----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:55:34]------------------------- Compiled with OpenMP support (max 32 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: [1 2 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 12.504022140165324 0.000000000000000 0.000000000000000 b 0.000000000000000 4.686136240000001 0.000000000000000 c -0.864960304581116 0.000000000000000 13.955610702259930 Atomic positions (fractional): *1 O 0.99894608283392 0.84367526812209 0.21281079252899 15.999 2 O 0.00105391716608 0.34367526812209 0.28718920747101 15.999 3 O 0.00105391716608 0.15632473187791 0.78718920747101 15.999 4 O 0.99894608283392 0.65632473187791 0.71281079252899 15.999 *5 O 0.96416648053706 0.26384409330382 0.08824214992581 15.999 6 O 0.03583351946295 0.76384409330382 0.41175785007419 15.999 7 O 0.03583351946295 0.73615590669618 0.91175785007419 15.999 8 O 0.96416648053706 0.23615590669618 0.58824214992581 15.999 *9 O 0.15534778699195 0.20595394452889 0.17166086671887 15.999 10 O 0.84465221300805 0.70595394452889 0.32833913328113 15.999 11 O 0.84465221300805 0.79404605547111 0.82833913328113 15.999 12 O 0.15534778699195 0.29404605547111 0.67166086671887 15.999 *13 O 0.28746531708393 0.26207457574512 0.33370614723941 15.999 14 O 0.71253468291607 0.76207457574512 0.16629385276059 15.999 15 O 0.71253468291607 0.73792542425488 0.66629385276059 15.999 16 O 0.28746531708393 0.23792542425488 0.83370614723941 15.999 *17 O 0.31799293837204 0.84614044515478 0.21068196760394 15.999 18 O 0.68200706162796 0.34614044515478 0.28931803239606 15.999 19 O 0.68200706162796 0.15385955484522 0.78931803239606 15.999 20 O 0.31799293837204 0.65385955484522 0.71068196760394 15.999 *21 O 0.47257337029468 0.75059632383787 0.58337665751031 15.999 22 O 0.52742662970532 0.25059632383787 0.91662334248969 15.999 23 O 0.52742662970532 0.24940367616213 0.41662334248969 15.999 24 O 0.47257337029468 0.74940367616213 0.08337665751031 15.999 *25 O 0.26567475344307 0.76912583242675 0.52075454968261 15.999 26 O 0.73432524655693 0.26912583242675 0.97924545031739 15.999 27 O 0.73432524655693 0.23087416757325 0.47924545031739 15.999 28 O 0.26567475344307 0.73087416757325 0.02075454968261 15.999 *29 O 0.35407717441052 0.15374699584866 0.64972479106390 15.999 30 O 0.64592282558948 0.65374699584866 0.85027520893610 15.999 31 O 0.64592282558948 0.84625300415134 0.35027520893610 15.999 32 O 0.35407717441052 0.34625300415134 0.14972479106390 15.999 *33 Si 0.02619928140480 0.17857147789909 0.18702750642486 28.085 34 Si 0.97380071859520 0.67857147789909 0.31297249357514 28.085 35 Si 0.97380071859520 0.82142852210091 0.81297249357514 28.085 36 Si 0.02619928140480 0.32142852210091 0.68702750642486 28.085 *37 Si 0.27690916671374 0.17788444807040 0.22325832105035 28.085 38 Si 0.72309083328626 0.67788444807040 0.27674167894965 28.085 39 Si 0.72309083328626 0.82211555192960 0.77674167894965 28.085 40 Si 0.27690916671374 0.32211555192960 0.72325832105035 28.085 *41 Si 0.35137416398407 0.68384772215490 0.11024469516485 28.085 42 Si 0.64862583601594 0.18384772215490 0.38975530483516 28.085 43 Si 0.64862583601594 0.31615227784510 0.88975530483515 28.085 44 Si 0.35137416398407 0.81615227784510 0.61024469516485 28.085 *45 Ba 0.14427024744898 0.24648089773239 0.46784549515355 137.327 46 Ba 0.85572975255102 0.74648089773239 0.03215450484645 137.327 47 Ba 0.85572975255102 0.75351910226761 0.53215450484645 137.327 48 Ba 0.14427024744898 0.25351910226761 0.96784549515355 137.327 *49 Ba 0.41740329091182 0.72813948197780 0.38975897912011 137.327 50 Ba 0.58259670908818 0.22813948197780 0.11024102087989 137.327 51 Ba 0.58259670908818 0.27186051802220 0.61024102087989 137.327 52 Ba 0.41740329091182 0.77186051802220 0.88975897912011 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.504022140165324 0.000000000000000 0.000000000000000 b 0.000000000000000 4.686136240000001 0.000000000000000 c -0.864960304581116 0.000000000000000 13.955610702259930 Atomic positions (fractional): *1 O 0.99894608283392 0.84367526812209 0.21281079252899 15.999 > 1 2 O 0.00105391716608 0.34367526812209 0.28718920747101 15.999 > 2 3 O 0.00105391716608 0.15632473187791 0.78718920747101 15.999 > 3 4 O 0.99894608283392 0.65632473187791 0.71281079252899 15.999 > 4 *5 O 0.96416648053706 0.26384409330382 0.08824214992581 15.999 > 5 6 O 0.03583351946295 0.76384409330382 0.41175785007419 15.999 > 6 7 O 0.03583351946295 0.73615590669618 0.91175785007419 15.999 > 7 8 O 0.96416648053706 0.23615590669618 0.58824214992581 15.999 > 8 *9 O 0.15534778699195 0.20595394452889 0.17166086671887 15.999 > 9 10 O 0.84465221300805 0.70595394452889 0.32833913328113 15.999 > 10 11 O 0.84465221300805 0.79404605547111 0.82833913328113 15.999 > 11 12 O 0.15534778699195 0.29404605547111 0.67166086671887 15.999 > 12 *13 O 0.28746531708393 0.26207457574512 0.33370614723941 15.999 > 13 14 O 0.71253468291607 0.76207457574512 0.16629385276059 15.999 > 14 15 O 0.71253468291607 0.73792542425488 0.66629385276059 15.999 > 15 16 O 0.28746531708393 0.23792542425488 0.83370614723941 15.999 > 16 *17 O 0.31799293837204 0.84614044515478 0.21068196760394 15.999 > 17 18 O 0.68200706162796 0.34614044515478 0.28931803239606 15.999 > 18 19 O 0.68200706162796 0.15385955484522 0.78931803239606 15.999 > 19 20 O 0.31799293837204 0.65385955484522 0.71068196760394 15.999 > 20 *21 O 0.47257337029468 0.75059632383787 0.58337665751031 15.999 > 21 22 O 0.52742662970532 0.25059632383787 0.91662334248969 15.999 > 22 23 O 0.52742662970532 0.24940367616213 0.41662334248969 15.999 > 23 24 O 0.47257337029468 0.74940367616213 0.08337665751031 15.999 > 24 *25 O 0.26567475344307 0.76912583242675 0.52075454968261 15.999 > 25 26 O 0.73432524655693 0.26912583242675 0.97924545031739 15.999 > 26 27 O 0.73432524655693 0.23087416757325 0.47924545031739 15.999 > 27 28 O 0.26567475344307 0.73087416757325 0.02075454968261 15.999 > 28 *29 O 0.35407717441052 0.15374699584866 0.64972479106390 15.999 > 29 30 O 0.64592282558948 0.65374699584866 0.85027520893610 15.999 > 30 31 O 0.64592282558948 0.84625300415134 0.35027520893610 15.999 > 31 32 O 0.35407717441052 0.34625300415134 0.14972479106390 15.999 > 32 *33 Si 0.02619928140480 0.17857147789909 0.18702750642486 28.085 > 33 34 Si 0.97380071859520 0.67857147789909 0.31297249357514 28.085 > 34 35 Si 0.97380071859520 0.82142852210091 0.81297249357514 28.085 > 35 36 Si 0.02619928140480 0.32142852210091 0.68702750642486 28.085 > 36 *37 Si 0.27690916671374 0.17788444807040 0.22325832105035 28.085 > 37 38 Si 0.72309083328626 0.67788444807040 0.27674167894965 28.085 > 38 39 Si 0.72309083328626 0.82211555192960 0.77674167894965 28.085 > 39 40 Si 0.27690916671374 0.32211555192960 0.72325832105035 28.085 > 40 *41 Si 0.35137416398407 0.68384772215490 0.11024469516485 28.085 > 41 42 Si 0.64862583601594 0.18384772215490 0.38975530483516 28.085 > 42 43 Si 0.64862583601594 0.31615227784510 0.88975530483515 28.085 > 43 44 Si 0.35137416398407 0.81615227784510 0.61024469516485 28.085 > 44 *45 Ba 0.14427024744898 0.24648089773239 0.46784549515355 137.327 > 45 46 Ba 0.85572975255102 0.74648089773239 0.03215450484645 137.327 > 46 47 Ba 0.85572975255102 0.75351910226761 0.53215450484645 137.327 > 47 48 Ba 0.14427024744898 0.25351910226761 0.96784549515355 137.327 > 48 *49 Ba 0.41740329091182 0.72813948197780 0.38975897912011 137.327 > 49 50 Ba 0.58259670908818 0.22813948197780 0.11024102087989 137.327 > 50 51 Ba 0.58259670908818 0.27186051802220 0.61024102087989 137.327 > 51 52 Ba 0.41740329091182 0.77186051802220 0.88975897912011 137.327 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.504022140165324 0.000000000000000 0.000000000000000 b 0.000000000000000 9.372272480000001 0.000000000000000 c -0.864960304581116 0.000000000000000 13.955610702259930 Atomic positions (fractional): *1 O 0.99894608283392 0.42183763406104 0.21281079252899 15.999 > 1 2 O 0.99894608283392 0.92183763406104 0.21281079252899 15.999 > 1 3 O 0.00105391716608 0.17183763406104 0.28718920747101 15.999 > 2 4 O 0.00105391716608 0.67183763406104 0.28718920747101 15.999 > 2 5 O 0.00105391716608 0.07816236593896 0.78718920747101 15.999 > 3 6 O 0.00105391716608 0.57816236593896 0.78718920747101 15.999 > 3 7 O 0.99894608283392 0.32816236593896 0.71281079252899 15.999 > 4 8 O 0.99894608283392 0.82816236593896 0.71281079252899 15.999 > 4 *9 O 0.96416648053706 0.13192204665191 0.08824214992581 15.999 > 5 10 O 0.96416648053706 0.63192204665191 0.08824214992581 15.999 > 5 11 O 0.03583351946295 0.38192204665191 0.41175785007419 15.999 > 6 12 O 0.03583351946295 0.88192204665191 0.41175785007419 15.999 > 6 13 O 0.03583351946295 0.36807795334809 0.91175785007419 15.999 > 7 14 O 0.03583351946295 0.86807795334809 0.91175785007419 15.999 > 7 15 O 0.96416648053706 0.11807795334809 0.58824214992581 15.999 > 8 16 O 0.96416648053706 0.61807795334809 0.58824214992581 15.999 > 8 *17 O 0.15534778699195 0.10297697226444 0.17166086671887 15.999 > 9 18 O 0.15534778699195 0.60297697226444 0.17166086671887 15.999 > 9 19 O 0.84465221300805 0.35297697226444 0.32833913328113 15.999 > 10 20 O 0.84465221300805 0.85297697226444 0.32833913328113 15.999 > 10 21 O 0.84465221300805 0.39702302773556 0.82833913328113 15.999 > 11 22 O 0.84465221300805 0.89702302773556 0.82833913328113 15.999 > 11 23 O 0.15534778699195 0.14702302773556 0.67166086671887 15.999 > 12 24 O 0.15534778699195 0.64702302773556 0.67166086671887 15.999 > 12 *25 O 0.28746531708393 0.13103728787256 0.33370614723941 15.999 > 13 26 O 0.28746531708393 0.63103728787256 0.33370614723941 15.999 > 13 27 O 0.71253468291607 0.38103728787256 0.16629385276059 15.999 > 14 28 O 0.71253468291607 0.88103728787256 0.16629385276059 15.999 > 14 29 O 0.71253468291607 0.36896271212744 0.66629385276059 15.999 > 15 30 O 0.71253468291607 0.86896271212744 0.66629385276059 15.999 > 15 31 O 0.28746531708393 0.11896271212744 0.83370614723941 15.999 > 16 32 O 0.28746531708393 0.61896271212744 0.83370614723941 15.999 > 16 *33 O 0.31799293837204 0.42307022257739 0.21068196760394 15.999 > 17 34 O 0.31799293837204 0.92307022257739 0.21068196760394 15.999 > 17 35 O 0.68200706162796 0.17307022257739 0.28931803239606 15.999 > 18 36 O 0.68200706162796 0.67307022257739 0.28931803239606 15.999 > 18 37 O 0.68200706162796 0.07692977742261 0.78931803239606 15.999 > 19 38 O 0.68200706162796 0.57692977742261 0.78931803239606 15.999 > 19 39 O 0.31799293837204 0.32692977742261 0.71068196760394 15.999 > 20 40 O 0.31799293837204 0.82692977742261 0.71068196760394 15.999 > 20 *41 O 0.47257337029468 0.37529816191894 0.58337665751031 15.999 > 21 42 O 0.47257337029468 0.87529816191894 0.58337665751031 15.999 > 21 43 O 0.52742662970532 0.12529816191894 0.91662334248969 15.999 > 22 44 O 0.52742662970532 0.62529816191894 0.91662334248969 15.999 > 22 45 O 0.52742662970532 0.12470183808106 0.41662334248969 15.999 > 23 46 O 0.52742662970532 0.62470183808106 0.41662334248969 15.999 > 23 47 O 0.47257337029468 0.37470183808106 0.08337665751031 15.999 > 24 48 O 0.47257337029468 0.87470183808106 0.08337665751031 15.999 > 24 *49 O 0.26567475344307 0.38456291621338 0.52075454968261 15.999 > 25 50 O 0.26567475344307 0.88456291621338 0.52075454968261 15.999 > 25 51 O 0.73432524655693 0.13456291621337 0.97924545031739 15.999 > 26 52 O 0.73432524655693 0.63456291621338 0.97924545031739 15.999 > 26 53 O 0.73432524655693 0.11543708378662 0.47924545031739 15.999 > 27 54 O 0.73432524655693 0.61543708378662 0.47924545031739 15.999 > 27 55 O 0.26567475344307 0.36543708378662 0.02075454968261 15.999 > 28 56 O 0.26567475344307 0.86543708378662 0.02075454968261 15.999 > 28 *57 O 0.35407717441052 0.07687349792433 0.64972479106390 15.999 > 29 58 O 0.35407717441052 0.57687349792433 0.64972479106390 15.999 > 29 59 O 0.64592282558948 0.32687349792433 0.85027520893610 15.999 > 30 60 O 0.64592282558948 0.82687349792433 0.85027520893610 15.999 > 30 61 O 0.64592282558948 0.42312650207567 0.35027520893610 15.999 > 31 62 O 0.64592282558948 0.92312650207567 0.35027520893610 15.999 > 31 63 O 0.35407717441052 0.17312650207567 0.14972479106390 15.999 > 32 64 O 0.35407717441052 0.67312650207567 0.14972479106390 15.999 > 32 *65 Si 0.02619928140480 0.08928573894954 0.18702750642486 28.085 > 33 66 Si 0.02619928140480 0.58928573894954 0.18702750642486 28.085 > 33 67 Si 0.97380071859520 0.33928573894954 0.31297249357514 28.085 > 34 68 Si 0.97380071859520 0.83928573894954 0.31297249357514 28.085 > 34 69 Si 0.97380071859520 0.41071426105046 0.81297249357514 28.085 > 35 70 Si 0.97380071859520 0.91071426105046 0.81297249357514 28.085 > 35 71 Si 0.02619928140480 0.16071426105046 0.68702750642486 28.085 > 36 72 Si 0.02619928140480 0.66071426105046 0.68702750642486 28.085 > 36 *73 Si 0.27690916671374 0.08894222403520 0.22325832105035 28.085 > 37 74 Si 0.27690916671374 0.58894222403520 0.22325832105035 28.085 > 37 75 Si 0.72309083328626 0.33894222403520 0.27674167894965 28.085 > 38 76 Si 0.72309083328626 0.83894222403520 0.27674167894965 28.085 > 38 77 Si 0.72309083328626 0.41105777596480 0.77674167894965 28.085 > 39 78 Si 0.72309083328626 0.91105777596480 0.77674167894965 28.085 > 39 79 Si 0.27690916671374 0.16105777596480 0.72325832105035 28.085 > 40 80 Si 0.27690916671374 0.66105777596480 0.72325832105035 28.085 > 40 *81 Si 0.35137416398407 0.34192386107745 0.11024469516485 28.085 > 41 82 Si 0.35137416398407 0.84192386107745 0.11024469516485 28.085 > 41 83 Si 0.64862583601594 0.09192386107745 0.38975530483516 28.085 > 42 84 Si 0.64862583601594 0.59192386107745 0.38975530483516 28.085 > 42 85 Si 0.64862583601594 0.15807613892255 0.88975530483515 28.085 > 43 86 Si 0.64862583601594 0.65807613892255 0.88975530483515 28.085 > 43 87 Si 0.35137416398407 0.40807613892255 0.61024469516485 28.085 > 44 88 Si 0.35137416398407 0.90807613892255 0.61024469516485 28.085 > 44 *89 Ba 0.14427024744898 0.12324044886619 0.46784549515355 137.327 > 45 90 Ba 0.14427024744898 0.62324044886619 0.46784549515355 137.327 > 45 91 Ba 0.85572975255102 0.37324044886619 0.03215450484645 137.327 > 46 92 Ba 0.85572975255102 0.87324044886619 0.03215450484645 137.327 > 46 93 Ba 0.85572975255102 0.37675955113381 0.53215450484645 137.327 > 47 94 Ba 0.85572975255102 0.87675955113381 0.53215450484645 137.327 > 47 95 Ba 0.14427024744898 0.12675955113381 0.96784549515355 137.327 > 48 96 Ba 0.14427024744898 0.62675955113381 0.96784549515355 137.327 > 48 *97 Ba 0.41740329091182 0.36406974098890 0.38975897912011 137.327 > 49 98 Ba 0.41740329091182 0.86406974098890 0.38975897912011 137.327 > 49 99 Ba 0.58259670908818 0.11406974098890 0.11024102087989 137.327 > 50 100 Ba 0.58259670908818 0.61406974098890 0.11024102087989 137.327 > 50 101 Ba 0.58259670908818 0.13593025901110 0.61024102087989 137.327 > 51 102 Ba 0.58259670908818 0.63593025901110 0.61024102087989 137.327 > 51 103 Ba 0.41740329091182 0.38593025901110 0.88975897912011 137.327 > 52 104 Ba 0.41740329091182 0.88593025901110 0.88975897912011 137.327 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8102304 0.0000000 -0.0077367 0.0000000 2.8382662 0.0000000 -0.0077357 0.0000000 2.9176827 -------------------------- Born effective charges -------------------------- 1 O -1.1956911 -0.4172920 0.1926795 -0.3264299 -2.2216693 0.6902859 0.0962421 0.5722122 -1.8948554 2 O -1.1956911 0.4172920 0.1926795 0.3264299 -2.2216693 -0.6902859 0.0962421 -0.5722122 -1.8948554 3 O -1.1956911 -0.4172920 0.1926795 -0.3264299 -2.2216693 0.6902859 0.0962421 0.5722122 -1.8948554 4 O -1.1956911 0.4172920 0.1926795 0.3264299 -2.2216693 -0.6902859 0.0962421 -0.5722122 -1.8948554 5 O -1.6964100 0.0957389 -0.2331545 0.0901874 -1.7276691 0.1014463 -0.1841275 0.1779257 -1.8918825 6 O -1.6964100 -0.0957389 -0.2331545 -0.0901874 -1.7276691 -0.1014463 -0.1841275 -0.1779257 -1.8918825 7 O -1.6964100 0.0957389 -0.2331545 0.0901874 -1.7276691 0.1014463 -0.1841275 0.1779257 -1.8918825 8 O -1.6964100 -0.0957389 -0.2331545 -0.0901874 -1.7276691 -0.1014463 -0.1841275 -0.1779257 -1.8918825 9 O -2.9651953 -0.0173989 -0.3218487 -0.0038105 -0.9710867 0.0394561 -0.1814278 0.0554033 -1.5560208 10 O -2.9651953 0.0173989 -0.3218487 0.0038105 -0.9710867 -0.0394561 -0.1814278 -0.0554033 -1.5560208 11 O -2.9651953 -0.0173989 -0.3218487 -0.0038105 -0.9710867 0.0394561 -0.1814278 0.0554033 -1.5560208 12 O -2.9651953 0.0173989 -0.3218487 0.0038105 -0.9710867 -0.0394561 -0.1814278 -0.0554033 -1.5560208 13 O -1.5774668 -0.0635349 0.0827126 -0.0797818 -1.5599463 -0.1206318 0.1432466 -0.2145264 -2.2201176 14 O -1.5774668 0.0635349 0.0827126 0.0797818 -1.5599463 0.1206318 0.1432466 0.2145264 -2.2201176 15 O -1.5774668 -0.0635349 0.0827126 -0.0797818 -1.5599463 -0.1206318 0.1432466 -0.2145264 -2.2201176 16 O -1.5774668 0.0635349 0.0827126 0.0797818 -1.5599463 0.1206318 0.1432466 0.2145264 -2.2201176 17 O -1.1923917 0.4627821 0.2083763 0.4495465 -2.1636724 -0.5704531 0.1572366 -0.4317952 -2.0913236 18 O -1.1923917 -0.4627821 0.2083763 -0.4495465 -2.1636724 0.5704531 0.1572366 0.4317952 -2.0913236 19 O -1.1923917 0.4627821 0.2083763 0.4495465 -2.1636724 -0.5704531 0.1572366 -0.4317952 -2.0913236 20 O -1.1923917 -0.4627821 0.2083763 -0.4495465 -2.1636724 0.5704531 0.1572366 0.4317952 -2.0913236 21 O -2.0773809 0.2088428 0.0144535 0.1796619 -1.7762662 0.0097376 0.0556739 -0.0633804 -1.6023990 22 O -2.0773809 -0.2088428 0.0144535 -0.1796619 -1.7762662 -0.0097376 0.0556739 0.0633804 -1.6023990 23 O -2.0773809 0.2088428 0.0144535 0.1796619 -1.7762662 0.0097376 0.0556739 -0.0633804 -1.6023990 24 O -2.0773809 -0.2088428 0.0144535 -0.1796619 -1.7762662 -0.0097376 0.0556739 0.0633804 -1.6023990 25 O -1.8309816 0.0705929 -0.1639039 0.0389197 -1.5974934 -0.0301152 -0.2994484 -0.0627245 -1.9067636 26 O -1.8309816 -0.0705929 -0.1639039 -0.0389197 -1.5974934 0.0301152 -0.2994484 0.0627245 -1.9067636 27 O -1.8309816 0.0705929 -0.1639039 0.0389197 -1.5974934 -0.0301152 -0.2994484 -0.0627245 -1.9067636 28 O -1.8309816 -0.0705929 -0.1639039 -0.0389197 -1.5974934 0.0301152 -0.2994484 0.0627245 -1.9067636 29 O -1.5443719 0.3056538 0.3972595 0.3343300 -2.2747364 -0.6645166 0.3777415 -0.5534080 -1.6102583 30 O -1.5443719 -0.3056538 0.3972595 -0.3343300 -2.2747364 0.6645166 0.3777415 0.5534080 -1.6102583 31 O -1.5443719 0.3056538 0.3972595 0.3343300 -2.2747364 -0.6645166 0.3777415 -0.5534080 -1.6102583 32 O -1.5443719 -0.3056538 0.3972595 -0.3343300 -2.2747364 0.6645166 0.3777415 0.5534080 -1.6102583 33 Si 3.1899694 0.2506274 -0.1201643 0.0604478 3.0295176 0.1591014 -0.0346780 -0.2244959 3.1760443 34 Si 3.1899694 -0.2506274 -0.1201643 -0.0604478 3.0295176 -0.1591014 -0.0346780 0.2244959 3.1760443 35 Si 3.1899694 0.2506274 -0.1201643 0.0604478 3.0295176 0.1591014 -0.0346780 -0.2244959 3.1760443 36 Si 3.1899694 -0.2506274 -0.1201643 -0.0604478 3.0295176 -0.1591014 -0.0346780 0.2244959 3.1760443 37 Si 3.0511050 -0.2096041 0.1124521 0.0364179 3.0408796 -0.0927880 -0.0911362 0.1789525 3.2581390 38 Si 3.0511050 0.2096041 0.1124521 -0.0364179 3.0408796 0.0927880 -0.0911362 -0.1789525 3.2581390 39 Si 3.0511050 -0.2096041 0.1124521 0.0364179 3.0408796 -0.0927880 -0.0911362 0.1789525 3.2581390 40 Si 3.0511050 0.2096041 0.1124521 -0.0364179 3.0408796 0.0927880 -0.0911362 -0.1789525 3.2581390 41 Si 2.7255256 0.1449176 -0.2405335 -0.0375631 2.8616609 0.0703432 -0.1131468 -0.2109192 3.0689101 42 Si 2.7255256 -0.1449176 -0.2405335 0.0375631 2.8616609 -0.0703432 -0.1131468 0.2109192 3.0689101 43 Si 2.7255256 0.1449176 -0.2405335 -0.0375631 2.8616609 0.0703432 -0.1131468 -0.2109192 3.0689101 44 Si 2.7255256 -0.1449176 -0.2405335 0.0375631 2.8616609 -0.0703432 -0.1131468 0.2109192 3.0689101 45 Ba 2.6170704 -0.0206974 -0.0325813 -0.0387813 2.6809729 -0.0396469 -0.0734999 -0.0102186 2.6771092 46 Ba 2.6170704 0.0206974 -0.0325813 0.0387813 2.6809729 0.0396469 -0.0734999 0.0102186 2.6771092 47 Ba 2.6170704 -0.0206974 -0.0325813 -0.0387813 2.6809729 -0.0396469 -0.0734999 -0.0102186 2.6771092 48 Ba 2.6170704 0.0206974 -0.0325813 0.0387813 2.6809729 0.0396469 -0.0734999 0.0102186 2.6771092 49 Ba 2.4962189 -0.0267585 0.1042528 -0.0058508 2.6795087 -0.0269973 0.1473239 0.0157758 2.5934181 50 Ba 2.4962189 0.0267585 0.1042528 0.0058508 2.6795087 0.0269973 0.1473239 -0.0157758 2.5934181 51 Ba 2.4962189 -0.0267585 0.1042528 -0.0058508 2.6795087 -0.0269973 0.1473239 0.0157758 2.5934181 52 Ba 2.4962189 0.0267585 0.1042528 0.0058508 2.6795087 0.0269973 0.1473239 -0.0157758 2.5934181 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6201 Number of blocks in projector: 6201 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (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: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1600 - Time: 1.677 Solver_block: 200 / 1600 - Time: 1.561 Solver_block: 300 / 1600 - Time: 1.560 Solver_block: 400 / 1600 - Time: 1.563 Solver_block: 500 / 1600 - Time: 1.561 Solver_block: 600 / 1600 - Time: 1.562 Solver_block: 700 / 1600 - Time: 1.561 Solver_block: 800 / 1600 - Time: 1.565 Solver_block: 900 / 1600 - Time: 1.559 Solver_block: 1000 / 1600 - Time: 1.559 Solver_block: 1100 / 1600 - Time: 1.561 Solver_block: 1200 / 1600 - Time: 1.559 Solver_block: 1300 / 1600 - Time: 1.563 Solver_block: 1400 / 1600 - Time: 1.557 Solver_block: 1500 / 1600 - Time: 1.561 Solver_block: 1600 / 1600 - Time: 1.560 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 25.792 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6201 Number of blocks in projector: 6201 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (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: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:57:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:57:11]------------------------- Compiled with OpenMP support (max 32 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): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.504022140165324 0.000000000000000 0.000000000000000 b 0.000000000000000 4.686136240000001 0.000000000000000 c -0.864960304581116 0.000000000000000 13.955610702259930 Atomic positions (fractional): 1 O 0.99894608283392 0.84367526812209 0.21281079252899 15.999 2 O 0.00105391716608 0.34367526812209 0.28718920747101 15.999 3 O 0.00105391716608 0.15632473187791 0.78718920747101 15.999 4 O 0.99894608283392 0.65632473187791 0.71281079252899 15.999 5 O 0.96416648053706 0.26384409330382 0.08824214992581 15.999 6 O 0.03583351946295 0.76384409330382 0.41175785007419 15.999 7 O 0.03583351946295 0.73615590669618 0.91175785007419 15.999 8 O 0.96416648053706 0.23615590669618 0.58824214992581 15.999 9 O 0.15534778699195 0.20595394452889 0.17166086671887 15.999 10 O 0.84465221300805 0.70595394452889 0.32833913328113 15.999 11 O 0.84465221300805 0.79404605547111 0.82833913328113 15.999 12 O 0.15534778699195 0.29404605547111 0.67166086671887 15.999 13 O 0.28746531708393 0.26207457574512 0.33370614723941 15.999 14 O 0.71253468291607 0.76207457574512 0.16629385276059 15.999 15 O 0.71253468291607 0.73792542425488 0.66629385276059 15.999 16 O 0.28746531708393 0.23792542425488 0.83370614723941 15.999 17 O 0.31799293837204 0.84614044515478 0.21068196760394 15.999 18 O 0.68200706162796 0.34614044515478 0.28931803239606 15.999 19 O 0.68200706162796 0.15385955484522 0.78931803239606 15.999 20 O 0.31799293837204 0.65385955484522 0.71068196760394 15.999 21 O 0.47257337029468 0.75059632383787 0.58337665751031 15.999 22 O 0.52742662970532 0.25059632383787 0.91662334248969 15.999 23 O 0.52742662970532 0.24940367616213 0.41662334248969 15.999 24 O 0.47257337029468 0.74940367616213 0.08337665751031 15.999 25 O 0.26567475344307 0.76912583242675 0.52075454968261 15.999 26 O 0.73432524655693 0.26912583242675 0.97924545031739 15.999 27 O 0.73432524655693 0.23087416757325 0.47924545031739 15.999 28 O 0.26567475344307 0.73087416757325 0.02075454968261 15.999 29 O 0.35407717441052 0.15374699584866 0.64972479106390 15.999 30 O 0.64592282558948 0.65374699584866 0.85027520893610 15.999 31 O 0.64592282558948 0.84625300415134 0.35027520893610 15.999 32 O 0.35407717441052 0.34625300415134 0.14972479106390 15.999 33 Si 0.02619928140480 0.17857147789909 0.18702750642486 28.085 34 Si 0.97380071859520 0.67857147789909 0.31297249357514 28.085 35 Si 0.97380071859520 0.82142852210091 0.81297249357514 28.085 36 Si 0.02619928140480 0.32142852210091 0.68702750642486 28.085 37 Si 0.27690916671374 0.17788444807040 0.22325832105035 28.085 38 Si 0.72309083328626 0.67788444807040 0.27674167894965 28.085 39 Si 0.72309083328626 0.82211555192960 0.77674167894965 28.085 40 Si 0.27690916671374 0.32211555192960 0.72325832105035 28.085 41 Si 0.35137416398407 0.68384772215490 0.11024469516485 28.085 42 Si 0.64862583601594 0.18384772215490 0.38975530483516 28.085 43 Si 0.64862583601594 0.31615227784510 0.88975530483515 28.085 44 Si 0.35137416398407 0.81615227784510 0.61024469516485 28.085 45 Ba 0.14427024744898 0.24648089773239 0.46784549515355 137.327 46 Ba 0.85572975255102 0.74648089773239 0.03215450484645 137.327 47 Ba 0.85572975255102 0.75351910226761 0.53215450484645 137.327 48 Ba 0.14427024744898 0.25351910226761 0.96784549515355 137.327 49 Ba 0.41740329091182 0.72813948197780 0.38975897912011 137.327 50 Ba 0.58259670908818 0.22813948197780 0.11024102087989 137.327 51 Ba 0.58259670908818 0.27186051802220 0.61024102087989 137.327 52 Ba 0.41740329091182 0.77186051802220 0.88975897912011 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.504022140165324 0.000000000000000 0.000000000000000 b 0.000000000000000 9.372272480000001 0.000000000000000 c -0.864960304581116 0.000000000000000 13.955610702259930 Atomic positions (fractional): 1 O 0.99894608283392 0.42183763406104 0.21281079252899 15.999 > 1 2 O 0.99894608283392 0.92183763406104 0.21281079252899 15.999 > 1 3 O 0.00105391716608 0.17183763406104 0.28718920747101 15.999 > 3 4 O 0.00105391716608 0.67183763406104 0.28718920747101 15.999 > 3 5 O 0.00105391716608 0.07816236593896 0.78718920747101 15.999 > 5 6 O 0.00105391716608 0.57816236593896 0.78718920747101 15.999 > 5 7 O 0.99894608283392 0.32816236593896 0.71281079252899 15.999 > 7 8 O 0.99894608283392 0.82816236593896 0.71281079252899 15.999 > 7 9 O 0.96416648053706 0.13192204665191 0.08824214992581 15.999 > 9 10 O 0.96416648053706 0.63192204665191 0.08824214992581 15.999 > 9 11 O 0.03583351946295 0.38192204665191 0.41175785007419 15.999 > 11 12 O 0.03583351946295 0.88192204665191 0.41175785007419 15.999 > 11 13 O 0.03583351946295 0.36807795334809 0.91175785007419 15.999 > 13 14 O 0.03583351946295 0.86807795334809 0.91175785007419 15.999 > 13 15 O 0.96416648053706 0.11807795334809 0.58824214992581 15.999 > 15 16 O 0.96416648053706 