.942 0.000) 1.942 14.586 ( 0.000 1.901 0.000) 1.901 14.603 ( 0.000 -1.692 0.000) 1.692 14.616 ( 0.000 -1.260 0.000) 1.260 15.237 ( 0.000 3.832 0.000) 3.832 15.312 ( 0.000 -3.874 0.000) 3.874 15.700 ( 0.000 -0.984 0.000) 0.984 15.701 ( 0.000 -0.943 0.000) 0.943 15.836 ( 0.000 0.086 0.000) 0.086 15.840 ( 0.000 -0.239 0.000) 0.239 16.120 ( 0.000 4.693 0.000) 4.693 16.185 ( 0.000 -2.114 0.000) 2.114 18.799 ( 0.000 1.357 0.000) 1.357 18.833 ( 0.000 -2.137 0.000) 2.137 18.949 ( 0.000 0.989 0.000) 0.989 18.963 ( 0.000 -0.316 0.000) 0.316 24.701 ( 0.000 2.791 0.000) 2.791 24.744 ( 0.000 2.635 0.000) 2.635 24.758 ( 0.000 -3.041 0.000) 3.041 24.799 ( 0.000 -2.862 0.000) 2.862 26.497 ( 0.000 1.520 0.000) 1.520 26.529 ( 0.000 -1.726 0.000) 1.726 26.648 ( 0.000 0.896 0.000) 0.896 26.673 ( 0.000 -1.819 0.000) 1.819 27.951 ( 0.000 6.390 0.000) 6.390 28.005 ( 0.000 7.416 0.000) 7.416 28.055 ( 0.000 -2.599 0.000) 2.599 28.150 ( 0.000 -7.144 0.000) 7.144 28.281 ( 0.000 5.958 0.000) 5.958 28.421 ( 0.000 -6.261 0.000) 6.261 28.874 ( 0.000 0.613 0.000) 0.613 28.896 ( 0.000 -1.688 0.000) 1.688 28.954 ( 0.000 2.563 0.000) 2.563 28.999 ( 0.000 -2.080 0.000) 2.080 29.331 ( 0.000 2.465 0.000) 2.465 29.422 ( 0.000 -7.499 0.000) 7.499 29.973 ( 0.000 5.746 0.000) 5.746 30.020 ( 0.000 1.972 0.000) 1.972 30.038 ( 0.000 -1.938 0.000) 1.938 30.045 ( 0.000 2.602 0.000) 2.602 30.056 ( 0.000 -1.569 0.000) 1.569 30.141 ( 0.000 -6.396 0.000) 6.396 30.990 ( 0.000 15.663 0.000) 15.663 31.265 ( 0.000 -12.698 0.000) 12.698 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 13.499 25.529 -4.095) 29.167 1.696 ( 7.385 22.493 6.561) 24.566 2.026 ( -0.309 -6.134 -4.851) 7.826 2.114 ( 12.405 -3.083 9.340) 15.831 2.324 ( 5.594 -6.925 14.768) 17.243 2.530 ( 9.819 -20.623 4.566) 23.293 2.616 ( 8.087 7.791 3.648) 11.807 2.798 ( -5.739 -6.849 -0.698) 8.963 2.983 ( -5.705 6.216 -0.432) 8.448 3.128 ( -1.722 -0.415 3.200) 3.657 3.187 ( 11.422 23.463 2.374) 26.203 3.360 ( -10.306 5.849 0.842) 11.880 3.392 ( -3.922 0.989 -6.651) 7.784 3.514 ( -5.433 0.646 2.319) 5.942 3.532 ( -2.658 -1.774 -1.236) 3.426 3.642 ( 2.247 1.192 10.108) 10.423 3.737 ( -0.469 0.349 -2.500) 2.567 3.833 ( -1.006 -8.751 -2.051) 9.045 3.896 ( -2.215 0.926 0.649) 2.487 3.989 ( -2.070 3.985 -7.477) 8.722 4.020 ( -3.831 2.300 -1.855) 4.839 4.060 ( -7.296 -1.636 -5.781) 9.451 4.138 ( -6.308 -5.825 -5.972) 10.459 4.190 ( -1.249 -7.609 -2.374) 8.068 4.341 ( 3.283 -7.089 -5.960) 9.826 4.379 ( 4.579 -6.709 -4.471) 9.272 4.452 ( -0.915 1.819 -1.334) 2.435 4.498 ( -0.414 -3.021 -0.178) 3.054 4.514 ( 8.937 -4.916 -0.546) 10.215 4.585 ( 9.958 -5.527 -3.679) 11.968 4.663 ( -5.686 7.762 -3.468) 10.227 4.724 ( 2.179 3.239 -0.897) 4.006 4.746 ( -4.656 2.434 -5.502) 7.608 4.772 ( 0.906 -2.143 3.017) 3.810 4.928 ( -1.388 -1.767 -0.034) 2.248 4.951 ( 0.191 -0.141 4.333) 4.340 4.962 ( 2.115 -1.214 4.508) 5.125 5.008 ( 5.045 -1.887 2.362) 5.882 5.137 ( 2.884 10.642 -2.686) 11.348 5.275 ( 2.961 3.169 5.670) 7.139 5.291 ( 7.367 0.372 7.943) 10.840 5.364 ( -3.733 -5.549 2.606) 7.178 5.422 ( 7.322 10.691 0.704) 12.977 5.520 ( 2.898 0.267 0.823) 3.025 5.618 ( 9.557 -5.159 1.501) 10.964 5.699 ( 0.440 -6.640 2.095) 6.977 5.757 ( 2.951 -3.648 -0.986) 4.795 5.821 ( 0.508 -0.740 3.561) 3.673 5.898 ( -3.747 -3.996 4.602) 7.154 5.974 ( -4.060 -9.208 -2.895) 10.472 6.250 ( -4.925 5.411 3.744) 8.219 6.310 ( -7.261 -0.397 -2.668) 7.745 6.431 ( -6.944 3.545 1.392) 7.919 6.495 ( -4.872 -3.376 -3.587) 6.928 6.573 ( 2.451 6.108 -1.924) 6.857 6.612 ( 1.078 1.457 -3.791) 4.202 6.675 ( 0.260 -0.075 2.165) 2.182 6.723 ( 2.094 -3.845 1.214) 4.543 6.817 ( 5.743 4.707 -3.831) 8.356 6.877 ( 4.805 0.400 -2.102) 5.260 6.961 ( -3.046 2.461 2.635) 4.720 7.019 ( 1.957 -0.524 0.878) 2.208 7.045 ( 0.609 1.873 -4.137) 4.581 7.102 ( 1.071 4.430 -1.681) 4.858 7.128 ( 5.029 -3.450 -3.378) 6.972 7.175 ( -0.898 2.388 -1.132) 2.791 7.233 ( 4.379 -1.317 -6.561) 7.997 7.260 ( -0.292 -1.274 -0.553) 1.419 7.356 ( -0.831 -0.103 -1.336) 1.577 7.381 ( -1.532 -0.805 -7.162) 7.368 7.445 ( 0.688 -0.962 4.524) 4.676 7.473 ( 0.309 -4.843 1.300) 5.024 7.551 ( -0.619 6.221 0.880) 6.314 7.625 ( 1.759 0.547 -1.057) 2.123 7.638 ( 2.927 -1.954 1.833) 3.968 7.694 ( -0.943 -6.375 1.889) 6.715 7.767 ( -7.272 1.331 -4.132) 8.470 7.806 ( -2.433 -1.236 1.117) 2.948 7.929 ( 0.722 5.798 2.201) 6.244 8.001 ( 0.665 -1.646 6.828) 7.055 8.107 ( -2.006 5.619 6.125) 8.551 8.186 ( 0.256 -2.533 -1.143) 2.791 8.203 ( 1.272 2.493 -1.944) 3.408 8.276 ( -1.753 -4.101 -1.104) 4.595 8.413 ( -1.999 4.746 0.725) 5.200 8.427 ( 0.043 2.290 0.846) 2.442 8.471 ( 0.505 2.423 -1.544) 2.917 8.495 ( 0.051 -3.608 -1.779) 4.023 8.542 ( -1.244 1.785 -4.033) 4.582 8.572 ( -1.503 0.955 -1.171) 2.132 8.659 ( 0.717 0.457 3.106) 3.221 8.694 ( 2.671 -1.000 -3.401) 4.438 8.730 ( -0.679 4.127 6.580) 7.797 8.801 ( -4.165 4.322 -2.176) 6.384 8.831 ( -2.095 -4.979 3.659) 6.524 8.898 ( -3.882 -3.295 -2.133) 5.520 9.026 ( -4.324 3.752 2.405) 6.209 9.066 ( 2.649 -3.098 4.271) 5.904 9.166 ( -1.379 6.832 0.236) 6.974 9.345 ( -9.995 -5.616 0.552) 11.478 9.368 ( -2.721 -3.478 1.079) 4.546 9.412 ( -4.992 -4.798 -1.578) 7.102 9.709 ( 0.204 0.099 -1.636) 1.652 9.720 ( 0.355 -0.910 -3.534) 3.667 9.739 ( -4.927 2.607 2.694) 6.191 9.806 ( -4.065 -3.917 3.904) 6.863 9.987 ( -7.600 3.110 5.394) 9.825 10.042 ( -7.314 -1.795 5.084) 9.086 10.132 ( 2.185 2.466 1.209) 3.509 10.163 ( 0.914 0.042 -1.646) 1.884 10.232 ( 1.408 -0.678 -1.059) 1.888 10.244 ( -1.722 -1.929 -1.040) 2.787 10.461 ( 3.996 0.486 -2.574) 4.779 10.473 ( 1.528 -0.096 -5.489) 5.698 10.550 ( -10.149 4.526 -4.578) 12.019 10.625 ( -7.161 -2.656 -4.386) 8.808 10.864 ( -4.025 4.395 -0.179) 5.962 10.924 ( -0.987 -1.543 -1.813) 2.577 11.166 ( -2.161 10.450 -4.493) 11.579 11.327 ( -5.282 -2.250 0.306) 5.750 11.429 ( 3.985 -2.994 1.603) 5.236 11.503 ( 1.305 -6.375 5.696) 8.648 11.754 ( -8.472 4.162 2.946) 9.888 11.880 ( -8.512 -8.006 1.581) 11.792 12.548 ( -5.023 3.547 2.219) 6.537 12.622 ( -5.794 -3.630 2.354) 7.231 12.828 ( -11.474 5.593 -0.361) 12.770 12.896 ( -11.941 -1.358 -0.639) 12.035 13.606 ( 20.274 1.331 1.671) 20.386 13.614 ( 21.477 0.161 3.499) 21.761 13.667 ( 23.979 4.665 -1.075) 24.452 13.796 ( 20.132 -7.616 -3.521) 21.811 13.982 ( 6.704 2.778 -0.679) 7.289 14.040 ( 10.216 -3.558 0.121) 10.818 14.211 ( 13.076 0.866 0.880) 13.134 14.252 ( 19.551 -4.128 -0.035) 19.982 14.577 ( 1.586 0.833 -0.903) 2.006 14.596 ( 1.299 -1.043 -1.297) 2.111 14.705 ( 11.787 1.789 -0.477) 11.932 14.740 ( 13.594 -2.126 -0.917) 13.790 15.211 ( -2.673 2.844 0.583) 3.946 15.276 ( -3.600 -3.677 -0.011) 5.146 15.653 ( -2.156 0.722 -5.126) 5.607 15.680 ( -2.222 -2.544 -0.104) 3.379 15.840 ( -0.353 0.653 -1.104) 1.330 15.851 ( 0.782 -0.609 1.050) 1.444 16.115 ( -0.493 3.750 0.982) 3.907 16.170 ( -1.393 -1.932 0.417) 2.418 18.726 ( -7.714 1.614 0.967) 7.940 18.765 ( -7.203 -2.454 0.903) 7.663 18.841 ( -10.022 0.571 -0.961) 10.084 18.848 ( -9.923 -0.034 -1.113) 9.985 24.737 ( 0.235 3.086 -1.752) 3.556 24.758 ( 4.943 4.169 0.999) 6.543 24.803 ( 1.157 -3.115 -1.890) 3.823 24.874 ( 9.685 -7.982 -0.301) 12.554 26.495 ( -0.341 1.682 0.189) 1.726 26.530 ( -0.143 -1.851 0.481) 1.917 26.646 ( -0.415 0.937 0.744) 1.266 26.672 ( -0.325 -1.762 0.614) 1.894 27.963 ( 1.357 6.068 -0.762) 6.264 27.995 ( 0.441 5.102 -1.314) 5.287 28.099 ( 2.669 1.962 0.772) 3.401 28.188 ( 3.699 -6.880 1.147) 7.895 28.307 ( 2.717 3.143 0.656) 4.206 28.406 ( -0.863 -3.755 -1.858) 4.277 28.853 ( -0.794 0.343 -1.749) 1.951 28.875 ( 0.056 -1.913 -1.786) 2.618 29.045 ( 6.614 1.560 0.971) 6.865 29.069 ( 5.827 -0.524 0.009) 5.850 29.329 ( -0.015 2.173 -1.453) 2.614 29.376 ( -3.499 -1.711 -3.646) 5.335 29.620 ( -19.832 9.642 9.609) 24.054 29.803 ( -15.067 -8.199 1.722) 17.240 30.055 ( 2.541 0.936 0.240) 2.718 30.075 ( 2.061 -1.171 -0.158) 2.375 30.257 ( 7.361 2.455 -1.169) 7.847 30.345 ( 12.363 -7.041 -2.746) 14.490 30.903 ( -10.052 14.247 3.172) 17.723 31.143 ( -11.879 -10.279 1.036) 15.743 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 13.523 8.841 -4.825) 16.861 1.964 ( 12.198 -1.182 2.799) 12.570 2.094 ( 10.151 12.590 3.932) 16.644 2.312 ( 3.405 0.532 0.540) 3.488 2.568 ( 9.192 1.485 3.555) 9.967 2.594 ( -9.605 2.904 2.823) 10.424 2.675 ( -7.295 -8.250 4.669) 11.961 2.756 ( -18.812 4.458 5.518) 20.105 2.807 ( -1.919 -13.532 3.128) 14.021 2.962 ( -1.382 -8.892 3.578) 9.684 3.112 ( -12.930 4.613 -3.375) 14.136 3.207 ( -12.249 -5.572 -2.606) 13.707 3.266 ( -3.845 -2.199 -1.487) 4.672 3.342 ( -4.577 -6.889 -3.259) 8.890 3.618 ( -6.156 3.382 -7.540) 10.304 3.706 ( -8.620 -1.750 -6.296) 10.817 3.745 ( -1.236 6.930 8.440) 10.990 3.815 ( 0.144 2.527 -4.097) 4.816 3.832 ( 9.990 8.890 -0.686) 13.390 3.895 ( 3.588 -1.717 -1.883) 4.401 3.916 ( 8.163 9.243 3.465) 12.809 4.051 ( -0.461 3.265 -0.975) 3.439 4.160 ( 4.175 2.380 3.871) 6.171 4.247 ( 2.557 -7.591 -1.775) 8.205 4.275 ( -5.585 5.995 -1.566) 8.342 4.339 ( 2.242 2.433 -10.404) 10.918 4.379 ( -4.492 -1.939 2.051) 5.306 4.474 ( 0.745 1.659 -5.103) 5.418 4.519 ( -2.629 2.695 4.254) 5.681 4.600 ( 0.928 -9.072 -2.082) 9.354 4.723 ( 6.071 5.021 -2.995) 8.428 4.768 ( 4.432 0.978 -0.270) 4.547 4.853 ( 7.383 -5.181 -7.589) 11.787 4.863 ( 9.062 -4.545 3.899) 10.861 4.951 ( 7.788 -4.045 0.207) 8.778 4.998 ( 7.177 -3.572 3.679) 8.820 5.143 ( 2.955 5.112 3.787) 7.014 5.161 ( 5.373 6.967 1.710) 8.963 5.266 ( 11.784 -1.873 6.708) 13.688 5.340 ( 0.794 -0.507 1.248) 1.564 5.402 ( 2.327 -1.856 4.399) 5.311 5.413 ( 4.662 -3.973 -1.822) 6.390 5.560 ( 3.485 8.344 3.740) 9.785 5.621 ( 3.280 1.806 1.989) 4.240 5.675 ( 0.661 -0.520 -3.534) 3.633 5.758 ( -0.785 -4.799 -1.435) 5.071 5.769 ( 5.492 1.836 2.660) 6.373 5.880 ( 1.800 -3.323 2.775) 4.689 5.922 ( 3.717 -7.269 6.905) 10.693 5.960 ( 3.312 -6.134 3.335) 7.727 6.127 ( -6.565 1.814 0.951) 6.878 6.182 ( -3.038 -4.836 -1.788) 5.984 6.324 ( -4.447 6.014 1.109) 7.561 6.403 ( -4.455 -2.701 2.796) 5.913 6.527 ( -4.502 4.135 -2.048) 6.447 6.589 ( -2.338 4.627 0.612) 5.220 6.735 ( -2.518 0.308 -2.102) 3.295 6.794 ( 1.190 -0.649 -3.843) 4.075 6.827 ( 2.105 2.896 -2.395) 4.307 6.864 ( -0.658 0.599 -3.143) 3.266 6.948 ( 1.919 3.972 -5.365) 6.945 6.987 ( 1.885 3.458 -7.282) 8.279 7.076 ( 0.538 0.916 0.076) 1.065 7.095 ( -0.827 2.940 -4.736) 5.635 7.135 ( 0.535 0.779 -1.343) 1.642 7.180 ( -1.619 -3.888 -3.003) 5.172 7.226 ( 3.471 -2.327 1.211) 4.351 7.259 ( -4.523 -3.090 -6.928) 8.832 7.334 ( 0.017 1.126 0.687) 1.319 7.367 ( 1.392 -6.082 -7.650) 9.871 7.451 ( 1.009 1.188 -2.924) 3.313 7.477 ( -0.885 1.369 2.093) 2.653 7.557 ( 0.599 -0.357 0.019) 0.697 7.586 ( -3.112 -5.793 1.269) 6.697 7.665 ( 0.673 0.157 5.254) 5.300 7.687 ( 2.092 -2.057 2.219) 3.678 7.718 ( -3.124 0.161 2.708) 4.137 7.803 ( -6.130 -5.791 2.040) 8.676 7.904 ( -4.643 3.667 1.620) 6.134 7.970 ( -1.818 -1.669 2.323) 3.389 8.042 ( -3.837 2.765 3.050) 5.628 8.081 ( -3.660 -2.547 0.045) 4.459 8.236 ( -3.854 7.697 -0.186) 8.610 8.294 ( -0.246 1.335 -0.923) 1.641 8.367 ( -3.120 4.922 -2.491) 6.338 8.399 ( -2.556 1.651 2.705) 4.072 8.448 ( 0.491 3.172 1.519) 3.550 8.474 ( -2.351 0.192 1.772) 2.950 8.530 ( 0.459 2.794 -2.612) 3.853 8.597 ( -0.522 -1.784 -5.618) 5.917 8.635 ( -0.086 2.021 0.066) 2.024 8.694 ( -0.939 -3.935 3.762) 5.524 8.724 ( 1.545 1.030 -3.829) 4.255 8.733 ( -4.185 1.331 -3.872) 5.855 8.813 ( 0.358 -0.003 5.824) 5.835 8.873 ( -0.488 -4.409 5.482) 7.052 8.935 ( -4.849 6.603 1.757) 8.378 9.058 ( -7.541 -6.350 1.966) 10.053 9.163 ( 0.146 2.245 0.186) 2.257 9.191 ( -3.767 -1.554 2.475) 4.768 9.292 ( -4.912 -1.902 0.363) 5.280 9.330 ( -3.929 -4.843 2.513) 6.724 9.589 ( -9.022 1.325 2.814) 9.543 9.628 ( -6.347 -2.250 -1.169) 6.835 9.749 ( 1.114 1.236 -0.957) 1.919 9.776 ( -1.983 -2.138 0.638) 2.985 9.884 ( -2.046 6.248 2.830) 7.158 9.977 ( -1.410 -2.848 1.492) 3.510 10.120 ( -3.057 0.534 -2.846) 4.211 10.135 ( -0.977 0.336 -1.126) 1.528 10.298 ( 5.106 1.837 -0.198) 5.430 10.332 ( 5.625 -1.119 2.462) 6.241 10.398 ( 3.924 2.200 -1.250) 4.669 10.445 ( 1.817 -1.878 -4.186) 4.934 10.536 ( 3.006 2.118 -5.485) 6.604 10.603 ( 3.875 -3.926 -3.862) 6.734 10.827 ( 0.601 4.675 0.035) 4.714 10.908 ( 0.843 -3.126 -4.130) 5.248 11.141 ( 0.427 10.271 -1.394) 10.374 11.265 ( -3.580 -2.441 2.411) 4.958 11.418 ( -3.282 3.874 0.206) 5.081 11.597 ( -4.530 2.582 1.912) 5.554 11.623 ( -7.009 -10.054 0.717) 12.276 11.764 ( 1.943 -12.088 6.234) 13.739 12.451 ( -6.136 2.529 3.072) 7.313 12.504 ( -7.866 -2.587 3.569) 9.017 12.631 ( -8.134 4.151 -1.614) 9.274 12.679 ( -9.749 -0.592 -0.007) 9.767 13.950 ( 7.301 2.509 1.937) 7.959 13.961 ( 14.649 3.821 -2.192) 15.297 13.995 ( 9.260 -2.247 1.625) 9.667 14.034 ( 14.282 -3.481 -0.850) 14.725 14.214 ( 14.508 4.700 1.100) 15.290 14.311 ( 15.217 -4.440 1.927) 15.968 14.437 ( 7.873 3.958 0.244) 8.815 14.497 ( 3.110 -2.723 -2.083) 4.629 14.695 ( 12.715 0.215 -1.709) 12.831 14.709 ( 12.029 -1.387 -1.388) 12.188 14.981 ( 13.546 2.981 -0.711) 13.889 15.020 ( 10.479 -0.965 -1.220) 10.594 15.168 ( -1.185 1.200 1.288) 2.122 15.225 ( 2.021 -3.841 -0.497) 4.369 15.560 ( -3.682 2.860 -5.359) 7.104 15.639 ( -0.966 -5.927 -1.737) 6.252 15.807 ( -1.411 3.607 -1.579) 4.183 15.875 ( 1.335 -3.529 1.082) 3.925 16.118 ( -0.111 1.801 0.666) 1.924 16.149 ( -1.071 -1.276 0.706) 1.809 18.540 ( -11.769 1.777 1.320) 11.975 18.587 ( -11.099 -3.004 0.901) 11.533 18.617 ( -10.739 1.267 -1.313) 10.893 18.650 ( -8.693 -2.156 -1.057) 9.019 24.728 ( 0.236 3.891 -2.250) 4.501 24.810 ( 1.309 -4.437 -2.467) 5.243 24.872 ( 5.246 6.673 0.925) 8.539 25.046 ( 7.834 -11.786 -1.315) 14.213 26.487 ( -0.558 2.119 0.103) 2.194 26.529 ( -0.271 -2.208 0.541) 2.290 26.643 ( -0.440 1.189 0.850) 1.526 26.670 ( -0.305 -1.677 0.894) 1.924 27.980 ( 1.161 6.261 -1.563) 6.557 28.017 ( 2.011 3.779 -0.011) 4.281 28.139 ( 1.071 6.924 1.016) 7.080 28.279 ( 1.975 -5.882 1.101) 6.302 28.381 ( 4.458 0.933 -3.232) 5.585 28.405 ( 5.435 -1.822 -0.236) 5.737 28.830 ( -0.294 0.051 -2.529) 2.547 28.860 ( -1.939 -3.413 -1.070) 4.068 29.049 ( -6.665 7.578 -0.752) 10.120 29.150 ( -0.575 -2.695 -2.526) 3.738 29.347 ( 4.148 4.469 8.414) 10.391 29.394 ( 7.291 0.624 -0.522) 7.336 29.450 ( -2.669 1.163 1.504) 3.276 29.566 ( -10.133 -10.710 5.186) 15.629 30.104 ( 1.063 0.633 -0.687) 1.415 30.114 ( 2.312 -0.206 -0.651) 2.410 30.358 ( 3.860 5.229 -0.973) 6.572 30.490 ( 4.982 -7.865 -2.275) 9.584 30.679 ( -14.408 11.752 3.633) 18.945 30.885 ( -14.215 -8.683 0.862) 16.679 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 3.124 3.852 -1.611) 5.214 2.075 ( 0.782 -5.397 -2.447) 5.977 2.218 ( -12.193 3.372 -0.095) 12.651 2.266 ( -10.867 -2.018 0.589) 11.069 2.330 ( 5.002 1.813 -3.758) 6.513 2.439 ( -5.068 -3.961 -3.536) 7.340 2.532 ( -1.418 11.405 4.371) 12.296 2.815 ( 6.583 -3.557 6.968) 10.224 2.873 ( 7.540 0.935 1.513) 7.747 2.958 ( -0.161 4.810 1.359) 5.001 3.042 ( -2.383 -8.557 -1.657) 9.036 3.136 ( 2.123 -9.741 2.889) 10.379 3.173 ( -8.296 1.358 -2.807) 8.863 3.277 ( 0.146 -7.391 4.076) 8.442 3.394 ( -8.255 2.866 -1.384) 8.847 3.491 ( -7.273 -4.969 -2.526) 9.163 3.701 ( 1.995 4.799 -4.447) 6.840 3.768 ( -2.815 -0.144 -3.736) 4.679 3.894 ( 3.061 -1.720 -5.633) 6.638 3.947 ( 4.667 0.506 -4.234) 6.321 3.994 ( -0.286 1.256 -5.286) 5.441 4.037 ( -7.892 2.153 9.379) 12.446 4.113 ( -7.742 -1.245 2.098) 8.117 4.145 ( -5.413 -2.760 -2.131) 6.439 4.328 ( 2.004 5.272 4.554) 7.249 4.359 ( 5.377 5.026 -1.152) 7.450 4.496 ( 1.648 1.874 5.838) 6.349 4.543 ( 3.288 0.438 3.728) 4.990 4.624 ( 2.860 4.919 -4.669) 7.360 4.682 ( 11.344 1.206 0.602) 11.424 4.744 ( 2.152 5.240 -2.291) 6.110 4.884 ( 8.781 4.815 3.264) 10.533 4.916 ( 3.013 -6.718 -5.838) 9.396 5.028 ( 3.546 -4.538 2.130) 6.141 5.138 ( 6.649 2.451 5.233) 8.809 5.148 ( 3.407 1.948 6.920) 7.956 5.193 ( 0.763 2.100 2.068) 3.044 5.269 ( 6.698 8.095 -2.914) 10.903 5.324 ( -4.180 -5.337 0.714) 6.816 5.412 ( -4.627 1.420 0.450) 4.861 5.436 ( 0.702 -1.560 0.685) 1.843 5.497 ( 3.021 5.575 -0.806) 6.392 5.539 ( 1.206 -2.314 -6.306) 6.825 5.650 ( 2.859 4.372 1.606) 5.465 5.707 ( 7.568 -6.322 -2.196) 10.102 5.793 ( -1.662 -1.619 -0.609) 2.399 5.877 ( 1.882 -2.140 2.698) 3.924 5.926 ( -2.516 -5.073 0.702) 5.706 5.985 ( 1.360 0.096 1.865) 2.310 6.029 ( -4.288 -2.408 3.083) 5.804 6.138 ( 7.605 1.104 3.192) 8.321 6.169 ( 3.955 -1.704 -0.390) 4.325 6.284 ( -1.859 -0.774 -2.465) 3.183 6.331 ( -3.829 -5.028 1.072) 6.411 6.493 ( 1.094 7.487 3.872) 8.500 6.556 ( -0.546 1.028 2.787) 3.020 6.672 ( -6.772 5.149 -6.498) 10.705 6.733 ( 8.271 2.117 -4.647) 9.720 6.793 ( -2.360 4.592 -1.484) 5.372 6.895 ( -0.986 -1.866 -0.903) 2.296 6.907 ( -4.733 -1.884 -2.503) 5.676 6.936 ( -1.557 -1.602 -0.885) 2.403 7.014 ( -1.048 1.789 -2.103) 2.953 7.020 ( -5.093 9.231 -0.506) 10.555 7.091 ( 1.282 -4.176 -3.041) 5.323 7.146 ( -1.782 0.774 -1.028) 2.198 7.192 ( -8.819 -7.173 -1.902) 11.526 7.250 ( 1.329 -5.843 -0.912) 6.061 7.315 ( 5.414 2.753 -0.373) 6.085 7.388 ( 5.102 -4.273 0.007) 6.656 7.501 ( -0.719 0.528 0.925) 1.285 7.507 ( -0.400 1.013 0.366) 1.149 7.533 ( -0.829 -1.080 1.631) 2.125 7.546 ( 1.043 -4.022 -4.271) 5.959 7.587 ( -6.715 -3.633 3.443) 8.376 7.643 ( -5.333 -3.670 0.235) 6.478 7.730 ( -0.902 0.610 -0.122) 1.096 7.749 ( -0.443 -2.028 -0.486) 2.132 7.937 ( 5.047 0.292 4.000) 6.446 7.942 ( 1.316 0.521 4.026) 4.268 8.043 ( -0.232 0.632 0.336) 0.753 8.053 ( 0.417 -0.296 -1.094) 1.208 8.126 ( -4.905 5.401 -0.311) 7.302 8.178 ( -9.071 0.540 -1.317) 9.182 8.331 ( 0.747 4.357 -0.729) 4.481 8.363 ( -1.458 1.921 -1.380) 2.778 8.438 ( -0.506 3.836 -0.065) 3.870 8.498 ( 1.133 3.044 -0.053) 3.248 8.532 ( -0.033 -2.549 -1.436) 2.926 8.553 ( 2.945 -0.253 0.428) 2.987 8.629 ( -3.451 3.699 3.676) 6.254 8.683 ( -0.356 -1.200 -1.351) 1.842 8.712 ( 3.395 -1.306 -1.458) 3.919 8.720 ( -3.607 -2.967 1.504) 4.907 8.820 ( -2.769 -0.506 3.694) 4.644 8.836 ( -5.261 -1.722 0.435) 5.553 8.911 ( 1.432 5.282 0.142) 5.474 9.007 ( 2.497 -3.189 -0.063) 4.051 9.140 ( -1.430 0.380 -1.668) 2.230 9.171 ( 0.592 -0.953 -1.362) 1.765 9.218 ( -4.152 0.910 3.291) 5.376 9.285 ( -2.052 -4.287 1.041) 4.866 9.476 ( -3.436 1.899 0.869) 4.021 9.532 ( -2.181 -3.588 -0.188) 4.203 9.751 ( 0.488 0.447 -1.265) 1.428 9.763 ( -0.292 -0.523 1.015) 1.179 9.908 ( 0.845 7.510 1.715) 7.750 9.993 ( 0.975 0.717 0.983) 1.559 10.049 ( -0.803 -2.601 -2.797) 3.903 10.102 ( -1.454 -3.717 -1.195) 4.166 10.390 ( 3.466 3.475 0.019) 4.908 10.407 ( 2.403 2.099 -2.221) 3.888 10.488 ( 2.443 3.346 1.468) 4.395 10.532 ( 3.552 -2.644 3.105) 5.408 10.575 ( 3.894 -0.162 -0.963) 4.015 10.633 ( 1.721 -4.796 -4.864) 7.044 10.851 ( 0.767 2.710 0.250) 2.828 10.893 ( -0.015 -1.197 -1.423) 1.859 11.140 ( 0.043 7.758 -1.275) 7.862 11.207 ( -2.766 -1.406 -0.494) 3.142 11.352 ( -1.814 1.854 1.902) 3.217 11.447 ( -7.327 -7.750 -0.318) 10.670 11.561 ( -0.954 10.375 1.919) 10.594 11.883 ( 3.368 -21.916 1.544) 22.227 12.380 ( -2.575 1.505 1.697) 3.432 12.403 ( -3.710 -0.459 1.511) 4.033 12.510 ( -3.323 3.595 -0.561) 4.928 12.553 ( -3.231 -0.802 0.009) 3.329 14.044 ( 2.038 3.537 0.795) 4.159 14.100 ( 3.259 -1.163 -0.553) 3.504 14.160 ( 5.886 1.029 -0.254) 5.980 14.193 ( 3.428 -1.445 0.308) 3.733 14.456 ( 7.036 4.646 0.656) 8.457 14.476 ( 1.479 1.327 -1.395) 2.428 14.522 ( 2.558 -2.243 -1.572) 3.748 14.561 ( 4.732 -5.030 2.265) 7.268 14.834 ( 0.175 1.318 -0.154) 1.339 14.871 ( 3.480 -2.634 -1.128) 4.508 15.122 ( 7.222 2.062 0.140) 7.512 15.145 ( 5.034 -0.099 0.949) 5.124 15.254 ( 4.207 3.632 -0.652) 5.596 15.290 ( 0.106 -0.118 2.368) 2.374 15.458 ( -2.594 6.991 -3.963) 8.445 15.622 ( 0.364 -9.260 -1.991) 9.479 15.794 ( 0.637 6.668 -0.253) 6.703 15.922 ( 2.148 -6.339 0.669) 6.726 16.110 ( -0.669 1.308 -0.080) 1.471 16.137 ( -0.499 -1.422 0.146) 1.514 18.357 ( -6.043 2.019 0.204) 6.374 18.420 ( -5.243 -4.199 -0.065) 6.717 18.460 ( -4.474 2.760 -0.250) 5.263 18.523 ( -3.652 -3.967 -0.099) 5.393 24.719 ( 0.069 4.486 -1.025) 4.602 24.815 ( 0.542 -5.332 -1.144) 5.480 24.950 ( 2.100 7.654 0.339) 7.944 25.140 ( 2.725 -12.132 -0.719) 12.455 26.478 ( -0.289 2.480 0.003) 2.497 26.527 ( -0.161 -2.545 0.212) 2.558 26.641 ( -0.154 1.479 0.380) 1.535 26.672 ( -0.094 -1.610 0.440) 1.672 27.988 ( 0.486 7.098 -0.672) 7.146 28.050 ( 1.028 1.490 0.153) 1.816 28.172 ( 1.675 8.752 1.952) 9.122 28.244 ( -2.553 4.846 -2.396) 5.979 28.490 ( 5.757 -1.463 -1.164) 6.053 28.549 ( 7.722 -6.501 0.329) 10.099 28.758 ( -6.012 -0.857 0.619) 6.104 28.792 ( -2.961 -3.780 -1.476) 5.023 28.977 ( -0.949 1.011 0.268) 1.412 29.031 ( -5.467 -3.463 -1.440) 6.630 29.374 ( -1.709 3.457 3.228) 5.029 29.478 ( -2.656 -7.568 2.922) 8.536 29.571 ( 8.909 4.521 -0.174) 9.992 29.630 ( 10.591 -1.641 1.372) 10.805 30.058 ( -4.493 3.258 -1.355) 5.713 30.113 ( -2.389 -2.141 -0.629) 3.269 30.371 ( -1.954 7.059 -0.077) 7.325 30.487 ( -2.654 10.748 -0.022) 11.071 30.528 ( -1.583 -8.372 0.791) 8.557 30.694 ( -4.508 -9.315 0.069) 10.348 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -4.154 0.000 39.621) 39.838 0.815 ( 1.007 0.000 40.717) 40.729 1.141 ( 9.757 0.000 49.550) 50.501 2.344 ( -2.957 0.000 -8.850) 9.331 2.392 ( 0.445 0.000 13.572) 13.579 2.775 ( -8.146 0.000 -11.748) 14.296 2.828 ( 5.936 0.000 -16.121) 17.179 2.846 ( 1.774 0.000 3.252) 3.704 2.953 ( 0.801 0.000 -1.059) 1.328 3.023 ( 6.419 0.000 -1.124) 6.517 3.211 ( 2.162 0.000 -3.534) 4.143 3.233 ( -2.143 0.000 3.709) 4.284 3.348 ( -2.933 0.000 -0.366) 2.956 3.430 ( 8.362 0.000 -3.315) 8.995 3.552 ( 16.575 0.000 -2.561) 16.772 3.583 ( 2.470 0.000 -4.066) 4.758 3.658 ( -9.005 0.000 -1.345) 9.105 3.671 ( 0.429 0.000 8.714) 8.725 3.845 ( -2.868 0.000 0.869) 2.997 4.001 ( -15.975 0.000 -11.336) 19.588 4.086 ( -6.254 0.000 -3.287) 7.065 4.117 ( 5.660 0.000 -0.610) 5.693 4.198 ( -5.272 0.000 -7.282) 8.990 4.265 ( 2.651 0.000 -3.813) 4.644 4.302 ( 6.683 0.000 1.330) 6.814 4.503 ( -10.223 0.000 -7.496) 12.677 4.506 ( -6.787 0.000 -4.761) 8.290 4.554 ( -1.639 0.000 -5.172) 5.425 4.581 ( -3.265 0.000 3.580) 4.845 4.612 ( -4.956 0.000 -2.510) 5.555 4.670 ( -1.455 0.000 4.755) 4.973 4.723 ( 1.019 0.000 1.767) 2.039 4.728 ( 9.602 0.000 -10.955) 14.567 4.852 ( -10.580 0.000 -5.825) 12.077 4.929 ( 0.891 0.000 3.566) 3.675 4.978 ( 5.164 0.000 7.507) 9.111 4.996 ( -2.269 0.000 5.630) 6.070 5.057 ( 1.922 0.000 5.754) 6.067 5.080 ( 10.608 0.000 7.693) 13.104 5.166 ( 5.880 0.000 9.088) 10.824 5.349 ( 4.776 0.000 -1.374) 4.970 5.415 ( -8.716 0.000 10.740) 13.832 5.527 ( 6.511 0.000 -3.807) 7.543 5.548 ( 5.397 0.000 -17.879) 18.676 5.690 ( -11.751 0.000 -7.701) 14.050 5.845 ( -2.309 0.000 5.782) 6.226 5.889 ( 3.114 0.000 2.859) 4.227 5.970 ( -4.411 0.000 1.255) 4.586 6.072 ( -3.289 0.000 -9.022) 9.602 6.186 ( -6.490 0.000 -0.526) 6.511 6.257 ( 3.946 0.000 -5.802) 7.016 6.363 ( 10.444 0.000 -1.687) 10.580 6.366 ( 2.036 0.000 1.378) 2.458 6.484 ( 1.140 0.000 -0.867) 1.432 6.491 ( 1.014 0.000 3.894) 4.024 6.673 ( -1.670 0.000 -0.425) 1.724 6.679 ( 0.860 0.000 4.396) 4.480 6.784 ( -5.474 0.000 -1.015) 5.567 6.797 ( -0.155 0.000 -1.534) 1.541 6.831 ( -2.349 0.000 2.957) 3.776 6.909 ( -0.131 0.000 -1.032) 1.041 6.952 ( -2.341 0.000 -0.707) 2.445 6.968 ( -1.965 0.000 1.441) 2.437 7.056 ( 8.227 0.000 7.281) 10.986 7.100 ( 5.456 0.000 4.581) 7.124 7.121 ( -1.418 0.000 5.899) 6.067 7.212 ( -0.423 0.000 7.947) 7.958 7.234 ( -6.954 0.000 -2.696) 7.459 7.251 ( 6.949 0.000 -1.670) 7.147 7.305 ( -0.868 0.000 -3.128) 3.246 7.450 ( 0.663 0.000 4.460) 4.509 7.453 ( -0.258 0.000 -3.751) 3.760 7.514 ( -4.008 0.000 2.154) 4.550 7.625 ( -2.375 0.000 0.905) 2.541 7.638 ( 4.839 0.000 4.691) 6.739 7.695 ( -0.364 0.000 -6.303) 6.314 7.802 ( -3.631 0.000 0.837) 3.726 7.838 ( 2.308 0.000 5.491) 5.956 7.885 ( 0.353 0.000 4.374) 4.389 7.940 ( 2.895 0.000 -0.510) 2.940 7.941 ( -2.860 0.000 -5.703) 6.380 8.039 ( -3.302 0.000 -1.651) 3.692 8.149 ( 1.542 0.000 -3.163) 3.519 8.154 ( -3.249 0.000 -8.045) 8.677 8.241 ( 7.828 0.000 -0.716) 7.860 8.304 ( 0.956 0.000 -3.288) 3.425 8.364 ( 1.344 0.000 -3.150) 3.425 8.408 ( -3.939 0.000 0.685) 3.998 8.478 ( 2.697 0.000 -8.889) 9.289 8.585 ( -8.172 0.000 1.857) 8.380 8.616 ( -6.149 0.000 4.045) 7.360 8.654 ( 0.666 0.000 -9.089) 9.114 8.739 ( -3.708 0.000 6.129) 7.163 8.796 ( 5.544 0.000 2.270) 5.991 8.988 ( 0.246 0.000 9.371) 9.374 9.030 ( 0.728 0.000 2.704) 2.801 9.065 ( -2.483 0.000 0.315) 2.502 9.173 ( 1.799 0.000 -2.402) 3.002 9.315 ( 1.533 0.000 7.318) 7.477 9.557 ( 3.246 0.000 -5.225) 6.151 9.558 ( 1.735 0.000 5.049) 5.339 9.700 ( -5.138 0.000 5.015) 7.180 9.713 ( 9.712 0.000 -0.341) 9.718 9.734 ( 1.086 0.000 3.589) 3.749 9.852 ( 2.540 0.000 1.488) 2.944 9.913 ( -0.096 0.000 -0.008) 0.097 9.922 ( -4.622 0.000 7.749) 9.023 10.027 ( 1.503 0.000 2.407) 2.838 10.089 ( 5.818 0.000 -3.311) 6.694 10.139 ( -3.647 0.000 1.299) 3.872 10.220 ( -3.598 0.000 -2.629) 4.456 10.374 ( -4.005 0.000 -6.856) 7.940 10.414 ( -1.575 0.000 -3.558) 3.891 10.538 ( 2.985 0.000 10.596) 11.009 10.624 ( -1.590 0.000 -11.963) 12.068 10.720 ( 1.572 0.000 -1.666) 2.290 10.777 ( 4.157 0.000 -3.259) 5.283 11.016 ( -9.883 0.000 6.238) 11.686 11.239 ( 16.843 0.000 -0.361) 16.847 11.374 ( -2.303 0.000 6.277) 6.686 11.577 ( -5.330 0.000 -13.205) 14.240 11.736 ( -0.520 0.000 2.278) 2.337 11.924 ( -10.270 0.000 -1.900) 10.444 12.130 ( 1.425 0.000 -8.391) 8.511 12.616 ( -1.577 0.000 1.368) 2.088 12.629 ( 0.426 0.000 0.386) 0.575 12.779 ( 4.126 0.000 1.827) 4.512 12.960 ( -3.173 0.000 -2.549) 4.071 13.310 ( 5.646 0.000 0.434) 5.663 13.331 ( 1.824 0.000 0.850) 2.012 13.332 ( 4.684 0.000 -0.089) 4.685 13.371 ( 4.205 0.000 0.932) 4.307 13.893 ( -3.709 0.000 0.161) 3.713 13.905 ( -4.432 0.000 0.557) 4.467 14.103 ( -2.014 0.000 0.092) 2.016 14.119 ( 3.828 0.000 0.337) 3.843 14.525 ( 0.309 0.000 0.804) 0.861 14.528 ( -0.491 0.000 -0.089) 0.499 14.634 ( -0.354 0.000 -0.751) 0.830 14.639 ( -1.668 0.000 -0.443) 1.726 15.162 ( 0.430 0.000 0.259) 0.502 15.269 ( -0.826 0.000 -2.299) 2.443 15.463 ( -2.526 0.000 5.531) 6.080 15.803 ( -1.215 0.000 -3.650) 3.847 15.868 ( -1.251 0.000 0.926) 1.557 15.908 ( 3.579 0.000 0.324) 3.594 16.118 ( -2.328 0.000 0.481) 2.377 16.195 ( 1.426 0.000 -1.311) 1.937 18.795 ( 0.647 0.000 0.490) 0.812 18.868 ( -0.669 0.000 -1.449) 1.596 18.910 ( 1.078 0.000 0.581) 1.225 18.927 ( -0.913 0.000 0.373) 0.986 24.643 ( 1.340 0.000 0.159) 1.349 24.672 ( -1.502 0.000 -0.504) 1.584 24.839 ( -4.823 0.000 0.032) 4.823 24.860 ( -2.031 0.000 -0.458) 2.082 26.482 ( -0.828 0.000 1.473) 1.690 26.606 ( -0.610 0.000 3.659) 3.710 26.614 ( 1.134 0.000 -1.740) 2.077 26.743 ( -0.115 0.000 0.599) 0.610 27.803 ( -0.096 0.000 -0.032) 0.101 27.829 ( -1.866 0.000 -1.032) 2.133 27.927 ( 1.079 0.000 1.771) 2.074 27.930 ( -0.373 0.000 1.030) 1.095 28.292 ( 0.577 0.000 0.441) 0.726 28.343 ( -0.580 0.000 -0.715) 0.921 28.866 ( 0.653 0.000 -0.528) 0.840 28.877 ( -1.227 0.000 -0.495) 1.323 28.948 ( 4.332 0.000 0.886) 4.422 29.031 ( -3.227 0.000 -0.861) 3.340 29.341 ( 0.463 0.000 2.563) 2.604 29.679 ( -1.629 0.000 -5.379) 5.620 29.982 ( 1.202 0.000 0.685) 1.384 29.993 ( 7.195 0.000 2.088) 7.492 30.011 ( 16.492 0.000 1.227) 16.538 30.078 ( -7.768 0.000 1.825) 7.979 30.079 ( -2.109 0.000 -0.614) 2.196 30.435 ( 0.800 0.000 -4.355) 4.428 31.210 ( 1.010 0.000 0.032) 1.011 31.227 ( -6.025 0.000 -0.482) 6.044 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 15.066 0.000 23.528) 27.938 1.366 ( 25.473 0.000 30.891) 40.039 2.094 ( -11.189 0.000 -13.466) 17.508 2.101 ( 41.870 0.000 21.012) 46.846 2.481 ( 0.043 0.000 11.229) 11.229 2.574 ( -9.014 0.000 -4.997) 10.306 2.894 ( 10.430 0.000 -13.617) 17.152 2.897 ( 1.860 0.000 2.865) 3.416 2.973 ( 2.955 0.000 -6.262) 6.924 3.093 ( 0.925 0.000 -7.604) 7.660 3.240 ( 2.228 0.000 5.865) 6.274 3.240 ( 0.174 0.000 2.172) 2.179 3.307 ( -4.993 0.000 11.916) 12.920 3.492 ( -6.890 0.000 -11.505) 13.410 3.533 ( -1.805 0.000 -3.731) 4.145 3.652 ( 13.742 0.000 -0.547) 13.753 3.659 ( -8.761 0.000 -4.223) 9.725 3.726 ( -11.422 0.000 -3.862) 12.057 3.735 ( 5.377 0.000 2.503) 5.931 3.877 ( 6.226 0.000 5.912) 8.586 4.004 ( -8.520 0.000 -6.483) 10.706 4.020 ( -3.518 0.000 7.900) 8.648 4.091 ( -9.121 0.000 -10.972) 14.268 4.196 ( -3.465 0.000 -0.346) 3.482 4.257 ( -9.414 0.000 -4.747) 10.543 4.331 ( -8.672 0.000 -2.555) 9.041 4.417 ( 2.937 0.000 -6.318) 6.968 4.547 ( 4.567 0.000 -2.261) 5.096 4.589 ( -4.168 0.000 4.753) 6.322 4.604 ( 8.637 0.000 -2.078) 8.884 4.633 ( 2.123 0.000 2.560) 3.326 4.694 ( 2.611 0.000 -2.032) 3.308 4.735 ( -3.886 0.000 -0.891) 3.987 4.777 ( 4.898 0.000 -0.248) 4.904 4.852 ( -3.792 0.000 6.002) 7.099 5.123 ( 4.075 0.000 9.862) 10.671 5.123 ( 1.342 0.000 0.132) 1.348 5.195 ( 3.339 0.000 1.484) 3.654 5.232 ( -5.397 0.000 8.404) 9.988 5.238 ( -1.392 0.000 -2.738) 3.072 5.342 ( 9.416 0.000 -14.822) 17.560 5.352 ( 2.557 0.000 3.037) 3.970 5.491 ( 2.080 0.000 4.717) 5.155 5.496 ( 2.324 0.000 -10.401) 10.658 5.680 ( 6.163 0.000 -4.360) 7.549 5.824 ( -6.921 0.000 1.793) 7.150 5.894 ( 1.882 0.000 5.163) 5.495 5.926 ( -5.343 0.000 1.993) 5.702 5.947 ( -0.742 0.000 -9.823) 9.851 6.132 ( 0.586 0.000 -1.808) 1.901 6.290 ( 3.483 0.000 -4.463) 5.661 6.352 ( -7.045 0.000 0.591) 7.070 6.417 ( 3.847 0.000 1.746) 4.225 6.503 ( -9.874 0.000 -5.014) 11.074 6.529 ( -17.254 0.000 7.271) 18.724 6.542 ( -0.016 0.000 8.184) 8.184 6.680 ( 0.094 0.000 1.495) 1.498 6.744 ( -4.148 0.000 2.405) 4.795 6.748 ( 12.347 0.000 -1.624) 12.453 6.853 ( -4.174 0.000 -0.020) 4.174 6.893 ( 5.184 0.000 7.558) 9.165 6.928 ( 1.526 0.000 -0.585) 1.634 6.945 ( -3.934 0.000 4.574) 6.033 7.073 ( -0.880 0.000 -1.626) 1.849 7.119 ( 0.095 0.000 -2.557) 2.559 7.265 ( 0.387 0.000 2.554) 2.583 7.268 ( 3.884 0.000 4.519) 5.959 7.271 ( 5.919 0.000 -2.478) 6.417 7.354 ( -7.372 0.000 -0.905) 7.427 7.385 ( 4.764 0.000 2.803) 5.528 7.444 ( 1.198 0.000 -4.301) 4.465 7.477 ( 9.788 0.000 -2.403) 10.078 7.545 ( 7.120 0.000 5.175) 8.802 7.626 ( -1.111 0.000 -5.888) 5.992 7.676 ( -2.630 0.000 2.360) 3.534 7.741 ( 6.120 0.000 4.084) 7.357 7.780 ( -7.886 0.000 -8.044) 11.265 7.830 ( 3.841 0.000 -2.180) 4.416 7.847 ( -2.555 0.000 -4.716) 5.363 7.921 ( -2.121 0.000 6.615) 6.946 7.988 ( 3.574 0.000 2.901) 4.603 7.995 ( 0.290 0.000 0.464) 0.547 8.101 ( 3.599 0.000 -2.702) 4.501 8.129 ( 0.894 0.000 -3.940) 4.040 8.275 ( -0.552 0.000 -1.580) 1.674 8.316 ( -0.358 0.000 -3.767) 3.784 8.344 ( -2.568 0.000 0.344) 2.591 8.361 ( -0.573 0.000 -3.996) 4.037 8.499 ( -7.599 0.000 1.641) 7.774 8.529 ( 6.712 0.000 -2.480) 7.155 8.580 ( 3.424 0.000 -1.273) 3.653 8.621 ( 0.709 0.000 -5.328) 5.375 8.714 ( -2.149 0.000 7.460) 7.763 8.852 ( -2.783 0.000 6.662) 7.220 8.978 ( -7.709 0.000 2.199) 8.017 8.998 ( -4.495 0.000 6.393) 7.815 9.024 ( -1.172 0.000 0.925) 1.493 9.171 ( 0.225 0.000 -4.267) 4.273 9.325 ( -5.947 0.000 6.636) 8.911 9.442 ( -7.389 0.000 -9.405) 11.960 9.608 ( 0.023 0.000 4.723) 4.724 9.636 ( -6.349 0.000 8.064) 10.264 9.688 ( -4.589 0.000 -1.725) 4.902 9.750 ( -2.292 0.000 6.215) 6.624 9.809 ( -7.920 0.000 7.727) 11.065 9.954 ( -0.039 0.000 -0.834) 0.835 9.991 ( -4.696 0.000 -1.058) 4.814 9.994 ( 4.750 0.000 -1.358) 4.940 10.100 ( 3.106 0.000 2.646) 4.080 10.158 ( -0.589 0.000 -6.688) 6.714 10.189 ( -9.848 0.000 1.153) 9.915 10.257 ( 2.975 0.000 -1.632) 3.393 10.371 ( 1.440 0.000 -6.203) 6.368 10.454 ( -4.077 0.000 -8.292) 9.240 10.581 ( -8.233 0.000 12.104) 14.639 10.643 ( -25.771 0.000 7.306) 26.786 10.739 ( 3.037 0.000 -4.407) 5.352 10.829 ( -7.319 0.000 2.591) 7.764 10.919 ( -0.640 0.000 7.114) 7.143 11.337 ( -5.116 0.000 8.842) 10.215 11.692 ( -5.217 0.000 1.738) 5.498 11.702 ( -1.882 0.000 -0.684) 2.002 11.733 ( 20.380 0.000 -6.243) 21.315 12.002 ( -7.471 0.000 -7.806) 10.805 12.558 ( -3.554 0.000 -1.189) 3.748 12.574 ( -5.498 0.000 0.179) 5.501 12.750 ( -6.757 0.000 3.240) 7.494 12.795 ( -10.460 0.000 -2.971) 10.873 13.497 ( 17.840 0.000 -1.480) 17.902 13.650 ( 22.446 0.000 1.603) 22.504 13.717 ( 21.697 0.000 4.698) 22.199 13.922 ( 12.944 0.000 2.355) 13.157 13.943 ( 9.025 0.000 -1.066) 9.088 14.097 ( 2.364 0.000 -1.581) 2.843 14.237 ( 5.460 0.000 0.521) 5.484 14.305 ( 35.642 0.000 -24.179) 43.069 14.567 ( -0.052 0.000 -0.385) 0.388 14.621 ( 4.202 0.000 -0.478) 4.229 14.641 ( 11.042 0.000 -0.683) 11.063 14.746 ( 16.420 0.000 -9.040) 18.744 15.181 ( 2.342 0.000 -0.912) 2.513 15.219 ( -2.639 0.000 -1.772) 3.179 15.433 ( -4.380 0.000 6.603) 7.923 15.775 ( 0.556 0.000 -2.808) 2.863 15.818 ( -4.354 0.000 0.175) 4.357 15.983 ( 3.803 0.000 -0.499) 3.836 16.067 ( -2.702 0.000 -0.113) 2.705 16.195 ( -0.498 0.000 -0.724) 0.879 18.725 ( -7.906 0.000 1.413) 8.031 18.770 ( -8.059 0.000 -2.312) 8.384 18.826 ( -8.867 0.000 -0.392) 8.876 18.858 ( -5.844 0.000 0.819) 5.901 24.639 ( -1.100 0.000 -1.310) 1.711 24.701 ( 3.763 0.000 0.828) 3.853 24.850 ( 1.530 0.000 -0.799) 1.726 25.036 ( 16.932 0.000 -8.573) 18.978 26.468 ( -1.464 0.000 0.985) 1.764 26.617 ( 0.195 0.000 -1.273) 1.288 26.621 ( -0.636 0.000 4.012) 4.062 26.739 ( -0.631 0.000 0.274) 0.688 27.805 ( -0.458 0.000 -0.496) 0.675 27.808 ( 0.571 0.000 0.079) 0.577 27.924 ( -0.849 0.000 0.868) 1.214 27.962 ( 1.218 0.000 1.175) 1.692 28.365 ( 6.539 0.000 0.963) 6.610 28.371 ( 3.793 0.000 -1.633) 4.130 28.833 ( -2.243 0.000 -1.149) 2.521 28.913 ( 3.984 0.000 0.502) 4.015 29.012 ( 2.697 0.000 -2.869) 3.938 29.097 ( 9.406 0.000 3.053) 9.890 29.359 ( -1.067 0.000 3.219) 3.391 29.543 ( -7.612 0.000 -5.589) 9.444 29.708 ( -21.089 0.000 17.218) 27.225 29.964 ( -2.949 0.000 -2.364) 3.780 30.047 ( 1.976 0.000 1.269) 2.348 30.098 ( 3.931 0.000 -1.355) 4.158 30.310 ( 4.097 0.000 -1.791) 4.471 30.367 ( -4.306 0.000 -4.234) 6.039 30.970 ( -13.711 0.000 5.753) 14.869 31.143 ( -7.810 0.000 0.228) 7.813 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 22.393 0.000 6.344) 23.274 1.843 ( 1.968 0.000 -12.843) 12.993 2.116 ( 25.945 0.000 25.887) 36.651 2.381 ( -8.292 0.000 0.097) 8.293 2.416 ( -1.975 0.000 -8.245) 8.478 2.494 ( -12.931 0.000 6.903) 14.658 2.845 ( -16.220 0.000 -3.379) 16.569 2.958 ( 11.840 0.000 -13.693) 18.102 3.003 ( -3.550 0.000 -7.993) 8.746 3.097 ( -20.483 0.000 4.724) 21.021 3.178 ( 9.717 0.000 -2.001) 9.921 3.203 ( 3.695 0.000 2.886) 4.689 3.287 ( -17.563 0.000 -2.836) 17.790 3.393 ( 2.323 0.000 -10.936) 11.180 3.489 ( 5.283 0.000 11.506) 12.661 3.551 ( -3.745 0.000 1.032) 3.885 3.625 ( 6.772 0.000 -13.774) 15.349 3.743 ( 1.958 0.000 -6.382) 6.676 3.827 ( 1.030 0.000 0.600) 1.192 3.879 ( 2.054 0.000 6.484) 6.802 3.922 ( 6.518 0.000 1.924) 6.796 3.990 ( -15.461 0.000 -0.564) 15.471 3.993 ( -9.081 0.000 6.785) 11.336 4.177 ( 15.197 0.000 16.641) 22.536 4.201 ( -2.709 0.000 0.637) 2.783 4.237 ( 6.319 0.000 8.867) 10.889 4.371 ( -2.265 0.000 -4.029) 4.622 4.536 ( -6.087 0.000 7.622) 9.754 4.604 ( -1.392 0.000 1.357) 1.944 4.632 ( -2.630 0.000 5.337) 5.950 4.693 ( -1.527 0.000 4.576) 4.824 4.711 ( 13.404 0.000 -13.745) 19.198 4.885 ( 8.326 0.000 -8.020) 11.561 4.930 ( 1.394 0.000 4.363) 4.580 4.971 ( 13.650 0.000 5.432) 14.691 4.984 ( -0.866 0.000 -3.215) 3.330 5.159 ( -4.986 0.000 -4.517) 6.728 5.168 ( 2.681 0.000 -9.203) 9.585 5.224 ( -2.492 0.000 1.821) 3.086 5.324 ( 7.288 0.000 6.838) 9.994 5.429 ( 13.326 0.000 -13.666) 19.088 5.463 ( 4.785 0.000 -0.257) 4.792 5.625 ( 4.135 0.000 4.345) 5.998 5.627 ( -1.416 0.000 4.364) 4.588 5.724 ( 9.179 0.000 -11.299) 14.558 5.765 ( 1.842 0.000 16.397) 16.500 5.819 ( -7.274 0.000 1.473) 7.422 5.835 ( -1.860 0.000 -5.486) 5.793 6.005 ( 6.075 0.000 -8.111) 10.134 6.156 ( -13.003 0.000 -6.734) 14.643 6.159 ( 2.756 0.000 -3.593) 4.528 6.206 ( -11.972 0.000 0.855) 12.002 6.314 ( 0.773 0.000 3.737) 3.816 6.324 ( -8.328 0.000 3.579) 9.064 6.492 ( 1.475 0.000 1.193) 1.897 6.605 ( -1.719 0.000 0.565) 1.809 6.631 ( -12.963 0.000 2.719) 13.245 6.735 ( 4.735 0.000 5.195) 7.029 6.774 ( -0.210 0.000 -2.056) 2.067 6.856 ( -3.617 0.000 -4.630) 5.876 6.877 ( -2.590 0.000 3.279) 4.178 6.897 ( 1.559 0.000 -1.824) 2.400 7.037 ( 2.214 0.000 5.134) 5.591 7.105 ( -0.080 0.000 -1.735) 1.737 7.185 ( 8.566 0.000 -3.448) 9.234 7.231 ( -3.933 0.000 5.931) 7.116 7.305 ( 6.298 0.000 3.059) 7.002 7.328 ( 0.421 0.000 3.001) 3.031 7.388 ( -4.765 0.000 -2.091) 5.203 7.389 ( 6.361 0.000 -0.997) 6.439 7.455 ( 2.342 0.000 -2.225) 3.230 7.477 ( -8.222 0.000 -2.838) 8.698 7.563 ( 3.021 0.000 -3.163) 4.374 7.589 ( 0.514 0.000 -4.343) 4.373 7.715 ( 5.381 0.000 0.112) 5.382 7.736 ( 1.012 0.000 -3.164) 3.321 7.741 ( -6.216 0.000 1.723) 6.450 7.865 ( -1.661 0.000 6.386) 6.599 7.887 ( 2.657 0.000 0.521) 2.708 7.976 ( 4.359 0.000 0.876) 4.446 8.007 ( 0.083 0.000 1.839) 1.841 8.011 ( 0.177 0.000 -0.179) 0.252 8.151 ( -0.642 0.000 -3.395) 3.455 8.185 ( 3.457 0.000 2.382) 4.198 8.200 ( -4.861 0.000 -5.511) 7.349 8.242 ( -0.487 0.000 -1.198) 1.293 8.277 ( -7.626 0.000 -4.257) 8.733 8.360 ( 4.793 0.000 1.589) 5.049 8.395 ( -1.445 0.000 -4.806) 5.019 8.531 ( -6.292 0.000 -0.030) 6.292 8.617 ( 1.903 0.000 -0.894) 2.103 8.630 ( 2.573 0.000 1.707) 3.088 8.791 ( 3.111 0.000 5.357) 6.195 8.832 ( -6.701 0.000 1.468) 6.860 8.847 ( -0.249 0.000 3.257) 3.266 8.937 ( -2.855 0.000 3.305) 4.368 9.012 ( -3.253 0.000 3.324) 4.651 9.131 ( -0.664 0.000 -6.285) 6.320 9.157 ( -12.942 0.000 -10.553) 16.700 9.215 ( -7.283 0.000 4.110) 8.363 9.515 ( -10.394 0.000 6.566) 12.294 9.607 ( -6.458 0.000 -0.853) 6.514 9.624 ( -1.966 0.000 3.619) 4.119 9.727 ( -4.077 0.000 6.644) 7.795 9.776 ( -2.789 0.000 5.909) 6.534 9.783 ( -6.422 0.000 -3.892) 7.510 9.831 ( -15.018 0.000 0.371) 15.022 10.023 ( 0.309 0.000 3.076) 3.092 10.024 ( -2.295 0.000 0.926) 2.475 10.138 ( 4.696 0.000 0.029) 4.696 10.214 ( 3.822 0.000 3.662) 5.293 10.320 ( 1.867 0.000 1.294) 2.272 10.410 ( 1.223 0.000 -7.785) 7.880 10.459 ( 0.434 0.000 4.677) 4.697 10.467 ( 6.055 0.000 -0.971) 6.132 10.544 ( 6.489 0.000 -4.038) 7.643 10.797 ( 5.067 0.000 -2.569) 5.681 10.858 ( 2.775 0.000 6.019) 6.628 10.973 ( -0.460 0.000 3.939) 3.966 11.320 ( -2.221 0.000 7.388) 7.715 11.498 ( -11.320 0.000 -2.444) 11.581 11.573 ( -7.685 0.000 0.917) 7.740 11.795 ( -6.693 0.000 -6.908) 9.619 12.125 ( 17.156 0.000 -10.587) 20.160 12.430 ( -9.515 0.000 -0.727) 9.543 12.484 ( -1.959 0.000 -1.155) 2.274 12.586 ( -7.968 0.000 -1.758) 8.160 12.602 ( -9.052 0.000 0.472) 9.064 13.839 ( 16.102 0.000 -2.242) 16.257 13.897 ( 5.071 0.000 1.500) 5.289 14.109 ( 7.783 0.000 0.104) 7.784 14.129 ( 20.260 0.000 2.642) 20.432 14.172 ( 7.052 0.000 -1.228) 7.158 14.313 ( 4.384 0.000 -1.565) 4.655 14.442 ( 13.526 0.000 5.744) 14.695 14.574 ( 10.883 0.000 5.559) 12.220 14.585 ( 11.797 0.000 -8.340) 14.447 14.768 ( 9.745 0.000 -0.590) 9.763 14.821 ( 9.050 0.000 -2.294) 9.336 14.999 ( 12.343 0.000 -8.122) 14.775 15.160 ( -2.612 0.000 0.057) 2.613 15.262 ( 6.646 0.000 -1.041) 6.727 15.403 ( -4.308 0.000 9.525) 10.454 15.720 ( -5.214 0.000 0.317) 5.223 15.773 ( 1.100 0.000 -3.518) 3.686 16.023 ( -0.517 0.000 -3.633) 3.670 16.036 ( 2.411 0.000 -1.700) 2.950 16.180 ( -0.494 0.000 -0.374) 0.619 18.544 ( -11.188 0.000 1.604) 11.302 18.554 ( -11.614 0.000 -2.071) 11.798 18.635 ( -9.260 0.000 -1.056) 9.320 18.738 ( -6.013 0.000 -0.045) 6.013 24.620 ( -0.124 0.000 -0.682) 0.693 24.775 ( 3.115 0.000 0.125) 3.118 24.903 ( 3.422 0.000 1.720) 3.830 25.262 ( 12.881 0.000 -7.867) 15.093 26.446 ( -1.373 0.000 1.053) 1.730 26.606 ( -0.375 0.000 -1.166) 1.224 26.634 ( -0.972 0.000 4.255) 4.364 26.725 ( -0.825 0.000 -0.050) 0.826 27.799 ( -0.048 0.000 0.239) 0.243 27.822 ( 0.710 0.000 0.121) 0.720 27.913 ( -0.891 0.000 0.911) 1.274 27.983 ( 0.523 0.000 0.241) 0.576 28.440 ( 4.606 0.000 -3.844) 5.999 28.547 ( 11.473 0.000 1.206) 11.536 28.794 ( -1.129 0.000 0.005) 1.129 29.006 ( 4.826 0.000 0.101) 4.827 29.081 ( 5.561 0.000 -2.509) 6.101 29.239 ( -4.748 0.000 -1.312) 4.926 29.318 ( -5.456 0.000 3.002) 6.227 29.430 ( 6.892 0.000 0.461) 6.907 29.517 ( -10.718 0.000 15.698) 19.008 29.857 ( -4.361 0.000 -6.825) 8.099 30.104 ( 2.801 0.000 0.481) 2.842 30.128 ( -3.002 0.000 -2.164) 3.701 30.255 ( -9.744 0.000 5.647) 11.262 30.267 ( -0.697 0.000 -2.856) 2.940 30.834 ( -2.869 0.000 -1.062) 3.059 30.952 ( -10.640 0.000 -0.285) 10.644 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 7.325 0.000 -0.794) 7.368 1.915 ( 10.238 0.000 -3.135) 10.707 2.246 ( 2.488 0.000 -7.504) 7.905 2.278 ( -5.064 0.000 5.650) 7.587 2.424 ( -14.848 0.000 0.855) 14.873 2.520 ( 5.933 0.000 9.923) 11.561 2.663 ( -13.644 0.000 7.870) 15.752 2.755 ( 18.152 0.000 15.789) 24.058 2.974 ( -20.943 0.000 -0.181) 20.943 3.034 ( -6.861 0.000 -7.396) 10.089 3.055 ( 6.910 0.000 -3.773) 7.874 3.088 ( -12.186 0.000 -6.280) 13.709 3.224 ( 8.827 0.000 -13.357) 16.010 3.415 ( -3.464 0.000 -0.797) 3.554 3.422 ( 6.070 0.000 -0.112) 6.071 3.616 ( 1.661 0.000 -3.324) 3.716 3.644 ( 5.970 0.000 7.794) 9.818 3.723 ( -3.022 0.000 -6.654) 7.308 3.805 ( -2.361 0.000 -0.429) 2.399 3.830 ( 2.209 0.000 -6.214) 6.595 3.913 ( -7.559 0.000 10.969) 13.321 4.005 ( 11.939 0.000 3.861) 12.548 4.087 ( 5.485 0.000 -6.252) 8.317 4.187 ( 0.655 0.000 -0.976) 1.175 4.292 ( -3.081 0.000 0.345) 3.100 4.372 ( 0.971 0.000 7.559) 7.621 4.491 ( -3.290 0.000 -2.933) 4.408 4.564 ( -0.816 0.000 -3.159) 3.263 4.598 ( -0.574 0.000 8.704) 8.723 4.703 ( -1.884 0.000 1.356) 2.321 4.718 ( -3.292 0.000 14.813) 15.175 4.776 ( -0.015 0.000 -7.977) 7.977 4.873 ( 0.265 0.000 10.218) 10.222 4.963 ( 6.118 0.000 -13.218) 14.566 5.024 ( -0.556 0.000 -4.367) 4.402 5.077 ( -4.355 0.000 -3.385) 5.516 5.116 ( -4.270 0.000 5.303) 6.809 5.181 ( 5.559 0.000 14.223) 15.270 5.250 ( 9.547 0.000 -2.928) 9.986 5.434 ( -6.922 0.000 -1.664) 7.119 5.475 ( 9.735 0.000 -15.228) 18.074 5.591 ( 4.091 0.000 -0.420) 4.113 5.642 ( 12.008 0.000 -0.546) 12.020 5.708 ( 4.863 0.000 2.708) 5.566 5.731 ( -4.005 0.000 2.582) 4.765 5.790 ( -13.604 0.000 -0.738) 13.624 5.810 ( 4.263 0.000 -9.589) 10.494 5.866 ( 5.295 0.000 2.024) 5.669 5.993 ( 4.533 0.000 14.836) 15.513 6.025 ( 0.899 0.000 -5.905) 5.973 6.144 ( 2.813 0.000 -11.216) 11.564 6.166 ( 2.554 0.000 3.408) 4.259 6.289 ( 1.575 0.000 3.953) 4.256 6.339 ( -1.158 0.000 -0.112) 1.163 6.392 ( -10.048 0.000 5.843) 11.624 6.400 ( -5.734 0.000 -6.263) 8.492 6.662 ( 5.603 0.000 -0.271) 5.610 6.747 ( -0.744 0.000 1.427) 1.609 6.807 ( 1.157 0.000 -0.043) 1.158 6.835 ( 4.801 0.000 -7.484) 8.891 6.859 ( -8.030 0.000 8.793) 11.908 6.905 ( -9.813 0.000 -2.568) 10.143 6.932 ( 1.732 0.000 1.779) 2.483 7.115 ( -0.568 0.000 -3.310) 3.359 7.189 ( -4.873 0.000 -3.900) 6.241 7.221 ( -10.789 0.000 1.081) 10.843 7.303 ( 4.610 0.000 4.016) 6.114 7.371 ( 1.758 0.000 -2.520) 3.072 7.384 ( 0.678 0.000 3.056) 3.131 7.466 ( 4.458 0.000 3.111) 5.436 7.523 ( 6.993 0.000 -2.788) 7.529 7.549 ( 4.245 0.000 -5.650) 7.067 7.592 ( 5.985 0.000 -2.208) 6.380 7.601 ( 3.781 0.000 0.249) 3.790 7.661 ( -3.642 0.000 6.693) 7.620 7.661 ( -5.763 0.000 -5.216) 7.773 7.771 ( -2.078 0.000 2.676) 3.388 7.830 ( 1.044 0.000 2.923) 3.104 7.904 ( -5.323 0.000 -2.734) 5.984 7.935 ( -7.114 0.000 3.542) 7.947 7.960 ( 0.429 0.000 -3.392) 3.419 8.020 ( 0.701 0.000 -1.209) 1.398 8.050 ( -5.234 0.000 -0.992) 5.327 8.110 ( 4.420 0.000 4.099) 6.028 8.191 ( -3.371 0.000 -1.583) 3.725 8.206 ( -0.375 0.000 1.819) 1.857 8.320 ( 6.973 0.000 -2.759) 7.499 8.349 ( 0.774 0.000 -9.408) 9.440 8.511 ( 3.253 0.000 1.115) 3.439 8.565 ( 10.191 0.000 -2.743) 10.554 8.586 ( -6.385 0.000 0.543) 6.408 8.654 ( 2.601 0.000 7.390) 7.834 8.767 ( -1.342 0.000 0.988) 1.667 8.828 ( -13.209 0.000 -1.685) 13.316 8.856 ( 3.016 0.000 3.491) 4.613 8.863 ( 0.130 0.000 -0.070) 0.147 8.901 ( -10.206 0.000 4.987) 11.360 9.011 ( 2.223 0.000 -1.708) 2.803 9.107 ( 4.865 0.000 -8.421) 9.726 9.155 ( -2.741 0.000 4.098) 4.930 9.393 ( -10.288 0.000 -0.743) 10.315 9.394 ( -4.343 0.000 1.341) 4.545 9.552 ( -6.756 0.000 1.411) 6.902 9.656 ( -4.892 0.000 -1.732) 5.190 9.685 ( -1.402 0.000 -1.767) 2.255 9.730 ( 1.042 0.000 -3.792) 3.932 9.753 ( -2.191 0.000 7.086) 7.417 10.046 ( 0.157 0.000 2.768) 2.773 10.071 ( 1.534 0.000 8.974) 9.104 10.230 ( 1.891 0.000 4.896) 5.248 10.308 ( 2.466 0.000 1.455) 2.863 10.346 ( 0.089 0.000 3.769) 3.770 10.389 ( 2.408 0.000 -0.184) 2.415 10.541 ( 3.153 0.000 -6.649) 7.359 10.588 ( 6.631 0.000 -1.564) 6.813 10.711 ( 10.035 0.000 -1.439) 10.138 10.836 ( -1.353 0.000 2.943) 3.239 10.938 ( -5.843 0.000 5.613) 8.102 10.944 ( 1.388 0.000 5.638) 5.806 11.300 ( -6.087 0.000 -1.693) 6.318 11.348 ( 0.435 0.000 2.814) 2.847 11.446 ( -4.779 0.000 0.530) 4.809 11.665 ( -1.817 0.000 -6.013) 6.282 12.222 ( 3.830 0.000 -13.384) 13.921 12.258 ( -5.256 0.000 -1.401) 5.439 12.444 ( -5.553 0.000 -4.669) 7.255 12.483 ( -2.406 0.000 -0.671) 2.497 12.499 ( 3.331 0.000 -3.800) 5.053 13.968 ( 1.241 0.000 0.754) 1.452 14.015 ( 4.604 0.000 -1.847) 4.961 14.212 ( 2.191 0.000 0.852) 2.351 14.259 ( -1.157 0.000 -0.726) 1.366 14.330 ( 7.753 0.000 -0.603) 7.777 14.479 ( 3.790 0.000 3.857) 5.408 14.516 ( 4.925 0.000 -2.914) 5.722 14.694 ( 4.484 0.000 -4.786) 6.558 14.776 ( 2.005 0.000 -0.017) 2.005 14.939 ( 6.643 0.000 -5.886) 8.875 15.024 ( 4.057 0.000 9.174) 10.031 15.148 ( 3.145 0.000 2.178) 3.825 15.149 ( 6.334 0.000 -1.042) 6.419 15.324 ( -5.106 0.000 5.510) 7.512 15.434 ( 2.564 0.000 12.638) 12.895 15.672 ( -0.366 0.000 3.142) 3.163 15.767 ( 1.393 0.000 -4.722) 4.923 15.999 ( 1.902 0.000 -7.749) 7.980 16.050 ( 0.673 0.000 -2.853) 2.931 16.167 ( -0.551 0.000 -1.092) 1.224 18.368 ( -6.617 0.000 0.585) 6.643 18.371 ( -4.730 0.000 -0.982) 4.831 18.508 ( -2.722 0.000 0.338) 2.743 18.656 ( -1.924 0.000 -0.549) 2.001 24.628 ( 0.885 0.000 0.957) 1.304 24.808 ( 0.576 0.000 -1.443) 1.554 24.983 ( 1.880 0.000 5.115) 5.449 25.435 ( 9.625 0.000 -3.920) 10.393 26.435 ( -0.533 0.000 1.427) 1.524 26.590 ( -0.292 0.000 -1.537) 1.564 26.641 ( -1.388 0.000 4.387) 4.602 26.711 ( -0.459 0.000 -0.178) 0.492 27.807 ( 0.421 0.000 1.221) 1.292 27.834 ( 0.442 0.000 0.041) 0.443 27.904 ( -0.723 0.000 1.096) 1.313 27.986 ( -0.091 0.000 -0.433) 0.442 28.471 ( 2.307 0.000 -6.955) 7.327 28.792 ( -0.273 0.000 2.462) 2.477 28.801 ( 13.724 0.000 0.704) 13.742 28.995 ( -11.251 0.000 -4.388) 12.076 29.078 ( -0.542 0.000 -1.455) 1.553 29.091 ( -7.046 0.000 3.730) 7.972 29.292 ( 3.505 0.000 -0.496) 3.540 29.478 ( -2.124 0.000 7.991) 8.268 29.642 ( 5.315 0.000 -0.678) 5.358 29.784 ( 5.087 0.000 -4.791) 6.988 29.959 ( -8.142 0.000 -2.115) 8.412 30.043 ( -11.837 0.000 4.396) 12.627 30.169 ( 0.141 0.000 1.756) 1.762 30.301 ( 3.415 0.000 -1.794) 3.857 30.787 ( -5.574 0.000 -0.304) 5.582 30.814 ( 1.451 0.000 -2.833) 3.183 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -2.566 0.000 -6.344) 6.843 1.964 ( -3.819 0.000 -2.510) 4.570 2.278 ( -2.292 0.000 6.279) 6.685 2.349 ( -11.823 0.000 18.586) 22.028 2.381 ( -4.839 0.000 -3.782) 6.141 2.583 ( -1.847 0.000 5.161) 5.481 2.619 ( 3.924 0.000 -0.455) 3.950 2.739 ( 12.235 0.000 12.323) 17.365 2.747 ( -0.129 0.000 -6.882) 6.883 2.942 ( 3.100 0.000 -2.535) 4.004 2.978 ( 8.264 0.000 -12.242) 14.770 3.306 ( 11.756 0.000 8.433) 14.468 3.357 ( 3.774 0.000 -4.154) 5.612 3.399 ( -0.342 0.000 -0.849) 0.915 3.578 ( 4.512 0.000 -0.151) 4.515 3.599 ( -16.567 0.000 -5.745) 17.535 3.711 ( 0.019 0.000 -4.003) 4.003 3.757 ( 10.951 0.000 3.322) 11.443 3.785 ( 13.242 0.000 2.728) 13.520 3.828 ( 1.920 0.000 -2.913) 3.489 3.966 ( -0.736 0.000 6.664) 6.704 4.101 ( 3.919 0.000 -7.978) 8.889 4.146 ( -0.367 0.000 3.295) 3.315 4.156 ( -16.844 0.000 -6.554) 18.074 4.238 ( 4.524 0.000 0.284) 4.533 4.305 ( -7.978 0.000 -0.297) 7.983 4.370 ( -1.787 0.000 -1.321) 2.223 4.434 ( -0.572 0.000 0.809) 0.991 4.523 ( -10.213 0.000 10.642) 14.750 4.562 ( -0.031 0.000 1.599) 1.599 4.684 ( -4.918 0.000 0.669) 4.963 4.741 ( -9.409 0.000 1.723) 9.565 4.865 ( -4.532 0.000 -17.228) 17.815 4.882 ( 0.006 0.000 7.037) 7.037 4.919 ( -5.470 0.000 -9.746) 11.176 4.992 ( 4.817 0.000 8.497) 9.768 5.203 ( 4.046 0.000 0.849) 4.134 5.306 ( -1.770 0.000 -1.103) 2.085 5.395 ( -7.988 0.000 -6.514) 10.307 5.496 ( 4.859 0.000 21.076) 21.629 5.538 ( 4.345 0.000 7.046) 8.278 5.561 ( 6.681 0.000 -10.672) 12.591 5.630 ( -14.082 0.000 -1.792) 14.195 5.705 ( -6.943 0.000 4.614) 8.336 5.731 ( 4.466 0.000 3.403) 5.615 5.781 ( -3.560 0.000 -2.701) 4.469 5.828 ( 6.227 0.000 -2.588) 6.743 5.954 ( 0.507 0.000 -1.046) 1.163 6.001 ( 2.005 0.000 -5.631) 5.977 6.124 ( 0.491 0.000 0.222) 0.539 6.183 ( 5.420 0.000 -8.177) 9.810 6.217 ( -8.434 0.000 -7.555) 11.323 6.266 ( 4.873 0.000 4.064) 6.345 6.303 ( -1.058 0.000 -4.651) 4.770 6.370 ( 1.288 0.000 14.574) 14.631 6.470 ( 10.137 0.000 10.055) 14.278 6.558 ( -7.273 0.000 -1.550) 7.436 6.694 ( -1.231 0.000 -5.021) 5.170 6.765 ( -0.088 0.000 -2.179) 2.181 6.807 ( 3.931 0.000 3.746) 5.430 6.893 ( 5.044 0.000 -4.736) 6.919 6.948 ( 0.556 0.000 -2.014) 2.089 6.967 ( -1.636 0.000 -0.862) 1.850 7.061 ( 2.848 0.000 5.310) 6.025 7.080 ( -3.435 0.000 -0.892) 3.549 7.132 ( -1.087 0.000 -0.018) 1.087 7.293 ( -1.431 0.000 -0.147) 1.438 7.314 ( -6.555 0.000 -9.374) 11.438 7.374 ( -2.080 0.000 -2.370) 3.154 7.480 ( -1.087 0.000 0.554) 1.220 7.489 ( -3.994 0.000 2.162) 4.542 7.554 ( -1.576 0.000 -0.783) 1.759 7.642 ( 8.877 0.000 -2.782) 9.303 7.650 ( 0.829 0.000 2.350) 2.492 7.727 ( -4.217 0.000 1.861) 4.610 7.745 ( 6.234 0.000 -2.549) 6.734 7.789 ( 5.005 0.000 2.288) 5.503 7.871 ( -1.789 0.000 2.447) 3.031 7.894 ( 0.473 0.000 2.378) 2.425 7.902 ( 4.172 0.000 0.163) 4.175 7.980 ( 4.767 0.000 0.222) 4.772 8.004 ( -0.087 0.000 -1.559) 1.561 8.068 ( 6.091 0.000 2.037) 6.422 8.121 ( -1.567 0.000 -0.890) 1.802 8.163 ( -1.393 0.000 2.254) 2.650 8.292 ( 3.268 0.000 -4.205) 5.326 8.349 ( 8.210 0.000 3.224) 8.820 8.351 ( -5.347 0.000 -4.012) 6.685 8.472 ( -1.278 0.000 -5.971) 6.107 8.477 ( -6.442 0.000 -0.284) 6.448 8.633 ( 7.654 0.000 0.824) 7.698 8.687 ( -0.542 0.000 -3.004) 3.053 8.746 ( -7.439 0.000 2.851) 7.967 8.754 ( -1.949 0.000 2.019) 2.806 8.820 ( 0.152 0.000 2.675) 2.679 8.863 ( 2.054 0.000 -2.884) 3.541 8.967 ( -4.734 0.000 3.912) 6.141 9.029 ( 13.832 0.000 3.574) 14.286 9.138 ( -2.193 0.000 4.965) 5.428 9.180 ( 4.184 0.000 -5.634) 7.018 9.311 ( 3.534 0.000 -2.522) 4.342 9.368 ( 1.096 0.000 -1.325) 1.720 9.457 ( -3.397 0.000 2.201) 4.048 9.596 ( 0.335 0.000 -2.622) 2.644 9.664 ( 0.809 0.000 -2.298) 2.436 9.739 ( 3.226 0.000 -4.632) 5.645 9.781 ( -0.844 0.000 8.147) 8.191 10.061 ( -0.551 0.000 2.399) 2.462 10.148 ( 1.197 0.000 7.409) 7.505 10.275 ( -1.340 0.000 5.398) 5.562 10.284 ( -4.440 0.000 1.610) 4.723 10.371 ( -2.507 0.000 1.893) 3.141 10.432 ( -1.337 0.000 4.634) 4.822 10.503 ( -1.267 0.000 -4.301) 4.484 10.625 ( -0.535 0.000 -5.199) 5.226 10.799 ( 0.229 0.000 -4.067) 4.073 10.801 ( -5.452 0.000 6.961) 8.842 10.853 ( -6.902 0.000 6.164) 9.253 11.007 ( 1.844 0.000 8.123) 8.329 11.306 ( -6.033 0.000 0.076) 6.034 11.320 ( 8.642 0.000 0.751) 8.674 11.447 ( 4.171 0.000 0.675) 4.225 11.666 ( 6.378 0.000 -6.118) 8.838 12.168 ( 0.089 0.000 -18.139) 18.139 12.276 ( 7.565 0.000 -0.255) 7.569 12.332 ( -1.160 0.000 -6.653) 6.753 12.481 ( 2.735 0.000 -0.475) 2.776 12.510 ( 1.465 0.000 -3.555) 3.845 13.952 ( -3.011 0.000 0.191) 3.017 14.029 ( -1.860 0.000 -1.274) 2.255 14.199 ( -4.777 0.000 -1.483) 5.002 14.205 ( -2.875 0.000 1.146) 3.095 14.362 ( -5.848 0.000 1.069) 5.945 14.450 ( -8.783 0.000 -4.831) 10.024 14.533 ( -1.511 0.000 2.912) 3.281 14.715 ( 0.771 0.000 -2.634) 2.744 14.717 ( -7.845 0.000 0.852) 7.891 14.991 ( 1.115 0.000 -6.491) 6.586 14.997 ( -7.564 0.000 2.554) 7.983 15.182 ( -1.960 0.000 0.732) 2.092 15.212 ( -1.921 0.000 6.876) 7.140 15.262 ( -2.877 0.000 6.979) 7.549 15.597 ( 3.205 0.000 14.025) 14.386 15.730 ( 2.314 0.000 7.298) 7.656 15.762 ( 1.272 0.000 -4.249) 4.436 15.983 ( 2.692 0.000 -10.069) 10.423 16.041 ( 1.258 0.000 -4.004) 4.197 16.135 ( -1.366 0.000 -3.119) 3.405 18.340 ( 3.987 0.000 -0.501) 4.018 18.396 ( 7.444 0.000 0.080) 7.445 18.547 ( 5.286 0.000 2.051) 5.670 18.664 ( 3.237 0.000 -1.534) 3.582 24.661 ( 1.105 0.000 2.328) 2.576 24.778 ( -2.051 0.000 -2.671) 3.368 25.024 ( -1.898 0.000 6.351) 6.629 25.576 ( 7.103 0.000 -2.042) 7.391 26.446 ( 0.425 0.000 1.843) 1.892 26.579 ( 0.452 0.000 -2.039) 2.088 26.639 ( -1.789 0.000 4.096) 4.470 26.708 ( 0.259 0.000 0.102) 0.279 27.834 ( 1.156 0.000 2.257) 2.535 27.837 ( -0.147 0.000 -0.023) 0.149 27.902 ( -0.284 0.000 1.251) 1.282 27.976 ( -0.443 0.000 -0.656) 0.792 28.444 ( -0.112 0.000 -5.906) 5.907 28.714 ( -12.224 0.000 -4.682) 13.090 28.779 ( -3.991 0.000 0.888) 4.089 28.964 ( -6.456 0.000 4.224) 7.715 29.022 ( -3.097 0.000 -3.664) 4.797 29.076 ( 11.641 0.000 0.158) 11.642 29.326 ( -1.362 0.000 2.678) 3.004 29.511 ( -10.110 0.000 -5.430) 11.476 29.513 ( -2.454 0.000 4.966) 5.539 29.872 ( 5.929 0.000 -1.598) 6.141 29.912 ( 0.087 0.000 -0.112) 0.142 30.032 ( 9.598 0.000 1.469) 9.709 30.163 ( -2.000 0.000 0.921) 2.202 30.333 ( 0.185 0.000 -0.247) 0.308 30.760 ( 4.011 0.000 -1.599) 4.318 30.837 ( 2.321 0.000 -1.665) 2.856 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -34.215 0.000 -5.954) 34.730 1.568 ( -34.678 0.000 4.590) 34.980 2.254 ( -7.433 0.000 16.122) 17.753 2.285 ( 5.908 0.000 3.497) 6.865 2.413 ( 12.061 0.000 -9.763) 15.517 2.618 ( -33.021 0.000 -0.682) 33.028 2.766 ( -2.868 0.000 0.699) 2.952 2.819 ( 14.918 0.000 -6.193) 16.153 2.881 ( -9.730 0.000 -3.139) 10.224 2.958 ( 5.299 0.000 2.045) 5.680 3.113 ( 9.402 0.000 6.927) 11.678 3.236 ( 14.814 0.000 -2.669) 15.053 3.320 ( -6.444 0.000 -3.106) 7.154 3.321 ( 1.180 0.000 0.844) 1.451 3.597 ( -7.688 0.000 -2.516) 8.089 3.630 ( 16.954 0.000 8.840) 19.120 3.726 ( -7.220 0.000 -13.399) 15.220 3.787 ( 4.945 0.000 -8.350) 9.704 3.901 ( -3.028 0.000 -7.927) 8.485 4.006 ( 2.179 0.000 2.830) 3.571 4.040 ( 13.337 0.000 -1.121) 13.385 4.092 ( 16.018 0.000 3.496) 16.395 4.158 ( 3.627 0.000 -0.405) 3.650 4.223 ( 4.831 0.000 4.475) 6.586 4.245 ( -8.073 0.000 9.225) 12.259 4.294 ( 9.323 0.000 3.182) 9.851 4.373 ( 7.673 0.000 -7.464) 10.704 4.485 ( -6.739 0.000 8.535) 10.875 4.487 ( -0.385 0.000 4.345) 4.362 4.566 ( 3.885 0.000 8.229) 9.100 4.600 ( -8.037 0.000 -13.506) 15.716 4.670 ( 2.286 0.000 3.109) 3.859 4.738 ( 6.261 0.000 0.827) 6.315 4.845 ( 2.862 0.000 -7.279) 7.821 4.898 ( -2.742 0.000 7.913) 8.375 5.012 ( -7.920 0.000 -3.846) 8.804 5.161 ( -20.565 0.000 -2.942) 20.775 5.202 ( -7.334 0.000 1.572) 7.501 5.228 ( -12.121 0.000 5.660) 13.378 5.258 ( -0.379 0.000 2.876) 2.901 5.475 ( -9.633 0.000 3.001) 10.090 5.502 ( -9.877 0.000 -5.622) 11.365 5.699 ( -2.218 0.000 15.670) 15.827 5.701 ( 0.804 0.000 -12.176) 12.203 5.747 ( 1.897 0.000 1.999) 2.756 5.754 ( -10.954 0.000 -14.917) 18.507 5.842 ( 11.113 0.000 6.166) 12.709 5.857 ( -1.924 0.000 3.531) 4.021 6.002 ( 0.144 0.000 4.097) 4.100 6.107 ( 7.239 0.000 -10.211) 12.517 6.208 ( 7.878 0.000 4.923) 9.289 6.221 ( -0.487 0.000 -2.428) 2.476 6.340 ( 2.098 0.000 1.870) 2.810 6.353 ( 6.644 0.000 2.667) 7.160 6.486 ( 2.389 0.000 9.515) 9.810 6.571 ( 2.673 0.000 -5.870) 6.450 6.679 ( 4.357 0.000 -0.175) 4.360 6.699 ( 8.035 0.000 1.975) 8.274 6.763 ( -2.640 0.000 -7.463) 7.917 6.763 ( -5.953 0.000 -5.186) 7.895 6.846 ( -4.802 0.000 4.740) 6.747 6.921 ( -0.589 0.000 -0.720) 0.930 7.018 ( -3.490 0.000 -0.449) 3.519 7.069 ( -3.331 0.000 -3.917) 5.142 7.087 ( 0.649 0.000 3.745) 3.801 7.142 ( 3.369 0.000 -1.731) 3.788 7.162 ( 1.598 0.000 1.804) 2.410 7.299 ( 0.391 0.000 0.221) 0.449 7.398 ( 3.565 0.000 -1.824) 4.005 7.407 ( -4.080 0.000 2.779) 4.937 7.507 ( -1.521 0.000 -2.178) 2.657 7.533 ( -0.410 0.000 2.461) 2.495 7.611 ( -6.178 0.000 -1.479) 6.353 7.711 ( 5.269 0.000 0.244) 5.274 7.744 ( 2.567 0.000 -4.605) 5.272 7.808 ( -4.543 0.000 -4.496) 6.391 7.836 ( 3.421 0.000 3.888) 5.178 7.842 ( -2.812 0.000 3.108) 4.192 7.882 ( 0.901 0.000 -6.531) 6.593 7.894 ( 2.841 0.000 1.990) 3.469 7.980 ( -3.945 0.000 -1.768) 4.323 8.074 ( -1.586 0.000 -3.938) 4.246 8.128 ( -0.856 0.000 -2.057) 2.228 8.144 ( 3.144 0.000 2.282) 3.884 8.171 ( 0.856 0.000 2.944) 3.066 8.275 ( 3.566 0.000 2.706) 4.476 8.382 ( -1.940 0.000 0.563) 2.021 8.396 ( 7.561 0.000 2.308) 7.905 8.496 ( 4.213 0.000 -8.166) 9.189 8.515 ( 4.022 0.000 2.371) 4.669 8.680 ( 0.152 0.000 -3.254) 3.257 8.688 ( 3.183 0.000 -4.083) 5.177 8.690 ( 1.802 0.000 -0.079) 1.804 8.770 ( -4.317 0.000 2.739) 5.113 8.818 ( 5.247 0.000 -0.291) 5.255 8.910 ( -5.838 0.000 8.376) 10.210 8.971 ( 10.163 0.000 2.445) 10.453 9.124 ( -2.133 0.000 2.396) 3.208 9.155 ( -0.727 0.000 -7.934) 7.967 9.222 ( 3.047 0.000 -3.340) 4.521 9.405 ( 3.366 0.000 -1.149) 3.556 9.481 ( 3.034 0.000 7.433) 8.029 9.526 ( 16.777 0.000 4.652) 17.410 9.623 ( 3.583 0.000 -1.870) 4.042 9.687 ( 2.140 0.000 0.293) 2.160 9.820 ( 9.083 0.000 -4.961) 10.350 9.824 ( -0.891 0.000 9.755) 9.796 10.060 ( -1.336 0.000 1.640) 2.115 10.180 ( -5.645 0.000 2.833) 6.316 10.207 ( 1.194 0.000 1.907) 2.250 10.227 ( -7.474 0.000 2.782) 7.975 10.293 ( -4.278 0.000 -0.550) 4.313 10.408 ( -3.652 0.000 7.403) 8.254 10.487 ( -0.134 0.000 3.340) 3.342 10.557 ( 0.533 0.000 -7.909) 7.927 10.704 ( -6.363 0.000 4.085) 7.561 10.728 ( -7.809 0.000 8.275) 11.378 10.795 ( -0.146 0.000 -7.476) 7.478 11.132 ( 5.215 0.000 5.862) 7.846 11.181 ( -6.899 0.000 6.009) 9.149 11.540 ( 11.494 0.000 -0.122) 11.495 11.566 ( 6.555 0.000 0.996) 6.631 11.782 ( 5.001 0.000 -11.197) 12.263 11.925 ( -6.368 0.000 -14.823) 16.133 12.368 ( 7.495 0.000 -3.760) 8.385 12.450 ( 7.613 0.000 0.052) 7.614 12.553 ( 5.464 0.000 -2.599) 6.051 12.613 ( 12.202 0.000 0.135) 12.203 13.851 ( -8.616 0.000 -0.916) 8.664 13.912 ( -10.913 0.000 0.636) 10.932 13.993 ( -17.784 0.000 -2.398) 17.945 14.105 ( -14.547 0.000 2.103) 14.698 14.153 ( -16.059 0.000 -3.653) 16.469 14.187 ( -4.526 0.000 0.057) 4.526 14.390 ( -12.081 0.000 1.292) 12.150 14.637 ( -2.290 0.000 4.102) 4.697 14.675 ( -3.715 0.000 -1.654) 4.066 14.793 ( -12.451 0.000 0.293) 12.454 14.858 ( -9.943 0.000 -3.559) 10.561 15.141 ( -1.578 0.000 1.280) 2.032 15.234 ( 1.082 0.000 3.268) 3.442 15.338 ( 4.029 0.000 6.470) 7.622 15.673 ( -0.869 0.000 -5.249) 5.321 15.771 ( 2.214 0.000 -2.312) 3.201 15.819 ( 0.597 0.000 6.041) 6.070 16.003 ( 4.949 0.000 -0.954) 5.040 16.009 ( -2.882 0.000 -4.281) 5.161 16.114 ( 2.839 0.000 -3.950) 4.865 18.490 ( 10.821 0.000 -0.493) 10.832 18.608 ( 12.825 0.000 0.086) 12.826 18.698 ( 8.102 0.000 1.997) 8.344 18.741 ( 5.931 0.000 -3.305) 6.789 24.691 ( 0.216 0.000 2.368) 2.378 24.707 ( -2.987 0.000 -2.678) 4.012 24.995 ( -4.771 0.000 4.787) 6.758 25.657 ( 3.926 0.000 -9.421) 10.207 26.471 ( 0.691 0.000 1.764) 1.895 26.582 ( 1.425 0.000 -2.282) 2.690 26.626 ( -2.062 0.000 2.906) 3.563 26.720 ( 0.632 0.000 0.573) 0.853 27.827 ( -0.779 0.000 -0.030) 0.780 27.876 ( 1.545 0.000 1.363) 2.060 27.910 ( 0.248 0.000 1.291) 1.314 27.963 ( -0.357 0.000 -1.240) 1.290 28.422 ( -0.635 0.000 5.797) 5.832 28.481 ( -9.188 0.000 -2.804) 9.606 28.647 ( -7.504 0.000 0.064) 7.504 28.929 ( -1.866 0.000 5.203) 5.527 28.934 ( -3.246 0.000 -2.235) 3.941 29.105 ( -6.744 0.000 -6.179) 9.147 29.298 ( -3.896 0.000 3.492) 5.232 29.411 ( -8.017 0.000 3.132) 8.607 29.469 ( 8.654 0.000 0.218) 8.657 29.970 ( 3.187 0.000 -0.415) 3.214 30.033 ( 8.442 0.000 -1.783) 8.629 30.120 ( -1.495 0.000 0.953) 1.773 30.169 ( 3.412 0.000 -0.377) 3.433 30.322 ( 0.613 0.000 0.128) 0.627 30.882 ( 2.969 0.000 1.216) 3.208 30.910 ( 11.668 0.000 -2.277) 11.888 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -32.493 0.000 8.992) 33.714 0.958 ( -34.177 0.000 22.279) 40.797 1.589 ( -59.581 0.000 30.640) 66.998 2.307 ( -1.748 0.000 12.932) 13.050 2.360 ( 4.511 0.000 -8.279) 9.428 2.687 ( 17.816 0.000 -6.442) 18.944 2.831 ( -0.080 0.000 -2.427) 2.429 2.890 ( 6.054 0.000 1.339) 6.201 2.938 ( 2.383 0.000 -0.961) 2.569 3.057 ( -8.090 0.000 -9.191) 12.244 3.203 ( 6.769 0.000 1.974) 7.051 3.236 ( -3.183 0.000 0.502) 3.222 3.262 ( 8.415 0.000 -1.843) 8.614 3.380 ( 0.816 0.000 -5.038) 5.104 3.465 ( -5.423 0.000 -13.076) 14.155 3.609 ( 0.030 0.000 -7.022) 7.022 3.730 ( -0.733 0.000 -7.069) 7.107 3.854 ( -4.422 0.000 -4.311) 6.176 3.936 ( -5.683 0.000 0.567) 5.712 3.962 ( 12.482 0.000 0.074) 12.482 4.049 ( -3.928 0.000 6.338) 7.456 4.223 ( 2.400 0.000 -6.926) 7.330 4.260 ( -0.933 0.000 2.407) 2.582 4.284 ( -5.321 0.000 -6.273) 8.225 4.297 ( 6.544 0.000 2.976) 7.189 4.443 ( 6.820 0.000 2.086) 7.132 4.537 ( 4.328 0.000 8.411) 9.459 4.548 ( 9.832 0.000 -3.906) 10.579 4.596 ( 6.387 0.000 -2.469) 6.848 4.630 ( 3.297 0.000 8.306) 8.936 4.681 ( 5.835 0.000 2.641) 6.405 4.719 ( 3.804 0.000 3.510) 5.176 4.757 ( -0.739 0.000 -3.389) 3.468 4.786 ( -5.653 0.000 -5.740) 8.056 4.887 ( -5.429 0.000 5.578) 7.783 4.912 ( 2.624 0.000 3.020) 4.001 4.958 ( -8.830 0.000 -1.552) 8.965 4.985 ( -0.022 0.000 8.153) 8.153 5.129 ( -3.433 0.000 5.729) 6.679 5.168 ( -10.475 0.000 3.889) 11.174 5.295 ( -8.822 0.000 -8.665) 12.366 5.419 ( -0.893 0.000 7.609) 7.661 5.484 ( -0.198 0.000 -6.020) 6.023 5.617 ( -0.563 0.000 -11.730) 11.743 5.748 ( 1.577 0.000 9.320) 9.453 5.818 ( 0.099 0.000 3.133) 3.135 5.862 ( -0.575 0.000 0.224) 0.617 6.038 ( 3.401 0.000 3.638) 4.980 6.125 ( 7.544 0.000 4.876) 8.983 6.148 ( 0.261 0.000 -7.116) 7.121 6.241 ( 6.333 0.000 -3.632) 7.300 6.262 ( -1.093 0.000 -6.815) 6.902 6.445 ( -11.001 0.000 0.301) 11.005 6.483 ( 2.004 0.000 -0.838) 2.172 6.495 ( 1.524 0.000 4.641) 4.885 6.570 ( 10.060 0.000 5.927) 11.677 6.643 ( -0.428 0.000 -1.506) 1.566 6.700 ( 2.888 0.000 -0.952) 3.041 6.785 ( 2.586 0.000 -2.912) 3.895 6.833 ( 4.878 0.000 -0.972) 4.974 6.866 ( 3.714 0.000 5.587) 6.709 6.877 ( -3.504 0.000 -0.083) 3.505 6.942 ( -0.473 0.000 9.375) 9.387 7.059 ( 5.192 0.000 -1.440) 5.388 7.078 ( -7.773 0.000 -0.997) 7.837 7.129 ( -8.048 0.000 -0.201) 8.050 7.180 ( 3.272 0.000 1.999) 3.834 7.222 ( -4.389 0.000 -0.467) 4.414 7.378 ( -3.915 0.000 -2.024) 4.407 7.427 ( -3.840 0.000 -0.978) 3.962 7.463 ( 0.465 0.000 0.983) 1.087 7.481 ( 1.237 0.000 -6.569) 6.684 7.543 ( 1.181 0.000 1.315) 1.767 7.718 ( 0.959 0.000 -5.423) 5.507 7.734 ( -9.926 0.000 0.365) 9.933 7.764 ( -3.720 0.000 -5.571) 6.699 7.776 ( -2.993 0.000 -5.443) 6.212 7.845 ( -1.155 0.000 2.416) 2.678 7.854 ( 0.420 0.000 4.378) 4.398 7.943 ( -1.894 0.000 -1.046) 2.164 7.983 ( 6.831 0.000 0.606) 6.858 8.050 ( -3.608 0.000 -0.707) 3.677 8.117 ( -2.128 0.000 -3.308) 3.934 8.133 ( 8.200 0.000 -0.038) 8.200 8.202 ( 0.034 0.000 -0.351) 0.353 8.315 ( -1.713 0.000 -2.111) 2.718 8.381 ( 2.286 0.000 -4.245) 4.821 8.481 ( -4.284 0.000 5.365) 6.866 8.502 ( 0.990 0.000 -8.721) 8.777 8.606 ( 7.070 0.000 3.409) 7.849 8.671 ( -0.344 0.000 -0.306) 0.460 8.723 ( 3.932 0.000 -12.917) 13.502 8.734 ( 2.204 0.000 -5.500) 5.925 8.806 ( -5.241 0.000 4.991) 7.237 8.838 ( 2.893 0.000 11.528) 11.886 8.934 ( 5.795 0.000 3.645) 6.846 9.093 ( -0.880 0.000 0.442) 0.985 9.108 ( 4.277 0.000 -0.350) 4.291 9.189 ( 7.432 0.000 4.354) 8.613 9.243 ( 2.114 0.000 8.987) 9.232 9.479 ( 3.822 0.000 1.964) 4.297 9.631 ( 5.197 0.000 7.856) 9.419 9.676 ( 2.195 0.000 -1.417) 2.613 9.729 ( 0.187 0.000 2.721) 2.728 9.790 ( 6.177 0.000 -2.234) 6.569 9.868 ( -0.475 0.000 6.711) 6.728 9.967 ( 6.783 0.000 -1.048) 6.864 10.009 ( -0.673 0.000 -1.219) 1.393 10.054 ( -10.561 0.000 3.667) 11.179 10.213 ( -3.442 0.000 0.486) 3.476 10.266 ( 1.266 0.000 5.571) 5.713 10.319 ( 11.642 0.000 9.084) 14.767 10.382 ( -0.084 0.000 0.922) 0.926 10.533 ( -1.657 0.000 -7.061) 7.252 10.561 ( 2.387 0.000 12.474) 12.701 10.673 ( 0.407 0.000 4.932) 4.948 10.747 ( 2.593 0.000 -9.775) 10.113 10.766 ( 18.506 0.000 7.626) 20.015 11.105 ( -5.759 0.000 7.834) 9.723 11.293 ( 5.091 0.000 7.135) 8.765 11.390 ( -15.833 0.000 -18.481) 24.336 11.682 ( 4.245 0.000 1.779) 4.602 11.754 ( 6.455 0.000 2.205) 6.821 12.035 ( 11.532 0.000 -6.664) 13.319 12.510 ( 7.566 0.000 -0.797) 7.607 12.564 ( 5.179 0.000 -0.438) 5.198 12.671 ( 7.642 0.000 -1.363) 7.762 12.871 ( 11.779 0.000 0.308) 11.783 13.544 ( -18.077 0.000 -3.115) 18.343 13.559 ( -22.331 0.000 -0.953) 22.351 13.581 ( -22.042 0.000 2.453) 22.178 13.866 ( -8.520 0.000 -1.660) 8.680 13.949 ( -4.673 0.000 2.616) 5.355 14.145 ( -2.471 0.000 1.215) 2.753 14.191 ( -8.955 0.000 -1.640) 9.104 14.556 ( -8.385 0.000 -4.954) 9.739 14.567 ( -5.422 0.000 0.780) 5.477 14.638 ( -9.852 0.000 -1.068) 9.909 14.666 ( -1.868 0.000 1.204) 2.222 15.136 ( -2.511 0.000 -4.504) 5.157 15.260 ( -32.029 0.000 -44.614) 54.921 15.273 ( 1.345 0.000 -0.362) 1.392 15.440 ( 0.912 0.000 5.471) 5.546 15.812 ( 2.660 0.000 -0.644) 2.736 15.858 ( 0.828 0.000 2.406) 2.544 15.910 ( -3.148 0.000 -4.315) 5.341 16.112 ( 2.999 0.000 2.776) 4.087 16.159 ( 3.412 0.000 -2.483) 4.220 18.690 ( 8.976 0.000 0.312) 8.982 18.814 ( 7.441 0.000 -1.086) 7.519 18.830 ( 5.634 0.000 -2.496) 6.162 18.855 ( 6.714 0.000 1.648) 6.914 24.648 ( -1.418 0.000 -1.338) 1.949 24.696 ( -0.986 0.000 1.113) 1.487 24.923 ( -4.715 0.000 1.943) 5.100 25.433 ( -18.533 0.000 -36.512) 40.946 26.484 ( -0.445 0.000 1.336) 1.408 26.599 ( 1.761 0.000 -2.157) 2.785 26.604 ( -1.699 0.000 2.603) 3.108 26.736 ( 0.404 0.000 0.760) 0.861 27.812 ( -0.737 0.000 -0.051) 0.739 27.890 ( -0.512 0.000 -2.794) 2.840 27.921 ( -2.140 0.000 -1.946) 2.892 27.924 ( 0.172 0.000 1.207) 1.219 28.335 ( -4.807 0.000 -0.702) 4.858 28.408 ( -5.492 0.000 0.540) 5.518 28.809 ( 14.268 0.000 21.157) 25.519 28.883 ( -1.317 0.000 -0.346) 1.361 28.947 ( -3.756 0.000 -4.185) 5.623 28.974 ( 6.629 0.000 18.451) 19.606 29.225 ( -1.540 0.000 8.842) 8.975 29.349 ( -0.442 0.000 4.437) 4.459 29.642 ( 7.626 0.000 -1.862) 7.850 29.979 ( -0.772 0.000 -0.590) 0.971 30.038 ( -2.496 0.000 0.505) 2.547 30.146 ( -4.088 0.000 0.955) 4.198 30.197 ( 2.951 0.000 -2.473) 3.850 30.393 ( 5.690 0.000 -3.160) 6.509 31.015 ( 9.952 0.000 8.669) 13.198 31.110 ( 9.260 0.000 -1.273) 9.347 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.392 22.202 19.585) 29.608 1.140 ( 4.815 29.895 27.001) 40.570 1.842 ( 1.356 47.705 32.230) 57.588 2.162 ( -1.874 -7.678 -5.327) 9.531 2.406 ( 0.733 -19.139 12.481) 22.861 2.612 ( -0.993 8.848 12.801) 15.593 2.804 ( 1.449 -4.226 -11.496) 12.334 2.868 ( -0.678 -5.213 -8.196) 9.737 2.939 ( -3.046 -0.475 -1.399) 3.385 3.026 ( 3.907 -6.125 -2.315) 7.625 3.159 ( 5.798 2.917 1.137) 6.589 3.238 ( 1.938 -15.390 -1.247) 15.561 3.351 ( -2.297 2.787 -9.954) 10.589 3.435 ( 9.218 -0.714 -2.822) 9.666 3.581 ( 9.029 3.036 1.703) 9.677 3.640 ( 2.162 8.113 -2.628) 8.797 3.653 ( 4.391 7.953 2.649) 9.463 3.793 ( -8.591 1.496 -2.736) 9.140 3.862 ( -5.353 3.420 -0.313) 6.360 3.927 ( -11.207 -2.472 -6.776) 13.327 4.019 ( 4.722 -4.203 -10.224) 12.021 4.090 ( -2.309 0.954 -5.740) 6.260 4.177 ( -1.044 -2.458 4.394) 5.142 4.280 ( -4.075 -2.589 -1.443) 5.039 4.380 ( -1.132 3.239 -4.374) 5.559 4.433 ( -4.928 -6.680 -2.313) 8.618 4.446 ( -4.540 0.310 -3.046) 5.476 4.510 ( -3.183 0.469 -0.811) 3.318 4.583 ( 2.258 0.137 2.927) 3.699 4.625 ( 1.729 -1.473 -6.584) 6.964 4.678 ( 0.571 -0.066 2.377) 2.446 4.697 ( 2.002 -2.413 -0.121) 3.138 4.771 ( -2.125 5.920 0.755) 6.334 4.877 ( 5.106 -3.226 1.477) 6.218 4.926 ( -9.843 1.582 -0.393) 9.977 4.964 ( -5.091 0.106 0.931) 5.176 5.007 ( -2.079 1.566 8.775) 9.153 5.098 ( 10.688 -3.105 4.239) 11.910 5.108 ( 3.450 -4.528 3.995) 6.955 5.204 ( -1.651 5.478 8.605) 10.334 5.276 ( 4.125 -4.382 3.259) 6.844 5.388 ( 5.049 -8.426 5.233) 11.130 5.408 ( -4.258 -0.887 10.581) 11.440 5.591 ( 1.997 1.678 -9.431) 9.785 5.688 ( -0.244 -4.080 -1.511) 4.357 5.707 ( -6.963 -1.287 3.083) 7.723 5.791 ( 0.272 -2.226 -4.581) 5.100 5.902 ( 1.350 -3.816 -2.823) 4.935 6.002 ( 2.397 -11.412 -5.743) 12.999 6.148 ( -1.380 -5.055 2.966) 6.022 6.276 ( -2.892 4.423 -6.017) 8.008 6.330 ( 2.695 3.946 -3.296) 5.805 6.375 ( 0.749 -7.908 -0.162) 7.945 6.445 ( 1.666 1.046 1.053) 2.232 6.528 ( -0.338 -5.332 0.434) 5.360 6.558 ( 0.654 1.493 0.348) 1.667 6.669 ( 0.914 -2.640 2.249) 3.587 6.722 ( -4.107 -5.605 -5.499) 8.861 6.788 ( 0.448 4.146 3.938) 5.736 6.809 ( 1.637 -1.301 -1.174) 2.398 6.935 ( 0.280 -1.441 -3.583) 3.872 6.946 ( -4.256 3.127 -3.820) 6.518 6.995 ( 1.188 3.560 -0.391) 3.773 7.056 ( -0.047 3.020 8.736) 9.243 7.116 ( 0.320 1.011 6.997) 7.077 7.162 ( -0.031 -0.429 -3.024) 3.054 7.215 ( -1.951 -0.385 -1.772) 2.664 7.264 ( -0.238 -1.519 1.395) 2.076 7.340 ( 6.552 8.295 2.388) 10.837 7.378 ( -2.756 0.263 -2.224) 3.551 7.413 ( 0.574 -2.630 1.579) 3.121 7.511 ( 4.568 2.253 -1.807) 5.404 7.549 ( 4.884 -1.273 1.691) 5.323 7.589 ( 0.647 -3.091 -1.477) 3.487 7.617 ( -3.837 -0.216 1.663) 4.187 7.704 ( -0.569 2.763 4.987) 5.730 7.786 ( -3.418 3.319 -4.142) 6.313 7.874 ( 0.970 0.233 6.817) 6.890 7.917 ( -1.872 -0.226 -0.978) 2.124 7.955 ( -2.265 2.125 -2.695) 4.112 8.025 ( -2.224 4.447 -1.246) 5.126 8.115 ( 3.420 0.404 -3.369) 4.818 8.157 ( 3.414 6.686 -5.756) 9.460 8.199 ( -1.508 5.949 -3.679) 7.155 8.297 ( 0.049 1.130 -2.595) 2.830 8.378 ( 0.911 5.047 -2.667) 5.780 8.430 ( 4.467 4.854 -3.958) 7.693 8.461 ( 3.658 3.149 -7.058) 8.550 8.489 ( -4.224 4.889 0.724) 6.501 8.547 ( -1.522 -3.066 -4.814) 5.907 8.618 ( -4.074 -0.052 7.171) 8.248 8.690 ( -5.827 3.851 -0.342) 6.993 8.745 ( -0.071 2.542 2.108) 3.303 8.838 ( -0.061 2.094 3.055) 3.705 8.961 ( 1.195 -1.928 3.495) 4.166 9.001 ( -0.927 -4.591 5.128) 6.946 9.031 ( 1.163 0.001 5.142) 5.272 9.172 ( 1.794 -1.978 3.131) 4.115 9.226 ( 1.812 -4.980 3.811) 6.527 9.477 ( 1.241 -3.532 -0.523) 3.780 9.566 ( -1.245 -5.738 1.535) 6.069 9.642 ( -3.204 -5.912 5.647) 8.781 9.687 ( 1.323 -2.822 -1.285) 3.371 9.712 ( 2.533 -1.873 0.102) 3.152 9.846 ( -2.885 -1.282 5.438) 6.288 9.890 ( -1.021 1.839 2.281) 3.102 9.950 ( 3.770 2.687 -0.541) 4.662 10.054 ( 2.034 0.428 2.081) 2.941 10.116 ( -1.508 0.971 1.256) 2.190 10.149 ( 4.738 3.082 -2.713) 6.270 10.264 ( -2.301 3.875 -3.915) 5.970 10.342 ( -1.011 -3.508 -4.394) 5.712 10.390 ( -1.698 -3.235 -5.016) 6.205 10.477 ( -1.182 -1.543 1.209) 2.289 10.687 ( -1.847 1.838 -0.853) 2.741 10.757 ( 2.438 3.304 -0.096) 4.108 10.890 ( 2.701 9.962 -6.776) 12.347 10.945 ( -11.569 -6.504 6.434) 14.749 11.144 ( -2.046 -11.535 5.970) 13.149 11.261 ( 9.716 0.998 -3.754) 10.464 11.478 ( -1.879 -3.522 -1.617) 4.307 11.747 ( -2.512 -8.692 2.298) 9.335 11.869 ( 0.995 2.096 -0.283) 2.337 12.082 ( 1.820 -4.306 -4.931) 6.794 12.584 ( 0.291 -1.878 2.122) 2.849 12.653 ( 0.575 -1.377 -4.044) 4.310 12.914 ( 2.822 9.081 0.182) 9.511 13.015 ( -0.516 4.267 -2.547) 4.996 13.313 ( -1.365 0.553 0.501) 1.555 13.331 ( -2.642 0.108 0.849) 2.777 13.338 ( 4.403 0.622 0.154) 4.450 13.371 ( 4.099 -0.056 0.906) 4.198 13.897 ( -1.794 1.420 0.532) 2.349 13.933 ( -1.603 2.624 0.025) 3.075 14.076 ( -2.211 -2.524 0.162) 3.359 14.100 ( 4.542 -1.903 0.023) 4.925 14.540 ( 0.166 1.451 0.654) 1.600 14.545 ( -0.655 1.671 -0.194) 1.805 14.628 ( -0.343 -0.819 -0.397) 0.973 14.630 ( -1.067 -0.713 -0.367) 1.334 15.183 ( 0.318 2.973 1.171) 3.211 15.432 ( -2.406 -0.957 3.213) 4.126 15.457 ( -0.932 9.215 -8.183) 12.359 15.769 ( -1.132 -3.291 -3.037) 4.619 15.851 ( 0.048 -0.855 1.399) 1.640 15.921 ( 0.153 -0.953 1.444) 1.737 16.055 ( 0.210 -1.155 2.735) 2.976 16.187 ( 1.320 -1.046 -1.857) 2.507 18.793 ( 0.597 0.302 0.909) 1.128 18.870 ( 0.050 -1.172 -0.886) 1.470 18.917 ( 0.210 0.992 -0.829) 1.310 18.939 ( -0.735 0.862 -0.609) 1.286 24.659 ( 1.397 1.624 0.157) 2.148 24.692 ( -1.590 1.815 -0.796) 2.541 24.814 ( -0.965 -2.287 0.295) 2.500 24.841 ( -2.082 -1.918 -0.473) 2.870 26.492 ( -0.734 1.002 1.639) 2.056 26.593 ( -0.546 -1.323 3.321) 3.616 26.623 ( 1.111 0.734 -1.388) 1.924 26.720 ( 0.065 -2.120 0.480) 2.174 27.847 ( -0.373 4.294 0.168) 4.313 27.876 ( -1.104 4.665 -0.798) 4.859 28.005 ( 0.524 7.350 1.992) 7.633 28.190 ( 0.218 10.640 -9.330) 14.153 28.256 ( 0.522 -2.610 0.627) 2.735 28.331 ( -2.356 2.026 -2.476) 3.973 28.865 ( 0.086 -0.074 -0.271) 0.294 28.880 ( -0.388 -0.652 -1.327) 1.529 28.945 ( 3.433 0.224 1.109) 3.615 29.021 ( -2.210 -1.052 -0.870) 2.597 29.335 ( -0.011 -0.643 1.637) 1.759 29.528 ( -1.167 -10.906 -3.038) 11.382 29.946 ( 6.561 -1.253 1.250) 6.795 30.008 ( 4.954 -0.314 -0.582) 4.998 30.012 ( 10.496 -0.418 1.186) 10.571 30.066 ( -0.632 -1.117 -0.194) 1.298 30.113 ( -8.078 1.466 1.846) 8.415 30.303 ( -4.959 -10.738 -0.451) 11.836 30.933 ( -1.656 0.199 15.460) 15.550 31.395 ( 0.112 -1.528 -5.085) 5.311 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 17.871 15.133 14.268) 27.422 1.561 ( 18.773 18.314 25.296) 36.438 1.982 ( -0.931 -3.956 -13.420) 14.022 2.378 ( 7.467 1.643 9.660) 12.320 2.536 ( 8.708 9.178 9.696) 15.940 2.626 ( -3.280 9.687 8.295) 13.168 2.816 ( 1.799 -2.452 -14.702) 15.013 2.874 ( 6.238 -0.011 8.760) 10.754 2.940 ( 8.169 3.968 2.066) 9.314 3.044 ( -0.435 -7.867 2.806) 8.364 3.183 ( -1.384 4.673 -6.015) 7.741 3.281 ( 3.044 -1.884 0.813) 3.671 3.302 ( -0.463 -13.054 0.002) 13.062 3.487 ( -8.460 -0.702 -10.458) 13.470 3.556 ( -12.254 -6.377 -3.854) 14.341 3.655 ( -0.856 4.698 -3.454) 5.893 3.682 ( 6.984 5.106 3.191) 9.222 3.732 ( -1.654 3.510 0.547) 3.919 3.788 ( 0.306 -2.570 -1.781) 3.142 3.824 ( 5.206 5.075 -4.532) 8.567 3.946 ( -9.195 2.018 -1.140) 9.483 3.995 ( -7.226 -2.115 5.140) 9.116 4.116 ( -4.930 2.091 -8.921) 10.405 4.175 ( -3.863 -3.476 -1.192) 5.331 4.248 ( -2.690 -4.713 1.350) 5.592 4.352 ( -5.052 6.427 -4.173) 9.178 4.487 ( 7.856 -6.479 -3.854) 10.888 4.511 ( -2.242 -6.005 -0.494) 6.429 4.546 ( 5.405 1.882 -2.508) 6.249 4.618 ( -3.832 0.675 -1.454) 4.154 4.679 ( 2.851 7.060 0.217) 7.617 4.722 ( -0.296 1.301 3.367) 3.622 4.786 ( -1.258 3.067 6.675) 7.453 4.821 ( 4.252 4.743 -2.433) 6.819 4.868 ( -3.962 3.770 5.364) 7.660 5.031 ( 4.186 -6.292 5.033) 9.080 5.075 ( 6.193 -3.119 1.627) 7.122 5.103 ( -8.491 -5.230 0.050) 9.973 5.224 ( 2.954 -5.827 -2.621) 7.039 5.315 ( 8.374 -0.644 5.636) 10.114 5.373 ( 2.335 6.027 7.061) 9.573 5.402 ( 0.405 3.447 0.992) 3.609 5.447 ( 1.252 -4.073 3.072) 5.253 5.504 ( -0.540 -1.379 -6.525) 6.691 5.677 ( 4.951 -4.205 3.191) 7.237 5.737 ( 0.089 1.844 -11.179) 11.330 5.787 ( 5.916 -2.659 1.542) 6.667 5.886 ( -2.729 -1.550 -2.825) 4.222 6.054 ( -0.620 -2.402 -2.808) 3.747 6.115 ( 2.253 1.763 -1.986) 3.482 6.197 ( -1.098 -8.111 0.144) 8.186 6.306 ( -5.608 1.574 1.188) 5.945 6.393 ( -1.201 -7.524 3.229) 8.275 6.437 ( -0.083 3.009 -0.483) 3.049 6.471 ( -5.991 -1.942 2.133) 6.650 6.565 ( -4.805 -3.885 -1.910) 6.467 6.672 ( 6.119 0.480 0.032) 6.138 6.746 ( 1.698 0.060 -2.775) 3.254 6.802 ( -2.736 -0.704 -7.432) 7.951 6.825 ( 0.373 -3.487 2.541) 4.331 6.872 ( -4.179 0.248 2.069) 4.669 6.924 ( 5.233 -4.896 1.698) 7.364 7.000 ( 1.300 6.589 -1.648) 6.915 7.071 ( -0.850 3.784 3.332) 5.113 7.139 ( -1.937 -1.144 -3.910) 4.511 7.210 ( -1.245 -3.464 2.290) 4.335 7.233 ( 10.087 -7.075 -4.991) 13.293 7.274 ( 1.441 -0.057 4.383) 4.614 7.329 ( 1.897 -3.424 3.795) 5.452 7.381 ( -6.019 0.018 -2.098) 6.374 7.429 ( -3.637 2.320 -4.954) 6.569 7.493 ( 2.147 0.160 -1.710) 2.749 7.553 ( -2.223 -2.047 -0.125) 3.024 7.602 ( 2.894 3.431 0.580) 4.526 7.741 ( -2.335 0.479 0.880) 2.541 7.763 ( 6.923 4.791 2.181) 8.697 7.791 ( -1.246 -1.303 2.037) 2.720 7.815 ( 4.162 -0.641 3.105) 5.232 7.904 ( -2.072 3.021 2.214) 4.281 7.977 ( -0.610 2.722 -2.423) 3.695 7.995 ( 0.002 9.550 1.387) 9.650 8.095 ( -1.442 1.524 -3.249) 3.867 8.143 ( 0.790 2.092 -2.485) 3.343 8.176 ( 2.549 8.989 -3.646) 10.030 8.264 ( -2.260 -0.696 -4.542) 5.120 8.381 ( 1.825 7.066 -0.705) 7.331 8.412 ( -2.189 5.305 -0.336) 5.749 8.440 ( -2.061 2.600 -1.528) 3.653 8.486 ( -2.887 -1.462 2.114) 3.865 8.550 ( 2.350 -0.830 0.048) 2.493 8.604 ( -0.278 5.280 -1.186) 5.418 8.637 ( 4.170 5.084 -4.830) 8.159 8.714 ( -3.177 0.926 4.126) 5.289 8.848 ( -2.928 -0.811 6.169) 6.876 8.926 ( -6.705 -3.694 1.980) 7.907 8.986 ( -3.444 -1.182 3.984) 5.397 9.046 ( -2.512 0.987 3.366) 4.314 9.199 ( 0.126 1.477 -1.014) 1.796 9.241 ( -4.307 -6.128 5.344) 9.201 9.420 ( -5.328 -2.529 -4.791) 7.599 9.555 ( -5.222 -5.813 6.467) 10.143 9.588 ( -3.904 -5.408 7.125) 9.759 9.654 ( -2.820 -4.127 -2.141) 5.437 9.715 ( -2.618 -2.070 1.593) 3.698 9.771 ( -4.271 -0.395 3.653) 5.634 9.933 ( 0.424 -2.984 1.905) 3.565 9.998 ( 2.961 1.802 -0.286) 3.478 10.037 ( -5.866 2.756 -2.000) 6.782 10.129 ( 2.077 2.124 2.151) 3.667 10.183 ( -2.727 1.916 -1.026) 3.487 10.224 ( -4.033 3.024 -0.235) 5.046 10.295 ( -2.019 3.768 -4.113) 5.932 10.365 ( -0.096 -0.978 -3.716) 3.843 10.380 ( 0.297 -3.775 -6.402) 7.438 10.524 ( -18.718 -8.463 7.985) 22.039 10.610 ( -6.970 0.261 4.091) 8.086 10.788 ( 0.113 3.327 -0.953) 3.462 10.875 ( -7.919 4.573 -2.626) 9.514 10.944 ( 0.974 1.328 2.364) 2.882 11.386 ( -4.934 2.269 6.078) 8.151 11.563 ( 9.276 -8.416 -1.032) 12.567 11.642 ( -0.914 -5.094 -0.725) 5.226 11.775 ( -1.654 1.507 -0.371) 2.268 11.980 ( -7.095 -2.132 -4.130) 8.481 12.537 ( -4.267 -0.529 0.501) 4.329 12.603 ( -3.246 1.372 -3.284) 4.817 12.752 ( -11.509 2.179 0.169) 11.715 12.867 ( -10.066 4.081 0.301) 10.865 13.514 ( 18.645 1.775 -1.910) 18.827 13.661 ( 22.970 1.013 2.059) 23.084 13.720 ( 22.658 0.044 4.462) 23.093 13.861 ( 14.480 -7.577 -5.189) 17.147 13.934 ( 10.136 1.101 1.180) 10.263 14.087 ( 7.760 -1.568 -1.104) 7.993 14.193 ( 19.443 -1.275 -4.566) 20.013 14.288 ( 18.077 -1.744 -5.197) 18.890 14.566 ( 0.644 -0.136 -0.144) 0.674 14.595 ( 3.656 -1.258 -0.283) 3.877 14.660 ( 9.820 1.257 -0.743) 9.928 14.722 ( 11.353 -1.048 -3.461) 11.915 15.194 ( 0.296 1.913 1.440) 2.412 15.348 ( -3.806 7.161 -4.978) 9.515 15.421 ( -2.600 0.544 3.442) 4.347 15.737 ( -0.289 -3.775 -2.599) 4.592 15.820 ( -3.736 0.305 0.373) 3.767 15.944 ( 0.783 -3.456 1.307) 3.777 16.067 ( 0.408 0.948 -0.139) 1.042 16.184 ( -0.326 -1.227 -1.265) 1.792 18.730 ( -7.563 0.619 1.484) 7.731 18.780 ( -8.293 0.616 -2.586) 8.709 18.825 ( -9.199 -0.093 -0.786) 9.233 18.839 ( -7.244 -1.452 1.321) 7.505 24.657 ( -1.004 1.818 -1.371) 2.488 24.720 ( 4.045 1.914 0.830) 4.552 24.826 ( 1.099 -2.328 -0.960) 2.748 24.970 ( 13.252 -5.541 -3.934) 14.892 26.481 ( -1.366 1.345 1.228) 2.277 26.605 ( -0.736 -1.632 3.543) 3.970 26.626 ( 0.231 0.860 -1.252) 1.536 26.721 ( -0.365 -1.715 0.400) 1.798 27.846 ( -0.033 4.596 0.045) 4.597 27.870 ( 1.113 5.582 0.088) 5.693 28.024 ( 0.194 6.452 1.080) 6.545 28.123 ( -1.825 14.840 -4.749) 15.688 28.326 ( 5.212 -4.425 0.548) 6.859 28.335 ( 4.260 -2.176 -0.561) 4.816 28.829 ( -2.148 -0.640 -1.373) 2.628 28.902 ( 2.368 -1.423 -0.730) 2.857 29.032 ( 4.691 1.627 -1.984) 5.347 29.074 ( 7.398 -2.284 2.756) 8.219 29.342 ( -0.801 -1.738 1.556) 2.467 29.428 ( -6.331 -8.111 -0.244) 10.293 29.732 ( -16.587 1.346 8.415) 18.649 29.932 ( -6.876 -3.937 -0.635) 7.949 30.055 ( 1.817 0.758 1.290) 2.354 30.091 ( 2.114 -0.596 -0.300) 2.217 30.254 ( 0.266 -3.194 -0.161) 3.210 30.360 ( 10.542 -2.867 -6.532) 12.729 30.894 ( -10.968 0.668 11.213) 15.700 31.219 ( -12.239 1.181 -3.045) 12.667 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 19.484 8.324 4.914) 21.750 1.912 ( 3.656 5.809 -9.857) 12.012 2.103 ( 18.069 1.877 15.558) 23.917 2.365 ( -4.459 -1.888 2.165) 5.304 2.514 ( -5.272 5.147 -5.215) 9.027 2.567 ( -8.936 7.027 8.071) 13.941 2.686 ( -9.516 -6.836 -9.180) 14.885 2.841 ( -7.728 -9.077 -1.335) 11.996 3.021 ( -5.282 -6.141 3.012) 8.642 3.053 ( -5.035 -1.620 -0.777) 5.346 3.165 ( -8.115 3.173 -10.968) 14.008 3.244 ( -3.450 -4.634 0.851) 5.839 3.348 ( -4.136 -5.212 -8.421) 10.733 3.382 ( 8.137 8.050 -3.063) 11.848 3.532 ( 0.538 1.716 0.204) 1.810 3.571 ( 9.438 2.377 -2.182) 9.974 3.622 ( 3.323 0.065 -1.765) 3.763 3.691 ( -4.438 -7.887 1.652) 9.199 3.743 ( -9.769 -1.717 0.260) 9.922 3.794 ( -1.251 -0.401 -4.799) 4.976 3.973 ( -7.691 -0.171 11.647) 13.958 4.015 ( 5.864 6.355 2.698) 9.058 4.108 ( -4.284 5.720 -2.947) 7.730 4.146 ( 14.468 3.201 8.383) 17.025 4.227 ( 0.943 2.559 7.933) 8.389 4.280 ( 2.963 1.818 4.530) 5.710 4.420 ( 0.673 0.724 0.676) 1.197 4.536 ( -3.118 -2.317 6.605) 7.663 4.626 ( -0.710 2.581 -0.604) 2.744 4.630 ( 0.679 1.009 -3.193) 3.417 4.743 ( -2.215 0.270 4.373) 4.910 4.765 ( 5.002 -1.001 -4.130) 6.564 4.837 ( 6.686 -2.155 6.230) 9.389 4.882 ( 5.112 9.199 0.842) 10.558 4.981 ( 6.439 3.872 -3.379) 8.239 5.036 ( 6.323 -4.370 -1.329) 7.800 5.120 ( 1.052 -2.420 -0.551) 2.696 5.176 ( 3.883 -1.558 -0.166) 4.187 5.188 ( 0.914 3.757 -6.485) 7.550 5.419 ( 8.090 -0.543 -8.819) 11.980 5.453 ( -1.353 4.654 3.352) 5.893 5.496 ( 3.847 0.544 4.617) 6.034 5.547 ( 3.933 -2.593 5.953) 7.592 5.578 ( 2.543 -3.539 4.398) 6.192 5.685 ( 8.735 2.315 -6.709) 11.255 5.778 ( 4.897 -0.971 -7.665) 9.148 5.806 ( -1.365 -4.498 -2.045) 5.126 5.908 ( -1.377 -2.758 0.996) 3.239 5.979 ( 0.974 2.398 1.292) 2.893 6.156 ( -4.212 4.887 -4.310) 7.759 6.178 ( -5.794 1.539 3.037) 6.720 6.202 ( 2.828 -5.800 2.036) 6.767 6.317 ( -8.691 2.336 -1.940) 9.207 6.342 ( -3.471 2.243 0.452) 4.157 6.450 ( -0.639 -7.387 2.279) 7.757 6.538 ( 2.805 1.263 -0.513) 3.119 6.684 ( -4.274 -1.472 0.843) 4.598 6.726 ( -3.673 4.317 -0.056) 5.668 6.776 ( -0.467 -4.579 -4.296) 6.296 6.802 ( 3.769 -0.418 -0.254) 3.800 6.873 ( -2.764 0.098 -1.244) 3.033 6.892 ( 0.103 -1.226 2.847) 3.101 7.040 ( -5.294 -3.065 -0.687) 6.156 7.100 ( 5.562 -3.834 -2.893) 7.349 7.119 ( -2.581 -0.027 -1.776) 3.133 7.218 ( -3.465 -2.998 0.543) 4.614 7.229 ( 4.534 -2.804 0.917) 5.410 7.282 ( 1.386 -3.964 1.123) 4.347 7.329 ( -1.817 -3.057 -0.771) 3.639 7.416 ( 2.165 2.674 3.237) 4.724 7.456 ( 7.332 -1.921 -2.649) 8.029 7.524 ( -1.036 -0.415 -0.082) 1.119 7.541 ( 3.381 -3.986 -1.483) 5.433 7.606 ( -0.694 1.355 -5.137) 5.358 7.639 ( -1.919 2.634 -1.298) 3.508 7.760 ( -5.713 1.824 0.923) 6.068 7.822 ( -2.364 -2.762 2.242) 4.271 7.890 ( 0.161 -3.777 0.553) 3.821 7.947 ( 0.906 -1.355 2.612) 3.079 7.962 ( 4.076 2.146 -0.417) 4.626 7.990 ( -0.496 9.028 -1.822) 9.223 8.022 ( -4.232 2.686 4.341) 6.631 8.114 ( -2.251 0.492 -2.045) 3.080 8.206 ( -0.579 3.023 4.296) 5.285 8.245 ( -0.864 3.805 -0.722) 3.968 8.308 ( -5.352 7.364 -4.387) 10.105 8.378 ( -4.196 4.996 -4.535) 7.946 8.413 ( 0.731 3.214 -4.580) 5.643 8.463 ( 1.611 5.143 0.959) 5.474 8.518 ( -2.725 -0.254 0.126) 2.740 8.627 ( 0.961 1.025 -1.289) 1.907 8.639 ( 0.585 1.262 0.803) 1.606 8.767 ( 1.933 -1.709 5.195) 5.800 8.812 ( -5.095 -1.148 0.071) 5.223 8.836 ( -0.027 -0.647 2.679) 2.757 8.934 ( -2.584 -0.319 2.843) 3.855 9.011 ( -2.859 -0.193 2.423) 3.752 9.112 ( -7.886 -2.821 -1.232) 8.466 9.186 ( -3.028 2.476 -4.153) 5.705 9.228 ( -8.692 0.598 -0.604) 8.734 9.455 ( -8.143 -5.026 5.705) 11.140 9.528 ( -8.649 -7.413 5.929) 12.842 9.603 ( -3.290 -2.309 -0.738) 4.086 9.676 ( -0.222 -0.657 -2.996) 3.075 9.707 ( -6.998 -3.870 3.264) 8.637 9.844 ( -8.892 -0.538 1.138) 8.981 9.882 ( -6.176 5.218 4.265) 9.141 10.013 ( -1.357 1.342 5.009) 5.360 10.065 ( -1.156 1.161 -1.165) 2.010 10.134 ( 3.068 0.217 1.556) 3.447 10.240 ( 4.062 2.153 1.833) 4.949 10.318 ( 1.938 -2.817 -2.819) 4.432 10.390 ( 2.077 2.770 -1.757) 3.883 10.459 ( 6.927 0.986 1.403) 7.136 10.506 ( 6.901 -1.730 2.430) 7.518 10.535 ( 0.911 0.934 -4.207) 4.404 10.814 ( 3.931 1.383 -3.036) 5.156 10.841 ( 2.190 -0.421 4.039) 4.613 10.994 ( 0.510 2.135 1.544) 2.684 11.342 ( -3.999 0.396 4.363) 5.931 11.453 ( -8.266 -2.770 0.365) 8.726 11.588 ( -7.693 1.389 1.242) 7.916 11.742 ( -7.826 -5.243 -4.963) 10.647 12.021 ( 14.715 -10.475 -8.071) 19.784 12.436 ( -5.577 -1.647 -1.948) 6.133 12.485 ( -7.638 4.955 -1.267) 9.192 12.543 ( -7.222 -2.442 -3.362) 8.332 12.673 ( -9.970 3.092 1.005) 10.487 13.854 ( 15.823 1.449 -2.344) 16.061 13.935 ( 5.352 3.595 1.831) 6.702 14.036 ( 8.611 -5.270 -1.563) 10.215 14.132 ( 17.617 -0.927 2.580) 17.829 14.172 ( 11.503 0.999 -0.202) 11.548 14.347 ( 4.949 1.584 -1.970) 5.558 14.447 ( 11.917 0.155 3.976) 12.564 14.509 ( 9.715 -2.491 0.223) 10.031 14.648 ( 14.248 2.038 -0.594) 14.405 14.735 ( 7.797 -1.775 -0.330) 8.003 14.875 ( 12.866 3.924 -1.570) 13.542 14.965 ( 11.924 -0.945 -4.384) 12.739 15.244 ( -2.162 3.680 3.251) 5.365 15.254 ( 4.061 0.312 -3.995) 5.705 15.401 ( -2.844 0.935 5.942) 6.653 15.711 ( -1.180 -4.122 -3.461) 5.510 15.743 ( -2.812 0.607 0.484) 2.917 15.961 ( 1.116 -3.916 -1.415) 4.311 16.071 ( 0.687 1.584 -2.154) 2.761 16.168 ( -0.422 -1.173 -0.766) 1.463 18.544 ( -12.361 0.276 0.466) 12.372 18.567 ( -10.527 1.159 -0.861) 10.626 18.622 ( -9.865 -1.277 -1.068) 10.004 18.704 ( -6.953 -3.094 0.490) 7.626 24.641 ( 0.076 2.185 -0.636) 2.277 24.800 ( 3.502 2.663 0.125) 4.401 24.868 ( 2.900 -3.492 1.168) 4.687 25.177 ( 11.164 -7.807 -4.962) 14.499 26.461 ( -1.333 1.585 1.105) 2.347 26.608 ( -1.115 -1.457 2.054) 2.753 26.621 ( -0.247 0.330 0.230) 0.472 26.712 ( -0.638 -1.281 0.041) 1.432 27.849 ( 0.096 5.598 0.803) 5.656 27.912 ( 2.707 7.527 1.167) 8.084 28.022 ( -0.827 7.189 -0.379) 7.246 28.067 ( -1.790 10.671 -1.101) 10.875 28.399 ( 4.788 -3.669 -3.684) 7.069 28.508 ( 10.960 -4.274 2.072) 11.945 28.789 ( -0.976 -0.544 -0.880) 1.423 28.947 ( 3.207 -3.866 -1.796) 5.335 29.111 ( 0.047 -1.438 1.048) 1.780 29.138 ( -4.195 -6.447 -0.419) 7.703 29.326 ( 0.093 0.827 -0.462) 0.952 29.427 ( 8.438 -0.365 0.763) 8.481 29.534 ( -9.572 1.635 10.868) 14.574 29.787 ( -6.290 -6.533 -2.209) 9.334 30.095 ( -3.137 -0.374 0.530) 3.203 30.110 ( 2.675 0.476 0.466) 2.757 30.270 ( 2.179 1.688 -1.527) 3.151 30.388 ( -4.954 7.727 -1.546) 9.308 30.754 ( -6.256 -5.228 3.311) 8.799 30.957 ( -12.039 -1.453 -2.455) 12.373 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 5.305 2.935 -0.267) 6.069 1.980 ( 6.401 5.834 -2.090) 8.909 2.257 ( 3.404 0.068 -8.727) 9.368 2.283 ( 0.778 -0.500 6.282) 6.349 2.351 ( -11.146 -5.137 -1.872) 12.415 2.507 ( -8.492 -5.297 12.929) 16.350 2.589 ( -2.685 -0.198 9.839) 10.201 2.801 ( 13.020 4.810 4.092) 14.471 2.946 ( -5.003 -0.488 4.171) 6.532 2.975 ( -3.605 -0.642 -1.968) 4.157 3.043 ( -9.021 -4.390 -7.903) 12.771 3.192 ( -0.937 0.489 -5.549) 5.649 3.233 ( -11.074 0.744 -4.394) 11.937 3.335 ( 5.900 -2.204 -1.535) 6.482 3.451 ( 0.071 2.036 -6.988) 7.279 3.509 ( -3.942 -5.178 -1.706) 6.727 3.673 ( 1.692 -7.683 4.884) 9.259 3.695 ( 3.894 0.133 3.512) 5.245 3.814 ( 4.855 -0.800 -3.657) 6.130 3.846 ( 7.032 1.614 -2.371) 7.595 3.925 ( -2.897 -2.724 6.219) 7.382 3.966 ( 3.857 -2.293 -7.930) 9.111 4.114 ( -2.435 2.388 -0.755) 3.493 4.186 ( -2.467 7.538 1.626) 8.097 4.312 ( 2.226 5.742 6.250) 8.774 4.422 ( -3.180 3.830 4.936) 7.011 4.521 ( -3.614 -3.034 -7.382) 8.761 4.537 ( -1.506 -1.158 8.174) 8.392 4.625 ( -5.520 -2.686 -4.816) 7.802 4.666 ( 2.466 0.112 -0.682) 2.561 4.723 ( 6.336 3.330 9.643) 12.009 4.866 ( 4.180 3.458 -4.490) 7.042 4.956 ( -2.168 3.603 -6.323) 7.593 4.994 ( -3.368 8.056 0.820) 8.770 5.041 ( -1.009 1.137 2.864) 3.242 5.066 ( 3.406 2.592 -6.012) 7.380 5.114 ( 11.209 0.530 6.208) 12.825 5.176 ( -0.883 5.245 6.680) 8.539 5.369 ( 6.638 1.685 2.215) 7.198 5.419 ( 0.085 -1.415 1.528) 2.085 5.482 ( -0.520 -0.004 -1.546) 1.632 5.540 ( -1.568 -8.781 -1.820) 9.103 5.609 ( 4.649 2.977 4.230) 6.955 5.668 ( -2.611 0.858 1.734) 3.250 5.724 ( 3.612 -1.610 -5.957) 7.150 5.779 ( 3.100 -0.326 -6.758) 7.443 5.850 ( 5.022 4.204 -6.174) 9.001 5.936 ( -4.635 -0.335 -3.193) 5.638 5.939 ( 5.478 -2.657 8.706) 10.623 6.038 ( 0.110 -1.442 -0.393) 1.499 6.130 ( -0.745 7.326 -2.557) 7.795 6.237 ( -0.103 -2.145 1.009) 2.372 6.291 ( -2.237 -0.815 7.259) 7.640 6.353 ( 4.803 8.491 2.557) 10.085 6.413 ( -1.568 0.016 -6.480) 6.667 6.560 ( -4.261 9.511 -1.236) 10.495 6.594 ( 1.392 -3.452 -0.379) 3.741 6.690 ( -2.916 -5.877 6.319) 9.109 6.772 ( 2.314 -0.265 1.204) 2.622 6.817 ( -0.634 -0.109 -5.491) 5.528 6.875 ( -0.645 -0.852 -2.377) 2.606 6.881 ( -1.525 -0.696 0.431) 1.731 6.960 ( 1.125 0.323 1.240) 1.705 7.084 ( -4.307 -3.813 -4.828) 7.510 7.125 ( -2.879 -6.279 -0.386) 6.918 7.184 ( 0.896 -4.387 2.205) 4.991 7.254 ( 0.345 -6.928 -4.697) 8.377 7.288 ( 3.137 -0.522 2.658) 4.145 7.403 ( -2.490 3.149 1.012) 4.141 7.440 ( 3.296 -4.604 -2.539) 6.206 7.459 ( 0.108 -3.888 3.817) 5.450 7.539 ( 2.190 1.437 -1.252) 2.904 7.578 ( 1.209 -1.603 -1.250) 2.365 7.622 ( 0.292 -4.012 -0.311) 4.035 7.626 ( 5.004 -0.703 -0.017) 5.053 7.695 ( -7.099 -2.025 -0.885) 7.435 7.734 ( 1.414 0.573 0.641) 1.654 7.847 ( -5.942 -3.058 6.976) 9.661 7.916 ( -5.002 3.053 0.528) 5.884 7.962 ( -1.243 4.774 -4.498) 6.675 8.001 ( 0.222 -1.369 -2.164) 2.570 8.032 ( 0.008 1.620 2.248) 2.771 8.057 ( -2.429 5.022 -1.566) 5.794 8.162 ( -3.408 -2.231 0.436) 4.097 8.205 ( 2.767 5.135 0.493) 5.854 8.252 ( -1.899 5.734 1.933) 6.342 8.311 ( 1.471 0.831 -5.365) 5.625 8.394 ( 4.181 2.803 -7.087) 8.693 8.482 ( 3.792 0.064 -1.703) 4.157 8.581 ( 2.773 0.418 0.541) 2.856 8.624 ( -4.688 3.160 2.949) 6.376 8.663 ( 1.458 -2.876 -1.313) 3.481 8.712 ( -0.897 0.558 -0.529) 1.182 8.800 ( -1.042 -3.375 3.747) 5.149 8.845 ( -2.882 -1.281 -0.504) 3.194 8.913 ( -5.761 3.954 3.707) 7.910 8.918 ( -5.978 0.233 4.219) 7.320 9.049 ( 2.955 3.014 0.729) 4.284 9.089 ( 2.809 -0.720 -7.338) 7.890 9.164 ( -2.986 0.016 2.391) 3.825 9.341 ( -10.182 -4.744 2.191) 11.445 9.374 ( -2.878 -1.604 1.997) 3.852 9.503 ( -5.812 -3.698 0.274) 6.894 9.611 ( -2.865 -3.675 -0.593) 4.697 9.676 ( 1.669 0.727 -3.284) 3.755 9.752 ( -2.183 2.302 -2.016) 3.759 9.831 ( -2.743 4.573 4.225) 6.804 10.061 ( 0.091 -0.731 7.525) 7.561 10.083 ( 1.114 2.507 3.375) 4.349 10.193 ( 0.607 -2.673 5.261) 5.932 10.333 ( 2.994 0.744 0.454) 3.118 10.357 ( 3.564 0.834 0.956) 3.783 10.425 ( 1.272 5.086 2.895) 5.989 10.543 ( 1.751 -0.543 -6.634) 6.882 10.590 ( 5.256 0.384 -0.633) 5.308 10.691 ( 8.546 -1.857 1.501) 8.873 10.851 ( -0.479 0.943 2.821) 3.013 10.927 ( 2.403 -1.023 4.784) 5.451 10.976 ( -2.899 3.917 1.533) 5.109 11.256 ( -4.500 -3.408 -0.476) 5.666 11.372 ( -2.129 0.983 1.600) 2.839 11.464 ( -4.196 2.202 0.388) 4.754 11.579 ( -4.575 -7.163 -3.759) 9.293 12.156 ( 6.538 -10.035 -14.565) 18.857 12.311 ( -3.214 1.824 -3.670) 5.209 12.370 ( -3.677 -3.142 -0.872) 4.915 12.425 ( -2.756 -0.571 -4.107) 4.979 12.543 ( -3.076 1.480 -0.787) 3.503 13.999 ( 0.624 2.954 0.936) 3.161 14.040 ( 5.455 2.344 -1.677) 6.169 14.171 ( 5.301 -2.648 -0.284) 5.933 14.256 ( -1.238 -1.673 0.657) 2.182 14.353 ( 5.901 2.368 -1.837) 6.618 14.488 ( 4.876 0.970 3.257) 5.944 14.510 ( 3.821 -0.724 -2.270) 4.503 14.676 ( 4.561 -1.487 -0.873) 4.876 14.805 ( -0.272 1.069 -0.519) 1.219 14.906 ( 7.509 -0.859 -0.722) 7.593 15.082 ( 2.929 3.265 -0.494) 4.414 15.120 ( 7.604 1.606 3.924) 8.706 15.230 ( 2.614 3.950 1.477) 4.962 15.307 ( -4.770 -1.185 3.997) 6.335 15.447 ( 3.519 1.349 10.667) 11.313 15.670 ( 0.663 -1.508 -2.514) 3.006 15.742 ( 1.476 -1.015 0.190) 1.801 15.966 ( 1.802 -3.084 -6.160) 7.121 16.062 ( 0.183 1.070 -2.679) 2.891 16.155 ( -0.391 -1.228 -1.179) 1.746 18.350 ( -6.263 -0.350 0.360) 6.283 18.402 ( -4.983 1.838 -0.882) 5.384 18.486 ( -3.169 -2.197 0.381) 3.875 18.608 ( -2.746 -4.465 -0.296) 5.250 24.653 ( 0.981 2.588 1.101) 2.979 24.839 ( 0.835 3.385 -1.353) 3.740 24.936 ( 1.830 -4.540 4.283) 6.504 25.328 ( 7.438 -9.966 -2.966) 12.785 26.451 ( -0.576 1.586 1.379) 2.179 26.594 ( -0.805 -0.431 -0.236) 0.943 26.619 ( -0.815 -1.125 1.925) 2.373 26.699 ( -0.520 -1.192 -0.366) 1.351 27.860 ( 0.071 6.546 1.778) 6.784 27.979 ( 0.099 6.953 1.097) 7.040 28.001 ( 2.236 13.479 1.349) 13.729 28.040 ( -0.868 5.762 -0.256) 5.833 28.440 ( 3.060 -2.996 -7.236) 8.408 28.744 ( 6.848 -4.788 3.803) 9.180 28.787 ( 4.438 -2.053 -0.599) 4.927 28.942 ( -11.951 -6.055 0.141) 13.398 28.984 ( 0.688 -5.429 -2.491) 6.013 29.059 ( -4.094 -3.361 -0.029) 5.297 29.359 ( 0.570 4.055 -1.296) 4.295 29.445 ( -0.988 -2.088 1.226) 2.615 29.670 ( 4.887 1.516 3.487) 6.192 29.731 ( 3.695 -3.521 1.182) 5.239 29.969 ( -7.048 2.948 -0.573) 7.661 30.110 ( -4.568 1.649 -0.885) 4.937 30.236 ( -4.417 7.257 1.476) 8.622 30.322 ( 2.529 3.362 -1.433) 4.444 30.699 ( -2.573 -7.375 0.046) 7.811 30.790 ( -2.142 -3.876 -2.856) 5.269 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 1.906 3.144 -1.938) 4.156 1.989 ( -6.099 5.139 -3.953) 8.901 2.243 ( -3.273 -2.568 4.552) 6.167 2.368 ( 5.636 -1.617 -1.748) 6.118 2.420 ( -10.320 3.899 16.461) 19.816 2.502 ( -4.947 -7.354 4.260) 9.834 2.612 ( 1.598 -0.590 -3.538) 3.926 2.708 ( 5.700 -0.467 8.284) 10.066 2.792 ( -1.350 3.441 -4.272) 5.649 2.909 ( 2.168 2.062 0.865) 3.115 3.042 ( 11.238 3.338 -9.852) 15.314 3.227 ( 3.125 -8.956 2.504) 9.811 3.257 ( 5.659 -7.636 3.872) 10.263 3.404 ( -1.393 -5.055 -5.260) 7.427 3.527 ( 4.945 -1.383 -6.334) 8.154 3.569 ( 10.927 -6.023 5.354) 13.577 3.678 ( -2.684 1.019 -0.744) 2.966 3.763 ( 1.599 3.947 -3.034) 5.229 3.866 ( 1.819 -1.542 -1.472) 2.802 3.915 ( 10.036 3.246 -0.253) 10.551 3.937 ( -6.427 2.584 4.271) 8.138 4.061 ( 6.408 -4.139 -5.862) 9.621 4.104 ( 0.611 0.538 5.116) 5.180 4.134 ( -8.837 1.198 1.993) 9.138 4.266 ( -6.635 -1.702 -5.850) 9.008 4.318 ( -6.379 8.523 -0.640) 10.665 4.403 ( -3.385 -3.168 -0.672) 4.685 4.488 ( -2.876 7.353 -5.025) 9.358 4.515 ( 0.872 0.830 3.061) 3.289 4.681 ( -2.970 6.876 6.125) 9.675 4.699 ( -8.664 3.056 2.440) 9.506 4.786 ( -2.053 -0.202 -2.151) 2.981 4.841 ( -3.279 3.120 -4.821) 6.613 4.930 ( -5.145 4.931 -3.557) 7.964 5.002 ( -0.611 7.541 2.383) 7.932 5.092 ( 2.226 5.031 -4.555) 7.142 5.143 ( -1.248 -2.952 2.973) 4.371 5.294 ( -3.208 -2.688 -1.896) 4.595 5.369 ( -6.193 -3.996 7.040) 10.193 5.488 ( -3.802 2.535 3.002) 5.467 5.520 ( 1.986 -2.040 3.904) 4.832 5.539 ( 3.840 -3.622 7.337) 9.038 5.554 ( 3.146 -1.258 -4.378) 5.536 5.692 ( -6.863 -1.201 -0.765) 7.009 5.787 ( -0.270 4.112 2.201) 4.672 5.806 ( -5.423 -1.053 -0.856) 5.590 5.857 ( 4.133 -0.422 -2.802) 5.011 5.920 ( 5.035 -7.149 -7.951) 11.818 5.999 ( -3.076 4.185 4.263) 6.720 6.075 ( -2.411 -6.688 1.345) 7.235 6.102 ( -3.145 -1.476 -2.393) 4.218 6.197 ( -1.779 0.432 -3.752) 4.175 6.285 ( -3.919 -0.787 -0.877) 4.092 6.367 ( 3.802 3.070 1.893) 5.241 6.443 ( -3.259 5.347 5.679) 8.454 6.507 ( 2.577 -0.210 0.807) 2.709 6.617 ( 6.093 5.704 2.263) 8.647 6.683 ( 0.271 1.342 -3.200) 3.480 6.733 ( 4.880 2.296 1.778) 5.678 6.844 ( 0.644 2.912 0.048) 2.983 6.917 ( 3.730 0.792 -2.408) 4.510 6.953 ( 4.388 -1.140 -0.073) 4.534 6.966 ( 0.225 1.547 -1.266) 2.011 7.061 ( 3.387 -1.125 5.697) 6.723 7.101 ( 1.500 -1.312 -3.172) 3.746 7.114 ( -4.052 3.158 -2.007) 5.516 7.249 ( 1.295 -4.850 -3.627) 6.194 7.307 ( -4.389 1.782 -2.218) 5.231 7.335 ( -2.533 -3.302 -2.253) 4.732 7.444 ( -1.747 -3.367 1.193) 3.976 7.494 ( 1.876 -1.163 1.361) 2.593 7.550 ( 2.840 -2.015 -1.123) 3.659 7.591 ( 1.034 -0.646 0.293) 1.254 7.666 ( -1.225 -4.995 0.849) 5.213 7.691 ( 2.676 -2.698 -2.846) 4.748 7.722 ( 0.950 -0.433 0.629) 1.219 7.767 ( 1.010 -1.133 5.859) 6.052 7.830 ( 4.285 -6.649 0.252) 7.914 7.881 ( 1.531 0.266 2.188) 2.684 7.905 ( -0.185 0.431 -3.217) 3.251 7.951 ( -0.809 -3.028 -0.209) 3.142 8.033 ( -0.501 3.724 -0.490) 3.789 8.083 ( 3.583 0.339 1.030) 3.744 8.128 ( 2.246 3.487 -1.929) 4.575 8.223 ( -2.315 3.806 -2.820) 5.273 8.288 ( 3.173 1.369 -3.713) 5.073 8.371 ( 7.374 3.045 3.143) 8.574 8.423 ( 1.269 2.498 -3.231) 4.276 8.482 ( -6.594 2.320 -2.545) 7.439 8.527 ( -0.581 4.266 -0.333) 4.318 8.648 ( 3.104 -0.572 1.669) 3.570 8.658 ( 5.517 -0.027 -5.558) 7.831 8.736 ( -5.051 -1.083 1.631) 5.417 8.742 ( -3.654 -3.314 -2.218) 5.409 8.810 ( 3.127 -0.547 4.608) 5.595 8.840 ( -2.847 1.376 2.998) 4.358 8.985 ( 5.616 -3.612 4.941) 8.307 9.053 ( -2.650 5.555 -0.123) 6.156 9.137 ( -0.348 -1.593 3.078) 3.483 9.161 ( 2.968 -0.200 -1.210) 3.211 9.256 ( 2.711 -3.822 -0.255) 4.693 9.379 ( 2.208 -0.965 -1.370) 2.772 9.422 ( -2.327 -2.328 0.509) 3.331 9.591 ( 1.804 -1.687 -2.203) 3.310 9.685 ( 1.607 1.775 -2.918) 3.775 9.724 ( 1.219 1.246 -2.102) 2.730 9.830 ( -1.309 3.218 5.655) 6.637 10.054 ( -1.904 -1.354 2.287) 3.269 10.155 ( 0.549 0.770 6.826) 6.891 10.216 ( -2.704 -2.476 5.228) 6.385 10.337 ( -2.346 2.310 0.750) 3.377 10.394 ( -2.576 2.087 0.608) 3.370 10.468 ( -0.868 2.352 5.380) 5.936 10.504 ( -1.670 0.701 -0.812) 1.985 10.606 ( -0.951 -0.789 -3.351) 3.572 10.777 ( -0.607 -1.722 -0.111) 1.829 10.833 ( -5.483 -0.293 5.966) 8.108 10.933 ( -1.511 9.145 0.560) 9.286 10.997 ( 2.136 -0.536 6.327) 6.699 11.258 ( 0.393 -3.631 -0.357) 3.670 11.323 ( 1.525 -0.164 0.910) 1.783 11.440 ( 1.335 -0.024 -1.115) 1.739 11.589 ( 8.050 -6.793 -3.115) 10.985 12.084 ( -2.836 -10.205 -18.316) 21.158 12.298 ( 0.713 -2.708 -4.182) 5.033 12.323 ( 5.845 1.511 -3.417) 6.937 12.433 ( 4.824 0.385 -0.825) 4.909 12.530 ( 2.646 0.877 -2.127) 3.506 13.974 ( -3.395 2.258 -0.080) 4.078 14.070 ( -1.640 3.708 -0.499) 4.085 14.171 ( -5.959 -2.535 -1.158) 6.578 14.205 ( -2.298 -0.230 0.756) 2.430 14.372 ( -5.911 1.322 0.075) 6.058 14.476 ( -6.101 1.741 -4.390) 7.716 14.531 ( -1.745 -0.167 2.972) 3.451 14.666 ( -6.472 -2.964 0.857) 7.170 14.774 ( -0.801 3.309 -0.586) 3.454 14.940 ( -4.163 -1.737 -0.290) 4.520 15.065 ( -3.335 3.678 -2.751) 5.676 15.186 ( -1.931 0.055 1.691) 2.567 15.232 ( -4.806 0.337 6.663) 8.223 15.247 ( -2.631 0.565 3.828) 4.679 15.581 ( 2.415 -1.552 8.699) 9.160 15.719 ( 4.467 -0.158 2.641) 5.192 15.783 ( 1.126 0.568 3.747) 3.953 15.933 ( 0.099 -4.215 -9.236) 10.153 16.055 ( 1.319 1.314 -3.633) 4.082 16.129 ( -0.998 -0.610 -2.965) 3.187 18.338 ( 4.640 0.121 -0.039) 4.642 18.412 ( 6.722 1.376 -0.461) 6.877 18.517 ( 5.048 -3.064 1.713) 6.148 18.606 ( 3.119 -4.954 -1.214) 5.979 24.686 ( 0.998 2.695 2.502) 3.810 24.812 ( -2.110 3.702 -2.563) 4.972 24.977 ( -1.313 -4.560 5.653) 7.381 25.412 ( 2.736 -14.437 -2.064) 14.839 26.458 ( 0.184 1.322 1.742) 2.195 26.580 ( -0.144 -0.408 -0.670) 0.797 26.613 ( -1.065 -1.425 1.400) 2.264 26.692 ( 0.096 -1.609 -0.332) 1.646 27.875 ( -0.096 7.143 2.482) 7.562 27.945 ( -2.167 6.237 0.335) 6.611 28.023 ( -0.665 4.855 -0.697) 4.950 28.133 ( 7.711 20.142 5.620) 22.288 28.417 ( 0.037 -2.659 -7.487) 7.946 28.649 ( -10.104 -5.153 -4.136) 12.073 28.764 ( -7.409 -3.569 0.990) 8.283 28.894 ( -1.178 -3.656 2.673) 4.680 28.992 ( 0.544 -3.243 -1.773) 3.736 29.083 ( 8.031 -0.494 -0.554) 8.065 29.319 ( -3.100 -0.858 0.049) 3.217 29.451 ( 0.836 -3.594 -3.072) 4.801 29.593 ( -10.938 4.142 0.963) 11.736 29.712 ( -4.411 -6.431 3.550) 8.568 30.043 ( 6.678 2.028 2.005) 7.261 30.086 ( 6.742 5.668 -2.537) 9.166 30.214 ( 0.781 6.851 0.245) 6.900 30.344 ( -0.247 1.890 -0.264) 1.924 30.679 ( 1.802 -7.239 -0.785) 7.501 30.802 ( 4.392 -4.335 -2.217) 6.557 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -30.147 12.940 -3.056) 32.949 1.689 ( -28.660 12.003 2.638) 31.184 2.184 ( 2.695 -7.666 -0.779) 8.163 2.310 ( -6.953 3.499 12.677) 14.876 2.374 ( 4.067 -3.784 -8.634) 10.266 2.658 ( 7.945 -2.208 4.010) 9.170 2.741 ( 10.098 -3.318 0.716) 10.653 2.809 ( -4.485 8.176 -3.946) 10.126 2.907 ( -10.523 -5.518 2.176) 12.080 3.017 ( 6.061 1.582 -0.979) 6.340 3.107 ( -11.318 12.247 0.921) 16.701 3.168 ( -0.270 -11.571 -0.321) 11.578 3.315 ( 12.448 0.347 -4.881) 13.375 3.409 ( 3.734 -8.023 0.373) 8.857 3.501 ( 3.681 6.886 -1.895) 8.034 3.593 ( -8.569 -1.503 -1.710) 8.866 3.732 ( -2.624 1.015 -3.034) 4.138 3.811 ( 7.344 -2.022 -5.106) 9.171 3.833 ( 10.796 -0.775 3.600) 11.407 3.862 ( 2.615 -3.486 -1.398) 4.577 4.023 ( 1.311 -6.803 1.033) 7.005 4.137 ( 8.890 -3.083 2.606) 9.764 4.148 ( 1.140 -3.393 0.414) 3.603 4.233 ( -1.702 6.392 0.096) 6.616 4.273 ( 8.630 4.172 -1.954) 9.782 4.296 ( 12.931 -3.151 -0.608) 13.323 4.405 ( 2.446 2.709 6.399) 7.366 4.485 ( -5.557 1.611 1.531) 5.985 4.558 ( 2.400 6.036 1.054) 6.581 4.593 ( -4.195 5.733 5.253) 8.835 4.658 ( -0.299 3.901 -0.954) 4.027 4.714 ( 1.887 4.084 -3.822) 5.903 4.779 ( -1.082 1.063 1.133) 1.893 4.860 ( 0.027 2.858 -10.023) 10.422 4.973 ( -5.458 3.125 2.827) 6.896 5.034 ( -2.842 2.145 0.865) 3.664 5.112 ( -10.666 -6.191 -1.942) 12.484 5.151 ( -10.535 -2.067 4.077) 11.484 5.270 ( -3.630 1.017 5.524) 6.688 5.309 ( -11.424 6.854 5.263) 14.324 5.437 ( -8.996 -2.218 -6.460) 11.295 5.491 ( -9.519 -1.092 4.380) 10.535 5.584 ( -10.119 -13.528 -1.597) 16.969 5.670 ( -1.894 -4.243 -0.353) 4.660 5.697 ( 0.466 -4.016 -4.427) 5.996 5.750 ( -3.723 0.763 8.058) 8.909 5.826 ( 2.606 -1.217 -4.738) 5.542 5.886 ( -5.380 -5.653 1.358) 7.921 5.929 ( 1.443 3.864 3.872) 5.658 6.059 ( 2.459 -6.861 -3.641) 8.147 6.144 ( 4.904 -4.210 4.180) 7.697 6.206 ( 6.757 -0.764 -2.225) 7.155 6.284 ( 3.633 -1.687 2.241) 4.590 6.446 ( 1.327 9.733 1.234) 9.901 6.492 ( 5.034 -0.062 5.014) 7.105 6.582 ( 3.843 -2.079 -2.838) 5.210 6.709 ( -2.629 1.393 -2.683) 4.006 6.725 ( 4.858 1.617 -0.902) 5.199 6.793 ( -4.070 1.969 -5.949) 7.472 6.871 ( 1.229 6.386 -0.360) 6.513 6.891 ( -0.345 6.335 0.894) 6.407 6.968 ( 0.586 1.218 -1.584) 2.082 6.990 ( 0.867 0.897 0.418) 1.315 7.039 ( -1.889 2.873 1.809) 3.885 7.105 ( 0.785 1.358 -1.160) 1.951 7.154 ( 1.369 0.135 2.104) 2.514 7.221 ( 0.916 1.684 -1.143) 2.231 7.288 ( 0.522 5.196 -3.116) 6.081 7.362 ( 4.883 -3.348 -2.068) 6.271 7.451 ( 1.434 -2.001 -2.591) 3.574 7.518 ( -5.834 -3.609 3.272) 7.601 7.524 ( -1.566 0.035 -1.373) 2.083 7.592 ( -2.209 0.172 5.044) 5.510 7.634 ( -3.029 -6.462 -0.389) 7.148 7.698 ( -0.189 -1.415 -5.596) 5.775 7.725 ( 3.695 -3.238 -3.731) 6.169 7.810 ( -3.313 -1.439 2.691) 4.504 7.825 ( -1.845 -3.429 0.179) 3.898 7.874 ( 5.840 1.629 3.796) 7.153 7.957 ( -0.958 -3.384 0.711) 3.588 8.021 ( 4.562 -4.745 0.607) 6.611 8.059 ( 2.546 8.356 -1.679) 8.895 8.133 ( 0.252 3.397 -5.352) 6.344 8.175 ( 5.630 0.139 -0.868) 5.699 8.224 ( 5.125 6.933 -2.062) 8.865 8.332 ( -0.557 1.904 0.138) 1.988 8.398 ( -1.613 0.990 0.130) 1.897 8.411 ( 4.993 2.453 1.034) 5.659 8.507 ( 4.224 1.441 -6.576) 7.947 8.562 ( 0.209 4.180 -0.695) 4.243 8.649 ( 0.081 -1.109 -1.697) 2.028 8.675 ( 3.973 -1.109 1.465) 4.378 8.725 ( 2.511 -1.855 1.098) 3.309 8.751 ( -1.032 2.871 -0.471) 3.087 8.833 ( 3.647 0.903 -1.422) 4.017 8.902 ( 0.537 -0.920 7.644) 7.718 8.995 ( -2.424 1.526 6.895) 7.467 9.126 ( 1.822 1.185 1.594) 2.696 9.148 ( 4.007 -3.786 -4.269) 6.972 9.172 ( 0.426 -2.477 -0.532) 2.570 9.412 ( 7.053 0.466 -2.809) 7.606 9.429 ( 3.865 -5.634 3.679) 7.760 9.456 ( 8.248 -3.879 4.307) 10.081 9.638 ( 4.360 0.429 -3.262) 5.462 9.714 ( 3.162 1.728 -0.022) 3.603 9.796 ( 7.970 -1.170 -2.202) 8.351 9.846 ( -1.871 1.885 8.495) 8.900 10.042 ( -1.051 -2.100 2.538) 3.457 10.156 ( -5.671 -0.128 2.327) 6.131 10.189 ( 0.133 -0.831 2.612) 2.744 10.237 ( -6.293 1.301 -1.431) 6.583 10.313 ( -4.679 1.141 1.141) 4.950 10.475 ( -0.704 0.961 7.378) 7.474 10.488 ( -1.219 3.151 1.971) 3.912 10.584 ( 0.453 2.066 -3.155) 3.799 10.708 ( -4.355 -2.490 -0.211) 5.021 10.738 ( -6.626 3.802 6.183) 9.828 10.913 ( -0.304 11.223 -3.518) 11.766 11.114 ( 2.489 -3.804 9.772) 10.778 11.170 ( -2.377 0.549 -1.398) 2.812 11.494 ( 5.699 -5.839 1.149) 8.240 11.517 ( 10.441 -1.403 -0.552) 10.550 11.741 ( 1.194 -4.835 -11.859) 12.862 11.835 ( -1.837 -8.612 -8.681) 12.365 12.356 ( 7.534 -0.741 -3.760) 8.453 12.439 ( 7.351 -1.974 -3.335) 8.310 12.573 ( 8.297 3.182 -0.477) 8.899 12.646 ( 11.856 2.276 -0.862) 12.103 13.860 ( -9.178 0.940 -1.772) 9.395 13.948 ( -12.057 3.225 1.560) 12.578 13.973 ( -15.670 -1.541 -2.337) 15.918 14.114 ( -12.713 0.085 2.535) 12.963 14.141 ( -12.353 0.704 -0.995) 12.413 14.242 ( -11.082 3.711 -3.026) 12.072 14.398 ( -11.473 0.846 1.437) 11.594 14.606 ( -1.740 -2.697 2.533) 4.089 14.700 ( -7.086 1.754 0.416) 7.311 14.767 ( -11.402 -1.774 0.677) 11.559 14.893 ( -11.684 2.925 -3.597) 12.570 15.129 ( -3.724 -2.580 2.204) 5.038 15.176 ( -3.770 -3.261 1.684) 5.262 15.316 ( 3.916 -2.341 4.673) 6.531 15.647 ( 1.365 -1.976 -3.872) 4.557 15.799 ( -0.162 0.208 -3.897) 3.906 15.811 ( -0.059 -2.066 4.008) 4.510 15.904 ( 1.774 -4.890 5.220) 7.370 16.026 ( -2.105 1.737 -4.587) 5.337 16.114 ( 2.822 -0.147 -3.832) 4.762 18.497 ( 10.963 0.733 -0.491) 10.999 18.611 ( 12.484 0.197 -0.056) 12.485 18.655 ( 7.875 -4.040 -0.194) 8.853 18.707 ( 7.713 -2.166 -0.253) 8.015 24.715 ( -0.021 2.423 2.470) 3.460 24.738 ( -3.397 3.235 -2.647) 5.386 24.959 ( -3.974 -3.579 4.416) 6.935 25.375 ( -5.158 -21.248 -5.584) 22.567 26.476 ( 0.270 0.837 1.797) 2.001 26.581 ( 0.113 -1.021 0.648) 1.214 26.600 ( -0.367 -0.488 -0.390) 0.725 26.699 ( 0.617 -2.120 0.145) 2.212 27.883 ( -0.942 6.610 1.890) 6.939 27.913 ( -1.398 5.332 1.206) 5.643 28.005 ( -0.719 5.420 -0.701) 5.512 28.310 ( 3.784 11.724 -12.748) 17.728 28.425 ( -0.433 5.925 5.026) 7.782 28.458 ( 2.139 4.404 10.468) 11.556 28.610 ( -7.213 -2.415 -3.916) 8.556 28.891 ( -1.013 -0.999 1.200) 1.861 28.953 ( -1.835 -0.400 -0.442) 1.930 29.114 ( -5.291 0.835 -4.229) 6.825 29.273 ( -3.183 -2.305 3.234) 5.090 29.422 ( -8.312 1.028 2.545) 8.754 29.452 ( 4.201 -1.242 -0.374) 4.397 29.772 ( 8.456 -12.505 0.029) 15.096 30.108 ( -3.130 1.029 0.457) 3.326 30.117 ( 0.703 1.295 0.859) 1.706 30.289 ( -2.374 5.495 -0.512) 6.007 30.374 ( 10.487 8.519 -2.637) 13.766 30.714 ( 0.473 -9.905 2.385) 10.199 30.960 ( 13.566 -1.308 -2.045) 13.782 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -24.966 23.486 4.613) 34.586 1.189 ( -24.396 25.408 14.060) 37.926 2.042 ( -36.097 34.304 23.697) 55.148 2.205 ( -0.238 -6.665 -2.866) 7.259 2.346 ( -2.391 -12.907 5.869) 14.379 2.513 ( 0.632 2.508 10.932) 11.234 2.890 ( 5.909 -0.678 -1.872) 6.236 2.902 ( 12.363 1.612 -1.757) 12.591 2.938 ( 0.751 -5.544 -7.489) 9.348 2.973 ( -4.037 -7.719 -4.662) 9.880 3.041 ( -0.950 -3.072 -5.390) 6.276 3.223 ( 9.130 -2.557 -1.328) 9.574 3.325 ( -0.504 -5.824 -3.522) 6.824 3.416 ( 0.595 -0.524 -6.434) 6.483 3.498 ( -0.466 -1.218 -6.619) 6.746 3.639 ( -1.146 -1.497 -4.056) 4.473 3.664 ( -1.369 17.978 0.076) 18.030 3.867 ( 14.977 -5.383 -2.097) 16.053 3.928 ( -4.259 -3.041 -4.254) 6.744 4.015 ( -8.434 5.276 0.796) 9.980 4.041 ( 2.512 -1.366 2.118) 3.558 4.162 ( -1.649 -4.248 -1.132) 4.695 4.196 ( 6.113 -2.786 -2.313) 7.105 4.294 ( -1.154 2.362 -0.702) 2.721 4.329 ( 1.199 3.575 -1.578) 4.087 4.415 ( 5.415 -2.224 4.662) 7.484 4.513 ( 0.626 -2.458 6.651) 7.118 4.539 ( 6.474 -0.877 -0.702) 6.570 4.601 ( 2.487 0.519 -1.730) 3.074 4.633 ( -1.569 -3.308 -2.364) 4.358 4.659 ( -3.338 1.062 4.514) 5.714 4.720 ( -1.165 4.722 -2.411) 5.428 4.788 ( 0.749 1.842 1.215) 2.331 4.823 ( 4.848 2.481 -3.444) 6.443 4.863 ( -2.209 -1.865 3.642) 4.650 4.944 ( 3.459 0.589 1.803) 3.945 4.999 ( -3.675 3.779 0.973) 5.361 5.073 ( -1.617 0.805 0.914) 2.024 5.160 ( -8.802 2.128 4.433) 10.083 5.218 ( -3.229 -0.827 5.704) 6.606 5.271 ( -9.571 3.522 2.590) 10.522 5.323 ( -8.807 -17.648 0.253) 19.725 5.448 ( -0.124 -0.968 6.317) 6.391 5.522 ( -1.755 1.240 -4.363) 4.864 5.695 ( 1.299 -5.279 0.594) 5.468 5.773 ( -4.098 -3.096 9.664) 10.944 5.835 ( 1.132 0.241 -6.962) 7.057 5.908 ( 2.804 -10.580 0.879) 10.980 6.023 ( 0.574 -5.854 -7.538) 9.562 6.091 ( 5.488 -4.286 4.693) 8.397 6.244 ( 2.406 -1.187 2.868) 3.927 6.329 ( 4.815 -8.246 -2.023) 9.761 6.394 ( 1.891 2.084 -2.828) 3.990 6.430 ( -0.517 3.182 -2.043) 3.816 6.529 ( -1.589 2.708 -4.899) 5.819 6.553 ( -1.437 4.726 2.354) 5.472 6.681 ( -3.943 -1.649 1.828) 4.648 6.734 ( 5.605 -1.045 -1.992) 6.039 6.774 ( 0.280 2.917 0.930) 3.074 6.862 ( 1.171 -0.857 2.043) 2.505 6.907 ( 2.404 3.782 -6.619) 7.993 6.974 ( -1.856 1.135 5.558) 5.969 7.016 ( -0.920 4.122 0.535) 4.257 7.068 ( 1.796 2.195 2.074) 3.514 7.087 ( -3.295 1.695 -4.265) 5.650 7.158 ( -1.681 8.134 -1.774) 8.493 7.199 ( -0.345 0.362 5.060) 5.085 7.243 ( 1.344 3.007 -0.828) 3.396 7.375 ( -7.437 -1.522 -1.586) 7.755 7.404 ( -1.877 -3.792 -1.192) 4.395 7.420 ( -2.939 -1.131 -1.726) 3.591 7.491 ( 2.652 -5.731 -6.474) 9.044 7.530 ( -1.769 2.945 -0.849) 3.539 7.571 ( -0.523 -1.422 1.155) 1.905 7.687 ( -2.748 -5.395 -1.018) 6.140 7.760 ( -3.472 -1.191 1.861) 4.115 7.802 ( 1.546 1.775 1.593) 2.843 7.850 ( 2.115 0.319 1.283) 2.494 7.909 ( 0.395 -1.178 -0.654) 1.405 7.990 ( 1.732 1.665 3.716) 4.425 8.077 ( 0.061 8.209 -2.285) 8.521 8.081 ( -2.109 3.173 -4.254) 5.711 8.150 ( 2.702 -0.088 -0.905) 2.851 8.192 ( 1.810 6.374 -1.143) 6.723 8.319 ( 7.261 8.511 -3.474) 11.714 8.326 ( -0.025 0.582 -1.527) 1.634 8.379 ( 0.789 0.649 -4.952) 5.056 8.476 ( 1.737 0.453 -6.410) 6.657 8.548 ( -1.493 1.154 0.412) 1.931 8.598 ( 4.380 -0.393 5.257) 6.854 8.620 ( 1.949 -2.488 -3.987) 5.087 8.673 ( -3.760 0.741 0.129) 3.834 8.795 ( 2.776 1.213 1.207) 3.261 8.809 ( 0.424 -0.955 1.672) 1.971 8.890 ( 2.240 4.471 0.661) 5.044 8.937 ( 2.374 -0.764 6.520) 6.981 9.021 ( -3.600 -2.625 2.050) 4.904 9.093 ( 2.159 -4.780 4.608) 6.982 9.173 ( 2.442 0.129 -2.743) 3.675 9.366 ( 11.470 4.650 4.916) 13.317 9.486 ( 6.654 1.488 -0.410) 6.831 9.559 ( 4.427 -5.582 3.658) 8.009 9.636 ( 3.839 -6.604 4.553) 8.893 9.680 ( 2.007 -0.186 -3.224) 3.802 9.814 ( 3.082 0.220 0.999) 3.247 9.854 ( 1.002 -0.611 5.968) 6.082 9.957 ( 2.629 -0.766 -0.027) 2.738 10.045 ( -5.224 -2.113 3.362) 6.562 10.062 ( 2.544 1.717 -0.387) 3.094 10.138 ( -1.329 1.152 1.546) 2.342 10.243 ( 2.768 1.997 2.129) 4.023 10.359 ( 6.337 0.414 5.448) 8.367 10.421 ( -3.418 0.287 -3.774) 5.100 10.511 ( -3.069 -1.552 -6.141) 7.038 10.610 ( 7.199 2.877 10.318) 12.906 10.696 ( -0.556 1.979 3.577) 4.125 10.791 ( 15.443 2.455 3.394) 16.001 10.883 ( 1.931 11.514 -7.760) 14.018 11.074 ( -6.543 -3.867 5.993) 9.679 11.288 ( 3.101 1.455 1.972) 3.952 11.394 ( -6.085 -2.432 -12.787) 14.368 11.618 ( 5.400 -6.098 3.204) 8.753 11.714 ( 7.102 -1.268 1.793) 7.434 11.994 ( 9.975 -4.535 -3.710) 11.568 12.490 ( 6.586 -1.073 -0.031) 6.673 12.560 ( 8.505 -1.316 -4.925) 9.916 12.732 ( 8.497 5.901 0.765) 10.373 12.899 ( 12.294 1.863 0.037) 12.434 13.542 ( -18.438 0.116 -2.840) 18.656 13.558 ( -21.667 -0.108 -1.403) 21.713 13.622 ( -22.869 3.847 2.609) 23.337 13.874 ( -9.658 0.436 -0.931) 9.712 13.969 ( -4.526 1.738 2.095) 5.281 14.125 ( -5.734 -2.727 0.708) 6.389 14.182 ( -10.520 -0.912 -1.761) 10.705 14.422 ( -26.787 -13.985 -6.296) 30.867 14.577 ( -4.593 0.973 1.001) 4.800 14.635 ( -5.656 -0.337 0.134) 5.667 14.671 ( -6.092 0.620 -0.253) 6.129 14.820 ( -23.228 -12.589 -8.883) 27.873 15.163 ( 0.971 2.356 0.672) 2.635 15.407 ( 1.468 -3.311 5.468) 6.559 15.550 ( -1.272 7.621 -13.704) 15.732 15.792 ( 1.192 -3.483 -1.581) 4.006 15.833 ( -0.151 -0.670 2.045) 2.158 15.934 ( -2.428 -1.103 0.667) 2.749 16.010 ( 1.807 -0.943 4.457) 4.901 16.157 ( 3.228 -0.630 -2.608) 4.197 18.696 ( 8.675 0.649 0.195) 8.702 18.797 ( 7.615 -2.249 -0.796) 7.980 18.827 ( 8.606 0.897 -1.096) 8.722 18.862 ( 7.437 0.177 0.674) 7.469 24.668 ( -1.884 2.191 -1.397) 3.209 24.716 ( -1.094 2.033 1.135) 2.572 24.898 ( -4.196 -2.473 1.791) 5.190 25.096 ( -17.818 -18.799 -9.658) 27.644 26.489 ( -0.207 0.748 1.771) 1.934 26.585 ( -0.853 -1.483 2.967) 3.425 26.606 ( 1.591 0.753 -1.811) 2.526 26.712 ( 0.491 -2.310 0.349) 2.387 27.863 ( -1.440 4.698 0.493) 4.938 27.902 ( -1.102 5.005 0.659) 5.167 27.991 ( -0.376 7.034 0.703) 7.079 28.244 ( -0.193 2.135 -8.946) 9.199 28.301 ( -4.133 -0.742 -2.557) 4.917 28.446 ( -5.316 4.752 -7.377) 10.260 28.848 ( 4.806 1.969 3.066) 6.031 28.894 ( 3.001 3.357 3.457) 5.677 28.922 ( -1.659 -0.919 -3.368) 3.866 29.055 ( 2.625 4.254 7.075) 8.663 29.273 ( 10.981 7.623 10.909) 17.253 29.345 ( -1.073 -0.064 3.774) 3.924 29.553 ( 5.334 -7.435 -0.334) 9.157 29.928 ( 6.135 -5.195 0.068) 8.039 30.045 ( -3.172 0.347 0.481) 3.227 30.110 ( -1.495 -1.534 0.437) 2.186 30.217 ( -3.334 1.414 -1.475) 3.910 30.453 ( -2.125 0.173 -7.047) 7.363 30.791 ( 3.473 -3.410 13.200) 14.069 31.236 ( 15.277 0.057 -2.130) 15.424 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.925 29.966 1.495) 30.018 1.761 ( -1.236 26.561 12.499) 29.381 1.916 ( 2.841 -10.278 -2.549) 10.964 2.154 ( -0.426 -0.067 8.352) 8.363 2.443 ( -1.933 -24.108 2.893) 24.358 2.476 ( 7.056 -25.436 11.671) 28.861 2.693 ( -0.374 21.361 19.557) 28.964 2.885 ( -1.488 -4.971 2.549) 5.781 3.020 ( 1.111 17.529 2.462) 17.736 3.082 ( 0.979 14.701 -1.601) 14.820 3.145 ( 0.675 -2.167 2.029) 3.044 3.239 ( 2.793 21.578 -8.038) 23.195 3.413 ( 3.981 0.294 -3.591) 5.370 3.439 ( 6.957 -6.828 -8.478) 12.919 3.495 ( 2.821 -1.371 -2.821) 4.219 3.674 ( 10.005 2.510 2.985) 10.738 3.761 ( -1.356 -1.703 -3.345) 3.991 3.805 ( -5.866 0.406 1.586) 6.090 3.830 ( -1.764 -4.074 -5.633) 7.172 3.981 ( -1.243 -3.258 -7.766) 8.513 4.018 ( -4.037 3.969 -10.711) 12.115 4.126 ( -5.308 -7.095 -4.381) 9.884 4.213 ( -0.802 1.908 -0.174) 2.077 4.232 ( -8.303 1.089 -2.292) 8.682 4.287 ( -3.589 -20.881 1.827) 21.266 4.325 ( 2.653 -3.781 1.357) 4.814 4.335 ( -5.969 -7.573 -2.199) 9.890 4.422 ( -3.905 -7.890 2.434) 9.133 4.570 ( -0.840 1.469 6.527) 6.742 4.622 ( -0.152 -3.876 4.531) 5.965 4.658 ( 4.368 2.374 -4.235) 6.531 4.664 ( 1.710 2.130 -6.740) 7.273 4.750 ( -2.559 5.033 2.369) 6.123 4.820 ( 2.118 -3.246 2.902) 4.842 4.900 ( 1.004 7.956 0.977) 8.078 4.981 ( -1.062 -0.730 1.464) 1.950 5.053 ( -3.742 5.700 -1.711) 7.030 5.072 ( -4.829 5.662 5.513) 9.261 5.162 ( 8.380 0.997 2.662) 8.849 5.212 ( -6.237 -6.379 7.039) 11.364 5.326 ( 2.078 3.983 2.979) 5.390 5.392 ( 3.158 -0.510 4.672) 5.662 5.419 ( 6.634 4.665 6.094) 10.145 5.572 ( 1.985 -5.250 6.726) 8.760 5.590 ( -7.203 -3.296 4.114) 8.926 5.695 ( -0.699 -11.977 5.584) 13.233 5.737 ( 0.951 0.943 1.411) 1.945 5.760 ( 0.485 2.086 -5.657) 6.049 6.003 ( -0.340 3.403 -3.663) 5.012 6.044 ( -0.317 -3.721 7.029) 7.959 6.237 ( 3.795 0.063 -3.648) 5.264 6.311 ( -0.992 -2.762 -11.233) 11.610 6.421 ( 2.607 3.185 -7.359) 8.432 6.455 ( 4.508 1.482 -7.109) 8.547 6.515 ( -1.034 2.104 2.317) 3.296 6.552 ( -4.047 -7.210 -11.658) 14.292 6.638 ( 1.962 1.682 -4.319) 5.033 6.646 ( 3.029 0.244 -5.437) 6.229 6.772 ( -0.361 -1.552 0.416) 1.647 6.835 ( -2.358 -6.645 -7.484) 10.282 6.906 ( -2.243 6.758 -6.151) 9.409 7.001 ( 0.033 1.048 -1.294) 1.665 7.017 ( -0.705 -0.462 1.145) 1.422 7.082 ( -1.451 -4.019 0.948) 4.377 7.139 ( -5.026 1.843 2.228) 5.798 7.157 ( -1.269 2.056 5.328) 5.850 7.206 ( -5.212 1.509 -0.703) 5.471 7.259 ( 0.558 -1.569 0.490) 1.736 7.355 ( -1.449 0.033 -0.838) 1.674 7.384 ( 1.139 -1.490 -1.062) 2.155 7.438 ( 2.062 1.160 -2.150) 3.197 7.462 ( 3.870 -0.945 -0.077) 3.984 7.576 ( 1.556 -0.679 6.420) 6.641 7.583 ( 6.447 0.708 4.330) 7.799 7.625 ( 0.011 2.555 4.225) 4.937 7.673 ( 0.607 -2.982 2.506) 3.942 7.862 ( -0.016 1.214 0.582) 1.347 7.884 ( -2.158 -0.177 -3.378) 4.012 7.954 ( 0.851 5.383 1.637) 5.690 8.006 ( -3.461 1.352 -0.392) 3.737 8.093 ( 0.595 2.874 2.341) 3.755 8.134 ( 3.713 -0.273 3.377) 5.027 8.225 ( -2.106 3.746 -4.095) 5.936 8.279 ( -0.688 -0.939 -4.218) 4.376 8.332 ( 1.272 4.325 -4.630) 6.462 8.397 ( 2.462 -2.757 -5.617) 6.725 8.421 ( 0.206 0.426 -1.443) 1.519 8.473 ( 0.389 -4.045 -2.199) 4.620 8.566 ( -0.595 1.931 0.204) 2.031 8.573 ( -1.694 1.082 1.188) 2.335 8.708 ( -0.573 6.903 5.689) 8.964 8.743 ( -2.648 2.077 3.714) 5.012 8.789 ( 3.518 3.296 3.737) 6.100 8.863 ( -2.296 1.325 2.537) 3.669 8.906 ( 2.155 -3.782 4.915) 6.566 8.945 ( -1.052 -5.018 0.528) 5.154 9.070 ( 1.084 1.662 2.997) 3.594 9.094 ( 1.471 -3.026 4.883) 5.930 9.225 ( -0.127 8.461 2.846) 8.927 9.427 ( 0.055 -6.955 0.651) 6.986 9.441 ( -0.456 -1.103 4.049) 4.222 9.511 ( -3.265 -6.552 2.905) 7.876 9.643 ( 0.259 -1.019 -4.133) 4.265 9.664 ( 1.385 -2.583 -2.529) 3.871 9.854 ( -3.797 2.055 5.299) 6.835 9.900 ( -2.473 -1.766 3.911) 4.952 10.015 ( 4.272 3.686 -1.202) 5.769 10.056 ( 5.648 -0.428 -0.789) 5.718 10.171 ( -0.088 3.126 -1.390) 3.422 10.190 ( 2.460 2.719 2.338) 4.349 10.254 ( -1.897 -3.604 -4.084) 5.768 10.294 ( -4.944 -4.732 -3.427) 7.654 10.352 ( 0.740 3.059 -0.387) 3.171 10.430 ( -2.225 -4.300 3.153) 5.778 10.726 ( -4.557 2.590 -0.698) 5.288 10.779 ( -5.799 -2.313 -0.128) 6.245 10.889 ( -1.354 3.047 -0.234) 3.343 10.983 ( 2.529 -5.981 0.870) 6.552 11.084 ( 1.359 8.700 -10.849) 13.973 11.226 ( 1.460 -5.450 -10.780) 12.167 11.493 ( 1.408 4.738 4.796) 6.887 11.606 ( -0.433 -6.409 2.339) 6.836 11.883 ( 1.576 2.090 3.166) 4.108 11.979 ( 1.937 -6.372 2.023) 6.960 12.579 ( 1.894 1.404 0.328) 2.380 12.618 ( 2.925 -2.145 -2.936) 4.667 13.036 ( 1.296 3.914 -0.847) 4.209 13.067 ( 1.803 0.615 -1.476) 2.410 13.326 ( -4.185 0.576 0.567) 4.262 13.332 ( -3.807 -0.093 0.668) 3.866 13.355 ( 1.996 0.968 0.451) 2.264 13.367 ( 3.078 -0.337 0.735) 3.182 13.946 ( -1.506 3.364 0.329) 3.700 13.992 ( -0.993 2.889 -0.696) 3.133 14.017 ( 0.479 -3.148 0.154) 3.188 14.054 ( 3.871 -2.842 -0.651) 4.846 14.572 ( -0.626 1.661 0.324) 1.804 14.580 ( -0.891 1.647 -0.397) 1.914 14.605 ( -0.562 -1.202 0.194) 1.341 14.614 ( 0.001 -1.149 -0.229) 1.172 15.263 ( -0.443 5.034 2.798) 5.776 15.361 ( -1.489 -4.820 4.546) 6.791 15.606 ( -0.821 5.577 -6.507) 8.609 15.694 ( -0.945 -4.186 -2.992) 5.231 15.849 ( -0.305 0.812 1.856) 2.048 15.880 ( -0.817 -2.229 2.827) 3.692 16.096 ( 1.429 3.411 -2.062) 4.234 16.154 ( 1.353 -2.460 -2.819) 3.979 18.808 ( 0.532 1.222 0.801) 1.555 18.838 ( 0.402 -1.822 0.375) 1.903 18.936 ( -0.324 0.888 -1.177) 1.510 18.947 ( -0.501 -0.103 -1.221) 1.324 24.702 ( 1.307 2.794 0.149) 3.088 24.736 ( -1.880 2.537 -0.759) 3.247 24.761 ( 1.116 -2.892 0.302) 3.115 24.793 ( -1.846 -2.918 -0.526) 3.493 26.519 ( -0.576 1.866 2.117) 2.880 26.559 ( -0.534 -2.126 2.753) 3.519 26.643 ( 0.808 1.412 -0.587) 1.730 26.677 ( 0.439 -2.138 0.189) 2.191 27.953 ( -0.631 6.205 0.200) 6.240 27.987 ( -1.353 5.965 -1.175) 6.228 28.077 ( 0.581 -2.025 1.615) 2.655 28.141 ( 1.000 -6.472 -0.765) 6.593 28.301 ( 0.594 7.498 1.918) 7.763 28.414 ( -1.171 -0.839 -0.815) 1.655 28.850 ( -1.022 -0.765 -2.704) 2.990 28.859 ( -1.172 -1.042 -1.905) 2.467 28.965 ( 2.043 1.526 0.602) 2.620 28.995 ( 0.506 -1.541 -0.355) 1.660 29.326 ( -0.804 0.373 -0.643) 1.095 29.373 ( -1.258 -4.978 -3.580) 6.260 29.946 ( 8.203 1.849 -1.095) 8.480 29.990 ( 1.328 -1.461 -2.491) 3.178 30.020 ( 4.587 0.621 -0.194) 4.632 30.038 ( 1.679 -1.403 -0.260) 2.204 30.121 ( -6.670 0.297 2.594) 7.163 30.159 ( -5.833 -4.331 1.402) 7.399 31.074 ( 0.184 10.736 6.838) 12.729 31.276 ( 0.532 -9.453 0.573) 9.485 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 10.591 20.734 3.796) 23.590 1.858 ( 4.828 -6.365 3.054) 8.553 2.002 ( 6.116 17.699 6.123) 19.702 2.255 ( 4.072 -0.143 5.337) 6.714 2.472 ( 3.572 -12.111 0.215) 12.628 2.686 ( 9.579 -19.573 0.992) 21.814 2.780 ( -2.830 5.850 6.055) 8.882 2.882 ( -2.040 -5.899 6.588) 9.075 3.032 ( -2.831 9.785 6.438) 12.051 3.085 ( -4.148 5.639 -14.154) 15.790 3.168 ( 0.486 -2.930 -5.639) 6.374 3.271 ( -10.611 -6.307 -5.663) 13.580 3.398 ( 1.006 6.013 5.625) 8.295 3.482 ( 12.149 26.510 7.454) 30.098 3.538 ( -9.368 1.823 -1.306) 9.633 3.647 ( -6.565 -0.257 -2.610) 7.069 3.695 ( 5.312 0.888 -0.805) 5.445 3.805 ( 1.502 -0.219 -5.338) 5.550 3.837 ( 6.232 -0.652 -4.330) 7.616 3.875 ( -7.374 7.214 -3.868) 11.017 3.966 ( -9.498 -2.043 -3.327) 10.269 4.035 ( 1.287 1.503 2.699) 3.347 4.111 ( -3.281 -2.621 6.133) 7.432 4.154 ( 2.115 -0.633 -2.479) 3.320 4.179 ( -0.985 -1.186 0.394) 1.591 4.290 ( 0.225 -6.720 -3.366) 7.519 4.383 ( 3.393 -6.576 -3.908) 8.369 4.442 ( 1.214 -21.527 -0.731) 21.574 4.569 ( -0.169 7.100 -1.458) 7.250 4.609 ( 1.465 0.121 8.527) 8.653 4.670 ( 0.353 -3.528 5.583) 6.614 4.677 ( 2.513 -3.015 1.402) 4.168 4.768 ( 0.301 3.514 2.876) 4.551 4.858 ( -0.433 -4.121 1.301) 4.343 4.955 ( -4.489 4.988 3.687) 7.656 5.008 ( 1.392 0.404 0.727) 1.621 5.021 ( 8.100 0.627 0.525) 8.141 5.039 ( -2.252 -4.397 1.362) 5.124 5.145 ( 4.375 8.394 2.052) 9.686 5.288 ( 4.898 -3.835 -1.052) 6.309 5.418 ( 1.172 5.618 7.236) 9.236 5.492 ( -0.536 4.730 4.942) 6.862 5.528 ( 0.670 4.327 -3.177) 5.410 5.568 ( 4.223 7.583 7.941) 11.764 5.664 ( 4.087 -8.677 1.711) 9.743 5.688 ( 3.984 -1.102 -4.548) 6.146 5.766 ( -2.562 -3.240 1.634) 4.442 5.793 ( 4.594 -7.248 -4.983) 9.923 6.000 ( -1.326 3.299 -0.862) 3.659 6.015 ( -2.435 -5.194 5.866) 8.204 6.190 ( -1.568 0.046 -5.558) 5.775 6.254 ( -0.353 -5.020 -2.508) 5.623 6.403 ( -3.487 8.090 -5.068) 10.164 6.452 ( 3.862 -1.817 -9.666) 10.566 6.496 ( 1.624 2.281 -8.240) 8.702 6.558 ( -1.434 1.964 2.218) 3.292 6.631 ( 4.693 -5.174 -5.425) 8.845 6.665 ( 5.104 -8.994 -16.508) 19.479 6.742 ( 0.604 1.544 1.016) 1.944 6.780 ( 3.878 -2.372 2.897) 5.391 6.900 ( -3.753 3.754 2.329) 5.797 6.936 ( -5.656 5.649 -1.805) 8.195 7.040 ( 5.525 -4.823 -1.053) 7.409 7.069 ( -0.339 -2.447 0.115) 2.473 7.094 ( -1.429 -2.092 -1.221) 2.812 7.117 ( -1.436 -6.392 -2.803) 7.126 7.205 ( 0.028 5.083 4.370) 6.703 7.255 ( -3.839 -0.911 -0.469) 3.974 7.300 ( 1.979 0.534 1.334) 2.445 7.354 ( -2.042 -3.498 -0.049) 4.051 7.453 ( 0.245 1.422 -3.764) 4.031 7.490 ( 0.058 -1.423 -2.679) 3.033 7.587 ( -2.994 5.026 1.630) 6.073 7.650 ( -1.628 0.493 4.817) 5.108 7.719 ( -1.852 -1.856 1.680) 3.114 7.734 ( 1.006 -2.609 6.094) 6.705 7.833 ( 0.666 2.927 6.348) 7.022 7.865 ( -0.837 0.843 0.545) 1.308 7.961 ( 0.544 4.197 2.921) 5.142 8.012 ( -0.718 -0.007 -2.481) 2.583 8.091 ( -2.022 1.466 -8.469) 8.829 8.125 ( -1.793 -0.569 -2.673) 3.268 8.227 ( 4.179 5.867 -0.340) 7.211 8.269 ( -0.216 1.853 1.754) 2.561 8.344 ( 3.528 5.847 -2.035) 7.126 8.418 ( 3.617 -1.686 -2.948) 4.961 8.419 ( 3.555 -2.566 -4.275) 6.124 8.448 ( -1.452 -2.958 4.052) 5.222 8.534 ( -4.589 5.783 1.556) 7.545 8.577 ( -3.310 1.849 1.149) 3.962 8.704 ( -0.259 4.369 0.308) 4.388 8.722 ( -1.113 2.518 2.418) 3.664 8.808 ( -1.917 1.549 0.193) 2.472 8.839 ( -7.312 0.264 0.508) 7.334 8.851 ( -3.275 1.207 4.785) 5.923 8.971 ( -1.463 -3.448 4.820) 6.104 9.067 ( -3.183 3.043 1.713) 4.725 9.126 ( -1.936 -4.247 2.006) 5.080 9.230 ( -1.643 3.057 3.893) 5.216 9.359 ( -6.069 -5.865 -1.551) 8.581 9.428 ( -4.460 -3.744 6.405) 8.656 9.462 ( -4.191 -5.098 7.033) 9.645 9.628 ( 0.645 1.109 -3.953) 4.156 9.672 ( -0.091 -2.772 -2.066) 3.458 9.796 ( -4.515 2.774 3.473) 6.336 9.864 ( -2.949 -3.960 2.920) 5.737 10.034 ( -0.163 2.092 -1.265) 2.450 10.062 ( -2.281 -0.343 -2.460) 3.372 10.170 ( -2.005 2.350 1.276) 3.342 10.207 ( -3.087 -0.463 4.154) 5.196 10.274 ( 0.357 2.392 2.315) 3.348 10.317 ( 6.533 -0.091 1.488) 6.701 10.343 ( 1.221 -0.841 -6.819) 6.978 10.376 ( -7.841 -6.082 2.272) 10.181 10.432 ( -11.789 7.061 -6.235) 15.090 10.562 ( -7.701 -5.361 -1.709) 9.538 10.850 ( -3.278 2.858 -1.575) 4.626 10.895 ( -6.465 -1.575 -1.189) 6.760 11.061 ( 4.531 10.467 -4.911) 12.418 11.286 ( 6.514 -11.559 -3.070) 13.619 11.491 ( -2.017 0.856 2.446) 3.284 11.544 ( -2.693 -4.502 -0.092) 5.247 11.833 ( -7.590 4.656 4.090) 9.799 11.922 ( -7.393 -4.031 1.440) 8.542 12.555 ( -3.854 2.100 -0.800) 4.462 12.597 ( -2.803 -1.800 -2.912) 4.425 12.830 ( -13.185 4.808 -0.538) 14.045 12.895 ( -11.787 -1.337 0.102) 11.863 13.567 ( 20.374 3.876 -3.107) 20.971 13.654 ( 21.764 -3.848 -1.754) 22.171 13.714 ( 23.661 0.342 2.626) 23.809 13.742 ( 23.695 -2.823 1.180) 23.892 13.976 ( 7.865 3.086 0.196) 8.452 14.039 ( 9.652 -3.179 -0.147) 10.163 14.207 ( 16.320 1.951 -1.148) 16.476 14.249 ( 14.372 -2.233 -0.152) 14.545 14.567 ( 0.493 0.410 -0.044) 0.642 14.579 ( 0.750 -0.707 -0.234) 1.057 14.686 ( 10.503 1.347 -1.215) 10.659 14.707 ( 10.504 -0.862 -1.741) 10.682 15.251 ( -2.873 3.925 3.620) 6.063 15.331 ( -4.950 -4.013 5.241) 8.250 15.540 ( -1.347 6.901 -5.825) 9.131 15.650 ( -1.459 -5.001 -2.924) 5.974 15.837 ( -2.235 1.608 0.894) 2.894 15.882 ( -0.713 -2.939 1.751) 3.495 16.102 ( 0.842 2.427 -1.923) 3.208 16.149 ( 0.205 -2.295 -2.191) 3.179 18.749 ( -7.001 1.305 1.204) 7.223 18.776 ( -6.717 -1.217 -0.427) 6.840 18.820 ( -9.971 0.014 -0.503) 9.984 18.825 ( -10.446 -0.285 -0.868) 10.486 24.705 ( -0.534 3.055 -1.378) 3.394 24.765 ( 1.850 -1.483 -0.706) 2.475 24.779 ( 3.569 1.909 0.111) 4.049 24.863 ( 8.058 -5.288 -0.349) 9.644 26.517 ( -1.142 2.316 1.851) 3.177 26.564 ( -0.918 -2.497 2.667) 3.767 26.649 ( 0.207 1.506 -0.551) 1.617 26.683 ( 0.022 -2.021 0.214) 2.032 27.953 ( 0.551 5.646 -0.031) 5.673 27.986 ( 1.507 4.509 0.336) 4.766 28.112 ( 2.126 1.661 0.429) 2.732 28.203 ( 5.586 -6.734 0.222) 8.752 28.328 ( 0.497 5.845 1.501) 6.055 28.370 ( -1.966 3.909 -1.651) 4.677 28.810 ( -1.357 -0.801 -2.228) 2.729 28.840 ( 0.805 -4.241 -1.339) 4.520 29.045 ( 4.472 0.249 -0.421) 4.499 29.054 ( 4.889 0.071 -1.405) 5.087 29.307 ( -0.235 -1.059 -0.995) 1.473 29.324 ( -0.622 -2.817 -1.626) 3.311 29.763 ( -13.670 2.366 3.762) 14.375 29.834 ( -11.254 -5.075 1.094) 12.394 30.072 ( 1.390 0.837 1.345) 2.107 30.082 ( 1.191 -0.333 0.783) 1.464 30.231 ( 6.999 0.891 -0.939) 7.118 30.282 ( 11.853 -4.107 -2.896) 12.875 31.004 ( -11.665 8.473 5.706) 15.506 31.157 ( -11.958 -6.644 -0.100) 13.680 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 11.715 10.707 3.467) 16.245 1.979 ( 6.547 -3.571 -2.103) 7.749 2.165 ( 5.056 5.819 3.741) 8.569 2.300 ( -0.939 -5.386 -2.937) 6.206 2.603 ( -9.816 6.201 0.323) 11.615 2.635 ( 2.767 6.515 1.614) 7.260 2.712 ( -13.090 -2.703 -3.236) 13.753 2.799 ( -9.147 3.809 -3.059) 10.370 2.880 ( -4.755 -5.481 6.057) 9.452 2.967 ( -0.154 -4.039 -5.732) 7.014 3.095 ( 0.567 -7.269 0.342) 7.299 3.135 ( -7.146 -9.291 2.080) 11.905 3.286 ( -1.133 1.867 1.233) 2.508 3.351 ( -2.455 -5.028 -8.094) 9.839 3.541 ( -2.733 3.669 10.018) 11.013 3.556 ( -10.943 -0.434 -4.144) 11.709 3.668 ( -7.059 -0.271 -7.730) 10.472 3.759 ( 0.987 -4.430 -1.155) 4.683 3.796 ( -11.233 7.081 -2.620) 13.534 3.844 ( 5.046 9.850 -2.868) 11.432 3.900 ( -7.056 -2.603 -5.445) 9.285 4.012 ( -0.119 -5.288 -8.104) 9.677 4.211 ( 9.553 5.453 -2.998) 11.401 4.280 ( 4.615 7.061 4.198) 9.422 4.322 ( 13.530 4.467 6.881) 15.823 4.343 ( 3.503 3.142 11.427) 12.358 4.432 ( 2.226 -4.287 -5.093) 7.019 4.492 ( 9.133 1.185 16.659) 19.035 4.622 ( -6.513 1.516 6.441) 9.285 4.663 ( -6.577 -1.190 3.514) 7.551 4.666 ( 5.420 3.652 3.000) 7.191 4.786 ( 3.725 -1.335 4.427) 5.937 4.820 ( 0.817 -2.390 2.493) 3.549 4.901 ( 7.718 -9.029 -1.050) 11.925 5.018 ( 10.929 2.296 0.866) 11.201 5.050 ( 9.162 -2.566 6.588) 11.573 5.133 ( 7.042 3.410 -2.523) 8.221 5.209 ( 9.132 -0.096 -0.902) 9.177 5.257 ( 5.228 10.554 -7.084) 13.744 5.391 ( -6.619 1.536 5.097) 8.494 5.412 ( 5.200 -0.166 2.411) 5.734 5.493 ( 4.416 -2.703 -1.455) 5.378 5.526 ( -1.116 -6.667 -5.496) 8.712 5.581 ( -4.254 -2.042 5.463) 7.219 5.701 ( 2.197 -0.947 -10.521) 10.790 5.710 ( -0.491 2.429 0.222) 2.488 5.838 ( 11.913 6.263 -2.651) 13.717 5.931 ( 6.394 0.092 2.960) 7.046 5.933 ( 2.991 -2.262 -1.662) 4.102 6.045 ( -1.028 -4.565 4.634) 6.586 6.188 ( -3.589 -0.572 2.728) 4.544 6.222 ( -3.763 -5.528 4.124) 7.856 6.320 ( -4.575 3.574 -5.363) 7.904 6.373 ( 4.521 -3.964 -5.960) 8.466 6.418 ( -1.932 5.183 -4.700) 7.259 6.590 ( -2.920 -6.681 -1.990) 7.558 6.624 ( 3.948 5.300 -0.576) 6.634 6.749 ( -6.266 6.432 -1.844) 9.167 6.779 ( 4.890 -4.534 0.090) 6.669 6.806 ( 2.176 -0.097 -3.927) 4.490 6.852 ( 0.789 2.002 0.372) 2.183 6.893 ( 0.813 -0.286 0.726) 1.127 6.984 ( -3.491 0.245 -3.782) 5.153 7.057 ( -0.655 -4.555 -4.382) 6.354 7.091 ( -0.508 0.618 -2.015) 2.168 7.172 ( -0.240 -1.227 1.065) 1.642 7.214 ( 0.622 -4.726 1.147) 4.903 7.227 ( -1.115 -3.680 -1.049) 3.986 7.259 ( 0.381 2.818 -0.662) 2.920 7.373 ( -2.738 -4.666 0.147) 5.412 7.412 ( 1.668 -0.186 -3.297) 3.699 7.463 ( 4.502 -3.714 0.802) 5.892 7.587 ( -1.019 4.436 0.839) 4.628 7.622 ( -2.353 0.784 -0.164) 2.486 7.701 ( -3.591 1.926 2.149) 4.607 7.749 ( -2.367 -3.575 2.078) 4.765 7.789 ( -6.016 0.831 0.370) 6.085 7.819 ( -3.601 -2.015 4.081) 5.804 7.931 ( -1.192 0.920 -0.896) 1.752 7.970 ( -1.326 -2.566 -4.845) 5.641 8.027 ( 0.417 3.882 0.597) 3.950 8.099 ( -1.218 -2.643 0.503) 2.953 8.235 ( -2.173 7.429 -1.627) 7.910 8.287 ( -2.861 2.016 2.215) 4.142 8.359 ( -6.869 7.711 3.058) 10.770 8.416 ( -2.256 1.042 -3.835) 4.570 8.418 ( -3.835 3.617 -4.890) 7.190 8.472 ( -0.191 0.221 0.935) 0.980 8.489 ( 1.939 -2.208 -0.179) 2.944 8.511 ( 0.979 0.287 -1.440) 1.765 8.671 ( -4.175 3.511 0.042) 5.455 8.706 ( -1.802 1.442 2.556) 3.444 8.729 ( 1.246 0.574 3.360) 3.629 8.782 ( -3.747 -2.100 1.301) 4.489 8.865 ( 3.317 2.563 -0.539) 4.226 8.937 ( -3.937 -1.644 1.642) 4.572 8.999 ( -4.170 1.378 2.791) 5.203 9.053 ( -4.156 -2.663 -0.505) 4.962 9.192 ( -4.584 -0.949 0.790) 4.748 9.214 ( -7.949 -2.240 -0.279) 8.264 9.389 ( -4.196 -1.088 5.608) 7.088 9.410 ( -6.760 -3.610 7.575) 10.776 9.575 ( -4.657 0.156 -2.566) 5.319 9.617 ( -4.901 -3.662 -1.211) 6.237 9.721 ( -2.926 3.332 -0.581) 4.473 9.797 ( -4.601 -3.952 0.632) 6.098 9.971 ( -3.673 4.255 5.228) 7.677 10.032 ( 0.200 -1.359 3.788) 4.029 10.083 ( -4.849 2.460 0.118) 5.439 10.137 ( -2.199 -1.618 1.458) 3.095 10.274 ( 4.459 1.039 -4.718) 6.575 10.284 ( 3.915 0.596 -0.756) 4.031 10.446 ( 5.380 1.417 -2.828) 6.241 10.461 ( 7.566 -1.150 -2.496) 8.049 10.486 ( 6.758 1.244 6.434) 9.414 10.520 ( 2.044 -2.545 3.087) 4.493 10.829 ( 1.606 0.588 -0.473) 1.775 10.843 ( 1.809 -0.316 -1.440) 2.333 11.106 ( 1.074 9.934 -2.271) 10.247 11.284 ( -4.448 -6.347 -0.098) 7.751 11.436 ( -3.680 1.312 0.882) 4.005 11.538 ( -1.618 -8.727 -4.635) 10.013 11.699 ( -8.205 4.091 3.035) 9.657 11.819 ( -0.500 -8.468 -0.768) 8.517 12.444 ( -5.675 1.876 -3.130) 6.747 12.489 ( -5.657 -2.624 -3.937) 7.375 12.601 ( -9.297 5.828 -1.448) 11.068 12.682 ( -9.907 -2.168 -0.259) 10.145 13.890 ( 14.375 2.364 -3.014) 14.877 13.947 ( 11.786 -3.779 -3.262) 12.800 14.015 ( 7.193 4.340 2.852) 8.872 14.088 ( 11.535 -3.238 3.053) 12.364 14.228 ( 15.434 4.512 0.134) 16.081 14.320 ( 11.361 -4.171 -1.445) 12.188 14.459 ( 7.551 1.146 1.533) 7.790 14.479 ( 7.515 -1.019 1.189) 7.676 14.671 ( 12.786 1.192 0.131) 12.842 14.702 ( 10.908 -1.867 0.642) 11.085 14.948 ( 17.046 3.271 -2.202) 17.496 14.975 ( 15.505 0.603 -3.189) 15.841 15.234 ( 0.662 -0.142 3.638) 3.700 15.259 ( -5.096 -2.119 5.302) 7.653 15.482 ( -1.868 6.175 -2.383) 6.877 15.600 ( -1.743 -6.214 -2.674) 6.985 15.794 ( -1.880 4.015 0.481) 4.459 15.880 ( 0.291 -4.625 -0.194) 4.639 16.101 ( 0.313 1.768 -1.980) 2.673 16.138 ( -0.126 -1.923 -1.565) 2.483 18.559 ( -12.836 1.346 -0.069) 12.907 18.591 ( -11.860 -1.695 -0.842) 12.010 18.596 ( -9.187 1.735 -0.054) 9.349 18.642 ( -8.451 -3.003 0.612) 8.989 24.700 ( 0.715 3.957 -0.402) 4.041 24.785 ( 1.768 -4.723 0.211) 5.047 24.879 ( 4.878 5.667 -0.155) 7.479 25.014 ( 7.644 -8.324 -1.504) 11.401 26.503 ( -1.272 2.714 1.428) 3.320 26.559 ( -1.242 -2.985 2.169) 3.893 26.645 ( -0.173 1.703 -0.650) 1.831 26.680 ( -0.345 -1.905 -0.108) 1.939 27.974 ( 1.222 6.308 0.840) 6.480 28.035 ( 2.278 2.010 1.965) 3.618 28.161 ( 2.481 8.411 1.007) 8.827 28.281 ( -3.234 5.790 -0.832) 6.685 28.331 ( 5.913 -1.831 -2.708) 6.757 28.405 ( 6.432 -4.682 1.005) 8.019 28.779 ( -0.679 0.361 -1.640) 1.811 28.850 ( 0.179 -6.520 -0.163) 6.525 29.026 ( -4.872 -0.334 -1.524) 5.116 29.077 ( -2.423 -3.999 -4.217) 6.296 29.364 ( 6.945 2.671 -0.710) 7.475 29.408 ( 8.334 -1.732 -0.161) 8.514 29.579 ( -7.373 3.161 6.576) 10.373 29.662 ( -7.039 -5.708 3.161) 9.598 30.103 ( -0.602 0.651 0.808) 1.200 30.113 ( 1.398 -0.297 0.592) 1.547 30.335 ( 4.317 5.057 -1.051) 6.732 30.434 ( 6.150 -3.626 -2.901) 7.706 30.750 ( -16.152 5.537 3.041) 17.343 30.879 ( -14.709 -6.315 -1.565) 16.084 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 2.801 4.616 0.385) 5.413 2.051 ( 4.381 -2.313 -0.691) 5.002 2.217 ( -7.651 1.675 1.600) 7.994 2.279 ( 4.897 -1.118 -5.742) 7.629 2.311 ( -4.289 0.093 0.592) 4.331 2.363 ( -9.867 -6.178 5.825) 13.018 2.717 ( -3.785 9.951 10.786) 15.156 2.866 ( 4.710 -0.572 -3.330) 5.797 2.914 ( 1.642 -4.278 -3.860) 5.991 2.954 ( 2.580 -5.497 4.268) 7.422 3.045 ( 3.723 11.004 7.764) 13.973 3.144 ( -10.498 2.517 -3.130) 11.240 3.226 ( -8.924 -2.799 -0.922) 9.398 3.318 ( 1.185 -4.780 -2.045) 5.332 3.380 ( -6.857 -10.990 8.701) 15.605 3.430 ( -5.001 -6.431 -2.508) 8.524 3.567 ( 3.432 8.966 -12.123) 15.464 3.695 ( 6.997 -1.783 -6.418) 9.661 3.783 ( 2.986 -2.060 2.671) 4.505 3.807 ( 1.349 -4.853 2.381) 5.571 3.925 ( 3.197 4.728 -0.780) 5.761 3.988 ( 2.555 -0.497 -7.677) 8.107 4.146 ( -3.128 5.671 -2.623) 6.987 4.302 ( -5.138 -7.842 -1.863) 9.559 4.398 ( 0.633 2.697 -5.799) 6.427 4.455 ( -5.753 3.916 6.520) 9.536 4.471 ( 0.259 -2.106 -4.237) 4.738 4.545 ( -4.472 -3.414 7.307) 9.222 4.626 ( 4.031 12.418 7.206) 14.912 4.737 ( 4.095 2.878 3.590) 6.159 4.799 ( 2.878 3.328 3.907) 5.884 4.864 ( 4.132 1.933 -1.686) 4.864 4.976 ( -0.304 -2.512 -2.408) 3.493 5.030 ( 9.189 -4.265 2.821) 10.516 5.093 ( -0.148 4.440 -3.376) 5.580 5.210 ( 0.847 -1.939 -3.781) 4.333 5.220 ( -3.080 11.865 -5.490) 13.432 5.277 ( 2.911 -2.920 0.248) 4.130 5.311 ( -0.567 2.529 3.339) 4.227 5.364 ( 2.243 2.666 2.028) 4.031 5.460 ( 2.257 0.270 7.139) 7.492 5.484 ( -0.740 -3.987 3.028) 5.061 5.600 ( 6.071 -6.283 -3.330) 9.350 5.622 ( 1.569 -4.072 6.470) 7.804 5.700 ( 8.051 3.337 -7.367) 11.412 5.778 ( 4.371 -1.732 1.626) 4.975 5.926 ( -1.730 3.751 4.953) 6.450 5.944 ( -7.620 5.254 -2.611) 9.617 6.029 ( -8.538 2.717 -1.501) 9.085 6.047 ( 2.131 1.105 3.176) 3.981 6.129 ( 7.790 -0.177 -0.791) 7.832 6.220 ( -0.333 -0.225 -3.042) 3.069 6.260 ( 3.747 -3.249 6.118) 7.876 6.356 ( -3.898 -6.604 -0.077) 7.669 6.515 ( 3.694 0.247 -2.198) 4.306 6.546 ( -0.386 6.859 2.218) 7.219 6.640 ( -3.824 2.755 1.404) 4.918 6.690 ( 5.028 -1.949 -4.268) 6.877 6.740 ( 3.443 0.703 -0.705) 3.584 6.819 ( 1.956 -3.121 -5.672) 6.763 6.860 ( 1.635 -0.710 0.775) 1.944 6.889 ( -4.322 -2.092 -4.193) 6.375 6.981 ( -0.069 1.236 -2.460) 2.754 6.999 ( 1.742 5.756 1.004) 6.097 7.050 ( -1.942 -3.727 -0.360) 4.218 7.122 ( -1.137 -2.255 -2.748) 3.732 7.166 ( -1.581 -0.519 2.428) 2.944 7.235 ( 2.486 -4.636 0.820) 5.324 7.353 ( 4.126 -3.507 0.013) 5.415 7.402 ( 6.505 -5.812 2.081) 8.968 7.454 ( -0.373 0.840 -1.471) 1.735 7.508 ( -2.941 2.873 -1.194) 4.281 7.542 ( -0.748 -4.073 0.833) 4.224 7.564 ( -2.918 -1.221 -0.191) 3.169 7.642 ( -3.706 3.437 -1.264) 5.210 7.687 ( -3.066 -0.198 3.903) 4.967 7.739 ( 0.435 -0.170 2.043) 2.096 7.773 ( -4.388 -3.517 5.030) 7.545 7.920 ( -1.590 -0.190 -4.320) 4.607 7.947 ( 1.156 -2.591 -2.527) 3.799 8.038 ( -0.553 2.197 -0.992) 2.473 8.080 ( -0.311 -1.531 0.336) 1.598 8.139 ( -7.997 2.941 0.443) 8.532 8.153 ( -5.228 2.452 -0.531) 5.799 8.300 ( 0.782 4.868 -2.314) 5.446 8.322 ( 2.611 3.903 -5.692) 7.379 8.379 ( -0.792 0.342 -0.392) 0.947 8.409 ( 2.323 -2.563 -7.622) 8.370 8.526 ( -0.221 5.074 0.893) 5.157 8.587 ( 1.778 -0.521 2.954) 3.487 8.635 ( -3.298 2.491 -1.789) 4.503 8.690 ( 1.793 0.406 -1.713) 2.513 8.708 ( -2.183 1.444 4.020) 4.797 8.756 ( -1.565 -2.253 1.325) 3.046 8.831 ( -6.202 -0.610 -1.286) 6.364 8.865 ( -5.542 -4.835 2.072) 7.641 8.988 ( -0.660 4.908 5.409) 7.334 9.072 ( 4.830 -0.665 2.999) 5.724 9.089 ( -0.983 -0.586 -3.959) 4.121 9.133 ( -1.257 -3.025 -0.460) 3.308 9.296 ( -8.541 1.412 4.688) 9.845 9.344 ( -4.305 -2.172 3.884) 6.191 9.468 ( -3.273 1.282 -1.630) 3.874 9.534 ( -2.048 -4.297 -0.715) 4.813 9.710 ( 1.391 2.385 -2.049) 3.438 9.755 ( -0.250 -1.817 -1.492) 2.364 9.940 ( -2.898 6.763 1.785) 7.571 10.043 ( -2.136 -2.557 1.551) 3.675 10.098 ( 1.479 0.225 8.270) 8.405 10.138 ( 0.341 -3.190 6.743) 7.468 10.352 ( 4.908 2.353 -2.770) 6.107 10.384 ( 5.297 0.338 -0.888) 5.381 10.509 ( 1.315 1.689 0.025) 2.141 10.520 ( 1.662 -0.890 -2.753) 3.337 10.617 ( 2.942 2.512 3.972) 5.544 10.656 ( 4.758 -1.602 6.054) 7.865 10.866 ( 0.756 1.046 1.890) 2.289 10.897 ( 2.283 -1.885 2.142) 3.655 11.093 ( 1.267 7.162 -3.031) 7.880 11.194 ( -2.471 -3.296 -1.203) 4.292 11.372 ( -3.545 -0.169 -0.088) 3.550 11.417 ( -4.792 -5.571 -2.329) 7.709 11.589 ( -4.462 8.693 0.252) 9.775 11.846 ( 2.648 -17.651 -5.911) 18.802 12.326 ( -2.956 1.470 -5.262) 6.212 12.357 ( -3.827 -1.468 -5.245) 6.656 12.478 ( -2.113 4.527 -2.593) 5.629 12.542 ( -3.580 -1.779 -1.638) 4.320 14.059 ( 3.003 2.777 0.331) 4.103 14.088 ( 4.574 1.203 -0.164) 4.732 14.138 ( 5.796 0.553 -1.477) 6.007 14.200 ( 0.448 -3.879 0.306) 3.917 14.407 ( 4.946 3.145 -2.492) 6.369 14.466 ( 5.967 -2.751 -2.504) 7.032 14.541 ( 1.833 3.655 3.896) 5.648 14.621 ( 2.956 -4.158 2.622) 5.736 14.831 ( 1.588 2.561 0.885) 3.141 14.887 ( 5.075 -2.314 1.955) 5.910 15.136 ( 4.909 2.580 -1.038) 5.642 15.161 ( 3.847 0.569 0.961) 4.006 15.282 ( 1.866 2.445 4.886) 5.773 15.308 ( -0.392 0.425 0.329) 0.665 15.484 ( 3.273 2.892 4.551) 6.308 15.577 ( 3.129 -6.429 -3.229) 7.845 15.790 ( 0.554 4.857 0.898) 4.970 15.889 ( 1.195 -4.938 -3.059) 5.930 16.089 ( 0.078 1.713 -2.051) 2.673 16.124 ( -0.067 -1.898 -1.493) 2.416 18.364 ( -6.152 1.867 0.483) 6.447 18.414 ( -4.893 -2.429 -0.566) 5.492 18.459 ( -4.222 1.647 0.164) 4.535 18.519 ( -3.791 -4.170 -0.307) 5.644 24.725 ( 1.251 4.830 1.631) 5.249 24.830 ( 1.596 -5.964 2.732) 6.751 24.941 ( 1.799 7.313 -1.281) 7.640 25.117 ( 3.962 -10.892 -1.733) 11.719 26.493 ( -0.753 2.721 1.403) 3.153 26.549 ( -1.097 -3.066 1.760) 3.702 26.634 ( -0.323 1.664 -1.128) 2.036 26.669 ( -0.504 -1.861 -0.781) 2.080 28.005 ( 0.904 7.169 2.217) 7.558 28.074 ( -0.006 1.208 2.174) 2.487 28.189 ( -1.854 8.208 -1.297) 8.514 28.248 ( 1.320 6.582 3.741) 7.685 28.408 ( 6.609 3.844 -6.043) 9.746 28.596 ( 8.876 -10.626 3.369) 14.250 28.743 ( -2.520 -0.921 -1.062) 2.885 28.803 ( -5.824 -6.647 1.722) 9.004 28.938 ( -0.721 0.294 -3.176) 3.270 28.983 ( -2.011 -3.865 -3.359) 5.501 29.399 ( -4.157 0.890 -1.177) 4.411 29.419 ( -1.593 -1.099 -4.200) 4.624 29.683 ( 4.493 0.879 6.411) 7.878 29.702 ( 7.643 -0.668 4.728) 9.012 30.039 ( -4.962 3.665 -0.341) 6.178 30.097 ( -2.778 -2.279 -0.866) 3.697 30.368 ( -0.705 7.244 -0.136) 7.279 30.463 ( -0.905 7.697 -1.978) 7.998 30.544 ( -4.280 -6.373 0.660) 7.705 30.667 ( -4.080 -8.603 -2.668) 9.889 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -0.354 4.554 0.115) 4.570 2.123 ( -2.925 -6.535 0.753) 7.199 2.181 ( 1.962 9.220 -2.244) 9.690 2.346 ( 6.667 -4.652 5.472) 9.800 2.357 ( 10.292 0.746 1.966) 10.505 2.489 ( 13.605 -9.865 -5.369) 17.642 2.577 ( -17.517 10.588 13.899) 24.742 2.793 ( -11.155 -6.099 3.717) 13.245 2.817 ( -12.642 8.399 1.718) 15.275 2.999 ( 1.245 2.203 -0.733) 2.634 3.040 ( -8.499 -7.275 -5.645) 12.531 3.059 ( 6.485 -6.265 4.320) 9.999 3.142 ( 9.912 6.382 -4.066) 12.470 3.286 ( 2.439 -7.051 -1.826) 7.681 3.451 ( 11.774 -1.200 9.643) 15.266 3.542 ( 9.831 -5.890 2.667) 11.767 3.667 ( 5.290 3.877 -11.833) 13.530 3.765 ( 2.526 -2.050 -7.866) 8.512 3.853 ( 6.585 -1.238 1.549) 6.877 3.903 ( -0.357 -1.544 1.332) 2.070 3.974 ( 4.651 0.169 1.995) 5.064 4.014 ( 2.900 -1.718 -1.355) 3.632 4.115 ( -0.453 4.550 -3.492) 5.753 4.209 ( -0.054 -3.811 -6.807) 7.802 4.314 ( -2.667 3.702 -0.974) 4.666 4.339 ( -3.059 0.790 -4.240) 5.288 4.477 ( -3.540 5.948 3.861) 7.926 4.555 ( -1.069 -1.235 5.272) 5.519 4.639 ( -8.526 10.360 3.231) 13.801 4.749 ( -3.150 4.166 0.608) 5.258 4.814 ( -4.550 4.140 -4.606) 7.685 4.821 ( -3.253 6.726 7.080) 10.293 4.863 ( 0.374 -1.140 -11.425) 11.488 5.024 ( -6.748 1.339 2.064) 7.183 5.089 ( -6.227 1.176 0.343) 6.346 5.109 ( -2.902 0.259 -1.757) 3.403 5.186 ( -5.228 -1.293 -4.658) 7.121 5.216 ( -0.513 -6.513 4.107) 7.717 5.287 ( -1.808 1.734 0.705) 2.602 5.442 ( 2.295 1.377 3.460) 4.374 5.463 ( -8.495 -6.900 2.620) 11.254 5.529 ( -1.465 -1.609 4.317) 4.834 5.622 ( -1.095 3.764 -0.252) 3.929 5.684 ( -3.602 -5.712 -3.585) 7.646 5.703 ( -4.213 1.035 3.558) 5.611 5.752 ( -3.684 -4.517 -3.110) 6.606 5.856 ( -1.133 3.654 2.417) 4.525 5.909 ( 2.549 0.793 -3.916) 4.739 5.967 ( -8.953 -2.296 0.403) 9.251 5.999 ( -2.319 -2.918 0.496) 3.760 6.132 ( -3.876 2.093 5.929) 7.386 6.204 ( -2.550 -2.581 1.596) 3.964 6.294 ( -0.506 3.299 -1.051) 3.499 6.347 ( 1.844 -2.169 3.353) 4.399 6.488 ( -4.557 1.073 1.659) 4.967 6.512 ( 1.287 -0.797 0.021) 1.514 6.705 ( 4.258 5.595 -1.920) 7.289 6.795 ( 6.661 3.557 -0.883) 7.603 6.814 ( 3.982 2.132 -0.246) 4.524 6.870 ( -0.329 -0.564 -3.226) 3.291 6.924 ( 11.841 0.524 0.370) 11.859 6.962 ( 6.561 5.333 -3.231) 9.051 7.002 ( 5.411 -3.185 3.558) 7.217 7.038 ( 2.983 -0.565 -0.156) 3.040 7.090 ( 6.272 5.437 -1.167) 8.382 7.171 ( 6.098 -2.079 1.048) 6.528 7.209 ( 1.489 2.207 1.604) 3.108 7.278 ( 2.393 -4.940 2.069) 5.866 7.297 ( -7.193 0.525 -4.398) 8.447 7.377 ( -6.002 -4.601 -1.112) 7.643 7.480 ( 3.518 2.393 -1.937) 4.675 7.517 ( 4.842 -2.986 0.099) 5.689 7.536 ( -1.041 -0.604 3.644) 3.837 7.603 ( 2.263 -3.963 2.832) 5.371 7.633 ( 1.694 -1.147 0.497) 2.105 7.673 ( 0.480 -6.857 2.622) 7.357 7.719 ( -4.231 0.231 -0.705) 4.295 7.742 ( -2.461 -1.486 0.436) 2.908 7.859 ( -4.175 -0.820 -0.698) 4.311 7.879 ( 2.712 -2.562 -0.751) 3.806 7.976 ( -1.102 4.096 -6.142) 7.464 8.048 ( -1.124 -3.188 -4.431) 5.573 8.136 ( 4.949 4.620 -0.133) 6.772 8.177 ( 5.775 0.375 -1.920) 6.098 8.304 ( 1.506 4.937 -6.219) 8.082 8.345 ( 1.078 3.919 -4.331) 5.939 8.399 ( 1.653 -1.792 -0.703) 2.537 8.431 ( 1.793 -1.834 -0.850) 2.702 8.545 ( -0.710 3.280 1.839) 3.826 8.571 ( 3.852 -0.267 1.908) 4.307 8.660 ( 2.140 1.500 -5.813) 6.373 8.688 ( 2.250 4.927 6.410) 8.391 8.703 ( -2.634 -0.964 -0.175) 2.811 8.726 ( -3.082 0.764 -1.166) 3.383 8.766 ( 0.390 -2.477 1.089) 2.733 8.828 ( 3.434 -6.544 2.057) 7.671 8.978 ( -3.742 5.067 4.550) 7.770 9.077 ( -3.076 -4.062 3.265) 6.052 9.129 ( 0.166 1.788 -1.540) 2.365 9.177 ( 4.526 -3.152 -1.134) 5.631 9.208 ( -1.563 3.871 3.577) 5.498 9.300 ( -1.084 -5.209 2.433) 5.851 9.445 ( 1.992 3.650 -2.229) 4.718 9.528 ( 2.423 -4.343 -2.136) 5.412 9.728 ( 1.636 2.270 -1.084) 3.001 9.752 ( 1.050 0.253 -1.409) 1.776 9.908 ( -2.051 5.274 3.055) 6.431 10.003 ( -2.348 -3.963 1.315) 4.790 10.164 ( -0.765 0.445 7.671) 7.722 10.184 ( -1.315 -1.252 6.530) 6.778 10.382 ( -1.756 2.267 -1.167) 3.096 10.414 ( -3.041 -0.636 -1.182) 3.325 10.495 ( -1.354 1.451 3.649) 4.154 10.517 ( -1.825 -0.356 2.387) 3.026 10.629 ( -1.699 3.256 1.336) 3.908 10.709 ( -2.822 -4.550 2.233) 5.801 10.871 ( -1.694 3.618 3.276) 5.166 10.943 ( 1.525 -3.392 3.621) 5.191 11.127 ( 2.659 7.279 -2.756) 8.225 11.203 ( 0.810 -2.167 -1.755) 2.904 11.332 ( 3.776 2.533 1.182) 4.698 11.431 ( 5.886 -5.810 -1.377) 8.384 11.521 ( -0.767 6.974 -2.463) 7.436 11.784 ( -4.296 -17.877 -9.173) 20.548 12.286 ( 2.946 1.002 -5.732) 6.522 12.312 ( 3.593 -1.454 -5.963) 7.112 12.493 ( 5.600 3.421 -2.268) 6.943 12.533 ( 4.087 -0.800 -2.258) 4.737 14.033 ( -4.451 3.727 -0.266) 5.812 14.105 ( -4.937 -3.392 -0.097) 5.991 14.149 ( -1.989 3.169 -0.661) 3.799 14.193 ( -1.807 -1.265 0.266) 2.222 14.415 ( -5.113 3.072 -1.845) 6.244 14.474 ( -3.858 -2.338 -3.733) 5.856 14.545 ( -3.459 2.085 3.741) 5.505 14.601 ( -5.658 -3.491 3.214) 7.384 14.842 ( -0.904 3.842 1.243) 4.138 14.908 ( -3.921 -2.539 1.753) 4.989 15.126 ( -5.547 2.473 -0.875) 6.137 15.162 ( -6.212 -1.691 2.690) 6.978 15.252 ( -0.355 2.149 -0.407) 2.216 15.276 ( -5.138 0.486 2.045) 5.551 15.572 ( 1.827 1.886 3.319) 4.232 15.662 ( 3.064 -6.024 2.144) 7.091 15.810 ( 0.624 2.857 2.867) 4.095 15.866 ( -0.449 -2.815 -3.490) 4.506 16.084 ( 0.925 1.615 -2.858) 3.410 16.112 ( -0.014 -1.193 -2.719) 2.970 18.357 ( 4.897 2.127 0.288) 5.346 18.418 ( 5.200 -3.078 -0.336) 6.052 18.467 ( 4.936 0.961 0.428) 5.047 18.519 ( 4.511 -3.721 -0.531) 5.872 24.761 ( 0.601 5.006 3.101) 5.920 24.869 ( -0.240 -5.995 4.128) 7.282 24.925 ( -2.127 8.110 -2.229) 8.676 25.131 ( -1.296 -13.404 -2.190) 13.643 26.494 ( -0.212 2.361 1.628) 2.876 26.543 ( -0.721 -2.645 1.659) 3.205 26.621 ( 0.012 1.480 -1.617) 2.192 26.655 ( -0.090 -2.023 -1.143) 2.326 28.032 ( -0.359 7.101 3.618) 7.978 28.064 ( -2.147 4.120 1.268) 4.816 28.141 ( -1.198 7.535 -1.207) 7.725 28.290 ( 0.084 -6.470 0.594) 6.498 28.489 ( 0.086 6.608 1.509) 6.779 28.563 ( -8.511 -3.792 0.060) 9.318 28.715 ( 4.131 5.512 -2.808) 7.438 28.847 ( 3.664 -3.133 3.171) 5.770 28.946 ( 1.727 -0.299 -1.852) 2.549 29.020 ( 10.034 -6.217 -2.656) 12.099 29.307 ( -3.668 0.326 -2.950) 4.719 29.355 ( -0.261 -4.910 -5.612) 7.461 29.650 ( -12.530 1.628 2.830) 12.948 29.661 ( -11.008 -0.258 5.461) 12.291 30.084 ( 5.980 2.263 1.123) 6.491 30.119 ( 4.464 -0.873 -0.204) 4.553 30.369 ( 2.651 7.156 -0.256) 7.635 30.457 ( 1.762 9.201 -2.406) 9.673 30.525 ( 1.505 -7.200 0.300) 7.362 30.667 ( 5.214 -9.488 -2.448) 11.099 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -15.277 11.730 -2.227) 19.389 1.953 ( -13.274 9.288 3.166) 16.507 2.058 ( -6.615 2.234 -1.831) 7.218 2.319 ( -10.743 -4.185 3.338) 12.003 2.393 ( -7.227 6.227 -6.555) 11.574 2.651 ( 8.254 -9.485 -3.544) 13.063 2.673 ( 5.736 -4.539 1.911) 7.560 2.708 ( 5.142 -2.662 8.225) 10.058 2.767 ( -1.059 -6.929 0.401) 7.021 2.892 ( 6.415 -9.078 -0.253) 11.119 3.151 ( 8.232 8.086 -0.129) 11.540 3.274 ( 5.737 2.896 -1.811) 6.677 3.311 ( 6.610 -3.656 5.503) 9.345 3.359 ( 8.746 -0.504 -2.711) 9.170 3.577 ( -1.161 4.424 -8.168) 9.361 3.676 ( -9.158 -1.304 0.294) 9.255 3.777 ( 4.187 1.485 -1.547) 4.705 3.792 ( 10.496 -2.091 2.134) 10.913 3.824 ( -2.525 8.714 -2.411) 9.388 3.891 ( 0.052 2.411 3.531) 4.276 3.927 ( -1.083 3.919 0.234) 4.073 4.070 ( 3.491 -3.171 -0.796) 4.783 4.134 ( 2.604 0.127 -0.516) 2.657 4.177 ( 3.323 -4.596 -6.240) 8.433 4.319 ( 5.224 3.583 4.076) 7.534 4.372 ( 4.273 4.078 4.566) 7.466 4.459 ( 2.228 1.238 -1.681) 3.054 4.563 ( -2.307 2.943 0.749) 3.814 4.568 ( -0.577 -2.284 -4.858) 5.399 4.695 ( -6.712 -8.558 1.634) 10.998 4.736 ( 0.231 6.669 1.665) 6.877 4.755 ( -0.333 4.373 -2.837) 5.223 4.849 ( -2.973 5.357 8.955) 10.850 4.891 ( -5.292 -1.156 -5.980) 8.068 4.971 ( -7.139 -3.590 2.144) 8.273 5.001 ( -6.683 -2.195 0.096) 7.035 5.024 ( -10.772 1.373 0.973) 10.903 5.140 ( -10.377 -3.613 -0.602) 11.004 5.225 ( -7.912 -5.087 0.123) 9.407 5.287 ( -2.345 -7.486 5.408) 9.528 5.373 ( -8.851 2.618 -6.118) 11.074 5.450 ( -9.943 -1.709 1.829) 10.253 5.549 ( -3.670 4.854 3.756) 7.151 5.608 ( 2.040 -3.429 2.227) 4.570 5.644 ( -2.519 1.332 -3.675) 4.650 5.730 ( -0.049 -5.646 -6.022) 8.255 5.809 ( -4.962 4.579 4.663) 8.205 5.831 ( -7.416 0.890 2.853) 7.996 5.894 ( -1.174 -3.825 4.485) 6.010 5.977 ( 1.062 -8.977 4.815) 10.242 6.138 ( 0.082 8.682 0.689) 8.709 6.241 ( 2.044 -0.238 3.811) 4.331 6.306 ( 4.466 3.571 -0.113) 5.719 6.421 ( 6.358 -7.348 3.220) 10.236 6.534 ( 8.418 3.047 0.168) 8.954 6.622 ( 5.276 0.196 4.166) 6.725 6.698 ( -2.262 -0.664 -5.442) 5.931 6.736 ( -7.324 -0.328 -3.775) 8.246 6.836 ( -1.862 4.534 -6.311) 7.990 6.898 ( 0.589 -1.003 -2.862) 3.089 6.986 ( -0.256 3.788 -4.961) 6.247 7.035 ( -1.361 -0.105 -5.211) 5.387 7.067 ( -1.635 3.963 1.286) 4.476 7.096 ( 2.074 6.630 2.482) 7.377 7.142 ( 0.928 -2.830 3.576) 4.654 7.212 ( 5.545 7.993 0.768) 9.758 7.240 ( 2.030 -4.035 -1.087) 4.646 7.315 ( 0.996 3.825 -5.349) 6.651 7.358 ( 7.045 -3.738 -1.486) 8.113 7.422 ( 2.842 3.256 -4.370) 6.147 7.459 ( -2.112 -4.269 -2.855) 5.553 7.478 ( -6.604 -1.653 3.543) 7.674 7.531 ( -4.500 -4.326 3.936) 7.380 7.547 ( -1.312 -2.301 -2.902) 3.929 7.658 ( 2.822 0.349 -1.596) 3.260 7.707 ( 3.936 -0.267 2.629) 4.740 7.758 ( 2.172 -3.793 4.122) 6.008 7.778 ( 1.715 -6.098 7.238) 9.619 7.868 ( -1.508 4.399 -5.363) 7.098 7.940 ( 5.377 1.202 4.511) 7.121 7.989 ( 1.223 -0.800 -4.361) 4.600 8.062 ( 11.175 -7.868 2.137) 13.833 8.211 ( 0.636 4.387 -6.373) 7.763 8.238 ( 6.138 6.548 -2.725) 9.380 8.301 ( 0.531 0.692 -4.758) 4.838 8.357 ( 4.467 -0.200 -1.848) 4.838 8.424 ( -0.767 2.687 -0.594) 2.857 8.464 ( 2.674 0.091 -2.134) 3.422 8.557 ( 1.812 3.929 -0.378) 4.343 8.616 ( -0.683 2.943 -7.164) 7.775 8.631 ( -0.277 -1.403 0.415) 1.489 8.701 ( 2.353 0.603 2.263) 3.320 8.713 ( -0.489 0.677 3.601) 3.696 8.731 ( 3.965 -3.159 -3.461) 6.138 8.884 ( 6.133 2.760 4.951) 8.352 8.911 ( -3.637 4.325 3.743) 6.778 8.986 ( -7.004 -2.636 6.199) 9.717 9.007 ( 7.631 -8.666 4.903) 12.545 9.150 ( 2.626 2.143 -1.370) 3.656 9.203 ( 1.250 2.174 3.719) 4.486 9.297 ( 7.081 -3.886 -0.502) 8.093 9.352 ( 3.657 -4.783 5.778) 8.344 9.501 ( 6.224 4.787 -5.376) 9.517 9.594 ( 6.593 -4.522 -4.710) 9.279 9.754 ( 1.317 2.368 0.397) 2.739 9.786 ( 2.513 -0.753 0.153) 2.628 9.903 ( -0.932 4.122 5.517) 6.950 9.984 ( -1.231 -3.848 2.563) 4.784 10.176 ( -1.934 1.338 2.252) 3.256 10.187 ( -0.013 0.173 3.205) 3.209 10.275 ( -5.614 2.295 -1.571) 6.265 10.313 ( -4.832 -1.274 1.278) 5.158 10.494 ( -1.573 2.828 5.118) 6.055 10.543 ( 0.777 0.660 5.151) 5.251 10.598 ( -2.946 0.021 -2.311) 3.744 10.634 ( -2.924 -4.295 1.685) 5.462 10.849 ( -2.339 7.094 3.013) 8.055 10.992 ( -0.739 -7.613 4.277) 8.763 11.142 ( 1.266 9.866 -4.242) 10.814 11.201 ( 3.445 1.460 -1.178) 3.923 11.411 ( -0.287 -0.005 -2.321) 2.338 11.530 ( 7.510 -0.554 -3.288) 8.217 11.582 ( -5.496 -7.482 -6.924) 11.581 11.667 ( 11.539 -7.642 1.136) 13.886 12.359 ( 7.947 1.199 -4.757) 9.339 12.395 ( 8.175 -2.269 -5.455) 10.087 12.641 ( 9.908 2.952 -0.856) 10.374 12.670 ( 11.449 -0.064 -1.200) 11.511 13.887 ( -10.856 1.842 -2.902) 11.388 13.928 ( -13.085 -2.343 -3.206) 13.674 14.031 ( -12.220 4.204 3.582) 13.410 14.093 ( -11.502 -2.133 3.501) 12.210 14.191 ( -12.905 3.961 -1.170) 13.550 14.263 ( -12.751 -2.340 -2.696) 13.242 14.446 ( -9.500 4.458 0.967) 10.538 14.537 ( -5.427 -4.453 1.689) 7.220 14.727 ( -11.211 0.957 1.673) 11.376 14.742 ( -11.406 -0.855 1.622) 11.552 14.956 ( -13.331 3.594 -2.975) 14.124 15.035 ( -12.755 -4.939 -0.340) 13.682 15.183 ( -0.896 2.588 1.985) 3.383 15.253 ( 0.994 -4.062 2.561) 4.904 15.622 ( 2.530 -0.040 -1.381) 2.882 15.671 ( 0.160 -5.713 0.443) 5.733 