0.61807795334809 0.58824214992581 15.999 > 15 17 O 0.15534778699195 0.10297697226444 0.17166086671887 15.999 > 17 18 O 0.15534778699195 0.60297697226444 0.17166086671887 15.999 > 17 19 O 0.84465221300805 0.35297697226444 0.32833913328113 15.999 > 19 20 O 0.84465221300805 0.85297697226444 0.32833913328113 15.999 > 19 21 O 0.84465221300805 0.39702302773556 0.82833913328113 15.999 > 21 22 O 0.84465221300805 0.89702302773556 0.82833913328113 15.999 > 21 23 O 0.15534778699195 0.14702302773556 0.67166086671887 15.999 > 23 24 O 0.15534778699195 0.64702302773556 0.67166086671887 15.999 > 23 25 O 0.28746531708393 0.13103728787256 0.33370614723941 15.999 > 25 26 O 0.28746531708393 0.63103728787256 0.33370614723941 15.999 > 25 27 O 0.71253468291607 0.38103728787256 0.16629385276059 15.999 > 27 28 O 0.71253468291607 0.88103728787256 0.16629385276059 15.999 > 27 29 O 0.71253468291607 0.36896271212744 0.66629385276059 15.999 > 29 30 O 0.71253468291607 0.86896271212744 0.66629385276059 15.999 > 29 31 O 0.28746531708393 0.11896271212744 0.83370614723941 15.999 > 31 32 O 0.28746531708393 0.61896271212744 0.83370614723941 15.999 > 31 33 O 0.31799293837204 0.42307022257739 0.21068196760394 15.999 > 33 34 O 0.31799293837204 0.92307022257739 0.21068196760394 15.999 > 33 35 O 0.68200706162796 0.17307022257739 0.28931803239606 15.999 > 35 36 O 0.68200706162796 0.67307022257739 0.28931803239606 15.999 > 35 37 O 0.68200706162796 0.07692977742261 0.78931803239606 15.999 > 37 38 O 0.68200706162796 0.57692977742261 0.78931803239606 15.999 > 37 39 O 0.31799293837204 0.32692977742261 0.71068196760394 15.999 > 39 40 O 0.31799293837204 0.82692977742261 0.71068196760394 15.999 > 39 41 O 0.47257337029468 0.37529816191894 0.58337665751031 15.999 > 41 42 O 0.47257337029468 0.87529816191894 0.58337665751031 15.999 > 41 43 O 0.52742662970532 0.12529816191894 0.91662334248969 15.999 > 43 44 O 0.52742662970532 0.62529816191894 0.91662334248969 15.999 > 43 45 O 0.52742662970532 0.12470183808106 0.41662334248969 15.999 > 45 46 O 0.52742662970532 0.62470183808106 0.41662334248969 15.999 > 45 47 O 0.47257337029468 0.37470183808106 0.08337665751031 15.999 > 47 48 O 0.47257337029468 0.87470183808106 0.08337665751031 15.999 > 47 49 O 0.26567475344307 0.38456291621338 0.52075454968261 15.999 > 49 50 O 0.26567475344307 0.88456291621338 0.52075454968261 15.999 > 49 51 O 0.73432524655693 0.13456291621337 0.97924545031739 15.999 > 51 52 O 0.73432524655693 0.63456291621338 0.97924545031739 15.999 > 51 53 O 0.73432524655693 0.11543708378662 0.47924545031739 15.999 > 53 54 O 0.73432524655693 0.61543708378662 0.47924545031739 15.999 > 53 55 O 0.26567475344307 0.36543708378662 0.02075454968261 15.999 > 55 56 O 0.26567475344307 0.86543708378662 0.02075454968261 15.999 > 55 57 O 0.35407717441052 0.07687349792433 0.64972479106390 15.999 > 57 58 O 0.35407717441052 0.57687349792433 0.64972479106390 15.999 > 57 59 O 0.64592282558948 0.32687349792433 0.85027520893610 15.999 > 59 60 O 0.64592282558948 0.82687349792433 0.85027520893610 15.999 > 59 61 O 0.64592282558948 0.42312650207567 0.35027520893610 15.999 > 61 62 O 0.64592282558948 0.92312650207567 0.35027520893610 15.999 > 61 63 O 0.35407717441052 0.17312650207567 0.14972479106390 15.999 > 63 64 O 0.35407717441052 0.67312650207567 0.14972479106390 15.999 > 63 65 Si 0.02619928140480 0.08928573894954 0.18702750642486 28.085 > 65 66 Si 0.02619928140480 0.58928573894954 0.18702750642486 28.085 > 65 67 Si 0.97380071859520 0.33928573894954 0.31297249357514 28.085 > 67 68 Si 0.97380071859520 0.83928573894954 0.31297249357514 28.085 > 67 69 Si 0.97380071859520 0.41071426105046 0.81297249357514 28.085 > 69 70 Si 0.97380071859520 0.91071426105046 0.81297249357514 28.085 > 69 71 Si 0.02619928140480 0.16071426105046 0.68702750642486 28.085 > 71 72 Si 0.02619928140480 0.66071426105046 0.68702750642486 28.085 > 71 73 Si 0.27690916671374 0.08894222403520 0.22325832105035 28.085 > 73 74 Si 0.27690916671374 0.58894222403520 0.22325832105035 28.085 > 73 75 Si 0.72309083328626 0.33894222403520 0.27674167894965 28.085 > 75 76 Si 0.72309083328626 0.83894222403520 0.27674167894965 28.085 > 75 77 Si 0.72309083328626 0.41105777596480 0.77674167894965 28.085 > 77 78 Si 0.72309083328626 0.91105777596480 0.77674167894965 28.085 > 77 79 Si 0.27690916671374 0.16105777596480 0.72325832105035 28.085 > 79 80 Si 0.27690916671374 0.66105777596480 0.72325832105035 28.085 > 79 81 Si 0.35137416398407 0.34192386107745 0.11024469516485 28.085 > 81 82 Si 0.35137416398407 0.84192386107745 0.11024469516485 28.085 > 81 83 Si 0.64862583601594 0.09192386107745 0.38975530483516 28.085 > 83 84 Si 0.64862583601594 0.59192386107745 0.38975530483516 28.085 > 83 85 Si 0.64862583601594 0.15807613892255 0.88975530483515 28.085 > 85 86 Si 0.64862583601594 0.65807613892255 0.88975530483515 28.085 > 85 87 Si 0.35137416398407 0.40807613892255 0.61024469516485 28.085 > 87 88 Si 0.35137416398407 0.90807613892255 0.61024469516485 28.085 > 87 89 Ba 0.14427024744898 0.12324044886619 0.46784549515355 137.327 > 89 90 Ba 0.14427024744898 0.62324044886619 0.46784549515355 137.327 > 89 91 Ba 0.85572975255102 0.37324044886619 0.03215450484645 137.327 > 91 92 Ba 0.85572975255102 0.87324044886619 0.03215450484645 137.327 > 91 93 Ba 0.85572975255102 0.37675955113381 0.53215450484645 137.327 > 93 94 Ba 0.85572975255102 0.87675955113381 0.53215450484645 137.327 > 93 95 Ba 0.14427024744898 0.12675955113381 0.96784549515355 137.327 > 95 96 Ba 0.14427024744898 0.62675955113381 0.96784549515355 137.327 > 95 97 Ba 0.41740329091182 0.36406974098890 0.38975897912011 137.327 > 97 98 Ba 0.41740329091182 0.86406974098890 0.38975897912011 137.327 > 97 99 Ba 0.58259670908818 0.11406974098890 0.11024102087989 137.327 > 99 100 Ba 0.58259670908818 0.61406974098890 0.11024102087989 137.327 > 99 101 Ba 0.58259670908818 0.13593025901110 0.61024102087989 137.327 > 101 102 Ba 0.58259670908818 0.63593025901110 0.61024102087989 137.327 > 101 103 Ba 0.41740329091182 0.38593025901110 0.88975897912011 137.327 > 103 104 Ba 0.41740329091182 0.88593025901110 0.88975897912011 137.327 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8102304 0.0000000 -0.0077367 0.0000000 2.8382662 0.0000000 -0.0077357 0.0000000 2.9176827 -------------------------- Born effective charges -------------------------- 1 O -1.1956911 -0.4172920 0.1926795 -0.3264299 -2.2216693 0.6902859 0.0962421 0.5722122 -1.8948554 2 O -1.1956911 0.4172920 0.1926795 0.3264299 -2.2216693 -0.6902859 0.0962421 -0.5722122 -1.8948554 3 O -1.1956911 -0.4172920 0.1926795 -0.3264299 -2.2216693 0.6902859 0.0962421 0.5722122 -1.8948554 4 O -1.1956911 0.4172920 0.1926795 0.3264299 -2.2216693 -0.6902859 0.0962421 -0.5722122 -1.8948554 5 O -1.6964100 0.0957389 -0.2331545 0.0901874 -1.7276691 0.1014463 -0.1841275 0.1779257 -1.8918825 6 O -1.6964100 -0.0957389 -0.2331545 -0.0901874 -1.7276691 -0.1014463 -0.1841275 -0.1779257 -1.8918825 7 O -1.6964100 0.0957389 -0.2331545 0.0901874 -1.7276691 0.1014463 -0.1841275 0.1779257 -1.8918825 8 O -1.6964100 -0.0957389 -0.2331545 -0.0901874 -1.7276691 -0.1014463 -0.1841275 -0.1779257 -1.8918825 9 O -2.9651953 -0.0173989 -0.3218487 -0.0038105 -0.9710867 0.0394561 -0.1814278 0.0554033 -1.5560208 10 O -2.9651953 0.0173989 -0.3218487 0.0038105 -0.9710867 -0.0394561 -0.1814278 -0.0554033 -1.5560208 11 O -2.9651953 -0.0173989 -0.3218487 -0.0038105 -0.9710867 0.0394561 -0.1814278 0.0554033 -1.5560208 12 O -2.9651953 0.0173989 -0.3218487 0.0038105 -0.9710867 -0.0394561 -0.1814278 -0.0554033 -1.5560208 13 O -1.5774668 -0.0635349 0.0827126 -0.0797818 -1.5599463 -0.1206318 0.1432466 -0.2145264 -2.2201176 14 O -1.5774668 0.0635349 0.0827126 0.0797818 -1.5599463 0.1206318 0.1432466 0.2145264 -2.2201176 15 O -1.5774668 -0.0635349 0.0827126 -0.0797818 -1.5599463 -0.1206318 0.1432466 -0.2145264 -2.2201176 16 O -1.5774668 0.0635349 0.0827126 0.0797818 -1.5599463 0.1206318 0.1432466 0.2145264 -2.2201176 17 O -1.1923917 0.4627821 0.2083763 0.4495465 -2.1636724 -0.5704531 0.1572366 -0.4317952 -2.0913236 18 O -1.1923917 -0.4627821 0.2083763 -0.4495465 -2.1636724 0.5704531 0.1572366 0.4317952 -2.0913236 19 O -1.1923917 0.4627821 0.2083763 0.4495465 -2.1636724 -0.5704531 0.1572366 -0.4317952 -2.0913236 20 O -1.1923917 -0.4627821 0.2083763 -0.4495465 -2.1636724 0.5704531 0.1572366 0.4317952 -2.0913236 21 O -2.0773809 0.2088428 0.0144535 0.1796619 -1.7762662 0.0097376 0.0556739 -0.0633804 -1.6023990 22 O -2.0773809 -0.2088428 0.0144535 -0.1796619 -1.7762662 -0.0097376 0.0556739 0.0633804 -1.6023990 23 O -2.0773809 0.2088428 0.0144535 0.1796619 -1.7762662 0.0097376 0.0556739 -0.0633804 -1.6023990 24 O -2.0773809 -0.2088428 0.0144535 -0.1796619 -1.7762662 -0.0097376 0.0556739 0.0633804 -1.6023990 25 O -1.8309816 0.0705929 -0.1639039 0.0389197 -1.5974934 -0.0301152 -0.2994484 -0.0627245 -1.9067636 26 O -1.8309816 -0.0705929 -0.1639039 -0.0389197 -1.5974934 0.0301152 -0.2994484 0.0627245 -1.9067636 27 O -1.8309816 0.0705929 -0.1639039 0.0389197 -1.5974934 -0.0301152 -0.2994484 -0.0627245 -1.9067636 28 O -1.8309816 -0.0705929 -0.1639039 -0.0389197 -1.5974934 0.0301152 -0.2994484 0.0627245 -1.9067636 29 O -1.5443719 0.3056538 0.3972595 0.3343300 -2.2747364 -0.6645166 0.3777415 -0.5534080 -1.6102583 30 O -1.5443719 -0.3056538 0.3972595 -0.3343300 -2.2747364 0.6645166 0.3777415 0.5534080 -1.6102583 31 O -1.5443719 0.3056538 0.3972595 0.3343300 -2.2747364 -0.6645166 0.3777415 -0.5534080 -1.6102583 32 O -1.5443719 -0.3056538 0.3972595 -0.3343300 -2.2747364 0.6645166 0.3777415 0.5534080 -1.6102583 33 Si 3.1899694 0.2506274 -0.1201643 0.0604478 3.0295176 0.1591014 -0.0346780 -0.2244959 3.1760443 34 Si 3.1899694 -0.2506274 -0.1201643 -0.0604478 3.0295176 -0.1591014 -0.0346780 0.2244959 3.1760443 35 Si 3.1899694 0.2506274 -0.1201643 0.0604478 3.0295176 0.1591014 -0.0346780 -0.2244959 3.1760443 36 Si 3.1899694 -0.2506274 -0.1201643 -0.0604478 3.0295176 -0.1591014 -0.0346780 0.2244959 3.1760443 37 Si 3.0511050 -0.2096041 0.1124521 0.0364179 3.0408796 -0.0927880 -0.0911362 0.1789525 3.2581390 38 Si 3.0511050 0.2096041 0.1124521 -0.0364179 3.0408796 0.0927880 -0.0911362 -0.1789525 3.2581390 39 Si 3.0511050 -0.2096041 0.1124521 0.0364179 3.0408796 -0.0927880 -0.0911362 0.1789525 3.2581390 40 Si 3.0511050 0.2096041 0.1124521 -0.0364179 3.0408796 0.0927880 -0.0911362 -0.1789525 3.2581390 41 Si 2.7255256 0.1449176 -0.2405335 -0.0375631 2.8616609 0.0703432 -0.1131468 -0.2109192 3.0689101 42 Si 2.7255256 -0.1449176 -0.2405335 0.0375631 2.8616609 -0.0703432 -0.1131468 0.2109192 3.0689101 43 Si 2.7255256 0.1449176 -0.2405335 -0.0375631 2.8616609 0.0703432 -0.1131468 -0.2109192 3.0689101 44 Si 2.7255256 -0.1449176 -0.2405335 0.0375631 2.8616609 -0.0703432 -0.1131468 0.2109192 3.0689101 45 Ba 2.6170704 -0.0206974 -0.0325813 -0.0387813 2.6809729 -0.0396469 -0.0734999 -0.0102186 2.6771092 46 Ba 2.6170704 0.0206974 -0.0325813 0.0387813 2.6809729 0.0396469 -0.0734999 0.0102186 2.6771092 47 Ba 2.6170704 -0.0206974 -0.0325813 -0.0387813 2.6809729 -0.0396469 -0.0734999 -0.0102186 2.6771092 48 Ba 2.6170704 0.0206974 -0.0325813 0.0387813 2.6809729 0.0396469 -0.0734999 0.0102186 2.6771092 49 Ba 2.4962189 -0.0267585 0.1042528 -0.0058508 2.6795087 -0.0269973 0.1473239 0.0157758 2.5934181 50 Ba 2.4962189 0.0267585 0.1042528 0.0058508 2.6795087 0.0269973 0.1473239 -0.0157758 2.5934181 51 Ba 2.4962189 -0.0267585 0.1042528 -0.0058508 2.6795087 -0.0269973 0.1473239 0.0157758 2.5934181 52 Ba 2.4962189 0.0267585 0.1042528 0.0058508 2.6795087 0.0269973 0.1473239 -0.0157758 2.5934181 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 07:58:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:58:10]------------------------- Compiled with OpenMP support (max 32 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): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.504022140165324 0.000000000000000 0.000000000000000 b 0.000000000000000 4.686136240000001 0.000000000000000 c -0.864960304581116 0.000000000000000 13.955610702259930 Atomic positions (fractional): 1 O 0.99894608283392 0.84367526812209 0.21281079252899 15.999 2 O 0.00105391716608 0.34367526812209 0.28718920747101 15.999 3 O 0.00105391716608 0.15632473187791 0.78718920747101 15.999 4 O 0.99894608283392 0.65632473187791 0.71281079252899 15.999 5 O 0.96416648053706 0.26384409330382 0.08824214992581 15.999 6 O 0.03583351946295 0.76384409330382 0.41175785007419 15.999 7 O 0.03583351946295 0.73615590669618 0.91175785007419 15.999 8 O 0.96416648053706 0.23615590669618 0.58824214992581 15.999 9 O 0.15534778699195 0.20595394452889 0.17166086671887 15.999 10 O 0.84465221300805 0.70595394452889 0.32833913328113 15.999 11 O 0.84465221300805 0.79404605547111 0.82833913328113 15.999 12 O 0.15534778699195 0.29404605547111 0.67166086671887 15.999 13 O 0.28746531708393 0.26207457574512 0.33370614723941 15.999 14 O 0.71253468291607 0.76207457574512 0.16629385276059 15.999 15 O 0.71253468291607 0.73792542425488 0.66629385276059 15.999 16 O 0.28746531708393 0.23792542425488 0.83370614723941 15.999 17 O 0.31799293837204 0.84614044515478 0.21068196760394 15.999 18 O 0.68200706162796 0.34614044515478 0.28931803239606 15.999 19 O 0.68200706162796 0.15385955484522 0.78931803239606 15.999 20 O 0.31799293837204 0.65385955484522 0.71068196760394 15.999 21 O 0.47257337029468 0.75059632383787 0.58337665751031 15.999 22 O 0.52742662970532 0.25059632383787 0.91662334248969 15.999 23 O 0.52742662970532 0.24940367616213 0.41662334248969 15.999 24 O 0.47257337029468 0.74940367616213 0.08337665751031 15.999 25 O 0.26567475344307 0.76912583242675 0.52075454968261 15.999 26 O 0.73432524655693 0.26912583242675 0.97924545031739 15.999 27 O 0.73432524655693 0.23087416757325 0.47924545031739 15.999 28 O 0.26567475344307 0.73087416757325 0.02075454968261 15.999 29 O 0.35407717441052 0.15374699584866 0.64972479106390 15.999 30 O 0.64592282558948 0.65374699584866 0.85027520893610 15.999 31 O 0.64592282558948 0.84625300415134 0.35027520893610 15.999 32 O 0.35407717441052 0.34625300415134 0.14972479106390 15.999 33 Si 0.02619928140480 0.17857147789909 0.18702750642486 28.085 34 Si 0.97380071859520 0.67857147789909 0.31297249357514 28.085 35 Si 0.97380071859520 0.82142852210091 0.81297249357514 28.085 36 Si 0.02619928140480 0.32142852210091 0.68702750642486 28.085 37 Si 0.27690916671374 0.17788444807040 0.22325832105035 28.085 38 Si 0.72309083328626 0.67788444807040 0.27674167894965 28.085 39 Si 0.72309083328626 0.82211555192960 0.77674167894965 28.085 40 Si 0.27690916671374 0.32211555192960 0.72325832105035 28.085 41 Si 0.35137416398407 0.68384772215490 0.11024469516485 28.085 42 Si 0.64862583601594 0.18384772215490 0.38975530483516 28.085 43 Si 0.64862583601594 0.31615227784510 0.88975530483515 28.085 44 Si 0.35137416398407 0.81615227784510 0.61024469516485 28.085 45 Ba 0.14427024744898 0.24648089773239 0.46784549515355 137.327 46 Ba 0.85572975255102 0.74648089773239 0.03215450484645 137.327 47 Ba 0.85572975255102 0.75351910226761 0.53215450484645 137.327 48 Ba 0.14427024744898 0.25351910226761 0.96784549515355 137.327 49 Ba 0.41740329091182 0.72813948197780 0.38975897912011 137.327 50 Ba 0.58259670908818 0.22813948197780 0.11024102087989 137.327 51 Ba 0.58259670908818 0.27186051802220 0.61024102087989 137.327 52 Ba 0.41740329091182 0.77186051802220 0.88975897912011 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.504022140165324 0.000000000000000 0.000000000000000 b 0.000000000000000 9.372272480000001 0.000000000000000 c -0.864960304581116 0.000000000000000 13.955610702259930 Atomic positions (fractional): 1 O 0.99894608283392 0.42183763406104 0.21281079252899 15.999 > 1 2 O 0.99894608283392 0.92183763406104 0.21281079252899 15.999 > 1 3 O 0.00105391716608 0.17183763406104 0.28718920747101 15.999 > 3 4 O 0.00105391716608 0.67183763406104 0.28718920747101 15.999 > 3 5 O 0.00105391716608 0.07816236593896 0.78718920747101 15.999 > 5 6 O 0.00105391716608 0.57816236593896 0.78718920747101 15.999 > 5 7 O 0.99894608283392 0.32816236593896 0.71281079252899 15.999 > 7 8 O 0.99894608283392 0.82816236593896 0.71281079252899 15.999 > 7 9 O 0.96416648053706 0.13192204665191 0.08824214992581 15.999 > 9 10 O 0.96416648053706 0.63192204665191 0.08824214992581 15.999 > 9 11 O 0.03583351946295 0.38192204665191 0.41175785007419 15.999 > 11 12 O 0.03583351946295 0.88192204665191 0.41175785007419 15.999 > 11 13 O 0.03583351946295 0.36807795334809 0.91175785007419 15.999 > 13 14 O 0.03583351946295 0.86807795334809 0.91175785007419 15.999 > 13 15 O 0.96416648053706 0.11807795334809 0.58824214992581 15.999 > 15 16 O 0.96416648053706 0.61807795334809 0.58824214992581 15.999 > 15 17 O 0.15534778699195 0.10297697226444 0.17166086671887 15.999 > 17 18 O 0.15534778699195 0.60297697226444 0.17166086671887 15.999 > 17 19 O 0.84465221300805 0.35297697226444 0.32833913328113 15.999 > 19 20 O 0.84465221300805 0.85297697226444 0.32833913328113 15.999 > 19 21 O 0.84465221300805 0.39702302773556 0.82833913328113 15.999 > 21 22 O 0.84465221300805 0.89702302773556 0.82833913328113 15.999 > 21 23 O 0.15534778699195 0.14702302773556 0.67166086671887 15.999 > 23 24 O 0.15534778699195 0.64702302773556 0.67166086671887 15.999 > 23 25 O 0.28746531708393 0.13103728787256 0.33370614723941 15.999 > 25 26 O 0.28746531708393 0.63103728787256 0.33370614723941 15.999 > 25 27 O 0.71253468291607 0.38103728787256 0.16629385276059 15.999 > 27 28 O 0.71253468291607 0.88103728787256 0.16629385276059 15.999 > 27 29 O 0.71253468291607 0.36896271212744 0.66629385276059 15.999 > 29 30 O 0.71253468291607 0.86896271212744 0.66629385276059 15.999 > 29 31 O 0.28746531708393 0.11896271212744 0.83370614723941 15.999 > 31 32 O 0.28746531708393 0.61896271212744 0.83370614723941 15.999 > 31 33 O 0.31799293837204 0.42307022257739 0.21068196760394 15.999 > 33 34 O 0.31799293837204 0.92307022257739 0.21068196760394 15.999 > 33 35 O 0.68200706162796 0.17307022257739 0.28931803239606 15.999 > 35 36 O 0.68200706162796 0.67307022257739 0.28931803239606 15.999 > 35 37 O 0.68200706162796 0.07692977742261 0.78931803239606 15.999 > 37 38 O 0.68200706162796 0.57692977742261 0.78931803239606 15.999 > 37 39 O 0.31799293837204 0.32692977742261 0.71068196760394 15.999 > 39 40 O 0.31799293837204 0.82692977742261 0.71068196760394 15.999 > 39 41 O 0.47257337029468 0.37529816191894 0.58337665751031 15.999 > 41 42 O 0.47257337029468 0.87529816191894 0.58337665751031 15.999 > 41 43 O 0.52742662970532 0.12529816191894 0.91662334248969 15.999 > 43 44 O 0.52742662970532 0.62529816191894 0.91662334248969 15.999 > 43 45 O 0.52742662970532 0.12470183808106 0.41662334248969 15.999 > 45 46 O 0.52742662970532 0.62470183808106 0.41662334248969 15.999 > 45 47 O 0.47257337029468 0.37470183808106 0.08337665751031 15.999 > 47 48 O 0.47257337029468 0.87470183808106 0.08337665751031 15.999 > 47 49 O 0.26567475344307 0.38456291621338 0.52075454968261 15.999 > 49 50 O 0.26567475344307 0.88456291621338 0.52075454968261 15.999 > 49 51 O 0.73432524655693 0.13456291621337 0.97924545031739 15.999 > 51 52 O 0.73432524655693 0.63456291621338 0.97924545031739 15.999 > 51 53 O 0.73432524655693 0.11543708378662 0.47924545031739 15.999 > 53 54 O 0.73432524655693 0.61543708378662 0.47924545031739 15.999 > 53 55 O 0.26567475344307 0.36543708378662 0.02075454968261 15.999 > 55 56 O 0.26567475344307 0.86543708378662 0.02075454968261 15.999 > 55 57 O 0.35407717441052 0.07687349792433 0.64972479106390 15.999 > 57 58 O 0.35407717441052 0.57687349792433 0.64972479106390 15.999 > 57 59 O 0.64592282558948 0.32687349792433 0.85027520893610 15.999 > 59 60 O 0.64592282558948 0.82687349792433 0.85027520893610 15.999 > 59 61 O 0.64592282558948 0.42312650207567 0.35027520893610 15.999 > 61 62 O 0.64592282558948 0.92312650207567 0.35027520893610 15.999 > 61 63 O 0.35407717441052 0.17312650207567 0.14972479106390 15.999 > 63 64 O 0.35407717441052 0.67312650207567 0.14972479106390 15.999 > 63 65 Si 0.02619928140480 0.08928573894954 0.18702750642486 28.085 > 65 66 Si 0.02619928140480 0.58928573894954 0.18702750642486 28.085 > 65 67 Si 0.97380071859520 0.33928573894954 0.31297249357514 28.085 > 67 68 Si 0.97380071859520 0.83928573894954 0.31297249357514 28.085 > 67 69 Si 0.97380071859520 0.41071426105046 0.81297249357514 28.085 > 69 70 Si 0.97380071859520 0.91071426105046 0.81297249357514 28.085 > 69 71 Si 0.02619928140480 0.16071426105046 0.68702750642486 28.085 > 71 72 Si 0.02619928140480 0.66071426105046 0.68702750642486 28.085 > 71 73 Si 0.27690916671374 0.08894222403520 0.22325832105035 28.085 > 73 74 Si 0.27690916671374 0.58894222403520 0.22325832105035 28.085 > 73 75 Si 0.72309083328626 0.33894222403520 0.27674167894965 28.085 > 75 76 Si 0.72309083328626 0.83894222403520 0.27674167894965 28.085 > 75 77 Si 0.72309083328626 0.41105777596480 0.77674167894965 28.085 > 77 78 Si 0.72309083328626 0.91105777596480 0.77674167894965 28.085 > 77 79 Si 0.27690916671374 0.16105777596480 0.72325832105035 28.085 > 79 80 Si 0.27690916671374 0.66105777596480 0.72325832105035 28.085 > 79 81 Si 0.35137416398407 0.34192386107745 0.11024469516485 28.085 > 81 82 Si 0.35137416398407 0.84192386107745 0.11024469516485 28.085 > 81 83 Si 0.64862583601594 0.09192386107745 0.38975530483516 28.085 > 83 84 Si 0.64862583601594 0.59192386107745 0.38975530483516 28.085 > 83 85 Si 0.64862583601594 0.15807613892255 0.88975530483515 28.085 > 85 86 Si 0.64862583601594 0.65807613892255 0.88975530483515 28.085 > 85 87 Si 0.35137416398407 0.40807613892255 0.61024469516485 28.085 > 87 88 Si 0.35137416398407 0.90807613892255 0.61024469516485 28.085 > 87 89 Ba 0.14427024744898 0.12324044886619 0.46784549515355 137.327 > 89 90 Ba 0.14427024744898 0.62324044886619 0.46784549515355 137.327 > 89 91 Ba 0.85572975255102 0.37324044886619 0.03215450484645 137.327 > 91 92 Ba 0.85572975255102 0.87324044886619 0.03215450484645 137.327 > 91 93 Ba 0.85572975255102 0.37675955113381 0.53215450484645 137.327 > 93 94 Ba 0.85572975255102 0.87675955113381 0.53215450484645 137.327 > 93 95 Ba 0.14427024744898 0.12675955113381 0.96784549515355 137.327 > 95 96 Ba 0.14427024744898 0.62675955113381 0.96784549515355 137.327 > 95 97 Ba 0.41740329091182 0.36406974098890 0.38975897912011 137.327 > 97 98 Ba 0.41740329091182 0.86406974098890 0.38975897912011 137.327 > 97 99 Ba 0.58259670908818 0.11406974098890 0.11024102087989 137.327 > 99 100 Ba 0.58259670908818 0.61406974098890 0.11024102087989 137.327 > 99 101 Ba 0.58259670908818 0.13593025901110 0.61024102087989 137.327 > 101 102 Ba 0.58259670908818 0.63593025901110 0.61024102087989 137.327 > 101 103 Ba 0.41740329091182 0.38593025901110 0.88975897912011 137.327 > 103 104 Ba 0.41740329091182 0.88593025901110 0.88975897912011 137.327 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8102304 0.0000000 -0.0077367 0.0000000 2.8382662 0.0000000 -0.0077357 0.0000000 2.9176827 -------------------------- Born effective charges -------------------------- 1 O -1.1956911 -0.4172920 0.1926795 -0.3264299 -2.2216693 0.6902859 0.0962421 0.5722122 -1.8948554 2 O -1.1956911 0.4172920 0.1926795 0.3264299 -2.2216693 -0.6902859 0.0962421 -0.5722122 -1.8948554 3 O -1.1956911 -0.4172920 0.1926795 -0.3264299 -2.2216693 0.6902859 0.0962421 0.5722122 -1.8948554 4 O -1.1956911 0.4172920 0.1926795 0.3264299 -2.2216693 -0.6902859 0.0962421 -0.5722122 -1.8948554 5 O -1.6964100 0.0957389 -0.2331545 0.0901874 -1.7276691 0.1014463 -0.1841275 0.1779257 -1.8918825 6 O -1.6964100 -0.0957389 -0.2331545 -0.0901874 -1.7276691 -0.1014463 -0.1841275 -0.1779257 -1.8918825 7 O -1.6964100 0.0957389 -0.2331545 0.0901874 -1.7276691 0.1014463 -0.1841275 0.1779257 -1.8918825 8 O -1.6964100 -0.0957389 -0.2331545 -0.0901874 -1.7276691 -0.1014463 -0.1841275 -0.1779257 -1.8918825 9 O -2.9651953 -0.0173989 -0.3218487 -0.0038105 -0.9710867 0.0394561 -0.1814278 0.0554033 -1.5560208 10 O -2.9651953 0.0173989 -0.3218487 0.0038105 -0.9710867 -0.0394561 -0.1814278 -0.0554033 -1.5560208 11 O -2.9651953 -0.0173989 -0.3218487 -0.0038105 -0.9710867 0.0394561 -0.1814278 0.0554033 -1.5560208 12 O -2.9651953 0.0173989 -0.3218487 0.0038105 -0.9710867 -0.0394561 -0.1814278 -0.0554033 -1.5560208 13 O -1.5774668 -0.0635349 0.0827126 -0.0797818 -1.5599463 -0.1206318 0.1432466 -0.2145264 -2.2201176 14 O -1.5774668 0.0635349 0.0827126 0.0797818 -1.5599463 0.1206318 0.1432466 0.2145264 -2.2201176 15 O -1.5774668 -0.0635349 0.0827126 -0.0797818 -1.5599463 -0.1206318 0.1432466 -0.2145264 -2.2201176 16 O -1.5774668 0.0635349 0.0827126 0.0797818 -1.5599463 0.1206318 0.1432466 0.2145264 -2.2201176 17 O -1.1923917 0.4627821 0.2083763 0.4495465 -2.1636724 -0.5704531 0.1572366 -0.4317952 -2.0913236 18 O -1.1923917 -0.4627821 0.2083763 -0.4495465 -2.1636724 0.5704531 0.1572366 0.4317952 -2.0913236 19 O -1.1923917 0.4627821 0.2083763 0.4495465 -2.1636724 -0.5704531 0.1572366 -0.4317952 -2.0913236 20 O -1.1923917 -0.4627821 0.2083763 -0.4495465 -2.1636724 0.5704531 0.1572366 0.4317952 -2.0913236 21 O -2.0773809 0.2088428 0.0144535 0.1796619 -1.7762662 0.0097376 0.0556739 -0.0633804 -1.6023990 22 O -2.0773809 -0.2088428 0.0144535 -0.1796619 -1.7762662 -0.0097376 0.0556739 0.0633804 -1.6023990 23 O -2.0773809 0.2088428 0.0144535 0.1796619 -1.7762662 0.0097376 0.0556739 -0.0633804 -1.6023990 24 O -2.0773809 -0.2088428 0.0144535 -0.1796619 -1.7762662 -0.0097376 0.0556739 0.0633804 -1.6023990 25 O -1.8309816 0.0705929 -0.1639039 0.0389197 -1.5974934 -0.0301152 -0.2994484 -0.0627245 -1.9067636 26 O -1.8309816 -0.0705929 -0.1639039 -0.0389197 -1.5974934 0.0301152 -0.2994484 0.0627245 -1.9067636 27 O -1.8309816 0.0705929 -0.1639039 0.0389197 -1.5974934 -0.0301152 -0.2994484 -0.0627245 -1.9067636 28 O -1.8309816 -0.0705929 -0.1639039 -0.0389197 -1.5974934 0.0301152 -0.2994484 0.0627245 -1.9067636 29 O -1.5443719 0.3056538 0.3972595 0.3343300 -2.2747364 -0.6645166 0.3777415 -0.5534080 -1.6102583 30 O -1.5443719 -0.3056538 0.3972595 -0.3343300 -2.2747364 0.6645166 0.3777415 0.5534080 -1.6102583 31 O -1.5443719 0.3056538 0.3972595 0.3343300 -2.2747364 -0.6645166 0.3777415 -0.5534080 -1.6102583 32 O -1.5443719 -0.3056538 0.3972595 -0.3343300 -2.2747364 0.6645166 0.3777415 0.5534080 -1.6102583 33 Si 3.1899694 0.2506274 -0.1201643 0.0604478 3.0295176 0.1591014 -0.0346780 -0.2244959 3.1760443 34 Si 3.1899694 -0.2506274 -0.1201643 -0.0604478 3.0295176 -0.1591014 -0.0346780 0.2244959 3.1760443 35 Si 3.1899694 0.2506274 -0.1201643 0.0604478 3.0295176 0.1591014 -0.0346780 -0.2244959 3.1760443 36 Si 3.1899694 -0.2506274 -0.1201643 -0.0604478 3.0295176 -0.1591014 -0.0346780 0.2244959 3.1760443 37 Si 3.0511050 -0.2096041 0.1124521 0.0364179 3.0408796 -0.0927880 -0.0911362 0.1789525 3.2581390 38 Si 3.0511050 0.2096041 0.1124521 -0.0364179 3.0408796 0.0927880 -0.0911362 -0.1789525 3.2581390 39 Si 3.0511050 -0.2096041 0.1124521 0.0364179 3.0408796 -0.0927880 -0.0911362 0.1789525 3.2581390 40 Si 3.0511050 0.2096041 0.1124521 -0.0364179 3.0408796 0.0927880 -0.0911362 -0.1789525 3.2581390 41 Si 2.7255256 0.1449176 -0.2405335 -0.0375631 2.8616609 0.0703432 -0.1131468 -0.2109192 3.0689101 42 Si 2.7255256 -0.1449176 -0.2405335 0.0375631 2.8616609 -0.0703432 -0.1131468 0.2109192 3.0689101 43 Si 2.7255256 0.1449176 -0.2405335 -0.0375631 2.8616609 0.0703432 -0.1131468 -0.2109192 3.0689101 44 Si 2.7255256 -0.1449176 -0.2405335 0.0375631 2.8616609 -0.0703432 -0.1131468 0.2109192 3.0689101 45 Ba 2.6170704 -0.0206974 -0.0325813 -0.0387813 2.6809729 -0.0396469 -0.0734999 -0.0102186 2.6771092 46 Ba 2.6170704 0.0206974 -0.0325813 0.0387813 2.6809729 0.0396469 -0.0734999 0.0102186 2.6771092 47 Ba 2.6170704 -0.0206974 -0.0325813 -0.0387813 2.6809729 -0.0396469 -0.0734999 -0.0102186 2.6771092 48 Ba 2.6170704 0.0206974 -0.0325813 0.0387813 2.6809729 0.0396469 -0.0734999 0.0102186 2.6771092 49 Ba 2.4962189 -0.0267585 0.1042528 -0.0058508 2.6795087 -0.0269973 0.1473239 0.0157758 2.5934181 50 Ba 2.4962189 0.0267585 0.1042528 0.0058508 2.6795087 0.0269973 0.1473239 -0.0157758 2.5934181 51 Ba 2.4962189 -0.0267585 0.1042528 -0.0058508 2.6795087 -0.0269973 0.1473239 0.0157758 2.5934181 52 Ba 2.4962189 0.0267585 0.1042528 0.0058508 2.6795087 0.0269973 0.1473239 -0.0157758 2.5934181 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 11 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 297, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.504 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.727 ( 0.000 0.000 0.000) 0.000 1.765 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.222 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.795 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 3.843 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.308 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.644 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 5.992 ( 0.000 0.000 0.000) 0.000 6.285 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.365 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 6.729 ( 0.000 0.000 0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.797 ( 0.000 0.000 0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.085 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 8.344 ( 0.000 0.000 0.000) 0.000 8.441 ( 0.000 0.000 0.000) 0.000 8.644 ( 0.000 0.000 0.000) 0.000 8.757 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 0.000) 0.000 8.982 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.396 ( 0.000 0.000 0.000) 0.000 9.405 ( 0.000 0.000 0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 10.164 ( 0.000 0.000 0.000) 0.000 10.187 ( 0.000 0.000 0.000) 0.000 10.372 ( 0.000 0.000 0.000) 0.000 10.492 ( 0.000 0.000 0.000) 0.000 10.970 ( 0.000 0.000 0.000) 0.000 11.045 ( 0.000 0.000 0.000) 0.000 11.148 ( 0.000 0.000 0.000) 0.000 11.207 ( 0.000 0.000 0.000) 0.000 11.287 ( 0.000 0.000 0.000) 0.000 11.401 ( 0.000 0.000 0.000) 0.000 12.185 ( 0.000 0.000 0.000) 0.000 12.408 ( 0.000 0.000 0.000) 0.000 12.488 ( 0.000 0.000 0.000) 0.000 12.511 ( 0.000 0.000 0.000) 0.000 12.901 ( 0.000 0.000 0.000) 0.000 12.932 ( 0.000 0.000 0.000) 0.000 13.146 ( 0.000 0.000 0.000) 0.000 13.265 ( 0.000 0.000 0.000) 0.000 13.503 ( 0.000 0.000 0.000) 0.000 13.521 ( 0.000 0.000 0.000) 0.000 13.615 ( 0.000 0.000 0.000) 0.000 13.632 ( 0.000 0.000 0.000) 0.000 14.189 ( 0.000 0.000 0.000) 0.000 14.257 ( 0.000 0.000 0.000) 0.000 14.376 ( 0.000 0.000 0.000) 0.000 14.388 ( 0.000 0.000 0.000) 0.000 14.702 ( 0.000 0.000 0.000) 0.000 14.814 ( 0.000 0.000 0.000) 0.000 15.163 ( 0.000 0.000 0.000) 0.000 15.186 ( 0.000 0.000 0.000) 0.000 15.214 ( 0.000 0.000 0.000) 0.000 15.341 ( 0.000 0.000 0.000) 0.000 15.608 ( 0.000 0.000 0.000) 0.000 15.723 ( 0.000 0.000 0.000) 0.000 17.067 ( 0.000 0.000 0.000) 0.000 17.090 ( 0.000 0.000 0.000) 0.000 18.154 ( 0.000 0.000 0.000) 0.000 18.330 ( 0.000 0.000 0.000) 0.000 20.504 ( 0.000 0.000 0.000) 0.000 20.559 ( 0.000 0.000 0.000) 0.000 21.439 ( 0.000 0.000 0.000) 0.000 21.458 ( 0.000 0.000 0.000) 0.000 21.815 ( 0.000 0.000 0.000) 0.000 21.826 ( 0.000 0.000 0.000) 0.000 21.976 ( 0.000 0.000 0.000) 0.000 22.037 ( 0.000 0.000 0.000) 0.000 22.219 ( 0.000 0.000 0.000) 0.000 22.401 ( 0.000 0.000 0.000) 0.000 27.077 ( 0.000 0.000 0.000) 0.000 27.114 ( 0.000 0.000 0.000) 0.000 27.222 ( 0.000 0.000 0.000) 0.000 27.345 ( 0.000 0.000 0.000) 0.000 27.407 ( 0.000 0.000 0.000) 0.000 27.431 ( 0.000 0.000 0.000) 0.000 27.477 ( 0.000 0.000 0.000) 0.000 27.550 ( 0.000 0.000 0.000) 0.000 28.696 ( 0.000 0.000 0.000) 0.000 28.704 ( 0.000 0.000 0.000) 0.000 28.717 ( 0.000 0.000 0.000) 0.000 28.772 ( 0.000 0.000 0.000) 0.000 29.324 ( 0.000 0.000 0.000) 0.000 29.437 ( 0.000 0.000 0.000) 0.000 29.602 ( 0.000 0.000 0.000) 0.000 29.604 ( 0.000 0.000 0.000) 0.000 29.761 ( 0.000 0.000 0.000) 0.000 29.850 ( 0.000 0.000 0.000) 0.000 29.850 ( 0.000 0.000 0.000) 0.000 29.913 ( 0.000 0.000 0.000) 0.000 30.719 ( 0.000 0.000 0.000) 0.000 30.842 ( 0.000 0.000 0.000) 0.000 30.886 ( 0.000 0.000 0.000) 0.000 30.946 ( 0.000 0.000 0.000) 0.000 31.096 ( 0.000 0.000 0.000) 0.000 31.288 ( 0.000 0.000 0.000) 0.000 31.359 ( 0.000 0.000 0.000) 0.000 31.755 ( 0.000 0.000 0.000) 0.000 32.176 ( 0.000 0.000 0.000) 0.000 32.256 ( 0.000 0.000 0.000) 0.000 32.307 ( 0.000 0.000 0.000) 0.000 33.979 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 26.153 0.000 -10.985) 28.366 0.583 ( 27.052 0.000 2.016) 27.127 1.024 ( 48.209 0.000 12.192) 49.727 1.381 ( -11.189 0.000 -3.622) 11.761 1.478 ( -18.804 0.000 5.504) 19.593 1.695 ( -0.055 0.000 -4.698) 4.698 1.738 ( 3.294 0.000 9.499) 10.054 1.773 ( 1.476 0.000 -7.827) 7.965 1.858 ( 1.512 0.000 -0.615) 1.632 1.947 ( 1.943 0.000 2.543) 3.200 1.972 ( -1.166 0.000 6.450) 6.555 2.026 ( -0.060 0.000 -6.982) 6.982 2.059 ( 7.884 0.000 1.705) 8.066 2.165 ( -4.337 0.000 -0.162) 4.340 2.294 ( -7.758 0.000 -0.815) 7.801 2.308 ( 10.465 0.000 -3.407) 11.006 2.444 ( -8.301 0.000 -2.717) 8.734 2.544 ( -4.892 0.000 -2.963) 5.719 2.732 ( -8.648 0.000 -4.554) 9.774 2.755 ( -8.356 0.000 -3.279) 8.977 2.806 ( -9.394 0.000 4.602) 10.461 2.811 ( 2.955 0.000 -0.222) 2.963 2.911 ( -9.340 0.000 0.228) 9.343 2.942 ( -1.569 0.000 2.799) 3.209 3.043 ( 2.736 0.000 8.022) 8.476 3.059 ( 3.499 0.000 2.080) 4.071 3.138 ( -2.509 0.000 1.855) 3.120 3.201 ( -2.170 0.000 0.620) 2.257 3.241 ( 7.634 0.000 -1.521) 7.784 3.336 ( -0.701 0.000 -3.690) 3.756 3.397 ( -7.516 0.000 0.594) 7.539 3.474 ( 0.780 0.000 6.662) 6.708 3.528 ( 1.907 0.000 -1.376) 2.351 3.621 ( -2.973 0.000 4.405) 5.314 3.680 ( -2.136 0.000 -7.703) 7.993 3.809 ( 2.364 0.000 -7.020) 7.407 4.116 ( 10.847 0.000 12.179) 16.309 4.338 ( 4.765 0.000 -5.093) 6.974 4.338 ( 4.049 0.000 -4.797) 6.278 4.388 ( 9.321 0.000 -5.978) 11.073 4.506 ( 9.669 0.000 4.883) 10.832 4.668 ( -6.260 0.000 -5.877) 8.587 4.804 ( -3.658 0.000 -2.982) 4.720 4.903 ( 2.043 0.000 17.622) 17.740 5.190 ( -11.284 0.000 -12.866) 17.114 5.217 ( -3.487 0.000 3.760) 5.128 5.427 ( 1.698 0.000 4.922) 5.207 5.617 ( -1.746 0.000 0.839) 1.937 5.758 ( 6.169 0.000 -3.196) 6.947 5.933 ( -2.551 0.000 6.876) 7.334 6.047 ( 5.419 0.000 3.274) 6.331 6.241 ( 1.879 0.000 21.415) 21.497 6.286 ( 0.045 0.000 0.901) 0.903 6.384 ( 4.462 0.000 -3.938) 5.952 6.431 ( -3.908 0.000 -14.321) 14.845 6.494 ( -0.026 0.000 -1.998) 1.998 6.715 ( 0.363 0.000 4.608) 4.622 6.826 ( 9.645 0.000 -4.198) 10.519 6.898 ( -3.724 0.000 -1.724) 4.103 7.183 ( -4.049 0.000 2.396) 4.705 7.249 ( -5.934 0.000 1.046) 6.025 7.342 ( -5.704 0.000 -1.437) 5.883 7.836 ( 2.351 0.000 0.508) 2.405 8.061 ( -1.961 0.000 1.413) 2.417 8.101 ( 2.203 0.000 -1.109) 2.466 8.294 ( -3.842 0.000 1.918) 4.294 8.360 ( 0.017 0.000 -3.047) 3.047 8.374 ( -4.974 0.000 -0.715) 5.025 8.646 ( 0.325 0.000 1.177) 1.221 8.769 ( -3.266 0.000 -0.588) 3.319 8.790 ( 4.022 0.000 -0.003) 4.022 8.964 ( -1.525 0.000 -1.382) 2.058 9.329 ( 4.566 0.000 -1.885) 4.940 9.343 ( -5.686 0.000 2.943) 6.403 9.409 ( 0.887 0.000 -0.528) 1.033 9.602 ( 4.679 0.000 2.140) 5.145 10.133 ( -2.328 0.000 0.671) 2.423 10.178 ( -0.855 0.000 -1.712) 1.914 10.394 ( 1.510 0.000 0.034) 1.510 10.514 ( 1.544 0.000 -0.432) 1.603 10.982 ( -5.086 0.000 -0.325) 5.097 11.001 ( 1.771 0.000 -0.146) 1.777 11.164 ( 2.711 0.000 -1.513) 3.105 11.233 ( -1.364 0.000 3.082) 3.370 11.290 ( 1.709 0.000 2.899) 3.365 11.500 ( 5.477 0.000 -3.854) 6.697 12.124 ( -4.622 0.000 -0.697) 4.674 12.467 ( -1.675 0.000 2.536) 3.039 12.502 ( -0.338 0.000 -0.706) 0.783 12.611 ( 1.910 0.000 -8.607) 8.817 12.959 ( 2.497 0.000 -0.442) 2.536 13.079 ( -3.367 0.000 2.826) 4.396 13.183 ( -5.153 0.000 3.233) 6.084 13.242 ( 0.081 0.000 -8.285) 8.285 13.540 ( 1.699 0.000 1.633) 2.357 13.613 ( 2.430 0.000 2.686) 3.622 13.643 ( 0.717 0.000 2.721) 2.814 13.691 ( 9.247 0.000 -6.517) 11.313 14.168 ( -1.826 0.000 1.649) 2.460 14.253 ( -0.257 0.000 -0.175) 0.311 14.382 ( -0.759 0.000 0.927) 1.198 14.651 ( -0.436 0.000 -3.918) 3.942 14.790 ( -1.869 0.000 0.113) 1.873 14.978 ( -0.618 0.000 -0.025) 0.618 15.177 ( 0.970 0.000 1.766) 2.015 15.222 ( 0.821 0.000 0.423) 0.924 15.253 ( 0.873 0.000 -19.125) 19.145 15.307 ( -2.756 0.000 0.337) 2.777 15.643 ( 2.537 0.000 -0.490) 2.583 15.734 ( 0.911 0.000 -0.944) 1.312 17.178 ( 7.579 0.000 -1.907) 7.816 17.256 ( -0.291 0.000 0.428) 0.517 18.146 ( -0.733 0.000 0.632) 0.968 18.241 ( -7.479 0.000 0.425) 7.491 20.554 ( 4.044 0.000 -0.658) 4.097 20.623 ( 0.033 0.000 4.913) 4.913 21.436 ( -0.239 0.000 -0.612) 0.657 21.478 ( 1.634 0.000 1.256) 2.061 21.757 ( -3.097 0.000 -6.406) 7.116 21.853 ( -7.002 0.000 0.540) 7.022 21.884 ( 1.960 0.000 -0.283) 1.981 22.113 ( 3.288 0.000 1.190) 3.497 22.219 ( 0.009 0.000 -0.252) 0.252 22.388 ( -1.027 0.000 -0.113) 1.033 27.051 ( -1.452 0.000 -1.153) 1.854 27.146 ( 1.562 0.000 -2.127) 2.639 27.158 ( -3.953 0.000 -0.676) 4.010 27.370 ( 1.122 0.000 0.323) 1.168 27.429 ( -0.114 0.000 0.687) 0.696 27.436 ( 0.128 0.000 1.351) 1.357 27.474 ( -0.132 0.000 -0.141) 0.193 27.580 ( 1.919 0.000 1.819) 2.644 28.705 ( 0.207 0.000 -0.338) 0.396 28.719 ( 0.120 0.000 0.041) 0.127 28.772 ( -0.246 0.000 2.155) 2.169 29.193 ( -1.502 0.000 3.048) 3.398 29.349 ( 2.449 0.000 -0.602) 2.522 29.459 ( 1.900 0.000 1.327) 2.318 29.570 ( -2.995 0.000 -4.194) 5.154 29.577 ( -2.992 0.000 -1.803) 3.493 29.714 ( -2.247 0.000 0.174) 2.254 29.881 ( 1.904 0.000 -0.051) 1.905 29.989 ( 6.192 0.000 2.519) 6.685 30.291 ( -5.549 0.000 7.941) 9.688 30.848 ( -0.051 0.000 1.187) 1.188 30.855 ( 0.970 0.000 0.937) 1.348 31.008 ( -0.345 0.000 0.040) 0.347 31.076 ( -1.370 0.000 -1.058) 1.731 31.284 ( 2.154 0.000 3.159) 3.823 31.341 ( 4.075 0.000 -6.307) 7.509 31.579 ( 1.116 0.000 -57.896) 57.907 31.748 ( -0.778 0.000 -6.358) 6.406 32.312 ( 10.964 0.000 3.822) 11.611 32.320 ( 1.148 0.000 -1.816) 2.148 32.911 ( -4.306 0.000 57.788) 57.948 33.863 ( -9.639 0.000 -2.086) 9.862 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.000 0.000 -0.000) 0.000 1.060 ( -0.000 0.000 -0.000) 0.000 1.064 ( 0.000 0.000 0.000) 0.000 1.099 ( -0.000 0.000 -0.000) 0.000 1.685 ( 0.000 0.000 0.000) 0.000 1.744 ( 0.000 0.000 0.000) 0.000 1.794 ( 0.000 0.000 0.000) 0.000 1.878 ( -0.000 0.000 -0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.946 ( 0.000 0.000 -0.000) 0.000 2.080 ( -0.000 0.000 -0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 -0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.514 ( -0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 -0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 -0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 -0.000) 0.000 3.073 ( 0.000 0.000 -0.000) 0.000 3.106 ( 0.000 0.000 -0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 -0.000) 0.000 3.324 ( 0.000 0.000 -0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.617 ( -0.000 0.000 -0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 -0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 4.938 ( -0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 -0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 -0.000) 0.000 5.878 ( -0.000 0.000 0.000) 0.000 5.879 ( 0.000 0.000 -0.000) 0.000 6.150 ( 0.000 0.000 -0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.313 ( 0.000 0.000 0.000) 0.000 6.323 ( -0.000 0.000 -0.000) 0.000 6.430 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.827 ( -0.000 0.000 -0.000) 0.000 7.015 ( 0.000 0.000 -0.000) 0.000 7.083 ( -0.000 0.000 0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 8.038 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 -0.000) 0.000 8.337 ( 0.000 0.000 0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 8.721 ( 0.000 0.000 0.000) 0.000 8.886 ( 0.000 0.000 -0.000) 0.000 8.921 ( 0.000 0.000 0.000) 0.000 9.261 ( 0.000 0.000 0.000) 0.000 9.389 ( 0.000 0.000 0.000) 0.000 9.414 ( 0.000 0.000 0.000) 0.000 9.664 ( 0.000 0.000 0.000) 0.000 10.105 ( 0.000 0.000 0.000) 0.000 10.168 ( 0.000 0.000 0.000) 0.000 10.412 ( 0.000 0.000 0.000) 0.000 10.531 ( 0.000 0.000 -0.000) 0.000 10.919 ( 0.000 0.000 0.000) 0.000 11.014 ( 0.000 0.000 0.000) 0.000 11.205 ( 0.000 0.000 0.000) 0.000 11.240 ( 0.000 0.000 0.000) 0.000 11.304 ( 0.000 0.000 0.000) 0.000 11.552 ( 0.000 0.000 -0.000) 0.000 12.067 ( 0.000 0.000 0.000) 0.000 12.449 ( 0.000 0.000 -0.000) 0.000 12.500 ( 0.000 0.000 0.000) 0.000 12.625 ( 0.000 0.000 -0.000) 0.000 12.999 ( 0.000 0.000 0.000) 0.000 13.050 ( 0.000 0.000 -0.000) 0.000 13.120 ( 0.000 0.000 0.000) 0.000 13.220 ( 0.000 0.000 -0.000) 0.000 13.585 ( 0.000 0.000 0.000) 0.000 13.629 ( 0.000 0.000 0.000) 0.000 13.637 ( 0.000 0.000 -0.000) 0.000 13.814 ( 0.000 0.000 0.000) 0.000 14.145 ( 0.000 0.000 0.000) 0.000 14.250 ( 0.000 0.000 -0.000) 0.000 14.369 ( 0.000 0.000 0.000) 0.000 14.642 ( 0.000 0.000 0.000) 0.000 14.767 ( 0.000 0.000 0.000) 0.000 14.971 ( 0.000 0.000 -0.000) 0.000 15.191 ( 0.000 0.000 0.000) 0.000 15.244 ( 0.000 0.000 0.000) 0.000 15.248 ( 0.000 0.000 -0.000) 0.000 15.262 ( 0.000 0.000 -0.000) 0.000 15.673 ( 0.000 0.000 0.000) 0.000 15.745 ( 0.000 0.000 0.000) 0.000 17.253 ( 0.000 0.000 -0.000) 0.000 17.283 ( 0.000 0.000 0.000) 0.000 18.137 ( 0.000 0.000 -0.000) 0.000 18.137 ( 0.000 0.000 0.000) 0.000 20.606 ( 0.000 0.000 0.000) 0.000 20.627 ( 0.000 0.000 0.000) 0.000 21.432 ( 0.000 0.000 0.000) 0.000 21.502 ( 0.000 0.000 -0.000) 0.000 21.714 ( 0.000 0.000 0.000) 0.000 21.773 ( 0.000 0.000 -0.000) 0.000 21.904 ( 0.000 0.000 -0.000) 0.000 22.148 ( 0.000 0.000 0.000) 0.000 22.219 ( 0.000 0.000 0.000) 0.000 22.374 ( 0.000 0.000 0.000) 0.000 27.034 ( 0.000 0.000 0.000) 0.000 27.114 ( 0.000 0.000 -0.000) 0.000 27.162 ( 0.000 0.000 0.000) 0.000 27.380 ( 0.000 0.000 -0.000) 0.000 27.428 ( 0.000 0.000 -0.000) 0.000 27.438 ( 0.000 0.000 0.000) 0.000 27.472 ( 0.000 0.000 -0.000) 0.000 27.603 ( 0.000 0.000 0.000) 0.000 28.709 ( 0.000 0.000 0.000) 0.000 28.720 ( 0.000 0.000 0.000) 0.000 28.769 ( 0.000 0.000 -0.000) 0.000 29.177 ( 0.000 0.000 -0.000) 0.000 29.393 ( 0.000 0.000 0.000) 0.000 29.506 ( 0.000 0.000 0.000) 0.000 29.509 ( -0.000 0.000 -0.000) 0.000 29.516 ( 0.000 0.000 0.000) 0.000 29.698 ( 0.000 0.000 0.000) 0.000 29.903 ( 0.000 0.000 0.000) 0.000 30.097 ( 0.000 0.000 0.000) 0.000 30.197 ( 0.000 0.000 0.000) 0.000 30.868 ( 0.000 0.000 0.000) 0.000 30.875 ( 0.000 0.000 0.000) 0.000 30.958 ( 0.000 0.000 0.000) 0.000 31.059 ( 0.000 0.000 0.000) 0.000 31.338 ( 0.000 0.000 0.000) 0.000 31.393 ( 0.000 0.000 -0.000) 0.000 31.540 ( 0.000 0.000 0.000) 0.000 31.726 ( 0.000 0.000 0.000) 0.000 32.333 ( 0.000 0.000 -0.000) 0.000 32.464 ( 0.000 0.000 -0.000) 0.000 32.902 ( 0.000 0.000 0.000) 0.000 33.728 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 0.000 22.889 0.000) 22.889 0.587 ( 0.000 29.751 0.000) 29.751 0.923 ( 0.000 42.967 0.000) 42.967 1.545 ( 0.000 4.520 0.000) 4.520 1.728 ( 0.000 5.163 0.000) 5.163 1.752 ( 0.000 7.599 0.000) 7.599 1.797 ( 0.000 -2.352 0.000) 2.352 1.815 ( 0.000 7.710 0.000) 7.710 1.901 ( 0.000 7.317 0.000) 7.317 1.958 ( 0.000 4.470 0.000) 4.470 1.978 ( 0.000 1.622 0.000) 1.622 2.053 ( 0.000 6.951 0.000) 6.951 2.093 ( 0.000 0.726 0.000) 0.726 2.234 ( 0.000 13.207 0.000) 13.207 2.307 ( 0.000 4.666 0.000) 4.666 2.408 ( 0.000 -1.304 0.000) 1.304 2.539 ( 0.000 -2.252 0.000) 2.252 2.671 ( 0.000 -0.600 0.000) 0.600 2.706 ( 0.000 4.478 0.000) 4.478 2.749 ( 0.000 3.469 0.000) 3.469 2.820 ( 0.000 0.964 0.000) 0.964 2.952 ( 0.000 -2.654 0.000) 2.654 2.956 ( 0.000 9.404 0.000) 9.404 3.098 ( 0.000 -0.049 0.000) 0.049 3.117 ( 0.000 11.279 0.000) 11.279 3.262 ( 0.000 1.868 0.000) 1.868 3.307 ( 0.000 17.203 0.000) 17.203 3.315 ( 0.000 8.061 0.000) 8.061 3.379 ( 0.000 5.160 0.000) 5.160 3.388 ( 0.000 5.737 0.000) 5.737 3.468 ( 0.000 2.211 0.000) 2.211 3.533 ( 0.000 9.900 0.000) 9.900 3.584 ( 0.000 2.454 0.000) 2.454 3.644 ( 0.000 2.319 0.000) 2.319 3.845 ( 0.000 1.769 0.000) 1.769 3.867 ( 0.000 8.023 0.000) 8.023 4.174 ( 0.000 -4.310 0.000) 4.310 4.181 ( 0.000 -6.034 0.000) 6.034 4.232 ( 0.000 -2.745 0.000) 2.745 4.413 ( 0.000 1.132 0.000) 1.132 4.471 ( 0.000 9.930 0.000) 9.930 4.632 ( 0.000 -1.033 0.000) 1.033 4.749 ( 0.000 -5.366 0.000) 5.366 4.799 ( 0.000 -2.305 0.000) 2.305 5.242 ( 0.000 -1.061 0.000) 1.061 5.314 ( 0.000 0.244 0.000) 0.244 5.345 ( 0.000 -2.319 0.000) 2.319 5.461 ( 0.000 -2.212 0.000) 2.212 5.646 ( 0.000 -0.596 0.000) 0.596 5.677 ( 0.000 -2.053 0.000) 2.053 5.947 ( 0.000 -4.134 0.000) 4.134 6.006 ( 0.000 1.386 0.000) 1.386 6.298 ( 0.000 1.236 0.000) 1.236 6.303 ( 0.000 -0.412 0.000) 0.412 6.389 ( 0.000 3.165 0.000) 3.165 6.538 ( 0.000 2.507 0.000) 2.507 6.702 ( 0.000 2.049 0.000) 2.049 6.912 ( 0.000 5.459 0.000) 5.459 6.997 ( 0.000 5.555 0.000) 5.555 7.248 ( 0.000 2.619 0.000) 2.619 7.351 ( 0.000 1.552 0.000) 1.552 7.537 ( 0.000 4.869 0.000) 4.869 7.931 ( 0.000 10.223 0.000) 10.223 8.079 ( 0.000 0.865 0.000) 0.865 8.177 ( 0.000 9.111 0.000) 9.111 8.286 ( 0.000 -4.927 0.000) 4.927 8.319 ( 0.000 -0.769 0.000) 0.769 8.568 ( 0.000 -0.083 0.000) 0.083 8.632 ( 0.000 1.185 0.000) 1.185 8.825 ( 0.000 -5.328 0.000) 5.328 8.895 ( 0.000 8.985 0.000) 8.985 8.906 ( 0.000 -2.248 0.000) 2.248 9.344 ( 0.000 4.180 0.000) 4.180 9.429 ( 0.000 2.484 0.000) 2.484 9.451 ( 0.000 6.252 0.000) 6.252 9.569 ( 0.000 5.088 0.000) 5.088 10.189 ( 0.000 0.555 0.000) 0.555 10.211 ( 0.000 4.292 0.000) 4.292 10.376 ( 0.000 -1.126 0.000) 1.126 10.481 ( 0.000 -1.042 0.000) 1.042 11.014 ( 0.000 -0.675 0.000) 0.675 11.133 ( 0.000 3.625 0.000) 3.625 11.198 ( 0.000 -0.741 0.000) 0.741 11.202 ( 0.000 8.474 0.000) 8.474 11.261 ( 0.000 -2.413 0.000) 2.413 11.529 ( 0.000 5.676 0.000) 5.676 12.178 ( 0.000 -0.439 0.000) 0.439 12.359 ( 0.000 -4.001 0.000) 4.001 12.547 ( 0.000 3.135 0.000) 3.135 12.748 ( 0.000 -3.231 0.000) 3.231 12.915 ( 0.000 1.449 0.000) 1.449 13.017 ( 0.000 6.156 0.000) 6.156 13.137 ( 0.000 -1.463 0.000) 1.463 13.358 ( 0.000 -11.683 0.000) 11.683 13.420 ( 0.000 -8.092 0.000) 8.092 13.470 ( 0.000 -5.739 0.000) 5.739 13.491 ( 0.000 -13.724 0.000) 13.724 13.759 ( 0.000 4.695 0.000) 4.695 14.286 ( 0.000 -8.961 0.000) 8.961 14.315 ( 0.000 -7.942 0.000) 7.942 14.322 ( 0.000 3.766 0.000) 3.766 14.636 ( 0.000 -6.502 0.000) 6.502 14.749 ( 0.000 -6.503 0.000) 6.503 14.755 ( 0.000 -18.585 0.000) 18.585 15.068 ( 0.000 -12.027 0.000) 12.027 15.095 ( 0.000 -12.722 0.000) 12.722 15.163 ( 0.000 -12.538 0.000) 12.538 15.224 ( 0.000 -11.832 0.000) 11.832 15.767 ( 0.000 10.184 0.000) 10.184 16.235 ( 0.000 20.918 0.000) 20.918 17.139 ( 0.000 5.968 0.000) 5.968 17.162 ( 0.000 9.721 0.000) 9.721 18.298 ( 0.000 14.448 0.000) 14.448 18.498 ( 0.000 12.059 0.000) 12.059 20.359 ( 0.000 -12.078 0.000) 12.078 20.430 ( 0.000 -11.908 0.000) 11.908 21.341 ( 0.000 -8.909 0.000) 8.909 21.444 ( 0.000 -7.272 0.000) 7.272 21.826 ( 0.000 0.412 0.000) 0.412 22.003 ( 0.000 12.524 0.000) 12.524 22.060 ( 0.000 -0.176 0.000) 0.176 22.093 ( 0.000 8.940 0.000) 8.940 22.331 ( 0.000 10.757 0.000) 10.757 22.504 ( 0.000 9.845 0.000) 9.845 27.117 ( 0.000 4.053 0.000) 4.053 27.134 ( 0.000 2.955 0.000) 2.955 27.261 ( 0.000 -0.365 0.000) 0.365 27.412 ( 0.000 6.564 0.000) 6.564 27.562 ( 0.000 14.106 0.000) 14.106 27.650 ( 0.000 9.937 0.000) 9.937 27.674 ( 0.000 18.272 0.000) 18.272 28.110 ( 0.000 6.102 0.000) 6.102 28.721 ( 0.000 2.581 0.000) 2.581 28.797 ( 0.000 7.679 0.000) 7.679 28.816 ( 0.000 4.381 0.000) 4.381 29.300 ( 0.000 0.274 0.000) 0.274 29.439 ( 0.000 0.125 0.000) 0.125 29.577 ( 0.000 -2.529 0.000) 2.529 29.604 ( 0.000 -0.076 0.000) 0.076 29.684 ( 0.000 -0.132 0.000) 0.132 29.817 ( 0.000 -1.741 0.000) 1.741 29.857 ( 0.000 -5.072 0.000) 5.072 29.879 ( 0.000 1.813 0.000) 1.813 30.365 ( 0.000 0.687 0.000) 0.687 30.685 ( 0.000 -3.480 0.000) 3.480 30.808 ( 0.000 -3.374 0.000) 3.374 30.853 ( 0.000 -3.275 0.000) 3.275 31.005 ( 0.000 -3.198 0.000) 3.198 31.062 ( 0.000 -3.384 0.000) 3.384 31.262 ( 0.000 -6.996 0.000) 6.996 31.315 ( 0.000 -4.343 0.000) 4.343 31.668 ( 0.000 -8.660 0.000) 8.660 32.138 ( 0.000 -4.438 0.000) 4.438 32.219 ( 0.000 -3.580 0.000) 3.580 32.252 ( 0.000 -5.304 0.000) 5.304 33.763 ( 0.000 -20.933 0.000) 20.933 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 13.937 17.731 -3.157) 22.772 0.833 ( 24.139 14.558 6.952) 29.033 1.297 ( 27.731 25.117 2.309) 37.486 1.438 ( -10.774 3.928 1.065) 11.516 1.567 ( -14.694 9.690 6.414) 18.734 1.734 ( -1.162 2.339 -1.005) 2.798 1.771 ( 1.515 5.108 -5.401) 7.587 1.862 ( 2.009 6.374 -11.816) 13.576 1.920 ( 4.969 6.621 5.931) 10.184 1.964 ( 3.179 6.369 3.692) 8.019 2.035 ( -2.649 5.549 6.048) 8.625 2.057 ( 4.532 1.826 -0.379) 4.901 2.183 ( -3.064 4.458 -3.069) 6.220 2.285 ( 4.461 1.596 -5.759) 7.457 2.292 ( 1.016 5.820 0.635) 5.942 2.341 ( -2.742 5.288 1.261) 6.089 2.457 ( -4.083 1.897 -6.431) 7.850 2.588 ( -2.978 2.131 1.094) 3.822 2.648 ( -13.149 -4.390 -2.910) 14.164 2.766 ( -1.316 1.913 0.493) 2.373 2.801 ( 1.157 0.368 1.457) 1.897 2.922 ( -2.912 5.266 0.948) 6.092 3.010 ( -6.133 7.857 -1.793) 10.128 3.021 ( 3.985 4.979 1.993) 6.681 3.091 ( -6.631 8.082 2.095) 10.662 3.226 ( 2.686 7.122 1.842) 7.831 3.276 ( -2.050 5.695 1.072) 6.147 3.328 ( -0.828 15.362 -1.359) 15.444 3.342 ( 1.956 6.531 -0.711) 6.855 3.357 ( -2.353 5.680 -0.847) 6.206 3.438 ( -1.235 8.487 0.891) 8.623 3.571 ( -4.129 6.838 9.660) 12.535 3.589 ( 2.196 6.504 -1.007) 6.938 3.628 ( 1.884 5.002 -2.111) 5.747 3.729 ( -4.211 7.125 -0.509) 8.291 3.996 ( -4.089 13.645 -6.435) 15.631 4.095 ( 8.276 -1.518 7.201) 11.075 4.192 ( 6.039 -6.830 -7.239) 11.641 4.314 ( 3.289 -3.085 2.794) 5.305 4.428 ( 6.432 1.184 -5.649) 8.642 4.506 ( 5.194 0.618 2.654) 5.865 4.648 ( -4.161 -2.138 -5.678) 7.357 4.772 ( -2.337 -3.273 -1.684) 4.360 4.846 ( 4.443 -4.637 14.727) 16.066 5.179 ( -10.528 -1.154 -9.837) 14.454 5.193 ( -4.021 -2.084 3.358) 5.638 5.364 ( -1.397 -4.595 2.942) 5.632 5.627 ( -2.112 0.372 1.059) 2.392 5.741 ( 6.723 -1.624 -2.143) 7.240 5.759 ( 9.121 -13.407 6.980) 17.654 6.016 ( 9.698 -9.663 4.943) 14.555 6.071 ( 4.570 0.097 -2.563) 5.240 6.291 ( -0.529 0.703 0.181) 0.898 6.351 ( 0.856 -0.370 -2.096) 2.294 6.378 ( 1.598 -0.307 -0.538) 1.714 6.518 ( -1.455 2.398 -0.761) 2.906 6.721 ( 1.371 3.085 1.091) 3.547 6.888 ( 0.906 3.588 -1.853) 4.138 6.973 ( -2.455 5.101 -0.697) 5.704 7.195 ( -4.715 1.762 3.201) 5.964 7.324 ( -2.394 6.164 -2.767) 7.168 7.474 ( -4.799 9.582 0.498) 10.728 7.948 ( 1.074 8.519 -0.065) 8.586 8.060 ( -1.210 1.087 0.281) 1.651 8.180 ( 0.165 6.474 -1.487) 6.644 8.288 ( -0.084 -0.482 -1.060) 1.168 8.339 ( 1.283 -0.337 1.859) 2.284 8.429 ( -6.310 4.238 1.588) 7.765 8.685 ( 1.537 -0.095 -4.339) 4.604 8.776 ( -4.557 -1.319 1.818) 5.080 8.870 ( -2.507 5.139 2.689) 6.319 8.874 ( -0.684 -0.568 -1.706) 1.924 9.356 ( -5.567 2.605 1.359) 6.295 9.395 ( 4.633 2.381 -2.132) 5.628 9.484 ( 2.167 7.211 -1.498) 7.677 9.635 ( 4.371 4.128 1.940) 6.317 10.137 ( -4.175 -0.430 1.403) 4.425 10.199 ( -0.044 2.962 -1.123) 3.168 10.395 ( 1.253 -0.038 -0.425) 1.324 10.514 ( 2.565 0.063 -0.656) 2.648 10.940 ( -2.700 -0.222 -3.442) 4.381 11.059 ( -5.109 1.114 2.860) 5.960 11.200 ( 2.493 4.930 -1.087) 5.631 11.285 ( 2.629 5.690 0.305) 6.275 11.290 ( 0.716 -0.044 4.456) 4.514 11.554 ( 3.106 4.169 -3.429) 6.228 12.137 ( -4.083 1.099 -0.474) 4.255 12.363 ( 3.595 -4.656 0.035) 5.883 12.599 ( -1.035 2.915 1.840) 3.599 12.650 ( -3.508 1.368 -3.842) 5.380 13.002 ( 4.264 -3.270 2.147) 5.787 13.037 ( 1.882 5.592 -0.188) 5.903 13.169 ( 0.671 -0.714 -0.969) 1.378 13.308 ( -2.671 -8.336 -0.444) 8.765 13.410 ( -3.269 -5.734 -1.583) 6.787 13.483 ( 1.022 -11.727 0.495) 11.782 13.516 ( 0.004 -9.078 2.466) 9.407 13.674 ( 0.700 -0.695 -2.402) 2.596 14.273 ( -2.461 0.719 2.153) 3.348 14.296 ( -0.083 -5.335 0.862) 5.405 14.348 ( 1.430 2.332 -1.031) 2.924 14.538 ( -3.221 -11.393 -2.711) 12.146 14.714 ( -1.685 -6.851 -0.251) 7.059 14.808 ( 1.234 -13.426 1.766) 13.597 15.062 ( -0.264 -13.199 0.725) 13.221 15.085 ( -2.002 -14.019 -0.388) 14.167 15.142 ( 2.229 -8.864 -0.788) 9.173 15.259 ( -0.167 -11.768 -0.922) 11.805 15.741 ( -1.723 10.991 0.308) 11.129 16.022 ( -6.845 27.176 -5.397) 28.540 17.234 ( 8.062 6.328 -1.602) 10.373 17.328 ( 6.109 7.729 0.181) 9.853 18.254 ( -2.411 12.426 -0.274) 12.661 18.377 ( -8.982 12.598 0.588) 15.484 20.445 ( 5.646 -10.264 -0.841) 11.745 20.478 ( 2.535 -12.060 2.523) 12.579 21.353 ( 0.327 -8.242 -0.266) 8.253 21.385 ( -2.083 -6.225 2.076) 6.885 21.771 ( -3.368 1.335 -3.003) 4.706 21.912 ( -7.186 4.098 -0.695) 8.302 22.003 ( -0.240 10.126 -1.570) 10.250 22.175 ( 3.210 4.052 0.517) 5.195 22.328 ( -0.234 10.531 0.308) 10.538 22.498 ( -0.472 10.112 -0.192) 10.125 27.091 ( -1.424 4.558 -2.318) 5.309 27.154 ( 0.455 2.119 -0.121) 2.171 27.191 ( -3.634 3.214 1.282) 5.018 27.447 ( 1.995 4.989 0.295) 5.381 27.573 ( 1.065 14.814 -0.154) 14.853 27.624 ( -0.958 14.328 -2.005) 14.499 27.706 ( 1.046 13.840 3.369) 14.283 27.805 ( -13.261 21.732 -1.343) 25.494 28.748 ( 1.217 4.587 -0.327) 4.757 28.802 ( 0.434 5.952 -0.931) 6.040 28.823 ( 0.151 5.735 1.729) 5.992 29.272 ( -6.095 4.323 4.531) 8.738 29.364 ( -3.446 2.466 0.685) 4.293 29.462 ( 1.585 0.168 -0.077) 1.596 29.559 ( -3.062 -1.785 -1.620) 3.897 29.576 ( -2.640 0.396 -3.614) 4.493 29.707 ( -2.088 -0.139 -0.077) 2.094 29.898 ( 1.754 1.701 -0.195) 2.451 29.958 ( 5.679 -3.159 1.795) 6.742 30.269 ( -5.423 -1.711 6.515) 8.648 30.816 ( 0.588 -3.101 1.515) 3.501 30.830 ( 0.762 -2.769 0.062) 2.873 30.951 ( 1.517 -5.724 -2.068) 6.272 31.045 ( -1.208 -3.072 -0.750) 3.386 31.220 ( 7.350 -7.757 -5.320) 11.937 31.243 ( 2.851 -8.286 -11.177) 14.202 31.434 ( 6.126 -10.631 -17.788) 21.609 31.662 ( -0.611 -8.723 -5.717) 10.448 32.211 ( 3.866 -7.867 5.960) 10.600 32.268 ( 5.155 -5.860 2.562) 8.214 32.540 ( 13.456 -20.669 28.198) 37.462 33.666 ( -7.968 -19.127 -1.869) 20.805 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.000 4.630 -0.000) 4.630 1.136 ( -0.000 6.949 0.000) 6.949 1.234 ( 0.000 15.209 -0.000) 15.209 1.279 ( -0.000 13.641 0.000) 13.641 1.706 ( 0.000 0.591 0.000) 0.591 1.773 ( -0.000 7.526 0.000) 7.526 1.815 ( 0.000 1.751 0.000) 1.751 1.906 ( -0.000 7.051 0.000) 7.051 1.914 ( 0.000 2.787 -0.000) 2.787 1.941 ( -0.000 0.580 0.000) 0.580 2.071 ( 0.000 3.856 -0.000) 3.856 2.090 ( -0.000 2.235 -0.000) 2.235 2.181 ( 0.000 15.904 -0.000) 15.904 2.245 ( -0.000 4.352 0.000) 4.352 2.262 ( 0.000 10.631 -0.000) 10.631 2.341 ( -0.000 1.552 -0.000) 1.552 2.403 ( 0.000 9.228 -0.000) 9.228 2.515 ( 0.000 1.455 -0.000) 1.455 2.517 ( 0.000 2.431 0.000) 2.431 2.745 ( 0.000 2.852 -0.000) 2.852 2.794 ( 0.000 1.691 0.000) 1.691 2.906 ( -0.000 -0.128 0.000) 0.128 2.924 ( 0.000 8.818 -0.000) 8.818 2.984 ( 0.000 12.580 -0.000) 12.580 3.081 ( 0.000 -1.076 -0.000) 1.076 3.227 ( 0.000 1.623 -0.000) 1.623 3.281 ( 0.000 9.675 0.000) 9.675 3.309 ( 0.000 11.227 0.000) 11.227 3.366 ( 0.000 16.641 -0.000) 16.641 3.406 ( 0.000 15.216 0.000) 15.216 3.424 ( -0.000 7.134 -0.000) 7.134 3.496 ( 0.000 -4.101 0.000) 4.101 3.612 ( 0.000 6.624 -0.000) 6.624 3.653 ( 0.000 8.125 -0.000) 8.125 3.679 ( -0.000 7.919 0.000) 7.919 3.957 ( 0.000 12.884 0.000) 12.884 4.179 ( 0.000 -1.603 0.000) 1.603 4.320 ( 0.000 -1.378 0.000) 1.378 4.328 ( 0.000 -9.432 0.000) 9.432 4.482 ( 0.000 -2.603 -0.000) 2.603 4.562 ( 0.000 -4.459 0.000) 4.459 4.680 ( 0.000 -3.590 0.000) 3.590 4.750 ( 0.000 0.218 0.000) 0.218 4.928 ( -0.000 -3.244 -0.000) 3.244 4.951 ( 0.000 -0.115 0.000) 0.115 5.150 ( 0.000 -0.881 0.000) 0.881 5.333 ( 0.000 -7.102 0.000) 7.102 5.587 ( 0.000 -0.334 -0.000) 0.334 5.828 ( 0.000 -4.591 0.000) 4.591 5.851 ( 0.000 -2.605 -0.000) 2.605 6.074 ( 0.000 -6.072 -0.000) 6.072 6.191 ( 0.000 -8.749 0.000) 8.749 6.301 ( 0.000 -0.718 -0.000) 0.718 6.311 ( -0.000 1.013 0.000) 1.013 6.424 ( 0.000 -1.294 0.000) 1.294 6.503 ( 0.000 1.357 0.000) 1.357 6.711 ( 0.000 1.009 0.000) 1.009 6.917 ( 0.000 8.839 -0.000) 8.839 6.981 ( 0.000 -3.575 -0.000) 3.575 7.124 ( -0.000 3.838 -0.000) 3.838 7.271 ( 0.000 7.050 0.000) 7.050 7.417 ( 0.000 14.510 0.000) 14.510 7.959 ( 0.000 7.270 0.000) 7.270 8.048 ( 0.000 1.917 0.000) 1.917 8.176 ( 0.000 2.620 0.000) 2.620 8.290 ( 0.000 4.743 0.000) 4.743 8.358 ( 0.000 1.966 0.000) 1.966 8.365 ( 0.000 4.227 -0.000) 4.227 8.691 ( 0.000 1.791 0.000) 1.791 8.714 ( 0.000 -1.003 0.000) 1.003 8.841 ( 0.000 -2.254 0.000) 2.254 8.886 ( 0.000 0.932 -0.000) 0.932 9.278 ( 0.000 3.342 0.000) 3.342 9.459 ( 0.000 2.377 0.000) 2.377 9.506 ( 0.000 8.556 0.000) 8.556 9.687 ( 0.000 2.880 0.000) 2.880 10.089 ( 0.000 -2.261 -0.000) 2.261 10.200 ( 0.000 3.617 0.000) 3.617 10.409 ( 0.000 -0.391 0.000) 0.391 10.545 ( 0.000 1.244 0.000) 1.244 10.904 ( 0.000 -0.481 0.000) 0.481 11.016 ( 0.000 0.623 -0.000) 0.623 11.242 ( 0.000 5.152 0.000) 5.152 11.276 ( 0.000 -1.695 0.000) 1.695 11.321 ( 0.000 7.278 -0.000) 7.278 11.593 ( 0.000 3.232 0.000) 3.232 12.085 ( 0.000 1.740 0.000) 1.740 12.473 ( 0.000 0.797 -0.000) 0.797 12.476 ( -0.000 -3.023 0.000) 3.023 12.656 ( 0.000 2.521 0.000) 2.521 13.054 ( 0.000 4.562 0.000) 4.562 13.069 ( 0.000 -3.767 0.000) 3.767 13.158 ( 0.000 4.893 -0.000) 4.893 13.226 ( 0.000 -1.265 0.000) 1.265 13.420 ( 0.000 -10.866 0.000) 10.866 13.493 ( -0.000 -13.840 0.000) 13.840 13.494 ( 0.000 -9.166 -0.000) 9.166 13.721 ( 0.000 -8.675 0.000) 8.675 14.236 ( 0.000 5.015 0.000) 5.015 14.302 ( 0.000 -7.046 -0.000) 7.046 14.365 ( 0.000 5.409 -0.000) 5.409 14.511 ( 0.000 -14.376 -0.000) 14.376 14.693 ( 0.000 -6.454 0.000) 6.454 14.820 ( 0.000 -12.154 0.000) 12.154 15.060 ( 0.000 -14.038 0.000) 14.038 15.065 ( 0.000 -13.230 -0.000) 13.230 15.179 ( 0.000 -10.116 0.000) 10.116 15.239 ( 0.000 -8.707 0.000) 8.707 15.724 ( 0.000 9.859 0.000) 9.859 15.967 ( 0.000 22.501 0.000) 22.501 17.344 ( 0.000 7.062 0.000) 7.062 17.380 ( 0.000 10.864 -0.000) 10.864 18.221 ( 0.000 10.169 0.000) 10.169 18.267 ( 0.000 12.198 0.000) 12.198 20.498 ( 0.000 -10.087 0.000) 10.087 20.519 ( 0.000 -8.878 -0.000) 8.878 21.336 ( 0.000 -6.619 0.000) 6.619 21.396 ( 0.000 -9.268 -0.000) 9.268 21.730 ( 0.000 0.882 0.000) 0.882 21.824 ( 0.000 3.020 0.000) 3.020 22.004 ( 0.000 9.385 -0.000) 9.385 22.207 ( 0.000 3.798 0.000) 3.798 22.325 ( 0.000 10.310 0.000) 10.310 22.492 ( 0.000 10.431 0.000) 10.431 27.072 ( 0.000 4.864 0.000) 4.864 27.135 ( 0.000 2.653 -0.000) 2.653 27.179 ( 0.000 3.132 -0.000) 3.132 27.469 ( 0.000 4.511 -0.000) 4.511 27.596 ( 0.000 16.720 -0.000) 16.720 27.612 ( 0.000 15.784 0.000) 15.784 27.666 ( 0.000 17.887 0.000) 17.887 27.729 ( 0.000 12.086 0.000) 12.086 28.760 ( 0.000 5.944 -0.000) 5.944 28.812 ( 0.000 4.285 0.000) 4.285 28.820 ( 0.000 8.019 -0.000) 8.019 29.200 ( 0.000 2.317 -0.000) 2.317 29.377 ( 0.000 -1.586 0.000) 1.586 29.490 ( 0.000 -1.580 0.000) 1.580 29.496 ( -0.000 -0.922 -0.000) 0.922 29.541 ( 0.000 1.780 0.000) 1.780 29.691 ( 0.000 -0.076 0.000) 0.076 29.918 ( 0.000 1.583 0.000) 1.583 30.048 ( 0.000 -4.702 0.000) 4.702 30.189 ( 0.000 -0.740 0.000) 0.740 30.839 ( 0.000 -3.059 -0.000) 3.059 30.847 ( 0.000 -2.762 0.000) 2.762 30.919 ( 0.000 -3.885 0.000) 3.885 31.030 ( 0.000 -2.933 0.000) 2.933 31.286 ( 0.000 -10.049 -0.000) 10.049 31.291 ( 0.000 -4.662 -0.000) 4.662 31.467 ( 0.000 -7.369 0.000) 7.369 31.644 ( 0.000 -8.678 0.000) 8.678 32.239 ( 0.000 -8.195 -0.000) 8.195 32.371 ( 0.000 -8.767 0.000) 8.767 32.677 ( 0.000 -18.731 0.000) 18.731 33.555 ( 0.000 -16.904 0.000) 16.904 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 20.234 0.000) 20.234 1.145 ( 0.000 27.562 0.000) 27.562 1.527 ( 0.000 14.487 0.000) 14.487 1.582 ( 0.000 1.716 0.000) 1.716 1.785 ( 0.000 1.626 0.000) 1.626 1.893 ( 0.000 2.767 0.000) 2.767 1.928 ( 0.000 13.812 0.000) 13.812 1.929 ( 0.000 8.253 0.000) 8.253 2.013 ( 0.000 2.884 0.000) 2.884 2.103 ( 0.000 0.647 0.000) 0.647 2.108 ( 0.000 13.590 0.000) 13.590 2.190 ( 0.000 14.877 0.000) 14.877 2.205 ( 0.000 8.590 0.000) 8.590 2.356 ( 0.000 1.694 0.000) 1.694 2.370 ( 0.000 1.548 0.000) 1.548 2.451 ( 0.000 6.447 0.000) 6.447 2.557 ( 0.000 2.543 0.000) 2.543 2.667 ( 0.000 0.452 0.000) 0.452 2.702 ( 0.000 -3.408 0.000) 3.408 2.807 ( 0.000 -1.979 0.000) 1.979 2.841 ( 0.000 4.096 0.000) 4.096 2.902 ( 0.000 -1.891 0.000) 1.891 2.954 ( 0.000 -2.358 0.000) 2.358 3.137 ( 0.000 -5.267 0.000) 5.267 3.204 ( 0.000 -2.383 0.000) 2.383 3.290 ( 0.000 -3.386 0.000) 3.386 3.343 ( 0.000 8.439 0.000) 8.439 3.425 ( 0.000 2.847 0.000) 2.847 3.485 ( 0.000 3.194 0.000) 3.194 3.570 ( 0.000 9.234 0.000) 9.234 3.595 ( 0.000 -0.953 0.000) 0.953 3.800 ( 0.000 8.361 0.000) 8.361 3.800 ( 0.000 15.314 0.000) 15.314 3.931 ( 0.000 17.619 0.000) 17.619 3.994 ( 0.000 9.984 0.000) 9.984 4.119 ( 0.000 16.358 0.000) 16.358 4.140 ( 0.000 5.741 0.000) 5.741 4.219 ( 0.000 4.495 0.000) 4.495 4.230 ( 0.000 17.117 0.000) 17.117 4.402 ( 0.000 -2.798 0.000) 2.798 4.628 ( 0.000 -2.750 0.000) 2.750 4.661 ( 0.000 3.450 0.000) 3.450 4.695 ( 0.000 12.010 0.000) 12.010 4.752 ( 0.000 0.494 0.000) 0.494 5.222 ( 0.000 -0.805 0.000) 0.805 5.294 ( 0.000 -2.748 0.000) 2.748 5.338 ( 0.000 2.942 0.000) 2.942 5.414 ( 0.000 -1.602 0.000) 1.602 5.602 ( 0.000 -2.871 0.000) 2.871 5.664 ( 0.000 -0.419 0.000) 0.419 5.872 ( 0.000 -2.710 0.000) 2.710 6.037 ( 0.000 1.419 0.000) 1.419 6.328 ( 0.000 1.639 0.000) 1.639 6.355 ( 0.000 6.751 0.000) 6.751 6.538 ( 0.000 12.618 0.000) 12.618 6.601 ( 0.000 3.961 0.000) 3.961 6.825 ( 0.000 10.218 0.000) 10.218 6.984 ( 0.000 2.757 0.000) 2.757 7.099 ( 0.000 5.611 0.000) 5.611 7.319 ( 0.000 4.515 0.000) 4.515 7.405 ( 0.000 4.901 0.000) 4.901 7.677 ( 0.000 8.186 0.000) 8.186 8.011 ( 0.000 -0.406 0.000) 0.406 8.117 ( 0.000 0.207 0.000) 0.207 8.199 ( 0.000 -2.938 0.000) 2.938 8.365 ( 0.000 9.030 0.000) 9.030 8.431 ( 0.000 9.727 0.000) 9.727 8.532 ( 0.000 -3.034 0.000) 3.034 8.677 ( 0.000 3.608 0.000) 3.608 8.759 ( 0.000 0.889 0.000) 0.889 8.892 ( 0.000 -0.429 0.000) 0.429 9.028 ( 0.000 5.104 0.000) 5.104 9.402 ( 0.000 2.164 0.000) 2.164 9.515 ( 0.000 6.609 0.000) 6.609 9.654 ( 0.000 13.955 0.000) 13.955 9.730 ( 0.000 10.627 0.000) 10.627 10.204 ( 0.000 1.642 0.000) 1.642 10.327 ( 0.000 -3.932 0.000) 3.932 10.341 ( 0.000 9.122 0.000) 9.122 10.458 ( 0.000 -1.233 0.000) 1.233 11.014 ( 0.000 0.882 0.000) 0.882 11.179 ( 0.000 -1.858 0.000) 1.858 11.220 ( 0.000 4.859 0.000) 4.859 11.225 ( 0.000 0.043 0.000) 0.043 11.439 ( 0.000 14.656 0.000) 14.656 11.663 ( 0.000 8.067 0.000) 8.067 12.174 ( 0.000 -0.205 0.000) 0.205 12.280 ( 0.000 -4.004 0.000) 4.004 12.590 ( 0.000 -1.005 0.000) 1.005 12.668 ( 0.000 -3.222 0.000) 3.222 12.910 ( 0.000 -3.933 0.000) 3.933 13.043 ( 0.000 -11.235 0.000) 11.235 13.087 ( 0.000 -1.432 0.000) 1.432 13.129 ( 0.000 -9.392 0.000) 9.392 13.211 ( 0.000 -11.468 0.000) 11.468 13.269 ( 0.000 -7.019 0.000) 7.019 13.300 ( 0.000 -10.952 0.000) 10.952 13.760 ( 0.000 -5.031 0.000) 5.031 14.041 ( 0.000 -15.907 0.000) 15.907 14.081 ( 0.000 -15.746 0.000) 15.746 14.327 ( 0.000 -5.614 0.000) 5.614 14.358 ( 0.000 -20.619 0.000) 20.619 14.472 ( 0.000 -9.613 0.000) 9.613 14.581 ( 0.000 -10.437 0.000) 10.437 14.710 ( 0.000 -22.032 0.000) 22.032 14.749 ( 0.000 -19.192 0.000) 19.192 14.855 ( 0.000 -17.971 0.000) 17.971 14.901 ( 0.000 -20.590 0.000) 20.590 16.139 ( 0.000 25.267 0.000) 25.267 16.676 ( 0.000 23.364 0.000) 23.364 17.338 ( 0.000 13.871 0.000) 13.871 17.431 ( 0.000 16.841 0.000) 16.841 18.690 ( 0.000 25.089 0.000) 25.089 18.832 ( 0.000 21.914 0.000) 21.914 20.133 ( 0.000 -9.499 0.000) 9.499 20.187 ( 0.000 -10.994 0.000) 10.994 21.187 ( 0.000 -6.631 0.000) 6.631 21.301 ( 0.000 -7.367 0.000) 7.367 21.793 ( 0.000 -4.392 0.000) 4.392 21.990 ( 0.000 -7.212 0.000) 7.212 22.225 ( 0.000 10.018 0.000) 10.018 22.272 ( 0.000 8.544 0.000) 8.544 22.561 ( 0.000 11.194 0.000) 11.194 22.718 ( 0.000 10.406 0.000) 10.406 27.226 ( 0.000 6.820 0.000) 6.820 27.239 ( 0.000 7.526 0.000) 7.526 27.324 ( 0.000 6.278 0.000) 6.278 27.573 ( 0.000 9.348 0.000) 9.348 27.889 ( 0.000 18.093 0.000) 18.093 27.906 ( 0.000 15.334 0.000) 15.334 28.049 ( 0.000 18.880 0.000) 18.880 28.258 ( 0.000 8.497 0.000) 8.497 28.795 ( 0.000 4.999 0.000) 4.999 28.931 ( 0.000 7.139 0.000) 7.139 28.975 ( 0.000 9.445 0.000) 9.445 29.318 ( 0.000 1.641 0.000) 1.641 29.436 ( 0.000 -0.548 0.000) 0.548 29.503 ( 0.000 -4.994 0.000) 4.994 29.597 ( 0.000 -0.847 0.000) 0.847 29.640 ( 0.000 -6.037 0.000) 6.037 29.797 ( 0.000 1.840 0.000) 1.840 29.797 ( 0.000 0.273 0.000) 0.273 29.933 ( 0.000 4.003 0.000) 4.003 30.376 ( 0.000 0.248 0.000) 0.248 30.589 ( 0.000 -6.156 0.000) 6.156 30.721 ( 0.000 -5.222 0.000) 5.222 30.765 ( 0.000 -5.694 0.000) 5.694 30.916 ( 0.000 -5.788 0.000) 5.788 30.973 ( 0.000 -5.497 0.000) 5.497 31.075 ( 0.000 -11.679 0.000) 11.679 31.202 ( 0.000 -6.948 0.000) 6.948 31.442 ( 0.000 -13.884 0.000) 13.884 32.025 ( 0.000 -6.667 0.000) 6.667 32.122 ( 0.000 -7.564 0.000) 7.564 32.129 ( 0.000 -5.355 0.000) 5.355 33.251 ( 0.000 -29.534 0.000) 29.534 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 3.526 18.403 6.590) 19.862 1.128 ( 14.127 17.003 5.234) 22.717 1.478 ( -9.730 2.124 2.351) 10.233 1.678 ( 6.045 8.016 -1.133) 10.103 1.795 ( -0.374 10.218 -2.864) 10.619 1.829 ( -6.816 8.593 2.909) 11.347 1.892 ( 2.456 6.560 -9.417) 11.736 1.980 ( 6.884 5.824 -0.031) 9.017 2.022 ( -1.554 4.374 3.166) 5.618 2.129 ( 4.894 8.529 -1.183) 9.905 2.157 ( -5.726 6.899 5.866) 10.714 2.218 ( -3.282 7.503 -7.928) 11.398 2.250 ( 6.019 4.723 -0.955) 7.710 2.313 ( 6.649 10.165 1.952) 12.302 2.389 ( -2.583 0.903 -1.832) 3.293 2.409 ( 0.146 3.197 -4.632) 5.630 2.526 ( -1.422 2.586 1.160) 3.171 2.575 ( -4.470 1.965 -2.539) 5.503 2.644 ( -1.348 1.026 1.902) 2.547 2.823 ( 2.305 1.636 -1.714) 3.305 2.849 ( -2.792 6.067 -0.385) 6.690 2.897 ( -0.380 -2.504 3.523) 4.339 3.059 ( 0.949 -1.058 -0.689) 1.580 3.118 ( -1.720 0.097 -1.281) 2.147 3.206 ( 2.340 -3.688 3.786) 5.780 3.256 ( -3.454 -0.646 1.675) 3.893 3.329 ( -2.889 3.114 -3.541) 5.530 3.376 ( -2.360 2.938 4.648) 5.984 3.450 ( 0.247 5.807 -0.679) 5.852 3.586 ( 2.443 6.019 -2.010) 6.800 3.673 ( 3.320 0.924 4.468) 5.643 3.774 ( -0.144 15.214 -1.226) 15.264 3.872 ( -0.802 8.217 1.921) 8.477 3.877 ( 0.105 13.520 0.265) 13.523 3.981 ( 0.331 20.924 1.420) 20.975 4.099 ( 0.136 8.639 0.060) 8.640 4.185 ( 5.048 4.176 -4.771) 8.105 4.256 ( 2.928 16.020 0.216) 16.287 4.344 ( 5.680 8.925 -0.140) 10.581 4.451 ( 2.995 1.482 -0.349) 3.360 4.542 ( -5.341 -0.072 -2.858) 6.058 4.651 ( 1.154 7.824 -2.124) 8.189 4.717 ( -2.224 0.502 -0.212) 2.290 4.777 ( 4.234 -0.765 7.564) 8.702 5.147 ( -3.408 -2.262 2.889) 5.008 5.167 ( -12.439 0.697 -5.112) 13.467 5.294 ( -2.767 -2.409 0.937) 3.787 5.565 ( 8.186 -5.895 3.153) 10.569 5.640 ( 0.866 1.372 1.286) 2.071 5.717 ( 6.302 -1.057 -2.678) 6.929 5.911 ( 5.437 -2.899 2.739) 6.743 6.048 ( 0.316 -1.786 -3.780) 4.193 6.305 ( -1.532 0.912 -1.279) 2.195 6.364 ( 0.268 2.869 -0.105) 2.883 6.473 ( -5.689 9.979 4.174) 12.221 6.598 ( -0.750 6.778 0.311) 6.826 6.836 ( -0.685 7.016 -1.894) 7.299 6.945 ( -1.913 2.916 -0.528) 3.528 7.073 ( 0.139 6.834 -1.944) 7.106 7.274 ( -3.045 7.002 3.448) 8.378 7.459 ( 1.989 7.925 -2.430) 8.524 7.671 ( -0.068 9.377 1.211) 9.456 8.011 ( -0.085 -0.608 -1.868) 1.966 8.110 ( 0.677 0.830 -1.891) 2.174 8.213 ( -0.591 -1.423 0.765) 1.720 8.365 ( -0.592 7.524 0.870) 7.597 8.441 ( 1.830 8.176 2.614) 8.777 8.480 ( -2.901 -0.570 0.294) 2.971 8.680 ( 0.091 0.840 -4.061) 4.148 8.743 ( -2.717 2.881 1.488) 4.230 8.902 ( 1.561 2.870 1.155) 3.465 9.023 ( -1.329 7.819 0.451) 7.944 9.410 ( 2.014 1.398 -2.046) 3.194 9.443 ( -4.994 5.678 1.383) 7.687 9.686 ( 2.210 12.467 -2.844) 12.977 9.774 ( 2.848 10.126 1.905) 10.690 10.129 ( -7.881 0.254 3.056) 8.457 10.265 ( 1.007 2.860 -0.816) 3.140 10.395 ( 0.607 0.776 -1.750) 2.009 10.509 ( 3.770 -0.645 -0.710) 3.890 10.954 ( -3.138 1.372 -3.974) 5.246 11.072 ( -4.282 0.786 4.064) 5.956 11.279 ( 1.225 1.017 4.895) 5.148 11.356 ( 6.787 7.875 -3.178) 10.871 11.466 ( 2.537 12.621 -0.266) 12.876 11.651 ( -0.074 6.196 -2.007) 6.513 12.160 ( -2.635 0.903 -0.792) 2.895 12.276 ( 3.418 -4.473 0.894) 5.700 12.578 ( -7.425 -6.396 4.719) 10.877 12.661 ( 3.382 1.006 -3.044) 4.660 12.946 ( 2.798 -4.379 -0.965) 5.286 13.034 ( -1.366 -14.041 -1.208) 14.159 13.093 ( 1.478 -2.424 0.018) 2.839 13.123 ( 2.141 -8.148 -1.650) 8.584 13.210 ( -3.254 -8.897 0.164) 9.475 13.266 ( -0.090 -13.112 2.759) 13.399 13.350 ( 4.459 -6.564 -0.675) 7.964 13.640 ( -8.517 -4.303 -0.252) 9.546 14.069 ( 1.535 -16.071 -0.687) 16.159 14.112 ( 2.475 -16.451 0.301) 16.639 14.286 ( -4.599 -13.231 1.444) 14.082 14.344 ( 1.101 -6.091 -0.642) 6.223 14.524 ( 3.130 -13.551 -0.899) 13.937 14.558 ( -1.682 -10.361 -0.286) 10.500 14.716 ( -1.996 -20.453 3.062) 20.777 14.726 ( 0.827 -20.381 -0.767) 20.412 14.849 ( -0.057 -18.987 0.133) 18.988 14.940 ( 2.206 -19.231 -0.571) 19.365 16.120 ( -1.485 25.837 0.564) 25.885 16.571 ( -6.533 27.553 -0.717) 28.326 17.420 ( 6.926 12.161 -1.027) 14.033 17.552 ( 7.982 14.348 -0.005) 16.418 18.614 ( -5.743 23.803 -0.472) 24.491 18.715 ( -8.900 22.073 0.496) 23.805 20.243 ( 6.522 -8.845 1.272) 11.063 20.252 ( 6.522 -9.099 -1.012) 11.241 21.204 ( 1.680 -6.271 -1.411) 6.644 21.271 ( -2.531 -5.720 2.638) 6.788 21.754 ( -3.177 -3.796 -1.870) 5.292 21.909 ( -6.813 -5.192 -0.339) 8.573 22.205 ( -0.933 9.604 -1.950) 9.844 22.265 ( -0.296 5.243 1.611) 5.493 22.558 ( -0.225 11.438 0.213) 11.442 22.715 ( -0.265 10.555 -0.056) 10.559 27.218 ( -0.459 7.624 -1.025) 7.707 27.244 ( 0.049 7.251 -2.266) 7.597 27.296 ( -1.882 7.314 3.057) 8.148 27.583 ( 0.660 8.396 -0.204) 8.424 27.905 ( 1.652 17.828 -0.433) 17.910 27.928 ( 2.113 16.622 -0.976) 16.784 28.039 ( -1.270 18.224 2.702) 18.467 28.149 ( -7.889 14.350 -1.288) 16.426 28.846 ( 3.850 5.242 -0.761) 6.548 28.926 ( -0.282 7.236 1.057) 7.318 28.984 ( 0.688 9.172 -1.405) 9.305 29.307 ( -1.192 0.623 1.383) 1.929 29.415 ( -8.487 1.449 4.923) 9.918 29.458 ( -2.147 -1.092 -1.402) 2.787 29.505 ( -1.159 -3.772 -0.269) 3.955 29.567 ( -2.925 -1.235 -1.944) 3.723 29.749 ( -1.005 5.002 -0.763) 5.158 29.886 ( 4.252 -3.211 0.365) 5.341 29.950 ( 1.408 3.847 -0.267) 4.105 30.245 ( -6.184 -0.602 4.171) 7.483 30.723 ( 1.952 -6.959 -1.558) 7.394 30.753 ( 1.201 -4.637 -0.213) 4.794 30.808 ( 4.667 -7.894 -2.006) 9.387 30.962 ( -0.869 -5.260 -0.505) 5.355 31.012 ( 5.429 -10.673 -10.353) 15.830 31.084 ( 4.360 -9.469 1.880) 10.592 31.241 ( 2.665 -9.506 2.976) 10.312 31.425 ( -1.559 -14.944 -4.261) 15.618 32.054 ( 1.479 -7.938 3.498) 8.800 32.126 ( 2.479 -7.966 3.925) 9.220 32.248 ( 7.186 -11.209 3.669) 13.811 33.193 ( -4.655 -27.547 -1.350) 27.970 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 9.063 -0.000) 9.063 1.304 ( -0.000 9.887 0.000) 9.887 1.477 ( 0.000 6.622 0.000) 6.622 1.533 ( -0.000 14.009 -0.000) 14.009 1.775 ( 0.000 5.126 0.000) 5.126 1.881 ( -0.000 3.901 0.000) 3.901 1.932 ( 0.000 2.105 -0.000) 2.105 1.973 ( 0.000 8.730 -0.000) 8.730 2.009 ( 0.000 7.515 0.000) 7.515 2.110 ( -0.000 10.605 0.000) 10.605 2.124 ( 0.000 2.242 -0.000) 2.242 2.172 ( 0.000 6.138 -0.000) 6.138 2.346 ( 0.000 5.749 0.000) 5.749 2.380 ( 0.000 3.002 -0.000) 3.002 2.414 ( 0.000 6.602 0.000) 6.602 2.443 ( -0.000 6.376 -0.000) 6.376 2.529 ( 0.000 5.949 0.000) 5.949 2.564 ( 0.000 4.199 -0.000) 4.199 2.690 ( -0.000 -6.207 0.000) 6.207 2.696 ( 0.000 10.993 -0.000) 10.993 2.815 ( 0.000 1.520 0.000) 1.520 2.932 ( 0.000 4.475 0.000) 4.475 3.052 ( 0.000 2.411 -0.000) 2.411 3.075 ( -0.000 -0.493 0.000) 0.493 3.178 ( 0.000 5.741 -0.000) 5.741 3.222 ( 0.000 -0.115 -0.000) 0.115 3.342 ( 0.000 1.855 -0.000) 1.855 3.349 ( 0.000 -5.483 0.000) 5.483 3.467 ( 0.000 6.329 -0.000) 6.329 3.626 ( 0.000 6.052 0.000) 6.052 3.693 ( 0.000 5.138 0.000) 5.138 3.789 ( 0.000 15.728 0.000) 15.728 3.813 ( 0.000 2.605 -0.000) 2.605 3.916 ( 0.000 16.862 -0.000) 16.862 3.999 ( 0.000 28.027 -0.000) 28.027 4.109 ( 0.000 -0.235 0.000) 0.235 4.253 ( 0.000 6.323 -0.000) 6.323 4.310 ( 0.000 12.157 0.000) 12.157 4.397 ( 0.000 13.174 0.000) 13.174 4.445 ( 0.000 1.293 -0.000) 1.293 4.499 ( 0.000 0.441 0.000) 0.441 4.656 ( 0.000 2.813 0.000) 2.813 4.720 ( 0.000 -0.672 0.000) 0.672 4.888 ( -0.000 -0.315 -0.000) 0.315 4.932 ( 0.000 -0.083 0.000) 0.083 5.131 ( 0.000 -1.540 0.000) 1.540 5.239 ( 0.000 -2.419 0.000) 2.419 5.588 ( 0.000 -0.253 0.000) 0.253 5.726 ( 0.000 -3.574 0.000) 3.574 5.803 ( 0.000 -1.666 -0.000) 1.666 5.996 ( -0.000 -1.158 -0.000) 1.158 6.026 ( 0.000 -7.359 0.000) 7.359 6.297 ( 0.000 0.048 0.000) 0.048 6.365 ( 0.000 5.456 -0.000) 5.456 6.398 ( 0.000 -0.447 0.000) 0.447 6.592 ( 0.000 9.450 0.000) 9.450 6.785 ( 0.000 3.785 0.000) 3.785 6.927 ( 0.000 1.746 -0.000) 1.746 7.110 ( 0.000 9.236 0.000) 9.236 7.252 ( -0.000 10.386 -0.000) 10.386 7.442 ( 0.000 10.833 0.000) 10.833 7.685 ( 0.000 11.031 -0.000) 11.031 8.006 ( 0.000 -0.822 0.000) 0.822 8.135 ( 0.000 3.595 -0.000) 3.595 8.184 ( 0.000 -1.934 0.000) 1.934 8.357 ( 0.000 1.626 0.000) 1.626 8.436 ( 0.000 1.683 0.000) 1.683 8.498 ( 0.000 11.145 -0.000) 11.145 8.676 ( 0.000 -2.206 -0.000) 2.206 8.693 ( -0.000 4.072 0.000) 4.072 8.938 ( 0.000 3.238 -0.000) 3.238 8.989 ( 0.000 13.235 -0.000) 13.235 9.366 ( 0.000 5.391 0.000) 5.391 9.473 ( 0.000 0.898 0.000) 0.898 9.708 ( 0.000 11.163 -0.000) 11.163 9.800 ( 0.000 9.494 0.000) 9.494 10.034 ( 0.000 -2.452 -0.000) 2.452 10.286 ( 0.000 4.423 -0.000) 4.423 10.397 ( 0.000 -0.443 0.000) 0.443 10.551 ( 0.000 -1.138 0.000) 1.138 10.912 ( 0.000 1.229 -0.000) 1.229 11.042 ( 0.000 1.786 0.000) 1.786 11.274 ( 0.000 2.034 -0.000) 2.034 11.417 ( 0.000 12.398 0.000) 12.398 11.519 ( 0.000 12.677 0.000) 12.677 11.653 ( 0.000 2.742 0.000) 2.742 12.120 ( 0.000 1.299 0.000) 1.299 12.373 ( 0.000 -7.268 -0.000) 7.268 12.449 ( 0.000 -3.550 0.000) 3.550 12.687 ( 0.000 -0.448 0.000) 0.448 12.983 ( 0.000 -6.562 0.000) 6.562 13.024 ( 0.000 -11.646 0.000) 11.646 13.115 ( 0.000 -10.739 0.000) 10.739 13.137 ( 0.000 1.474 -0.000) 1.474 13.191 ( 0.000 -11.619 0.000) 11.619 13.247 ( 0.000 -15.102 0.000) 15.102 13.415 ( 0.000 0.774 0.000) 0.774 13.530 ( 0.000 -9.779 -0.000) 9.779 14.085 ( 0.000 -15.770 0.000) 15.770 14.148 ( 0.000 -20.633 -0.000) 20.633 14.226 ( 0.000 -6.353 -0.000) 6.353 14.358 ( 0.000 -7.101 -0.000) 7.101 14.537 ( 0.000 -9.834 0.000) 9.834 14.559 ( 0.000 -13.789 -0.000) 13.789 14.690 ( 0.000 -21.380 0.000) 21.380 14.741 ( 0.000 -19.284 0.000) 19.284 14.848 ( 0.000 -20.363 -0.000) 20.363 14.963 ( 0.000 -17.875 -0.000) 17.875 16.102 ( 0.000 26.394 0.000) 26.394 16.500 ( 0.000 29.063 0.000) 29.063 17.514 ( 0.000 10.041 0.000) 10.041 17.641 ( 0.000 14.456 0.000) 14.456 18.537 ( 0.000 22.142 0.000) 22.142 18.609 ( 0.000 22.722 0.000) 22.722 20.301 ( 0.000 -8.375 0.000) 8.375 20.354 ( 0.000 -6.672 0.000) 6.672 21.227 ( 0.000 -4.747 0.000) 4.747 21.242 ( 0.000 -5.545 -0.000) 5.545 21.709 ( 0.000 -3.813 -0.000) 3.813 21.819 ( 0.000 -4.337 0.000) 4.337 22.195 ( 0.000 9.126 -0.000) 9.126 22.265 ( 0.000 2.584 0.000) 2.584 22.555 ( 0.000 11.624 0.000) 11.624 22.711 ( 0.000 10.659 0.000) 10.659 27.212 ( 0.000 8.010 -0.000) 8.010 27.236 ( 0.000 8.302 0.000) 8.302 27.283 ( 0.000 7.063 -0.000) 7.063 27.590 ( 0.000 7.706 0.000) 7.706 27.937 ( 0.000 16.985 0.000) 16.985 27.964 ( 0.000 19.105 0.000) 19.105 28.018 ( 0.000 16.104 -0.000) 16.104 28.043 ( 0.000 18.632 0.000) 18.632 28.896 ( 0.000 6.714 0.000) 6.714 28.925 ( 0.000 7.096 0.000) 7.096 28.992 ( 0.000 9.025 -0.000) 9.025 29.257 ( 0.000 3.085 -0.000) 3.085 29.338 ( 0.000 -2.041 -0.000) 2.041 29.456 ( 0.000 -1.949 0.000) 1.949 29.474 ( -0.000 -1.263 0.000) 1.263 29.547 ( 0.000 -1.302 -0.000) 1.302 29.739 ( 0.000 5.506 0.000) 5.506 29.943 ( 0.000 -5.087 0.000) 5.087 29.967 ( 0.000 3.598 0.000) 3.598 30.176 ( 0.000 -0.404 0.000) 0.404 30.745 ( 0.000 -6.702 -0.000) 6.702 30.777 ( 0.000 -4.166 0.000) 4.166 30.816 ( 0.000 -6.543 0.000) 6.543 30.950 ( 0.000 -5.128 0.000) 5.128 31.056 ( 0.000 -12.475 -0.000) 12.475 31.169 ( 0.000 -7.545 0.000) 7.545 31.278 ( 0.000 -11.086 0.000) 11.086 31.391 ( 0.000 -16.822 0.000) 16.822 32.070 ( 0.000 -8.541 -0.000) 8.541 32.174 ( 0.000 -10.397 0.000) 10.397 32.334 ( 0.000 -14.789 0.000) 14.789 33.129 ( 0.000 -25.220 0.000) 25.220 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.000 17.451 0.000) 17.451 1.550 ( 0.000 0.042 0.000) 0.042 1.648 ( 0.000 24.040 0.000) 24.040 1.719 ( 0.000 5.523 0.000) 5.523 1.862 ( 0.000 5.338 0.000) 5.338 1.974 ( 0.000 5.431 0.000) 5.431 2.020 ( 0.000 3.202 0.000) 3.202 2.075 ( 0.000 2.661 0.000) 2.661 2.135 ( 0.000 6.288 0.000) 6.288 2.194 ( 0.000 6.314 0.000) 6.314 2.306 ( 0.000 6.006 0.000) 6.006 2.329 ( 0.000 2.632 0.000) 2.632 2.363 ( 0.000 0.869 0.000) 0.869 2.412 ( 0.000 4.267 0.000) 4.267 2.458 ( 0.000 8.236 0.000) 8.236 2.557 ( 0.000 -2.461 0.000) 2.461 2.606 ( 0.000 9.009 0.000) 9.009 2.667 ( 0.000 2.892 0.000) 2.892 2.718 ( 0.000 4.111 0.000) 4.111 2.780 ( 0.000 0.846 0.000) 0.846 2.838 ( 0.000 -2.183 0.000) 2.183 2.907 ( 0.000 2.511 0.000) 2.511 3.015 ( 0.000 2.829 0.000) 2.829 3.049 ( 0.000 -0.448 0.000) 0.448 3.138 ( 0.000 -3.200 0.000) 3.200 3.256 ( 0.000 0.621 0.000) 0.621 3.328 ( 0.000 -7.283 0.000) 7.283 3.438 ( 0.000 -0.955 0.000) 0.955 3.523 ( 0.000 0.929 0.000) 0.929 3.641 ( 0.000 -2.077 0.000) 2.077 3.648 ( 0.000 5.188 0.000) 5.188 3.895 ( 0.000 3.055 0.000) 3.055 3.905 ( 0.000 -0.482 0.000) 0.482 4.040 ( 0.000 -3.950 0.000) 3.950 4.109 ( 0.000 5.433 0.000) 5.433 4.339 ( 0.000 7.955 0.000) 7.955 4.342 ( 0.000 -0.933 0.000) 0.933 4.373 ( 0.000 8.685 0.000) 8.685 4.447 ( 0.000 8.118 0.000) 8.118 4.505 ( 0.000 4.552 0.000) 4.552 4.631 ( 0.000 5.378 0.000) 5.378 4.849 ( 0.000 11.810 0.000) 11.810 4.872 ( 0.000 16.370 0.000) 16.370 5.025 ( 0.000 16.292 0.000) 16.292 5.222 ( 0.000 0.692 0.000) 0.692 5.239 ( 0.000 -2.751 0.000) 2.751 5.403 ( 0.000 -1.049 0.000) 1.049 5.447 ( 0.000 7.719 0.000) 7.719 5.596 ( 0.000 3.407 0.000) 3.407 5.645 ( 0.000 -0.582 0.000) 0.582 5.866 ( 0.000 2.183 0.000) 2.183 6.059 ( 0.000 1.263 0.000) 1.263 6.355 ( 0.000 1.339 0.000) 1.339 6.549 ( 0.000 10.954 0.000) 10.954 6.680 ( 0.000 2.725 0.000) 2.725 6.835 ( 0.000 15.158 0.000) 15.158 7.045 ( 0.000 10.521 0.000) 10.521 7.088 ( 0.000 10.720 0.000) 10.720 7.272 ( 0.000 13.878 0.000) 13.878 7.443 ( 0.000 10.168 0.000) 10.168 7.598 ( 0.000 16.281 0.000) 16.281 7.810 ( 0.000 5.543 0.000) 5.543 7.977 ( 0.000 -3.341 0.000) 3.341 8.105 ( 0.000 -0.069 0.000) 0.069 8.191 ( 0.000 2.042 0.000) 2.042 8.428 ( 0.000 -3.023 0.000) 3.023 8.531 ( 0.000 3.581 0.000) 3.581 8.619 ( 0.000 9.706 0.000) 9.706 8.730 ( 0.000 0.011 0.000) 0.011 8.804 ( 0.000 1.721 0.000) 1.721 8.901 ( 0.000 1.953 0.000) 1.953 9.132 ( 0.000 4.952 0.000) 4.952 9.476 ( 0.000 6.852 0.000) 6.852 9.682 ( 0.000 10.529 0.000) 10.529 9.854 ( 0.000 5.788 0.000) 5.788 10.018 ( 0.000 18.321 0.000) 18.321 10.242 ( 0.000 -3.945 0.000) 3.945 10.285 ( 0.000 7.078 0.000) 7.078 10.436 ( 0.000 -0.890 0.000) 0.890 10.562 ( 0.000 13.106 0.000) 13.106 11.053 ( 0.000 3.228 0.000) 3.228 11.132 ( 0.000 -2.452 0.000) 2.452 11.264 ( 0.000 3.287 0.000) 3.287 11.280 ( 0.000 0.715 0.000) 0.715 11.732 ( 0.000 14.365 0.000) 14.365 11.836 ( 0.000 9.216 0.000) 9.216 12.148 ( 0.000 -3.386 0.000) 3.386 12.196 ( 0.000 -5.119 0.000) 5.119 12.467 ( 0.000 -9.220 0.000) 9.220 12.638 ( 0.000 -5.090 0.000) 5.090 12.673 ( 0.000 -19.402 0.000) 19.402 12.785 ( 0.000 -8.159 0.000) 8.159 12.890 ( 0.000 -16.091 0.000) 16.091 13.018 ( 0.000 -4.218 0.000) 4.218 13.063 ( 0.000 -6.083 0.000) 6.083 13.128 ( 0.000 -5.838 0.000) 5.838 13.170 ( 0.000 -4.366 0.000) 4.366 13.576 ( 0.000 -13.117 0.000) 13.117 13.681 ( 0.000 -20.617 0.000) 20.617 13.735 ( 0.000 -19.169 0.000) 19.169 13.923 ( 0.000 -22.601 0.000) 22.601 14.043 ( 0.000 -22.075 0.000) 22.075 14.276 ( 0.000 -14.303 0.000) 14.303 14.326 ( 0.000 -11.082 0.000) 11.082 14.430 ( 0.000 -7.098 0.000) 7.098 14.432 ( 0.000 -15.634 0.000) 15.634 14.491 ( 0.000 -16.591 0.000) 16.591 14.556 ( 0.000 -11.795 0.000) 11.795 16.655 ( 0.000 26.482 0.000) 26.482 17.114 ( 0.000 21.363 0.000) 21.363 17.616 ( 0.000 12.792 0.000) 12.792 17.750 ( 0.000 14.249 0.000) 14.249 19.237 ( 0.000 30.455 0.000) 30.455 19.323 ( 0.000 27.957 0.000) 27.957 20.039 ( 0.000 0.484 0.000) 0.484 20.062 ( 0.000 -0.960 0.000) 0.960 21.069 ( 0.000 -6.161 0.000) 6.161 21.156 ( 0.000 -7.802 0.000) 7.802 21.642 ( 0.000 -11.297 0.000) 11.297 21.780 ( 0.000 -14.237 0.000) 14.237 22.393 ( 0.000 7.445 0.000) 7.445 22.411 ( 0.000 5.908 0.000) 5.908 22.726 ( 0.000 5.438 0.000) 5.438 22.865 ( 0.000 4.279 0.000) 4.279 27.371 ( 0.000 