15.850 ( 0.515 2.184 2.259) 3.184 15.879 ( 0.606 -0.757 4.134) 4.246 16.068 ( 0.163 2.342 -4.184) 4.797 16.103 ( 2.050 -1.185 -3.839) 4.511 18.520 ( 11.051 1.781 -0.555) 11.207 18.569 ( 10.125 -3.336 -0.823) 10.692 18.635 ( 11.301 1.214 0.384) 11.372 18.667 ( 9.816 -2.001 0.539) 10.032 24.780 ( -0.830 4.322 2.885) 5.262 24.835 ( -4.723 6.773 -2.531) 8.636 24.874 ( -2.383 -4.464 3.412) 6.104 25.033 ( -6.943 -13.781 -3.256) 15.771 26.503 ( -0.103 1.925 1.771) 2.617 26.544 ( -0.482 -2.223 1.945) 2.993 26.617 ( 0.772 1.543 -1.577) 2.337 26.654 ( 0.596 -2.304 -0.721) 2.487 28.019 ( -2.832 6.392 1.157) 7.086 28.039 ( -1.422 5.530 3.009) 6.454 28.127 ( -0.535 6.234 0.042) 6.257 28.241 ( -3.937 -6.686 -2.703) 8.216 28.390 ( -6.338 -1.208 -1.672) 6.665 28.458 ( -3.831 -6.972 3.349) 8.632 28.846 ( 3.740 5.649 0.175) 6.777 28.891 ( 0.333 -0.965 0.815) 1.306 29.021 ( 10.307 13.236 -5.878) 17.776 29.126 ( -1.554 -0.024 -3.491) 3.822 29.249 ( 0.456 2.309 2.620) 3.522 29.408 ( 4.482 -5.483 -0.277) 7.087 29.451 ( -7.408 1.563 1.165) 7.660 29.532 ( 1.837 -10.458 2.161) 10.835 30.123 ( -2.707 0.878 1.128) 3.061 30.133 ( -1.994 -0.003 1.085) 2.270 30.367 ( -3.599 4.889 -0.003) 6.071 30.480 ( -1.396 -5.090 -3.659) 6.422 30.659 ( 12.755 9.421 2.275) 16.019 30.857 ( 14.912 -8.915 -1.662) 17.453 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -12.808 27.623 -2.582) 30.557 1.767 ( -8.585 30.355 10.577) 33.271 1.954 ( -4.167 -15.084 -5.116) 16.464 2.184 ( -6.794 3.231 5.728) 9.456 2.300 ( 0.020 -20.268 12.186) 23.650 2.532 ( -9.277 -27.099 2.733) 28.773 2.670 ( -5.102 12.923 7.517) 15.796 2.849 ( 4.969 -6.013 1.955) 8.042 3.006 ( 11.234 5.236 2.807) 12.708 3.024 ( 3.515 9.935 -5.548) 11.910 3.164 ( -3.143 5.142 -4.241) 7.369 3.270 ( 0.605 11.479 -9.757) 15.078 3.290 ( 1.773 9.204 -4.535) 10.413 3.436 ( -0.529 3.535 -2.988) 4.659 3.532 ( -0.750 -4.264 1.081) 4.463 3.555 ( -1.779 1.797 -2.221) 3.366 3.750 ( 3.427 -4.051 -1.704) 5.573 3.842 ( 2.291 2.694 1.376) 3.795 3.880 ( 0.695 -0.904 -3.272) 3.465 4.072 ( 0.003 -5.117 0.894) 5.194 4.086 ( 5.943 -1.046 -2.917) 6.702 4.101 ( 8.103 -4.463 2.179) 9.504 4.169 ( 2.926 1.578 -2.831) 4.367 4.215 ( -0.037 -10.157 -0.995) 10.206 4.370 ( -5.118 1.792 0.061) 5.422 4.433 ( -1.993 2.798 0.451) 3.465 4.475 ( -1.775 -2.647 6.848) 7.553 4.509 ( -1.455 -3.330 -4.176) 5.536 4.550 ( 1.325 -9.134 4.907) 10.453 4.587 ( -5.508 -6.763 -4.075) 9.627 4.626 ( -5.199 2.206 -0.931) 5.724 4.687 ( -5.967 -3.946 -5.882) 9.261 4.803 ( 0.558 2.222 -0.345) 2.317 4.835 ( -4.676 -0.192 0.940) 4.774 4.915 ( -2.748 10.074 2.723) 10.791 4.953 ( 1.734 0.956 1.330) 2.385 4.967 ( 7.740 2.558 4.679) 9.399 5.048 ( -1.760 -0.516 7.775) 7.988 5.132 ( -1.794 3.665 -2.800) 4.949 5.205 ( -2.254 -2.683 -1.944) 4.007 5.282 ( -0.520 2.466 8.753) 9.109 5.350 ( -2.300 -1.326 1.407) 3.005 5.485 ( -6.123 2.033 0.150) 6.453 5.552 ( -9.462 -5.686 0.836) 11.070 5.623 ( 1.142 0.079 3.858) 4.025 5.708 ( -3.326 -5.285 9.268) 11.175 5.741 ( -1.274 -0.246 -0.933) 1.598 5.785 ( 0.579 2.610 -0.757) 2.778 5.959 ( 2.059 -5.592 6.166) 8.575 6.030 ( 0.684 -7.244 0.803) 7.321 6.166 ( 3.922 6.733 -1.810) 7.999 6.322 ( 4.026 -3.919 -0.204) 5.622 6.375 ( 2.709 4.166 -4.027) 6.396 6.505 ( -3.470 -4.762 -0.837) 5.951 6.575 ( -1.325 4.280 -6.801) 8.144 6.609 ( 2.597 -0.064 -3.510) 4.367 6.639 ( -2.202 2.867 -4.604) 5.854 6.757 ( 2.624 0.509 -1.405) 3.020 6.800 ( -5.244 -4.813 -10.540) 12.718 6.821 ( 4.020 -0.908 4.323) 5.973 6.922 ( 1.126 3.269 1.640) 3.827 6.989 ( 2.092 -0.122 -5.090) 5.504 7.067 ( -5.445 2.525 3.423) 6.909 7.101 ( -2.336 1.392 -1.752) 3.235 7.171 ( 1.884 4.976 -1.685) 5.581 7.213 ( -0.722 2.476 2.818) 3.820 7.244 ( -6.234 -2.281 0.595) 6.665 7.298 ( 1.594 -4.695 -2.025) 5.356 7.346 ( -1.265 1.611 -4.075) 4.561 7.388 ( 2.664 1.707 -7.306) 7.962 7.394 ( 0.377 0.235 -2.037) 2.085 7.429 ( -2.618 1.351 -0.362) 2.968 7.545 ( 0.772 -0.255 5.538) 5.597 7.582 ( -2.268 -2.129 1.610) 3.503 7.610 ( -1.696 0.912 -3.735) 4.202 7.700 ( -2.765 -5.269 -0.156) 5.953 7.826 ( 3.335 0.130 -1.464) 3.645 7.846 ( 1.738 -0.761 2.048) 2.791 7.923 ( 3.599 2.909 2.922) 5.473 7.968 ( 5.179 -1.167 5.376) 7.555 8.129 ( -2.919 1.681 -3.195) 4.643 8.142 ( -2.229 0.307 5.486) 5.930 8.229 ( 3.140 3.378 -1.059) 4.732 8.295 ( 2.882 -2.991 -0.189) 4.158 8.314 ( 3.172 5.946 -1.992) 7.027 8.378 ( 0.495 -1.072 -3.313) 3.517 8.420 ( 1.542 2.475 -5.845) 6.532 8.473 ( 1.684 -2.226 -4.388) 5.201 8.583 ( 1.713 2.639 1.590) 3.525 8.597 ( -1.452 0.490 -1.526) 2.163 8.638 ( 4.214 5.794 0.162) 7.166 8.724 ( -3.117 3.148 4.794) 6.528 8.749 ( 1.681 -3.735 2.811) 4.968 8.823 ( 3.494 -5.948 3.272) 7.635 8.862 ( -0.096 3.381 -0.419) 3.408 8.951 ( -0.177 -3.711 1.966) 4.203 9.015 ( 4.140 1.327 2.781) 5.161 9.046 ( -2.116 -1.927 3.293) 4.363 9.191 ( 1.800 7.167 1.533) 7.547 9.365 ( 5.835 -8.484 1.331) 10.382 9.400 ( 2.977 1.444 4.508) 5.592 9.488 ( 2.975 -7.037 5.683) 9.522 9.613 ( 8.385 3.525 -5.594) 10.678 9.663 ( 2.616 -1.728 -5.219) 6.088 9.815 ( 1.830 1.128 5.610) 6.007 9.845 ( 4.723 -1.165 5.504) 7.346 9.957 ( 2.183 0.506 1.082) 2.489 9.978 ( 0.276 -1.932 0.593) 2.040 10.136 ( -1.245 4.021 0.577) 4.249 10.183 ( -1.084 0.518 0.320) 1.243 10.281 ( 4.319 1.778 2.610) 5.351 10.321 ( 1.566 -2.946 2.502) 4.171 10.440 ( -4.137 1.341 -1.917) 4.753 10.474 ( -6.440 -2.207 -5.165) 8.545 10.656 ( 9.202 2.676 5.278) 10.941 10.703 ( 5.901 -1.491 2.805) 6.702 10.860 ( 3.575 4.736 -0.674) 5.972 10.966 ( -3.898 -6.262 2.116) 7.674 11.111 ( 2.143 11.077 -10.709) 15.556 11.287 ( 0.355 -7.526 -11.024) 13.353 11.359 ( 3.475 5.397 3.601) 7.360 11.484 ( 4.918 -7.278 4.336) 9.796 11.749 ( 8.430 4.591 2.175) 9.842 11.872 ( 8.272 -7.420 0.507) 11.124 12.491 ( 7.259 1.200 -2.118) 7.656 12.525 ( 8.667 -2.057 -5.111) 10.270 12.844 ( 11.267 4.958 0.336) 12.314 12.907 ( 12.380 -1.428 -0.108) 12.462 13.548 ( -19.192 0.380 -2.729) 19.389 13.554 ( -20.369 -0.282 -2.184) 20.487 13.720 ( -24.697 6.324 2.838) 25.652 13.842 ( -19.752 -4.995 1.198) 20.409 13.998 ( -5.475 1.084 0.846) 5.645 14.033 ( -11.233 -3.896 -0.582) 11.903 14.185 ( -14.258 1.704 -1.360) 14.423 14.242 ( -20.833 -4.508 -0.960) 21.337 14.601 ( -3.147 1.350 1.477) 3.729 14.623 ( -2.660 -0.937 1.384) 3.141 14.689 ( -9.552 1.225 -2.050) 9.846 14.719 ( -11.458 -2.091 -3.064) 12.043 15.229 ( 2.039 4.463 2.415) 5.469 15.324 ( 2.137 -5.098 4.344) 7.031 15.639 ( 1.495 3.219 -4.532) 5.756 15.706 ( 1.480 -4.175 -0.570) 4.466 15.849 ( -1.159 1.659 1.534) 2.540 15.886 ( -1.920 -2.255 2.856) 4.114 16.072 ( 2.403 3.992 -2.584) 5.328 16.131 ( 2.897 -2.176 -3.142) 4.796 18.716 ( 8.394 1.532 0.036) 8.533 18.753 ( 8.152 -2.228 -0.240) 8.454 18.845 ( 9.396 0.911 -0.490) 9.453 18.859 ( 8.938 -0.474 0.016) 8.951 24.732 ( -3.648 4.521 -1.594) 6.024 24.768 ( -1.784 3.247 1.297) 3.925 24.837 ( -3.421 -3.856 1.068) 5.264 24.854 ( -7.848 -8.065 -2.165) 11.459 26.513 ( -0.226 1.721 1.942) 2.605 26.550 ( -0.426 -2.056 2.408) 3.195 26.628 ( 1.189 1.556 -0.954) 2.178 26.665 ( 0.755 -2.323 -0.122) 2.446 27.976 ( -2.051 6.706 0.561) 7.035 28.026 ( -1.656 6.774 1.148) 7.067 28.090 ( -2.901 -0.864 0.243) 3.037 28.163 ( -2.185 -5.576 -1.220) 6.112 28.300 ( -1.950 4.214 -0.009) 4.643 28.431 ( -0.838 -5.953 0.332) 6.021 28.866 ( 0.200 0.909 -0.518) 1.065 28.889 ( -0.279 -1.488 -1.112) 1.879 28.989 ( -3.907 4.145 -3.307) 6.587 29.056 ( -4.815 -2.708 -1.101) 5.633 29.354 ( -2.329 1.535 0.067) 2.790 29.407 ( -0.171 -3.619 -3.287) 4.892 29.542 ( 21.831 13.235 5.680) 26.154 29.779 ( 15.177 -10.374 -0.362) 18.387 30.060 ( -3.573 1.241 0.574) 3.826 30.086 ( -3.048 -1.358 0.798) 3.431 30.262 ( -6.920 3.602 -0.622) 7.826 30.357 ( -9.223 -6.292 -1.655) 11.287 30.922 ( 10.563 11.598 4.799) 16.405 31.133 ( 12.794 -9.382 0.013) 15.866 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -9.251 0.000 36.419) 37.575 1.550 ( 0.873 0.000 31.797) 31.808 1.764 ( 10.291 0.000 13.358) 16.863 2.185 ( 6.513 0.000 -6.391) 9.124 2.222 ( -4.748 0.000 -30.821) 31.184 2.366 ( 0.388 0.000 -17.737) 17.742 2.743 ( -7.427 0.000 -1.749) 7.630 2.783 ( 2.743 0.000 -6.989) 7.508 2.960 ( 5.026 0.000 5.291) 7.297 3.011 ( 0.141 0.000 -0.844) 0.856 3.317 ( -2.251 0.000 2.282) 3.205 3.329 ( -0.950 0.000 2.667) 2.831 3.429 ( 2.632 0.000 9.696) 10.047 3.495 ( 8.507 0.000 -0.991) 8.564 3.533 ( 5.984 0.000 3.117) 6.747 3.589 ( -3.628 0.000 -4.415) 5.715 3.697 ( 2.301 0.000 26.034) 26.136 3.770 ( 10.519 0.000 -4.495) 11.440 3.791 ( -15.643 0.000 -4.014) 16.150 3.873 ( 2.787 0.000 10.316) 10.686 4.009 ( 3.728 0.000 -4.688) 5.989 4.077 ( -6.398 0.000 -4.619) 7.891 4.118 ( 1.956 0.000 1.590) 2.520 4.277 ( 0.948 0.000 0.241) 0.978 4.312 ( -6.744 0.000 -3.867) 7.774 4.338 ( -11.806 0.000 -7.065) 13.759 4.351 ( -4.272 0.000 2.174) 4.793 4.491 ( 3.563 0.000 -5.014) 6.151 4.506 ( 1.503 0.000 -4.110) 4.377 4.600 ( -0.896 0.000 -2.227) 2.400 4.628 ( 1.531 0.000 -2.119) 2.614 4.720 ( -1.907 0.000 -25.924) 25.994 4.809 ( 7.023 0.000 3.252) 7.739 4.820 ( -13.006 0.000 -9.151) 15.903 4.865 ( 2.436 0.000 4.232) 4.883 4.954 ( -4.969 0.000 -1.793) 5.282 5.084 ( 3.396 0.000 6.799) 7.600 5.110 ( 12.661 0.000 6.235) 14.113 5.156 ( 0.022 0.000 3.240) 3.240 5.220 ( -0.216 0.000 2.848) 2.857 5.312 ( -8.217 0.000 -7.028) 10.813 5.319 ( 5.614 0.000 -7.306) 9.214 5.537 ( -2.124 0.000 9.804) 10.032 5.575 ( 7.146 0.000 1.501) 7.302 5.585 ( -1.046 0.000 6.065) 6.154 5.886 ( -5.721 0.000 -13.152) 14.343 5.976 ( 2.143 0.000 3.805) 4.367 5.978 ( -6.846 0.000 2.311) 7.225 6.024 ( -1.346 0.000 2.688) 3.006 6.057 ( 3.880 0.000 -5.145) 6.444 6.220 ( -11.406 0.000 2.002) 11.581 6.289 ( 12.938 0.000 -4.821) 13.807 6.451 ( 3.366 0.000 3.771) 5.055 6.479 ( -3.727 0.000 0.312) 3.740 6.597 ( 3.324 0.000 5.442) 6.377 6.658 ( -2.496 0.000 -0.722) 2.599 6.720 ( -1.379 0.000 0.459) 1.453 6.776 ( 0.866 0.000 -5.461) 5.529 6.817 ( -2.346 0.000 3.303) 4.051 6.825 ( 9.410 0.000 4.349) 10.367 6.948 ( 0.426 0.000 2.707) 2.740 6.975 ( -0.896 0.000 -1.233) 1.524 7.000 ( -4.159 0.000 3.569) 5.480 7.047 ( 1.933 0.000 -6.437) 6.721 7.105 ( -6.657 0.000 -6.288) 9.157 7.163 ( 3.827 0.000 -6.829) 7.829 7.198 ( 8.340 0.000 3.694) 9.121 7.203 ( -5.457 0.000 4.667) 7.180 7.318 ( 0.641 0.000 2.415) 2.498 7.353 ( 2.422 0.000 1.224) 2.714 7.496 ( -2.432 0.000 10.407) 10.687 7.517 ( -2.813 0.000 3.910) 4.817 7.591 ( -1.331 0.000 2.843) 3.139 7.597 ( 4.200 0.000 -3.709) 5.603 7.681 ( 2.454 0.000 2.008) 3.171 7.726 ( 1.011 0.000 -0.945) 1.384 7.785 ( -5.814 0.000 -0.339) 5.824 7.832 ( -1.913 0.000 -0.177) 1.921 7.847 ( -1.132 0.000 -3.443) 3.624 7.910 ( 2.499 0.000 -4.101) 4.802 8.006 ( -1.656 0.000 -2.634) 3.111 8.007 ( -1.061 0.000 -1.285) 1.666 8.089 ( 1.727 0.000 10.320) 10.464 8.166 ( -4.361 0.000 -1.133) 4.506 8.184 ( 0.281 0.000 -4.095) 4.104 8.197 ( 3.148 0.000 1.235) 3.382 8.322 ( 4.613 0.000 -2.638) 5.314 8.373 ( -3.460 0.000 -7.303) 8.081 8.389 ( 3.685 0.000 0.479) 3.716 8.429 ( -0.969 0.000 -4.252) 4.361 8.635 ( -5.831 0.000 2.560) 6.369 8.672 ( 2.261 0.000 -0.887) 2.429 8.865 ( -1.859 0.000 6.822) 7.071 8.941 ( 0.914 0.000 4.221) 4.318 9.035 ( 0.050 0.000 0.169) 0.176 9.061 ( 2.621 0.000 1.456) 2.998 9.073 ( 0.732 0.000 -2.364) 2.475 9.138 ( -0.012 0.000 -1.044) 1.044 9.456 ( 1.721 0.000 3.307) 3.728 9.472 ( -3.797 0.000 -1.820) 4.211 9.669 ( -1.042 0.000 2.175) 2.412 9.685 ( 3.696 0.000 -1.324) 3.926 9.823 ( 1.464 0.000 10.060) 10.166 9.845 ( 1.629 0.000 9.283) 9.424 9.908 ( 4.237 0.000 3.288) 5.363 9.933 ( -3.952 0.000 2.938) 4.925 9.968 ( 0.781 0.000 -7.069) 7.112 10.059 ( -3.418 0.000 5.036) 6.086 10.059 ( 3.442 0.000 -3.214) 4.710 10.150 ( -7.936 0.000 -1.970) 8.177 10.160 ( 3.132 0.000 -1.091) 3.317 10.236 ( -2.871 0.000 -3.998) 4.922 10.294 ( -1.743 0.000 -5.376) 5.651 10.305 ( 0.156 0.000 -17.132) 17.133 10.723 ( -2.388 0.000 1.667) 2.913 10.743 ( 4.027 0.000 -0.749) 4.096 10.873 ( 1.019 0.000 18.331) 18.359 11.147 ( -14.037 0.000 7.590) 15.958 11.156 ( 16.164 0.000 -9.123) 18.561 11.335 ( 0.179 0.000 -11.430) 11.431 11.557 ( -1.646 0.000 11.747) 11.862 11.783 ( -0.352 0.000 -10.482) 10.488 11.796 ( -1.124 0.000 4.382) 4.524 11.936 ( 1.960 0.000 -9.927) 10.119 12.641 ( 0.995 0.000 0.745) 1.242 12.647 ( -2.651 0.000 0.617) 2.722 12.829 ( 4.722 0.000 3.485) 5.869 12.900 ( -4.229 0.000 -3.450) 5.457 13.318 ( -1.517 0.000 0.484) 1.592 13.328 ( 5.945 0.000 -0.398) 5.959 13.356 ( -5.308 0.000 1.438) 5.499 13.377 ( 5.639 0.000 -0.473) 5.659 13.901 ( -4.371 0.000 0.643) 4.418 13.911 ( 1.931 0.000 -0.138) 1.936 14.110 ( -4.465 0.000 0.607) 4.506 14.121 ( 5.369 0.000 -0.288) 5.377 14.530 ( -0.139 0.000 0.382) 0.407 14.536 ( 0.179 0.000 0.093) 0.202 14.624 ( 2.130 0.000 -0.137) 2.135 14.629 ( -2.698 0.000 -0.517) 2.747 15.179 ( -0.194 0.000 1.483) 1.496 15.218 ( -0.446 0.000 -2.509) 2.548 15.588 ( -2.409 0.000 6.716) 7.135 15.711 ( 0.710 0.000 -5.652) 5.696 15.889 ( -2.540 0.000 1.076) 2.758 15.906 ( 3.534 0.000 -0.562) 3.578 16.134 ( -2.345 0.000 1.192) 2.631 16.164 ( 2.236 0.000 -1.723) 2.822 18.810 ( 0.968 0.000 1.099) 1.465 18.837 ( -1.005 0.000 -1.578) 1.871 18.923 ( 1.681 0.000 0.593) 1.783 18.930 ( -1.587 0.000 -0.122) 1.592 24.649 ( 2.310 0.000 0.451) 2.354 24.660 ( -2.400 0.000 -0.670) 2.491 24.842 ( 1.277 0.000 0.266) 1.305 24.850 ( -2.798 0.000 -0.517) 2.845 26.523 ( -1.674 0.000 2.514) 3.020 26.573 ( 1.737 0.000 -2.446) 3.000 26.685 ( -0.465 0.000 3.824) 3.852 26.738 ( 0.043 0.000 -1.407) 1.407 27.804 ( 0.135 0.000 0.231) 0.268 27.812 ( -0.808 0.000 -0.622) 1.020 27.950 ( -0.724 0.000 0.762) 1.051 27.952 ( 1.011 0.000 0.634) 1.193 28.305 ( 1.047 0.000 0.878) 1.367 28.325 ( -1.028 0.000 -1.080) 1.491 28.859 ( 1.721 0.000 -0.100) 1.724 28.864 ( -1.996 0.000 -0.614) 2.088 28.973 ( 6.157 0.000 1.602) 6.362 29.006 ( -5.619 0.000 -1.623) 5.848 29.421 ( 1.156 0.000 5.613) 5.731 29.550 ( -1.718 0.000 -7.168) 7.371 29.994 ( 1.623 0.000 0.465) 1.689 30.000 ( -2.434 0.000 -0.165) 2.439 30.050 ( 13.647 0.000 1.177) 13.697 30.066 ( -5.589 0.000 -0.702) 5.633 30.168 ( -4.889 0.000 7.132) 8.646 30.317 ( 1.743 0.000 -7.354) 7.557 31.211 ( 1.916 0.000 0.154) 1.922 31.217 ( -3.043 0.000 -0.464) 3.078 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -2.349 0.000 22.533) 22.655 1.665 ( -4.922 0.000 -15.137) 15.917 2.080 ( 13.961 0.000 22.149) 26.182 2.164 ( 14.565 0.000 -16.745) 22.194 2.447 ( 12.790 0.000 -3.868) 13.362 2.456 ( 10.306 0.000 -8.464) 13.336 2.691 ( 7.926 0.000 -0.490) 7.941 2.817 ( -0.697 0.000 3.116) 3.193 2.926 ( -3.721 0.000 -8.207) 9.011 3.019 ( 1.729 0.000 -0.178) 1.738 3.211 ( -5.730 0.000 -5.611) 8.020 3.352 ( -11.075 0.000 -0.593) 11.091 3.356 ( -4.268 0.000 4.342) 6.089 3.417 ( 1.813 0.000 -4.493) 4.845 3.540 ( -10.767 0.000 -12.319) 16.361 3.609 ( 5.465 0.000 8.787) 10.348 3.694 ( -11.198 0.000 -0.161) 11.199 3.694 ( 9.238 0.000 2.257) 9.510 3.879 ( -1.165 0.000 5.050) 5.182 3.897 ( -12.809 0.000 -3.596) 13.304 4.072 ( 3.436 0.000 12.870) 13.321 4.085 ( 6.338 0.000 -9.665) 11.558 4.148 ( -1.703 0.000 17.976) 18.057 4.189 ( 0.599 0.000 -8.995) 9.015 4.277 ( -6.039 0.000 9.065) 10.893 4.298 ( -1.919 0.000 6.750) 7.018 4.417 ( 6.628 0.000 13.305) 14.864 4.518 ( -7.981 0.000 -3.160) 8.583 4.566 ( 4.709 0.000 -11.230) 12.177 4.568 ( 9.295 0.000 0.598) 9.314 4.632 ( 12.246 0.000 -7.760) 14.498 4.641 ( 2.926 0.000 0.147) 2.930 4.698 ( 9.538 0.000 -2.806) 9.942 4.837 ( -5.975 0.000 2.686) 6.550 4.862 ( -4.815 0.000 6.399) 8.009 4.944 ( 1.562 0.000 -1.214) 1.978 4.973 ( -11.955 0.000 -9.549) 15.300 5.152 ( -0.098 0.000 -0.499) 0.509 5.264 ( -1.820 0.000 -5.674) 5.958 5.292 ( 4.480 0.000 -2.232) 5.005 5.300 ( 11.308 0.000 0.720) 11.330 5.418 ( -6.520 0.000 2.866) 7.122 5.442 ( 12.906 0.000 6.056) 14.257 5.621 ( -1.142 0.000 -4.986) 5.115 5.702 ( 1.489 0.000 -14.416) 14.493 5.744 ( 0.772 0.000 13.858) 13.879 5.898 ( -1.287 0.000 4.606) 4.783 5.951 ( -7.414 0.000 2.347) 7.777 5.978 ( -5.075 0.000 3.708) 6.285 6.063 ( 1.394 0.000 -3.952) 4.190 6.269 ( 10.015 0.000 2.025) 10.218 6.342 ( -11.299 0.000 -1.639) 11.417 6.446 ( -2.555 0.000 -0.499) 2.603 6.489 ( -0.093 0.000 3.418) 3.419 6.565 ( -8.525 0.000 -2.320) 8.835 6.644 ( -1.590 0.000 0.859) 1.807 6.699 ( -0.539 0.000 -4.723) 4.754 6.719 ( 1.512 0.000 2.251) 2.712 6.719 ( 0.796 0.000 -3.174) 3.272 6.872 ( -2.877 0.000 -7.665) 8.187 6.901 ( -5.672 0.000 5.242) 7.724 6.972 ( -6.519 0.000 4.162) 7.734 7.021 ( 3.631 0.000 -2.509) 4.413 7.037 ( 1.310 0.000 -1.003) 1.650 7.072 ( 2.107 0.000 3.836) 4.377 7.214 ( 7.194 0.000 -3.753) 8.114 7.221 ( 8.303 0.000 -2.153) 8.577 7.329 ( -2.799 0.000 0.210) 2.807 7.342 ( 3.090 0.000 0.996) 3.247 7.407 ( 4.008 0.000 -0.955) 4.120 7.470 ( 0.726 0.000 1.364) 1.545 7.497 ( -7.886 0.000 0.018) 7.886 7.584 ( -2.770 0.000 0.605) 2.835 7.590 ( -5.079 0.000 -4.471) 6.767 7.677 ( 1.956 0.000 1.858) 2.698 7.691 ( 0.332 0.000 1.243) 1.286 7.804 ( 2.906 0.000 1.123) 3.115 7.825 ( -0.178 0.000 4.649) 4.653 7.867 ( 7.417 0.000 5.420) 9.187 7.931 ( 2.523 0.000 -3.258) 4.121 8.020 ( 0.010 0.000 -1.339) 1.339 8.044 ( 0.668 0.000 3.026) 3.099 8.098 ( 2.571 0.000 -3.388) 4.253 8.114 ( -1.647 0.000 1.513) 2.237 8.196 ( -3.513 0.000 0.612) 3.566 8.270 ( 5.172 0.000 1.395) 5.357 8.286 ( -0.642 0.000 -7.687) 7.713 8.367 ( -0.957 0.000 4.325) 4.430 8.383 ( -2.808 0.000 -5.588) 6.254 8.509 ( 8.541 0.000 -0.329) 8.547 8.573 ( -0.607 0.000 0.205) 0.641 8.662 ( -3.934 0.000 3.364) 5.176 8.876 ( -1.477 0.000 8.460) 8.588 8.935 ( -2.148 0.000 -1.392) 2.560 8.998 ( -5.221 0.000 1.130) 5.342 9.019 ( -4.153 0.000 -3.446) 5.397 9.044 ( -5.105 0.000 -9.467) 10.755 9.054 ( -2.880 0.000 1.743) 3.366 9.324 ( -9.912 0.000 -0.478) 9.923 9.425 ( -6.806 0.000 4.734) 8.291 9.631 ( -2.080 0.000 -4.414) 4.879 9.676 ( -1.923 0.000 0.512) 1.990 9.806 ( -8.285 0.000 6.319) 10.420 9.853 ( -7.571 0.000 -8.923) 11.702 9.891 ( -2.928 0.000 -0.884) 3.058 9.916 ( -1.424 0.000 9.581) 9.687 9.953 ( -4.601 0.000 -11.516) 12.401 10.047 ( 4.435 0.000 4.598) 6.388 10.095 ( 3.452 0.000 9.528) 10.134 10.102 ( -1.512 0.000 6.218) 6.399 10.185 ( 4.890 0.000 -5.529) 7.381 10.258 ( 2.469 0.000 -1.386) 2.831 10.284 ( 1.619 0.000 0.239) 1.636 10.322 ( 8.547 0.000 1.244) 8.637 10.645 ( -19.101 0.000 -4.098) 19.536 10.695 ( 1.236 0.000 -0.045) 1.237 10.822 ( -24.196 0.000 8.657) 25.698 10.907 ( -1.466 0.000 6.587) 6.748 10.978 ( -1.848 0.000 -4.210) 4.598 11.543 ( 19.267 0.000 -11.502) 22.440 11.543 ( -6.653 0.000 11.175) 13.005 11.622 ( -7.028 0.000 -7.800) 10.499 11.745 ( -6.901 0.000 4.234) 8.096 11.839 ( -3.879 0.000 -7.384) 8.341 12.548 ( -5.497 0.000 0.173) 5.499 12.582 ( -5.841 0.000 0.678) 5.880 12.723 ( -10.242 0.000 -4.633) 11.241 12.807 ( -8.011 0.000 2.754) 8.471 13.484 ( 15.882 0.000 0.099) 15.882 13.659 ( 22.918 0.000 -0.621) 22.926 13.759 ( 27.605 0.000 -12.402) 30.262 13.793 ( 17.343 0.000 2.940) 17.590 14.022 ( 27.383 0.000 8.476) 28.665 14.064 ( 4.187 0.000 -2.823) 5.050 14.114 ( 16.147 0.000 1.012) 16.179 14.231 ( 5.267 0.000 -1.081) 5.377 14.567 ( 0.128 0.000 0.938) 0.947 14.619 ( 7.445 0.000 -0.439) 7.457 14.619 ( 7.345 0.000 -0.405) 7.356 14.694 ( 4.760 0.000 -0.440) 4.780 15.194 ( -0.963 0.000 -0.942) 1.347 15.197 ( 1.323 0.000 2.034) 2.426 15.590 ( -2.395 0.000 8.803) 9.123 15.694 ( 0.956 0.000 -5.431) 5.515 15.825 ( -4.564 0.000 0.522) 4.594 15.958 ( 2.849 0.000 -1.926) 3.439 16.074 ( -4.625 0.000 0.993) 4.731 16.173 ( 0.138 0.000 -1.338) 1.345 18.729 ( -8.647 0.000 -1.783) 8.829 18.754 ( -7.375 0.000 1.613) 7.550 18.815 ( -9.347 0.000 -0.629) 9.368 18.875 ( -6.149 0.000 0.678) 6.187 24.622 ( -0.975 0.000 -0.341) 1.033 24.711 ( 3.454 0.000 0.235) 3.462 24.863 ( 3.732 0.000 2.652) 4.579 24.968 ( 10.129 0.000 -1.035) 10.182 26.502 ( -2.091 0.000 2.303) 3.111 26.581 ( 0.747 0.000 -2.380) 2.494 26.701 ( -0.526 0.000 3.494) 3.534 26.726 ( -0.212 0.000 -1.803) 1.815 27.804 ( -0.012 0.000 0.200) 0.200 27.816 ( 0.616 0.000 0.796) 1.006 27.938 ( -0.808 0.000 0.310) 0.865 27.971 ( 0.713 0.000 -0.305) 0.776 28.338 ( 2.671 0.000 -1.406) 3.019 28.385 ( 6.705 0.000 1.055) 6.787 28.829 ( -1.462 0.000 0.931) 1.733 28.917 ( 3.951 0.000 -0.167) 3.954 28.947 ( 1.375 0.000 -3.297) 3.572 29.144 ( 9.824 0.000 1.587) 9.951 29.431 ( -5.496 0.000 -5.408) 7.711 29.448 ( -2.838 0.000 5.669) 6.340 29.877 ( -8.486 0.000 -7.114) 11.074 29.913 ( -8.236 0.000 5.337) 9.814 30.073 ( 3.655 0.000 -1.165) 3.836 30.098 ( -1.733 0.000 4.111) 4.461 30.271 ( -2.111 0.000 -4.917) 5.351 30.278 ( 6.693 0.000 -0.769) 6.737 31.045 ( -13.151 0.000 2.468) 13.380 31.140 ( -8.680 0.000 -0.494) 8.694 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 12.379 0.000 -11.046) 16.591 1.725 ( 9.726 0.000 12.800) 16.076 2.189 ( -5.693 0.000 -11.443) 12.781 2.424 ( -3.737 0.000 4.303) 5.699 2.455 ( 8.389 0.000 -16.930) 18.894 2.618 ( 14.598 0.000 16.435) 21.982 2.737 ( -3.997 0.000 0.512) 4.030 2.818 ( -1.078 0.000 2.324) 2.562 2.849 ( -2.894 0.000 0.086) 2.895 3.108 ( 6.981 0.000 -3.686) 7.895 3.157 ( -5.193 0.000 -0.130) 5.194 3.161 ( -14.131 0.000 0.801) 14.154 3.282 ( -10.156 0.000 -0.334) 10.161 3.373 ( -4.132 0.000 -7.335) 8.419 3.417 ( 16.119 0.000 0.712) 16.135 3.534 ( -1.676 0.000 0.444) 1.734 3.682 ( -8.584 0.000 14.389) 16.755 3.760 ( 4.970 0.000 2.464) 5.547 3.818 ( 0.257 0.000 -5.375) 5.381 3.893 ( -3.832 0.000 2.517) 4.585 4.009 ( -14.197 0.000 0.425) 14.204 4.063 ( -0.494 0.000 11.839) 11.849 4.123 ( 6.748 0.000 -11.645) 13.459 4.168 ( -8.378 0.000 7.134) 11.004 4.250 ( 0.402 0.000 -5.418) 5.433 4.358 ( 6.837 0.000 -12.494) 14.243 4.490 ( 6.207 0.000 2.070) 6.544 4.572 ( -9.549 0.000 -7.720) 12.279 4.586 ( -9.693 0.000 -2.689) 10.059 4.632 ( 8.746 0.000 -11.028) 14.075 4.693 ( 4.048 0.000 9.256) 10.102 4.748 ( 7.638 0.000 -1.005) 7.704 4.759 ( 8.155 0.000 -8.967) 12.121 4.775 ( -2.871 0.000 11.294) 11.653 4.910 ( 6.251 0.000 14.432) 15.727 5.053 ( 3.463 0.000 0.313) 3.477 5.112 ( 15.310 0.000 4.585) 15.981 5.187 ( 5.941 0.000 10.215) 11.817 5.237 ( 3.505 0.000 -2.614) 4.372 5.309 ( 1.485 0.000 4.520) 4.758 5.418 ( 2.675 0.000 -1.357) 2.999 5.441 ( 5.199 0.000 -9.624) 10.938 5.523 ( 3.502 0.000 -8.994) 9.652 5.667 ( 6.904 0.000 -6.087) 9.204 5.734 ( -8.938 0.000 5.988) 10.758 5.830 ( 2.312 0.000 1.766) 2.910 5.843 ( -5.455 0.000 3.807) 6.652 5.848 ( 5.093 0.000 5.321) 7.365 6.022 ( -5.294 0.000 2.225) 5.743 6.047 ( 0.933 0.000 -8.441) 8.493 6.109 ( -2.946 0.000 4.664) 5.516 6.305 ( -9.286 0.000 8.870) 12.842 6.359 ( -7.837 0.000 1.887) 8.061 6.366 ( -1.795 0.000 0.134) 1.800 6.477 ( -8.619 0.000 -3.997) 9.501 6.581 ( 3.299 0.000 -0.876) 3.413 6.617 ( -0.005 0.000 -8.480) 8.480 6.714 ( -10.815 0.000 -0.430) 10.824 6.745 ( 0.473 0.000 -1.494) 1.567 6.872 ( 6.745 0.000 -2.873) 7.331 6.888 ( -3.406 0.000 7.558) 8.290 6.920 ( 3.144 0.000 4.398) 5.406 6.963 ( -4.110 0.000 -7.619) 8.657 7.087 ( 7.446 0.000 -4.698) 8.804 7.172 ( 3.743 0.000 2.475) 4.487 7.292 ( -3.528 0.000 -1.370) 3.785 7.297 ( 2.385 0.000 -1.817) 2.998 7.318 ( 0.502 0.000 -9.046) 9.060 7.410 ( -5.025 0.000 -2.893) 5.799 7.412 ( 4.270 0.000 5.304) 6.809 7.434 ( 7.726 0.000 2.416) 8.095 7.439 ( -4.529 0.000 4.823) 6.616 7.516 ( 0.431 0.000 -0.624) 0.758 7.571 ( 1.105 0.000 1.145) 1.591 7.713 ( 0.530 0.000 -0.691) 0.871 7.742 ( 3.823 0.000 1.342) 4.052 7.806 ( -2.114 0.000 3.529) 4.114 7.871 ( -8.451 0.000 -3.524) 9.157 7.907 ( 1.553 0.000 -0.561) 1.651 7.970 ( 1.490 0.000 -1.521) 2.129 8.046 ( -3.655 0.000 0.355) 3.672 8.068 ( 5.883 0.000 4.159) 7.205 8.091 ( -1.056 0.000 3.918) 4.058 8.153 ( 4.139 0.000 -3.864) 5.662 8.156 ( -3.956 0.000 -3.878) 5.540 8.241 ( -2.216 0.000 -1.231) 2.535 8.260 ( -0.737 0.000 0.052) 0.739 8.302 ( -4.611 0.000 5.669) 7.308 8.353 ( 2.245 0.000 -2.279) 3.200 8.553 ( -8.173 0.000 0.446) 8.185 8.624 ( 5.008 0.000 0.639) 5.049 8.682 ( 5.660 0.000 2.121) 6.044 8.809 ( -5.555 0.000 -7.022) 8.954 8.857 ( -3.852 0.000 2.472) 4.577 8.910 ( -3.151 0.000 1.903) 3.681 8.912 ( -1.253 0.000 -9.033) 9.119 8.990 ( 2.702 0.000 6.361) 6.912 9.048 ( 0.298 0.000 -0.077) 0.308 9.103 ( -13.319 0.000 -1.001) 13.357 9.313 ( -7.878 0.000 6.775) 10.390 9.536 ( -4.539 0.000 -8.063) 9.253 9.565 ( -10.315 0.000 -4.401) 11.215 9.639 ( -10.267 0.000 3.868) 10.972 9.663 ( -1.940 0.000 -5.265) 5.611 9.780 ( -7.547 0.000 -3.456) 8.301 9.786 ( -8.339 0.000 -4.388) 9.423 9.924 ( -3.190 0.000 8.208) 8.806 10.122 ( -1.147 0.000 5.146) 5.272 10.139 ( 1.591 0.000 7.881) 8.040 10.232 ( 3.712 0.000 4.299) 5.680 10.259 ( 1.974 0.000 -0.456) 2.026 10.317 ( 4.138 0.000 -3.044) 5.137 10.386 ( 5.356 0.000 9.712) 11.091 10.406 ( 3.173 0.000 -2.614) 4.111 10.511 ( 8.128 0.000 1.168) 8.212 10.526 ( -5.837 0.000 1.716) 6.084 10.791 ( 7.141 0.000 0.712) 7.176 10.992 ( 3.459 0.000 9.866) 10.455 11.004 ( 2.691 0.000 -2.085) 3.404 11.392 ( -8.479 0.000 -8.392) 11.930 11.477 ( -6.689 0.000 7.919) 10.366 11.609 ( -9.255 0.000 3.301) 9.826 11.643 ( -3.000 0.000 -8.298) 8.824 11.829 ( 10.242 0.000 -16.769) 19.650 12.418 ( -11.846 0.000 -0.751) 11.870 12.455 ( -4.006 0.000 -1.044) 4.140 12.531 ( -4.755 0.000 -3.503) 5.906 12.610 ( -11.614 0.000 0.254) 11.617 13.818 ( 15.101 0.000 0.039) 15.101 13.921 ( 5.366 0.000 0.741) 5.417 14.057 ( 12.941 0.000 -4.602) 13.735 14.143 ( 7.791 0.000 -1.639) 7.961 14.153 ( 21.183 0.000 -0.045) 21.183 14.258 ( 2.294 0.000 -3.303) 4.022 14.455 ( 14.449 0.000 -3.671) 14.908 14.535 ( 2.543 0.000 4.915) 5.534 14.709 ( 7.096 0.000 3.115) 7.750 14.781 ( 5.052 0.000 -2.308) 5.554 14.876 ( 16.842 0.000 -4.717) 17.490 14.882 ( 25.598 0.000 16.147) 30.265 15.166 ( -1.844 0.000 0.446) 1.897 15.289 ( 8.071 0.000 1.602) 8.228 15.600 ( -4.505 0.000 9.060) 10.119 15.662 ( 0.495 0.000 -7.525) 7.542 15.755 ( -2.461 0.000 3.972) 4.672 15.981 ( -5.246 0.000 0.095) 5.247 15.988 ( 1.780 0.000 -3.340) 3.784 16.158 ( -0.672 0.000 -1.915) 2.030 18.517 ( -11.045 0.000 -1.620) 11.163 18.573 ( -11.737 0.000 1.434) 11.824 18.626 ( -8.634 0.000 0.358) 8.641 18.743 ( -6.979 0.000 0.068) 6.979 24.623 ( 0.828 0.000 1.035) 1.325 24.764 ( 2.038 0.000 -1.109) 2.320 25.006 ( 5.648 0.000 9.440) 11.001 25.165 ( 11.476 0.000 -3.593) 12.026 26.480 ( -1.629 0.000 2.325) 2.838 26.570 ( -0.110 0.000 -2.487) 2.489 26.709 ( -0.178 0.000 -1.563) 1.573 26.711 ( -0.748 0.000 2.795) 2.893 27.812 ( 0.480 0.000 0.783) 0.918 27.833 ( 0.352 0.000 1.013) 1.072 27.928 ( -0.458 0.000 0.502) 0.680 27.975 ( 0.254 0.000 -1.091) 1.120 28.384 ( 2.540 0.000 -0.887) 2.691 28.567 ( 11.275 0.000 0.683) 11.296 28.833 ( 0.133 0.000 3.554) 3.556 28.979 ( 2.352 0.000 -3.230) 3.996 29.011 ( 7.265 0.000 -3.210) 7.943 29.175 ( -8.401 0.000 -4.819) 9.685 29.382 ( -6.919 0.000 3.596) 7.798 29.447 ( 11.671 0.000 0.631) 11.688 29.674 ( -3.977 0.000 -11.808) 12.459 29.779 ( -10.869 0.000 10.515) 15.123 30.080 ( -5.196 0.000 -2.598) 5.810 30.117 ( 0.956 0.000 0.966) 1.359 30.207 ( 1.338 0.000 -3.024) 3.307 30.324 ( -2.537 0.000 1.428) 2.911 30.830 ( -8.752 0.000 0.783) 8.787 30.936 ( -10.071 0.000 -1.238) 10.146 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 13.120 0.000 -0.691) 13.138 1.920 ( -3.027 0.000 4.639) 5.540 2.113 ( 15.573 0.000 -0.336) 15.576 2.346 ( -3.059 0.000 3.110) 4.363 2.533 ( -15.015 0.000 6.686) 16.436 2.535 ( 6.697 0.000 -10.245) 12.239 2.737 ( -1.737 0.000 -1.361) 2.206 2.874 ( 18.469 0.000 -9.735) 20.878 2.918 ( -6.820 0.000 3.144) 7.510 3.008 ( -9.774 0.000 0.725) 9.801 3.043 ( -16.847 0.000 6.376) 18.013 3.095 ( -11.352 0.000 -4.285) 12.134 3.203 ( 14.733 0.000 17.348) 22.760 3.399 ( 5.750 0.000 1.610) 5.971 3.492 ( -8.634 0.000 10.209) 13.371 3.612 ( 5.767 0.000 2.318) 6.215 3.635 ( 6.392 0.000 -7.826) 10.104 3.702 ( -5.207 0.000 4.110) 6.634 3.767 ( -2.213 0.000 -6.762) 7.115 3.817 ( -5.593 0.000 2.885) 6.293 4.017 ( -6.075 0.000 2.246) 6.477 4.053 ( 8.798 0.000 -2.383) 9.115 4.097 ( 2.212 0.000 -5.600) 6.021 4.117 ( -3.573 0.000 5.604) 6.646 4.236 ( -1.217 0.000 -0.383) 1.276 4.363 ( -3.250 0.000 -11.125) 11.590 4.429 ( -3.965 0.000 0.864) 4.058 4.516 ( 12.271 0.000 -12.035) 17.188 4.596 ( 2.921 0.000 -1.345) 3.216 4.636 ( -9.095 0.000 -4.531) 10.162 4.729 ( 10.789 0.000 -16.200) 19.464 4.828 ( -1.727 0.000 -5.684) 5.940 4.838 ( 3.157 0.000 -2.466) 4.006 4.852 ( -3.216 0.000 5.276) 6.179 4.960 ( 6.915 0.000 14.965) 16.486 5.156 ( -12.743 0.000 10.582) 16.564 5.211 ( -1.517 0.000 -3.882) 4.167 5.285 ( -3.440 0.000 9.857) 10.440 5.295 ( 4.119 0.000 0.072) 4.119 5.413 ( 1.233 0.000 0.936) 1.548 5.468 ( 6.882 0.000 -16.881) 18.230 5.542 ( 5.702 0.000 12.482) 13.723 5.577 ( 4.457 0.000 -12.006) 12.807 5.645 ( 4.002 0.000 7.653) 8.636 5.763 ( 9.876 0.000 -1.811) 10.041 5.839 ( -4.083 0.000 15.250) 15.787 5.895 ( 3.453 0.000 -8.815) 9.467 5.914 ( -0.089 0.000 0.352) 0.363 5.922 ( -3.153 0.000 9.549) 10.056 6.097 ( 6.109 0.000 5.137) 7.982 6.110 ( 0.114 0.000 -1.475) 1.479 6.196 ( -8.787 0.000 -9.569) 12.992 6.240 ( -0.896 0.000 3.075) 3.203 6.335 ( -5.245 0.000 -2.006) 5.615 6.454 ( 6.280 0.000 10.200) 11.978 6.538 ( -0.291 0.000 6.127) 6.134 6.583 ( -0.183 0.000 -5.795) 5.798 6.630 ( 5.507 0.000 -10.820) 12.141 6.752 ( -4.180 0.000 -3.289) 5.318 6.836 ( -3.980 0.000 -3.217) 5.117 6.865 ( -4.917 0.000 10.713) 11.788 7.001 ( 1.169 0.000 4.477) 4.627 7.005 ( 4.279 0.000 3.963) 5.832 7.056 ( -6.769 0.000 -3.557) 7.647 7.136 ( -0.921 0.000 -1.412) 1.686 7.195 ( -7.808 0.000 -7.098) 10.552 7.261 ( -1.261 0.000 -5.916) 6.048 7.268 ( -2.821 0.000 -6.863) 7.420 7.416 ( 1.012 0.000 2.481) 2.680 7.417 ( 9.190 0.000 -3.333) 9.776 7.465 ( -2.607 0.000 -2.126) 3.364 7.506 ( 0.345 0.000 0.476) 0.588 7.583 ( 0.551 0.000 -1.085) 1.217 7.673 ( 0.332 0.000 5.641) 5.651 7.679 ( 7.673 0.000 6.626) 10.138 7.736 ( -4.580 0.000 -7.095) 8.445 7.815 ( 0.795 0.000 3.472) 3.561 7.847 ( 5.647 0.000 -0.135) 5.649 7.902 ( -2.778 0.000 0.450) 2.814 7.936 ( -2.919 0.000 6.378) 7.014 7.945 ( -1.815 0.000 -3.920) 4.320 8.033 ( -8.603 0.000 2.329) 8.912 8.040 ( 0.903 0.000 0.950) 1.311 8.184 ( 0.385 0.000 -4.324) 4.341 8.188 ( -0.818 0.000 0.689) 1.070 8.241 ( 6.212 0.000 5.819) 8.512 8.259 ( 0.430 0.000 -3.296) 3.324 8.293 ( -1.837 0.000 8.785) 8.976 8.416 ( 4.648 0.000 -10.338) 11.335 8.492 ( 4.078 0.000 -2.168) 4.619 8.555 ( -7.596 0.000 -3.584) 8.399 8.761 ( -3.900 0.000 -2.783) 4.791 8.814 ( -1.101 0.000 -0.900) 1.422 8.829 ( -2.540 0.000 4.952) 5.565 8.845 ( 1.881 0.000 1.175) 2.218 8.887 ( -1.970 0.000 2.065) 2.855 8.920 ( 8.471 0.000 -6.857) 10.898 8.999 ( -7.756 0.000 3.728) 8.605 9.103 ( 3.267 0.000 7.005) 7.729 9.243 ( -3.639 0.000 5.134) 6.293 9.373 ( -7.803 0.000 -1.236) 7.900 9.374 ( -5.125 0.000 -4.918) 7.103 9.506 ( -3.781 0.000 -2.775) 4.690 9.569 ( -3.176 0.000 -6.280) 7.038 9.653 ( -2.845 0.000 -1.463) 3.199 9.662 ( -1.660 0.000 -2.288) 2.826 9.934 ( -1.837 0.000 9.709) 9.881 10.098 ( -1.410 0.000 -0.086) 1.413 10.230 ( 1.138 0.000 6.464) 6.564 10.282 ( 2.230 0.000 0.487) 2.283 10.314 ( 2.186 0.000 -1.225) 2.505 10.382 ( 1.663 0.000 -3.147) 3.560 10.452 ( 2.957 0.000 0.711) 3.042 10.511 ( 2.136 0.000 6.023) 6.391 10.580 ( 3.402 0.000 3.329) 4.759 10.673 ( 6.290 0.000 -1.509) 6.469 10.923 ( 3.970 0.000 3.992) 5.630 11.036 ( -0.331 0.000 2.924) 2.943 11.123 ( 0.612 0.000 14.795) 14.807 11.233 ( -1.387 0.000 -4.636) 4.839 11.401 ( -5.095 0.000 2.419) 5.640 11.481 ( -5.268 0.000 4.055) 6.648 11.529 ( -1.724 0.000 -7.110) 7.316 11.828 ( 4.386 0.000 -23.734) 24.136 12.230 ( -4.473 0.000 -1.150) 4.619 12.327 ( -7.001 0.000 -4.431) 8.285 12.465 ( -1.152 0.000 -0.845) 1.428 12.478 ( -1.855 0.000 -0.523) 1.928 13.984 ( 0.628 0.000 0.931) 1.123 13.986 ( 4.150 0.000 -1.222) 4.326 14.206 ( 4.541 0.000 -1.130) 4.680 14.238 ( -0.266 0.000 -1.004) 1.039 14.329 ( 8.953 0.000 0.670) 8.978 14.441 ( 5.551 0.000 -3.307) 6.461 14.591 ( 0.415 0.000 5.421) 5.436 14.614 ( 5.642 0.000 -2.614) 6.218 14.786 ( 0.511 0.000 1.810) 1.881 14.848 ( 4.285 0.000 -4.343) 6.101 15.106 ( 9.004 0.000 -3.101) 9.523 15.128 ( -3.019 0.000 2.142) 3.702 15.331 ( 7.185 0.000 14.692) 16.355 15.445 ( -1.346 0.000 4.585) 4.779 15.610 ( 9.128 0.000 2.761) 9.536 15.640 ( 3.234 0.000 -7.608) 8.267 15.784 ( -1.532 0.000 6.128) 6.316 15.894 ( -3.175 0.000 2.583) 4.093 15.963 ( -1.019 0.000 -5.959) 6.046 16.112 ( -1.694 0.000 -5.110) 5.384 18.352 ( -3.738 0.000 -0.919) 3.849 18.380 ( -7.677 0.000 0.644) 7.704 18.536 ( -1.448 0.000 2.627) 3.000 18.636 ( -3.231 0.000 -1.654) 3.630 24.663 ( 1.828 0.000 2.488) 3.088 24.767 ( -0.447 0.000 -2.552) 2.591 25.150 ( 0.863 0.000 11.877) 11.909 25.337 ( 9.629 0.000 -6.744) 11.756 26.475 ( -0.552 0.000 2.566) 2.625 26.547 ( -0.266 0.000 -2.687) 2.700 26.703 ( 0.346 0.000 -0.556) 0.655 26.708 ( -1.168 0.000 1.725) 2.084 27.831 ( 0.927 0.000 0.819) 1.237 27.841 ( -0.089 0.000 0.657) 0.663 27.927 ( -0.279 0.000 1.183) 1.215 27.967 ( -0.078 0.000 -1.515) 1.517 28.430 ( 1.914 0.000 3.848) 4.298 28.768 ( 3.687 0.000 -6.495) 7.468 28.863 ( -0.518 0.000 4.404) 4.434 28.882 ( -0.587 0.000 -5.583) 5.614 29.046 ( -2.084 0.000 -1.314) 2.464 29.097 ( -1.347 0.000 -1.529) 2.038 29.319 ( 2.413 0.000 3.312) 4.097 29.556 ( -0.774 0.000 -7.357) 7.398 29.657 ( -8.159 0.000 8.841) 12.031 29.700 ( 8.456 0.000 -4.000) 9.354 29.930 ( -1.628 0.000 -0.807) 1.817 30.078 ( -7.629 0.000 -0.283) 7.635 30.241 ( -5.034 0.000 4.589) 6.812 30.256 ( 4.093 0.000 -2.822) 4.971 30.758 ( 1.081 0.000 -2.379) 2.613 30.783 ( -5.499 0.000 0.175) 5.502 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -10.575 0.000 1.976) 10.758 1.954 ( 0.096 0.000 0.267) 0.284 2.255 ( -10.247 0.000 -10.198) 14.456 2.357 ( -7.297 0.000 5.067) 8.884 2.468 ( -5.169 0.000 -8.013) 9.536 2.557 ( 21.984 0.000 1.119) 22.012 2.705 ( -11.608 0.000 7.443) 13.789 2.766 ( -1.707 0.000 -2.088) 2.697 2.893 ( -4.537 0.000 6.073) 7.581 2.950 ( 8.885 0.000 9.317) 12.874 2.974 ( 10.027 0.000 4.299) 10.910 3.217 ( 16.211 0.000 -9.800) 18.943 3.445 ( -10.438 0.000 -9.329) 13.999 3.457 ( -3.582 0.000 8.256) 9.000 3.535 ( 8.427 0.000 12.996) 15.490 3.556 ( -3.453 0.000 -4.128) 5.382 3.665 ( -1.511 0.000 -6.389) 6.565 3.729 ( 14.012 0.000 -7.566) 15.924 3.761 ( 3.141 0.000 -1.312) 3.404 3.865 ( 11.265 0.000 0.411) 11.272 3.921 ( -9.485 0.000 4.725) 10.597 4.074 ( 6.004 0.000 -2.637) 6.557 4.101 ( -13.654 0.000 7.460) 15.559 4.127 ( -5.223 0.000 -6.175) 8.088 4.182 ( 0.493 0.000 -7.090) 7.107 4.242 ( -7.555 0.000 6.361) 9.876 4.332 ( 5.586 0.000 -2.549) 6.141 4.536 ( 1.786 0.000 4.221) 4.583 4.580 ( -2.498 0.000 -11.622) 11.887 4.585 ( 0.002 0.000 -3.733) 3.733 4.706 ( -5.383 0.000 0.311) 5.392 4.712 ( -1.068 0.000 4.615) 4.737 4.786 ( -6.280 0.000 6.104) 8.757 4.845 ( -2.847 0.000 3.208) 4.289 5.052 ( -2.817 0.000 12.773) 13.080 5.194 ( -0.153 0.000 11.255) 11.256 5.211 ( 2.900 0.000 -9.375) 9.813 5.235 ( -1.599 0.000 0.069) 1.600 5.392 ( 6.913 0.000 -2.813) 7.464 5.409 ( -4.091 0.000 6.834) 7.965 5.447 ( -2.415 0.000 -14.306) 14.508 5.524 ( 1.580 0.000 -14.074) 14.162 5.659 ( 3.188 0.000 6.146) 6.923 5.738 ( -2.044 0.000 -9.518) 9.735 5.763 ( -3.773 0.000 5.821) 6.937 5.839 ( -5.488 0.000 7.784) 9.524 5.891 ( -4.249 0.000 -15.735) 16.299 5.953 ( -0.513 0.000 15.950) 15.958 5.977 ( -4.630 0.000 0.266) 4.638 6.030 ( 4.894 0.000 3.338) 5.924 6.119 ( 5.793 0.000 1.955) 6.114 6.183 ( 2.422 0.000 -5.970) 6.443 6.284 ( 1.552 0.000 1.667) 2.278 6.321 ( 3.684 0.000 1.329) 3.917 6.475 ( -7.616 0.000 -3.096) 8.221 6.568 ( 2.246 0.000 -3.884) 4.487 6.591 ( -1.790 0.000 -2.307) 2.920 6.657 ( -1.043 0.000 10.035) 10.089 6.668 ( -5.112 0.000 -8.504) 9.922 6.763 ( 8.136 0.000 2.253) 8.442 6.923 ( 4.452 0.000 7.090) 8.372 6.982 ( -0.951 0.000 1.152) 1.494 7.023 ( 2.712 0.000 7.077) 7.579 7.078 ( -4.380 0.000 -1.324) 4.575 7.087 ( -0.526 0.000 -2.024) 2.091 7.164 ( 4.288 0.000 0.944) 4.391 7.182 ( -2.535 0.000 -1.359) 2.876 7.215 ( 3.714 0.000 -6.979) 7.905 7.365 ( -8.281 0.000 1.795) 8.473 7.492 ( 5.590 0.000 -1.989) 5.933 7.498 ( 2.505 0.000 -3.398) 4.222 7.515 ( 0.903 0.000 -0.358) 0.972 7.578 ( 2.605 0.000 2.217) 3.421 7.610 ( -1.818 0.000 -5.661) 5.946 7.740 ( 0.844 0.000 1.737) 1.931 7.756 ( -3.461 0.000 2.671) 4.372 7.833 ( -1.178 0.000 -0.615) 1.329 7.884 ( -1.479 0.000 -0.491) 1.559 7.900 ( -0.266 0.000 0.633) 0.687 7.916 ( 0.876 0.000 -5.673) 5.740 7.975 ( 2.302 0.000 1.941) 3.011 8.025 ( 10.084 0.000 2.922) 10.499 8.089 ( -6.711 0.000 -2.486) 7.156 8.129 ( 2.201 0.000 5.847) 6.248 8.212 ( 0.887 0.000 2.641) 2.786 8.244 ( 0.186 0.000 -7.637) 7.639 8.281 ( 1.972 0.000 2.050) 2.844 8.358 ( -1.512 0.000 -5.647) 5.846 8.432 ( -4.508 0.000 -2.897) 5.358 8.445 ( 7.537 0.000 6.865) 10.195 8.542 ( -2.442 0.000 -9.503) 9.812 8.645 ( 8.908 0.000 3.345) 9.516 8.810 ( -6.313 0.000 3.345) 7.144 8.814 ( -6.068 0.000 2.395) 6.523 8.845 ( 0.391 0.000 1.638) 1.684 8.865 ( -1.289 0.000 0.851) 1.545 9.002 ( 5.844 0.000 -4.437) 7.337 9.035 ( 4.626 0.000 -3.278) 5.669 9.200 ( -3.344 0.000 -0.513) 3.383 9.204 ( 1.678 0.000 10.299) 10.434 9.305 ( 5.137 0.000 -0.007) 5.137 9.346 ( 3.121 0.000 0.306) 3.136 9.485 ( 2.543 0.000 1.597) 3.003 9.531 ( 3.621 0.000 -4.422) 5.715 9.640 ( 1.545 0.000 -0.010) 1.545 9.649 ( 1.857 