7.862 0.000) 7.862 27.402 ( 0.000 8.576 0.000) 8.576 27.476 ( 0.000 8.688 0.000) 8.688 27.747 ( 0.000 7.941 0.000) 7.941 28.191 ( 0.000 13.223 0.000) 13.223 28.222 ( 0.000 14.921 0.000) 14.921 28.357 ( 0.000 11.885 0.000) 11.885 28.417 ( 0.000 7.569 0.000) 7.569 28.908 ( 0.000 6.324 0.000) 6.324 29.084 ( 0.000 8.433 0.000) 8.433 29.133 ( 0.000 6.442 0.000) 6.442 29.346 ( 0.000 0.892 0.000) 0.892 29.398 ( 0.000 -5.211 0.000) 5.211 29.412 ( 0.000 -3.469 0.000) 3.469 29.522 ( 0.000 -2.266 0.000) 2.266 29.571 ( 0.000 -1.400 0.000) 1.400 29.846 ( 0.000 4.660 0.000) 4.660 29.914 ( 0.000 8.812 0.000) 8.812 30.036 ( 0.000 6.479 0.000) 6.479 30.361 ( 0.000 -2.236 0.000) 2.236 30.457 ( 0.000 -7.039 0.000) 7.039 30.626 ( 0.000 -4.133 0.000) 4.133 30.638 ( 0.000 -7.273 0.000) 7.273 30.786 ( 0.000 -7.399 0.000) 7.399 30.832 ( 0.000 -11.939 0.000) 11.939 30.861 ( 0.000 -6.341 0.000) 6.341 31.060 ( 0.000 -7.398 0.000) 7.398 31.161 ( 0.000 -14.234 0.000) 14.234 31.900 ( 0.000 -5.805 0.000) 5.805 31.979 ( 0.000 -6.711 0.000) 6.711 32.022 ( 0.000 -5.527 0.000) 5.527 32.693 ( 0.000 -26.608 0.000) 26.608 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 7.448 14.301 8.323) 18.145 1.457 ( -1.657 12.040 2.739) 12.459 1.579 ( -5.961 11.407 1.340) 12.940 1.764 ( 3.463 3.848 2.901) 5.934 1.906 ( -1.936 4.016 -3.324) 5.561 1.964 ( -2.302 3.357 2.314) 4.682 2.004 ( -0.854 6.331 -6.142) 8.862 2.076 ( 4.039 4.470 -4.404) 7.462 2.137 ( 0.315 6.615 1.486) 6.787 2.223 ( -1.776 1.214 3.099) 3.773 2.309 ( -0.797 6.861 -1.721) 7.119 2.342 ( 1.856 4.157 2.560) 5.223 2.356 ( 3.327 6.940 -6.116) 9.830 2.401 ( 1.354 1.728 -2.476) 3.309 2.471 ( -3.679 3.715 0.217) 5.233 2.509 ( 3.301 6.100 -1.815) 7.170 2.588 ( -3.134 3.849 -0.700) 5.012 2.654 ( 0.903 5.525 -1.100) 5.705 2.722 ( 0.997 7.360 2.937) 7.987 2.852 ( -3.264 0.579 1.141) 3.506 2.896 ( 7.761 2.797 0.333) 8.256 2.964 ( -1.988 4.267 -0.872) 4.787 3.014 ( 7.398 -3.130 -1.714) 8.214 3.081 ( -1.382 -3.719 0.937) 4.077 3.105 ( 3.385 -2.181 -1.838) 4.426 3.242 ( -0.999 0.667 -0.966) 1.541 3.348 ( -1.152 -3.046 -0.021) 3.256 3.409 ( -4.687 1.526 5.016) 7.032 3.506 ( 3.408 -1.951 1.287) 4.132 3.646 ( -1.172 1.817 -2.213) 3.094 3.661 ( 0.759 -0.072 -1.304) 1.511 3.864 ( -4.717 0.153 1.363) 4.913 3.922 ( 2.831 0.387 2.193) 3.602 4.085 ( 2.352 2.333 0.907) 3.435 4.179 ( 3.796 4.976 3.495) 7.168 4.236 ( -0.419 4.467 -2.109) 4.958 4.347 ( 2.247 0.338 -2.164) 3.138 4.428 ( -0.013 4.172 -1.827) 4.555 4.476 ( 0.933 2.485 -0.533) 2.708 4.583 ( 4.668 5.967 -0.006) 7.576 4.643 ( 2.490 11.050 3.201) 11.771 4.791 ( -2.874 9.055 0.696) 9.526 4.900 ( 0.297 13.315 2.327) 13.520 4.972 ( -3.307 16.789 -4.447) 17.680 5.117 ( -3.595 -0.848 1.978) 4.190 5.192 ( -11.502 0.264 -0.978) 11.546 5.300 ( -4.533 3.329 -0.585) 5.654 5.487 ( 4.778 -1.798 2.029) 5.493 5.691 ( 5.416 -0.299 -0.288) 5.432 5.746 ( 5.319 7.928 0.094) 9.548 5.892 ( 3.832 1.029 1.751) 4.337 6.033 ( -1.216 1.208 -4.245) 4.578 6.318 ( -2.289 0.915 -2.310) 3.379 6.449 ( -6.073 3.637 1.377) 7.211 6.713 ( -10.248 12.109 5.930) 16.936 6.818 ( 7.468 14.600 -3.275) 16.723 6.967 ( -5.122 11.638 0.989) 12.753 7.101 ( 0.546 12.199 -1.235) 12.274 7.263 ( 1.056 13.910 -0.970) 13.984 7.475 ( 1.823 12.905 -1.165) 13.085 7.657 ( 3.687 13.605 1.539) 14.179 7.816 ( -0.128 5.948 1.806) 6.218 7.968 ( -0.424 -3.648 -1.481) 3.960 8.106 ( 1.267 0.074 -1.355) 1.856 8.201 ( -0.497 0.285 -0.990) 1.143 8.432 ( 0.515 -4.494 -1.662) 4.819 8.482 ( -8.172 3.368 3.233) 9.412 8.528 ( 0.380 2.629 0.464) 2.696 8.722 ( 0.076 1.807 -2.537) 3.116 8.871 ( 1.180 7.845 2.984) 8.476 8.958 ( 4.051 3.020 0.960) 5.143 9.176 ( 4.151 6.870 -1.879) 8.244 9.481 ( 1.591 7.173 -0.514) 7.365 9.592 ( -6.577 9.470 1.817) 11.672 9.874 ( 0.954 6.079 -1.501) 6.334 10.047 ( 2.150 17.583 -1.312) 17.763 10.165 ( -7.330 2.677 3.687) 8.631 10.310 ( 2.555 3.526 -1.922) 4.760 10.444 ( 0.035 2.240 0.149) 2.246 10.523 ( -2.075 4.875 -0.715) 5.346 10.986 ( -3.350 1.544 -3.884) 5.357 11.096 ( -2.614 1.616 5.144) 5.993 11.321 ( 4.849 3.506 3.860) 7.120 11.461 ( 11.655 1.941 -6.128) 13.310 11.736 ( 0.601 13.789 0.085) 13.802 11.798 ( -3.047 7.872 0.131) 8.442 12.152 ( -2.133 -2.460 -1.120) 3.444 12.186 ( 1.559 -5.334 1.906) 5.875 12.410 ( -5.456 -9.194 3.369) 11.210 12.602 ( -1.178 -10.203 -1.672) 10.406 12.700 ( 0.761 -19.522 -1.573) 19.600 12.800 ( 1.661 -7.954 -0.727) 8.158 12.884 ( -1.882 -14.487 0.339) 14.613 13.001 ( 1.037 -3.286 0.491) 3.481 13.070 ( -0.830 -5.931 1.670) 6.217 13.121 ( 0.486 -4.276 -1.879) 4.696 13.239 ( 5.152 -5.817 -1.002) 7.835 13.491 ( -6.844 -10.835 1.296) 12.881 13.692 ( 0.726 -21.478 -0.011) 21.491 13.749 ( 0.525 -19.697 -0.052) 19.704 13.943 ( 1.687 -21.117 -1.084) 21.212 14.048 ( 0.418 -22.466 0.667) 22.480 14.272 ( -0.484 -14.956 1.163) 15.009 14.336 ( 0.894 -10.793 -0.878) 10.865 14.398 ( -1.744 -13.598 0.133) 13.710 14.417 ( -1.415 -8.839 0.213) 8.954 14.516 ( 1.512 -13.245 -0.337) 13.336 14.582 ( 1.905 -15.597 0.330) 15.716 16.651 ( -0.394 27.172 0.165) 27.176 17.065 ( -3.468 23.169 0.359) 23.430 17.656 ( 3.246 10.528 -0.192) 11.018 17.822 ( 5.411 11.820 -0.323) 13.004 19.143 ( -7.057 29.859 -0.283) 30.683 19.213 ( -7.623 28.527 0.257) 29.529 20.145 ( 5.964 -0.061 0.872) 6.027 20.175 ( 9.887 1.092 -0.864) 9.984 21.095 ( 2.248 -5.736 -0.016) 6.161 21.159 ( 0.513 -6.057 0.679) 6.117 21.611 ( -2.817 -11.099 -1.242) 11.518 21.724 ( -4.992 -13.410 0.131) 14.310 22.351 ( -3.719 5.470 -0.324) 6.622 22.380 ( -1.442 6.887 0.295) 7.043 22.729 ( 0.133 5.625 0.039) 5.627 22.865 ( -0.045 4.419 0.072) 4.420 27.369 ( -0.203 8.000 0.220) 8.005 27.410 ( 0.928 8.743 -2.813) 9.231 27.459 ( -1.586 8.990 2.534) 9.474 27.746 ( -0.054 7.770 -0.158) 7.772 28.215 ( 1.483 13.340 -0.506) 13.432 28.234 ( 1.905 13.755 -0.223) 13.888 28.349 ( -1.052 12.585 1.303) 12.696 28.381 ( -2.937 9.669 -0.286) 10.110 28.951 ( 3.687 5.550 -0.155) 6.665 29.081 ( -0.403 8.401 1.935) 8.630 29.139 ( 0.737 6.376 -3.601) 7.360 29.305 ( -2.462 -0.639 0.787) 2.662 29.393 ( -2.746 -5.268 -0.613) 5.972 29.415 ( -1.263 -2.982 0.343) 3.257 29.464 ( -1.817 2.629 2.361) 3.973 29.551 ( -1.442 -0.113 -0.083) 1.448 29.864 ( 1.652 3.912 -0.432) 4.268 29.903 ( -0.837 7.696 -0.275) 7.746 30.048 ( 0.957 6.149 -0.274) 6.229 30.238 ( -6.034 -0.619 2.699) 6.639 30.558 ( 3.611 -9.132 -3.705) 10.495 30.643 ( 1.025 -7.670 2.061) 8.008 30.684 ( 3.434 -4.099 -0.383) 5.361 30.812 ( 0.301 -9.961 -4.679) 11.009 30.853 ( -0.511 -5.980 0.288) 6.009 30.877 ( 6.486 -11.468 2.166) 13.352 31.066 ( 0.311 -8.315 2.169) 8.599 31.127 ( -3.201 -14.484 -2.824) 15.100 31.912 ( 0.782 -6.301 0.973) 6.423 31.980 ( 0.637 -6.740 2.019) 7.065 32.069 ( 3.209 -7.645 0.048) 8.292 32.667 ( -2.036 -25.358 -0.789) 25.452 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.000 15.028 -0.000) 15.028 1.502 ( 0.000 10.051 -0.000) 10.051 1.604 ( 0.000 7.839 -0.000) 7.839 1.769 ( 0.000 10.444 -0.000) 10.444 1.863 ( 0.000 3.468 0.000) 3.468 1.937 ( 0.000 2.999 -0.000) 2.999 1.941 ( 0.000 0.855 0.000) 0.855 2.138 ( 0.000 4.071 -0.000) 4.071 2.152 ( 0.000 7.956 0.000) 7.956 2.251 ( -0.000 11.692 0.000) 11.692 2.257 ( 0.000 6.026 -0.000) 6.026 2.306 ( 0.000 5.051 0.000) 5.051 2.427 ( 0.000 -3.323 0.000) 3.323 2.458 ( 0.000 4.678 -0.000) 4.678 2.496 ( -0.000 2.906 0.000) 2.906 2.517 ( 0.000 3.700 -0.000) 3.700 2.560 ( 0.000 2.238 0.000) 2.238 2.631 ( 0.000 5.225 0.000) 5.225 2.763 ( 0.000 9.702 0.000) 9.702 2.783 ( 0.000 3.839 -0.000) 3.839 2.905 ( 0.000 2.858 0.000) 2.858 3.033 ( 0.000 0.058 0.000) 0.058 3.048 ( -0.000 -1.863 0.000) 1.863 3.094 ( 0.000 6.469 -0.000) 6.469 3.175 ( 0.000 -4.778 -0.000) 4.778 3.241 ( 0.000 1.541 0.000) 1.541 3.274 ( 0.000 -2.844 0.000) 2.844 3.383 ( 0.000 2.260 -0.000) 2.260 3.567 ( 0.000 3.892 -0.000) 3.892 3.617 ( 0.000 -7.575 0.000) 7.575 3.667 ( 0.000 -1.443 -0.000) 1.443 3.795 ( 0.000 -0.172 0.000) 0.172 3.954 ( 0.000 1.478 -0.000) 1.478 4.101 ( 0.000 2.148 0.000) 2.148 4.181 ( 0.000 10.328 0.000) 10.328 4.374 ( -0.000 0.432 -0.000) 0.432 4.375 ( 0.000 -1.438 0.000) 1.438 4.411 ( -0.000 10.953 -0.000) 10.953 4.431 ( 0.000 -6.443 0.000) 6.443 4.602 ( 0.000 10.293 0.000) 10.293 4.723 ( 0.000 8.877 0.000) 8.877 4.791 ( 0.000 9.081 -0.000) 9.081 4.877 ( 0.000 12.849 -0.000) 12.849 4.939 ( 0.000 5.854 0.000) 5.854 5.004 ( 0.000 5.952 -0.000) 5.952 5.114 ( 0.000 2.350 0.000) 2.350 5.234 ( 0.000 1.344 -0.000) 1.344 5.537 ( 0.000 -2.941 0.000) 2.941 5.783 ( -0.000 -1.109 0.000) 1.109 5.788 ( 0.000 8.156 -0.000) 8.156 5.924 ( 0.000 -2.626 0.000) 2.626 6.031 ( -0.000 3.979 0.000) 3.979 6.310 ( -0.000 3.857 0.000) 3.857 6.393 ( 0.000 -1.129 0.000) 1.129 6.550 ( 0.000 13.069 -0.000) 13.069 6.899 ( -0.000 20.804 -0.000) 20.804 6.902 ( 0.000 13.138 0.000) 13.138 7.102 ( 0.000 13.304 0.000) 13.304 7.294 ( 0.000 11.735 0.000) 11.735 7.502 ( -0.000 14.293 -0.000) 14.293 7.686 ( 0.000 13.580 0.000) 13.580 7.818 ( 0.000 3.138 -0.000) 3.138 7.964 ( 0.000 -3.560 -0.000) 3.560 8.143 ( 0.000 -2.087 -0.000) 2.087 8.164 ( 0.000 1.839 0.000) 1.839 8.389 ( 0.000 0.265 -0.000) 0.265 8.438 ( 0.000 -0.056 0.000) 0.056 8.540 ( 0.000 -3.227 0.000) 3.227 8.740 ( 0.000 3.143 -0.000) 3.143 8.870 ( -0.000 10.716 0.000) 10.716 8.994 ( 0.000 4.011 0.000) 4.011 9.225 ( 0.000 9.268 -0.000) 9.268 9.492 ( 0.000 8.312 0.000) 8.312 9.551 ( 0.000 7.299 -0.000) 7.299 9.878 ( 0.000 4.958 0.000) 4.958 10.048 ( 0.000 12.104 0.000) 12.104 10.079 ( 0.000 12.514 0.000) 12.514 10.354 ( -0.000 2.409 -0.000) 2.409 10.426 ( 0.000 4.376 0.000) 4.376 10.512 ( 0.000 -1.765 0.000) 1.765 10.942 ( 0.000 1.431 -0.000) 1.431 11.081 ( 0.000 2.359 0.000) 2.359 11.359 ( 0.000 6.415 -0.000) 6.415 11.668 ( 0.000 11.021 0.000) 11.021 11.684 ( 0.000 -0.247 -0.000) 0.247 11.769 ( 0.000 11.840 0.000) 11.840 12.109 ( 0.000 -3.223 0.000) 3.223 12.214 ( 0.000 -8.734 -0.000) 8.734 12.350 ( 0.000 -5.158 0.000) 5.158 12.578 ( 0.000 -10.850 0.000) 10.850 12.702 ( 0.000 -21.053 0.000) 21.053 12.840 ( 0.000 -17.437 0.000) 17.437 12.842 ( -0.000 -5.926 -0.000) 5.926 13.028 ( 0.000 -5.950 0.000) 5.950 13.053 ( -0.000 -1.997 0.000) 1.997 13.131 ( 0.000 -2.936 -0.000) 2.936 13.335 ( 0.000 -11.524 0.000) 11.524 13.371 ( 0.000 -5.000 0.000) 5.000 13.700 ( 0.000 -22.095 -0.000) 22.095 13.752 ( 0.000 -20.291 0.000) 20.291 13.964 ( 0.000 -19.605 -0.000) 19.605 14.055 ( 0.000 -22.555 0.000) 22.555 14.265 ( 0.000 -15.073 -0.000) 15.073 14.351 ( 0.000 -13.832 -0.000) 13.832 14.373 ( 0.000 -9.473 0.000) 9.473 14.401 ( 0.000 -10.275 0.000) 10.275 14.532 ( 0.000 -11.254 0.000) 11.254 14.605 ( 0.000 -17.858 -0.000) 17.858 16.646 ( 0.000 27.825 0.000) 27.825 17.025 ( 0.000 24.468 0.000) 24.468 17.698 ( 0.000 7.929 -0.000) 7.929 17.888 ( -0.000 9.888 0.000) 9.888 19.055 ( 0.000 30.338 0.000) 30.338 19.125 ( 0.000 29.639 0.000) 29.639 20.216 ( 0.000 0.253 -0.000) 0.253 20.294 ( 0.000 0.846 0.000) 0.846 21.125 ( 0.000 -5.555 0.000) 5.555 21.176 ( 0.000 -3.159 -0.000) 3.159 21.566 ( 0.000 -11.131 -0.000) 11.131 21.652 ( 0.000 -12.551 0.000) 12.551 22.307 ( 0.000 3.697 0.000) 3.697 22.364 ( 0.000 7.034 -0.000) 7.034 22.730 ( 0.000 5.758 0.000) 5.758 22.864 ( 0.000 4.555 0.000) 4.555 27.366 ( 0.000 8.154 -0.000) 8.154 27.429 ( -0.000 10.285 0.000) 10.285 27.432 ( 0.000 7.854 -0.000) 7.854 27.745 ( 0.000 7.616 0.000) 7.616 28.227 ( 0.000 12.422 0.000) 12.422 28.299 ( -0.000 11.837 0.000) 11.837 28.300 ( 0.000 14.306 -0.000) 14.306 28.346 ( 0.000 12.295 0.000) 12.295 29.005 ( 0.000 4.721 -0.000) 4.721 29.077 ( 0.000 8.269 0.000) 8.269 29.146 ( 0.000 6.456 -0.000) 6.456 29.277 ( -0.000 -1.033 -0.000) 1.033 29.322 ( 0.000 -0.381 -0.000) 0.381 29.407 ( 0.000 -2.538 0.000) 2.538 29.458 ( 0.000 0.694 0.000) 0.694 29.537 ( 0.000 0.917 0.000) 0.917 29.885 ( 0.000 8.984 0.000) 8.984 29.894 ( 0.000 0.817 0.000) 0.817 30.060 ( 0.000 5.848 0.000) 5.848 30.175 ( 0.000 0.084 0.000) 0.084 30.589 ( 0.000 -8.907 -0.000) 8.907 30.668 ( 0.000 -8.688 0.000) 8.688 30.698 ( 0.000 -3.812 -0.000) 3.812 30.820 ( 0.000 -9.613 -0.000) 9.613 30.849 ( 0.000 -6.804 0.000) 6.804 31.014 ( 0.000 -8.116 -0.000) 8.116 31.032 ( 0.000 -18.915 0.000) 18.915 31.074 ( 0.000 -9.371 0.000) 9.371 31.921 ( 0.000 -6.502 -0.000) 6.502 31.995 ( 0.000 -7.732 0.000) 7.732 32.107 ( 0.000 -9.190 0.000) 9.190 32.640 ( 0.000 -23.979 0.000) 23.979 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 16.363 0.000) 16.363 1.576 ( 0.000 2.550 0.000) 2.550 1.848 ( 0.000 8.512 0.000) 8.512 1.912 ( 0.000 -1.334 0.000) 1.334 2.061 ( 0.000 17.402 0.000) 17.402 2.071 ( 0.000 1.362 0.000) 1.362 2.082 ( 0.000 4.886 0.000) 4.886 2.146 ( 0.000 4.839 0.000) 4.839 2.210 ( 0.000 2.205 0.000) 2.205 2.274 ( 0.000 3.737 0.000) 3.737 2.295 ( 0.000 -4.818 0.000) 4.818 2.352 ( 0.000 2.179 0.000) 2.179 2.392 ( 0.000 0.508 0.000) 0.508 2.466 ( 0.000 -0.939 0.000) 0.939 2.537 ( 0.000 5.769 0.000) 5.769 2.602 ( 0.000 3.341 0.000) 3.341 2.743 ( 0.000 0.300 0.000) 0.300 2.763 ( 0.000 0.785 0.000) 0.785 2.789 ( 0.000 7.530 0.000) 7.530 2.833 ( 0.000 2.195 0.000) 2.195 2.870 ( 0.000 9.078 0.000) 9.078 2.940 ( 0.000 -0.370 0.000) 0.370 2.993 ( 0.000 -0.283 0.000) 0.283 3.071 ( 0.000 -3.842 0.000) 3.842 3.107 ( 0.000 0.022 0.000) 0.022 3.219 ( 0.000 0.683 0.000) 0.683 3.293 ( 0.000 1.506 0.000) 1.506 3.417 ( 0.000 -0.127 0.000) 0.127 3.543 ( 0.000 0.063 0.000) 0.063 3.570 ( 0.000 -3.928 0.000) 3.928 3.688 ( 0.000 -0.789 0.000) 0.789 3.859 ( 0.000 -3.936 0.000) 3.936 3.926 ( 0.000 -3.646 0.000) 3.646 3.999 ( 0.000 6.736 0.000) 6.736 4.126 ( 0.000 -3.436 0.000) 3.436 4.372 ( 0.000 -5.269 0.000) 5.269 4.387 ( 0.000 3.635 0.000) 3.635 4.451 ( 0.000 5.642 0.000) 5.642 4.533 ( 0.000 1.471 0.000) 1.471 4.554 ( 0.000 0.808 0.000) 0.808 4.764 ( 0.000 7.423 0.000) 7.423 5.055 ( 0.000 8.750 0.000) 8.750 5.114 ( 0.000 5.677 0.000) 5.677 5.203 ( 0.000 -0.247 0.000) 0.247 5.220 ( 0.000 2.383 0.000) 2.383 5.256 ( 0.000 3.409 0.000) 3.409 5.358 ( 0.000 -2.856 0.000) 2.856 5.548 ( 0.000 0.181 0.000) 0.181 5.639 ( 0.000 2.086 0.000) 2.086 5.740 ( 0.000 8.151 0.000) 8.151 5.895 ( 0.000 -1.409 0.000) 1.409 6.114 ( 0.000 3.581 0.000) 3.581 6.438 ( 0.000 8.709 0.000) 8.709 6.659 ( 0.000 -2.343 0.000) 2.343 6.701 ( 0.000 4.241 0.000) 4.241 7.001 ( 0.000 1.471 0.000) 1.471 7.295 ( 0.000 13.046 0.000) 13.046 7.368 ( 0.000 18.509 0.000) 18.509 7.642 ( 0.000 21.049 0.000) 21.049 7.765 ( 0.000 19.546 0.000) 19.546 7.886 ( 0.000 -3.710 0.000) 3.710 7.921 ( 0.000 6.363 0.000) 6.363 7.973 ( 0.000 17.011 0.000) 17.011 8.126 ( 0.000 1.727 0.000) 1.727 8.294 ( 0.000 10.802 0.000) 10.802 8.348 ( 0.000 -2.960 0.000) 2.960 8.594 ( 0.000 -8.329 0.000) 8.329 8.632 ( 0.000 5.214 0.000) 5.214 8.788 ( 0.000 -3.535 0.000) 3.535 8.829 ( 0.000 6.251 0.000) 6.251 8.959 ( 0.000 2.850 0.000) 2.850 9.152 ( 0.000 -3.314 0.000) 3.314 9.690 ( 0.000 14.710 0.000) 14.710 9.907 ( 0.000 11.350 0.000) 11.350 9.962 ( 0.000 5.966 0.000) 5.966 10.226 ( 0.000 4.258 0.000) 4.258 10.300 ( 0.000 7.098 0.000) 7.098 10.447 ( 0.000 3.274 0.000) 3.274 10.490 ( 0.000 14.473 0.000) 14.473 10.784 ( 0.000 6.973 0.000) 6.973 11.094 ( 0.000 -1.025 0.000) 1.025 11.137 ( 0.000 4.993 0.000) 4.993 11.252 ( 0.000 -2.761 0.000) 2.761 11.333 ( 0.000 3.539 0.000) 3.539 11.933 ( 0.000 3.611 0.000) 3.611 11.987 ( 0.000 6.165 0.000) 6.165 12.013 ( 0.000 -12.184 0.000) 12.184 12.049 ( 0.000 -8.475 0.000) 8.475 12.263 ( 0.000 -10.411 0.000) 10.411 12.300 ( 0.000 -15.712 0.000) 15.712 12.444 ( 0.000 -10.945 0.000) 10.945 12.547 ( 0.000 -17.539 0.000) 17.539 12.795 ( 0.000 4.704 0.000) 4.704 12.933 ( 0.000 -5.505 0.000) 5.505 12.948 ( 0.000 -4.681 0.000) 4.681 13.066 ( 0.000 -0.929 0.000) 0.929 13.085 ( 0.000 -4.166 0.000) 4.166 13.279 ( 0.000 -19.681 0.000) 19.681 13.300 ( 0.000 -12.611 0.000) 12.611 13.373 ( 0.000 -16.763 0.000) 16.763 13.539 ( 0.000 -14.413 0.000) 14.413 13.687 ( 0.000 -12.480 0.000) 12.480 13.945 ( 0.000 -16.694 0.000) 16.694 14.047 ( 0.000 -19.332 0.000) 19.332 14.228 ( 0.000 -1.750 0.000) 1.750 14.327 ( 0.000 -4.150 0.000) 4.150 14.328 ( 0.000 -4.936 0.000) 4.936 14.386 ( 0.000 -6.484 0.000) 6.484 17.130 ( 0.000 21.961 0.000) 21.961 17.490 ( 0.000 17.041 0.000) 17.041 17.774 ( 0.000 2.759 0.000) 2.759 17.934 ( 0.000 4.319 0.000) 4.319 19.839 ( 0.000 30.870 0.000) 30.870 19.888 ( 0.000 29.592 0.000) 29.592 20.153 ( 0.000 10.666 0.000) 10.666 20.160 ( 0.000 10.509 0.000) 10.509 20.927 ( 0.000 -8.871 0.000) 8.871 20.986 ( 0.000 -10.005 0.000) 10.005 21.357 ( 0.000 -17.988 0.000) 17.988 21.446 ( 0.000 -20.014 0.000) 20.014 22.514 ( 0.000 5.299 0.000) 5.299 22.529 ( 0.000 6.742 0.000) 6.742 22.771 ( 0.000 -0.545 0.000) 0.545 22.882 ( 0.000 -2.201 0.000) 2.201 27.516 ( 0.000 6.600 0.000) 6.600 27.549 ( 0.000 6.081 0.000) 6.081 27.641 ( 0.000 8.090 0.000) 8.090 27.861 ( 0.000 3.422 0.000) 3.422 28.393 ( 0.000 7.619 0.000) 7.619 28.441 ( 0.000 7.519 0.000) 7.519 28.498 ( 0.000 3.790 0.000) 3.790 28.540 ( 0.000 4.034 0.000) 4.034 29.028 ( 0.000 5.682 0.000) 5.682 29.190 ( 0.000 -0.623 0.000) 0.623 29.204 ( 0.000 0.815 0.000) 0.815 29.293 ( 0.000 -5.907 0.000) 5.907 29.371 ( 0.000 5.470 0.000) 5.470 29.419 ( 0.000 6.579 0.000) 6.579 29.567 ( 0.000 1.361 0.000) 1.361 29.568 ( 0.000 4.326 0.000) 4.326 29.959 ( 0.000 6.256 0.000) 6.256 30.085 ( 0.000 7.300 0.000) 7.300 30.172 ( 0.000 7.028 0.000) 7.028 30.283 ( 0.000 -5.152 0.000) 5.152 30.335 ( 0.000 -4.833 0.000) 4.833 30.486 ( 0.000 -8.200 0.000) 8.200 30.517 ( 0.000 -8.553 0.000) 8.553 30.635 ( 0.000 -8.059 0.000) 8.059 30.687 ( 0.000 -1.132 0.000) 1.132 30.749 ( 0.000 -4.852 0.000) 4.852 30.908 ( 0.000 -9.882 0.000) 9.882 30.931 ( 0.000 -7.243 0.000) 7.243 31.817 ( 0.000 -2.432 0.000) 2.432 31.875 ( 0.000 -3.708 0.000) 3.708 31.921 ( 0.000 -4.734 0.000) 4.734 32.250 ( 0.000 -18.711 0.000) 18.711 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 2.991 7.455 0.774) 8.069 1.660 ( 7.241 13.357 2.370) 15.377 1.841 ( -3.986 9.256 1.167) 10.145 1.879 ( -3.361 8.230 8.372) 12.211 1.974 ( 0.342 3.227 -6.978) 7.696 2.023 ( -2.830 4.024 3.297) 5.922 2.100 ( -2.262 3.329 -3.053) 5.052 2.184 ( -2.308 6.512 0.781) 6.953 2.255 ( 5.125 3.563 -1.204) 6.357 2.271 ( 4.721 5.102 -0.311) 6.958 2.321 ( -0.363 -0.888 -1.545) 1.819 2.374 ( 3.429 -1.389 -0.439) 3.725 2.443 ( 0.727 3.773 -2.070) 4.365 2.496 ( 0.862 2.396 -3.946) 4.696 2.541 ( 1.182 3.213 4.580) 5.719 2.608 ( 1.298 4.345 0.165) 4.538 2.650 ( -5.229 2.653 -1.953) 6.180 2.749 ( -1.245 1.200 -1.253) 2.136 2.819 ( 2.398 1.438 1.770) 3.309 2.873 ( 1.756 -2.070 2.260) 3.533 2.949 ( 6.142 3.644 2.309) 7.505 2.970 ( -0.589 0.879 -2.161) 2.406 2.981 ( 1.014 -0.792 -1.652) 2.094 3.048 ( 1.287 2.175 -0.083) 2.528 3.162 ( 2.309 6.227 -4.663) 8.115 3.217 ( 0.604 -3.673 0.706) 3.789 3.297 ( -1.378 -0.715 1.986) 2.521 3.425 ( -2.109 0.007 1.122) 2.389 3.468 ( 1.637 -0.483 -2.680) 3.178 3.633 ( 0.826 -1.768 0.780) 2.101 3.679 ( -1.205 0.890 -1.955) 2.463 3.891 ( 3.661 -2.846 3.289) 5.685 3.910 ( -2.973 3.413 1.057) 4.648 4.064 ( 7.232 -2.483 1.801) 7.856 4.166 ( 2.790 -1.648 3.176) 4.537 4.335 ( -1.995 0.232 -1.927) 2.784 4.346 ( -3.773 2.953 0.266) 4.799 4.429 ( 1.658 -1.167 -2.508) 3.226 4.480 ( -5.781 -2.072 -3.203) 6.926 4.649 ( 5.927 1.922 0.519) 6.253 4.794 ( 1.900 5.121 4.850) 7.305 4.954 ( -6.226 6.033 -0.287) 8.674 5.070 ( -6.399 1.517 2.561) 7.057 5.096 ( -3.239 0.771 -1.601) 3.695 5.179 ( -9.874 -1.076 -0.716) 9.959 5.221 ( -1.189 5.537 -2.254) 6.095 5.326 ( -2.351 0.727 0.281) 2.477 5.515 ( 0.981 2.099 0.919) 2.493 5.689 ( 4.692 0.944 -0.808) 4.854 5.869 ( 2.967 3.037 -0.440) 4.268 5.917 ( 3.085 -0.163 0.071) 3.090 6.089 ( -1.574 1.098 -0.959) 2.145 6.434 ( 2.707 13.174 -2.164) 13.622 6.510 ( -4.831 6.099 2.958) 8.324 6.881 ( 0.004 4.551 1.085) 4.679 7.044 ( 10.118 6.434 -1.119) 12.042 7.274 ( -2.311 15.102 0.834) 15.301 7.382 ( 1.088 17.053 -0.214) 17.089 7.649 ( 0.497 22.663 0.470) 22.673 7.785 ( 1.681 19.297 -3.354) 19.659 7.865 ( -0.909 -4.968 -0.889) 5.128 7.917 ( -2.163 5.782 1.952) 6.475 7.963 ( -2.510 12.039 3.571) 12.806 8.112 ( -0.596 0.078 -1.881) 1.975 8.287 ( 0.011 10.520 -1.312) 10.602 8.313 ( -1.336 -5.794 -0.119) 5.948 8.482 ( -7.220 -3.085 0.623) 7.876 8.607 ( -2.154 5.043 -2.340) 5.962 8.675 ( -2.688 -6.158 1.535) 6.892 8.994 ( 2.574 3.792 3.707) 5.894 9.024 ( 6.877 2.706 0.655) 7.419 9.219 ( 6.138 -3.324 -4.121) 8.105 9.703 ( 1.245 14.891 -0.284) 14.946 9.807 ( -6.537 12.196 3.371) 14.242 9.973 ( -0.642 4.748 -2.632) 5.466 10.245 ( 2.813 7.412 0.446) 7.941 10.357 ( 2.808 2.956 2.667) 4.872 10.408 ( -1.388 13.931 -4.066) 14.579 10.517 ( 1.171 8.681 2.221) 9.036 10.701 ( -7.086 9.801 -0.668) 12.113 11.005 ( -4.197 1.296 -3.287) 5.486 11.129 ( -0.964 1.323 4.665) 4.944 11.371 ( 9.375 -1.715 -1.585) 9.661 11.459 ( 8.498 0.562 -1.170) 8.596 11.872 ( -4.885 -0.690 -0.277) 4.941 11.938 ( -3.281 1.561 2.704) 4.529 12.018 ( -3.679 -11.830 1.908) 12.535 12.034 ( 0.934 -7.684 -1.605) 7.905 12.255 ( -0.099 -10.010 -0.029) 10.011 12.342 ( 1.785 -11.084 -2.539) 11.510 12.379 ( -2.500 -8.670 0.208) 9.025 12.549 ( -1.146 -15.130 0.261) 15.176 12.789 ( -0.812 1.489 1.574) 2.314 12.940 ( 0.872 -4.039 0.970) 4.244 12.985 ( 2.971 -4.447 -2.652) 5.970 13.026 ( -0.516 -4.325 -0.508) 4.385 13.124 ( 0.333 -5.773 0.639) 5.818 13.249 ( -1.897 -12.357 0.698) 12.521 13.289 ( -0.696 -18.076 0.767) 18.106 13.402 ( 1.361 -14.405 -1.050) 14.507 13.572 ( 2.879 -15.007 -1.138) 15.323 13.668 ( -1.012 -12.635 1.090) 12.722 13.949 ( 0.195 -16.698 0.872) 16.722 14.084 ( 2.138 -16.137 -1.087) 16.315 14.231 ( 0.989 -3.090 -0.532) 3.288 14.301 ( -1.303 -3.979 0.957) 4.295 14.336 ( -0.569 -5.971 0.404) 6.011 14.374 ( -0.854 -7.164 -0.409) 7.226 17.135 ( 0.328 22.189 -0.125) 22.192 17.465 ( -1.804 17.922 0.409) 18.017 17.782 ( 0.592 1.894 0.154) 1.990 17.967 ( 2.491 2.659 -0.385) 3.664 19.742 ( -6.139 31.092 -0.214) 31.693 19.789 ( -5.979 29.956 0.179) 30.547 20.249 ( 5.731 10.173 0.475) 11.686 20.288 ( 8.414 9.963 -0.490) 13.049 20.959 ( 2.796 -8.482 0.712) 8.959 21.018 ( 3.296 -8.976 -0.342) 9.568 21.327 ( -2.822 -17.970 -0.662) 18.202 21.404 ( -3.814 -19.274 0.174) 19.648 22.458 ( -4.261 6.056 0.259) 7.409 22.514 ( -1.121 6.973 -0.316) 7.069 22.773 ( 0.050 -0.862 0.019) 0.864 22.884 ( 0.055 -2.237 0.091) 2.240 27.516 ( -0.040 6.668 0.103) 6.669 27.557 ( 0.726 5.932 -0.874) 6.040 27.630 ( -1.009 8.369 0.748) 8.463 27.860 ( -0.094 3.438 -0.068) 3.440 28.411 ( 1.090 7.063 -0.166) 7.148 28.433 ( 0.137 6.814 -0.292) 6.822 28.507 ( 0.419 4.409 0.738) 4.490 28.526 ( -1.330 4.639 -0.128) 4.827 29.053 ( 2.135 4.682 0.301) 5.154 29.184 ( -0.457 -0.027 0.727) 0.859 29.205 ( 0.169 -0.151 -1.277) 1.297 29.284 ( -0.899 -5.161 -0.112) 5.240 29.346 ( -1.500 7.227 -0.685) 7.413 29.428 ( 0.307 5.719 0.452) 5.745 29.545 ( -1.554 4.796 0.427) 5.060 29.571 ( 0.152 2.360 0.512) 2.420 29.960 ( 0.189 5.810 -0.307) 5.821 30.070 ( -1.063 7.466 -0.198) 7.544 30.177 ( 0.344 6.267 -0.029) 6.276 30.210 ( -3.778 -1.576 1.119) 4.243 30.395 ( 2.882 -7.008 -1.599) 7.744 30.477 ( 0.367 -8.818 0.667) 8.851 30.580 ( 3.169 -9.611 1.410) 10.218 30.633 ( 0.343 -8.399 -1.300) 8.506 30.705 ( 1.692 -2.629 -0.197) 3.133 30.744 ( -0.337 -4.725 0.110) 4.739 30.892 ( -1.678 -9.737 -1.267) 9.962 30.924 ( -0.413 -6.434 0.755) 6.492 31.823 ( 0.431 -2.666 0.267) 2.714 31.877 ( 0.226 -3.630 0.681) 3.701 31.942 ( 1.517 -5.559 -0.119) 5.763 32.241 ( -0.634 -18.099 -0.379) 18.114 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -0.000 9.578 0.000) 9.578 1.697 ( 0.000 17.644 -0.000) 17.644 1.789 ( -0.000 10.432 -0.000) 10.432 1.904 ( 0.000 1.316 0.000) 1.316 1.933 ( 0.000 6.753 -0.000) 6.753 1.982 ( 0.000 3.504 0.000) 3.504 2.053 ( 0.000 8.401 -0.000) 8.401 2.216 ( 0.000 3.377 -0.000) 3.377 2.243 ( -0.000 -5.909 0.000) 5.909 2.295 ( 0.000 7.024 0.000) 7.024 2.383 ( 0.000 3.906 0.000) 3.906 2.433 ( -0.000 4.225 0.000) 4.225 2.434 ( 0.000 1.369 -0.000) 1.369 2.494 ( 0.000 4.173 0.000) 4.173 2.553 ( 0.000 2.329 0.000) 2.329 2.574 ( -0.000 2.048 -0.000) 2.048 2.662 ( 0.000 4.712 0.000) 4.712 2.708 ( -0.000 1.203 0.000) 1.203 2.861 ( 0.000 0.376 0.000) 0.376 2.876 ( 0.000 -2.628 -0.000) 2.628 2.944 ( 0.000 2.309 0.000) 2.309 3.018 ( 0.000 3.047 -0.000) 3.047 3.057 ( 0.000 -6.999 0.000) 6.999 3.068 ( 0.000 6.650 -0.000) 6.650 3.163 ( 0.000 -1.229 0.000) 1.229 3.214 ( 0.000 -0.924 0.000) 0.924 3.262 ( 0.000 1.331 -0.000) 1.331 3.423 ( 0.000 0.212 0.000) 0.212 3.518 ( 0.000 -0.814 -0.000) 0.814 3.626 ( 0.000 -0.442 0.000) 0.442 3.650 ( 0.000 3.968 0.000) 3.968 3.864 ( 0.000 6.496 -0.000) 6.496 3.940 ( 0.000 -1.691 -0.000) 1.691 4.179 ( -0.000 2.041 -0.000) 2.041 4.246 ( -0.000 -4.471 -0.000) 4.471 4.297 ( -0.000 -3.121 0.000) 3.121 4.334 ( 0.000 -2.666 0.000) 2.666 4.352 ( 0.000 0.161 0.000) 0.161 4.447 ( -0.000 -4.509 0.000) 4.509 4.714 ( 0.000 2.334 0.000) 2.334 4.819 ( 0.000 3.028 0.000) 3.028 4.910 ( -0.000 1.440 0.000) 1.440 4.973 ( 0.000 0.641 -0.000) 0.641 5.039 ( 0.000 3.369 0.000) 3.369 5.047 ( 0.000 -1.702 -0.000) 1.702 5.230 ( 0.000 -2.462 -0.000) 2.462 5.277 ( 0.000 9.660 0.000) 9.660 5.525 ( 0.000 0.448 0.000) 0.448 5.760 ( 0.000 -0.358 0.000) 0.358 5.907 ( 0.000 1.516 -0.000) 1.516 5.923 ( 0.000 1.751 -0.000) 1.751 6.053 ( 0.000 -1.943 0.000) 1.943 6.438 ( 0.000 8.567 -0.000) 8.567 6.577 ( -0.000 21.813 0.000) 21.813 6.792 ( 0.000 9.047 -0.000) 9.047 7.210 ( 0.000 7.846 -0.000) 7.846 7.239 ( 0.000 17.189 0.000) 17.189 7.394 ( 0.000 16.517 -0.000) 16.517 7.656 ( -0.000 23.660 0.000) 23.660 7.810 ( 0.000 16.906 -0.000) 16.906 7.858 ( -0.000 3.002 0.000) 3.002 7.866 ( 0.000 -5.388 -0.000) 5.388 7.921 ( 0.000 9.515 0.000) 9.515 8.090 ( 0.000 -2.422 0.000) 2.422 8.286 ( 0.000 9.444 0.000) 9.444 8.299 ( 0.000 -7.481 -0.000) 7.481 8.446 ( -0.000 0.989 -0.000) 0.989 8.565 ( 0.000 5.074 0.000) 5.074 8.650 ( -0.000 -9.972 -0.000) 9.972 9.015 ( -0.000 3.336 0.000) 3.336 9.096 ( 0.000 4.217 -0.000) 4.217 9.296 ( 0.000 -3.156 -0.000) 3.156 9.715 ( 0.000 14.620 0.000) 14.620 9.739 ( 0.000 11.776 -0.000) 11.776 9.957 ( 0.000 4.691 0.000) 4.691 10.294 ( -0.000 13.728 -0.000) 13.728 10.357 ( -0.000 1.821 -0.000) 1.821 10.427 ( 0.000 15.389 0.000) 15.389 10.527 ( 0.000 6.242 0.000) 6.242 10.600 ( 0.000 11.302 0.000) 11.302 10.956 ( 0.000 0.612 -0.000) 0.612 11.128 ( 0.000 1.711 0.000) 1.711 11.477 ( 0.000 2.552 -0.000) 2.552 11.611 ( 0.000 -7.047 -0.000) 7.047 11.744 ( 0.000 -1.952 0.000) 1.952 11.940 ( 0.000 2.680 0.000) 2.680 11.960 ( 0.000 -12.333 0.000) 12.333 12.033 ( 0.000 -10.354 0.000) 10.354 12.250 ( 0.000 -6.976 0.000) 6.976 12.313 ( -0.000 -15.344 -0.000) 15.344 12.411 ( -0.000 -2.269 0.000) 2.269 12.521 ( 0.000 -14.103 0.000) 14.103 12.780 ( 0.000 -0.406 -0.000) 0.406 12.941 ( 0.000 -3.788 0.000) 3.788 13.033 ( -0.000 -5.645 0.000) 5.645 13.056 ( 0.000 -0.709 -0.000) 0.709 