0.000 -2.144) 2.837 9.982 ( -0.282 0.000 10.528) 10.532 10.073 ( -0.454 0.000 -3.160) 3.193 10.253 ( -2.237 0.000 4.295) 4.842 10.293 ( -3.296 0.000 -0.360) 3.316 10.331 ( 0.794 0.000 1.330) 1.549 10.332 ( -1.986 0.000 -4.187) 4.634 10.511 ( 0.554 0.000 2.063) 2.136 10.513 ( -3.132 0.000 -4.117) 5.173 10.602 ( -3.929 0.000 7.105) 8.119 10.695 ( -0.745 0.000 -5.484) 5.535 10.947 ( -9.205 0.000 1.982) 9.416 10.981 ( -3.058 0.000 8.657) 9.181 11.165 ( -3.357 0.000 4.549) 5.654 11.329 ( 9.003 0.000 -1.189) 9.081 11.358 ( -1.116 0.000 9.368) 9.434 11.496 ( 2.603 0.000 6.169) 6.696 11.518 ( 5.787 0.000 -8.763) 10.502 11.715 ( 1.365 0.000 -22.852) 22.893 12.237 ( 1.728 0.000 -2.504) 3.042 12.279 ( 8.535 0.000 0.903) 8.583 12.466 ( 0.911 0.000 -1.156) 1.472 12.473 ( 2.649 0.000 -0.130) 2.653 13.964 ( -3.383 0.000 0.959) 3.517 14.005 ( -1.012 0.000 -1.182) 1.556 14.188 ( -5.815 0.000 0.356) 5.826 14.223 ( -1.712 0.000 0.674) 1.840 14.365 ( -9.584 0.000 -3.200) 10.104 14.390 ( -4.968 0.000 1.903) 5.319 14.580 ( -5.035 0.000 1.582) 5.278 14.664 ( 1.427 0.000 -2.541) 2.914 14.765 ( -3.662 0.000 3.798) 5.276 14.866 ( 0.271 0.000 -5.999) 6.005 15.045 ( -9.194 0.000 2.818) 9.616 15.168 ( 0.655 0.000 -1.836) 1.949 15.383 ( -7.365 0.000 9.170) 11.762 15.427 ( -2.058 0.000 8.335) 8.585 15.663 ( 3.073 0.000 -5.180) 6.023 15.671 ( -6.680 0.000 -11.397) 13.210 15.839 ( 6.128 0.000 4.322) 7.499 15.923 ( 2.790 0.000 -7.571) 8.069 15.951 ( 3.247 0.000 11.418) 11.871 16.035 ( -1.506 0.000 -7.246) 7.401 18.339 ( 3.480 0.000 0.368) 3.500 18.392 ( 7.983 0.000 -0.502) 7.998 18.593 ( 4.924 0.000 2.544) 5.542 18.605 ( 1.970 0.000 -3.934) 4.400 24.713 ( 1.146 0.000 2.870) 3.091 24.719 ( -2.208 0.000 -3.123) 3.824 25.178 ( -5.165 0.000 8.789) 10.195 25.413 ( 4.464 0.000 -13.185) 13.920 26.492 ( 0.269 0.000 2.775) 2.788 26.529 ( 0.487 0.000 -2.806) 2.848 26.690 ( -1.597 0.000 1.055) 1.914 26.715 ( 0.810 0.000 0.406) 0.906 27.837 ( -0.495 0.000 0.000) 0.495 27.853 ( 1.029 0.000 -0.297) 1.071 27.933 ( -0.150 0.000 1.820) 1.826 27.953 ( -0.382 0.000 -1.545) 1.592 28.536 ( 3.533 0.000 13.123) 13.590 28.577 ( -7.635 0.000 -8.894) 11.722 28.816 ( -7.625 0.000 2.432) 8.003 28.948 ( -0.618 0.000 -3.992) 4.040 29.022 ( -2.043 0.000 1.646) 2.624 29.075 ( 4.653 0.000 0.301) 4.663 29.405 ( -5.742 0.000 -5.153) 7.715 29.412 ( -0.823 0.000 6.319) 6.372 29.612 ( -3.980 0.000 4.965) 6.363 29.800 ( 8.850 0.000 -5.624) 10.486 29.920 ( -2.662 0.000 0.470) 2.703 30.060 ( 7.502 0.000 1.279) 7.610 30.199 ( -3.220 0.000 2.689) 4.195 30.311 ( 3.337 0.000 -2.262) 4.032 30.737 ( 1.523 0.000 -0.321) 1.556 30.801 ( 4.363 0.000 -1.612) 4.651 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -28.311 0.000 5.455) 28.832 1.814 ( -23.895 0.000 16.230) 28.886 2.090 ( 1.240 0.000 -15.988) 16.036 2.300 ( 9.780 0.000 -0.186) 9.782 2.439 ( 3.138 0.000 3.478) 4.684 2.695 ( -10.804 0.000 -1.601) 10.922 2.752 ( 10.635 0.000 -1.444) 10.733 2.794 ( -1.464 0.000 1.233) 1.914 3.037 ( -13.482 0.000 16.827) 21.562 3.043 ( 0.164 0.000 4.726) 4.729 3.177 ( 6.626 0.000 -8.339) 10.651 3.195 ( 4.901 0.000 -1.555) 5.142 3.314 ( 1.800 0.000 -7.537) 7.749 3.344 ( -12.695 0.000 6.024) 14.052 3.372 ( -0.868 0.000 -8.838) 8.880 3.558 ( -9.092 0.000 2.879) 9.536 3.657 ( -1.604 0.000 1.814) 2.421 3.743 ( 5.506 0.000 2.263) 5.953 3.833 ( -5.295 0.000 1.079) 5.404 3.978 ( 4.236 0.000 -7.159) 8.318 4.020 ( 17.643 0.000 -11.522) 21.072 4.057 ( 13.582 0.000 0.418) 13.588 4.126 ( -1.534 0.000 3.769) 4.069 4.204 ( 9.250 0.000 -0.838) 9.288 4.235 ( -3.975 0.000 -4.805) 6.237 4.318 ( 5.970 0.000 -12.197) 13.579 4.395 ( 10.842 0.000 5.497) 12.156 4.450 ( 2.422 0.000 7.390) 7.777 4.549 ( 0.087 0.000 0.844) 0.849 4.637 ( 3.443 0.000 10.651) 11.194 4.648 ( -1.654 0.000 -2.611) 3.090 4.728 ( -3.834 0.000 0.558) 3.875 4.731 ( -2.127 0.000 -2.212) 3.068 4.914 ( 4.980 0.000 7.109) 8.679 5.022 ( -9.653 0.000 9.649) 13.649 5.062 ( -8.017 0.000 -8.420) 11.626 5.134 ( -0.248 0.000 14.516) 14.518 5.245 ( -17.858 0.000 0.814) 17.877 5.278 ( -11.470 0.000 -5.586) 12.758 5.297 ( -5.273 0.000 -13.878) 14.846 5.354 ( 0.077 0.000 5.258) 5.259 5.419 ( -4.650 0.000 -3.615) 5.890 5.560 ( -9.274 0.000 -12.677) 15.707 5.568 ( -7.984 0.000 6.760) 10.461 5.800 ( -1.771 0.000 6.284) 6.528 5.875 ( 7.504 0.000 0.789) 7.546 5.881 ( 11.152 0.000 -9.825) 14.863 5.919 ( 0.665 0.000 1.307) 1.466 6.004 ( -4.102 0.000 2.712) 4.917 6.089 ( 0.164 0.000 -4.693) 4.696 6.133 ( 0.538 0.000 -1.568) 1.658 6.310 ( 4.057 0.000 5.926) 7.181 6.365 ( 6.371 0.000 2.872) 6.988 6.394 ( 10.218 0.000 -0.906) 10.258 6.456 ( 2.238 0.000 0.374) 2.269 6.559 ( 1.614 0.000 -10.955) 11.074 6.598 ( 1.075 0.000 -3.436) 3.600 6.683 ( 7.458 0.000 1.421) 7.592 6.690 ( 0.220 0.000 9.382) 9.385 6.766 ( -2.268 0.000 1.384) 2.657 6.934 ( -5.888 0.000 0.935) 5.962 6.939 ( -3.716 0.000 -2.678) 4.580 7.020 ( -5.588 0.000 1.137) 5.702 7.064 ( 1.430 0.000 9.333) 9.442 7.138 ( 1.695 0.000 -9.207) 9.361 7.157 ( -0.696 0.000 5.857) 5.898 7.225 ( 3.349 0.000 5.786) 6.685 7.275 ( 0.459 0.000 0.230) 0.513 7.361 ( 7.514 0.000 -0.202) 7.517 7.454 ( -3.530 0.000 1.076) 3.691 7.464 ( -9.117 0.000 -0.321) 9.122 7.551 ( -5.286 0.000 -3.569) 6.379 7.553 ( -0.117 0.000 -3.628) 3.630 7.618 ( 5.318 0.000 -4.519) 6.978 7.731 ( -4.294 0.000 -2.578) 5.009 7.760 ( -0.792 0.000 -2.630) 2.747 7.797 ( 7.362 0.000 4.100) 8.427 7.886 ( -0.804 0.000 -0.624) 1.018 7.889 ( -3.262 0.000 -1.625) 3.645 7.919 ( 1.495 0.000 2.388) 2.818 7.994 ( 3.523 0.000 1.515) 3.835 8.042 ( 0.756 0.000 5.921) 5.969 8.066 ( -4.050 0.000 -0.021) 4.050 8.166 ( -3.505 0.000 -1.119) 3.679 8.255 ( 4.530 0.000 -4.908) 6.679 8.263 ( 1.965 0.000 4.603) 5.005 8.279 ( -0.713 0.000 -9.392) 9.419 8.368 ( -1.140 0.000 -5.367) 5.486 8.401 ( 9.360 0.000 -2.637) 9.724 8.564 ( 8.688 0.000 -2.842) 9.141 8.616 ( -0.233 0.000 5.096) 5.102 8.656 ( 0.841 0.000 2.435) 2.576 8.673 ( -7.822 0.000 1.458) 7.957 8.834 ( 5.457 0.000 0.909) 5.532 8.883 ( 1.845 0.000 5.125) 5.447 8.971 ( -2.205 0.000 -7.872) 8.175 9.028 ( -1.930 0.000 1.210) 2.278 9.050 ( 13.746 0.000 4.318) 14.408 9.114 ( -3.353 0.000 -4.271) 5.430 9.328 ( 2.396 0.000 10.765) 11.029 9.443 ( 4.827 0.000 5.267) 7.144 9.465 ( 9.593 0.000 -7.532) 12.197 9.605 ( 5.862 0.000 3.868) 7.024 9.688 ( 9.701 0.000 4.568) 10.722 9.702 ( 4.152 0.000 2.505) 4.849 9.723 ( 10.090 0.000 -3.865) 10.805 10.030 ( -1.427 0.000 -3.379) 3.668 10.056 ( -1.801 0.000 11.516) 11.656 10.233 ( 1.739 0.000 2.105) 2.730 10.247 ( -1.472 0.000 -2.460) 2.867 10.272 ( -7.717 0.000 0.196) 7.720 10.282 ( 0.339 0.000 0.946) 1.005 10.428 ( -0.972 0.000 -4.324) 4.432 10.527 ( -7.645 0.000 2.074) 7.921 10.532 ( 3.845 0.000 0.309) 3.858 10.605 ( -2.097 0.000 -9.907) 10.126 10.778 ( -8.611 0.000 2.241) 8.898 10.895 ( -8.908 0.000 7.916) 11.917 11.212 ( 4.086 0.000 7.826) 8.828 11.313 ( -5.271 0.000 -21.167) 21.814 11.420 ( -2.959 0.000 13.842) 14.154 11.599 ( 8.577 0.000 -4.601) 9.733 11.616 ( 5.150 0.000 4.827) 7.058 11.720 ( 10.186 0.000 -7.955) 12.924 12.369 ( 10.366 0.000 3.448) 10.925 12.448 ( 6.380 0.000 -0.111) 6.380 12.506 ( 4.442 0.000 -1.505) 4.690 12.613 ( 12.795 0.000 -0.065) 12.795 13.831 ( -12.692 0.000 -1.057) 12.736 13.923 ( -7.577 0.000 0.394) 7.587 13.984 ( -17.093 0.000 1.865) 17.195 14.121 ( -10.822 0.000 0.179) 10.824 14.139 ( -19.020 0.000 1.229) 19.059 14.204 ( -2.603 0.000 1.903) 3.225 14.415 ( -12.795 0.000 1.305) 12.861 14.625 ( -3.258 0.000 -3.646) 4.890 14.719 ( -4.378 0.000 4.025) 5.947 14.771 ( -6.143 0.000 -4.281) 7.488 14.812 ( -14.330 0.000 1.902) 14.456 15.155 ( -1.962 0.000 -0.609) 2.054 15.287 ( -4.387 0.000 1.754) 4.725 15.315 ( -18.498 0.000 -23.348) 29.787 15.496 ( 1.114 0.000 8.898) 8.967 15.715 ( 5.115 0.000 -3.585) 6.246 15.886 ( -1.956 0.000 -7.852) 8.092 15.907 ( -0.457 0.000 4.639) 4.662 16.029 ( 5.072 0.000 -4.196) 6.583 16.094 ( 3.659 0.000 4.985) 6.184 18.493 ( 10.891 0.000 0.746) 10.917 18.598 ( 12.352 0.000 -0.979) 12.391 18.661 ( 6.697 0.000 -3.453) 7.535 18.732 ( 7.635 0.000 1.256) 7.738 24.657 ( -1.976 0.000 -2.304) 3.035 24.734 ( -0.760 0.000 1.930) 2.074 25.089 ( -8.215 0.000 4.449) 9.342 25.295 ( -5.588 0.000 -19.990) 20.756 26.516 ( 0.098 0.000 2.772) 2.774 26.531 ( 1.632 0.000 -2.748) 3.196 26.670 ( -1.368 0.000 2.179) 2.573 26.733 ( 0.695 0.000 0.251) 0.739 27.824 ( -0.733 0.000 -0.374) 0.823 27.861 ( 0.308 0.000 -1.734) 1.761 27.934 ( -0.636 0.000 -0.495) 0.806 27.944 ( -0.070 0.000 1.891) 1.892 28.415 ( -5.199 0.000 -3.392) 6.207 28.564 ( -9.147 0.000 1.606) 9.287 28.839 ( 6.244 0.000 13.067) 14.482 28.900 ( -1.223 0.000 -2.099) 2.430 28.999 ( -7.585 0.000 -3.199) 8.232 29.050 ( 3.234 0.000 7.365) 8.044 29.412 ( -4.868 0.000 7.252) 8.734 29.446 ( 8.688 0.000 -2.533) 9.049 29.467 ( -7.502 0.000 4.290) 8.642 29.925 ( 6.291 0.000 -4.537) 7.756 30.036 ( 7.278 0.000 1.612) 7.454 30.145 ( 2.803 0.000 -1.745) 3.302 30.153 ( -2.007 0.000 2.378) 3.112 30.327 ( -1.210 0.000 0.478) 1.301 30.863 ( 11.748 0.000 -2.344) 11.979 30.909 ( 7.641 0.000 1.495) 7.786 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -3.083 0.000 28.659) 28.824 1.514 ( -19.219 0.000 29.035) 34.819 2.054 ( 8.428 0.000 -18.327) 20.172 2.129 ( -39.369 0.000 17.855) 43.229 2.495 ( -2.176 0.000 -1.987) 2.947 2.516 ( 4.428 0.000 -7.549) 8.752 2.806 ( 2.852 0.000 -0.222) 2.861 2.896 ( -4.763 0.000 -13.032) 13.875 2.898 ( -0.167 0.000 -4.124) 4.128 2.997 ( -7.840 0.000 0.615) 7.864 3.188 ( 12.041 0.000 -1.902) 12.191 3.209 ( 6.149 0.000 16.066) 17.203 3.305 ( 3.470 0.000 4.391) 5.597 3.333 ( 3.105 0.000 1.422) 3.415 3.427 ( 0.885 0.000 3.792) 3.894 3.565 ( -4.929 0.000 11.075) 12.122 3.699 ( 6.367 0.000 2.351) 6.787 3.736 ( -4.084 0.000 -4.944) 6.412 3.812 ( -10.347 0.000 -11.109) 15.181 3.930 ( 10.983 0.000 -1.763) 11.124 4.003 ( 1.736 0.000 -9.890) 10.041 4.137 ( -2.111 0.000 2.292) 3.116 4.189 ( -2.536 0.000 -4.821) 5.447 4.248 ( 3.652 0.000 -0.210) 3.658 4.364 ( 6.012 0.000 -2.012) 6.340 4.426 ( -1.101 0.000 1.110) 1.563 4.466 ( 6.601 0.000 -4.230) 7.840 4.554 ( -4.058 0.000 -6.785) 7.906 4.578 ( 0.466 0.000 4.218) 4.243 4.630 ( 0.306 0.000 -2.680) 2.698 4.700 ( -2.037 0.000 -1.221) 2.375 4.727 ( -1.708 0.000 1.133) 2.050 4.786 ( -11.160 0.000 -4.609) 12.074 4.866 ( 11.439 0.000 1.428) 11.527 4.906 ( -3.392 0.000 -1.340) 3.647 4.947 ( -2.741 0.000 -3.255) 4.255 5.059 ( -2.901 0.000 14.346) 14.637 5.101 ( 7.796 0.000 -20.208) 21.660 5.207 ( -4.362 0.000 -12.280) 13.032 5.210 ( -5.603 0.000 3.729) 6.730 5.233 ( -0.041 0.000 10.611) 10.611 5.289 ( -10.030 0.000 11.480) 15.244 5.447 ( 3.538 0.000 -1.063) 3.694 5.535 ( 3.373 0.000 3.290) 4.712 5.718 ( -10.646 0.000 -8.274) 13.483 5.904 ( 2.861 0.000 -0.665) 2.937 5.947 ( 1.651 0.000 6.328) 6.539 5.998 ( 2.087 0.000 -6.252) 6.591 6.028 ( 7.059 0.000 -3.584) 7.917 6.068 ( -0.176 0.000 -6.248) 6.251 6.261 ( -8.887 0.000 4.053) 9.767 6.285 ( 10.801 0.000 4.351) 11.645 6.451 ( -7.772 0.000 -0.224) 7.776 6.504 ( 1.536 0.000 3.553) 3.871 6.539 ( -2.614 0.000 -1.041) 2.814 6.605 ( 9.997 0.000 2.062) 10.208 6.620 ( 8.630 0.000 0.898) 8.677 6.713 ( -0.309 0.000 -2.990) 3.006 6.739 ( -0.338 0.000 1.960) 1.989 6.787 ( 3.040 0.000 -0.509) 3.083 6.921 ( 0.570 0.000 3.842) 3.884 6.935 ( 7.021 0.000 2.179) 7.351 7.033 ( 5.815 0.000 -3.009) 6.547 7.097 ( -10.099 0.000 3.856) 10.810 7.117 ( 0.941 0.000 -4.940) 5.029 7.156 ( 2.132 0.000 5.987) 6.355 7.195 ( -11.070 0.000 -0.811) 11.099 7.269 ( 3.132 0.000 7.542) 8.167 7.336 ( -0.067 0.000 0.738) 0.741 7.366 ( -10.297 0.000 -2.813) 10.674 7.459 ( 2.165 0.000 3.138) 3.812 7.484 ( 1.986 0.000 0.190) 1.995 7.543 ( 2.019 0.000 -2.098) 2.911 7.608 ( -1.575 0.000 -2.605) 3.045 7.696 ( 0.054 0.000 1.588) 1.589 7.719 ( -2.295 0.000 -1.049) 2.523 7.858 ( 0.281 0.000 0.065) 0.288 7.875 ( 0.275 0.000 0.337) 0.434 7.897 ( -3.839 0.000 0.185) 3.843 7.928 ( -4.373 0.000 -2.764) 5.173 8.011 ( -3.683 0.000 5.684) 6.773 8.015 ( 4.370 0.000 -0.805) 4.444 8.088 ( 0.934 0.000 -1.033) 1.392 8.104 ( 0.689 0.000 0.428) 0.811 8.250 ( -4.791 0.000 3.322) 5.830 8.260 ( -1.907 0.000 -5.452) 5.776 8.282 ( 2.759 0.000 -4.605) 5.368 8.323 ( 3.488 0.000 -4.287) 5.527 8.499 ( -4.360 0.000 -4.204) 6.057 8.524 ( -4.379 0.000 -4.881) 6.557 8.583 ( 6.401 0.000 -1.773) 6.642 8.708 ( 2.314 0.000 -0.753) 2.433 8.825 ( 5.141 0.000 11.452) 12.553 8.854 ( -4.564 0.000 3.815) 5.949 8.957 ( 6.157 0.000 -0.342) 6.166 9.010 ( 6.597 0.000 3.610) 7.520 9.046 ( 0.268 0.000 -5.172) 5.179 9.063 ( 5.421 0.000 -1.437) 5.608 9.315 ( 9.810 0.000 4.181) 10.664 9.454 ( 3.897 0.000 9.279) 10.064 9.556 ( 6.371 0.000 -6.340) 8.988 9.598 ( 4.758 0.000 11.003) 11.988 9.704 ( 3.926 0.000 0.267) 3.935 9.790 ( 0.912 0.000 4.950) 5.034 9.822 ( 3.813 0.000 2.901) 4.791 9.915 ( 7.884 0.000 -3.723) 8.719 10.010 ( 1.571 0.000 -0.217) 1.586 10.014 ( -7.277 0.000 9.233) 11.756 10.122 ( -6.070 0.000 -0.506) 6.091 10.189 ( -2.221 0.000 -2.195) 3.123 10.298 ( 1.025 0.000 -8.650) 8.710 10.346 ( -9.456 0.000 -0.810) 9.491 10.370 ( -1.178 0.000 -6.933) 7.033 10.458 ( -2.484 0.000 -16.043) 16.234 10.496 ( 15.971 0.000 10.872) 19.320 10.699 ( -0.189 0.000 0.381) 0.425 10.816 ( -5.671 0.000 9.174) 10.785 10.900 ( 29.220 0.000 1.162) 29.243 11.081 ( 0.981 0.000 -11.351) 11.393 11.303 ( -7.182 0.000 12.296) 14.240 11.451 ( 2.432 0.000 8.664) 8.998 11.725 ( 7.803 0.000 -6.153) 9.937 11.735 ( 3.988 0.000 3.648) 5.405 11.873 ( 10.020 0.000 -8.587) 13.196 12.555 ( 5.769 0.000 -0.418) 5.784 12.569 ( 5.164 0.000 4.349) 6.751 12.646 ( 11.276 0.000 0.331) 11.280 12.855 ( 10.349 0.000 -1.844) 10.512 13.499 ( -16.122 0.000 -1.475) 16.189 13.591 ( -24.638 0.000 4.781) 25.098 13.629 ( -22.862 0.000 2.249) 22.972 13.836 ( -12.006 0.000 -1.628) 12.116 14.006 ( -4.549 0.000 3.030) 5.466 14.154 ( -10.913 0.000 -2.193) 11.131 14.170 ( -6.214 0.000 0.368) 6.225 14.315 ( -37.867 0.000 -16.876) 41.457 14.592 ( -6.846 0.000 1.505) 7.009 14.603 ( -6.666 0.000 -2.241) 7.033 14.674 ( -9.864 0.000 -7.969) 12.681 14.685 ( -3.185 0.000 0.692) 3.259 15.175 ( -0.190 0.000 1.101) 1.118 15.244 ( -0.609 0.000 -2.337) 2.415 15.570 ( -0.036 0.000 6.946) 6.947 15.750 ( 0.425 0.000 -6.633) 6.647 15.842 ( 2.823 0.000 -1.562) 3.226 15.912 ( -1.395 0.000 2.763) 3.095 16.108 ( 4.835 0.000 -2.436) 5.414 16.146 ( 0.187 0.000 1.394) 1.407 18.703 ( 9.029 0.000 0.970) 9.081 18.787 ( 7.259 0.000 -1.602) 7.434 18.807 ( 8.749 0.000 -0.068) 8.749 18.877 ( 6.150 0.000 0.535) 6.173 24.627 ( 0.045 0.000 -0.724) 0.726 24.710 ( -2.382 0.000 0.380) 2.412 24.952 ( -7.368 0.000 1.018) 7.438 24.987 ( -11.688 0.000 -11.571) 16.447 26.529 ( -0.770 0.000 2.745) 2.851 26.551 ( 2.178 0.000 -2.602) 3.393 26.670 ( -0.703 0.000 3.565) 3.634 26.742 ( 0.357 0.000 -0.607) 0.704 27.809 ( -0.524 0.000 -0.230) 0.572 27.840 ( -1.006 0.000 -1.743) 2.013 27.932 ( 0.332 0.000 0.873) 0.934 27.952 ( -0.295 0.000 1.424) 1.454 28.325 ( -3.049 0.000 -0.075) 3.050 28.403 ( -6.532 0.000 -0.699) 6.569 28.870 ( -1.966 0.000 -2.927) 3.526 28.897 ( 0.527 0.000 1.403) 1.499 28.904 ( -1.853 0.000 1.245) 2.232 29.149 ( -6.605 0.000 1.553) 6.786 29.345 ( 2.895 0.000 3.384) 4.454 29.564 ( 5.197 0.000 -5.613) 7.649 29.659 ( 15.971 0.000 16.177) 22.732 29.965 ( 1.097 0.000 -1.073) 1.535 30.053 ( -2.857 0.000 0.954) 3.012 30.155 ( -2.061 0.000 -0.605) 2.148 30.198 ( 0.702 0.000 2.183) 2.293 30.312 ( 1.926 0.000 -4.204) 4.624 31.083 ( 11.035 0.000 -1.588) 11.149 31.116 ( 10.877 0.000 2.426) 11.144 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -1.773 -0.939 25.653) 25.731 1.725 ( 0.562 16.742 29.280) 33.733 1.778 ( 1.750 -4.866 -15.968) 16.785 2.322 ( 2.944 9.648 -28.489) 30.222 2.422 ( -0.224 16.803 11.567) 20.401 2.600 ( -1.960 -1.360 -4.529) 5.119 2.727 ( 2.529 9.879 5.103) 11.403 2.833 ( -1.735 3.272 -5.603) 6.716 2.931 ( 3.292 4.135 8.529) 10.034 3.096 ( -2.691 12.821 -7.951) 15.324 3.148 ( -5.320 -8.970 6.476) 12.277 3.238 ( 3.740 -10.167 -2.150) 11.044 3.300 ( 10.242 -14.094 6.220) 18.499 3.479 ( 2.757 -7.077 -3.291) 8.278 3.534 ( 3.169 1.462 5.123) 6.199 3.628 ( 2.610 2.460 -2.827) 4.567 3.709 ( -2.686 -0.875 4.615) 5.410 3.761 ( 0.117 0.922 -2.633) 2.792 3.787 ( -5.695 -2.713 -1.034) 6.392 3.865 ( 0.030 -1.243 2.027) 2.378 3.990 ( 3.986 4.543 4.915) 7.790 3.994 ( -0.937 1.564 6.959) 7.194 4.220 ( -9.669 1.758 -2.793) 10.217 4.285 ( 0.311 -1.024 2.248) 2.490 4.339 ( -8.573 -0.678 3.164) 9.163 4.353 ( -2.577 -0.745 1.842) 3.254 4.432 ( -1.245 2.992 0.024) 3.240 4.442 ( 5.217 2.502 -9.596) 11.206 4.494 ( -0.152 -1.150 -3.270) 3.469 4.627 ( 1.690 2.466 0.425) 3.020 4.648 ( -2.736 3.593 -4.362) 6.279 4.723 ( 1.672 3.743 -15.693) 16.219 4.820 ( -3.939 -1.612 1.830) 4.633 4.873 ( 4.974 0.813 -1.332) 5.213 4.901 ( -3.790 3.124 -6.788) 8.378 4.950 ( 2.267 -1.312 -7.055) 7.525 5.029 ( -8.576 3.111 6.899) 11.437 5.131 ( 12.318 3.055 -1.105) 12.739 5.166 ( -0.879 1.731 4.732) 5.115 5.266 ( -3.163 -0.046 -4.258) 5.305 5.379 ( -1.693 5.966 7.194) 9.497 5.446 ( 4.173 1.867 -0.925) 4.665 5.513 ( 4.135 -8.881 16.740) 19.396 5.551 ( -0.247 -0.775 5.050) 5.115 5.643 ( -0.645 6.309 -4.783) 7.943 5.728 ( -0.560 -8.441 1.600) 8.610 5.790 ( -6.051 -8.589 2.008) 10.697 5.865 ( -1.488 -5.401 0.981) 5.687 5.946 ( 6.119 -9.204 -5.706) 12.438 6.011 ( 1.306 -6.242 -16.820) 17.988 6.194 ( -9.514 -2.494 0.797) 9.868 6.251 ( 4.277 -1.129 -5.142) 6.783 6.445 ( 2.494 -11.654 3.874) 12.532 6.499 ( 4.578 -6.830 4.052) 9.167 6.522 ( -3.635 -3.042 -2.667) 5.439 6.559 ( -1.805 -5.310 1.646) 5.845 6.642 ( 3.135 -0.285 2.176) 3.826 6.718 ( 1.925 -0.851 -2.151) 3.009 6.769 ( -5.683 -8.952 -2.100) 10.810 6.790 ( 3.594 -5.810 -1.532) 7.001 6.901 ( 2.795 4.555 3.826) 6.573 6.962 ( -2.090 1.683 -1.611) 3.129 7.010 ( -1.222 0.404 4.920) 5.085 7.092 ( -0.748 3.713 -2.321) 4.442 7.125 ( -4.525 0.972 -3.037) 5.536 7.199 ( 0.608 0.336 -3.566) 3.634 7.213 ( 3.847 2.226 1.843) 4.811 7.286 ( -3.839 4.036 1.834) 5.865 7.329 ( 2.105 -0.941 2.175) 3.170 7.372 ( 0.194 1.583 0.168) 1.604 7.414 ( 0.411 -3.388 1.765) 3.842 7.488 ( 2.889 -6.360 -2.760) 7.511 7.581 ( 2.616 1.763 2.572) 4.071 7.622 ( -3.895 3.183 -1.197) 5.170 7.682 ( 6.161 3.385 4.713) 8.463 7.748 ( -5.063 -0.133 -0.866) 5.138 7.848 ( -0.584 2.110 5.989) 6.376 7.892 ( 3.482 3.958 1.902) 5.604 7.917 ( -6.623 4.319 0.084) 7.907 7.949 ( 1.444 1.865 -5.023) 5.549 8.013 ( 0.926 2.138 0.736) 2.443 8.093 ( 0.815 6.873 -3.594) 7.799 8.131 ( -2.232 3.539 6.787) 7.973 8.145 ( 0.031 0.578 -0.195) 0.611 8.224 ( 0.754 1.899 -1.407) 2.481 8.335 ( -3.072 5.479 0.343) 6.291 8.364 ( 4.365 0.868 -4.038) 6.009 8.408 ( 1.882 8.615 -7.857) 11.811 8.423 ( 2.945 5.860 1.961) 6.845 8.477 ( -2.085 5.135 -2.275) 5.991 8.672 ( -5.265 3.610 0.581) 6.410 8.690 ( 0.449 4.100 -0.858) 4.212 8.839 ( -2.983 -2.076 6.880) 7.781 8.936 ( 0.931 -1.599 1.123) 2.164 9.017 ( -0.650 -2.213 0.975) 2.504 9.041 ( 3.101 -1.715 4.219) 5.510 9.065 ( 0.853 -0.006 -1.466) 1.696 9.153 ( 1.342 1.576 -4.004) 4.507 9.383 ( 1.397 -6.715 7.286) 10.007 9.447 ( -2.055 -2.805 -1.386) 3.743 9.622 ( -0.304 -3.588 3.129) 4.771 9.655 ( 2.723 -3.132 -1.359) 4.367 9.735 ( 0.932 -6.809 4.753) 8.356 9.779 ( -1.100 -7.759 2.313) 8.171 9.925 ( 3.544 1.771 1.910) 4.398 9.938 ( -4.555 1.174 1.518) 4.943 9.973 ( -3.421 -0.435 3.957) 5.249 10.062 ( 0.218 2.107 -1.425) 2.553 10.079 ( -0.909 0.319 -1.578) 1.849 10.147 ( 4.529 2.706 0.929) 5.357 10.187 ( 0.953 0.567 -4.804) 4.930 10.255 ( -0.786 0.420 -3.335) 3.452 10.274 ( 0.398 0.029 -3.392) 3.416 10.361 ( -6.891 4.001 -9.357) 12.290 10.722 ( 0.474 -0.550 2.682) 2.779 10.769 ( 2.420 2.147 -2.068) 3.840 10.860 ( 0.941 -0.502 6.674) 6.758 10.991 ( -3.393 -10.576 -3.569) 11.666 11.175 ( -6.559 -3.814 0.477) 7.603 11.218 ( 9.302 -7.316 -0.537) 11.847 11.551 ( -0.515 -0.725 7.124) 7.180 11.702 ( -0.567 -6.390 -6.704) 9.279 11.870 ( 0.152 4.894 2.334) 5.424 11.964 ( 1.289 2.599 -6.380) 7.009 12.613 ( 0.694 -0.939 1.327) 1.768 12.632 ( -0.380 -1.235 0.063) 1.294 12.921 ( 2.003 6.175 0.876) 6.550 12.958 ( -1.357 4.469 -2.762) 5.426 13.325 ( -5.248 0.726 0.660) 5.339 13.336 ( 7.444 0.727 -0.311) 7.486 13.356 ( -5.894 0.056 1.352) 6.047 13.376 ( 5.832 -0.093 -0.450) 5.850 13.912 ( -2.398 1.376 0.952) 2.924 13.928 ( 0.963 1.771 -0.584) 2.099 14.086 ( -5.352 -2.400 0.757) 5.914 14.099 ( 6.431 -2.224 -0.391) 6.816 14.546 ( 0.006 1.440 0.248) 1.461 14.549 ( -0.130 1.290 0.087) 1.300 14.621 ( 1.588 -0.407 -0.179) 1.649 14.622 ( -2.197 -0.575 -0.332) 2.295 15.226 ( 0.181 4.855 3.165) 5.798 15.308 ( -0.844 7.909 -5.421) 9.625 15.559 ( -2.126 -2.996 6.697) 7.638 15.683 ( 0.582 -2.922 -5.607) 6.349 15.885 ( -1.052 -0.006 1.930) 2.199 15.918 ( 1.440 0.809 -1.224) 2.055 16.099 ( -1.538 -2.823 2.075) 3.826 16.143 ( 1.949 -2.138 -2.401) 3.760 18.814 ( 0.903 0.458 1.271) 1.625 18.843 ( -0.809 0.337 -1.609) 1.832 18.918 ( 1.135 -0.303 0.551) 1.298 18.929 ( -1.165 -0.118 -0.526) 1.284 24.665 ( 2.337 1.627 0.469) 2.886 24.677 ( -2.469 1.688 -0.758) 3.085 24.820 ( 1.767 -2.139 0.397) 2.802 24.830 ( -2.788 -1.990 -0.604) 3.478 26.534 ( -1.412 1.249 2.553) 3.173 26.584 ( 1.525 1.158 -2.347) 3.029 26.668 ( -0.632 -1.765 3.526) 3.993 26.716 ( 0.338 -2.113 -1.256) 2.482 27.852 ( -0.220 4.558 0.345) 4.576 27.861 ( -0.520 4.695 -0.631) 4.766 28.045 ( -0.095 8.341 2.000) 8.578 28.086 ( 0.411 10.527 -2.673) 10.869 28.275 ( 1.290 -2.108 1.197) 2.746 28.300 ( -1.602 -1.247 -1.359) 2.443 28.859 ( 0.219 -0.439 -0.222) 0.538 28.861 ( -0.134 -0.899 -0.548) 1.061 28.969 ( 4.320 -0.191 1.375) 4.537 28.997 ( -4.003 -0.773 -1.450) 4.327 29.384 ( 0.700 -3.698 3.410) 5.078 29.461 ( -1.102 -8.141 -4.060) 9.164 29.967 ( -1.771 -1.906 1.253) 2.888 29.991 ( 3.302 -1.334 -1.066) 3.718 30.033 ( 7.540 -1.245 1.017) 7.710 30.052 ( -3.373 -1.228 -0.942) 3.711 30.166 ( -1.233 -0.474 3.690) 3.919 30.247 ( -1.798 -5.417 -4.188) 7.080 31.154 ( -0.643 0.017 8.184) 8.210 31.287 ( 0.266 1.286 -5.942) 6.086 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 5.241 3.821 19.635) 20.679 1.668 ( 3.056 1.637 -16.987) 17.337 2.070 ( 11.039 6.708 23.069) 26.439 2.255 ( 10.741 9.560 -29.769) 33.060 2.473 ( -2.056 -1.703 3.565) 4.454 2.629 ( 0.832 0.348 0.420) 0.995 2.769 ( -3.269 -1.613 3.486) 5.044 2.820 ( 4.219 7.988 -3.294) 9.615 2.973 ( -2.079 5.788 -7.511) 9.708 3.099 ( 1.233 -4.570 0.983) 4.834 3.158 ( 10.348 14.102 2.181) 17.626 3.227 ( -11.828 -5.940 -13.342) 18.793 3.292 ( 2.518 -6.924 2.842) 7.897 3.400 ( -6.654 -6.559 2.249) 9.610 3.457 ( 3.571 -4.832 -4.683) 7.617 3.594 ( -11.005 2.718 -3.348) 11.820 3.696 ( -1.141 2.364 -1.619) 3.084 3.758 ( -4.371 -2.047 2.779) 5.569 3.806 ( 1.526 -1.004 1.801) 2.565 3.950 ( -7.184 2.797 -0.763) 7.747 3.987 ( 11.713 -3.294 0.416) 12.174 4.086 ( -0.567 -3.077 12.471) 12.858 4.194 ( -1.592 -0.129 13.995) 14.086 4.247 ( -3.291 -0.600 4.350) 5.487 4.319 ( -5.384 4.848 4.321) 8.436 4.362 ( -1.816 7.317 -8.763) 11.559 4.401 ( 0.799 4.919 14.335) 15.177 4.499 ( 6.889 -4.595 6.206) 10.348 4.542 ( 2.922 -1.750 -6.077) 6.967 4.589 ( 4.872 1.487 -3.356) 6.100 4.624 ( 7.778 2.297 -10.713) 13.436 4.718 ( -0.258 5.820 -0.621) 5.859 4.779 ( 8.944 3.456 -1.590) 9.719 4.845 ( -0.994 1.243 2.101) 2.636 4.891 ( -5.067 5.051 0.363) 7.164 4.982 ( 4.723 2.065 -5.612) 7.620 5.006 ( -6.875 3.146 -0.664) 7.590 5.072 ( -0.970 -2.440 -0.888) 2.772 5.186 ( -1.489 -6.721 2.615) 7.364 5.257 ( -0.572 3.553 -3.339) 4.909 5.419 ( 6.588 3.596 -3.134) 8.134 5.488 ( 1.120 3.553 2.545) 4.512 5.567 ( -0.423 7.236 5.625) 9.175 5.616 ( 2.089 0.100 -1.873) 2.807 5.650 ( -2.254 -8.354 -3.916) 9.498 5.721 ( 0.843 -6.199 18.057) 19.110 5.773 ( 3.021 -6.604 -5.198) 8.931 5.847 ( 2.051 -2.395 0.354) 3.173 5.882 ( -1.764 -9.950 -11.038) 14.965 6.084 ( 4.389 2.008 -3.679) 6.069 6.161 ( 7.180 -7.353 3.753) 10.941 6.334 ( -2.247 -4.676 0.522) 5.214 6.437 ( -4.331 -9.307 -0.509) 10.278 6.475 ( -2.558 -9.494 -1.495) 9.945 6.484 ( -4.312 4.703 1.831) 6.638 6.539 ( -2.733 -8.205 -0.737) 8.679 6.632 ( 0.092 -0.505 -2.464) 2.517 6.676 ( 0.535 -1.480 -0.631) 1.696 6.766 ( 3.356 2.391 -0.426) 4.143 6.858 ( -0.238 -2.757 2.537) 3.754 6.896 ( -2.741 -0.147 -0.460) 2.783 6.975 ( -2.321 -0.177 -1.584) 2.815 7.004 ( -0.432 0.021 4.269) 4.290 7.060 ( 2.015 3.064 -1.987) 4.171 7.107 ( -0.532 2.024 0.798) 2.240 7.185 ( 2.628 -1.917 0.740) 3.336 7.243 ( 5.886 -0.162 1.808) 6.160 7.291 ( -2.060 -5.484 -4.096) 7.149 7.347 ( -3.472 1.454 -0.833) 3.855 7.396 ( 1.766 -1.786 3.784) 4.542 7.440 ( 2.042 -0.665 -2.563) 3.344 7.447 ( -5.551 -5.518 3.196) 8.455 7.491 ( 0.875 -1.747 -6.425) 6.716 7.584 ( -5.163 3.653 -1.202) 6.438 7.768 ( 2.613 4.463 -1.486) 5.381 7.777 ( -3.925 3.064 0.791) 5.042 7.823 ( 4.928 3.611 3.885) 7.240 7.889 ( -1.235 -2.694 0.436) 2.995 7.902 ( 3.622 1.477 2.726) 4.768 7.995 ( -2.344 7.003 1.134) 7.472 8.016 ( -4.695 3.819 -1.826) 6.321 8.044 ( 0.350 0.113 0.559) 0.669 8.148 ( 6.401 5.560 0.060) 8.479 8.169 ( -1.968 -0.203 2.312) 3.043 8.279 ( -0.075 2.211 -7.135) 7.470 8.306 ( 2.269 7.081 3.205) 8.097 8.359 ( 0.971 9.426 -1.886) 9.662 8.405 ( -0.386 2.075 -4.458) 4.932 8.468 ( -1.450 8.045 3.421) 8.862 8.527 ( 6.994 4.006 -2.331) 8.391 8.592 ( -0.403 2.757 0.545) 2.839 8.668 ( -5.997 1.488 4.657) 7.737 8.834 ( -0.672 -2.907 6.879) 7.498 8.923 ( -2.760 -2.125 -0.390) 3.506 8.933 ( -8.108 -5.336 -0.547) 9.721 9.030 ( -3.595 0.155 -2.522) 4.395 9.037 ( -4.282 0.473 -0.948) 4.411 9.119 ( 0.649 4.808 -5.891) 7.632 9.308 ( -9.004 -2.919 0.059) 9.466 9.395 ( -5.864 -2.509 3.818) 7.434 9.595 ( -2.781 -3.645 -3.556) 5.802 9.638 ( -1.678 -4.016 0.052) 4.353 9.694 ( -5.717 -7.856 -0.570) 9.732 9.749 ( -5.438 -6.022 2.679) 8.545 9.853 ( -4.308 -0.723 1.765) 4.711 9.987 ( -1.155 -0.710 0.952) 1.657 10.017 ( -4.145 3.033 0.835) 5.204 10.044 ( 4.732 1.197 3.065) 5.764 10.079 ( 1.381 0.901 2.164) 2.721 10.137 ( -0.319 2.661 -1.229) 2.949 10.206 ( 2.474 2.220 -4.005) 5.205 10.240 ( 1.133 -0.581 -1.758) 2.170 10.315 ( 4.155 1.429 1.746) 4.728 10.364 ( 5.604 4.233 5.930) 9.191 10.574 ( -17.853 -7.157 -1.452) 19.289 10.705 ( -0.801 -0.271 0.358) 0.919 10.788 ( -16.839 -2.570 4.362) 17.584 10.883 ( 0.030 0.496 3.041) 3.081 10.972 ( -2.236 -1.786 -1.467) 3.216 11.443 ( 13.551 -9.719 -5.969) 17.712 11.533 ( -4.061 -1.166 3.220) 5.313 11.581 ( -6.195 -3.185 -4.224) 8.147 11.799 ( -7.280 4.464 2.405) 8.872 11.875 ( -4.882 2.921 -5.218) 7.720 12.526 ( -6.593 -0.845 -1.295) 6.772 12.576 ( -4.596 -1.089 -0.499) 4.750 12.732 ( -12.692 2.832 -1.133) 13.054 12.874 ( -9.027 3.363 0.258) 9.636 13.492 ( 16.810 0.902 -0.290) 16.837 13.664 ( 23.646 -2.276 -3.848) 24.065 13.710 ( 24.710 -0.680 -3.998) 25.040 13.808 ( 19.787 0.670 2.764) 19.991 13.990 ( 15.467 -1.579 4.171) 16.097 14.075 ( 9.590 -0.835 -0.370) 9.633 14.127 ( 18.750 1.921 -0.658) 18.860 14.249 ( 8.349 0.899 -1.233) 8.487 14.573 ( 1.224 0.476 1.273) 1.829 14.601 ( 4.865 -0.751 0.758) 4.981 14.638 ( 7.742 1.020 -1.162) 7.894 14.693 ( 5.644 -0.232 -0.550) 5.675 15.228 ( -1.688 4.646 0.231) 4.949 15.278 ( 0.239 6.575 0.491) 6.598 15.561 ( -2.631 -3.082 8.140) 9.093 15.660 ( 0.332 -3.470 -5.100) 6.178 15.835 ( -4.080 1.076 1.019) 4.340 15.947 ( 1.381 -1.111 -0.842) 1.962 16.064 ( -2.692 -0.764 0.441) 2.833 16.150 ( 0.496 -2.230 -1.980) 3.023 18.736 ( -8.673 0.647 -1.870) 8.896 18.760 ( -7.157 0.489 1.566) 7.343 18.810 ( -9.788 -0.370 -0.755) 9.824 18.862 ( -6.819 -1.239 0.879) 6.986 24.640 ( -0.781 1.823 -0.311) 2.008 24.730 ( 3.713 1.970 0.305) 4.214 24.831 ( 2.819 -3.060 1.790) 4.529 24.936 ( 8.881 -3.122 -0.566) 9.431 26.515 ( -2.021 1.436 2.081) 3.237 26.592 ( 0.773 1.189 -2.200) 2.617 26.674 ( -0.935 -2.555 2.825) 3.922 26.711 ( 0.058 -1.527 -1.464) 2.116 27.855 ( 0.433 4.792 0.776) 4.874 27.878 ( 1.955 5.921 0.627) 6.267 28.041 ( -1.061 8.141 0.611) 8.232 28.075 ( -0.395 10.447 -1.182) 10.522 28.301 ( 2.200 -2.809 -1.436) 3.846 28.359 ( 6.595 -2.486 1.531) 7.213 28.819 ( -1.955 -1.216 0.601) 2.379 28.881 ( 1.082 -2.113 -1.277) 2.695 28.991 ( 4.181 2.564 -2.062) 5.320 29.115 ( 8.080 -3.305 1.308) 8.827 29.372 ( -3.361 -4.766 -1.137) 5.941 29.406 ( -2.267 -4.678 1.744) 5.483 29.806 ( -10.101 -3.867 -2.199) 11.037 29.910 ( -8.311 -2.686 -0.071) 8.734 30.068 ( 3.902 0.026 -0.316) 3.915 30.102 ( -0.830 0.183 1.296) 1.550 30.246 ( 2.666 -1.658 -1.889) 3.664 30.277 ( 6.911 -0.457 -0.206) 6.929 31.058 ( -13.354 1.327 5.240) 14.407 31.144 ( -10.158 -0.047 -3.857) 10.866 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 13.205 10.488 -8.255) 18.775 1.789 ( 9.639 5.652 10.759) 15.512 2.157 ( -8.485 -1.814 -5.964) 10.528 2.346 ( 12.452 -1.590 -16.707) 20.897 2.435 ( -3.813 -1.490 5.397) 6.774 2.661 ( -7.459 -1.350 0.712) 7.613 2.757 ( 4.344 0.978 13.287) 14.014 2.788 ( 3.510 -0.978 2.723) 4.549 2.932 ( -6.761 2.462 -9.081) 11.586 2.993 ( -1.399 -7.521 -2.492) 8.045 3.097 ( -6.994 -4.311 3.500) 8.930 3.189 ( 1.075 0.044 -1.464) 1.817 3.301 ( -10.757 0.507 1.086) 10.823 3.428 ( -5.212 1.791 -2.429) 6.022 3.499 ( 6.284 7.975 -0.245) 10.156 3.524 ( 3.887 1.702 -0.984) 4.356 3.561 ( 6.407 0.188 0.921) 6.476 3.709 ( -2.836 -7.139 3.296) 8.359 3.805 ( -9.888 -0.170 6.218) 11.682 3.854 ( -1.097 -5.529 4.136) 6.992 4.043 ( -10.697 -0.477 1.592) 10.825 4.108 ( -6.493 -4.054 4.972) 9.128 4.163 ( -1.116 5.345 1.087) 5.568 4.205 ( -4.008 -2.343 -1.408) 4.851 4.276 ( 3.098 8.188 4.386) 9.791 4.351 ( 11.035 -0.497 -13.237) 17.241 4.446 ( 4.940 0.899 -9.133) 10.422 4.589 ( -3.410 0.603 -5.822) 6.774 4.600 ( -2.663 1.686 -8.238) 8.820 4.641 ( 1.909 3.361 2.097) 4.398 4.754 ( 0.562 3.758 -6.837) 7.822 4.770 ( 2.535 5.199 4.573) 7.374 4.814 ( 3.757 2.845 7.121) 8.539 4.854 ( 3.526 5.525 -5.100) 8.305 4.901 ( 4.330 2.505 7.115) 8.698 5.047 ( 9.037 -2.462 6.767) 11.555 5.093 ( 6.359 0.471 5.996) 8.753 5.162 ( 6.107 -3.880 -2.461) 7.642 5.209 ( 9.512 1.034 2.961) 10.016 5.305 ( 7.681 -0.079 3.498) 8.440 5.488 ( 1.542 2.118 -5.392) 5.995 5.511 ( -0.010 2.102 -3.693) 4.250 5.550 ( 4.316 0.827 0.429) 4.416 5.647 ( -1.732 5.052 -3.533) 6.403 5.679 ( 4.960 -5.288 2.788) 7.767 5.717 ( -3.309 -5.902 6.803) 9.595 5.871 ( 4.994 4.005 -1.351) 6.543 5.905 ( 2.359 -4.240 -2.179) 5.319 5.955 ( 6.908 -8.087 3.507) 11.199 6.071 ( -9.508 7.718 -1.300) 12.315 6.200 ( -6.327 -0.654 0.691) 6.398 6.260 ( 2.215 1.575 3.675) 4.571 6.315 ( -5.669 -4.416 3.164) 7.852 6.342 ( -0.808 -2.218 -1.956) 3.066 6.464 ( -3.639 -2.746 -2.498) 5.198 6.539 ( 1.395 0.575 -0.153) 1.517 6.625 ( -0.701 -0.795 -2.911) 3.098 6.705 ( 1.112 -3.369 -3.229) 4.797 6.786 ( -2.445 4.008 -1.107) 4.824 6.813 ( -0.014 -2.037 6.169) 6.497 6.876 ( -3.963 0.709 4.111) 5.754 6.917 ( -1.346 0.205 -0.274) 1.389 6.996 ( -4.521 0.045 -4.364) 6.284 7.050 ( 2.565 0.496 -3.303) 4.211 7.155 ( 1.564 -6.626 3.034) 7.453 7.178 ( 2.582 -5.663 1.588) 6.423 7.251 ( -4.336 -3.294 -0.720) 5.492 7.313 ( -2.848 -5.193 -1.436) 6.094 7.366 ( 3.167 -0.884 0.403) 3.313 7.403 ( 3.904 1.170 0.658) 4.128 7.437 ( 0.088 0.168 -5.772) 5.775 7.457 ( 5.626 -1.944 0.523) 5.976 7.530 ( 2.507 0.820 -0.888) 2.783 7.571 ( 2.459 -0.294 1.921) 3.135 7.662 ( -4.135 -0.275 3.180) 5.223 7.784 ( -3.736 1.335 2.312) 4.592 7.803 ( -3.985 -3.979 -0.286) 5.639 7.896 ( -0.577 4.036 -4.816) 6.310 7.946 ( 2.543 -0.341 0.119) 2.568 7.988 ( 1.171 -3.341 -1.061) 3.696 8.012 ( -2.387 1.355 4.342) 5.136 8.055 ( -0.359 2.674 -2.074) 3.403 8.127 ( -3.964 5.253 -0.952) 6.649 8.165 ( -0.518 1.680 0.742) 1.908 8.231 ( -1.994 3.193 -4.468) 5.842 8.262 ( -2.345 2.719 -5.401) 6.486 8.340 ( -4.205 9.352 4.554) 11.220 8.366 ( -4.306 6.584 2.467) 8.245 8.465 ( 1.963 6.769 -0.614) 7.074 8.531 ( -8.083 -1.250 1.343) 8.289 8.629 ( 3.223 -1.258 0.610) 3.513 8.688 ( 6.762 1.759 3.082) 7.636 8.772 ( -7.000 -2.308 -4.884) 8.842 8.819 ( -2.043 -3.212 -0.571) 3.850 8.896 ( -3.112 -0.450 2.366) 3.935 8.941 ( -1.116 1.506 -5.419) 5.734 8.969 ( 1.141 -0.184 2.390) 2.655 9.102 ( -3.396 1.451 -1.679) 4.057 9.123 ( -6.839 2.864 0.259) 7.419 9.287 ( -7.417 -2.720 5.479) 9.614 9.487 ( -4.833 -3.961 -5.137) 8.089 9.533 ( -8.664 -3.063 -3.853) 9.965 9.596 ( -4.878 -4.119 -0.353) 6.394 9.639 ( -5.087 -1.018 0.032) 5.188 9.731 ( -8.149 -2.904 -0.962) 8.704 9.811 ( -7.602 0.451 -3.553) 8.404 9.980 ( -4.253 4.227 4.756) 7.654 10.115 ( 1.362 0.394 4.403) 4.626 10.170 ( -0.671 1.785 7.794) 8.024 10.224 ( 2.814 -0.500 3.859) 4.802 10.233 ( 6.467 -3.079 1.951) 7.424 10.316 ( 0.415 -2.769 -2.823) 3.976 10.337 ( 6.345 0.216 -0.332) 6.357 10.429 ( 3.581 1.302 -0.309) 3.823 10.512 ( 3.262 3.406 2.953) 5.564 10.619 ( 1.003 4.586 6.248) 7.815 10.787 ( 7.015 -0.120 -0.097) 7.017 10.958 ( 3.376 -1.857 7.974) 8.856 11.001 ( 2.553 -0.810 -0.464) 2.718 11.366 ( -8.719 -2.487 -3.751) 9.812 11.468 ( -5.413 -1.401 2.302) 6.046 11.551 ( -1.821 -6.417 -7.333) 9.913 11.669 ( -7.221 2.034 -0.703) 7.535 11.794 ( 4.255 -2.604 -11.578) 12.607 12.373 ( -7.612 -2.173 -3.386) 8.610 12.467 ( -6.559 -3.608 -3.155) 8.123 12.499 ( -9.114 3.409 1.419) 9.834 12.665 ( -10.737 2.119 -1.527) 11.050 13.826 ( 14.893 0.829 -0.425) 14.923 13.962 ( 8.107 2.468 0.274) 8.479 13.992 ( 10.366 -3.338 -1.810) 11.040 14.147 ( 9.850 0.125 -0.681) 9.874 14.168 ( 19.470 1.505 -0.234) 19.529 14.281 ( 3.197 0.785 -4.087) 5.248 14.458 ( 12.350 0.643 -1.535) 12.462 14.546 ( 6.337 0.087 3.822) 7.401 14.725 ( 10.160 0.863 3.258) 10.704 14.739 ( 6.944 -2.195 1.221) 7.384 14.881 ( 17.084 0.576 -3.546) 17.458 14.915 ( 22.183 1.729 7.577) 23.505 15.185 ( -1.625 3.019 -1.707) 3.830 15.330 ( 4.391 3.275 3.927) 6.740 15.559 ( -3.659 -4.051 7.338) 9.146 15.612 ( -1.514 -4.047 -5.801) 7.233 15.785 ( -1.636 2.378 3.929) 4.875 15.943 ( -2.006 -2.206 0.205) 2.989 16.021 ( -0.705 1.672 -2.651) 3.212 16.138 ( -0.283 -1.944 -2.428) 3.123 18.522 ( -11.218 0.527 -1.480) 11.327 18.582 ( -11.904 0.747 1.070) 11.975 18.609 ( -8.885 -1.447 0.038) 9.002 18.716 ( -7.898 -2.532 0.392) 8.304 24.647 ( 1.114 2.452 1.222) 2.957 24.790 ( 2.418 2.711 -1.067) 3.786 24.946 ( 5.022 -5.597 7.213) 10.420 25.109 ( 9.754 -5.395 -2.844) 11.504 26.493 ( -1.521 1.416 2.032) 2.907 26.581 ( -0.200 1.253 -2.313) 2.639 26.672 ( -0.846 -3.313 1.679) 3.810 26.699 ( -0.387 -1.355 -1.043) 1.753 27.878 ( 0.869 5.983 1.915) 6.342 27.936 ( 3.531 9.070 0.873) 9.772 28.018 ( -1.487 8.702 -0.245) 8.832 28.057 ( -1.016 8.050 0.036) 8.114 28.341 ( 2.551 -3.687 -1.167) 4.633 28.543 ( 11.361 -3.043 1.337) 11.837 28.811 ( -0.352 -2.088 2.924) 3.610 28.906 ( 2.750 -3.577 -1.987) 4.930 29.042 ( 0.088 -0.960 -5.501) 5.585 29.134 ( -5.202 -4.450 -1.586) 7.027 29.357 ( -2.879 -1.405 3.027) 4.407 29.434 ( 8.736 -1.412 -0.150) 8.850 29.622 ( -3.692 -2.687 -5.601) 7.226 29.754 ( -7.360 -3.299 2.106) 8.336 30.107 ( -1.804 1.904 0.491) 2.669 30.124 ( 1.086 0.579 0.915) 1.534 30.243 ( -0.432 3.778 -0.662) 3.860 30.358 ( 0.751 2.700 -1.366) 3.118 30.810 ( -12.039 -1.684 1.646) 12.267 30.901 ( -11.332 -3.376 -2.319) 12.050 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -1.148 1.097 2.817) 3.233 1.975 ( 8.234 7.496 -0.040) 11.135 2.119 ( 12.884 0.455 -0.480) 12.900 2.354 ( -0.047 -0.393 3.153) 3.178 2.439 ( -5.362 -6.176 4.180) 9.185 2.592 ( 0.855 2.413 -8.448) 8.828 2.667 ( -0.896 -4.168 4.963) 6.543 2.849 ( 3.534 -2.500 -4.051) 5.929 2.935 ( -6.074 0.127 -2.892) 6.729 2.986 ( 2.526 0.908 1.497) 3.074 3.047 ( -3.276 -0.263 -0.506) 3.325 3.086 ( -13.281 2.886 6.443) 15.041 3.285 ( 0.269 1.297 4.014) 4.227 3.305 ( 0.130 -4.499 7.229) 8.515 3.486 ( -0.817 -8.729 -1.122) 8.839 3.529 ( -5.656 -0.242 11.597) 12.905 3.630 ( 4.760 2.706 -6.817) 8.744 3.729 ( 3.681 2.437 -1.808) 4.770 3.772 ( 0.399 -1.871 -0.906) 2.117 3.812 ( -6.521 -3.369 0.906) 7.396 3.953 ( 3.788 -4.529 6.342) 8.664 4.071 ( -0.577 0.056 -0.507) 0.770 4.100 ( -1.697 -2.483 -6.455) 7.121 4.171 ( -1.393 0.307 -3.217) 3.520 4.260 ( -2.932 3.135 -6.307) 7.629 4.343 ( -3.429 3.793 0.641) 5.153 4.460 ( -3.271 3.367 0.161) 4.697 4.549 ( -1.116 -2.008 2.252) 3.217 4.597 ( 12.901 7.695 -10.841) 18.525 4.668 ( -0.922 5.158 0.491) 5.263 4.699 ( -1.180 -2.531 -12.537) 12.845 4.769 ( 1.924 -3.360 -8.928) 9.732 4.860 ( -1.233 2.897 -3.203) 4.491 4.927 ( 2.732 2.691 1.769) 4.224 5.025 ( 4.668 4.220 7.701) 9.945 5.175 ( -0.880 3.770 7.031) 8.026 5.226 ( 4.816 -1.170 1.566) 5.197 5.300 ( -1.213 3.124 6.448) 7.266 5.340 ( 1.008 2.732 1.766) 3.406 5.423 ( 2.754 -1.296 -6.630) 7.295 5.506 ( 2.961 4.146 -0.549) 5.124 5.550 ( 6.282 -2.770 -8.052) 10.582 5.600 ( -0.252 5.551 0.564) 5.586 5.633 ( -8.686 -3.589 2.444) 9.711 5.737 ( 9.845 -0.733 2.491) 10.182 5.816 ( -1.920 -4.826 8.569) 10.021 5.884 ( 10.288 4.478 6.608) 13.021 5.892 ( -3.409 -0.840 -0.382) 3.532 5.941 ( -1.238 3.347 2.383) 4.291 6.065 ( 3.338 -3.323 0.121) 4.711 6.147 ( -0.951 1.618 -2.899) 3.453 6.240 ( -5.400 5.925 0.993) 8.077 6.298 ( 1.601 0.988 0.405) 1.924 6.380 ( -0.679 2.024 -0.042) 2.135 6.503 ( 6.430 4.962 1.491) 8.258 6.530 ( 2.510 -0.813 -2.866) 3.895 6.569 ( -2.731 2.361 5.081) 6.232 6.654 ( -0.842 0.511 -5.155) 5.248 6.741 ( -3.047 -0.609 -1.467) 3.436 6.797 ( -0.807 -4.447 -2.746) 5.288 6.853 ( -1.142 -1.561 7.706) 7.945 6.959 ( 1.584 -1.567 1.637) 2.765 6.996 ( 3.576 -2.383 3.478) 5.528 7.029 ( -7.125 -3.172 -1.799) 8.004 7.089 ( 3.806 -3.249 -2.687) 5.680 7.156 ( -6.617 -3.976 -2.478) 8.108 7.215 ( -4.150 0.787 -2.359) 4.838 7.323 ( 0.196 2.188 -2.733) 3.507 7.345 ( 0.316 -1.727 -3.239) 3.684 7.419 ( 3.432 -3.521 0.719) 4.969 7.475 ( -0.202 -0.079 -0.607) 0.645 7.493 ( -2.523 1.572 -2.888) 4.145 7.579 ( 4.825 -3.521 3.253) 6.801 7.632 ( -0.487 -7.348 2.771) 7.868 7.682 ( 3.692 -2.094 2.429) 4.890 7.749 ( 0.181 2.592 -2.776) 3.802 7.776 ( 0.678 0.725 6.488) 6.563 7.834 ( -4.124 -0.028 -1.684) 4.455 7.897 ( -3.523 -1.791 -2.722) 4.799 7.924 ( -4.602 -1.977 -0.369) 5.022 7.973 ( -0.287 0.457 -2.168) 2.234 8.002 ( -1.726 -0.508 -1.883) 2.604 8.067 ( -2.256 2.084 1.017) 3.235 8.162 ( -3.033 -3.180 -4.452) 6.256 8.194 ( -1.012 2.974 1.805) 3.623 8.258 ( 3.916 0.809 2.304) 4.615 8.278 ( 1.981 1.885 -2.271) 3.555 8.398 ( 3.992 1.798 -5.423) 6.970 8.407 ( -2.874 9.038 9.214) 13.223 8.550 ( 4.340 3.776 -3.588) 6.780 8.588 ( -6.784 1.799 -3.317) 7.763 8.675 ( -4.428 -7.167 2.137) 8.691 8.772 ( 2.606 -0.173 0.384) 2.640 8.801 ( -1.473 -0.665 0.051) 1.617 8.866 ( -0.238 -0.614 2.675) 2.754 8.918 ( 4.134 0.710 -7.971) 9.007 8.979 ( -4.667 -0.961 1.876) 5.121 8.988 ( -2.582 4.114 1.245) 5.014 9.121 ( 1.346 1.104 6.567) 6.794 9.226 ( -2.081 -1.639 3.778) 4.614 9.353 ( -5.164 -0.618 -2.872) 5.941 9.375 ( -5.987 -0.913 -1.479) 6.234 9.474 ( -4.095 -2.852 -1.609) 5.243 9.540 ( -2.694 -2.512 -5.450) 6.578 9.650 ( -0.644 1.547 0.263) 1.696 9.698 ( -2.501 2.273 -2.461) 4.180 9.961 ( -1.892 1.986 7.566) 8.048 10.112 ( -2.559 0.073 -0.302) 2.577 10.234 ( 1.868 0.579 5.706) 6.032 10.264 ( 2.461 0.080 2.054) 3.207 10.338 ( 1.936 -0.221 0.475) 2.006 10.371 ( 2.768 0.021 -4.810) 5.550 10.467 ( 4.505 1.949 3.120) 5.816 10.529 ( 4.817 1.751 4.187) 6.618 10.585 ( 2.317 0.884 2.134) 3.272 10.710 ( 2.313 2.952 0.882) 3.852 10.927 ( 4.962 0.301 3.423) 6.035 11.016 ( 0.235 -1.060 2.290) 2.534 11.085 ( -0.494 -3.540 11.182) 11.740 11.223 ( -1.814 -1.711 -2.288) 3.384 11.388 ( -4.434 -1.265 0.909) 4.699 11.457 ( -0.508 -3.925 -2.656) 4.767 11.512 ( -7.300 0.277 -0.631) 7.332 11.779 ( 3.841 -5.234 -21.166) 22.139 12.234 ( -2.366 0.188 -3.230) 4.008 12.300 ( -6.668 -2.163 -3.388) 7.785 12.420 ( -1.946 -1.289 1.953) 3.043 12.506 ( -3.751 0.420 -2.864) 4.738 14.003 ( 5.006 1.939 -1.016) 5.464 14.029 ( 0.059 3.958 1.001) 4.083 14.163 ( 6.670 -3.162 -0.445) 7.395 14.247 ( -1.586 -0.414 -1.169) 2.013 14.340 ( 8.298 1.224 0.698) 8.417 14.440 ( 5.484 -0.326 -2.979) 6.249 14.584 ( 2.055 0.448 3.567) 4.141 14.647 ( 3.569 1.565 -0.982) 4.019 14.812 ( 1.066 2.405 1.695) 3.129 14.870 ( 5.189 2.804 -2.802) 6.529 15.094 ( 3.571 -0.495 1.145) 3.783 15.146 ( 2.512 1.090 -2.218) 3.523 15.337 ( 6.599 0.486 10.617) 12.510 15.443 ( -1.773 -0.256 6.418) 6.664 15.563 ( 1.684 -5.856 -5.831) 8.434 15.584 ( 8.803 -2.957 0.281) 9.291 15.820 ( 0.215 2.464 4.760) 5.365 15.891 ( -3.164 -0.277 3.165) 4.483 15.985 ( -0.528 1.983 -4.974) 5.381 16.102 ( -1.101 -1.113 -4.770) 5.021 18.354 ( -4.307 0.389 -0.187) 4.329 18.389 ( -6.958 0.874 -0.118) 7.014 18.508 ( -1.785 -2.604 1.871) 3.670 18.594 ( -4.108 -3.969 -1.180) 5.833 24.692 ( 1.929 3.056 2.753) 4.544 24.799 ( -0.179 3.432 -2.597) 4.307 25.075 ( 1.527 -7.114 9.673) 12.104 25.248 ( 7.200 -8.421 -5.665) 12.444 26.489 ( -0.510 1.397 2.395) 2.819 26.558 ( -0.369 1.114 -2.551) 2.808 26.666 ( -0.961 -3.546 1.542) 3.985 26.684 ( -0.223 -1.852 -1.000) 2.116 27.910 ( 0.623 7.593 3.015) 8.193 27.984 ( -1.681 7.880 -0.401) 8.067 28.017 ( 3.835 12.129 -0.612) 12.735 28.039 ( -0.227 8.136 -0.199) 8.142 28.390 ( 2.459 -3.847 3.821) 5.953 28.736 ( -2.060 -2.953 -6.298) 7.255 28.816 ( 6.661 -4.155 2.272) 8.172 28.898 ( -1.766 0.344 -1.274) 2.205 28.965 ( 0.416 -6.290 -0.756) 6.349 29.043 ( -5.346 -5.969 -0.736) 8.047 29.332 ( 0.119 0.607 -0.201) 0.650 29.442 ( -4.374 -6.698 -2.533) 8.391 29.707 ( 7.828 2.226 -2.504) 8.515 29.746 ( 4.276 2.950 3.041) 6.020 29.979 ( -6.832 4.536 1.489) 8.335 30.090 ( -6.080 0.682 -0.972) 6.195 30.267 ( 0.925 2.853 0.044) 3.000 30.296 ( -2.630 4.807 0.289) 5.487 30.699 ( -1.117 -5.799 -0.431) 5.921 30.734 ( -4.083 -4.982 -1.662) 6.652 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -3.906 7.024 2.258) 8.348 1.963 ( -2.404 1.696 -0.800) 3.049 2.236 ( -8.380 -3.921 -8.032) 12.252 2.364 ( -9.750 3.482 5.885) 11.909 2.493 ( -1.641 0.573 -6.724) 6.945 2.521 ( 11.409 -4.802 -4.358) 13.123 2.612 ( -4.801 -4.238 8.518) 10.656 2.821 ( -1.170 2.803 0.963) 3.187 2.904 ( 0.948 0.435 6.212) 6.300 2.940 ( 6.914 0.546 2.103) 7.248 3.008 ( 2.126 4.874 6.816) 8.645 3.196 ( 11.146 -3.902 -6.112) 13.297 3.347 ( 0.171 -5.191 0.271) 5.200 3.409 ( 3.151 -8.056 0.120) 8.651 3.422 ( -0.931 -5.411 4.539) 7.123 3.597 ( -0.459 1.951 -4.176) 4.632 3.689 ( 4.438 -6.755 0.448) 8.095 3.709 ( 2.394 2.381 -0.050) 3.377 3.766 ( 4.990 3.313 2.556) 6.512 3.886 ( 8.119 -0.549 -9.447) 12.469 3.980 ( -0.676 -1.469 -7.025) 7.209 4.025 ( 1.513 -3.817 -6.751) 7.902 4.057 ( -9.713 1.554 1.891) 10.017 4.108 ( 3.909 -2.101 3.994) 5.970 4.257 ( -12.991 10.412 5.898) 17.662 4.312 ( 3.682 3.208 6.645) 8.246 4.390 ( -1.094 8.994 -5.184) 10.439 4.495 ( -3.075 -5.504 8.941) 10.940 4.549 ( -2.719 -0.785 -10.488) 10.863 4.628 ( 1.518 1.540 1.845) 2.843 4.677 ( -1.055 4.464 0.417) 4.606 4.726 ( -2.702 -1.444 -8.070) 8.632 4.832 ( -3.155 3.932 1.744) 5.335 4.917 ( -1.213 3.067 -2.245) 3.990 5.121 ( -5.151 5.401 13.656) 15.562 5.175 ( -0.780 0.963 9.169) 9.253 5.233 ( -5.180 -1.876 3.317) 6.430 5.258 ( -1.743 -0.266 -5.942) 6.198 5.371 ( 3.099 3.632 -6.300) 7.905 5.449 ( -4.392 2.701 3.996) 6.523 5.476 ( 2.365 -1.366 -8.414) 8.846 5.516 ( -4.263 4.265 -2.686) 6.601 5.616 ( 1.889 -4.046 2.814) 5.277 5.680 ( 7.779 -2.550 -5.462) 9.841 5.766 ( -6.359 -3.290 -0.060) 7.159 5.832 ( -5.143 -3.253 2.730) 6.670 5.914 ( 1.042 2.176 2.271) 3.313 5.953 ( -5.157 -1.231 -0.375) 5.315 5.968 ( -1.904 -3.164 -3.063) 4.798 6.059 ( 2.913 1.858 0.768) 3.539 6.109 ( 1.972 5.963 10.636) 12.352 6.190 ( -1.325 2.171 2.390) 3.490 6.289 ( -1.850 2.038 -0.915) 2.900 6.424 ( 1.608 -0.099 -2.041) 2.600 6.475 ( -4.312 0.800 -4.830) 6.524 6.538 ( -1.643 2.486 1.849) 3.507 6.632 ( 1.904 -0.250 1.241) 2.287 6.665 ( 0.300 4.346 0.369) 4.372 6.710 ( 2.974 2.635 -2.015) 4.455 6.780 ( 2.793 1.019 -3.136) 4.321 6.915 ( 2.449 -1.744 2.221) 3.738 6.959 ( -2.058 -4.261 2.165) 5.203 6.990 ( 5.009 1.879 0.552) 5.378 7.050 ( -1.511 -2.712 -0.046) 3.105 7.089 ( -4.367 1.575 -3.476) 5.799 7.143 ( 8.459 -3.015 1.201) 9.060 7.205 ( 2.984 0.905 3.334) 4.565 7.219 ( 0.068 2.584 -5.862) 6.406 7.346 ( -6.257 -0.901 1.207) 6.436 7.435 ( 0.189 -5.173 -1.457) 5.378 7.484 ( 3.155 -0.737 -1.396) 3.527 7.505 ( 6.353 -0.781 -3.159) 7.138 7.589 ( 0.796 1.163 2.085) 2.517 7.667 ( -6.768 -4.811 -2.037) 8.550 7.682 ( 1.989 1.442 0.199) 2.464 7.753 ( -3.799 -5.801 -1.723) 7.145 7.791 ( 3.865 0.176 4.916) 6.256 7.847 ( -1.651 -2.121 0.919) 2.841 7.909 ( -0.874 -1.124 -1.950) 2.415 7.911 ( 0.775 -1.840 -1.594) 2.554 7.935 ( 5.196 -3.032 2.403) 6.478 7.994 ( 5.323 0.086 -3.812) 6.548 8.057 ( -0.172 -2.739 1.315) 3.043 8.141 ( 4.014 -4.018 -2.532) 6.218 8.163 ( -3.753 3.626 3.729) 6.414 8.283 ( -0.355 1.859 -0.608) 1.988 8.342 ( 4.265 3.470 -3.417) 6.473 8.371 ( -1.344 2.017 -4.167) 4.821 8.481 ( -2.219 4.365 2.082) 5.321 8.518 ( 3.434 5.702 2.093) 6.978 8.566 ( 0.064 2.849 -4.813) 5.593 8.653 ( 7.672 -0.134 0.957) 7.732 8.754 ( -3.043 -2.843 4.040) 5.803 8.786 ( -8.163 -2.309 3.177) 9.058 8.859 ( -0.949 1.488 -0.710) 1.902 8.919 ( 2.458 1.936 -1.011) 3.288 8.959 ( 3.587 -2.935 -1.146) 4.774 9.043 ( 4.813 0.262 -3.066) 5.713 9.192 ( -1.252 1.700 5.612) 5.996 9.229 ( -0.441 -0.525 2.387) 2.484 9.269 ( 1.182 -2.663 0.909) 3.051 9.352 ( 3.948 0.253 0.409) 3.977 9.455 ( 1.819 -2.908 2.657) 4.338 9.507 ( 3.105 -2.100 -4.801) 6.091 9.665 ( 1.203 2.451 -0.389) 2.758 9.674 ( 2.161 2.681 -1.056) 3.602 9.998 ( -0.719 1.150 9.032) 9.134 10.070 ( -0.475 -0.825 -1.522) 1.795 10.264 ( -2.431 0.585 3.861) 4.600 10.285 ( -4.513 -0.411 1.320) 4.720 10.314 ( -1.211 0.346 -1.429) 1.905 10.366 ( -0.091 2.257 -2.459) 3.339 10.517 ( -3.703 1.176 -2.776) 4.775 10.531 ( -1.053 1.034 1.151) 1.871 10.641 ( -1.484 4.203 5.160) 6.818 10.718 ( 0.526 0.317 -3.346) 3.402 10.952 ( -7.417 1.106 1.296) 7.610 10.986 ( -2.797 0.726 6.071) 6.724 11.135 ( -0.197 -3.020 5.110) 5.939 11.239 ( 2.761 -6.926 -0.346) 7.464 11.377 ( 2.000 0.621 4.248) 4.736 11.447 ( 0.893 -2.895 2.906) 4.198 11.519 ( 6.414 -1.482 -2.843) 7.170 11.668 ( 1.061 -4.757 -19.346) 19.950 12.219 ( 1.325 -1.257 -2.138) 2.812 12.279 ( 7.391 -0.692 -0.976) 7.487 12.444 ( 2.906 -0.933 1.521) 3.410 12.480 ( 3.400 0.185 -2.463) 4.202 13.982 ( -4.727 1.997 0.896) 5.209 14.053 ( 0.212 4.222 -1.176) 4.388 14.159 ( -7.203 -2.611 -0.124) 7.662 14.223 ( -0.625 -0.238 1.116) 1.301 14.374 ( -8.165 0.788 -1.437) 8.328 14.405 ( -4.759 1.018 -0.632) 4.907 14.587 ( -4.997 0.646 2.194) 5.495 14.660 ( -0.282 -0.513 -1.212) 1.346 14.804 ( -3.309 3.722 3.125) 5.880 14.884 ( -1.655 1.977 -4.539) 5.220 15.065 ( -7.416 2.011 2.344) 8.034 15.161 ( -0.020 -0.561 -2.538) 2.599 15.368 ( -4.474 -2.254 7.565) 9.073 15.413 ( -7.971 -1.146 9.401) 12.379 15.553 ( 1.515 -5.324 -7.006) 8.929 15.705 ( 1.574 -2.400 -12.133) 12.468 15.842 ( 2.158 1.611 6.368) 6.914 15.921 ( 2.952 0.221 1.959) 3.550 15.979 ( 1.883 1.942 2.085) 3.415 16.034 ( -1.484 -0.079 -6.708) 6.870 18.344 ( 3.570 0.625 0.578) 3.670 18.399 ( 7.785 0.689 -0.774) 7.853 18.546 ( 2.444 -4.382 -0.239) 5.023 18.572 ( 4.727 -3.011 -0.561) 5.633 24.743 ( 0.934 3.127 3.035) 4.457 24.753 ( -2.250 3.595 -3.265) 5.353 25.112 ( -3.773 -6.327 7.589) 10.576 25.283 ( 1.502 -11.706 -10.220) 15.612 26.503 ( -0.002 1.171 2.618) 2.868 26.541 ( 0.578 1.162 -2.503) 2.819 26.652 ( -1.420 -3.031 1.807) 3.804 26.686 ( 0.778 -2.645 -0.345) 2.778 27.935 ( -0.848 9.384 3.052) 9.904 27.951 ( -1.226 6.264 0.188) 6.385 28.011 ( -1.040 6.019 -0.391) 6.121 28.088 ( 4.108 14.806 -5.818) 16.430 28.516 ( -0.223 -1.786 5.473) 5.761 28.537 ( -1.876 -2.663 0.070) 3.258 28.801 ( -10.020 -3.038 2.154) 10.690 28.927 ( -1.666 -2.486 -0.425) 3.023 28.952 ( 0.313 -3.924 -1.176) 4.109 29.056 ( 6.872 -3.111 -1.695) 7.731 29.333 ( -1.854 -3.788 1.012) 4.337 29.402 ( 3.341 -4.469 -0.698) 5.624 29.641 ( -10.091 3.595 3.509) 11.272 29.769 ( -5.596 -1.247 1.246) 5.867 30.026 ( 7.774 6.721 -3.177) 10.757 30.073 ( 7.102 1.234 1.017) 7.279 30.234 ( -2.441 4.351 1.819) 5.310 30.328 ( 2.791 2.285 -1.458) 3.891 30.676 ( 0.914 -5.871 0.747) 5.988 30.753 ( 5.286 -5.104 -2.392) 7.727 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -25.761 14.360 4.635) 29.855 1.894 ( -20.361 7.910 16.362) 27.292 2.048 ( -3.955 -4.035 -12.837) 14.026 2.210 ( 9.347 -2.980 -3.116) 10.294 2.480 ( 2.737 0.591 2.616) 3.832 2.668 ( 11.531 -2.426 -1.014) 11.827 2.776 ( 3.251 -0.524 2.311) 4.023 2.830 ( 0.422 -1.670 -2.277) 2.855 2.985 ( 0.674 -4.674 0.370) 4.736 3.022 ( -6.352 -3.224 1.736) 7.332 3.144 ( -4.300 -0.480 -2.306) 4.903 3.206 ( -5.514 -0.475 -0.934) 5.613 3.261 ( 8.901 1.398 2.502) 9.351 3.355 ( -6.000 2.181 2.792) 6.968 3.481 ( -1.491 -1.666 2.353) 3.246 3.561 ( -7.150 3.918 -0.791) 8.192 3.598 ( 2.123 4.291 -8.387) 9.657 3.785 ( -7.721 9.632 5.448) 13.493 3.859 ( 1.038 -2.170 -1.009) 2.609 3.913 ( 9.222 -8.075 2.991) 12.617 4.009 ( 10.990 -2.626 -9.888) 15.015 4.074 ( 5.248 -7.049 3.905) 9.617 4.117 ( 3.644 1.005 2.183) 4.366 4.142 ( 8.083 1.732 -1.906) 8.483 4.279 ( 8.260 0.730 -5.789) 10.114 4.353 ( 0.179 6.944 -6.714) 9.661 4.416 ( 2.555 1.283 -3.141) 4.247 4.457 ( 1.990 1.249 7.274) 7.644 4.618 ( 2.187 0.313 5.705) 6.118 4.628 ( 0.412 -0.225 -5.348) 5.369 4.676 ( 1.910 0.352 1.623) 2.531 4.704 ( 1.222 0.136 5.954) 6.079 4.744 ( -0.928 4.195 3.325) 5.433 4.897 ( -3.320 6.788 4.212) 8.651 5.049 ( -8.580 -1.441 -7.144) 11.257 5.052 ( -9.127 -1.696 5.242) 10.661 5.126 ( -9.332 -2.278 4.282) 10.517 5.220 ( -7.904 -2.206 4.290) 9.260 5.243 ( -3.969 1.568 -7.206) 8.375 5.350 ( -3.167 -0.984 -6.379) 7.190 5.425 ( -4.949 6.157 4.411) 9.048 5.483 ( -6.662 -3.263 -4.368) 8.609 5.546 ( -6.071 0.808 5.580) 8.285 5.582 ( -7.705 5.244 -0.333) 9.326 5.745 ( -2.662 -7.890 -0.117) 8.328 5.767 ( 1.723 -5.602 0.581) 5.890 5.858 ( -5.352 -0.058 -0.387) 5.366 5.957 ( -3.573 -4.336 -7.171) 9.110 5.984 ( 6.768 4.681 3.539) 8.958 6.050 ( 0.893 -3.241 2.068) 3.947 6.228 ( 3.774 -4.818 3.550) 7.075 6.235 ( 1.694 1.411 7.692) 8.002 6.290 ( 4.698 2.844 -2.426) 6.004 6.409 ( -0.063 0.623 -4.900) 4.940 6.464 ( 0.636 -2.813 -6.072) 6.722 6.542 ( 4.629 5.228 -2.638) 7.464 6.603 ( -0.620 -1.148 2.265) 2.615 6.696 ( 2.346 0.197 -4.829) 5.372 6.754 ( 3.762 2.189 2.572) 5.056 6.885 ( -5.451 -2.582 -1.734) 6.276 6.898 ( 5.565 8.088 0.397) 9.826 6.953 ( -1.335 -4.120 5.517) 7.014 6.993 ( 0.702 1.643 -6.504) 6.745 7.016 ( 2.215 1.007 -1.546) 2.883 7.146 ( 4.738 -0.192 2.637) 5.426 7.188 ( -1.382 -0.038 2.993) 3.297 7.217 ( -2.845 0.339 -0.620) 2.932 7.259 ( -0.223 0.167 1.052) 1.088 7.340 ( 5.257 -2.761 1.645) 6.162 7.389 ( -4.659 -2.790 -0.633) 5.467 7.492 ( -4.118 -6.209 -5.030) 8.990 7.501 ( -5.376 -4.063 -4.661) 8.193 7.564 ( -2.505 1.337 -5.007) 5.756 7.598 ( -2.214 0.016 -0.283) 2.232 7.691 ( 3.710 -1.644 1.508) 4.329 7.760 ( 4.761 3.328 5.848) 8.243 7.828 ( -1.816 -2.598 0.174) 3.174 7.857 ( -2.794 -1.751 0.106) 3.299 7.910 ( 0.916 -1.371 0.067) 1.650 7.922 ( 5.768 3.309 -0.266) 6.656 8.029 ( 4.072 2.117 -0.210) 4.595 8.068 ( 2.923 3.503 -0.948) 4.660 8.111 ( 2.582 -1.533 4.694) 5.573 8.136 ( 1.198 5.458 0.515) 5.612 8.231 ( 1.984 -1.834 1.170) 2.945 8.287 ( 2.829 1.053 -6.748) 7.392 8.323 ( -0.583 3.235 -4.196) 5.331 8.415 ( -2.852 3.609 3.122) 5.559 8.437 ( 7.772 2.558 -1.843) 8.387 8.611 ( 0.291 -1.220 3.569) 3.783 8.626 ( 7.629 5.987 -3.916) 10.459 8.649 ( -4.444 -1.304 2.290) 5.167 8.730 ( -1.279 5.813 0.590) 5.981 8.810 ( 5.133 -4.237 0.925) 6.720 8.858 ( 1.042 -0.225 4.651) 4.772 8.967 ( 6.055 1.615 -8.111) 10.250 9.018 ( 0.000 -0.756 1.617) 1.785 9.062 ( 0.633 -1.166 0.776) 1.537 9.139 ( -1.355 3.177 -1.483) 3.759 9.317 ( 4.408 -0.794 10.561) 11.472 9.391 ( 7.847 -4.093 -1.861) 9.044 9.456 ( 5.346 -2.256 1.007) 5.890 9.572 ( 5.795 -2.756 2.855) 7.023 9.605 ( 7.331 -5.178 2.979) 9.456 9.720 ( 5.621 0.775 0.190) 5.678 9.765 ( 8.044 2.079 0.161) 8.310 10.026 ( 0.183 0.021 2.393) 2.400 10.082 ( -3.222 1.223 6.827) 7.648 10.192 ( -4.514 -2.146 0.376) 5.012 10.238 ( -3.311 -0.266 1.838) 3.796 10.248 ( -0.803 -2.126 1.611) 2.786 10.314 ( -1.187 2.584 -2.522) 3.801 10.438 ( -2.162 0.550 -4.653) 5.160 10.462 ( -5.395 -0.280 -3.966) 6.702 10.601 ( 1.449 4.509 -4.650) 6.637 10.701 ( -2.455 0.891 1.477) 3.000 10.809 ( -5.647 6.413 -3.672) 9.300 10.896 ( -8.096 0.531 6.720) 10.535 11.211 ( 0.448 -2.978 -1.154) 3.226 11.258 ( 1.147 -2.832 -1.663) 3.479 11.377 ( -4.357 -4.735 2.077) 6.761 11.514 ( 5.968 -5.332 -1.691) 8.179 11.604 ( 6.966 -0.915 3.219) 7.728 11.743 ( 10.355 0.063 -3.198) 10.838 12.324 ( 8.804 -2.491 1.009) 9.205 12.419 ( 6.184 -3.127 1.133) 7.022 12.542 ( 8.311 3.318 -2.406) 9.266 12.639 ( 12.771 1.495 0.556) 12.870 13.832 ( -12.609 0.293 -0.938) 12.648 13.943 ( -15.231 -2.290 0.363) 15.406 13.983 ( -8.983 4.211 0.725) 9.947 14.134 ( -11.167 1.402 0.291) 11.259 14.154 ( -17.089 0.967 1.278) 17.164 14.221 ( -4.836 1.305 1.269) 5.167 14.427 ( -12.739 1.129 1.528) 12.880 14.614 ( -4.638 -1.712 -1.993) 5.330 14.729 ( -5.466 1.170 2.119) 5.978 14.765 ( -7.764 -0.253 -1.712) 7.954 14.835 ( -14.829 2.193 -0.228) 14.992 15.118 ( -16.003 -8.737 -6.571) 19.381 15.174 ( -4.169 1.648 -0.812) 4.556 15.430 ( -1.030 1.051 -3.778) 4.054 15.462 ( -0.778 0.082 1.927) 2.080 15.695 ( 4.578 -2.671 -5.013) 7.295 15.872 ( -1.281 0.170 -1.576) 2.038 15.940 ( -1.313 2.109 -0.906) 2.645 16.017 ( 4.199 -1.307 -1.798) 4.751 16.067 ( 2.496 -1.957 4.027) 5.126 18.500 ( 10.916 0.672 0.695) 10.959 18.599 ( 11.944 -0.339 -0.912) 11.984 18.628 ( 8.065 -2.158 -1.704) 8.521 18.714 ( 8.425 -1.825 0.574) 8.639 24.685 ( -2.357 2.946 -2.525) 4.540 24.760 ( -1.083 2.652 1.998) 3.493 25.044 ( -6.962 -4.430 3.903) 9.129 25.154 ( -6.540 -11.995 -13.275) 19.050 26.517 ( 0.150 0.596 1.544) 1.662 26.550 ( 1.420 1.652 -1.160) 2.468 26.645 ( -0.915 -2.257 2.783) 3.698 26.702 ( 0.864 -2.798 -0.103) 2.930 27.904 ( -2.088 5.971 -0.114) 6.327 27.939 ( -1.950 7.832 0.750) 8.106 28.003 ( 0.388 6.887 0.714) 6.935 28.104 ( 2.010 12.262 -5.954) 13.779 28.366 ( -5.029 -3.834 -3.169) 7.073 28.558 ( -9.761 -1.124 -0.258) 9.829 28.821 ( 6.480 -1.335 9.106) 11.256 28.903 ( -0.038 -0.008 -0.060) 0.072 28.918 ( -1.208 -4.062 0.564) 4.276 29.095 ( 0.355 1.031 1.777) 2.084 29.383 ( -2.085 -2.604 6.552) 7.352 29.418 ( 3.616 -1.800 -2.653) 4.833 29.478 ( -7.285 1.000 4.347) 8.542 29.781 ( 7.406 -9.608 0.141) 12.132 30.113 ( -0.441 2.850 -0.039) 2.884 30.131 ( -1.661 0.370 0.428) 1.755 30.261 ( 3.764 7.957 -2.182) 9.069 30.341 ( 0.051 1.677 -0.031) 1.678 30.779 ( 7.812 -5.367 3.632) 10.150 30.913 ( 13.642 -2.030 -2.482) 14.014 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -11.604 10.528 20.188) 25.554 1.647 ( -16.482 16.231 29.189) 37.244 1.902 ( -1.253 -4.222 -16.460) 17.039 2.429 ( 8.045 -4.061 -3.990) 9.856 2.486 ( -7.232 10.575 -3.787) 13.359 2.704 ( -7.250 1.735 -6.571) 9.938 2.716 ( -12.115 17.780 14.300) 25.834 2.825 ( 1.103 -4.944 -2.701) 5.741 2.906 ( 6.707 -1.669 1.033) 6.988 2.993 ( 4.026 -12.937 4.874) 14.399 3.128 ( 8.471 -3.698 -4.822) 10.425 3.192 ( -2.966 7.761 12.411) 14.935 3.283 ( -4.565 -0.182 -2.653) 5.283 3.354 ( -2.433 -11.931 6.337) 13.727 3.405 ( 5.107 4.050 -1.493) 6.687 3.543 ( 2.473 6.014 -3.665) 7.464 3.736 ( 2.132 4.128 6.985) 8.389 3.775 ( 0.407 -1.161 -8.308) 8.398 3.856 ( 6.899 2.118 3.530) 8.034 3.923 ( -6.058 3.428 -7.216) 10.026 3.990 ( -5.747 -6.338 -2.039) 8.796 4.048 ( -2.947 1.647 -5.706) 6.630 4.240 ( 3.537 -1.118 -4.298) 5.678 4.287 ( 6.898 -6.246 7.130) 11.723 4.325 ( 5.512 5.425 -1.543) 7.887 4.414 ( 4.875 0.763 -5.446) 7.349 4.506 ( -2.261 -1.292 1.366) 2.941 4.538 ( -8.556 -3.190 -2.618) 9.499 4.543 ( 2.302 0.423 -4.482) 5.057 4.609 ( -3.692 2.116 -0.046) 4.255 4.710 ( -2.337 1.380 -0.427) 2.747 4.784 ( 4.097 1.858 0.371) 4.514 4.813 ( -8.860 -1.711 3.060) 9.528 4.841 ( 0.761 2.903 -0.702) 3.082 4.875 ( 3.461 -0.548 2.122) 4.097 4.974 ( -0.959 3.318 -0.074) 3.454 5.070 ( 7.850 -0.909 0.976) 7.963 5.135 ( -4.543 4.248 4.064) 7.430 5.195 ( -6.150 -2.146 -11.499) 13.216 5.211 ( 3.181 6.235 -6.473) 9.533 5.329 ( 0.474 -5.582 2.019) 5.954 5.361 ( -6.891 -2.886 12.236) 14.337 5.473 ( -7.065 11.998 5.921) 15.131 5.522 ( 1.284 -0.982 1.377) 2.124 5.700 ( 0.271 -11.777 1.290) 11.851 5.772 ( -5.611 2.841 -1.343) 6.431 5.802 ( 0.608 -6.932 -6.277) 9.371 5.885 ( 3.784 -7.872 -3.183) 9.296 5.993 ( -7.754 -5.331 4.068) 10.252 6.069 ( 0.932 -1.473 -8.425) 8.603 6.270 ( -0.919 4.357 -4.165) 6.097 6.325 ( 2.931 -2.837 1.592) 4.378 6.359 ( 2.928 -8.815 4.503) 10.322 6.450 ( 1.077 -7.785 -0.077) 7.859 6.463 ( 4.150 -4.276 2.237) 6.365 6.569 ( -1.020 3.451 -1.149) 3.777 6.628 ( 2.366 -2.900 -5.729) 6.843 6.697 ( -0.490 -0.797 -0.813) 1.239 6.740 ( -1.323 -2.230 -1.747) 3.127 6.826 ( 1.396 3.360 3.668) 5.166 6.936 ( -3.481 1.754 -2.897) 4.856 6.971 ( 0.039 -4.392 1.696) 4.708 7.021 ( -0.966 3.253 -0.306) 3.407 7.084 ( 4.050 0.882 -0.259) 4.153 7.133 ( 1.661 2.816 -0.580) 3.320 7.196 ( -1.971 4.567 3.012) 5.815 7.222 ( -0.905 2.745 0.884) 3.022 7.281 ( 0.733 -5.481 -2.304) 5.991 7.327 ( 2.859 0.230 5.584) 6.277 7.368 ( -3.914 0.199 -1.129) 4.079 7.417 ( 1.265 -7.867 0.302) 7.974 7.420 ( 2.485 -2.135 1.153) 3.473 7.474 ( -1.955 0.858 -3.690) 4.263 7.588 ( -0.118 0.581 -0.148) 0.611 7.756 ( -0.394 5.942 -0.819) 6.011 7.799 ( 0.279 -1.498 3.478) 3.797 7.826 ( -3.962 1.244 3.124) 5.197 7.863 ( 2.553 -3.705 1.743) 4.825 7.908 ( 0.026 1.442 -0.312) 1.475 7.973 ( 0.252 -0.408 -2.739) 2.781 8.050 ( -1.933 2.605 2.278) 3.964 8.089 ( 1.582 9.433 1.459) 9.676 8.103 ( -2.153 6.727 -1.355) 7.191 8.206 ( 0.093 3.694 -1.149) 3.869 8.246 ( 0.970 -1.750 -3.335) 3.889 8.300 ( 2.256 4.527 -1.864) 5.391 8.312 ( 1.915 1.282 -1.387) 2.690 8.391 ( -0.722 8.999 2.256) 9.305 8.496 ( -5.719 -1.864 -2.096) 6.370 8.597 ( 5.914 1.970 -0.975) 6.309 8.604 ( -4.215 8.745 -5.066) 10.950 8.753 ( 3.320 3.151 -1.862) 4.941 8.819 ( 7.924 -1.589 9.998) 12.856 8.844 ( -2.259 -0.980 1.885) 3.102 8.953 ( 3.121 -3.563 2.284) 5.258 8.983 ( 1.705 1.735 -1.404) 2.809 9.024 ( 2.890 0.240 -0.995) 3.066 9.100 ( 5.077 0.952 -2.797) 5.874 9.236 ( 5.895 -5.658 7.920) 11.380 9.452 ( 2.331 -2.114 1.900) 3.676 9.531 ( 8.803 -0.771 -1.721) 9.003 9.567 ( 3.831 -3.393 5.734) 7.685 9.670 ( 3.942 -3.305 1.112) 5.263 9.734 ( 3.172 -5.779 3.860) 7.639 9.843 ( 4.746 1.890 1.682) 5.378 9.925 ( 5.159 -0.145 1.510) 5.377 10.014 ( -5.231 1.453 4.838) 7.272 10.046 ( 0.581 2.707 1.323) 3.069 10.137 ( -3.043 0.743 -2.252) 3.857 10.144 ( -4.175 -4.809 3.371) 7.206 10.262 ( -0.873 1.053 -4.323) 4.534 10.297 ( -3.577 -1.848 -7.690) 8.681 10.358 ( -2.517 -1.477 -4.504) 5.367 10.478 ( 7.151 -0.145 4.432) 8.414 10.594 ( 3.330 6.296 -11.852) 13.828 10.706 ( 0.746 0.636 -0.255) 1.013 10.812 ( 4.685 0.243 2.728) 5.427 10.891 ( 13.988 -1.155 3.976) 14.588 11.032 ( -3.241 -3.870 -10.363) 11.527 11.278 ( -8.150 -3.531 8.174) 12.070 11.441 ( 6.259 -0.828 7.227) 9.596 11.642 ( 7.936 -5.754 -2.762) 10.184 11.757 ( 6.276 1.770 3.414) 7.361 11.902 ( 8.298 1.424 -4.947) 9.765 12.503 ( 8.215 -2.604 0.677) 8.644 12.542 ( 5.589 -2.140 2.627) 6.536 12.728 ( 11.593 5.819 -0.595) 12.985 12.886 ( 11.026 1.854 -0.984) 11.224 13.501 ( -16.780 0.315 -1.266) 16.831 13.571 ( -22.744 -1.652 3.029) 23.005 13.671 ( -24.106 3.844 2.131) 24.503 13.851 ( -13.885 1.084 -1.568) 14.015 14.011 ( -3.680 0.311 1.917) 4.161 14.123 ( -17.189 -5.628 -2.612) 18.274 14.144 ( -13.910 -0.478 -1.883) 14.045 14.266 ( -24.776 -2.257 -5.588) 25.498 14.600 ( -6.648 0.857 0.655) 6.735 14.612 ( -6.064 0.884 -1.412) 6.289 14.658 ( -5.269 -0.859 -4.253) 6.826 14.683 ( -5.399 -0.554 0.046) 5.427 15.195 ( 1.088 3.557 2.142) 4.292 15.361 ( -0.434 8.491 -6.421) 10.654 15.533 ( 0.571 -3.730 6.707) 7.695 15.717 ( 0.783 -3.320 -6.314) 7.176 15.853 ( 1.581 1.137 -0.379) 1.984 15.923 ( -0.819 0.883 0.915) 1.513 16.083 ( 2.535 -2.552 0.274) 3.607 16.115 ( 1.509 -2.226 0.260) 2.702 18.708 ( 8.907 0.604 1.031) 8.987 18.786 ( 7.596 -1.099 -0.710) 7.708 18.804 ( 9.204 0.793 -0.656) 9.262 18.870 ( 6.805 -0.718 0.069) 6.843 24.646 ( -0.302 1.985 -0.821) 2.169 24.731 ( -2.597 2.062 0.343) 3.334 24.909 ( -8.345 -5.804 -5.538) 11.575 24.928 ( -6.999 -3.196 -0.540) 7.713 26.532 ( -0.037 0.616 1.974) 2.068 26.569 ( 1.409 1.689 -1.504) 2.665 26.654 ( -0.491 -1.760 3.488) 3.938 26.714 ( 0.584 -2.529 -0.566) 2.656 27.867 ( -1.472 4.937 -0.196) 5.156 27.895 ( -2.067 5.480 -1.015) 5.944 28.024 ( 0.604 8.624 2.024) 8.879 28.096 ( 0.853 10.387 -3.819) 11.099 28.285 ( -2.557 -2.811 0.083) 3.801 28.388 ( -6.532 -0.945 -1.502) 6.768 28.854 ( -0.511 -1.311 -2.677) 3.024 28.862 ( 0.490 -1.702 0.284) 1.794 28.951 ( -2.074 2.217 2.237) 3.770 29.120 ( -5.638 -3.171 0.935) 6.536 29.336 ( 1.534 -0.806 1.373) 2.211 29.461 ( 3.076 -7.625 -1.620) 8.380 29.661 ( 14.693 -0.236 10.962) 18.333 29.924 ( 6.178 -5.021 -0.567) 7.981 30.057 ( -4.032 0.119 0.689) 4.092 30.115 ( -0.019 -0.961 -0.061) 0.963 30.209 ( -5.775 0.822 0.883) 5.899 30.336 ( -1.390 0.301 -4.969) 5.168 31.000 ( 9.390 -1.760 8.007) 12.465 31.176 ( 13.681 0.494 -3.860) 14.224 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -0.057 17.044 10.320) 19.925 1.750 ( 0.381 -0.849 -9.264) 9.311 2.128 ( -2.061 19.760 18.936) 27.446 2.315 ( -0.533 -6.361 8.019) 10.249 2.413 ( 1.206 -12.938 -5.865) 14.256 2.498 ( 1.812 -0.161 -9.902) 10.068 2.852 ( -0.080 -0.464 2.055) 2.108 2.919 ( 4.470 0.885 -4.219) 6.209 2.985 ( -2.975 -3.180 -1.397) 4.573 3.039 ( 1.874 -1.811 6.693) 7.182 3.062 ( 6.080 -6.502 -6.987) 11.316 3.239 ( 3.713 -12.411 -11.253) 17.160 3.407 ( 2.835 20.352 3.347) 20.819 3.439 ( -1.846 13.076 0.571) 13.218 3.551 ( 5.650 4.521 5.796) 9.272 3.626 ( -3.698 0.973 -5.440) 6.649 3.713 ( -2.372 1.739 1.150) 3.158 3.767 ( -1.345 -0.254 -3.177) 3.460 3.801 ( -2.397 4.197 1.898) 5.192 3.896 ( 5.315 5.611 -1.757) 7.926 4.021 ( -1.004 -3.023 8.020) 8.630 4.124 ( -4.770 7.471 12.835) 15.598 4.163 ( -5.006 -8.516 -0.626) 9.898 4.272 ( 1.453 0.181 -1.068) 1.812 4.306 ( -7.206 2.371 4.499) 8.820 4.311 ( -2.998 -1.378 4.909) 5.915 4.420 ( 1.450 -6.063 -2.374) 6.670 4.440 ( -2.227 -3.547 0.973) 4.300 4.527 ( 2.572 2.055 -3.560) 4.849 4.653 ( 3.813 -9.593 6.794) 12.358 4.724 ( -3.586 -2.595 7.196) 8.449 4.766 ( -3.095 -2.780 3.581) 5.490 4.791 ( -0.504 -0.116 3.812) 3.847 4.824 ( 4.336 0.511 -3.146) 5.382 4.913 ( -0.649 5.916 -6.579) 8.871 4.954 ( -2.636 1.052 -4.956) 5.711 5.074 ( 1.689 -1.108 4.497) 4.930 5.098 ( -3.057 0.790 2.965) 4.331 5.243 ( 0.846 3.976 2.734) 4.899 5.289 ( -1.541 3.989 -5.490) 6.959 5.323 ( 3.474 -0.002 -4.388) 5.596 5.438 ( 0.522 2.317 -3.208) 3.992 5.464 ( -0.266 -2.418 -5.021) 5.580 5.513 ( 6.721 -10.434 -2.293) 12.621 5.626 ( 2.254 2.659 4.802) 5.934 5.687 ( -1.528 -1.148 3.745) 4.204 5.786 ( -0.622 -3.398 0.567) 3.501 5.810 ( -5.498 -0.264 -0.834) 5.567 5.954 ( 1.194 13.439 -0.660) 13.508 6.029 ( 0.771 7.671 -8.729) 11.646 6.129 ( -2.196 -4.236 -3.213) 5.752 6.166 ( 1.073 -4.814 -7.866) 9.284 6.225 ( -1.510 -4.978 -3.959) 6.537 6.285 ( 5.531 -9.759 -5.678) 12.573 6.345 ( -7.016 -14.048 -5.283) 16.567 6.374 ( 7.222 -13.805 -6.337) 16.819 6.648 ( 0.122 1.585 7.080) 7.257 6.670 ( -0.161 -0.061 4.027) 4.031 6.773 ( 0.853 1.483 0.000) 1.711 6.779 ( -0.084 1.374 -0.969) 1.684 6.981 ( 0.915 2.207 4.597) 5.181 6.984 ( 1.333 0.887 2.725) 3.161 7.063 ( -3.918 5.327 2.150) 6.954 7.130 ( -3.252 -0.645 -0.078) 3.317 7.142 ( -5.442 0.666 -1.110) 5.594 7.195 ( -2.839 -1.252 1.508) 3.449 7.226 ( -0.813 -2.516 -0.883) 2.787 7.249 ( 3.852 -0.615 -1.182) 4.076 7.326 ( -0.453 0.915 -0.471) 1.124 7.361 ( 1.431 -2.910 -1.864) 3.740 7.419 ( -0.071 1.325 0.393) 1.384 7.434 ( 0.837 -0.097 -1.322) 1.568 7.629 ( 6.140 3.046 0.773) 6.898 7.663 ( -1.918 0.015 -1.783) 2.619 7.758 ( 4.109 3.075 5.927) 7.841 7.774 ( -2.362 2.096 4.275) 5.315 7.854 ( 0.405 0.912 2.845) 3.015 7.912 ( 2.305 -3.185 1.225) 4.118 7.957 ( 0.847 3.406 0.848) 3.611 7.995 ( -1.317 0.680 -1.087) 1.837 8.088 ( -0.639 4.387 0.500) 4.461 8.133 ( -4.490 -0.187 -0.463) 4.518 8.178 ( -2.745 1.264 -2.290) 3.792 8.210 ( 1.273 2.615 -5.254) 6.005 8.217 ( 4.297 -0.641 -0.273) 4.353 8.293 ( 0.586 -3.899 -5.629) 6.873 8.459 ( 2.333 5.092 6.332) 8.454 8.517 ( 4.461 -0.248 3.224) 5.509 8.555 ( -1.149 4.769 -0.745) 4.962 8.576 ( -5.387 3.283 -2.810) 6.906 8.789 ( -1.914 5.166 1.350) 5.672 8.809 ( -1.700 0.893 1.248) 2.290 8.825 ( -1.229 5.824 3.150) 6.734 8.907 ( 1.507 -0.148 -2.257) 2.718 8.962 ( -1.872 -2.124 3.807) 4.744 8.996 ( 4.950 -2.526 2.764) 6.207 9.110 ( -1.845 4.245 2.398) 5.213 9.208 ( 2.883 5.961 -5.000) 8.297 9.227 ( 1.314 -8.356 8.141) 11.740 9.371 ( -1.119 -6.601 -5.331) 8.558 9.569 ( 2.060 -2.573 4.278) 5.400 9.579 ( -1.240 -3.343 2.864) 4.573 9.610 ( -2.161 -3.306 0.964) 4.065 9.638 ( 1.208 -4.883 -0.427) 5.048 9.965 ( -0.647 1.670 0.849) 1.982 9.968 ( -3.772 1.294 0.356) 4.003 9.999 ( -1.909 2.269 5.700) 6.426 10.043 ( -0.584 -2.031 2.624) 3.369 10.119 ( 1.364 2.850 -4.026) 5.117 10.170 ( 1.536 -2.143 -6.522) 7.034 10.202 ( 4.409 2.039 0.863) 4.934 10.237 ( 0.801 -1.669 -1.594) 2.443 10.337 ( -0.621 5.586 0.959) 5.702 10.412 ( -5.078 -0.255 -4.632) 6.878 10.689 ( -0.410 -1.543 -1.632) 2.283 10.733 ( -4.996 -5.567 -4.911) 8.949 10.890 ( 3.364 4.534 1.395) 5.816 10.936 ( -1.899 5.882 -3.534) 7.120 11.024 ( 2.146 -8.772 2.902) 9.485 11.086 ( 0.639 -8.244 -3.759) 9.084 11.554 ( 0.246 1.205 2.168) 2.493 11.600 ( -0.369 -3.815 -2.156) 4.398 11.950 ( 1.359 3.634 3.195) 5.026 11.994 ( 0.923 -0.380 -0.976) 1.396 12.611 ( 1.572 0.291 1.859) 2.452 12.617 ( 0.406 -0.389 1.964) 2.043 13.004 ( -0.430 2.534 -1.446) 2.949 13.018 ( 2.035 1.187 -2.707) 3.588 13.341 ( -7.274 0.750 0.792) 7.356 13.349 ( 1.073 0.186 0.443) 1.176 13.360 ( -0.584 0.491 0.322) 0.828 13.371 ( 5.710 -0.471 -0.384) 5.742 13.958 ( -2.551 3.290 0.867) 4.252 13.976 ( 2.561 3.170 -0.936) 4.181 14.026 ( -5.012 -3.613 0.825) 6.233 14.042 ( 5.903 -3.478 -0.680) 6.885 14.576 ( 0.259 1.404 -0.023) 1.428 14.576 ( -0.919 1.265 0.054) 1.564 14.608 ( -1.005 -0.757 0.057) 1.259 14.610 ( 0.661 -0.802 -0.149) 1.050 15.345 ( -0.523 7.059 5.450) 8.933 15.464 ( -0.852 2.950 -1.948) 3.636 15.479 ( -0.846 -0.757 1.492) 1.875 15.601 ( 0.320 -5.602 -6.099) 8.287 15.897 ( -0.961 1.258 2.530) 2.985 15.922 ( -0.275 -0.776 0.675) 1.064 16.064 ( 0.289 -0.148 -0.410) 0.523 16.093 ( 1.573 -2.647 -2.898) 4.228 18.827 ( 0.638 0.787 0.989) 1.416 18.841 ( -0.032 -0.559 -0.283) 0.627 18.918 ( 0.122 0.317 -0.341) 0.482 18.925 ( -0.662 -0.325 -0.893) 1.158 24.707 ( 2.276 2.706 0.442) 3.563 24.720 ( -2.480 2.560 -0.800) 3.653 24.769 ( 2.161 -2.847 0.500) 3.609 24.781 ( -2.627 -2.915 -0.667) 3.980 26.570 ( -0.958 2.373 2.729) 3.741 26.610 ( 0.341 0.166 0.030) 0.381 26.630 ( -0.066 -0.610 1.185) 1.334 26.668 ( 0.702 -2.665 -1.314) 3.053 27.959 ( -0.485 5.807 0.398) 5.841 27.969 ( -0.534 5.571 -0.703) 5.641 28.107 ( -0.539 -2.950 1.301) 3.269 28.126 ( 1.320 -4.559 -0.754) 4.806 28.345 ( 1.193 8.454 2.349) 8.855 28.387 ( -1.502 6.162 -1.872) 6.613 28.813 ( 0.655 -2.950 -0.628) 3.086 28.824 ( -1.537 -3.073 -1.514) 3.755 28.976 ( 1.249 0.758 0.552) 1.562 28.986 ( -0.012 -0.356 -0.511) 0.623 29.309 ( -0.184 -2.891 -0.577) 2.954 29.320 ( -0.777 -4.661 -1.697) 5.021 29.939 ( 1.923 -0.655 0.210) 2.042 29.952 ( 2.163 -1.885 -1.195) 3.108 30.023 ( 2.204 0.042 0.313) 2.226 30.031 ( -0.693 -0.811 -0.451) 1.158 30.156 ( -0.495 -0.175 1.309) 1.410 30.172 ( -3.600 -2.186 -0.219) 4.218 31.198 ( -0.052 3.635 5.115) 6.276 31.266 ( 0.436 -2.949 -1.869) 3.518 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 7.743 10.934 8.793) 16.026 1.765 ( 7.757 5.796 -8.442) 12.846 2.234 ( 0.294 2.525 13.316) 13.557 2.346 ( -2.728 -7.515 1.414) 8.119 2.489 ( 9.645 -0.744 3.074) 10.150 2.515 ( 7.447 12.464 -18.558) 23.563 2.784 ( -10.932 -3.806 -2.822) 11.915 2.819 ( -3.352 -0.232 -2.764) 4.351 2.927 ( -6.916 -11.218 -9.609) 16.310 2.976 ( 2.585 -2.867 0.014) 3.860 3.127 ( -2.392 -4.979 -1.839) 5.822 3.190 ( 1.948 -7.613 -3.989) 8.813 3.378 ( -4.072 9.122 -1.438) 10.093 3.451 ( -9.090 3.771 -0.432) 9.851 3.557 ( 7.677 7.860 -0.411) 10.995 3.651 ( -0.501 -1.031 -0.318) 1.190 3.693 ( -2.068 6.205 1.041) 6.623 3.766 ( -4.957 3.909 1.219) 6.429 3.841 ( 4.480 2.038 1.059) 5.034 3.908 ( 4.406 1.114 -2.704) 5.288 4.006 ( -6.089 -2.734 6.171) 9.090 4.079 ( -11.787 8.279 0.101) 14.404 4.186 ( -1.263 -7.664 -0.060) 7.768 4.215 ( -0.777 -0.600 6.682) 6.754 4.296 ( -3.532 -5.086 4.386) 7.588 4.356 ( 3.219 -7.214 5.614) 9.691 4.423 ( 3.458 4.860 6.949) 9.158 4.520 ( 8.627 -0.391 13.206) 15.779 4.608 ( 4.717 10.762 9.938) 15.390 4.687 ( 3.708 5.649 -14.620) 16.106 4.725 ( 0.848 2.565 2.586) 3.740 4.759 ( 1.248 1.620 0.201) 2.055 4.796 ( 3.868 1.534 0.702) 4.220 4.877 ( 1.764 -2.009 -2.698) 3.798 4.923 ( 1.732 -2.602 -2.124) 3.779 4.986 ( 6.226 -9.063 4.330) 11.817 5.048 ( -1.041 6.553 0.594) 6.662 5.123 ( -5.964 -1.332 2.010) 6.433 5.168 ( -3.604 9.683 1.175) 10.398 5.306 ( 6.003 -4.441 -0.230) 7.471 5.324 ( 2.840 -3.898 -1.917) 5.189 5.424 ( 4.430 -10.914 -13.897) 18.217 5.461 ( -1.411 -2.632 -8.115) 8.647 5.528 ( 3.294 0.834 -2.207) 4.052 5.636 ( -2.711 -2.000 -0.385) 3.391 5.708 ( 2.399 -2.950 -1.676) 4.155 5.757 ( -0.309 6.050 9.837) 11.553 5.818 ( -0.754 3.339 1.794) 3.864 5.926 ( 0.629 7.445 -0.461) 7.485 6.089 ( 4.088 2.396 2.556) 5.384 6.142 ( 1.945 -8.670 -8.171) 12.072 6.204 ( 5.136 -3.394 0.839) 6.213 6.228 ( 2.947 -8.313 -0.737) 8.851 6.303 ( 5.167 -0.940 -3.969) 6.583 6.323 ( 3.003 -6.001 -1.961) 6.991 6.545 ( 10.839 -10.964 -3.161) 15.738 6.642 ( -5.212 1.426 2.485) 5.947 6.661 ( -2.529 0.785 2.413) 3.582 6.761 ( 3.551 0.645 0.195) 3.614 6.798 ( 2.810 -1.447 -2.903) 4.292 6.945 ( -6.445 4.681 2.731) 8.421 6.990 ( -4.219 2.187 0.325) 4.763 7.050 ( -2.155 0.504 3.887) 4.473 7.069 ( -2.955 1.307 2.964) 4.385 7.092 ( -5.841 -5.947 2.007) 8.574 7.147 ( 2.615 -2.598 6.003) 7.045 7.234 ( 0.810 5.112 -2.148) 5.604 7.265 ( -0.849 1.526 0.695) 1.880 7.329 ( -4.157 -3.834 0.156) 5.657 7.340 ( 3.319 -4.713 -2.192) 6.167 7.393 ( -2.414 1.078 -1.373) 2.979 7.426 ( -1.376 -1.509 -2.546) 3.264 7.564 ( -1.027 7.309 -3.000) 7.967 7.657 ( -4.109 -0.090 -2.182) 4.653 7.778 ( 1.472 1.083 -0.417) 1.874 7.812 ( -2.244 -1.712 -0.479) 2.863 7.873 ( -0.854 2.177 2.622) 3.513 7.900 ( 1.515 -0.987 1.279) 2.214 7.940 ( -2.402 5.975 -3.771) 7.463 8.014 ( -7.143 -1.315 3.695) 8.149 8.043 ( -0.166 0.213 4.612) 4.620 8.068 ( -0.311 -1.065 -3.045) 3.241 8.181 ( 2.845 2.476 -1.462) 4.044 8.220 ( 2.698 -0.913 -6.169) 6.794 8.324 ( 5.905 4.384 -2.370) 7.726 8.383 ( 7.377 -1.180 1.032) 7.542 8.438 ( -1.144 3.421 -0.843) 3.705 8.488 ( -0.085 0.420 -1.995) 2.040 8.608 ( -1.941 7.205 8.598) 11.385 8.649 ( -9.707 4.638 -1.124) 10.817 8.660 ( 4.066 3.318 -0.174) 5.251 8.757 ( -1.325 -2.407 4.215) 5.031 8.805 ( -3.505 2.488 1.061) 4.427 8.840 ( -8.757 -2.727 -0.896) 9.215 8.903 ( -3.299 5.578 -0.695) 6.518 9.021 ( -2.486 -1.750 -1.356) 3.328 9.062 ( -3.389 2.555 0.709) 4.303 9.182 ( -7.421 -8.767 0.936) 11.524 9.215 ( 0.544 5.233 -4.270) 6.776 9.328 ( -2.567 -5.436 0.152) 6.014 9.527 ( -3.999 -1.649 0.830) 4.404 9.550 ( -2.314 -3.792 0.021) 4.442 9.614 ( -1.378 -0.641 1.368) 2.045 9.650 ( -1.992 -4.004 -0.018) 4.472 9.862 ( -6.400 1.565 1.949) 6.871 9.913 ( -3.900 -3.850 0.700) 5.525 10.066 ( 2.405 1.425 6.055) 6.669 10.073 ( 0.667 0.837 5.174) 5.283 10.132 ( 0.079 3.176 -2.718) 4.181 10.167 ( -0.321 -0.019 -4.662) 4.673 10.246 ( 6.070 2.085 -4.367) 7.763 10.270 ( -2.479 2.492 -4.263) 5.525 10.317 ( 0.831 0.179 1.769) 1.962 10.407 ( -6.283 -6.859 1.677) 9.452 10.481 ( -5.066 5.569 8.393) 11.275 10.616 ( -5.276 -7.430 5.964) 10.891 10.805 ( -4.061 3.415 -2.151) 5.725 10.881 ( -5.895 -3.685 0.008) 6.951 10.999 ( 5.357 8.011 -2.128) 9.869 11.213 ( 8.587 -13.031 -4.318) 16.193 11.516 ( -4.522 -0.318 0.189) 4.537 11.529 ( -4.748 -1.810 -0.939) 5.167 11.879 ( -8.053 3.286 -0.170) 8.699 11.910 ( -6.852 0.203 -1.829) 7.095 12.532 ( -6.895 1.154 -2.044) 7.284 12.555 ( -5.707 -1.140 -1.764) 6.082 12.812 ( -12.955 4.775 -0.327) 13.811 12.885 ( -11.148 -2.173 -0.718) 11.381 13.521 ( 18.701 2.256 -1.413) 18.889 13.582 ( 20.942 -4.142 -3.540) 21.639 13.754 ( 25.737 3.063 1.427) 25.958 13.801 ( 24.872 -1.560 2.985) 25.099 13.989 ( 8.458 1.457 0.985) 8.639 14.034 ( 9.147 -2.835 -0.477) 9.589 14.181 ( 16.915 3.378 -1.175) 17.289 14.239 ( 13.432 -2.122 -0.889) 13.628 14.581 ( 1.894 0.486 1.588) 2.519 14.591 ( 1.702 -0.469 1.565) 2.359 14.660 ( 7.666 1.251 -1.339) 7.881 14.682 ( 6.947 -0.901 -0.985) 7.074 15.343 ( -3.472 6.584 4.125) 8.510 15.412 ( -2.523 5.093 -0.776) 5.736 15.485 ( -1.174 -2.904 4.482) 5.468 15.569 ( 0.020 -5.916 -4.599) 7.493 15.868 ( -3.064 2.278 1.899) 4.264 15.915 ( -1.384 -2.322 1.343) 3.018 16.062 ( 0.330 0.921 -1.586) 1.863 16.099 ( 1.022 -2.732 -2.613) 3.916 18.751 ( -8.356 0.817 -1.508) 8.530 18.763 ( -7.359 -0.339 0.040) 7.367 18.812 ( -9.800 0.777 0.218) 9.834 18.835 ( -8.311 -1.474 1.008) 8.500 24.690 ( -0.097 3.278 -0.093) 3.281 24.759 ( 1.475 -3.649 0.594) 3.980 24.786 ( 4.302 3.290 0.282) 5.423 24.862 ( 6.461 -4.267 0.065) 7.743 26.556 ( -1.823 2.758 1.791) 3.760 26.614 ( -0.971 -2.831 1.654) 3.419 26.626 ( 0.169 1.769 -1.296) 2.199 26.672 ( 0.434 -2.402 -1.308) 2.769 27.963 ( 0.989 5.823 0.882) 5.972 28.004 ( 3.215 4.969 1.323) 6.065 28.114 ( 1.434 -0.136 -0.263) 1.464 28.192 ( 5.344 -4.431 -1.377) 7.078 28.330 ( -2.841 8.240 -1.336) 8.818 28.375 ( 0.448 4.094 2.116) 4.631 28.786 ( -1.069 -1.029 0.168) 1.493 28.831 ( 0.912 -3.895 0.360) 4.016 29.018 ( 2.960 0.123 -2.147) 3.659 29.035 ( 2.888 -3.185 -0.419) 4.320 29.299 ( 0.742 -1.863 0.457) 2.056 29.314 ( 1.007 -3.390 0.782) 3.621 29.776 ( -9.918 0.800 -2.139) 10.177 29.829 ( -9.247 -4.425 -1.418) 10.349 30.084 ( 3.601 1.295 -0.208) 3.832 30.102 ( 1.240 -0.384 0.714) 1.482 30.231 ( 6.831 0.332 0.470) 6.856 30.255 ( 7.397 -1.650 0.800) 7.621 31.092 ( -13.278 2.063 2.853) 13.737 31.128 ( -12.114 -1.553 -2.746) 12.518 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 6.358 4.363 1.347) 7.828 1.904 ( 8.884 5.077 -1.635) 10.362 2.189 ( -4.932 6.015 -2.763) 8.255 2.344 ( -0.135 -7.755 8.951) 11.844 2.437 ( -2.212 9.682 -9.916) 14.035 2.644 ( -3.392 -3.791 -9.132) 10.454 2.655 ( -5.624 -6.013 -1.177) 8.317 2.705 ( 6.318 -7.176 -2.096) 9.788 2.923 ( 7.127 4.727 3.177) 9.123 3.009 ( 3.575 1.655 -4.013) 5.624 3.056 ( -9.297 0.531 6.700) 11.472 3.158 ( 3.547 -3.310 -7.614) 9.028 3.271 ( -9.584 -2.655 7.967) 12.742 3.330 ( -3.427 -6.092 5.420) 8.845 3.582 ( -6.986 0.178 0.688) 7.022 3.589 ( -3.613 0.668 -0.415) 3.698 3.669 ( -4.399 6.328 1.964) 7.954 3.727 ( 1.459 4.592 0.496) 4.843 3.814 ( -7.493 3.372 4.866) 9.549 3.851 ( -4.548 5.855 -1.346) 7.536 3.939 ( -5.778 -6.627 10.953) 14.045 3.983 ( -9.230 -6.430 4.476) 12.107 4.074 ( 2.413 -3.937 -2.605) 5.301 4.159 ( 0.270 -8.482 -11.084) 13.959 4.382 ( 2.957 4.607 -0.097) 5.476 4.414 ( 0.778 2.119 0.565) 2.327 4.570 ( 0.840 6.400 2.275) 6.844 4.632 ( 1.480 3.728 -13.051) 13.654 4.677 ( 4.107 6.728 -0.016) 7.883 4.701 ( 1.036 -0.338 -2.573) 2.794 4.784 ( -4.877 0.734 -6.721) 8.336 4.835 ( 6.243 -0.758 4.728) 7.868 4.860 ( 2.445 5.007 3.108) 6.380 4.944 ( 6.367 -1.477 4.554) 7.966 5.003 ( 3.065 6.807 -4.700) 8.822 5.067 ( 10.192 -0.467 1.490) 10.311 5.106 ( 4.255 6.585 -3.023) 8.403 5.156 ( 4.942 1.888 1.797) 5.587 5.174 ( 8.811 -1.889 2.736) 9.417 5.330 ( 7.634 2.425 -11.540) 14.048 5.417 ( 5.129 -12.281 -0.519) 13.319 5.445 ( 5.552 -7.720 -9.282) 13.288 5.543 ( -1.929 3.153 4.355) 5.713 5.595 ( 8.643 1.467 10.208) 13.456 5.661 ( -3.569 -5.259 2.505) 6.831 5.730 ( 9.347 -8.565 5.021) 13.636 5.783 ( 0.878 6.600 6.178) 9.083 5.894 ( 6.628 0.569 -3.573) 7.551 5.989 ( 2.822 7.288 2.443) 8.188 6.127 ( 0.355 -3.867 2.831) 4.806 6.164 ( 2.503 -0.954 1.061) 2.881 6.211 ( -5.781 -1.236 -2.940) 6.602 6.274 ( 4.999 -1.580 0.092) 5.244 6.319 ( -1.085 -2.507 -0.871) 2.867 6.498 ( 7.016 4.413 6.281) 10.400 6.559 ( -1.194 5.233 -1.546) 5.586 6.624 ( -1.152 -2.661 0.453) 2.935 6.650 ( 0.871 -0.963 -3.289) 3.536 6.768 ( -4.264 -3.049 -4.009) 6.599 6.806 ( -0.440 -3.342 -2.084) 3.963 6.914 ( -4.076 0.945 4.139) 5.886 6.933 ( -3.951 3.418 4.433) 6.852 6.966 ( -1.633 -2.976 -0.931) 3.520 7.001 ( -2.352 -4.090 0.051) 4.718 7.108 ( 1.344 1.454 4.220) 4.661 7.146 ( -3.613 2.077 0.121) 4.170 7.215 ( -0.895 -1.465 -0.483) 1.783 7.239 ( -2.346 -0.708 1.532) 2.890 7.285 ( 1.255 -4.627 0.762) 4.855 7.343 ( -0.421 -4.469 0.455) 4.511 7.407 ( 4.157 0.104 -1.276) 4.350 7.445 ( 5.056 -2.507 -3.226) 6.501 7.560 ( 0.720 3.178 -1.626) 3.642 7.599 ( -1.785 0.570 0.386) 1.913 7.720 ( -5.613 3.056 -0.120) 6.392 7.762 ( -2.376 -0.596 0.788) 2.573 7.812 ( -4.138 3.293 0.685) 5.332 7.896 ( 0.227 -1.245 -1.994) 2.362 7.923 ( -2.731 -3.474 -0.272) 4.427 7.928 ( -3.143 -2.564 1.763) 4.423 8.044 ( -1.096 2.592 -0.700) 2.900 8.083 ( 0.086 -1.047 1.235) 1.621 8.188 ( -0.896 2.077 -0.707) 2.370 8.197 ( -0.151 0.846 -5.208) 5.279 8.301 ( -4.310 4.465 -5.453) 8.261 8.368 ( -11.233 1.506 -4.101) 12.053 8.416 ( -6.863 2.730 -1.541) 7.544 8.480 ( -4.878 1.281 1.350) 5.221 8.512 ( 4.718 1.734 0.026) 5.026 8.570 ( 2.348 0.185 2.030) 3.109 8.632 ( -6.477 3.138 1.298) 7.313 8.689 ( -3.073 -2.822 -4.081) 5.836 8.791 ( 1.178 2.559 2.135) 3.535 8.816 ( -3.676 6.399 0.805) 7.423 8.869 ( 1.775 -2.547 3.383) 4.591 8.937 ( -3.032 -2.636 -2.064) 4.517 9.024 ( 0.313 4.722 0.886) 4.815 9.081 ( -4.059 -1.140 1.673) 4.536 9.160 ( -3.172 -0.376 -2.310) 3.942 9.212 ( -8.839 -4.969 1.033) 10.192 9.452 ( -4.136 1.372 -0.590) 4.397 9.487 ( -5.138 -1.700 -1.051) 5.513 9.530 ( -5.515 -1.294 -1.983) 6.002 9.582 ( -4.903 -4.777 -2.306) 7.223 9.725 ( -5.699 2.508 1.017) 6.309 9.787 ( -5.729 -2.917 -0.895) 6.491 10.053 ( -4.418 3.575 1.995) 6.023 10.115 ( -1.137 -2.131 4.072) 4.734 10.194 ( 3.925 0.925 4.061) 5.723 10.201 ( 1.606 1.566 1.124) 2.509 10.216 ( 1.782 -0.753 8.095) 8.323 10.255 ( 1.946 -3.299 -3.052) 4.898 10.363 ( 8.096 2.407 -1.909) 8.659 10.417 ( 7.145 -2.485 -0.353) 7.573 10.619 ( 3.208 5.530 5.759) 8.604 10.668 ( 3.515 0.344 7.164) 7.988 10.811 ( 4.934 3.160 1.183) 5.977 10.896 ( 3.481 -4.872 6.673) 8.966 11.048 ( 1.452 7.208 -3.723) 8.242 11.250 ( -2.994 -11.178 -4.050) 12.260 11.432 ( -1.210 -2.571 -5.797) 6.456 11.433 ( -4.201 -1.626 -1.017) 4.618 11.710 ( -8.039 2.367 -2.304) 8.691 11.754 ( -6.061 -2.022 -4.188) 7.639 12.369 ( -7.176 1.467 -4.135) 8.411 12.410 ( -7.030 -2.580 -3.635) 8.324 12.579 ( -10.554 4.714 -0.047) 11.559 12.657 ( -10.889 -2.800 -1.761) 11.380 13.849 ( 14.385 1.647 -1.105) 14.521 13.897 ( 13.790 -3.538 -1.657) 14.333 14.065 ( 7.055 4.811 2.230) 8.826 14.132 ( 10.859 -1.994 1.590) 11.155 14.212 ( 14.410 2.982 -1.665) 14.810 14.266 ( 7.942 -2.172 -3.312) 8.875 14.481 ( 10.595 1.695 0.180) 10.731 14.521 ( 9.747 -2.249 2.328) 10.270 14.717 ( 9.783 0.537 3.616) 10.444 14.735 ( 10.125 -0.731 2.719) 10.509 14.901 ( 18.350 1.510 -2.563) 18.589 14.925 ( 20.492 -0.599 -0.549) 20.508 15.282 ( -2.719 6.257 -0.121) 6.824 15.371 ( -2.123 -0.913 4.339) 4.916 15.485 ( -1.224 -1.351 1.727) 2.511 15.531 ( -2.102 -4.186 -1.724) 4.992 15.837 ( -1.459 3.072 3.797) 5.097 15.895 ( -1.626 -2.847 2.211) 3.954 16.052 ( 0.124 1.799 -2.892) 3.408 16.094 ( 0.275 -2.463 -2.971) 3.869 18.539 ( -11.265 1.301 -1.277) 11.412 18.569 ( -10.887 -1.772 -1.006) 11.076 18.613 ( -10.541 1.880 1.163) 10.771 18.660 ( -9.666 -2.951 0.877) 10.144 24.716 ( 2.008 4.768 1.977) 5.539 24.825 ( 3.460 -6.409 3.825) 8.226 24.867 ( 3.802 5.259 -1.086) 6.579 24.986 ( 6.407 -6.862 -1.689) 9.538 26.535 ( -1.394 2.846 1.536) 3.521 26.597 ( -1.482 -3.024 1.031) 3.522 26.620 ( -0.020 1.523 -1.532) 2.161 26.663 ( -0.341 -2.273 -1.525) 2.758 28.003 ( 2.046 6.615 1.762) 7.145 28.089 ( 2.944 1.254 3.231) 4.547 28.159 ( 3.719 6.807 -1.611) 7.922 28.246 ( 0.932 7.960 -3.727) 8.839 28.293 ( -0.207 0.916 0.920) 1.315 28.445 ( 7.049 -7.028 2.490) 10.260 28.785 ( -0.622 1.170 2.270) 2.628 28.854 ( 1.264 -3.141 0.571) 3.434 28.988 ( -4.829 -2.639 -3.571) 6.560 29.015 ( -4.260 -5.881 -0.263) 7.267 29.364 ( 3.335 1.713 0.716) 3.817 29.400 ( 4.931 -1.922 -0.801) 5.352 29.615 ( -1.471 1.732 -3.112) 3.853 29.675 ( -3.447 -4.194 -1.490) 5.630 30.130 ( -0.053 0.578 1.421) 1.535 30.134 ( 0.512 0.211 1.204) 1.325 30.332 ( 3.032 4.648 1.200) 5.678 30.387 ( 5.888 -0.543 -1.703) 6.153 30.789 ( -17.353 0.214 0.578) 17.364 30.829 ( -15.239 -3.557 -2.831) 15.902 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 4.578 3.231 0.322) 5.613 2.047 ( 10.193 -3.778 0.557) 10.885 2.161 ( -5.202 6.679 -2.203) 8.748 2.298 ( -9.542 -6.608 2.790) 11.938 2.395 ( 1.164 4.676 7.592) 8.992 2.526 ( -3.262 -6.772 10.681) 13.060 2.714 ( 9.285 4.600 -9.465) 14.034 2.782 ( 10.094 -3.495 -8.120) 13.417 2.958 ( -2.933 4.073 3.905) 6.359 3.022 ( 4.182 -0.400 1.417) 4.433 3.091 ( -1.907 2.883 -1.406) 3.732 3.130 ( -4.040 2.122 1.748) 4.886 3.235 ( -8.303 -2.799 1.933) 8.973 3.273 ( -6.857 -1.916 4.962) 8.678 3.403 ( -4.200 1.567 -4.008) 6.013 3.505 ( -2.028 -3.012 5.497) 6.588 3.558 ( -6.589 -4.769 1.505) 8.272 3.647 ( -4.136 -9.529 7.174) 12.624 3.788 ( 1.423 6.485 -2.452) 7.077 3.878 ( 4.722 3.627 3.630) 6.973 3.923 ( 3.477 1.430 1.175) 3.939 3.961 ( 0.709 -6.445 -7.069) 9.592 4.067 ( -1.803 -3.341 0.495) 3.829 4.080 ( -1.400 -3.303 -7.860) 8.640 4.353 ( -3.116 2.603 -1.860) 4.466 4.400 ( -1.072 -0.714 2.691) 2.984 4.553 ( -1.603 4.630 -0.836) 4.970 4.587 ( -0.714 3.024 -3.374) 4.587 4.645 ( -0.852 -1.449 -6.508) 6.721 4.661 ( 1.888 -2.392 -10.801) 11.223 4.803 ( 4.147 10.962 -2.058) 11.899 4.856 ( -3.151 6.226 1.132) 7.069 4.932 ( -3.841 4.693 2.657) 6.621 4.975 ( 5.465 7.101 -10.237) 13.605 5.099 ( 2.086 2.003 2.765) 4.001 5.185 ( 3.814 -2.728 3.160) 5.654 5.218 ( -0.134 -10.531 -2.088) 10.737 5.258 ( 5.451 -1.682 2.258) 6.135 5.338 ( 6.882 0.292 0.837) 6.939 5.418 ( -3.285 -7.558 1.541) 8.383 5.475 ( 12.624 4.178 -2.924) 13.615 5.540 ( 0.175 -2.163 3.747) 4.330 5.581 ( 5.284 3.494 3.657) 7.315 5.671 ( 5.427 -1.280 -1.311) 5.728 5.750 ( 1.807 1.448 1.675) 2.858 5.837 ( -8.042 7.687 0.473) 11.135 5.883 ( 1.947 -3.867 -1.105) 4.469 5.933 ( -3.970 -1.009 -4.149) 5.830 6.038 ( -2.156 6.069 0.509) 6.461 6.106 ( 9.125 9.022 13.604) 18.701 6.161 ( -3.142 -1.966 0.452) 3.734 6.278 ( 2.811 -2.734 6.662) 7.730 6.301 ( -1.004 1.657 -2.249) 2.969 6.349 ( 2.020 -3.856 -0.051) 4.353 6.494 ( -1.501 0.222 -3.037) 3.394 6.587 ( 0.211 3.371 1.455) 3.677 6.604 ( -0.864 -8.128 -3.713) 8.977 6.653 ( 4.691 -3.051 0.561) 5.624 6.705 ( 3.861 6.666 2.419) 8.074 6.783 ( -3.374 -1.219 0.320) 3.602 6.856 ( -0.815 4.745 0.447) 4.835 6.923 ( -0.413 -1.879 -0.015) 1.923 6.944 ( 4.705 -3.115 0.127) 5.644 6.962 ( -3.611 -3.248 0.914) 4.943 7.105 ( 0.192 3.887 2.488) 4.619 7.122 ( -3.142 2.857 3.812) 5.707 7.227 ( -1.539 -0.679 2.152) 2.732 7.256 ( 0.795 -6.318 0.016) 6.368 7.360 ( 4.409 -0.986 -0.091) 4.518 7.415 ( 6.950 -8.079 -0.194) 10.659 7.419 ( 2.785 3.864 -3.614) 5.979 7.486 ( -1.242 1.923 0.275) 2.305 7.510 ( -1.277 -2.185 -0.369) 2.558 7.576 ( -6.144 -3.626 2.256) 7.482 7.613 ( -3.620 3.352 -2.119) 5.369 7.748 ( -2.621 -6.133 0.050) 6.670 7.800 ( -1.081 1.631 3.188) 3.740 7.828 ( -4.094 -1.984 0.597) 4.588 7.842 ( 0.023 1.295 -3.405) 3.643 7.902 ( -0.699 -3.144 -1.747) 3.664 7.979 ( -4.493 3.401 -1.897) 5.946 8.041 ( -1.791 1.622 -6.809) 7.225 8.059 ( -5.054 -2.535 -2.982) 6.393 8.091 ( -3.764 -2.410 -6.986) 8.294 8.281 ( -0.361 3.968 0.357) 4.000 8.298 ( -0.943 3.218 -0.162) 3.358 8.320 ( 4.242 2.521 2.966) 5.757 8.411 ( -1.331 -3.067 0.664) 3.409 8.555 ( -0.233 2.051 1.910) 2.813 8.592 ( -1.983 1.862 -1.464) 3.089 8.614 ( 2.287 2.805 -1.846) 4.063 8.623 ( 0.129 0.889 -1.348) 1.620 8.768 ( -1.698 0.766 -1.011) 2.119 8.802 ( -1.638 0.380 2.464) 2.984 8.844 ( -4.438 -0.638 4.383) 6.270 8.904 ( -1.449 -4.459 1.896) 5.057 8.973 ( -1.339 2.734 -5.091) 5.932 9.030 ( -4.893 -0.925 -1.907) 5.332 9.128 ( 3.635 1.218 4.530) 5.934 9.186 ( 2.189 -3.010 2.281) 4.366 9.363 ( -6.569 0.899 0.273) 6.636 9.366 ( -3.995 0.867 -1.305) 4.291 9.435 ( -2.813 -0.270 -0.744) 2.923 9.481 ( -1.892 -3.610 -4.181) 5.839 9.697 ( 0.436 2.721 0.691) 2.841 9.728 ( -0.956 0.069 -0.682) 1.176 10.003 ( -2.351 2.896 3.770) 5.304 10.072 ( -3.110 -3.693 0.634) 4.869 10.252 ( 1.884 1.505 3.196) 4.003 10.290 ( 0.402 -1.569 5.642) 5.870 10.312 ( 5.509 2.416 0.084) 6.016 10.367 ( 5.536 -1.828 -0.357) 5.841 10.511 ( 5.059 2.277 3.332) 6.472 10.547 ( 5.101 -1.014 4.257) 6.721 10.660 ( -0.672 6.907 -0.237) 6.944 10.744 ( 0.502 -0.553 1.411) 1.596 10.935 ( 3.353 1.343 4.519) 5.785 10.996 ( -1.050 -4.127 5.957) 7.322 11.045 ( 1.875 2.934 0.080) 3.483 11.144 ( -1.599 -6.259 -4.107) 7.655 11.364 ( -2.648 -0.726 0.865) 2.879 11.380 ( -0.137 -2.526 -0.709) 2.627 11.549 ( -6.194 3.481 -4.019) 8.163 11.651 ( -0.150 -6.956 -12.441) 14.255 12.240 ( -2.688 0.765 -3.258) 4.292 12.264 ( -5.084 -1.611 -2.978) 6.108 12.437 ( -3.509 2.489 -0.495) 4.331 12.487 ( -4.212 -2.183 -3.188) 5.716 14.047 ( 7.563 2.578 -0.931) 8.044 14.100 ( 7.512 -2.473 0.168) 7.910 14.123 ( -0.870 4.533 0.595) 4.654 14.208 ( -2.492 -3.575 0.389) 4.376 14.376 ( 6.480 2.377 -0.459) 6.918 14.419 ( 5.466 -1.886 -1.961) 6.105 14.609 ( 2.630 1.917 2.334) 4.005 14.646 ( 3.196 -1.521 -0.014) 3.540 14.877 ( 3.682 3.967 3.152) 6.263 14.920 ( 5.883 0.563 0.475) 5.929 15.107 ( 2.375 2.152 -0.068) 3.206 15.150 ( 2.871 -1.189 -2.418) 3.937 15.351 ( 2.775 1.521 3.876) 5.003 15.413 ( 0.460 -4.126 5.154) 6.618 15.484 ( 1.996 0.053 -3.868) 4.353 15.524 ( 7.126 -3.079 -1.410) 7.890 15.860 ( 0.116 1.686 4.962) 5.242 15.883 ( -1.874 -0.712 4.196) 4.650 16.028 ( 0.085 2.368 -4.003) 4.652 16.071 ( -0.127 -2.034 -4.138) 4.612 18.373 ( -4.491 1.602 0.266) 4.776 18.402 ( -5.280 -0.410 -0.421) 5.313 18.467 ( -3.896 -0.306 0.575) 3.950 18.511 ( -5.264 -4.051 -0.464) 6.658 24.779 ( 2.155 6.059 3.751) 7.445 24.897 ( 0.931 5.331 -2.104) 5.807 24.922 ( 2.117 -6.603 5.253) 8.699 25.063 ( 3.278 -9.807 -3.900) 11.051 26.528 ( -0.560 2.620 2.022) 3.356 26.577 ( -0.877 -0.960 -0.028) 1.301 26.608 ( -0.406 -0.478 -0.538) 0.826 26.642 ( -0.488 -2.398 -1.842) 3.063 28.057 ( 2.030 7.223 2.413) 7.881 28.127 ( -1.089 4.213 2.483) 5.010 28.159 ( -1.521 5.110 -0.570) 5.361 28.258 ( 1.336 -0.540 -6.048) 6.218 28.375 ( 8.577 12.321 5.910) 16.134 28.654 ( 9.909 -12.876 1.681) 16.334 28.716 ( -6.296 3.116 -2.057) 7.319 28.856 ( -7.155 -8.095 3.575) 11.380 28.897 ( 0.493 -0.111 -0.437) 0.668 28.916 ( -1.258 -3.294 -2.637) 4.403 29.334 ( -3.076 0.024 -3.676) 4.793 29.354 ( -4.364 -2.524 -3.536) 6.158 29.750 ( 10.504 1.978 0.084) 10.689 29.771 ( 9.354 -0.092 1.594) 9.489 30.055 ( -8.205 2.749 2.000) 8.881 30.088 ( -5.985 -0.923 0.105) 6.057 30.370 ( 0.907 7.684 0.294) 7.743 30.423 ( -1.577 7.079 -1.747) 7.460 30.559 ( -4.454 -7.641 0.849) 8.885 30.606 ( -4.500 -7.907 -2.834) 9.530 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -3.996 2.851 -1.027) 5.015 2.085 ( -7.994 -6.607 -3.074) 10.817 2.152 ( 6.193 9.873 -0.669) 11.674 2.362 ( 15.574 -9.703 -4.430) 18.876 2.473 ( 2.542 4.321 10.161) 11.330 2.538 ( -5.434 -3.000 9.747) 11.555 2.598 ( -16.922 10.202 -8.286) 21.426 2.802 ( -6.126 -7.267 -11.602) 14.998 2.950 ( -5.083 4.434 8.070) 10.518 2.993 ( 2.901 4.937 1.443) 5.905 3.056 ( -2.885 -3.245 7.979) 9.084 3.102 ( 0.807 -4.817 0.191) 4.888 3.223 ( 5.852 -1.863 7.423) 9.634 3.291 ( 6.801 -5.150 7.194) 11.159 3.417 ( 9.218 3.377 -7.902) 12.602 3.509 ( 9.153 -7.113 -8.279) 14.245 3.648 ( 1.161 2.844 6.689) 7.361 3.715 ( 6.187 -1.909 5.933) 8.782 3.829 ( 1.819 -1.521 -10.189) 10.461 3.855 ( 6.259 0.021 -11.631) 13.208 3.918 ( -3.829 1.519 -0.186) 4.124 3.992 ( 1.974 -2.767 -6.597) 7.421 4.052 ( 2.663 -1.378 4.472) 5.384 4.073 ( 0.713 -2.139 0.292) 2.273 4.365 ( 2.261 0.303 4.140) 4.727 4.368 ( -4.403 -0.576 3.186) 5.465 4.498 ( -5.504 7.218 1.435) 9.189 4.552 ( 0.210 2.382 -1.369) 2.756 4.596 ( 1.423 4.037 -9.173) 10.123 4.658 ( 0.851 -1.548 -7.747) 7.945 4.738 ( -7.005 8.130 3.148) 11.183 4.837 ( -5.151 6.399 3.627) 8.979 4.872 ( 3.385 4.649 0.679) 5.791 4.957 ( -2.244 6.501 -3.641) 7.781 5.100 ( -4.267 -6.469 4.691) 9.059 5.196 ( -3.887 0.069 3.895) 5.503 5.210 ( -3.952 -7.396 1.483) 8.515 5.262 ( -3.074 -5.526 -1.736) 6.558 5.350 ( -6.016 -1.858 2.582) 6.805 5.430 ( -0.129 -2.722 -1.455) 3.089 5.516 ( -6.063 8.235 -2.962) 10.646 5.544 ( -7.506 3.625 3.790) 9.157 5.641 ( -1.950 -2.661 -0.909) 3.421 5.669 ( 0.128 2.819 -1.577) 3.233 5.717 ( 0.459 -0.419 0.741) 0.967 5.742 ( -11.037 -5.548 3.713) 12.899 5.879 ( 3.787 -1.665 0.167) 4.141 5.914 ( -0.851 -1.836 1.888) 2.768 6.014 ( -3.227 3.567 4.870) 6.845 6.052 ( 1.939 -0.186 4.469) 4.875 6.243 ( -4.056 6.426 2.142) 7.895 6.273 ( 1.064 3.431 7.977) 8.748 6.317 ( -3.039 0.534 2.576) 4.020 6.356 ( 0.920 -4.037 -4.598) 6.188 6.501 ( -5.283 0.705 -1.684) 5.589 6.532 ( 4.997 -4.452 1.862) 6.947 6.666 ( -1.121 5.084 -2.367) 5.719 6.737 ( 6.145 1.582 -7.411) 9.756 6.739 ( 4.037 3.062 -4.218) 6.593 6.830 ( 7.402 -6.115 -2.151) 9.840 6.844 ( -5.949 2.601 0.235) 6.497 6.933 ( 1.593 -3.713 -2.943) 4.998 6.981 ( 4.045 3.565 -3.563) 6.463 7.061 ( 6.805 -2.483 -3.217) 7.926 7.125 ( 3.792 6.898 3.398) 8.574 7.156 ( 0.181 3.815 -2.833) 4.755 7.210 ( 1.904 -1.228 1.747) 2.861 7.253 ( 1.356 -1.291 -0.955) 2.102 7.312 ( -1.521 -1.710 2.978) 3.756 7.378 ( -10.601 -2.858 1.299) 11.056 7.444 ( -0.577 0.196 -2.830) 2.895 7.502 ( 3.557 -0.192 -0.029) 3.562 7.560 ( 3.868 -0.121 -4.138) 5.665 7.591 ( -5.312 -4.180 -1.357) 6.894 7.636 ( 9.041 -3.255 -0.530) 9.624 7.685 ( 7.938 -4.694 2.159) 9.471 7.753 ( -5.647 0.734 4.711) 7.390 7.816 ( -0.067 -3.736 4.838) 6.113 7.875 ( 1.319 1.200 -2.823) 3.339 7.893 ( 1.660 -1.062 -2.472) 3.161 7.911 ( -0.220 1.052 5.095) 5.207 7.974 ( -1.047 -4.336 1.763) 4.796 8.026 ( 4.565 2.024 -6.598) 8.274 8.078 ( 4.950 -3.142 -5.763) 8.221 8.263 ( -0.537 5.608 0.998) 5.722 8.316 ( 0.677 0.816 -0.216) 1.082 8.401 ( 2.244 2.026 0.647) 3.092 8.411 ( 1.501 1.529 -3.359) 3.984 8.547 ( -4.036 2.788 -0.215) 4.909 8.589 ( 2.275 0.630 -1.174) 2.636 8.619 ( -0.688 -1.839 -2.987) 3.575 8.626 ( 2.669 0.615 1.112) 2.956 8.742 ( -1.673 0.915 2.049) 2.799 8.754 ( -1.609 0.109 3.543) 3.893 8.875 ( 5.171 0.486 5.238) 7.376 8.907 ( -1.030 -0.431 2.915) 3.121 8.983 ( 4.231 2.007 -6.453) 7.973 9.019 ( 5.318 -1.719 -1.143) 5.705 9.182 ( -1.733 -2.513 0.625) 3.116 9.191 ( -3.478 -2.560 1.258) 4.498 9.283 ( -1.059 4.258 4.623) 6.373 9.352 ( 3.577 -1.912 2.089) 4.563 9.415 ( 0.300 0.630 0.973) 1.197 9.460 ( 2.095 -2.824 -3.234) 4.778 9.719 ( 0.645 2.311 -1.245) 2.704 9.725 ( 2.030 1.764 -0.074) 2.690 10.014 ( -0.420 0.705 5.490) 5.551 10.039 ( -0.406 -1.915 1.315) 2.358 10.266 ( -2.643 0.117 2.433) 3.594 10.274 ( -3.846 -0.630 1.242) 4.090 10.354 ( -2.721 2.715 -0.049) 3.844 10.389 ( -2.045 -0.558 -2.238) 3.082 10.576 ( -0.309 3.783 4.024) 5.532 10.587 ( -3.836 6.206 -3.893) 8.269 10.665 ( -0.268 -3.774 7.883) 8.744 10.695 ( -3.369 -1.943 -2.889) 4.845 10.967 ( -1.862 0.827 4.248) 4.711 11.013 ( 1.928 -1.977 0.800) 2.875 11.066 ( 0.017 0.710 0.065) 0.713 11.135 ( 1.897 -3.900 -4.410) 6.185 11.398 ( -0.570 2.045 -0.324) 2.147 11.418 ( 2.353 -0.120 3.746) 4.425 11.478 ( 4.628 -1.147 -0.277) 4.776 11.549 ( 0.270 -6.872 -10.546) 12.590 12.212 ( 1.842 0.741 -1.155) 2.297 12.244 ( 3.960 -2.331 -0.724) 4.652 12.452 ( 5.493 1.357 -0.992) 5.744 12.475 ( 5.281 -0.804 -2.907) 6.082 14.034 ( -6.986 3.238 0.367) 7.708 14.099 ( -8.170 -3.343 -0.219) 8.830 14.141 ( 1.995 4.307 -0.596) 4.784 14.204 ( 1.631 -2.047 0.716) 2.714 14.391 ( -6.349 0.983 -0.962) 6.496 14.409 ( -4.733 -0.659 -1.941) 5.158 14.608 ( -4.863 1.628 2.249) 5.599 14.641 ( -2.888 -1.503 0.653) 3.321 14.886 ( -4.335 4.115 2.812) 6.606 14.923 ( -5.298 0.836 -0.639) 5.402 15.112 ( -2.604 2.592 0.359) 3.692 15.150 ( -0.671 -0.950 -3.157) 3.365 15.318 ( -4.732 -1.292 5.924) 7.691 15.356 ( -9.979 -4.269 5.459) 12.149 15.526 ( 3.117 2.529 -4.996) 6.408 15.613 ( 2.414 -5.764 -7.506) 9.767 15.888 ( 0.368 2.398 4.667) 5.260 15.920 ( 2.054 -0.770 4.755) 5.236 16.011 ( 0.351 1.380 -2.776) 3.120 16.030 ( -0.705 -0.527 -5.057) 5.133 18.367 ( 3.629 1.920 0.634) 4.154 18.406 ( 5.757 -0.940 -0.684) 5.873 18.474 ( 3.833 -1.211 0.078) 4.020 18.507 ( 5.994 -3.298 -0.356) 6.850 24.831 ( 0.246 6.054 3.790) 7.146 24.859 ( -2.324 7.504 -4.005) 8.818 24.969 ( -1.365 -7.795 5.335) 9.544 25.047 ( -1.592 -11.699 -6.130) 13.303 26.536 ( -0.341 2.226 2.333) 3.243 26.568 ( 0.392 0.754 -0.694) 1.098 26.600 ( -0.606 -1.469 0.965) 1.859 26.631 ( 0.599 -2.849 -1.229) 3.160 28.081 ( -2.601 7.000 0.269) 7.472 28.115 ( 1.297 7.844 2.384) 8.300 28.140 ( -2.293 4.146 3.277) 5.761 28.235 ( 0.090 -2.454 -4.783) 5.377 28.490 ( -8.870 2.324 -4.480) 10.205 28.609 ( 3.532 1.289 5.755) 6.874 28.688 ( -1.659 2.184 0.076) 2.744 28.888 ( 2.854 -4.152 0.751) 5.094 28.912 ( 0.191 -0.954 -1.758) 2.009 28.945 ( 9.391 -6.515 -4.424) 12.256 29.281 ( -0.613 -1.145 1.002) 1.641 29.305 ( 2.118 -3.871 0.482) 4.438 29.713 ( -13.511 3.076 3.127) 14.206 29.751 ( -12.105 -1.105 3.245) 12.582 30.093 ( 8.002 1.203 -0.490) 8.107 30.100 ( 7.479 0.792 -1.518) 7.672 30.368 ( 0.677 8.113 0.328) 8.148 30.418 ( 0.753 6.877 -1.270) 7.034 30.541 ( 2.616 -6.940 1.563) 7.580 30.613 ( 6.011 -8.975 -2.608) 11.112 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -15.933 8.831 1.116) 18.251 1.960 ( -1.233 -4.911 -3.029) 5.900 2.096 ( -6.753 15.410 6.734) 18.123 2.315 ( -6.536 14.256 0.303) 15.686 2.455 ( -4.420 -13.104 8.267) 16.112 2.544 ( 6.416 -4.608 -8.531) 11.627 2.635 ( 6.197 -5.807 -0.697) 8.521 2.708 ( 1.720 -11.550 -1.767) 11.811 2.937 ( 0.499 0.002 3.467) 3.503 2.982 ( -4.581 -3.030 4.330) 6.994 3.119 ( 0.131 1.343 -1.978) 2.395 3.146 ( 3.377 -0.824 -7.206) 8.001 3.338 ( 7.088 3.833 2.245) 8.365 3.400 ( 5.728 -2.627 0.663) 6.337 3.549 ( 0.279 5.939 2.992) 6.656 3.614 ( -2.074 0.356 -3.835) 4.375 3.742 ( 6.992 4.451 -1.259) 8.383 3.804 ( 5.585 2.462 -1.799) 6.363 3.838 ( 2.679 1.621 -7.812) 8.416 3.879 ( 2.473 -7.435 5.167) 9.386 3.966 ( 1.180 2.080 0.625) 2.471 4.058 ( 0.319 1.661 0.458) 1.752 4.093 ( 5.788 -0.217 2.041) 6.141 4.140 ( 10.542 -1.956 -5.120) 11.882 4.289 ( -1.245 4.330 -2.033) 4.943 4.382 ( -0.289 -4.136 -0.102) 4.147 4.437 ( -3.389 6.932 -0.695) 7.747 4.566 ( 1.326 5.038 7.037) 8.755 4.591 ( 1.611 -0.675 4.025) 4.388 4.620 ( -1.271 -1.210 -0.964) 2.002 4.701 ( -0.108 2.523 -0.256) 2.538 4.812 ( -1.672 3.940 5.470) 6.945 4.856 ( -5.990 1.830 3.797) 7.324 4.932 ( 0.808 0.410 -0.399) 0.990 5.000 ( -8.696 -3.457 -1.308) 9.449 5.079 ( -6.414 2.770 1.154) 7.081 5.099 ( -11.311 -2.309 0.806) 11.572 5.128 ( -9.057 -13.133 2.523) 16.152 5.224 ( -7.377 0.037 -4.714) 8.755 5.264 ( -5.854 1.281 4.562) 7.531 5.424 ( -2.056 1.745 -6.796) 7.312 5.443 ( -7.442 -3.578 -1.708) 8.432 5.496 ( -3.986 -2.284 6.629) 8.065 5.655 ( 0.151 -8.506 0.390) 8.517 5.685 ( -1.047 2.601 3.090) 4.172 5.747 ( -1.569 1.448 5.145) 5.570 5.814 ( -6.093 5.133 -2.462) 8.339 5.958 ( -2.290 -4.816 4.005) 6.669 6.039 ( -3.660 3.682 9.419) 10.755 6.086 ( -2.611 5.389 0.163) 5.991 6.133 ( -2.429 0.801 0.710) 2.654 6.263 ( 2.625 2.973 -5.203) 6.542 6.322 ( -0.595 -3.608 1.517) 3.959 6.398 ( 4.406 -3.806 -10.939) 12.392 6.521 ( -1.171 6.311 -3.334) 7.233 6.545 ( 3.106 -1.119 1.904) 3.811 6.668 ( 1.692 2.329 -1.921) 3.461 6.692 ( -4.752 2.479 -5.822) 7.914 6.722 ( 1.989 -3.021 -3.204) 4.833 6.825 ( -6.553 -7.157 -1.657) 9.844 6.878 ( 0.982 1.539 1.334) 2.261 6.936 ( 8.319 -1.175 -1.647) 8.562 7.044 ( 1.568 -0.111 -2.057) 2.589 7.065 ( 9.256 -0.714 -9.838) 13.527 7.168 ( -4.784 0.827 -1.358) 5.041 7.200 ( 4.098 1.972 -2.469) 5.175 7.235 ( -5.051 4.863 1.655) 7.204 7.266 ( 1.989 -1.096 0.349) 2.298 7.298 ( 3.321 1.220 -0.317) 3.552 7.348 ( -2.677 -3.735 -0.353) 4.609 7.352 ( -3.608 -1.520 -4.608) 6.047 7.468 ( -0.772 -4.702 -3.620) 5.984 7.564 ( -0.131 1.637 -1.035) 1.941 7.604 ( 0.482 0.370 2.012) 2.102 7.697 ( -0.472 1.839 4.752) 5.117 7.735 ( 1.197 -3.265 2.722) 4.416 7.820 ( 2.028 -1.141 -0.144) 2.332 7.833 ( 0.276 -1.191 3.533) 3.739 7.904 ( 1.093 0.986 -2.171) 2.622 7.924 ( 3.947 -1.302 2.298) 4.750 8.036 ( 3.327 1.374 -1.250) 3.811 8.074 ( 8.110 -0.216 2.074) 8.373 8.162 ( 7.217 -2.003 0.524) 7.508 8.174 ( 11.412 -1.244 5.099) 12.561 8.267 ( 0.909 6.698 -2.910) 7.360 8.333 ( 0.869 0.415 0.039) 0.964 8.374 ( 0.023 5.626 -3.662) 6.713 8.467 ( -3.474 -0.888 3.711) 5.161 8.499 ( 5.523 4.519 -0.998) 7.205 8.568 ( -1.059 -1.975 -1.179) 2.532 8.626 ( 0.884 -0.210 0.228) 0.936 8.693 ( 5.249 -6.152 -0.252) 8.091 8.751 ( 1.514 5.603 3.282) 6.667 8.819 ( 2.938 0.500 4.489) 5.388 8.890 ( -2.464 3.670 -0.392) 4.438 8.969 ( 1.443 -3.016 -3.047) 4.524 9.031 ( -1.840 2.822 2.475) 4.180 9.096 ( 6.955 6.402 -2.975) 9.910 9.127 ( -1.770 -4.639 2.000) 5.353 9.253 ( 8.375 -8.887 -1.153) 12.266 9.372 ( 6.560 5.916 7.058) 11.307 9.445 ( 2.821 1.923 0.915) 3.535 9.493 ( 5.729 -5.836 6.767) 10.615 9.513 ( 5.219 -4.224 -1.654) 6.915 9.749 ( 4.333 2.260 -0.883) 4.966 9.782 ( 4.718 -0.536 -0.142) 4.750 10.038 ( -0.015 1.300 4.382) 4.571 10.069 ( -1.815 -1.716 6.510) 6.973 10.191 ( -4.230 0.926 -0.220) 4.335 10.210 ( -2.748 -1.097 -0.939) 3.104 10.271 ( -2.679 2.986 1.109) 4.162 10.329 ( -0.554 -1.710 -1.320) 2.230 10.455 ( -6.125 1.541 -7.206) 9.582 10.478 ( -6.229 0.025 -7.352) 9.636 10.656 ( 0.406 1.789 2.432) 3.046 10.691 ( -2.283 -0.569 3.355) 4.097 10.925 ( -6.082 3.736 -0.181) 7.140 10.970 ( -1.118 7.083 -4.729) 8.589 11.070 ( -3.525 -6.609 -2.548) 7.911 11.175 ( 3.103 -8.839 -1.927) 9.564 11.349 ( -0.258 3.162 0.626) 3.233 11.423 ( 3.209 -4.271 -1.062) 5.447 11.622 ( 8.873 3.050 5.008) 10.636 11.700 ( 10.543 -4.085 2.030) 11.487 12.311 ( 7.942 1.119 0.594) 8.043 12.355 ( 6.846 -3.159 1.343) 7.658 12.606 ( 11.259 2.943 -2.227) 11.848 12.645 ( 12.618 -0.975 -0.771) 12.679 13.848 ( -13.199 1.403 -0.989) 13.310 13.888 ( -14.258 -2.745 -0.787) 14.541 14.084 ( -9.467 5.095 1.073) 10.805 14.150 ( -12.855 -1.517 0.921) 12.977 14.177 ( -11.396 2.642 0.832) 11.728 14.225 ( -8.981 -1.549 -0.197) 9.116 14.468 ( -11.488 3.549 1.132) 12.077 14.551 ( -8.303 -4.482 -0.420) 9.445 14.755 ( -8.491 1.133 0.532) 8.583 14.765 ( -9.257 -0.004 0.265) 9.260 14.891 ( -17.641 3.657 -2.452) 18.182 14.978 ( -19.997 -5.707 -4.729) 21.326 15.235 ( 0.419 4.631 3.264) 5.682 15.341 ( 2.038 -5.982 5.824) 8.594 15.533 ( 1.867 4.045 -5.875) 7.373 15.617 ( 3.883 -4.749 -5.110) 7.984 15.901 ( -1.224 2.429 0.007) 2.720 15.948 ( -1.630 -1.939 -1.411) 2.899 16.008 ( 2.367 1.279 0.868) 2.827 16.037 ( 2.157 -1.429 -0.002) 2.588 18.520 ( 10.852 1.535 0.532) 10.973 18.559 ( 10.228 -2.536 -0.024) 10.538 18.632 ( 11.172 1.516 -0.647) 11.293 18.671 ( 10.074 -2.395 -0.151) 10.356 24.772 ( -3.578 6.259 -3.443) 7.989 24.832 ( -2.219 4.814 2.288) 5.773 24.929 ( -5.512 -9.562 -5.245) 12.220 24.942 ( -4.411 -6.558 1.960) 8.143 26.543 ( -0.039 2.066 1.479) 2.541 26.585 ( 1.086 0.183 0.814) 1.370 26.599 ( -0.159 -0.527 1.124) 1.251 26.644 ( 1.052 -2.947 -0.098) 3.130 28.026 ( -2.700 6.944 -0.398) 7.461 28.105 ( -3.691 6.726 3.059) 8.260 28.141 ( -1.390 1.985 0.096) 2.426 28.191 ( -1.492 0.404 -0.628) 1.669 28.341 ( -3.554 2.355 -3.055) 5.245 28.482 ( -6.190 -8.051 -0.826) 10.189 28.847 ( 2.242 3.606 -1.773) 4.601 28.879 ( -1.396 -0.716 -2.831) 3.237 28.926 ( 5.750 4.302 0.932) 7.241 29.053 ( 3.211 -5.588 -3.602) 7.383 29.354 ( 3.212 0.494 4.801) 5.797 29.387 ( 1.707 -1.894 -1.374) 2.896 29.512 ( -6.857 2.924 5.244) 9.114 29.609 ( 1.107 -7.565 4.649) 8.949 30.141 ( -2.494 0.798 0.466) 2.660 30.146 ( -1.178 0.426 0.005) 1.253 30.365 ( -4.953 3.126 -0.055) 5.857 30.393 ( -0.015 1.466 -4.048) 4.305 30.732 ( 13.980 1.921 4.405) 14.783 30.828 ( 16.634 -6.123 -1.234) 17.768 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -11.433 18.728 7.694) 23.252 1.848 ( -4.518 -4.909 -6.206) 9.111 2.083 ( -6.709 25.639 20.466) 33.485 2.288 ( -0.624 -3.229 5.158) 6.117 2.466 ( -1.508 -16.231 -4.237) 16.842 2.593 ( -7.327 -13.371 -0.294) 15.249 2.653 ( 13.009 -1.942 3.386) 13.582 2.810 ( 9.013 -7.790 -3.987) 12.562 2.935 ( 4.633 9.309 -7.590) 12.873 3.015 ( 1.293 0.789 -3.135) 3.482 3.081 ( 0.070 -2.869 0.865) 2.998 3.167 ( 2.349 -7.002 -1.333) 7.504 3.396 ( -4.437 15.474 1.801) 16.198 3.470 ( 2.341 10.866 3.466) 11.644 3.509 ( -3.684 2.705 0.697) 4.623 3.620 ( 1.192 -3.585 9.322) 10.058 3.701 ( -0.081 8.375 -1.603) 8.528 3.781 ( -0.800 8.264 -2.170) 8.581 3.921 ( -4.787 -1.833 -2.488) 5.698 3.936 ( -4.198 0.193 -5.515) 6.934 4.029 ( 1.974 -0.451 4.472) 4.909 4.081 ( 4.657 3.567 -4.419) 7.344 4.173 ( 6.946 -3.073 -1.336) 7.712 4.207 ( 3.820 -1.581 4.013) 5.762 4.347 ( 4.340 -5.238 -3.045) 7.453 4.378 ( 1.072 0.548 -3.699) 3.890 4.430 ( -4.753 -2.281 2.960) 6.046 4.516 ( -7.977 0.520 -3.393) 8.684 4.593 ( -4.768 0.186 -1.951) 5.156 4.647 ( -6.626 -9.269 6.628) 13.181 4.682 ( 1.995 -0.078 6.528) 6.827 4.738 ( -2.591 -14.703 7.184) 16.568 4.831 ( -5.558 0.929 -1.154) 5.753 4.844 ( -3.703 0.679 1.233) 3.962 4.932 ( -1.730 4.674 6.308) 8.040 4.995 ( 2.505 2.931 4.300) 5.776 5.012 ( 2.135 3.428 0.061) 4.039 5.116 ( 4.911 3.621 2.657) 6.655 5.130 ( -0.420 -1.843 -5.144) 5.481 5.273 ( 1.346 -1.831 6.771) 7.142 5.336 ( -1.573 4.251 -7.559) 8.814 5.374 ( 0.714 -0.422 0.922) 1.240 5.492 ( 0.716 1.810 0.821) 2.112 5.578 ( -8.503 -0.257 -1.356) 8.614 5.640 ( -3.629 -6.168 -4.773) 8.603 5.690 ( 0.472 -7.857 -5.181) 9.423 5.787 ( -0.706 9.696 6.025) 11.437 5.904 ( -4.516 0.336 3.429) 5.680 5.976 ( -5.586 10.249 4.668) 12.571 6.061 ( 3.460 1.514 -10.644) 11.294 6.155 ( 0.863 -10.551 3.020) 11.009 6.262 ( 0.772 0.075 -9.524) 9.556 6.269 ( -3.358 -11.936 -4.612) 13.229 6.352 ( -1.911 0.914 -9.415) 9.651 6.394 ( -4.231 0.090 -11.087) 11.867 6.554 ( -5.193 -6.051 -2.337) 8.309 6.602 ( -5.233 -2.833 1.152) 6.062 6.623 ( 0.207 -2.435 3.465) 4.240 6.727 ( 2.742 0.715 0.363) 2.857 6.764 ( 0.899 -4.611 -0.074) 4.698 6.977 ( 0.402 4.570 2.553) 5.250 7.021 ( -4.795 3.266 -4.271) 7.204 7.074 ( 1.009 1.793 2.076) 2.923 7.110 ( 6.237 2.463 0.060) 6.706 7.166 ( 5.427 -1.036 -2.675) 6.139 7.207 ( 2.036 0.751 1.268) 2.513 7.249 ( -1.231 0.810 -0.359) 1.517 7.274 ( -0.198 -2.396 -1.495) 2.831 7.296 ( -3.321 -0.358 -3.518) 4.851 7.309 ( 4.491 -4.053 3.422) 6.950 7.367 ( 4.364 1.752 0.779) 4.767 7.412 ( 1.235 -1.375 -1.686) 2.502 7.524 ( -0.921 6.059 -0.213) 6.133 7.626 ( 0.061 -0.693 0.796) 1.057 7.738 ( -0.698 -1.196 5.896) 6.056 7.774 ( 0.109 -1.919 4.819) 5.188 7.849 ( -0.335 0.475 2.612) 2.675 7.880 ( -0.019 -1.207 1.270) 1.752 7.913 ( 1.589 4.332 1.366) 4.813 7.983 ( 2.557 -0.786 -1.359) 3.000 8.081 ( 2.173 2.552 0.675) 3.419 8.153 ( 2.847 -3.246 -4.293) 6.089 8.222 ( -0.411 3.819 -5.446) 6.664 8.239 ( 0.429 2.125 -6.374) 6.733 8.293 ( -4.802 4.407 0.585) 6.544 8.347 ( -1.809 -0.199 2.973) 3.486 8.377 ( 1.548 3.772 3.365) 5.287 8.432 ( -0.099 -2.132 1.161) 2.430 8.579 ( 0.737 5.861 1.872) 6.197 8.651 ( 4.492 1.317 1.040) 4.796 8.729 ( 6.209 -0.713 6.868) 9.286 8.776 ( 1.376 6.708 -0.198) 6.850 8.801 ( 3.781 -3.392 0.772) 5.138 8.833 ( 0.470 4.540 1.362) 4.763 8.894 ( 1.027 -3.558 0.066) 3.704 8.948 ( 1.480 -3.863 0.789) 4.211 9.079 ( 3.007 -0.007 2.448) 3.877 9.133 ( 1.808 -5.083 4.481) 7.013 9.179 ( 3.019 11.229 -2.465) 11.886 9.372 ( 3.974 -7.123 -1.688) 8.330 9.487 ( 2.533 -0.823 3.905) 4.727 9.537 ( 3.517 -2.542 -0.225) 4.345 9.603 ( 3.541 -2.611 1.550) 4.665 9.618 ( 2.151 -3.485 2.700) 4.906 9.882 ( 7.127 1.849 0.421) 7.375 9.908 ( 6.360 -1.117 0.999) 6.534 10.037 ( -4.113 1.248 5.814) 7.230 10.060 ( -2.003 -1.195 6.339) 6.754 10.139 ( -0.610 3.541 0.545) 3.634 10.176 ( -0.475 1.710 -1.709) 2.464 10.258 ( -5.587 -0.921 -5.476) 7.877 10.307 ( -5.260 -3.539 -5.759) 8.564 10.332 ( 3.435 4.815 -2.517) 6.428 10.431 ( 7.534 -4.728 -0.929) 8.943 10.675 ( 3.022 2.538 -5.584) 6.837 10.716 ( 4.477 -1.055 -3.401) 5.721 10.817 ( 2.561 2.860 -3.829) 5.422 10.916 ( -1.370 -3.782 -3.848) 5.567 10.973 ( -1.536 5.281 -1.973) 5.843 11.144 ( -3.449 -9.492 0.887) 10.138 11.463 ( 6.237 2.976 4.414) 8.200 11.538 ( 6.566 -4.816 0.426) 8.154 11.818 ( 7.886 4.172 4.333) 9.917 11.891 ( 7.962 -2.698 1.009) 8.467 12.483 ( 8.459 0.371 1.491) 8.597 12.505 ( 7.000 -1.655 2.732) 7.694 12.830 ( 12.789 4.482 -1.506) 13.635 12.890 ( 12.335 -1.615 -1.137) 12.493 13.514 ( -18.138 0.994 -0.673) 18.177 13.539 ( -20.085 -1.573 0.711) 20.159 13.760 ( -26.159 5.030 0.946) 26.655 13.843 ( -22.966 -2.783 -1.130) 23.161 14.007 ( -5.599 -0.466 -0.453) 5.637 14.023 ( -11.926 -2.712 0.187) 12.232 14.170 ( -15.801 2.853 -0.085) 16.057 14.228 ( -16.946 -2.609 -0.115) 17.146 14.621 ( -5.363 1.205 -1.688) 5.750 14.634 ( -4.663 1.141 1.079) 4.921 14.644 ( -5.054 -0.549 -3.625) 6.244 14.664 ( -5.657 -1.358 0.491) 5.838 15.299 ( 1.844 6.721 4.397) 8.240 15.426 ( 2.012 -5.906 5.318) 8.199 15.519 ( 0.479 6.487 -6.505) 9.200 15.633 ( 1.250 -5.269 -6.221) 8.248 15.884 ( -0.020 2.119 0.964) 2.328 15.923 ( -0.494 -1.355 0.490) 1.524 16.050 ( 1.242 -0.009 0.485) 1.333 16.075 ( 2.082 -2.001 -1.643) 3.322 18.726 ( 8.724 1.310 0.937) 8.871 18.756 ( 8.464 -1.719 0.476) 8.650 18.828 ( 8.915 1.357 -1.105) 9.085 18.852 ( 8.124 -1.151 -0.667) 8.232 24.702 ( -1.520 3.882 -1.256) 4.354 24.785 ( -3.390 3.512 0.407) 4.898 24.793 ( -4.270 -5.607 -2.698) 7.547 24.859 ( -4.945 -3.987 0.523) 6.374 26.558 ( 0.217 2.107 2.025) 2.930 26.605 ( -0.208 -1.229 1.668) 2.082 26.612 ( 1.093 0.918 0.438) 1.493 26.661 ( 0.752 -2.767 -0.358) 2.890 27.978 ( -1.819 6.450 -0.476) 6.719 28.027 ( -4.287 7.112 -0.774) 8.340 28.105 ( -1.020 -3.830 0.617) 4.011 28.160 ( -3.215 -2.833 1.264) 4.468 28.308 ( 0.761 7.342 0.809) 7.425 28.416 ( -0.793 0.154 -1.702) 1.884 28.823 ( -0.458 0.134 -3.440) 3.472 28.849 ( -0.376 -0.890 -1.316) 1.633 28.979 ( -1.096 1.331 1.459) 2.259 29.036 ( -3.188 -4.705 -0.633) 5.719 29.324 ( -1.291 -0.071 -1.981) 2.366 29.350 ( -1.306 -3.339 -2.467) 4.352 29.685 ( 13.344 3.553 6.739) 15.366 29.795 ( 10.978 -7.249 1.741) 13.270 30.073 ( -4.266 1.486 0.720) 4.574 30.101 ( -2.991 -1.178 0.622) 3.274 30.243 ( -6.894 2.775 -0.976) 7.495 30.303 ( -5.997 -3.090 -3.224) 7.477 31.037 ( 11.999 4.542 5.730) 14.051 31.131 ( 13.558 -4.482 -0.626) 14.293 =================== 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 10.0 480.164 862.696 601.640 0.000 -3.287 0.000 3/31500 20.0 69.199 77.739 74.304 0.000 -4.569 0.000 3/31500 30.0 23.572 22.903 23.373 0.000 -2.087 0.000 3/31500 40.0 12.031 11.264 11.715 0.000 -1.072 0.000 3/31500 50.0 7.590 6.983 7.359 0.000 -0.636 0.000 3/31500 60.0 5.410 4.914 5.244 0.000 -0.418 0.000 3/31500 70.0 4.167 3.744 4.041 0.000 -0.297 0.000 3/31500 80.0 3.384 3.010 3.282 0.000 -0.223 0.000 3/31500 90.0 2.855 2.516 2.765 0.000 -0.175 0.000 3/31500 100.0 2.479 2.162 2.394 0.000 -0.143 0.000 3/31500 110.0 2.199 1.899 2.114 0.000 -0.120 0.000 3/31500 120.0 1.984 1.695 1.897 0.000 -0.103 0.000 3/31500 130.0 1.814 1.534 1.723 0.000 -0.090 0.000 3/31500 140.0 1.676 1.402 1.581 0.000 -0.080 0.000 3/31500 150.0 1.562 1.293 1.462 0.000 -0.071 0.000 3/31500 160.0 1.466 1.201 1.361 0.000 -0.065 0.000 3/31500 170.0 1.384 1.122 1.275 0.000 -0.059 0.000 3/31500 180.0 1.313 1.054 1.199 0.000 -0.055 0.000 3/31500 190.0 1.251 0.994 1.133 0.000 -0.051 0.000 3/31500 200.0 1.195 0.942 1.074 0.000 -0.047 0.000 3/31500 210.0 1.145 0.895 1.022 0.000 -0.045 0.000 3/31500 220.0 1.100 0.854 0.975 0.000 -0.042 0.000 3/31500 230.0 1.060 0.816 0.932 0.000 -0.040 0.000 3/31500 240.0 1.022 0.782 0.894 0.000 -0.038 0.000 3/31500 250.0 0.988 0.752 0.858 0.000 -0.036 0.000 3/31500 260.0 0.956 0.723 0.826 0.000 -0.034 0.000 3/31500 270.0 0.927 0.698 0.796 0.000 -0.033 0.000 3/31500 280.0 0.899 0.674 0.768 0.000 -0.032 0.000 3/31500 290.0 0.874 0.652 0.742 0.000 -0.030 0.000 3/31500 300.0 0.850 0.631 0.718 0.000 -0.029 0.000 3/31500 310.0 0.827 0.612 0.696 0.000 -0.028 0.000 3/31500 320.0 0.806 0.594 0.675 0.000 -0.027 0.000 3/31500 330.0 0.786 0.578 0.656 0.000 -0.026 0.000 3/31500 340.0 0.767 0.562 0.637 0.000 -0.026 0.000 3/31500 350.0 0.748 0.547 0.620 0.000 -0.025 0.000 3/31500 360.0 0.731 0.533 0.603 0.000 -0.024 0.000 3/31500 370.0 0.715 0.520 0.588 0.000 -0.024 0.000 3/31500 380.0 0.699 0.507 0.573 0.000 -0.023 0.000 3/31500 390.0 0.684 0.496 0.559 0.000 -0.022 0.000 3/31500 400.0 0.670 0.484 0.546 0.000 -0.022 0.000 3/31500 410.0 0.656 0.474 0.533 0.000 -0.021 0.000 3/31500 420.0 0.643 0.463 0.521 0.000 -0.021 0.000 3/31500 430.0 0.631 0.454 0.510 0.000 -0.020 0.000 3/31500 440.0 0.619 0.444 0.499 0.000 -0.020 0.000 3/31500 450.0 0.607 0.435 0.488 0.000 -0.019 0.000 3/31500 460.0 0.596 0.427 0.478 0.000 -0.019 0.000 3/31500 470.0 0.585 0.418 0.468 0.000 -0.019 0.000 3/31500 480.0 0.574 0.411 0.459 0.000 -0.018 0.000 3/31500 490.0 0.564 0.403 0.450 0.000 -0.018 0.000 3/31500 500.0 0.555 0.396 0.442 0.000 -0.018 0.000 3/31500 510.0 0.545 0.389 0.433 0.000 -0.017 0.000 3/31500 520.0 0.536 0.382 0.425 0.000 -0.017 0.000 3/31500 530.0 0.527 0.375 0.418 0.000 -0.017 0.000 3/31500 540.0 0.519 0.369 0.410 0.000 -0.016 0.000 3/31500 550.0 0.511 0.363 0.403 0.000 -0.016 0.000 3/31500 560.0 0.503 0.357 0.396 0.000 -0.016 0.000 3/31500 570.0 0.495 0.351 0.390 0.000 -0.016 0.000 3/31500 580.0 0.488 0.346 0.383 0.000 -0.015 0.000 3/31500 590.0 0.480 0.340 0.377 0.000 -0.015 0.000 3/31500 600.0 0.473 0.335 0.371 0.000 -0.015 0.000 3/31500 610.0 0.466 0.330 0.365 0.000 -0.015 0.000 3/31500 620.0 0.460 0.325 0.360 0.000 -0.014 0.000 3/31500 630.0 0.453 0.320 0.354 0.000 -0.014 0.000 3/31500 640.0 0.447 0.316 0.349 0.000 -0.014 0.000 3/31500 650.0 0.441 0.311 0.344 0.000 -0.014 0.000 3/31500 660.0 0.435 0.307 0.339 0.000 -0.014 0.000 3/31500 670.0 0.429 0.303 0.334 0.000 -0.013 0.000 3/31500 680.0 0.423 0.298 0.329 0.000 -0.013 0.000 3/31500 690.0 0.418 0.294 0.325 0.000 -0.013 0.000 3/31500 700.0 0.412 0.291 0.320 0.000 -0.013 0.000 3/31500 710.0 0.407 0.287 0.316 0.000 -0.013 0.000 3/31500 720.0 0.402 0.283 0.312 0.000 -0.013 0.000 3/31500 730.0 0.397 0.279 0.307 0.000 -0.012 0.000 3/31500 740.0 0.392 0.276 0.303 0.000 -0.012 0.000 3/31500 750.0 0.387 0.272 0.300 0.000 -0.012 0.000 3/31500 760.0 0.383 0.269 0.296 0.000 -0.012 0.000 3/31500 770.0 0.378 0.266 0.292 0.000 -0.012 0.000 3/31500 780.0 0.374 0.263 0.288 0.000 -0.012 0.000 3/31500 790.0 0.369 0.260 0.285 0.000 -0.011 0.000 3/31500 800.0 0.365 0.257 0.281 0.000 -0.011 0.000 3/31500 810.0 0.361 0.254 0.278 0.000 -0.011 0.000 3/31500 820.0 0.357 0.251 0.275 0.000 -0.011 0.000 3/31500 830.0 0.353 0.248 0.272 0.000 -0.011 0.000 3/31500 840.0 0.349 0.245 0.268 0.000 -0.011 0.000 3/31500 850.0 0.345 0.242 0.265 0.000 -0.011 0.000 3/31500 860.0 0.341 0.240 0.262 0.000 -0.011 0.000 3/31500 870.0 0.338 0.237 0.259 0.000 -0.010 0.000 3/31500 880.0 0.334 0.234 0.257 0.000 -0.010 0.000 3/31500 890.0 0.331 0.232 0.254 0.000 -0.010 0.000 3/31500 900.0 0.327 0.230 0.251 0.000 -0.010 0.000 3/31500 910.0 0.324 0.227 0.248 0.000 -0.010 0.000 3/31500 920.0 0.321 0.225 0.246 0.000 -0.010 0.000 3/31500 930.0 0.317 0.223 0.243 0.000 -0.010 0.000 3/31500 940.0 0.314 0.220 0.241 0.000 -0.010 0.000 3/31500 950.0 0.311 0.218 0.238 0.000 -0.010 0.000 3/31500 960.0 0.308 0.216 0.236 0.000 -0.010 0.000 3/31500 970.0 0.305 0.214 0.233 0.000 -0.009 0.000 3/31500 980.0 0.302 0.212 0.231 0.000 -0.009 0.000 3/31500 990.0 0.299 0.210 0.229 0.000 -0.009 0.000 3/31500 1000.0 0.296 0.208 0.227 0.000 -0.009 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:08:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|