13.085 ( -0.000 -12.096 0.000) 12.096 13.238 ( 0.000 -8.008 0.000) 8.008 13.276 ( 0.000 -19.680 -0.000) 19.680 13.413 ( 0.000 -14.255 0.000) 14.255 13.608 ( 0.000 -15.883 -0.000) 15.883 13.664 ( 0.000 -11.206 0.000) 11.206 13.952 ( 0.000 -16.668 0.000) 16.668 14.099 ( 0.000 -12.045 0.000) 12.045 14.262 ( 0.000 -3.367 -0.000) 3.367 14.286 ( 0.000 -3.640 0.000) 3.640 14.315 ( 0.000 -10.611 0.000) 10.611 14.364 ( 0.000 -6.812 -0.000) 6.812 17.138 ( 0.000 22.424 0.000) 22.424 17.444 ( 0.000 18.687 -0.000) 18.687 17.789 ( 0.000 0.931 -0.000) 0.931 17.997 ( -0.000 1.138 0.000) 1.138 19.673 ( 0.000 32.384 0.000) 32.384 19.723 ( 0.000 31.201 0.000) 31.201 20.312 ( 0.000 8.995 -0.000) 8.995 20.383 ( 0.000 7.850 0.000) 7.850 21.001 ( 0.000 -7.454 0.000) 7.454 21.078 ( 0.000 -7.391 0.000) 7.391 21.279 ( 0.000 -18.280 -0.000) 18.280 21.344 ( 0.000 -18.860 0.000) 18.860 22.406 ( 0.000 6.618 0.000) 6.618 22.500 ( 0.000 7.173 -0.000) 7.173 22.773 ( 0.000 -1.163 -0.000) 1.163 22.884 ( 0.000 -2.257 0.000) 2.257 27.515 ( 0.000 6.741 -0.000) 6.741 27.567 ( -0.000 5.528 0.000) 5.528 27.616 ( 0.000 8.893 -0.000) 8.893 27.859 ( 0.000 3.450 0.000) 3.450 28.412 ( 0.000 6.851 0.000) 6.851 28.462 ( -0.000 5.268 -0.000) 5.268 28.491 ( 0.000 5.496 0.000) 5.496 28.516 ( 0.000 5.251 0.000) 5.251 29.084 ( 0.000 3.354 0.000) 3.354 29.179 ( 0.000 0.181 -0.000) 0.181 29.207 ( 0.000 -0.669 0.000) 0.669 29.269 ( 0.000 -3.923 -0.000) 3.923 29.329 ( 0.000 8.309 0.000) 8.309 29.430 ( 0.000 5.805 0.000) 5.805 29.527 ( 0.000 5.438 0.000) 5.438 29.574 ( 0.000 2.638 -0.000) 2.638 29.963 ( 0.000 5.290 0.000) 5.290 30.057 ( 0.000 7.512 0.000) 7.512 30.167 ( 0.000 -0.790 0.000) 0.790 30.184 ( 0.000 6.507 0.000) 6.507 30.424 ( 0.000 -7.369 0.000) 7.369 30.487 ( 0.000 -9.363 0.000) 9.363 30.595 ( 0.000 -8.110 -0.000) 8.110 30.656 ( 0.000 -10.414 -0.000) 10.414 30.726 ( 0.000 -4.717 -0.000) 4.717 30.745 ( 0.000 -5.974 0.000) 5.974 30.863 ( 0.000 -7.362 0.000) 7.362 30.920 ( 0.000 -6.584 -0.000) 6.584 31.828 ( 0.000 -2.822 -0.000) 2.822 31.881 ( 0.000 -3.805 0.000) 3.805 31.960 ( 0.000 -6.235 0.000) 6.235 32.233 ( 0.000 -17.455 0.000) 17.455 ======================= Grid point 25 (16/60) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.000 5.192 0.000) 5.192 1.755 ( 0.000 -2.942 0.000) 2.942 1.926 ( 0.000 9.341 0.000) 9.341 2.017 ( 0.000 6.449 0.000) 6.449 2.075 ( 0.000 -0.337 0.000) 0.337 2.100 ( 0.000 -4.476 0.000) 4.476 2.210 ( 0.000 -0.878 0.000) 0.878 2.217 ( 0.000 1.638 0.000) 1.638 2.263 ( 0.000 3.005 0.000) 3.005 2.291 ( 0.000 3.792 0.000) 3.792 2.360 ( 0.000 2.415 0.000) 2.415 2.390 ( 0.000 -0.408 0.000) 0.408 2.410 ( 0.000 5.239 0.000) 5.239 2.470 ( 0.000 -0.185 0.000) 0.185 2.584 ( 0.000 0.548 0.000) 0.548 2.613 ( 0.000 -1.795 0.000) 1.795 2.766 ( 0.000 -0.582 0.000) 0.582 2.777 ( 0.000 1.005 0.000) 1.005 2.808 ( 0.000 -0.074 0.000) 0.074 2.853 ( 0.000 1.423 0.000) 1.423 2.894 ( 0.000 -3.844 0.000) 3.844 2.914 ( 0.000 -2.936 0.000) 2.936 3.045 ( 0.000 3.686 0.000) 3.686 3.102 ( 0.000 -1.439 0.000) 1.439 3.164 ( 0.000 9.962 0.000) 9.962 3.275 ( 0.000 -2.868 0.000) 2.868 3.308 ( 0.000 7.570 0.000) 7.570 3.428 ( 0.000 -1.386 0.000) 1.386 3.507 ( 0.000 -1.997 0.000) 1.997 3.516 ( 0.000 -1.913 0.000) 1.913 3.678 ( 0.000 0.908 0.000) 0.908 3.752 ( 0.000 -6.268 0.000) 6.268 3.918 ( 0.000 3.126 0.000) 3.126 4.020 ( 0.000 -6.439 0.000) 6.439 4.156 ( 0.000 7.838 0.000) 7.838 4.272 ( 0.000 -4.552 0.000) 4.552 4.429 ( 0.000 1.249 0.000) 1.249 4.482 ( 0.000 -4.375 0.000) 4.375 4.551 ( 0.000 3.524 0.000) 3.524 4.577 ( 0.000 0.545 0.000) 0.545 4.946 ( 0.000 11.233 0.000) 11.233 5.120 ( 0.000 -4.226 0.000) 4.226 5.150 ( 0.000 2.127 0.000) 2.127 5.212 ( 0.000 -3.895 0.000) 3.895 5.271 ( 0.000 0.204 0.000) 0.204 5.273 ( 0.000 3.920 0.000) 3.920 5.323 ( 0.000 2.227 0.000) 2.227 5.459 ( 0.000 -7.399 0.000) 7.399 5.710 ( 0.000 4.952 0.000) 4.952 5.816 ( 0.000 -5.569 0.000) 5.569 5.902 ( 0.000 8.627 0.000) 8.627 6.074 ( 0.000 -7.858 0.000) 7.858 6.620 ( 0.000 7.769 0.000) 7.769 6.720 ( 0.000 -2.163 0.000) 2.163 6.749 ( 0.000 10.851 0.000) 10.851 6.939 ( 0.000 -7.134 0.000) 7.134 7.519 ( 0.000 10.386 0.000) 10.386 7.704 ( 0.000 -8.585 0.000) 8.585 7.724 ( 0.000 15.777 0.000) 15.777 7.905 ( 0.000 0.171 0.000) 0.171 8.033 ( 0.000 3.944 0.000) 3.944 8.070 ( 0.000 -0.171 0.000) 0.171 8.173 ( 0.000 8.061 0.000) 8.061 8.268 ( 0.000 19.688 0.000) 19.688 8.347 ( 0.000 -6.504 0.000) 6.504 8.498 ( 0.000 7.892 0.000) 7.892 8.566 ( 0.000 3.609 0.000) 3.609 8.627 ( 0.000 -5.612 0.000) 5.612 8.725 ( 0.000 2.540 0.000) 2.540 8.857 ( 0.000 -4.166 0.000) 4.166 8.985 ( 0.000 0.885 0.000) 0.885 9.049 ( 0.000 -5.517 0.000) 5.517 9.994 ( 0.000 12.875 0.000) 12.875 10.053 ( 0.000 2.227 0.000) 2.227 10.067 ( 0.000 7.584 0.000) 7.584 10.284 ( 0.000 -8.126 0.000) 8.126 10.452 ( 0.000 16.932 0.000) 16.932 10.594 ( 0.000 10.711 0.000) 10.711 10.709 ( 0.000 3.109 0.000) 3.109 10.748 ( 0.000 -10.179 0.000) 10.179 11.095 ( 0.000 1.108 0.000) 1.108 11.149 ( 0.000 -3.507 0.000) 3.507 11.288 ( 0.000 6.312 0.000) 6.312 11.376 ( 0.000 -0.848 0.000) 0.848 11.784 ( 0.000 -5.980 0.000) 5.980 11.843 ( 0.000 -8.934 0.000) 8.934 11.955 ( 0.000 1.099 0.000) 1.099 12.036 ( 0.000 -2.313 0.000) 2.313 12.119 ( 0.000 -3.147 0.000) 3.147 12.139 ( 0.000 -3.295 0.000) 3.295 12.246 ( 0.000 -7.456 0.000) 7.456 12.268 ( 0.000 -9.297 0.000) 9.297 12.831 ( 0.000 -1.272 0.000) 1.272 12.885 ( 0.000 4.019 0.000) 4.019 12.904 ( 0.000 -3.159 0.000) 3.159 12.976 ( 0.000 -7.882 0.000) 7.882 13.019 ( 0.000 -3.274 0.000) 3.274 13.022 ( 0.000 -5.824 0.000) 5.824 13.175 ( 0.000 -1.499 0.000) 1.499 13.180 ( 0.000 -0.557 0.000) 0.557 13.444 ( 0.000 3.900 0.000) 3.900 13.568 ( 0.000 1.014 0.000) 1.014 13.638 ( 0.000 -14.468 0.000) 14.468 13.724 ( 0.000 -13.400 0.000) 13.400 14.231 ( 0.000 1.683 0.000) 1.683 14.269 ( 0.000 -1.370 0.000) 1.370 14.271 ( 0.000 -1.523 0.000) 1.523 14.286 ( 0.000 -3.938 0.000) 3.938 17.496 ( 0.000 15.504 0.000) 15.504 17.723 ( 0.000 -7.589 0.000) 7.589 17.767 ( 0.000 11.387 0.000) 11.387 17.925 ( 0.000 -4.715 0.000) 4.715 20.402 ( 0.000 24.798 0.000) 24.798 20.408 ( 0.000 13.656 0.000) 13.656 20.418 ( 0.000 14.556 0.000) 14.556 20.432 ( 0.000 23.964 0.000) 23.964 20.728 ( 0.000 -10.314 0.000) 10.314 20.778 ( 0.000 -8.733 0.000) 8.733 20.954 ( 0.000 -23.093 0.000) 23.093 21.017 ( 0.000 -23.404 0.000) 23.404 22.620 ( 0.000 5.539 0.000) 5.539 22.664 ( 0.000 7.142 0.000) 7.142 22.719 ( 0.000 -4.329 0.000) 4.329 22.797 ( 0.000 -6.136 0.000) 6.136 27.612 ( 0.000 2.978 0.000) 2.978 27.625 ( 0.000 1.639 0.000) 1.639 27.783 ( 0.000 6.333 0.000) 6.333 27.872 ( 0.000 -2.301 0.000) 2.301 28.498 ( 0.000 3.490 0.000) 3.490 28.533 ( 0.000 -0.050 0.000) 0.050 28.533 ( 0.000 2.747 0.000) 2.747 28.567 ( 0.000 -0.675 0.000) 0.675 29.119 ( 0.000 3.830 0.000) 3.830 29.165 ( 0.000 -1.056 0.000) 1.056 29.176 ( 0.000 -1.362 0.000) 1.362 29.199 ( 0.000 -3.853 0.000) 3.853 29.523 ( 0.000 6.466 0.000) 6.466 29.542 ( 0.000 4.168 0.000) 4.168 29.614 ( 0.000 2.660 0.000) 2.660 29.635 ( 0.000 1.471 0.000) 1.471 30.057 ( 0.000 3.601 0.000) 3.601 30.125 ( 0.000 -3.255 0.000) 3.255 30.226 ( 0.000 0.337 0.000) 0.337 30.249 ( 0.000 -0.245 0.000) 0.245 30.328 ( 0.000 1.602 0.000) 1.602 30.365 ( 0.000 0.825 0.000) 0.825 30.373 ( 0.000 -4.992 0.000) 4.992 30.485 ( 0.000 -7.344 0.000) 7.344 30.681 ( 0.000 0.216 0.000) 0.216 30.735 ( 0.000 3.322 0.000) 3.322 30.746 ( 0.000 -6.212 0.000) 6.212 30.818 ( 0.000 -4.983 0.000) 4.983 31.807 ( 0.000 0.971 0.000) 0.971 31.844 ( 0.000 -3.015 0.000) 3.015 31.851 ( 0.000 2.009 0.000) 2.009 31.970 ( 0.000 -10.194 0.000) 10.194 ======================= Grid point 26 (17/60) ======================= q-point: ( 0.25 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 8.392 7.768 -2.382) 11.681 1.844 ( 5.931 0.326 1.900) 6.236 1.960 ( 0.269 6.171 -0.277) 6.183 1.978 ( 1.148 5.332 2.068) 5.833 2.015 ( -2.603 0.628 -0.808) 2.796 2.104 ( -1.412 -3.480 -0.879) 3.857 2.192 ( -3.111 8.783 1.175) 9.391 2.254 ( 2.245 -2.165 0.639) 3.184 2.276 ( 3.153 -0.165 0.354) 3.177 2.324 ( -4.154 5.631 4.658) 8.406 2.346 ( 1.956 -0.498 -1.037) 2.269 2.393 ( 3.051 1.698 -2.152) 4.102 2.473 ( 5.315 1.546 -4.357) 7.044 2.531 ( 2.924 1.462 -0.194) 3.275 2.581 ( -0.423 -0.088 -0.487) 0.651 2.640 ( 1.371 -2.997 1.277) 3.534 2.665 ( -4.789 -0.225 -0.420) 4.813 2.717 ( -2.752 -0.976 -3.195) 4.328 2.824 ( 0.481 1.128 1.280) 1.773 2.838 ( -0.678 0.448 4.367) 4.442 2.880 ( -2.575 -2.895 2.147) 4.429 2.939 ( 0.919 -5.159 -2.765) 5.925 3.080 ( 3.181 5.153 -0.064) 6.056 3.158 ( 1.954 -2.764 0.398) 3.408 3.197 ( 2.928 8.287 1.577) 8.929 3.262 ( -1.335 1.561 0.017) 2.054 3.306 ( 0.493 2.966 -3.197) 4.389 3.386 ( -2.592 -3.687 -2.141) 4.990 3.515 ( 3.525 4.324 -0.031) 5.579 3.589 ( 2.542 -2.969 1.841) 4.320 3.711 ( 2.951 3.231 -1.674) 4.685 3.810 ( 4.828 -5.593 0.899) 7.443 3.953 ( 3.237 2.525 2.879) 5.014 4.032 ( 2.381 -4.118 1.452) 4.974 4.170 ( 0.160 4.574 0.936) 4.671 4.268 ( -1.064 -4.390 -2.340) 5.087 4.370 ( -3.775 -0.241 -2.259) 4.406 4.410 ( -5.743 -4.086 -2.577) 7.504 4.524 ( -2.609 8.180 1.710) 8.754 4.644 ( 3.870 -3.156 2.920) 5.785 4.887 ( -3.654 4.907 1.736) 6.359 4.981 ( -9.500 -4.171 -0.610) 10.394 5.068 ( -8.041 3.585 -0.519) 8.820 5.138 ( -8.984 -1.241 -0.483) 9.082 5.144 ( -5.032 0.426 -1.608) 5.300 5.201 ( -2.472 -3.712 -0.650) 4.507 5.398 ( 2.230 4.759 0.868) 5.327 5.490 ( 1.224 -4.092 0.729) 4.333 5.741 ( 3.480 4.237 -1.801) 5.771 5.837 ( 2.181 -4.952 -1.996) 5.768 5.950 ( 2.018 3.810 0.723) 4.372 6.035 ( -2.414 -4.686 1.496) 5.479 6.684 ( -0.860 9.533 4.605) 10.621 6.726 ( 8.252 9.982 0.236) 12.954 6.915 ( 7.682 2.100 -2.627) 8.386 7.044 ( 12.390 -5.808 -1.892) 13.814 7.514 ( -0.711 10.401 0.906) 10.465 7.681 ( -0.838 0.615 1.977) 2.233 7.731 ( -0.716 5.315 -1.709) 5.629 7.900 ( -0.918 -1.714 0.131) 1.949 8.019 ( -2.299 3.790 -1.537) 4.692 8.074 ( -0.412 -1.220 1.095) 1.690 8.136 ( -3.417 9.017 -1.406) 9.744 8.218 ( -3.808 15.742 0.560) 16.206 8.296 ( -2.461 0.006 -2.206) 3.305 8.414 ( -5.034 4.883 1.231) 7.121 8.482 ( -6.273 -5.303 0.642) 8.239 8.556 ( -4.978 -1.443 3.605) 6.314 8.736 ( 2.159 11.307 -2.092) 11.700 8.994 ( 8.006 -9.456 0.541) 12.402 9.021 ( 2.327 1.147 1.512) 3.003 9.088 ( 2.862 -5.960 -3.277) 7.379 9.976 ( -1.330 9.388 0.167) 9.484 10.044 ( -0.984 2.506 0.334) 2.713 10.052 ( -1.379 13.020 0.657) 13.110 10.284 ( -0.192 -7.684 0.666) 7.715 10.484 ( 3.781 14.268 -2.155) 14.917 10.656 ( 4.875 8.950 1.166) 10.258 10.725 ( -1.001 1.689 0.571) 2.045 10.740 ( 1.143 0.101 -1.413) 1.820 11.101 ( -0.049 4.113 1.752) 4.471 11.150 ( -0.715 2.454 -1.898) 3.184 11.272 ( 1.019 -2.129 0.392) 2.392 11.424 ( 2.322 -7.715 0.792) 8.096 11.759 ( -1.187 -7.802 0.586) 7.914 11.774 ( -4.309 -7.926 -1.173) 9.097 11.854 ( -6.913 0.641 1.191) 7.044 11.954 ( -6.078 -6.725 0.028) 9.064 12.158 ( 2.723 -0.182 -0.650) 2.805 12.181 ( 0.937 -3.473 -0.770) 3.678 12.284 ( 3.036 -5.357 0.280) 6.164 12.316 ( 3.368 -6.628 -0.193) 7.437 12.839 ( -1.029 1.635 0.996) 2.173 12.866 ( 0.006 -1.009 1.280) 1.630 12.914 ( 0.997 -1.876 -2.840) 3.546 12.979 ( -2.103 -4.913 -1.149) 5.466 12.993 ( 0.571 -3.567 0.763) 3.692 13.023 ( -0.184 -5.231 1.009) 5.330 13.131 ( -0.626 -1.176 0.004) 1.332 13.207 ( -0.768 -7.137 0.040) 7.178 13.453 ( 0.732 3.556 0.543) 3.671 13.597 ( 3.188 3.716 -0.856) 4.970 13.647 ( 0.328 -13.028 1.511) 13.120 13.791 ( 4.950 -13.369 -1.271) 14.313 14.214 ( -1.209 0.996 -0.035) 1.567 14.253 ( -1.451 -1.512 0.284) 2.115 14.262 ( -1.551 -2.171 0.517) 2.718 14.272 ( -0.398 -3.014 -0.479) 3.077 17.501 ( 0.385 15.381 -0.145) 15.386 17.722 ( 0.099 -6.149 -0.044) 6.150 17.760 ( -0.649 10.780 0.307) 10.804 17.933 ( 0.577 -5.707 -0.085) 5.737 20.313 ( -3.581 26.161 -0.308) 26.407 20.333 ( -3.418 24.249 0.259) 24.490 20.484 ( 2.340 10.752 0.159) 11.004 20.523 ( 3.763 12.015 -0.150) 12.591 20.766 ( 3.629 -10.326 0.148) 10.946 20.820 ( 3.992 -8.876 -0.005) 9.733 20.934 ( -2.121 -21.189 -0.047) 21.295 20.998 ( -1.995 -21.255 -0.131) 21.349 22.586 ( -2.604 6.856 0.110) 7.335 22.655 ( -0.631 7.391 -0.358) 7.427 22.709 ( -0.894 -5.158 0.244) 5.241 22.795 ( -0.156 -6.394 0.032) 6.396 27.613 ( 0.095 3.095 0.014) 3.097 27.630 ( 0.347 1.456 -0.111) 1.501 27.777 ( -0.530 6.556 0.088) 6.578 27.869 ( -0.209 -2.463 -0.030) 2.472 28.506 ( 0.506 3.054 0.080) 3.096 28.519 ( -0.210 2.407 -0.297) 2.434 28.547 ( 0.278 0.360 0.520) 0.691 28.561 ( -0.407 -0.359 -0.291) 0.616 29.126 ( 0.514 2.831 -0.001) 2.878 29.162 ( -0.279 -1.275 0.175) 1.317 29.177 ( 0.289 -0.871 -0.348) 0.981 29.202 ( 0.150 -3.175 0.212) 3.186 29.510 ( -0.841 6.766 -0.154) 6.820 29.544 ( 0.046 3.585 0.061) 3.586 29.621 ( 0.490 2.696 -0.159) 2.744 29.630 ( -0.395 2.266 0.328) 2.324 30.055 ( -0.090 3.500 0.067) 3.502 30.112 ( -1.042 -2.497 -0.032) 2.706 30.210 ( -0.905 2.135 -0.087) 2.321 30.255 ( 0.116 -1.643 -0.221) 1.662 30.335 ( 0.798 0.124 -0.098) 0.814 30.365 ( 0.437 2.199 -0.267) 2.258 30.400 ( 1.417 -6.834 0.903) 7.038 30.481 ( -0.286 -7.059 -0.229) 7.068 30.681 ( 0.018 -0.092 0.157) 0.183 30.736 ( 0.070 3.145 -0.225) 3.154 30.741 ( -0.424 -5.822 -0.283) 5.844 30.815 ( -0.239 -4.834 0.176) 4.843 31.811 ( 0.307 1.064 0.073) 1.109 31.853 ( 0.519 -1.475 0.830) 1.770 31.856 ( 0.447 0.037 -0.727) 0.855 31.970 ( 0.005 -9.920 -0.125) 9.921 ======================= Grid point 27 (18/60) ======================= q-point: (-0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.000 5.559 -0.000) 5.559 1.896 ( 0.000 0.382 0.000) 0.382 1.973 ( -0.000 7.539 -0.000) 7.539 2.000 ( 0.000 6.253 0.000) 6.253 2.063 ( 0.000 7.614 -0.000) 7.614 2.080 ( 0.000 5.882 -0.000) 5.882 2.153 ( -0.000 -2.640 0.000) 2.640 2.179 ( -0.000 0.592 -0.000) 0.592 2.265 ( -0.000 4.670 0.000) 4.670 2.363 ( 0.000 -2.907 0.000) 2.907 2.375 ( 0.000 -1.401 -0.000) 1.401 2.438 ( 0.000 2.565 0.000) 2.565 2.523 ( 0.000 2.380 -0.000) 2.380 2.554 ( 0.000 -1.296 0.000) 1.296 2.574 ( -0.000 -3.214 -0.000) 3.214 2.619 ( -0.000 0.463 0.000) 0.463 2.652 ( 0.000 2.454 -0.000) 2.454 2.691 ( 0.000 -0.041 0.000) 0.041 2.836 ( 0.000 -1.409 0.000) 1.409 2.838 ( -0.000 1.230 -0.000) 1.230 2.890 ( 0.000 -5.146 0.000) 5.146 2.906 ( 0.000 -7.633 -0.000) 7.633 3.119 ( -0.000 4.377 0.000) 4.377 3.158 ( 0.000 0.712 -0.000) 0.712 3.233 ( 0.000 4.684 0.000) 4.684 3.268 ( 0.000 7.306 -0.000) 7.306 3.285 ( 0.000 0.007 0.000) 0.007 3.376 ( 0.000 -3.927 -0.000) 3.927 3.563 ( 0.000 3.308 0.000) 3.308 3.611 ( 0.000 -1.344 -0.000) 1.344 3.754 ( 0.000 6.508 0.000) 6.508 3.882 ( -0.000 -5.132 -0.000) 5.132 4.000 ( 0.000 6.327 -0.000) 6.327 4.112 ( -0.000 -6.759 -0.000) 6.759 4.153 ( 0.000 1.044 0.000) 1.044 4.248 ( 0.000 -6.152 0.000) 6.152 4.288 ( 0.000 -0.259 0.000) 0.259 4.330 ( 0.000 -5.322 0.000) 5.322 4.488 ( 0.000 11.721 -0.000) 11.721 4.689 ( 0.000 -6.443 0.000) 6.443 4.853 ( -0.000 0.551 -0.000) 0.551 4.869 ( 0.000 -2.507 0.000) 2.507 4.983 ( 0.000 0.751 0.000) 0.751 5.006 ( 0.000 -1.669 0.000) 1.669 5.095 ( 0.000 3.084 0.000) 3.084 5.164 ( 0.000 -3.766 0.000) 3.766 5.417 ( 0.000 5.258 0.000) 5.258 5.499 ( 0.000 -3.159 -0.000) 3.159 5.788 ( 0.000 3.147 0.000) 3.147 5.865 ( 0.000 -4.112 -0.000) 4.112 5.966 ( 0.000 2.307 -0.000) 2.307 6.008 ( 0.000 -2.141 0.000) 2.141 6.671 ( 0.000 12.388 -0.000) 12.388 6.841 ( -0.000 -3.908 0.000) 3.908 6.999 ( 0.000 18.640 -0.000) 18.640 7.233 ( 0.000 -5.121 -0.000) 5.121 7.500 ( 0.000 10.578 0.000) 10.578 7.693 ( 0.000 13.042 0.000) 13.042 7.694 ( -0.000 -9.801 -0.000) 9.801 7.878 ( 0.000 -3.810 -0.000) 3.810 7.953 ( 0.000 5.685 -0.000) 5.685 8.048 ( 0.000 -4.083 0.000) 4.083 8.101 ( 0.000 10.848 -0.000) 10.848 8.185 ( -0.000 14.466 -0.000) 14.466 8.283 ( -0.000 5.939 0.000) 5.939 8.360 ( 0.000 -2.890 -0.000) 2.890 8.414 ( -0.000 -7.539 0.000) 7.539 8.493 ( 0.000 -0.226 -0.000) 0.226 8.764 ( 0.000 14.921 0.000) 14.921 9.040 ( 0.000 0.966 0.000) 0.966 9.100 ( -0.000 -15.057 -0.000) 15.057 9.110 ( 0.000 -2.693 0.000) 2.693 9.959 ( 0.000 9.220 -0.000) 9.220 10.029 ( -0.000 16.085 -0.000) 16.085 10.036 ( 0.000 1.538 0.000) 1.538 10.279 ( -0.000 -8.577 -0.000) 8.577 10.550 ( -0.000 11.617 -0.000) 11.617 10.696 ( 0.000 1.237 0.000) 1.237 10.729 ( -0.000 11.647 -0.000) 11.647 10.751 ( 0.000 6.708 0.000) 6.708 11.088 ( 0.000 13.524 -0.000) 13.524 11.140 ( 0.000 3.295 0.000) 3.295 11.306 ( 0.000 -15.079 -0.000) 15.079 11.439 ( 0.000 -14.982 0.000) 14.982 11.728 ( -0.000 2.260 0.000) 2.260 11.746 ( 0.000 -5.930 -0.000) 5.930 11.810 ( 0.000 -9.925 0.000) 9.925 11.845 ( -0.000 -7.614 -0.000) 7.614 12.179 ( 0.000 0.461 0.000) 0.461 12.196 ( 0.000 -0.203 -0.000) 0.203 12.317 ( 0.000 -5.491 0.000) 5.491 12.356 ( 0.000 -5.658 0.000) 5.658 12.814 ( 0.000 3.023 0.000) 3.023 12.875 ( 0.000 -3.138 0.000) 3.138 12.937 ( -0.000 -2.326 -0.000) 2.326 12.943 ( 0.000 -2.872 0.000) 2.872 13.008 ( 0.000 -2.943 0.000) 2.943 13.017 ( -0.000 -5.865 -0.000) 5.865 13.130 ( 0.000 -2.254 -0.000) 2.254 13.189 ( 0.000 -8.352 0.000) 8.352 13.462 ( 0.000 2.668 0.000) 2.668 13.647 ( 0.000 -14.012 -0.000) 14.012 13.647 ( -0.000 6.773 0.000) 6.773 13.850 ( 0.000 -12.785 -0.000) 12.785 14.207 ( 0.000 -1.375 -0.000) 1.375 14.218 ( -0.000 -1.596 0.000) 1.596 14.248 ( 0.000 -0.643 -0.000) 0.643 14.267 ( 0.000 -2.966 0.000) 2.966 17.505 ( -0.000 15.265 0.000) 15.265 17.726 ( -0.000 -7.413 0.000) 7.413 17.750 ( 0.000 12.824 -0.000) 12.824 17.940 ( -0.000 -6.655 0.000) 6.655 20.276 ( 0.000 28.491 0.000) 28.491 20.297 ( 0.000 26.474 -0.000) 26.474 20.505 ( 0.000 7.313 -0.000) 7.313 20.560 ( 0.000 7.497 0.000) 7.497 20.838 ( 0.000 -8.670 -0.000) 8.670 20.879 ( -0.000 -20.558 0.000) 20.558 20.898 ( 0.000 -9.856 -0.000) 9.856 20.951 ( 0.000 -19.064 -0.000) 19.064 22.553 ( 0.000 8.094 0.000) 8.094 22.647 ( 0.000 7.889 -0.000) 7.889 22.697 ( 0.000 -6.161 0.000) 6.161 22.793 ( 0.000 -6.647 0.000) 6.647 27.614 ( 0.000 3.214 -0.000) 3.214 27.634 ( -0.000 1.239 0.000) 1.239 27.770 ( 0.000 6.814 -0.000) 6.814 27.866 ( 0.000 -2.628 0.000) 2.628 28.507 ( 0.000 3.221 0.000) 3.221 28.530 ( -0.000 2.372 -0.000) 2.372 28.539 ( 0.000 0.064 0.000) 0.064 28.559 ( 0.000 -0.247 -0.000) 0.247 29.133 ( 0.000 1.757 -0.000) 1.757 29.158 ( 0.000 -1.252 -0.000) 1.252 29.183 ( 0.000 -0.548 0.000) 0.548 29.203 ( 0.000 -2.493 -0.000) 2.493 29.500 ( 0.000 7.006 -0.000) 7.006 29.544 ( 0.000 3.083 0.000) 3.083 29.624 ( 0.000 3.383 0.000) 3.383 29.627 ( 0.000 2.394 -0.000) 2.394 30.055 ( 0.000 3.317 -0.000) 3.317 30.099 ( 0.000 -1.766 0.000) 1.766 30.200 ( 0.000 3.066 0.000) 3.066 30.255 ( 0.000 -1.935 -0.000) 1.935 30.346 ( -0.000 -0.605 0.000) 0.605 30.372 ( 0.000 1.941 -0.000) 1.941 30.416 ( 0.000 -7.869 -0.000) 7.869 30.477 ( 0.000 -6.823 0.000) 6.823 30.681 ( 0.000 -0.411 0.000) 0.411 30.735 ( 0.000 -5.355 0.000) 5.355 30.737 ( 0.000 2.904 -0.000) 2.904 30.812 ( 0.000 -4.694 -0.000) 4.694 31.815 ( 0.000 1.152 -0.000) 1.152 31.858 ( 0.000 1.917 0.000) 1.917 31.863 ( 0.000 -3.786 0.000) 3.786 31.970 ( 0.000 -9.643 0.000) 9.643 ======================= Grid point 55 (19/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 10.251 0.000 28.309) 30.108 0.527 ( -0.692 0.000 28.380) 28.389 0.970 ( -2.123 0.000 52.018) 52.061 1.407 ( 1.878 0.000 -18.163) 18.260 1.461 ( -5.649 0.000 -21.790) 22.511 1.540 ( -3.382 0.000 2.794) 4.387 1.713 ( 4.301 0.000 -0.545) 4.335 1.870 ( 6.403 0.000 3.644) 7.367 1.883 ( -1.357 0.000 2.498) 2.843 1.918 ( 3.978 0.000 2.821) 4.876 1.975 ( 1.497 0.000 -0.125) 1.502 2.033 ( -1.624 0.000 4.560) 4.841 2.101 ( -11.484 0.000 3.557) 12.022 2.141 ( 0.244 0.000 3.519) 3.527 2.260 ( 0.017 0.000 2.415) 2.415 2.361 ( 2.709 0.000 -8.300) 8.731 2.480 ( 2.957 0.000 -7.043) 7.638 2.540 ( -13.728 0.000 -6.266) 15.090 2.734 ( 4.350 0.000 -3.479) 5.570 2.740 ( 11.132 0.000 1.887) 11.290 2.762 ( -0.320 0.000 -16.884) 16.887 2.803 ( -3.010 0.000 1.848) 3.532 2.905 ( -2.901 0.000 2.462) 3.805 2.971 ( 4.650 0.000 0.652) 4.696 3.032 ( 5.701 0.000 -2.648) 6.286 3.046 ( -2.230 0.000 -1.461) 2.666 3.105 ( 0.205 0.000 -2.772) 2.780 3.139 ( 0.927 0.000 -2.366) 2.541 3.233 ( -4.960 0.000 0.648) 5.002 3.298 ( -4.693 0.000 -1.593) 4.956 3.388 ( 4.078 0.000 -3.774) 5.557 3.437 ( 7.236 0.000 -0.214) 7.240 3.538 ( -0.743 0.000 -1.205) 1.416 3.571 ( -6.127 0.000 -4.227) 7.444 3.689 ( -3.751 0.000 9.258) 9.989 3.888 ( -6.326 0.000 7.907) 10.126 3.998 ( 20.292 0.000 3.489) 20.590 4.198 ( -8.082 0.000 -5.013) 9.510 4.372 ( -5.233 0.000 9.794) 11.104 4.378 ( 4.784 0.000 7.029) 8.502 4.445 ( -3.320 0.000 1.732) 3.745 4.707 ( -1.300 0.000 -7.519) 7.630 4.833 ( -14.297 0.000 1.021) 14.334 5.140 ( 27.966 0.000 -7.894) 29.059 5.259 ( 9.389 0.000 0.724) 9.417 5.301 ( -12.035 0.000 -1.200) 12.095 5.386 ( 5.954 0.000 1.647) 6.178 5.467 ( -6.637 0.000 -2.296) 7.023 5.748 ( -3.701 0.000 4.505) 5.830 5.916 ( 12.479 0.000 0.619) 12.494 5.957 ( -4.493 0.000 -3.234) 5.535 5.962 ( 7.253 0.000 -0.079) 7.253 6.312 ( 0.596 0.000 2.862) 2.923 6.367 ( -5.702 0.000 3.992) 6.961 6.482 ( -2.155 0.000 -0.779) 2.292 6.661 ( 5.347 0.000 -5.372) 7.580 6.750 ( -4.582 0.000 2.609) 5.273 6.869 ( 7.343 0.000 -2.466) 7.746 6.985 ( -3.460 0.000 4.060) 5.334 7.176 ( 2.226 0.000 -4.689) 5.190 7.360 ( 2.019 0.000 2.311) 3.069 7.410 ( -1.899 0.000 0.130) 1.903 7.837 ( -0.397 0.000 3.912) 3.932 8.034 ( 1.303 0.000 -5.081) 5.245 8.104 ( -2.002 0.000 3.203) 3.777 8.297 ( 3.220 0.000 -4.924) 5.883 8.380 ( -5.755 0.000 3.632) 6.806 8.465 ( -0.648 0.000 1.615) 1.740 8.611 ( 1.490 0.000 -1.796) 2.334 8.750 ( 4.895 0.000 -6.646) 8.254 8.878 ( -0.426 0.000 5.940) 5.955 9.000 ( -4.753 0.000 0.462) 4.775 9.279 ( -2.559 0.000 1.055) 2.767 9.375 ( 3.247 0.000 -2.975) 4.404 9.423 ( -1.219 0.000 2.719) 2.980 9.534 ( 3.633 0.000 -1.994) 4.144 10.166 ( 0.668 0.000 0.340) 0.750 10.213 ( -1.397 0.000 -1.744) 2.235 10.390 ( -0.040 0.000 1.854) 1.854 10.475 ( -0.130 0.000 -1.883) 1.888 10.988 ( -0.425 0.000 1.921) 1.968 11.049 ( -2.795 0.000 0.324) 2.814 11.111 ( -3.937 0.000 -1.430) 4.188 11.229 ( 7.203 0.000 -5.094) 8.822 11.289 ( 6.744 0.000 5.938) 8.985 11.413 ( -7.239 0.000 0.083) 7.239 12.213 ( -1.609 0.000 3.268) 3.643 12.428 ( -1.687 0.000 -6.910) 7.113 12.511 ( 3.680 0.000 2.320) 4.351 12.587 ( -19.322 0.000 -0.322) 19.325 12.908 ( 1.753 0.000 0.607) 1.855 12.928 ( -0.620 0.000 -0.339) 0.707 13.157 ( -4.650 0.000 1.215) 4.806 13.237 ( 7.790 0.000 -2.636) 8.224 13.517 ( -4.233 0.000 1.432) 4.469 13.589 ( -1.377 0.000 -2.088) 2.501 13.656 ( -3.880 0.000 1.990) 4.361 13.669 ( 9.447 0.000 1.411) 9.552 14.190 ( 1.843 0.000 0.248) 1.860 14.237 ( -1.774 0.000 -1.901) 2.601 14.393 ( 1.395 0.000 0.561) 1.503 14.420 ( -14.102 0.000 -0.531) 14.112 14.741 ( 1.523 0.000 1.247) 1.968 14.801 ( 0.218 0.000 -1.400) 1.417 15.174 ( -0.145 0.000 1.092) 1.102 15.210 ( 0.354 0.000 -0.479) 0.596 15.341 ( 1.134 0.000 -0.025) 1.135 15.344 ( -9.521 0.000 -0.197) 9.523 15.623 ( -1.074 0.000 1.561) 1.895 15.703 ( 1.453 0.000 -2.039) 2.503 17.084 ( 5.651 0.000 0.792) 5.707 17.093 ( -2.500 0.000 0.257) 2.513 18.184 ( -0.777 0.000 3.066) 3.163 18.308 ( 0.611 0.000 -2.381) 2.458 20.517 ( -1.081 0.000 1.437) 1.798 20.598 ( 5.617 0.000 -2.168) 6.021 21.438 ( -0.669 0.000 -0.076) 0.673 21.450 ( 0.775 0.000 -0.697) 1.042 21.853 ( 0.187 0.000 2.724) 2.731 21.957 ( -1.175 0.000 -1.993) 2.314 22.004 ( -6.399 0.000 1.111) 6.495 22.035 ( 3.465 0.000 -0.280) 3.476 22.393 ( -3.535 0.000 0.143) 3.538 22.399 ( 0.030 0.000 -0.148) 0.151 27.100 ( 0.938 0.000 2.423) 2.598 27.204 ( -1.667 0.000 -2.004) 2.607 27.335 ( -6.331 0.000 0.083) 6.332 27.342 ( 1.521 0.000 -0.247) 1.541 27.433 ( -0.444 0.000 0.265) 0.517 27.461 ( 0.225 0.000 -1.279) 1.299 27.566 ( 2.043 0.000 1.352) 2.450 27.605 ( -2.031 0.000 -0.618) 2.122 28.705 ( -0.412 0.000 0.066) 0.418 28.707 ( 5.695 0.000 0.123) 5.696 28.722 ( -0.359 0.000 0.632) 0.726 28.762 ( 2.344 0.000 -1.029) 2.560 29.347 ( -0.585 0.000 2.319) 2.391 29.427 ( -0.745 0.000 -1.135) 1.358 29.637 ( -2.569 0.000 3.856) 4.633 29.759 ( 0.441 0.000 0.186) 0.478 29.800 ( -5.890 0.000 -2.542) 6.415 29.860 ( -0.429 0.000 1.033) 1.118 29.868 ( 2.300 0.000 -4.720) 5.250 29.922 ( 9.165 0.000 -2.996) 9.642 30.859 ( -4.735 0.000 1.356) 4.925 30.884 ( 1.211 0.000 -0.206) 1.228 30.957 ( 1.401 0.000 1.182) 1.833 31.043 ( 1.226 0.000 -2.970) 3.213 31.069 ( -28.102 0.000 3.738) 28.350 31.254 ( 3.807 0.000 -3.638) 5.266 31.466 ( 7.676 0.000 8.968) 11.804 31.726 ( -8.995 0.000 -3.489) 9.648 32.188 ( 5.432 0.000 1.445) 5.621 32.282 ( -3.384 0.000 -2.544) 4.233 33.887 ( 23.878 0.000 1.847) 23.949 33.965 ( -2.777 0.000 -1.573) 3.192 ======================= Grid point 56 (20/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 10.996 0.000 25.216) 27.509 0.799 ( 19.692 0.000 18.641) 27.115 1.345 ( -4.834 0.000 -10.176) 11.266 1.434 ( -3.081 0.000 -10.602) 11.041 1.446 ( 16.639 0.000 10.440) 19.643 1.480 ( 16.686 0.000 6.677) 17.973 1.654 ( -7.445 0.000 7.675) 10.692 1.831 ( -4.713 0.000 -2.460) 5.317 1.935 ( -7.675 0.000 -1.793) 7.882 1.948 ( 1.810 0.000 3.721) 4.137 2.001 ( 4.712 0.000 0.354) 4.725 2.017 ( 3.737 0.000 -0.252) 3.746 2.070 ( 5.432 0.000 0.104) 5.433 2.233 ( 0.055 0.000 4.299) 4.300 2.234 ( 4.970 0.000 -2.066) 5.383 2.322 ( -6.654 0.000 5.579) 8.683 2.366 ( -1.699 0.000 -5.312) 5.577 2.466 ( -4.021 0.000 -5.773) 7.036 2.683 ( -7.931 0.000 1.142) 8.013 2.703 ( -3.742 0.000 -6.637) 7.619 2.799 ( -3.157 0.000 -0.742) 3.243 2.822 ( -5.413 0.000 -2.697) 6.048 2.954 ( -4.488 0.000 1.503) 4.733 2.980 ( 4.665 0.000 0.648) 4.710 3.058 ( 2.406 0.000 -2.492) 3.465 3.105 ( -3.965 0.000 3.925) 5.579 3.122 ( 0.257 0.000 -4.766) 4.773 3.139 ( 6.774 0.000 -11.022) 12.938 3.194 ( -2.281 0.000 -1.311) 2.631 3.236 ( 7.608 0.000 -1.326) 7.723 3.394 ( -9.042 0.000 3.015) 9.532 3.431 ( 0.114 0.000 -7.764) 7.765 3.493 ( -2.019 0.000 -5.093) 5.478 3.533 ( 2.550 0.000 -0.963) 2.725 3.734 ( 4.146 0.000 1.228) 4.324 3.792 ( -4.266 0.000 5.969) 7.337 4.198 ( 5.949 0.000 -7.517) 9.586 4.225 ( -7.200 0.000 -0.456) 7.214 4.403 ( 11.089 0.000 8.617) 14.044 4.418 ( 1.774 0.000 3.951) 4.331 4.566 ( -2.949 0.000 -2.089) 3.615 4.625 ( 14.664 0.000 7.941) 16.676 4.716 ( 1.981 0.000 -6.230) 6.537 4.945 ( -11.853 0.000 -6.410) 13.475 5.145 ( -9.875 0.000 0.663) 9.897 5.369 ( -0.703 0.000 12.396) 12.415 5.521 ( -0.314 0.000 4.308) 4.320 5.638 ( -0.667 0.000 0.843) 1.075 5.703 ( 3.120 0.000 -3.004) 4.331 5.969 ( 9.867 0.000 -7.121) 12.168 6.067 ( 0.518 0.000 7.118) 7.137 6.138 ( 5.901 0.000 -14.716) 15.855 6.320 ( -0.695 0.000 2.914) 2.995 6.327 ( 3.346 0.000 -1.915) 3.855 6.455 ( -0.004 0.000 -2.113) 2.113 6.643 ( -13.825 0.000 9.591) 16.826 6.743 ( 5.015 0.000 -4.662) 6.847 6.775 ( -0.230 0.000 4.852) 4.858 6.927 ( -3.254 0.000 3.835) 5.030 7.173 ( -2.177 0.000 -3.356) 4.000 7.284 ( -7.122 0.000 2.683) 7.611 7.323 ( -5.640 0.000 -0.808) 5.698 7.884 ( 2.780 0.000 4.468) 5.263 8.043 ( 0.512 0.000 -3.571) 3.607 8.095 ( 1.866 0.000 0.734) 2.005 8.310 ( -2.646 0.000 -0.216) 2.655 8.311 ( -0.713 0.000 -1.856) 1.988 8.361 ( -5.649 0.000 -0.492) 5.670 8.658 ( 1.011 0.000 0.708) 1.234 8.792 ( 0.719 0.000 -0.481) 0.865 8.815 ( -4.778 0.000 5.007) 6.920 8.908 ( -1.703 0.000 -3.961) 4.312 9.299 ( 3.656 0.000 -1.343) 3.895 9.385 ( -3.132 0.000 1.303) 3.393 9.424 ( 1.278 0.000 2.124) 2.479 9.599 ( 3.240 0.000 -2.730) 4.237 10.144 ( -1.685 0.000 -1.607) 2.329 10.144 ( -2.196 0.000 0.662) 2.293 10.413 ( 1.382 0.000 1.961) 2.399 10.495 ( 1.496 0.000 -1.784) 2.328 10.985 ( -3.237 0.000 0.667) 3.305 11.011 ( 1.393 0.000 1.227) 1.857 11.133 ( 3.541 0.000 -1.449) 3.826 11.269 ( -3.657 0.000 0.664) 3.717 11.373 ( 0.236 0.000 5.612) 5.616 11.403 ( 7.044 0.000 -6.293) 9.445 12.152 ( -3.745 0.000 3.933) 5.431 12.367 ( 1.884 0.000 -7.611) 7.841 12.532 ( -1.687 0.000 4.474) 4.781 12.533 ( 4.320 0.000 -2.695) 5.091 12.953 ( 2.799 0.000 -0.208) 2.807 13.036 ( 3.977 0.000 -4.190) 5.776 13.161 ( 2.207 0.000 -1.289) 2.556 13.253 ( -6.884 0.000 4.148) 8.037 13.539 ( -1.521 0.000 -0.647) 1.653 13.579 ( 6.805 0.000 -5.212) 8.572 13.654 ( 5.408 0.000 1.278) 5.556 13.738 ( -0.503 0.000 5.838) 5.860 14.202 ( -0.816 0.000 1.988) 2.149 14.244 ( 0.237 0.000 -1.370) 1.391 14.416 ( 0.007 0.000 3.310) 3.310 14.497 ( 11.988 0.000 -10.789) 16.128 14.776 ( 2.813 0.000 -4.712) 5.488 14.781 ( -1.613 0.000 -1.097) 1.951 15.163 ( -0.390 0.000 1.316) 1.373 15.223 ( 1.075 0.000 -0.409) 1.150 15.234 ( -1.950 0.000 3.022) 3.596 15.312 ( -3.591 0.000 0.402) 3.613 15.653 ( 2.953 0.000 1.573) 3.345 15.744 ( 1.846 0.000 -0.331) 1.876 17.148 ( 7.397 0.000 -1.313) 7.512 17.238 ( 5.049 0.000 -0.200) 5.053 18.155 ( -1.621 0.000 0.995) 1.902 18.235 ( -6.527 0.000 -1.176) 6.632 20.552 ( 3.764 0.000 0.352) 3.781 20.662 ( -0.107 0.000 -1.044) 1.050 21.420 ( -0.823 0.000 -0.982) 1.281 21.449 ( -0.377 0.000 -1.897) 1.934 21.743 ( -4.886 0.000 2.711) 5.588 21.851 ( -6.065 0.000 -0.828) 6.121 21.959 ( 0.778 0.000 4.729) 4.793 22.125 ( 2.815 0.000 -0.036) 2.815 22.291 ( -3.034 0.000 5.270) 6.082 22.382 ( -1.406 0.000 -0.614) 1.534 27.081 ( -2.941 0.000 3.283) 4.408 27.137 ( -3.137 0.000 -1.616) 3.529 27.216 ( -1.286 0.000 5.718) 5.861 27.373 ( 0.891 0.000 0.119) 0.899 27.424 ( -0.407 0.000 -0.133) 0.428 27.464 ( 0.168 0.000 -0.758) 0.777 27.488 ( -2.702 0.000 2.849) 3.927 27.594 ( -0.039 0.000 -0.605) 0.606 28.702 ( 0.122 0.000 -0.060) 0.136 28.716 ( 0.076 0.000 -0.201) 0.215 28.813 ( 1.456 0.000 2.212) 2.648 28.999 ( 8.716 0.000 -14.926) 17.285 29.364 ( 2.181 0.000 2.580) 3.379 29.448 ( 2.558 0.000 -1.866) 3.167 29.574 ( -3.651 0.000 1.620) 3.994 29.622 ( -6.190 0.000 4.866) 7.873 29.706 ( -2.876 0.000 -0.935) 3.024 29.907 ( 2.842 0.000 2.855) 4.029 29.966 ( 5.811 0.000 -6.607) 8.799 30.104 ( 0.976 0.000 -17.629) 17.656 30.752 ( 2.029 0.000 0.700) 2.147 30.878 ( 0.680 0.000 2.232) 2.333 30.997 ( -2.265 0.000 -1.537) 2.737 31.034 ( 3.539 0.000 0.104) 3.541 31.062 ( 4.616 0.000 0.392) 4.632 31.332 ( 3.056 0.000 2.286) 3.816 31.649 ( 2.974 0.000 -4.370) 5.286 31.694 ( 13.320 0.000 17.014) 21.608 32.228 ( -1.910 0.000 -6.945) 7.203 32.360 ( 9.701 0.000 1.705) 9.850 33.619 ( -29.409 0.000 18.775) 34.891 33.779 ( -11.957 0.000 -7.747) 14.248 ======================= Grid point 57 (21/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 20.249 0.000 13.168) 24.154 1.109 ( -16.983 0.000 8.012) 18.778 1.208 ( 17.408 0.000 11.650) 20.947 1.219 ( -22.846 0.000 8.770) 24.471 1.550 ( 13.202 0.000 -16.066) 20.795 1.557 ( 3.604 0.000 -11.051) 11.623 1.663 ( -9.910 0.000 -7.293) 12.305 1.752 ( -7.159 0.000 -9.903) 12.220 1.937 ( -25.373 0.000 3.566) 25.622 1.989 ( 2.758 0.000 5.812) 6.433 2.065 ( 0.794 0.000 0.748) 1.091 2.124 ( -1.027 0.000 -1.881) 2.143 2.137 ( 2.731 0.000 11.228) 11.555 2.253 ( -3.145 0.000 9.364) 9.878 2.270 ( 25.179 0.000 8.390) 26.540 2.278 ( -1.213 0.000 -1.934) 2.283 2.344 ( 4.233 0.000 9.169) 10.099 2.451 ( 4.384 0.000 -3.635) 5.695 2.538 ( -3.831 0.000 3.710) 5.333 2.671 ( 4.293 0.000 2.885) 5.172 2.720 ( -0.681 0.000 -0.666) 0.953 2.784 ( 1.543 0.000 -6.573) 6.751 2.879 ( -3.841 0.000 -2.450) 4.555 2.949 ( -3.520 0.000 4.353) 5.598 3.051 ( -1.030 0.000 0.052) 1.031 3.099 ( 0.333 0.000 -0.271) 0.430 3.142 ( 2.352 0.000 1.214) 2.647 3.168 ( -1.665 0.000 -3.103) 3.521 3.246 ( 4.401 0.000 -9.280) 10.271 3.267 ( -2.679 0.000 -0.643) 2.755 3.287 ( -10.737 0.000 -14.643) 18.158 3.398 ( 0.743 0.000 -1.412) 1.596 3.480 ( 4.119 0.000 -4.069) 5.790 3.555 ( -0.373 0.000 -0.989) 1.057 3.732 ( -1.890 0.000 1.839) 2.637 3.805 ( 2.394 0.000 -2.416) 3.401 4.118 ( -1.586 0.000 -2.191) 2.705 4.274 ( 3.067 0.000 -5.423) 6.230 4.480 ( 2.282 0.000 -0.969) 2.479 4.497 ( 1.014 0.000 -1.107) 1.501 4.636 ( 4.460 0.000 1.824) 4.819 4.642 ( -11.205 0.000 -3.917) 11.870 4.784 ( 3.313 0.000 5.155) 6.128 4.949 ( -9.626 0.000 -1.636) 9.764 5.069 ( 18.818 0.000 9.421) 21.044 5.260 ( -9.069 0.000 4.370) 10.067 5.479 ( -0.746 0.000 7.531) 7.568 5.609 ( 0.279 0.000 1.578) 1.603 5.785 ( 2.892 0.000 -3.249) 4.350 5.993 ( -8.197 0.000 6.287) 10.331 6.065 ( -4.973 0.000 -7.264) 8.803 6.199 ( 3.235 0.000 -7.815) 8.458 6.316 ( 2.304 0.000 1.059) 2.536 6.403 ( 2.699 0.000 -2.743) 3.848 6.443 ( -5.331 0.000 7.560) 9.251 6.510 ( 4.855 0.000 1.707) 5.146 6.706 ( -7.827 0.000 0.139) 7.828 6.909 ( 2.314 0.000 6.426) 6.830 6.924 ( 10.213 0.000 -8.070) 13.017 7.080 ( -6.035 0.000 -1.615) 6.247 7.203 ( -0.259 0.000 1.702) 1.721 7.245 ( 0.320 0.000 -0.476) 0.573 7.901 ( -1.227 0.000 4.173) 4.350 8.048 ( -0.631 0.000 -0.172) 0.654 8.165 ( 2.361 0.000 2.784) 3.650 8.211 ( -3.150 0.000 -2.137) 3.807 8.311 ( 1.812 0.000 -2.547) 3.126 8.316 ( 0.055 0.000 -1.030) 1.032 8.670 ( 0.340 0.000 2.066) 2.094 8.756 ( -0.679 0.000 3.402) 3.469 8.832 ( 1.263 0.000 -5.038) 5.193 8.891 ( 1.435 0.000 -3.047) 3.368 9.293 ( -4.025 0.000 2.814) 4.911 9.374 ( 2.998 0.000 -1.404) 3.311 9.451 ( 0.034 0.000 3.623) 3.623 9.624 ( -1.333 0.000 -4.126) 4.336 10.106 ( -1.067 0.000 0.205) 1.086 10.148 ( 1.504 0.000 -1.855) 2.388 10.430 ( -0.169 0.000 1.869) 1.877 10.514 ( 0.449 0.000 -1.886) 1.938 10.951 ( 0.721 0.000 3.357) 3.434 11.018 ( -0.348 0.000 0.259) 0.434 11.189 ( 1.130 0.000 -0.899) 1.444 11.225 ( -2.073 0.000 -1.648) 2.648 11.348 ( -2.767 0.000 3.763) 4.671 11.508 ( 3.909 0.000 -4.318) 5.825 12.112 ( -0.126 0.000 4.897) 4.898 12.397 ( 1.862 0.000 -8.963) 9.154 12.483 ( -3.069 0.000 3.500) 4.655 12.618 ( 3.988 0.000 -1.923) 4.428 13.004 ( 0.717 0.000 0.546) 0.902 13.038 ( -2.101 0.000 -1.084) 2.364 13.140 ( -2.850 0.000 2.050) 3.511 13.213 ( 4.133 0.000 -0.968) 4.244 13.549 ( 1.386 0.000 -1.578) 2.100 13.593 ( -0.989 0.000 -3.101) 3.254 13.705 ( -3.783 0.000 4.953) 6.233 13.819 ( 4.956 0.000 -0.348) 4.968 14.172 ( -2.164 0.000 2.862) 3.588 14.246 ( 0.307 0.000 -0.595) 0.670 14.392 ( -2.127 0.000 2.976) 3.658 14.634 ( 3.576 0.000 -2.524) 4.376 14.759 ( -0.013 0.000 -0.821) 0.821 14.830 ( 1.905 0.000 -11.288) 11.447 15.182 ( 0.580 0.000 0.779) 0.971 15.241 ( -2.633 0.000 -0.622) 2.706 15.242 ( 3.852 0.000 0.010) 3.852 15.253 ( 1.833 0.000 -0.779) 1.991 15.693 ( 0.225 0.000 2.161) 2.172 15.773 ( 0.916 0.000 0.430) 1.012 17.269 ( -1.641 0.000 1.173) 2.018 17.283 ( 2.646 0.000 0.023) 2.646 18.132 ( -0.307 0.000 -0.270) 0.409 18.135 ( -0.651 0.000 -0.185) 0.676 20.614 ( 0.959 0.000 0.773) 1.231 20.632 ( -2.309 0.000 0.245) 2.322 21.416 ( 0.899 0.000 -1.463) 1.717 21.436 ( -0.484 0.000 -4.371) 4.398 21.734 ( 2.340 0.000 1.132) 2.599 21.767 ( -1.091 0.000 -0.624) 1.257 21.983 ( 1.014 0.000 6.859) 6.934 22.137 ( -1.331 0.000 -1.437) 1.959 22.269 ( -0.205 0.000 4.228) 4.233 22.366 ( 0.282 0.000 -1.023) 1.061 27.053 ( -0.068 0.000 1.751) 1.752 27.106 ( 0.584 0.000 -0.816) 1.003 27.240 ( 2.019 0.000 7.402) 7.673 27.378 ( -0.325 0.000 -0.269) 0.422 27.416 ( -0.392 0.000 -0.397) 0.558 27.461 ( -0.915 0.000 1.681) 1.914 27.464 ( -0.087 0.000 -1.050) 1.054 27.570 ( -1.489 0.000 -3.496) 3.800 28.708 ( 0.414 0.000 -0.042) 0.416 28.716 ( -0.074 0.000 -0.366) 0.373 28.799 ( -2.747 0.000 3.400) 4.371 29.058 ( 0.483 0.000 -10.028) 10.040 29.408 ( -0.157 0.000 1.844) 1.851 29.484 ( 0.111 0.000 -1.197) 1.203 29.544 ( 2.436 0.000 3.156) 3.987 29.568 ( 0.812 0.000 3.563) 3.655 29.684 ( 0.351 0.000 -1.331) 1.377 29.939 ( -0.425 0.000 3.733) 3.757 29.955 ( -4.619 0.000 -16.231) 16.876 30.117 ( 2.663 0.000 -5.372) 5.996 30.804 ( 2.532 0.000 -0.853) 2.672 30.875 ( -3.581 0.000 -0.368) 3.600 30.956 ( 2.456 0.000 0.004) 2.456 31.027 ( -0.757 0.000 -3.433) 3.515 31.216 ( 6.558 0.000 -0.457) 6.574 31.313 ( -4.425 0.000 -2.599) 5.132 31.779 ( 7.105 0.000 5.773) 9.155 32.034 ( 15.906 0.000 23.197) 28.127 32.177 ( -0.747 0.000 -12.101) 12.124 32.436 ( -5.354 0.000 -3.296) 6.287 33.101 ( -23.788 0.000 18.842) 30.346 33.660 ( 4.633 0.000 -7.683) 8.972 ======================= Grid point 58 (22/60) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -27.248 0.000 7.578) 28.283 0.749 ( -19.006 0.000 17.381) 25.755 1.289 ( -27.895 0.000 35.668) 45.281 1.463 ( 2.380 0.000 -7.705) 8.065 1.483 ( 8.368 0.000 5.136) 9.818 1.524 ( 8.292 0.000 -0.660) 8.318 1.596 ( -4.964 0.000 -14.298) 15.135 1.683 ( 6.629 0.000 -6.113) 9.017 1.818 ( 9.040 0.000 -4.456) 10.078 1.968 ( -4.795 0.000 4.592) 6.639 2.019 ( -5.538 0.000 -0.439) 5.556 2.067 ( -2.502 0.000 4.683) 5.309 2.152 ( -1.270 0.000 6.553) 6.675 2.207 ( 1.810 0.000 -0.550) 1.892 2.302 ( 3.335 0.000 0.856) 3.443 2.311 ( -8.734 0.000 -1.701) 8.898 2.490 ( -0.429 0.000 -7.836) 7.847 2.503 ( 8.979 0.000 6.732) 11.222 2.724 ( 1.673 0.000 -4.851) 5.132 2.790 ( 0.208 0.000 -5.866) 5.870 2.834 ( 9.061 0.000 3.334) 9.655 2.840 ( 4.381 0.000 0.056) 4.382 2.897 ( -8.566 0.000 -1.871) 8.768 2.927 ( 3.588 0.000 3.309) 4.881 2.955 ( -3.090 0.000 -9.436) 9.929 2.978 ( 1.263 0.000 4.594) 4.764 3.108 ( -0.676 0.000 -2.557) 2.645 3.146 ( 0.079 0.000 -11.000) 11.000 3.200 ( 4.335 0.000 0.590) 4.375 3.310 ( 2.062 0.000 -1.470) 2.532 3.333 ( -4.145 0.000 1.384) 4.370 3.345 ( 6.992 0.000 -3.898) 8.005 3.523 ( -1.750 0.000 -1.678) 2.424 3.634 ( 9.862 0.000 1.846) 10.033 3.704 ( -0.469 0.000 -5.598) 5.617 3.808 ( -2.603 0.000 -3.522) 4.379 4.031 ( -7.778 0.000 2.927) 8.311 4.341 ( 0.422 0.000 -2.256) 2.295 4.408 ( -7.756 0.000 0.309) 7.762 4.486 ( -4.645 0.000 5.748) 7.390 4.542 ( 5.545 0.000 0.690) 5.587 4.688 ( -11.035 0.000 -2.329) 11.278 4.722 ( 2.395 0.000 1.476) 2.814 4.840 ( 5.423 0.000 2.024) 5.789 5.166 ( 0.840 0.000 -4.594) 4.670 5.439 ( -6.859 0.000 7.941) 10.493 5.447 ( 11.089 0.000 11.413) 15.913 5.620 ( 0.111 0.000 1.135) 1.141 5.821 ( -6.430 0.000 3.684) 7.410 5.825 ( -13.667 0.000 -11.094) 17.603 5.841 ( 4.275 0.000 -2.542) 4.974 6.132 ( -8.518 0.000 -1.189) 8.601 6.313 ( -1.597 0.000 2.408) 2.890 6.433 ( -0.109 0.000 -0.054) 0.122 6.535 ( 8.937 0.000 -4.074) 9.822 6.544 ( -2.875 0.000 4.800) 5.595 6.654 ( 5.802 0.000 0.147) 5.804 6.885 ( -8.374 0.000 2.111) 8.636 6.974 ( 2.348 0.000 5.837) 6.292 7.101 ( 5.421 0.000 -6.091) 8.154 7.259 ( 5.003 0.000 2.049) 5.406 7.359 ( 7.045 0.000 -0.021) 7.045 7.867 ( -2.309 0.000 3.690) 4.353 8.018 ( -0.373 0.000 -2.721) 2.747 8.148 ( -2.763 0.000 4.566) 5.337 8.226 ( 3.651 0.000 -5.361) 6.486 8.372 ( 5.711 0.000 -1.801) 5.988 8.403 ( 4.584 0.000 0.879) 4.668 8.647 ( -2.650 0.000 2.328) 3.528 8.745 ( -5.367 0.000 -3.982) 6.683 8.816 ( 4.637 0.000 3.531) 5.828 8.978 ( 4.519 0.000 -0.952) 4.618 9.302 ( 4.108 0.000 -1.531) 4.384 9.366 ( -4.250 0.000 2.033) 4.711 9.442 ( -0.703 0.000 3.171) 3.248 9.546 ( -4.359 0.000 -3.744) 5.746 10.122 ( 2.542 0.000 -0.451) 2.581 10.183 ( 2.129 0.000 -0.963) 2.336 10.411 ( -1.636 0.000 1.864) 2.480 10.502 ( -1.370 0.000 -1.896) 2.340 11.012 ( -0.754 0.000 0.796) 1.096 11.020 ( 4.315 0.000 3.015) 5.264 11.168 ( -1.383 0.000 -3.789) 4.033 11.175 ( -1.259 0.000 0.838) 1.512 11.281 ( -4.325 0.000 1.277) 4.509 11.527 ( -2.610 0.000 -1.003) 2.796 12.171 ( 4.531 0.000 4.196) 6.175 12.419 ( 1.477 0.000 -8.055) 8.189 12.448 ( 0.344 0.000 0.503) 0.609 12.683 ( 2.603 0.000 -1.261) 2.893 12.969 ( -2.852 0.000 0.717) 2.941 12.988 ( -2.089 0.000 -4.215) 4.704 13.145 ( 1.996 0.000 -0.981) 2.224 13.326 ( 2.885 0.000 1.114) 3.093 13.513 ( -3.669 0.000 -0.645) 3.725 13.566 ( -1.217 0.000 -2.306) 2.608 13.638 ( -1.828 0.000 0.910) 2.042 13.793 ( -7.040 0.000 4.100) 8.147 14.152 ( 0.856 0.000 0.312) 0.911 14.252 ( 0.178 0.000 -0.489) 0.520 14.374 ( 0.280 0.000 0.018) 0.281 14.688 ( 2.083 0.000 -1.545) 2.594 14.772 ( -7.540 0.000 -11.941) 14.122 14.778 ( 1.680 0.000 -1.057) 1.985 15.176 ( -0.483 0.000 1.211) 1.304 15.210 ( -0.465 0.000 -0.869) 0.986 15.297 ( 2.549 0.000 -0.857) 2.689 15.370 ( 6.906 0.000 -2.447) 7.326 15.668 ( -2.597 0.000 2.153) 3.373 15.760 ( -3.010 0.000 -2.128) 3.687 17.171 ( -8.035 0.000 -4.761) 9.339 17.213 ( -7.569 0.000 1.824) 7.786 18.154 ( 2.230 0.000 2.114) 3.073 18.221 ( 6.883 0.000 -1.705) 7.091 20.576 ( -2.643 0.000 -0.799) 2.761 20.577 ( -3.920 0.000 1.944) 4.376 21.431 ( 0.673 0.000 -2.215) 2.315 21.439 ( 0.752 0.000 -0.226) 0.786 21.798 ( 3.392 0.000 1.111) 3.569 21.832 ( 7.366 0.000 -1.772) 7.577 22.027 ( 2.154 0.000 6.997) 7.321 22.084 ( -3.411 0.000 -2.167) 4.041 22.306 ( 4.422 0.000 5.579) 7.119 22.384 ( 1.250 0.000 -0.677) 1.421 27.072 ( 1.390 0.000 1.334) 1.927 27.160 ( 4.283 0.000 -0.560) 4.320 27.338 ( 7.211 0.000 9.937) 12.278 27.356 ( -1.731 0.000 -1.455) 2.261 27.412 ( 0.936 0.000 1.677) 1.921 27.449 ( -0.248 0.000 1.918) 1.934 27.460 ( -0.008 0.000 -1.730) 1.730 27.546 ( -0.242 0.000 -1.526) 1.545 28.713 ( -0.175 0.000 -0.547) 0.575 28.713 ( -0.109 0.000 0.342) 0.359 28.750 ( -1.396 0.000 0.402) 1.453 28.975 ( -9.689 0.000 -11.559) 15.083 29.373 ( -2.181 0.000 1.939) 2.919 29.458 ( -1.752 0.000 -0.095) 1.754 29.636 ( 3.283 0.000 4.743) 5.769 29.656 ( 7.212 0.000 2.739) 7.714 29.705 ( 2.319 0.000 -0.595) 2.394 29.851 ( -2.806 0.000 -12.239) 12.556 29.905 ( -2.806 0.000 2.408) 3.697 30.094 ( -5.607 0.000 -8.607) 10.272 30.830 ( 0.554 0.000 -1.021) 1.162 30.851 ( 1.782 0.000 3.104) 3.579 31.004 ( -0.492 0.000 -0.164) 0.518 31.020 ( 0.913 0.000 -4.998) 5.080 31.217 ( -1.857 0.000 -4.245) 4.633 31.324 ( 4.834 0.000 2.356) 5.377 31.869 ( -0.999 0.000 6.851) 6.923 31.886 ( -26.632 0.000 -27.558) 38.323 32.217 ( -9.868 0.000 -6.703) 11.929 32.371 ( -1.241 0.000 2.144) 2.478 32.989 ( 26.861 0.000 48.065) 55.061 33.864 ( 11.354 0.000 -1.736) 11.486 ======================= Grid point 59 (23/60) ======================= q-point: ( 0.00 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 13.383 16.438 19.907) 29.080 0.805 ( 1.548 18.993 21.164) 28.479 1.255 ( -8.098 22.002 27.136) 35.861 1.525 ( -5.132 11.995 -15.104) 19.959 1.570 ( -0.247 10.444 -11.729) 15.707 1.605 ( 0.911 7.892 1.645) 8.113 1.775 ( 4.123 -0.364 1.544) 4.418 1.849 ( 1.319 -2.134 -1.029) 2.712 1.873 ( 1.484 3.643 -2.943) 4.913 1.953 ( 0.234 2.829 0.083) 2.840 2.012 ( 1.874 7.540 0.250) 7.774 2.060 ( 0.971 2.934 3.483) 4.657 2.140 ( -7.857 3.985 4.330) 9.817 2.252 ( 0.363 0.881 -2.789) 2.947 2.346 ( 1.094 6.603 -0.646) 6.724 2.378 ( -2.242 6.527 1.216) 7.007 2.522 ( -3.851 3.199 -0.806) 5.071 2.604 ( -4.513 2.908 -4.561) 7.044 2.724 ( 3.166 -0.043 -1.930) 3.708 2.759 ( 5.895 0.334 -3.579) 6.904 2.806 ( -2.052 3.678 -2.744) 5.027 2.891 ( 0.047 4.183 -13.544) 14.175 2.984 ( 4.394 6.424 3.057) 8.362 2.999 ( -1.959 2.744 1.952) 3.896 3.126 ( 2.303 5.428 0.195) 5.899 3.190 ( -4.447 4.242 -3.399) 7.023 3.202 ( 3.579 6.477 -5.907) 9.469 3.310 ( -2.495 19.665 -0.296) 19.825 3.328 ( -1.024 6.252 -5.043) 8.098 3.398 ( 1.467 9.822 -2.121) 10.155 3.430 ( 5.386 -0.031 0.398) 5.401 3.517 ( -2.978 11.190 -0.192) 11.581 3.536 ( 0.210 6.749 -6.509) 9.379 3.651 ( 6.204 7.910 -2.954) 10.478 3.771 ( -8.019 10.625 -0.451) 13.319 3.926 ( -2.461 2.271 2.684) 4.291 4.002 ( 10.638 2.852 5.298) 12.222 4.221 ( -4.776 0.207 -1.608) 5.043 4.294 ( -0.945 -3.204 7.133) 7.877 4.415 ( 1.508 -1.534 -0.733) 2.272 4.441 ( -4.396 3.280 6.850) 8.775 4.693 ( -1.950 -2.012 -4.497) 5.298 4.784 ( -9.803 -3.890 -0.736) 10.572 4.941 ( 20.547 -13.696 2.970) 24.872 5.262 ( 4.606 -0.591 1.618) 4.918 5.303 ( -7.757 0.191 -0.811) 7.801 5.367 ( 5.341 -1.949 1.888) 5.991 5.443 ( -3.409 -2.107 -1.866) 4.421 5.700 ( -0.376 -4.186 4.091) 5.865 5.763 ( 0.617 -6.694 5.797) 8.876 5.937 ( 4.658 -2.756 -1.169) 5.537 5.974 ( -2.235 1.225 -3.133) 4.038 6.299 ( -0.125 -0.908 1.730) 1.958 6.339 ( -2.258 -1.123 2.667) 3.670 6.443 ( 0.281 -2.479 2.172) 3.307 6.532 ( 0.104 -0.606 -0.926) 1.112 6.709 ( -0.571 2.461 2.100) 3.285 6.892 ( 2.256 2.659 -2.905) 4.539 7.046 ( -2.192 5.576 5.094) 7.865 7.240 ( 2.711 2.254 -1.940) 4.024 7.386 ( -2.087 3.513 2.860) 4.988 7.479 ( 0.107 5.959 -3.527) 6.925 7.971 ( -0.736 9.763 4.245) 10.671 8.099 ( 0.277 2.337 0.072) 2.354 8.192 ( -1.162 7.394 0.963) 7.546 8.271 ( 0.402 -0.585 -2.819) 2.907 8.340 ( -0.766 -3.089 3.639) 4.835 8.485 ( 4.187 0.730 -4.260) 6.017 8.702 ( -4.674 3.829 2.351) 6.483 8.823 ( 2.863 8.265 -4.765) 9.960 8.842 ( -3.158 -5.343 2.751) 6.789 8.927 ( 3.093 -2.109 -0.005) 3.744 9.357 ( -3.550 4.799 1.298) 6.109 9.406 ( 1.860 3.400 -1.496) 4.154 9.483 ( -2.583 6.651 2.466) 7.550 9.566 ( 2.815 4.811 -0.911) 5.648 10.186 ( -1.207 -0.616 -0.599) 1.481 10.197 ( 1.924 2.731 -1.270) 3.574 10.390 ( -0.999 -0.227 1.842) 2.108 10.471 ( -0.403 -0.495 -1.295) 1.444 11.002 ( -5.345 -0.728 -0.159) 5.397 11.091 ( 4.029 0.924 -3.464) 5.393 11.178 ( -2.336 7.555 0.048) 7.908 11.231 ( 2.668 0.371 -1.808) 3.244 11.302 ( 6.407 2.325 6.116) 9.158 11.490 ( -5.338 5.927 -3.577) 8.742 12.198 ( -1.279 -1.135 2.201) 2.788 12.324 ( 1.775 -3.928 -3.262) 5.405 12.569 ( -5.770 2.069 1.729) 6.369 12.663 ( 1.127 1.532 -5.527) 5.845 12.957 ( 2.952 3.302 2.808) 5.244 13.026 ( 0.722 4.843 -0.044) 4.897 13.158 ( -3.070 -0.428 2.541) 4.008 13.326 ( 4.259 -2.624 -4.412) 6.670 13.402 ( -2.453 -11.243 -1.107) 11.561 13.437 ( 0.513 -9.432 -1.951) 9.645 13.529 ( -4.880 -9.955 3.388) 11.593 13.692 ( 3.625 1.778 -5.625) 6.924 14.266 ( -0.138 -4.319 -1.284) 4.508 14.302 ( 3.207 -5.109 -1.676) 6.260 14.334 ( -1.597 -1.163 1.057) 2.240 14.491 ( -3.987 1.972 -14.139) 14.822 14.659 ( 1.565 -7.617 1.475) 7.915 14.738 ( 0.999 -6.833 -1.788) 7.133 15.047 ( 0.065 -12.666 0.293) 12.669 15.087 ( 0.157 -13.125 -0.914) 13.158 15.199 ( -1.384 -13.818 1.453) 13.963 15.222 ( 0.078 -12.076 -0.264) 12.079 15.775 ( 0.762 13.033 1.353) 13.125 15.965 ( -4.700 27.147 -13.132) 30.520 17.147 ( -2.262 6.326 0.654) 6.750 17.163 ( 2.920 8.853 0.007) 9.322 18.323 ( -1.027 14.125 2.789) 14.434 18.452 ( 0.823 13.539 -3.398) 13.984 20.374 ( -0.766 -12.184 1.520) 12.303 20.441 ( 2.673 -13.362 -0.607) 13.640 21.342 ( -1.693 -7.891 0.381) 8.080 21.385 ( 2.572 -5.190 -2.590) 6.345 21.932 ( 2.196 -0.310 5.204) 5.657 22.019 ( -7.455 7.770 1.165) 10.830 22.050 ( -4.607 1.551 -1.070) 4.977 22.076 ( 6.116 7.758 -1.188) 9.950 22.411 ( -0.832 6.801 5.196) 8.599 22.500 ( -0.184 9.449 -0.680) 9.475 27.108 ( -0.768 2.600 1.343) 3.026 27.180 ( -0.873 1.008 0.089) 1.336 27.291 ( -0.227 0.953 3.711) 3.838 27.399 ( 0.643 5.658 -1.477) 5.883 27.566 ( 0.008 13.753 0.428) 13.760 27.607 ( -1.256 12.614 -2.223) 12.870 27.741 ( 3.083 16.675 4.870) 17.643 27.997 ( -3.579 16.099 -9.647) 19.106 28.731 ( -1.378 2.825 1.115) 3.335 28.795 ( 1.328 5.255 -1.253) 5.563 28.814 ( -0.374 7.339 0.893) 7.403 29.066 ( 7.552 21.203 -21.497) 31.124 29.363 ( 0.053 1.895 1.139) 2.212 29.445 ( -1.428 1.935 -1.631) 2.906 29.610 ( -2.027 -2.826 3.510) 4.941 29.753 ( -0.386 -0.155 1.070) 1.148 29.786 ( 3.279 -2.748 -3.340) 5.427 29.819 ( -7.194 -3.322 -2.090) 8.195 29.877 ( 1.033 1.782 -0.296) 2.081 29.989 ( 7.763 6.539 -8.839) 13.459 30.820 ( -6.166 -4.100 1.615) 7.579 30.850 ( 0.589 -3.439 -0.155) 3.493 30.900 ( -1.918 -5.160 4.825) 7.321 31.015 ( 1.342 -2.802 -2.804) 4.186 31.029 ( -15.125 -3.842 2.385) 15.787 31.193 ( 1.773 -6.179 -4.165) 7.660 31.411 ( 6.912 -5.584 8.008) 11.962 31.643 ( -7.688 -8.247 -3.126) 11.700 32.142 ( 4.297 -4.536 1.047) 6.335 32.214 ( -1.626 -6.452 -2.006) 6.949 33.104 ( 14.515 -44.777 42.946) 63.718 33.720 ( -2.289 -23.162 -4.989) 23.803 ======================= Grid point 60 (24/60) ======================= q-point: ( 0.25 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 3.964 15.084 19.197) 24.734 1.022 ( 14.170 16.974 14.308) 26.337 1.418 ( 6.082 4.986 -18.177) 19.805 1.501 ( -8.323 6.954 5.515) 12.167 1.519 ( 8.896 7.496 1.611) 11.744 1.681 ( 16.032 15.526 7.103) 23.421 1.710 ( -6.358 -2.881 -0.772) 7.023 1.759 ( -12.346 6.465 -0.147) 13.937 1.955 ( 5.223 2.568 -5.028) 7.691 1.999 ( 6.827 0.158 2.052) 7.131 2.044 ( 0.361 7.202 3.327) 7.941 2.098 ( -0.902 7.474 1.885) 7.761 2.147 ( 4.706 2.448 -6.022) 8.025 2.264 ( 1.825 2.886 0.181) 3.420 2.293 ( -2.716 1.524 0.823) 3.221 2.368 ( -4.650 6.275 3.514) 8.564 2.403 ( 1.697 5.504 2.113) 6.135 2.556 ( -2.853 5.972 -2.829) 7.197 2.667 ( -8.727 -1.397 4.000) 9.702 2.758 ( -1.443 -1.805 -1.638) 2.832 2.816 ( -2.828 2.947 0.237) 4.091 2.911 ( 0.430 12.154 -10.087) 15.801 2.967 ( -1.395 -0.785 -0.661) 1.732 3.052 ( -1.163 4.833 2.151) 5.416 3.126 ( 0.412 5.367 -0.206) 5.387 3.163 ( 3.237 7.009 -3.650) 8.540 3.241 ( -1.843 5.957 -6.501) 9.008 3.255 ( 1.036 4.506 -3.363) 5.718 3.291 ( 0.547 21.476 -1.335) 21.525 3.353 ( -6.013 1.110 1.488) 6.293 3.402 ( -0.386 9.945 -3.569) 10.573 3.495 ( -2.562 6.782 -7.552) 10.469 3.593 ( 2.891 10.846 -0.970) 11.267 3.669 ( -1.149 12.384 -1.336) 12.509 3.804 ( 5.984 7.794 -5.307) 11.168 3.828 ( -3.699 5.566 7.198) 9.822 4.108 ( -0.381 -3.371 0.743) 3.473 4.292 ( -0.254 1.218 -0.054) 1.245 4.345 ( 10.896 -3.540 2.468) 11.719 4.390 ( -0.986 -1.900 4.260) 4.767 4.541 ( -3.021 -2.473 -1.381) 4.142 4.578 ( 9.524 -2.946 2.406) 10.256 4.743 ( 2.976 1.096 -0.984) 3.321 4.942 ( -7.390 -1.599 -4.092) 8.597 5.105 ( -9.558 -2.842 -0.115) 9.972 5.306 ( -3.221 -5.007 9.130) 10.900 5.436 ( -3.446 -6.516 3.990) 8.381 5.651 ( 2.145 0.451 0.295) 2.212 5.685 ( 4.868 -2.314 -3.081) 6.209 5.846 ( 10.310 -14.891 -0.556) 18.120 5.981 ( 4.496 -0.081 -3.928) 5.971 6.055 ( 4.415 -6.747 -0.783) 8.101 6.314 ( -0.204 -0.457 2.820) 2.863 6.329 ( 2.287 -0.265 -1.212) 2.602 6.459 ( 1.192 -0.625 2.223) 2.598 6.502 ( -3.023 0.690 2.418) 3.932 6.736 ( 2.870 0.920 0.690) 3.092 6.854 ( -3.777 3.259 -1.176) 5.125 6.994 ( -3.886 4.230 2.449) 6.244 7.212 ( -4.435 2.644 -1.435) 5.359 7.326 ( -2.697 5.180 2.269) 6.265 7.447 ( -2.576 10.435 -2.184) 10.968 7.971 ( 0.182 5.274 2.387) 5.792 8.078 ( -1.739 2.157 0.519) 2.819 8.182 ( 0.764 8.803 1.220) 8.920 8.259 ( 0.254 -0.652 -0.367) 0.790 8.367 ( 1.449 1.648 0.430) 2.235 8.447 ( -7.196 5.932 -0.649) 9.348 8.651 ( 1.649 0.488 1.174) 2.082 8.779 ( -1.574 -5.252 -1.382) 5.654 8.850 ( -1.154 3.601 -0.968) 3.903 8.914 ( -4.910 5.130 2.023) 7.384 9.339 ( 2.926 1.173 -2.549) 4.054 9.391 ( -3.249 2.685 1.620) 4.516 9.480 ( 2.347 5.766 1.079) 6.318 9.642 ( 3.577 5.345 -1.244) 6.551 10.148 ( -1.310 0.333 -2.084) 2.484 10.172 ( -3.304 2.589 0.377) 4.215 10.408 ( 1.965 -0.675 1.768) 2.728 10.494 ( 2.257 -0.125 -1.421) 2.670 10.911 ( -1.465 -1.472 0.270) 2.094 11.102 ( -5.590 2.295 1.680) 6.272 11.174 ( 3.942 4.820 -1.387) 6.380 11.291 ( 0.618 3.849 0.035) 3.898 11.380 ( 0.398 0.161 4.195) 4.217 11.460 ( 4.058 5.264 -5.398) 8.562 12.161 ( -2.827 0.500 3.193) 4.294 12.334 ( 1.547 -2.510 -3.592) 4.647 12.548 ( 3.779 2.513 -3.388) 5.663 12.635 ( -3.951 4.313 0.377) 5.861 13.019 ( 3.221 3.236 -0.361) 4.580 13.070 ( 1.404 0.774 2.910) 3.322 13.153 ( 1.106 -0.818 -0.575) 1.491 13.297 ( -6.166 -2.978 -0.936) 6.911 13.382 ( -2.464 -6.092 -0.419) 6.585 13.472 ( -0.380 -12.931 -1.430) 13.016 13.517 ( 10.208 -8.839 -2.294) 13.697 13.672 ( -3.652 -5.504 2.299) 6.994 14.287 ( 1.826 -0.835 -1.401) 2.448 14.315 ( -0.785 -4.494 1.844) 4.921 14.344 ( -0.042 -1.161 0.838) 1.433 14.437 ( 1.367 -4.236 -7.795) 8.976 14.693 ( 0.281 -6.528 -1.331) 6.669 14.754 ( 1.097 -7.459 -3.906) 8.491 15.049 ( 0.163 -11.966 0.381) 11.974 15.112 ( 0.678 -12.783 -0.362) 12.806 15.137 ( -0.246 -9.814 1.162) 9.885 15.239 ( -1.147 -11.119 -0.664) 11.197 15.765 ( -1.355 13.384 2.531) 13.689 15.890 ( -0.105 21.158 -6.081) 22.015 17.214 ( 7.970 7.099 -0.561) 10.688 17.314 ( 7.331 7.862 -0.599) 10.766 18.267 ( -3.337 12.216 1.621) 12.767 18.365 ( -7.535 12.688 -1.591) 14.842 20.427 ( 5.076 -10.744 -0.472) 11.892 20.512 ( 2.077 -12.834 0.207) 13.002 21.329 ( 1.077 -8.335 -1.688) 8.572 21.400 ( -1.241 -3.727 -0.093) 3.929 21.790 ( -8.079 2.199 3.483) 9.068 21.898 ( -6.744 2.680 -0.735) 7.294 22.027 ( 1.731 7.066 3.092) 7.905 22.168 ( 2.363 4.514 -0.779) 5.154 22.389 ( -1.235 9.429 4.684) 10.600 22.487 ( -0.657 9.806 -1.071) 9.886 27.083 ( -1.184 2.815 1.674) 3.483 27.153 ( -1.984 2.087 -0.900) 3.017 27.254 ( -1.665 4.257 5.054) 6.815 27.429 ( 1.440 3.988 -2.219) 4.786 27.577 ( 1.047 14.287 0.591) 14.338 27.599 ( 0.655 13.726 -0.767) 13.763 27.762 ( -4.150 17.872 2.066) 18.464 27.770 ( -7.139 17.851 -1.772) 19.307 28.743 ( 1.517 3.970 -0.174) 4.253 28.791 ( -0.608 6.665 -0.038) 6.693 28.856 ( 2.085 4.304 1.466) 5.002 29.136 ( 0.064 11.190 -14.448) 18.275 29.367 ( 0.802 0.614 2.653) 2.838 29.446 ( 1.795 -0.243 -1.562) 2.392 29.559 ( -3.202 -1.507 1.933) 4.032 29.629 ( -5.237 0.370 4.988) 7.242 29.696 ( -2.967 -0.484 -1.134) 3.213 29.900 ( 4.364 -1.690 -2.567) 5.338 29.938 ( 3.951 -1.345 -2.203) 4.719 30.116 ( 0.224 1.438 -15.425) 15.494 30.718 ( 2.319 -3.379 0.604) 4.142 30.853 ( 0.890 -2.487 2.435) 3.593 30.946 ( -0.701 -4.694 -0.236) 4.752 31.007 ( 2.470 -2.779 -0.424) 3.742 31.036 ( 2.986 -3.017 -0.543) 4.280 31.276 ( 4.392 -5.515 2.432) 7.458 31.560 ( 2.901 -8.817 -1.484) 9.400 31.612 ( 10.115 -8.342 11.841) 17.667 32.166 ( -2.420 -5.720 -6.087) 8.696 32.280 ( 7.428 -7.526 0.772) 10.602 33.170 ( -10.312 -34.206 28.055) 45.426 33.570 ( -9.124 -19.963 -9.288) 23.834 ======================= Grid point 61 (25/60) ======================= q-point: (-0.50 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 13.379 3.362 9.533) 16.769 1.242 ( -15.659 9.658 9.288) 20.609 1.309 ( -15.717 8.495 5.816) 18.789 1.316 ( 6.524 9.936 5.374) 13.045 1.569 ( 7.325 2.502 -15.357) 17.197 1.625 ( 1.209 2.126 -8.039) 8.403 1.706 ( 6.093 9.336 -6.542) 12.926 1.873 ( -11.465 5.707 -1.003) 12.846 1.986 ( -6.027 5.356 -3.632) 8.843 2.027 ( -1.496 5.522 1.863) 6.016 2.090 ( -2.360 1.691 0.572) 2.959 2.132 ( 8.940 3.225 4.887) 10.687 2.231 ( 2.439 3.557 0.054) 4.313 2.271 ( -0.286 1.814 15.054) 15.166 2.360 ( 5.613 5.048 2.211) 7.866 2.369 ( 2.319 10.054 4.151) 11.122 2.448 ( 3.831 0.973 0.664) 4.008 2.466 ( -2.614 8.624 2.687) 9.404 2.588 ( 2.600 6.995 8.212) 11.097 2.728 ( -3.026 4.157 -1.402) 5.329 2.743 ( 3.664 -0.100 -2.055) 4.202 2.871 ( -3.412 2.234 -4.199) 5.853 2.933 ( 1.956 10.576 -3.483) 11.305 3.044 ( -4.668 4.602 0.838) 6.608 3.073 ( 2.197 3.072 3.481) 5.136 3.193 ( -1.461 0.890 -2.368) 2.921 3.257 ( -3.769 3.355 -3.576) 6.185 3.267 ( 1.180 12.639 -5.636) 13.889 3.290 ( 2.636 9.823 -5.472) 11.549 3.308 ( -4.488 8.756 -5.161) 11.110 3.377 ( 0.614 12.857 -7.754) 15.027 3.451 ( 3.135 6.196 -2.747) 7.467 3.596 ( -1.352 12.778 -0.293) 12.853 3.664 ( 0.163 10.297 -0.773) 10.327 3.748 ( -4.284 3.528 4.537) 7.169 3.913 ( 3.891 11.014 -4.290) 12.444 4.115 ( 0.989 1.320 0.647) 1.772 4.283 ( -0.739 0.763 -3.365) 3.529 4.380 ( -0.725 -6.482 0.094) 6.523 4.464 ( 3.441 -4.123 -2.775) 6.044 4.577 ( 0.415 -3.572 3.321) 4.895 4.682 ( -4.575 -0.738 -3.036) 5.540 4.732 ( 3.283 -2.727 4.360) 6.101 4.927 ( -9.662 -2.505 -2.044) 10.188 5.052 ( 16.034 -2.157 7.664) 17.902 5.181 ( -7.069 -6.287 1.927) 9.654 5.386 ( 0.069 -5.763 6.739) 8.867 5.621 ( -1.716 0.568 1.921) 2.637 5.740 ( 0.112 -4.288 -3.485) 5.527 5.941 ( -1.226 -4.886 3.386) 6.069 5.992 ( -5.984 -5.814 -5.219) 9.841 6.149 ( 3.165 -5.308 -5.314) 8.151 6.308 ( 1.510 -0.708 0.361) 1.706 6.394 ( -1.116 -0.588 0.965) 1.588 6.404 ( -0.805 -1.628 4.476) 4.830 6.519 ( 1.719 1.177 1.092) 2.352 6.709 ( -5.156 1.512 1.015) 5.469 6.893 ( 7.776 -1.365 -6.124) 9.991 6.978 ( 2.485 5.715 3.263) 7.034 7.098 ( -5.369 2.592 -2.354) 6.409 7.314 ( 1.751 8.387 3.420) 9.225 7.401 ( -0.906 13.644 -1.542) 13.761 7.977 ( 0.085 5.499 1.895) 5.817 8.050 ( -0.551 0.990 -0.280) 1.167 8.215 ( 1.055 4.701 3.574) 5.999 8.275 ( -1.337 5.146 -0.354) 5.329 8.332 ( 0.831 3.140 -1.368) 3.524 8.390 ( -0.795 5.305 0.358) 5.377 8.696 ( 1.689 1.117 1.136) 2.322 8.749 ( -0.710 -0.007 2.990) 3.073 8.812 ( -0.496 -0.805 -2.544) 2.714 8.875 ( 1.041 1.480 -1.589) 2.409 9.301 ( -3.076 2.295 2.384) 4.518 9.418 ( 3.069 1.905 -3.375) 4.943 9.536 ( 1.433 7.731 2.527) 8.259 9.658 ( -2.162 3.997 -3.036) 5.465 10.096 ( -1.891 -1.506 0.854) 2.564 10.169 ( 1.853 2.324 -2.784) 4.072 10.434 ( -0.026 0.242 2.404) 2.417 10.527 ( 0.677 1.067 -1.885) 2.269 10.932 ( 2.633 -0.885 2.821) 3.959 11.011 ( -1.835 -0.077 -0.691) 1.963 11.235 ( 1.344 5.507 -0.165) 5.671 11.269 ( -2.838 2.598 -1.070) 3.993 11.357 ( -2.507 3.308 3.758) 5.599 11.545 ( 3.901 2.903 -4.849) 6.867 12.128 ( -0.157 1.425 4.594) 4.812 12.385 ( 2.740 -1.549 -7.644) 8.267 12.513 ( -5.357 1.394 3.327) 6.458 12.644 ( 3.703 1.994 -2.017) 4.664 13.067 ( 0.040 4.994 1.353) 5.175 13.095 ( -0.306 -3.322 2.712) 4.300 13.141 ( -2.774 6.084 -1.824) 6.931 13.204 ( 2.629 -2.034 -2.292) 4.038 13.400 ( 2.505 -11.793 -0.679) 12.075 13.458 ( -0.674 -10.977 -2.229) 11.221 13.567 ( -5.022 -12.000 4.935) 13.913 13.703 ( 4.682 -9.727 -2.072) 10.993 14.250 ( -3.190 2.266 2.066) 4.425 14.323 ( -0.792 -5.450 2.055) 5.878 14.352 ( 1.517 4.925 -1.376) 5.333 14.479 ( 2.435 -14.835 -4.168) 15.600 14.688 ( 0.046 -6.055 -0.257) 6.060 14.759 ( -0.393 -8.121 -4.762) 9.423 15.056 ( 0.216 -12.394 1.064) 12.442 15.092 ( -0.598 -13.618 0.932) 13.663 15.177 ( -1.433 -10.095 -0.087) 10.197 15.210 ( 2.387 -8.546 -2.291) 9.164 15.750 ( -0.581 10.419 2.880) 10.826 15.918 ( 3.119 17.837 -4.828) 18.740 17.350 ( 1.653 7.258 0.685) 7.476 17.380 ( -0.510 9.848 -0.312) 9.867 18.226 ( -0.204 10.565 0.557) 10.581 18.258 ( -0.389 11.969 -0.872) 12.007 20.502 ( -1.514 -10.079 0.387) 10.200 20.514 ( 0.912 -9.616 -0.350) 9.665 21.335 ( -2.395 -5.604 0.148) 6.096 21.380 ( 1.469 -6.217 -1.503) 6.562 21.746 ( 2.345 0.656 1.534) 2.878 21.806 ( -0.641 2.121 -1.507) 2.680 22.057 ( 0.955 7.249 4.651) 8.665 22.182 ( -0.530 4.164 -2.131) 4.708 22.377 ( -0.452 9.674 4.295) 10.594 22.481 ( 0.305 10.231 -1.253) 10.312 27.081 ( 0.793 3.916 1.087) 4.141 27.127 ( 0.336 2.716 -0.866) 2.870 27.245 ( -0.566 2.968 6.237) 6.931 27.439 ( -0.090 4.186 -3.141) 5.234 27.607 ( 0.361 16.347 1.176) 16.393 27.623 ( 1.232 15.435 0.825) 15.506 27.665 ( 0.920 17.847 0.005) 17.870 27.712 ( -3.078 13.204 -1.858) 13.685 28.761 ( -0.141 5.615 0.214) 5.620 28.790 ( 0.661 5.849 -1.147) 5.997 28.864 ( -1.300 6.548 3.565) 7.568 29.095 ( -1.688 3.577 -8.878) 9.719 29.394 ( -0.145 -1.312 2.056) 2.443 29.476 ( 1.099 -0.859 -1.522) 2.065 29.525 ( 1.129 -1.312 3.568) 3.965 29.591 ( 0.710 1.391 4.050) 4.341 29.674 ( 0.483 -0.268 -1.951) 2.027 29.928 ( -2.208 -1.964 -10.958) 11.350 29.951 ( -1.262 0.482 0.376) 1.403 30.109 ( 1.703 -0.420 -5.825) 6.084 30.773 ( 2.431 -3.167 -1.010) 4.119 30.847 ( -3.617 -2.808 -0.679) 4.629 30.920 ( 2.556 -3.580 0.447) 4.421 31.001 ( -0.720 -2.636 -3.174) 4.188 31.173 ( 6.521 -4.373 0.094) 7.852 31.266 ( -4.473 -4.608 -2.515) 6.897 31.689 ( 7.158 -9.411 5.589) 13.078 31.872 ( 11.625 -18.097 19.808) 29.240 32.085 ( -4.801 -5.019 -9.763) 11.982 32.331 ( -4.408 -9.669 -4.196) 11.425 32.908 ( -16.040 -17.266 19.861) 30.820 33.483 ( 4.040 -17.241 -8.186) 19.508 ======================= Grid point 62 (26/60) ======================= q-point: (-0.25 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -23.175 8.757 4.835) 25.242 0.924 ( -14.209 13.731 17.843) 26.624 1.444 ( 9.735 3.059 6.942) 12.342 1.486 ( -3.613 10.274 6.890) 12.887 1.535 ( 8.231 6.405 0.862) 10.466 1.646 ( -7.242 10.439 -0.525) 12.716 1.727 ( -9.533 16.520 -12.921) 23.038 1.811 ( 4.753 5.624 -0.699) 7.396 1.900 ( 9.920 8.310 -5.277) 13.975 1.954 ( -6.084 1.999 1.084) 6.495 2.023 ( -3.873 0.230 6.676) 7.722 2.069 ( -6.261 3.433 1.076) 7.221 2.256 ( -0.631 1.532 -6.137) 6.357 2.302 ( -4.913 0.877 2.327) 5.507 2.343 ( 0.652 8.155 1.433) 8.306 2.380 ( -0.076 8.462 8.730) 12.158 2.486 ( 3.043 1.588 -4.736) 5.849 2.579 ( 5.797 5.756 4.001) 9.096 2.701 ( 2.164 -5.966 -0.710) 6.386 2.722 ( 0.869 -0.406 -2.162) 2.365 2.866 ( 3.205 1.313 7.340) 8.116 2.906 ( 3.214 -0.060 -3.368) 4.656 2.950 ( -2.537 5.353 -15.297) 16.404 3.014 ( -3.951 7.812 -0.123) 8.755 3.052 ( 4.631 8.340 -4.070) 10.372 3.088 ( 1.135 9.235 1.408) 9.410 3.241 ( 2.693 9.185 -3.293) 10.122 3.283 ( 1.829 10.345 -3.422) 11.048 3.316 ( 3.466 4.312 -3.760) 6.689 3.356 ( 3.136 10.880 -0.706) 11.345 3.375 ( -0.201 9.532 -1.619) 9.671 3.489 ( -0.016 14.468 0.592) 14.480 3.582 ( -1.104 8.774 -2.092) 9.087 3.655 ( -3.723 -1.696 -2.069) 4.584 3.723 ( 7.645 7.476 0.402) 10.700 3.925 ( -3.400 10.718 -7.162) 13.332 4.058 ( -5.359 3.647 2.892) 7.098 4.303 ( -0.261 -4.540 1.288) 4.726 4.328 ( -3.536 -2.901 1.985) 4.986 4.496 ( -0.658 -3.736 -0.244) 3.801 4.523 ( -1.386 1.646 4.853) 5.309 4.665 ( -8.205 -2.064 -2.286) 8.764 4.697 ( 1.375 -2.135 -0.012) 2.539 4.821 ( 3.824 -2.489 3.315) 5.639 5.139 ( 3.272 -2.381 -4.025) 5.708 5.337 ( 4.011 -5.975 6.989) 10.032 5.418 ( 2.834 -4.125 8.331) 9.719 5.625 ( -6.742 -9.769 -6.542) 13.553 5.635 ( -1.786 -0.101 1.903) 2.611 5.803 ( -6.178 -1.704 2.940) 7.051 5.914 ( -2.507 -0.735 -4.132) 4.889 6.085 ( -6.491 -2.448 -1.524) 7.102 6.310 ( -1.742 -0.200 2.331) 2.917 6.383 ( 0.639 -2.497 -0.465) 2.619 6.430 ( 0.171 -5.573 3.424) 6.543 6.510 ( 0.521 0.547 -1.181) 1.401 6.713 ( 2.080 5.490 0.816) 5.927 6.896 ( -5.010 1.023 -1.117) 5.234 7.036 ( 2.782 4.810 5.680) 7.945 7.128 ( 6.905 2.048 -3.909) 8.195 7.386 ( 1.527 10.386 3.107) 10.948 7.430 ( 4.800 5.764 -3.280) 8.186 7.978 ( -0.225 8.705 2.914) 9.182 8.063 ( 1.892 2.748 -0.068) 3.337 8.216 ( -0.737 5.488 0.556) 5.565 8.257 ( -0.170 4.530 -0.987) 4.640 8.347 ( 0.847 -3.429 1.278) 3.756 8.418 ( 2.269 2.220 0.065) 3.175 8.732 ( 2.763 4.415 -1.270) 5.361 8.765 ( -1.015 1.736 1.415) 2.459 8.822 ( 3.546 3.030 -1.500) 4.900 8.907 ( 1.034 -4.531 1.776) 4.975 9.324 ( 4.482 3.379 -1.712) 5.869 9.423 ( -2.380 2.110 0.689) 3.254 9.529 ( -1.658 8.951 3.351) 9.700 9.582 ( -3.688 4.348 -3.541) 6.711 10.114 ( 3.637 -1.429 -1.142) 4.071 10.200 ( 0.835 2.326 -0.624) 2.548 10.417 ( -1.524 0.370 1.681) 2.298 10.508 ( -2.124 0.541 -1.458) 2.632 11.003 ( 4.007 -1.087 -2.788) 5.001 11.025 ( 1.706 0.828 4.754) 5.118 11.212 ( 0.117 3.305 -0.642) 3.369 11.227 ( -2.350 3.552 -0.853) 4.344 11.293 ( -4.399 4.832 0.908) 6.597 11.568 ( -1.585 3.435 -1.799) 4.188 12.173 ( 3.351 0.512 3.292) 4.726 12.345 ( -4.081 -4.331 -2.598) 6.493 12.524 ( 5.547 2.564 -4.103) 7.361 12.686 ( 0.254 0.376 -0.448) 0.637 12.990 ( -5.506 0.835 0.742) 5.619 13.049 ( -1.948 5.879 1.137) 6.297 13.176 ( 2.704 2.028 -0.343) 3.398 13.309 ( 2.629 -5.349 -0.642) 5.994 13.439 ( 0.129 -12.716 1.623) 12.820 13.442 ( -1.674 -8.314 -1.864) 8.683 13.476 ( 1.867 -9.213 -2.766) 9.798 13.712 ( -3.379 -6.069 1.278) 7.063 14.232 ( 1.696 2.277 -1.413) 3.171 14.294 ( -1.354 -4.038 0.637) 4.307 14.361 ( -0.838 2.237 0.246) 2.402 14.520 ( 2.011 -15.438 -6.014) 16.690 14.692 ( -1.222 -6.146 -1.866) 6.539 14.725 ( -1.062 -6.512 -2.751) 7.149 15.051 ( -0.528 -13.484 0.730) 13.514 15.095 ( -0.107 -13.410 -0.476) 13.419 15.155 ( 1.039 -11.599 0.454) 11.655 15.255 ( 0.613 -12.379 -0.937) 12.429 15.752 ( 0.689 11.776 1.546) 11.897 15.984 ( 3.366 20.579 -7.420) 22.133 17.257 ( -8.076 8.176 -1.023) 11.537 17.284 ( -8.626 7.702 -1.283) 11.635 18.279 ( 3.799 12.814 2.359) 13.572 18.348 ( 7.861 12.580 -2.189) 14.995 20.436 ( -4.083 -11.433 -0.395) 12.146 20.473 ( -4.394 -10.188 0.636) 11.114 21.329 ( 2.221 -5.994 -1.702) 6.615 21.377 ( -1.583 -7.064 0.911) 7.296 21.836 ( 5.336 1.501 2.841) 6.229 21.897 ( 8.796 4.231 -2.097) 9.983 22.081 ( 0.434 6.572 4.652) 8.063 22.143 ( -3.147 4.204 -2.405) 5.776 22.389 ( 1.221 8.502 4.993) 9.935 22.492 ( 0.763 9.811 -0.943) 9.886 27.102 ( 0.924 3.590 0.247) 3.715 27.173 ( 2.898 2.093 -1.284) 3.799 27.246 ( 0.770 0.924 7.299) 7.397 27.420 ( -1.326 5.185 -2.558) 5.932 27.579 ( -1.399 14.788 0.399) 14.860 27.648 ( -2.121 13.320 -2.980) 13.813 27.668 ( 2.643 14.984 2.756) 15.463 27.816 ( 12.524 21.950 -0.106) 25.272 28.750 ( -0.547 4.864 -0.311) 4.904 28.795 ( -0.207 5.125 -0.118) 5.131 28.841 ( -1.317 8.676 2.778) 9.205 29.045 ( -1.925 6.747 -13.751) 15.438 29.371 ( -1.218 -0.191 1.703) 2.102 29.469 ( -0.959 0.840 -0.068) 1.277 29.610 ( 3.204 -2.665 4.149) 5.881 29.647 ( 4.888 -1.733 2.054) 5.578 29.707 ( 3.428 1.193 -0.184) 3.635 29.849 ( -2.142 -0.398 -10.336) 10.563 29.917 ( -2.582 1.333 1.985) 3.519 30.088 ( -4.453 -0.045 -8.675) 9.751 30.803 ( 0.400 -2.729 -1.266) 3.035 30.815 ( 1.628 -3.594 2.716) 4.790 30.965 ( -0.382 -3.938 0.310) 3.969 30.994 ( 0.757 -2.631 -4.563) 5.321 31.166 ( -2.745 -5.146 -3.863) 6.996 31.281 ( 4.705 -4.261 2.263) 6.739 31.699 ( -26.455 -18.820 -14.298) 35.475 31.774 ( -3.242 -10.698 3.844) 11.821 32.159 ( -5.725 -5.526 -4.234) 9.013 32.190 ( 5.511 -11.896 9.864) 16.407 32.752 ( 4.052 -16.439 36.293) 40.048 33.646 ( 9.071 -20.922 -4.127) 23.174 ======================= Grid point 63 (27/60) ======================= q-point: ( 0.00 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 11.194 16.204 14.350) 24.368 1.193 ( 5.059 20.670 7.877) 22.691 1.494 ( -5.986 5.470 -7.825) 11.268 1.600 ( -1.930 -1.109 3.036) 3.764 1.746 ( -1.344 1.619 -8.864) 9.110 1.841 ( -2.713 7.187 -2.982) 8.241 1.883 ( 4.570 10.054 -8.485) 13.927 1.925 ( -3.400 12.318 2.450) 13.012 1.952 ( 4.140 5.469 -3.124) 7.537 2.090 ( -5.230 10.062 2.608) 11.636 2.125 ( -0.139 5.811 2.617) 6.374 2.203 ( 3.665 8.557 -0.538) 9.324 2.257 ( -3.097 7.084 0.549) 7.751 2.277 ( 0.008 5.541 2.501) 6.079 2.414 ( -3.969 3.381 -1.411) 5.402 2.522 ( -2.889 3.750 6.506) 8.045 2.579 ( -1.207 4.182 3.423) 5.537 2.648 ( 0.751 1.801 -1.666) 2.566 2.717 ( -0.834 -1.748 0.753) 2.078 2.758 ( 3.330 1.320 -1.902) 4.056 2.871 ( -0.146 -0.165 -2.432) 2.442 2.918 ( -1.192 4.146 -0.493) 4.342 2.964 ( 0.488 -3.751 2.106) 4.329 3.092 ( 3.026 3.429 -4.022) 6.091 3.163 ( 0.111 -2.130 -6.313) 6.664 3.215 ( 3.625 -1.907 -6.126) 7.369 3.292 ( -1.686 0.948 -1.175) 2.263 3.397 ( -1.424 2.075 1.307) 2.836 3.469 ( 0.530 5.991 -1.150) 6.123 3.570 ( 4.975 0.817 -2.703) 5.721 3.634 ( -2.058 10.500 5.494) 12.027 3.786 ( -1.946 17.608 -1.631) 17.790 3.863 ( 3.237 14.111 0.658) 14.493 3.935 ( -0.238 16.006 2.420) 16.190 4.001 ( 5.351 6.601 0.340) 8.504 4.075 ( -1.110 14.921 -7.682) 16.819 4.151 ( -6.112 14.540 4.386) 16.371 4.226 ( 0.868 6.207 2.002) 6.580 4.297 ( -2.894 4.442 7.276) 9.003 4.375 ( 1.646 -0.836 -1.955) 2.688 4.580 ( -1.527 6.742 -2.490) 7.348 4.640 ( -4.486 1.701 0.989) 4.898 4.735 ( -0.731 0.030 -1.686) 1.838 4.785 ( 8.193 0.485 1.076) 8.278 5.241 ( 2.029 -1.287 1.884) 3.054 5.305 ( 0.532 -0.630 0.314) 0.883 5.336 ( 1.265 0.105 0.630) 1.417 5.405 ( -3.571 -0.790 -0.947) 3.778 5.627 ( 0.061 -3.288 2.561) 4.168 5.685 ( -0.622 -2.697 1.289) 3.053 5.883 ( 3.838 -2.114 1.327) 4.579 5.997 ( -3.372 0.807 -4.044) 5.327 6.335 ( 0.112 3.354 0.773) 3.444 6.363 ( -1.108 5.244 0.817) 5.422 6.514 ( 2.639 9.696 -1.378) 10.143 6.584 ( 0.222 5.013 -2.310) 5.524 6.829 ( -2.756 9.961 0.726) 10.361 6.946 ( 1.815 3.471 -3.777) 5.441 7.146 ( -2.436 5.073 4.548) 7.235 7.284 ( 3.994 2.909 -2.217) 5.416 7.472 ( -4.219 5.602 4.962) 8.591 7.635 ( 2.753 8.686 -3.856) 9.894 8.051 ( -2.775 -0.313 3.916) 4.810 8.146 ( -1.734 2.066 3.243) 4.218 8.264 ( -0.146 -1.404 5.156) 5.345 8.304 ( 0.567 4.982 -4.945) 7.042 8.407 ( 2.503 7.764 -2.826) 8.633 8.485 ( 1.854 -0.918 -3.689) 4.229 8.761 ( -3.604 0.385 4.948) 6.134 8.782 ( -2.324 3.652 4.389) 6.165 8.875 ( 4.193 -0.023 -1.789) 4.559 9.002 ( 0.705 5.502 -3.053) 6.332 9.423 ( -1.764 2.911 2.113) 4.006 9.500 ( 1.770 6.487 -1.409) 6.870 9.690 ( -4.364 13.805 3.267) 14.842 9.740 ( 2.542 11.966 0.777) 12.257 10.190 ( -0.600 1.308 -0.894) 1.694 10.264 ( 5.503 2.851 -4.201) 7.487 10.391 ( -4.829 1.962 2.798) 5.916 10.455 ( -0.115 -1.045 -0.526) 1.176 10.989 ( -5.901 0.163 -1.282) 6.041 11.092 ( 7.846 -0.999 -5.850) 9.838 11.263 ( 5.698 1.557 2.895) 6.578 11.277 ( -6.827 3.942 2.740) 8.346 11.461 ( 1.396 13.194 2.713) 13.542 11.627 ( -2.507 8.367 -3.871) 9.554 12.183 ( -1.387 -0.474 1.113) 1.840 12.259 ( 2.443 -3.054 -2.139) 4.458 12.596 ( -4.174 -1.279 0.629) 4.411 12.643 ( 5.221 -2.155 -1.990) 5.988 12.960 ( -0.593 -4.504 4.402) 6.326 13.063 ( -1.967 -6.593 0.516) 6.899 13.091 ( -0.764 -6.132 1.706) 6.411 13.135 ( -1.846 -10.566 0.550) 10.741 13.202 ( 3.339 -9.613 -0.791) 10.207 13.248 ( -1.078 -6.641 -2.119) 7.054 13.332 ( 0.211 -10.682 3.966) 11.396 13.664 ( 0.809 -5.522 -9.985) 11.439 14.046 ( -1.131 -15.955 0.489) 16.003 14.072 ( 0.755 -15.974 -0.815) 16.013 14.318 ( -0.639 -6.813 -0.864) 6.897 14.331 ( 1.870 -13.524 -2.134) 13.819 14.488 ( -0.806 -9.835 1.670) 10.008 14.562 ( -0.174 -10.609 -1.807) 10.763 14.707 ( -0.325 -20.157 0.069) 20.160 14.740 ( 2.525 -19.053 -1.011) 19.246 14.860 ( 0.076 -19.547 0.739) 19.561 14.895 ( -0.920 -20.620 -0.673) 20.651 16.176 ( 0.560 26.027 4.202) 26.370 16.516 ( -0.275 27.661 -13.812) 30.919 17.353 ( -1.319 14.247 1.574) 14.394 17.420 ( 0.666 16.408 -1.289) 16.472 18.708 ( -0.932 24.709 2.015) 24.808 18.807 ( 0.894 22.672 -2.454) 22.822 20.143 ( -0.824 -9.807 1.039) 9.896 20.184 ( 1.143 -11.160 -0.532) 11.231 21.199 ( -1.560 -6.520 1.210) 6.813 21.269 ( 2.358 -6.433 -2.584) 7.322 21.855 ( -1.883 -6.419 5.181) 8.461 21.978 ( 0.406 -7.315 -1.356) 7.450 22.222 ( -2.916 9.917 -0.064) 10.337 22.257 ( 2.231 8.812 -1.437) 9.203 22.601 ( -0.089 10.218 3.680) 10.861 22.706 ( 0.067 10.117 -1.417) 10.216 27.207 ( -0.583 7.152 0.008) 7.176 27.250 ( -0.728 5.834 -0.724) 5.923 27.378 ( 0.922 7.167 5.237) 8.925 27.546 ( -0.137 8.854 -2.936) 9.329 27.887 ( -0.379 17.823 -0.139) 17.828 27.894 ( -0.280 16.339 -0.792) 16.361 28.094 ( 2.299 17.585 4.233) 18.232 28.238 ( -2.029 10.489 -2.328) 10.934 28.810 ( -1.011 5.177 1.608) 5.515 28.905 ( 1.907 6.517 -2.619) 7.278 29.005 ( -2.904 10.279 3.472) 11.231 29.292 ( 4.391 5.712 -7.420) 10.343 29.401 ( 1.855 1.074 -0.899) 2.324 29.486 ( -0.426 0.607 -4.105) 4.171 29.528 ( -0.858 -5.278 2.433) 5.875 29.670 ( 1.429 -7.409 -2.232) 7.869 29.778 ( 0.256 3.055 0.420) 3.095 29.800 ( -3.640 1.490 -0.424) 3.956 29.938 ( -0.391 4.570 0.817) 4.659 30.136 ( 5.357 7.249 -13.162) 15.953 30.701 ( -8.908 -7.840 3.644) 12.413 30.758 ( 1.368 -5.748 0.006) 5.908 30.785 ( -0.126 -6.313 5.484) 8.364 30.928 ( -2.598 -6.256 1.292) 6.896 30.940 ( 0.652 -4.982 -3.060) 5.883 31.028 ( -1.158 -10.357 -3.772) 11.083 31.264 ( 4.908 -9.002 5.519) 11.644 31.426 ( -4.886 -13.381 -2.099) 14.399 32.028 ( 2.048 -6.693 0.445) 7.013 32.067 ( 0.701 -7.811 -1.470) 7.979 32.500 ( 4.177 -20.947 27.856) 35.102 33.177 ( -1.335 -30.099 -8.405) 31.279 ======================= Grid point 64 (28/60) ======================= q-point: ( 0.25 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -3.122 19.809 9.720) 22.285 1.313 ( 12.778 12.394 12.728) 21.883 1.500 ( -1.167 0.561 -4.430) 4.615 1.569 ( 5.477 6.660 -6.266) 10.659 1.709 ( -3.463 7.259 -7.399) 10.928 1.748 ( -3.471 4.661 -1.707) 6.057 1.884 ( -3.290 9.365 -1.386) 10.022 1.954 ( 3.000 8.917 -8.598) 12.745 2.006 ( 2.704 2.014 2.355) 4.112 2.093 ( 2.568 6.787 -1.538) 7.418 2.147 ( 1.640 4.441 1.883) 5.095 2.213 ( 1.851 6.511 -0.243) 6.773 2.236 ( -1.897 3.668 -5.932) 7.228 2.322 ( 1.174 4.161 4.369) 6.147 2.379 ( 4.865 6.696 2.927) 8.779 2.430 ( -4.705 3.987 4.498) 7.633 2.555 ( -0.099 5.676 1.826) 5.963 2.600 ( -4.309 -0.696 4.612) 6.350 2.653 ( -1.596 1.836 0.576) 2.500 2.803 ( 1.054 7.029 -0.489) 7.124 2.880 ( 0.153 3.301 2.046) 3.887 2.918 ( 0.001 -1.399 -0.775) 1.599 3.038 ( 2.861 -1.384 -2.337) 3.945 3.123 ( 0.810 -2.709 0.078) 2.828 3.149 ( -2.314 2.299 -2.732) 4.256 3.266 ( -1.875 -4.329 -0.340) 4.730 3.319 ( 2.601 2.830 -5.481) 6.694 3.347 ( 2.648 9.978 -4.582) 11.295 3.470 ( 0.469 8.017 -1.337) 8.141 3.554 ( -5.471 6.514 5.333) 10.040 3.642 ( 0.798 2.413 -5.817) 6.348 3.754 ( -2.199 17.782 -2.055) 18.035 3.887 ( -0.022 12.915 1.686) 13.025 3.928 ( -0.299 8.659 1.380) 8.773 4.024 ( -1.984 22.226 -1.436) 22.360 4.086 ( 1.484 9.959 -0.422) 10.078 4.141 ( 5.965 7.626 1.000) 9.733 4.291 ( 6.247 9.085 5.043) 12.124 4.369 ( 3.918 5.246 2.193) 6.905 4.421 ( 1.454 3.975 -3.065) 5.226 4.485 ( -4.665 -1.633 -1.105) 5.064 4.600 ( 2.057 8.812 -0.887) 9.092 4.746 ( 1.328 0.401 0.786) 1.594 4.873 ( 1.119 -2.829 1.297) 3.307 5.091 ( -12.754 1.389 -3.105) 13.200 5.221 ( -3.551 -3.010 5.218) 6.993 5.339 ( -5.180 -3.187 3.338) 6.937 5.564 ( 11.398 -6.606 -4.205) 13.829 5.661 ( 3.787 0.774 0.527) 3.901 5.716 ( 2.299 -1.032 2.743) 3.725 5.944 ( 0.074 -3.760 -3.853) 5.384 5.960 ( 2.630 -2.526 -0.116) 3.648 6.306 ( -2.467 -0.231 1.693) 3.001 6.357 ( -0.201 4.272 -0.315) 4.288 6.533 ( 0.434 8.572 0.054) 8.584 6.589 ( -0.785 7.018 -0.704) 7.097 6.808 ( -0.033 6.269 -0.660) 6.304 6.906 ( -3.904 3.477 -2.277) 5.702 7.080 ( -2.728 6.170 1.868) 7.000 7.290 ( -3.384 5.437 -1.038) 6.487 7.470 ( 3.436 9.399 2.231) 10.253 7.662 ( -0.515 10.642 -1.140) 10.715 8.004 ( -1.133 -0.376 1.141) 1.651 8.116 ( -0.695 1.003 2.390) 2.684 8.272 ( -0.359 -0.368 3.328) 3.368 8.330 ( 1.895 4.222 -2.615) 5.315 8.431 ( 0.378 4.442 -1.197) 4.616 8.496 ( -0.423 0.502 -1.563) 1.695 8.700 ( -2.169 3.756 5.692) 7.156 8.770 ( 1.478 5.169 0.812) 5.437 8.916 ( -1.373 3.636 0.435) 3.911 9.012 ( -0.800 4.837 -1.840) 5.236 9.384 ( -0.236 3.499 -0.578) 3.554 9.462 ( -4.463 5.205 0.596) 6.882 9.661 ( 1.950 12.646 0.106) 12.796 9.804 ( 2.443 10.253 1.551) 10.654 10.157 ( -2.324 1.154 -2.070) 3.319 10.235 ( -6.406 3.443 -0.482) 7.288 10.384 ( 3.598 -1.270 0.800) 3.898 10.493 ( 3.121 0.136 -0.861) 3.240 10.907 ( -1.074 0.733 -0.989) 1.634 11.130 ( -6.926 1.381 2.188) 7.393 11.279 ( 9.592 4.463 -5.070) 11.731 11.379 ( 2.260 1.610 5.459) 6.124 11.466 ( -0.769 12.192 0.282) 12.219 11.592 ( 0.451 8.553 -3.698) 9.329 12.163 ( -1.038 -0.458 1.148) 1.615 12.282 ( 1.560 -2.822 -0.559) 3.273 12.584 ( 1.810 -0.105 -3.706) 4.125 12.656 ( -4.533 -2.203 2.153) 5.480 12.971 ( 1.547 -7.108 3.666) 8.146 13.036 ( -0.101 -12.991 1.138) 13.041 13.091 ( 0.017 -3.927 -0.607) 3.974 13.120 ( 1.775 -4.647 1.966) 5.349 13.205 ( -2.618 -11.834 -0.904) 12.154 13.311 ( 5.638 -8.195 -2.432) 10.240 13.321 ( -1.364 -9.935 2.363) 10.302 13.574 ( -6.729 -4.663 -6.441) 10.417 14.060 ( 1.602 -15.941 -0.046) 16.022 14.105 ( 2.039 -16.783 -1.033) 16.938 14.306 ( -1.850 -10.875 0.269) 11.035 14.322 ( -0.216 -6.559 -1.062) 6.648 14.508 ( 1.679 -12.119 -0.234) 12.237 14.542 ( -1.213 -10.893 -1.285) 11.035 14.716 ( 1.390 -20.296 -0.226) 20.345 14.772 ( -1.053 -20.198 2.069) 20.331 14.846 ( 0.722 -18.244 -0.454) 18.263 14.915 ( 1.347 -19.558 -1.568) 19.667 16.167 ( -1.775 26.148 4.664) 26.620 16.444 ( -3.244 30.273 -11.139) 32.420 17.421 ( 6.779 13.374 1.075) 15.032 17.533 ( 7.848 13.808 -1.658) 15.969 18.621 ( -5.972 23.550 1.231) 24.327 18.708 ( -8.405 22.265 -1.227) 23.831 20.225 ( 7.366 -8.380 -1.123) 11.214 20.272 ( 5.078 -9.899 0.996) 11.170 21.190 ( 1.233 -5.630 -0.208) 5.767 21.298 ( 0.009 -6.245 0.148) 6.246 21.766 ( -5.601 -4.592 2.836) 7.778 21.895 ( -7.603 -4.506 -1.014) 8.896 22.184 ( 0.527 8.410 -0.247) 8.430 22.280 ( -0.286 6.114 0.143) 6.123 22.597 ( -0.566 10.518 3.482) 11.094 22.700 ( -0.306 10.495 -1.571) 10.616 27.194 ( -0.231 7.919 -0.037) 7.923 27.235 ( -0.902 6.187 -0.374) 6.263 27.375 ( -1.308 7.777 5.344) 9.526 27.550 ( 0.674 8.024 -3.339) 8.717 27.901 ( 1.891 17.514 0.091) 17.616 27.914 ( 2.153 17.528 -0.343) 17.663 28.098 ( -2.991 17.052 2.647) 17.514 28.122 ( -6.406 15.688 -1.203) 16.988 28.840 ( 3.199 5.788 0.072) 6.614 28.944 ( -1.790 8.537 1.744) 8.896 28.966 ( 2.621 6.256 -1.389) 6.923 29.301 ( -3.995 4.595 -5.681) 8.328 29.398 ( -3.995 2.108 0.031) 4.517 29.433 ( 0.469 -1.115 -1.132) 1.657 29.511 ( -1.224 -3.692 1.436) 4.146 29.606 ( -3.568 -2.786 3.269) 5.583 29.739 ( -1.877 5.342 -0.407) 5.677 29.841 ( 4.431 -2.090 -5.168) 7.121 29.962 ( 1.838 3.275 1.533) 4.056 30.162 ( -2.444 3.164 -11.040) 11.742 30.625 ( 2.726 -6.063 0.547) 6.670 30.785 ( 1.458 -4.554 2.339) 5.323 30.832 ( -0.438 -6.685 0.251) 6.704 30.924 ( 2.876 -6.136 0.709) 6.813 30.945 ( 0.268 -5.619 -2.290) 6.073 31.129 ( 7.782 -9.312 2.797) 12.454 31.335 ( -0.944 -13.346 -1.621) 13.477 31.387 ( 4.664 -13.899 6.594) 16.075 32.036 ( -1.741 -7.032 -3.636) 8.106 32.108 ( 3.537 -9.138 -0.799) 9.831 32.591 ( -0.042 -23.784 23.213) 33.234 33.093 ( -4.293 -26.939 -9.963) 29.042 ======================= Grid point 65 (29/60) ======================= q-point: (-0.50 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -1.310 9.230 7.913) 12.228 1.381 ( -8.189 5.225 7.046) 12.000 1.445 ( -13.463 7.893 0.040) 15.606 1.556 ( 5.995 12.167 1.509) 13.647 1.703 ( 9.635 8.508 -13.106) 18.358 1.746 ( 2.461 9.125 -3.150) 9.962 1.857 ( 4.421 7.090 -7.348) 11.126 1.940 ( -8.293 1.735 3.962) 9.354 2.068 ( -0.096 0.889 -10.431) 10.470 2.138 ( -1.029 6.717 4.867) 8.359 2.156 ( 2.244 4.544 -1.383) 5.253 2.224 ( 4.729 6.052 -1.169) 7.769 2.290 ( 1.867 2.754 1.141) 3.517 2.343 ( 3.165 5.096 8.066) 10.052 2.410 ( -3.368 2.930 -1.739) 4.791 2.480 ( 4.764 5.082 0.037) 6.966 2.560 ( 0.677 6.329 3.068) 7.066 2.599 ( 0.285 1.514 1.978) 2.507 2.668 ( 3.556 -2.976 -1.050) 4.755 2.771 ( -3.354 5.461 0.286) 6.415 2.833 ( -5.981 4.200 5.760) 9.305 2.920 ( 0.905 8.788 4.393) 9.866 3.038 ( -0.704 1.687 -0.104) 1.831 3.106 ( -0.778 0.566 2.159) 2.364 3.145 ( 3.687 0.403 -5.818) 6.900 3.252 ( -4.733 4.067 3.407) 7.110 3.303 ( 1.055 1.877 -5.349) 5.766 3.368 ( -0.534 7.144 1.296) 7.280 3.489 ( -1.843 2.063 -0.880) 2.903 3.513 ( 4.029 8.016 -7.971) 12.001 3.606 ( -4.010 7.803 -5.114) 10.155 3.730 ( 2.632 14.048 -4.614) 15.019 3.885 ( -2.032 2.002 4.974) 5.734 3.916 ( -0.686 16.459 0.275) 16.475 3.985 ( -1.730 24.142 -1.543) 24.253 4.122 ( 1.400 7.323 -1.783) 7.665 4.249 ( 3.390 11.529 1.322) 12.089 4.326 ( -5.834 4.080 -0.499) 7.136 4.398 ( -0.365 7.425 -0.813) 7.478 4.454 ( 7.419 11.896 4.528) 14.733 4.509 ( 1.408 -1.469 0.226) 2.047 4.637 ( -0.443 0.247 -1.630) 1.707 4.715 ( -2.463 0.600 1.119) 2.771 4.888 ( -7.558 0.695 -1.580) 7.752 4.995 ( 11.029 -2.681 4.821) 12.332 5.099 ( -5.156 -1.445 -1.586) 5.585 5.303 ( 1.099 -3.489 6.194) 7.194 5.616 ( -3.069 -7.615 -2.981) 8.735 5.659 ( -3.435 3.758 0.006) 5.091 5.849 ( 5.905 -2.856 0.425) 6.573 5.910 ( -2.698 -2.499 -3.325) 4.958 6.024 ( 1.204 -6.101 -2.521) 6.710 6.295 ( 3.022 -0.371 0.540) 3.092 6.372 ( 1.985 -1.139 -1.758) 2.886 6.452 ( -7.346 6.401 6.897) 11.937 6.598 ( -0.755 8.264 0.043) 8.298 6.782 ( 0.958 4.631 0.003) 4.729 6.874 ( 1.341 2.581 -4.716) 5.541 7.124 ( 4.756 8.063 1.092) 9.424 7.210 ( -2.869 9.452 -3.432) 10.458 7.497 ( -1.682 10.663 4.930) 11.867 7.660 ( 1.130 11.440 -2.857) 11.845 8.019 ( 2.097 -0.197 1.672) 2.689 8.108 ( -0.525 3.615 -1.738) 4.045 8.264 ( -0.463 -1.613 6.393) 6.610 8.338 ( -0.902 0.853 -1.332) 1.820 8.423 ( -1.101 3.579 -1.129) 3.911 8.501 ( 0.380 6.219 -0.880) 6.293 8.696 ( 0.373 1.842 4.302) 4.695 8.779 ( -0.657 4.438 6.707) 8.070 8.904 ( 0.952 4.022 -3.739) 5.573 8.969 ( -0.826 11.022 -2.394) 11.310 9.373 ( -1.515 4.957 0.845) 5.251 9.442 ( 2.878 1.947 -2.752) 4.432 9.729 ( 3.117 11.405 2.071) 12.003 9.796 ( -3.545 10.601 -0.651) 11.197 10.055 ( -3.191 -2.077 2.391) 4.496 10.220 ( 2.266 2.419 -5.634) 6.536 10.436 ( 1.049 0.170 3.002) 3.184 10.533 ( 0.373 -0.761 -1.920) 2.099 10.934 ( 2.838 1.068 2.248) 3.775 11.026 ( -2.174 1.555 -1.750) 3.195 11.305 ( -6.117 2.497 3.311) 7.390 11.411 ( 2.478 11.457 -0.759) 11.747 11.515 ( 1.930 11.827 -0.144) 11.984 11.605 ( 1.670 3.491 -4.606) 6.016 12.152 ( 0.289 0.611 3.416) 3.482 12.323 ( 0.558 -4.912 -4.532) 6.706 12.499 ( -5.445 -3.270 4.570) 7.824 12.664 ( 3.425 -1.052 -2.836) 4.570 13.004 ( 0.395 -7.003 2.284) 7.377 13.052 ( 0.749 -10.940 2.595) 11.269 13.098 ( 0.071 -9.564 -1.365) 9.662 13.152 ( 1.048 0.315 0.469) 1.190 13.181 ( 1.379 -10.819 0.286) 10.910 13.275 ( -3.453 -13.652 1.766) 14.192 13.371 ( -1.014 -1.612 -3.245) 3.763 13.493 ( 1.884 -10.417 -4.059) 11.337 14.082 ( 0.315 -15.389 0.050) 15.393 14.131 ( 0.349 -19.433 -1.793) 19.519 14.253 ( -2.002 -7.077 2.546) 7.783 14.341 ( 1.065 -7.165 -1.759) 7.455 14.529 ( 0.294 -9.949 -0.803) 9.985 14.532 ( 0.682 -13.650 -1.739) 13.777 14.726 ( -2.536 -20.408 2.644) 20.735 14.748 ( 0.872 -19.747 0.652) 19.777 14.853 ( -0.753 -19.756 0.720) 19.784 14.935 ( 0.956 -17.636 -2.754) 17.875 16.139 ( -0.990 26.848 4.162) 27.187 16.411 ( 1.472 29.082 -8.593) 30.361 17.530 ( 1.225 10.609 1.726) 10.818 17.620 ( -0.397 13.586 -2.242) 13.775 18.547 ( -0.115 22.259 1.070) 22.285 18.597 ( -0.006 22.686 -1.185) 22.717 20.307 ( -1.811 -8.191 0.604) 8.411 20.342 ( 1.811 -6.870 -1.140) 7.196 21.239 ( 1.430 -4.163 1.122) 4.542 21.254 ( -2.808 -5.749 0.892) 6.460 21.721 ( 1.678 -3.975 1.276) 4.499 21.795 ( 0.383 -4.113 -2.256) 4.707 22.212 ( 1.582 7.607 1.533) 7.919 22.258 ( -1.564 3.481 -0.751) 3.890 22.591 ( -0.414 10.896 3.387) 11.417 22.697 ( 0.219 10.525 -1.622) 10.652 27.203 ( 0.580 7.902 -0.216) 7.926 27.224 ( 0.727 7.100 -0.761) 7.177 27.355 ( -1.462 7.739 6.150) 9.992 27.557 ( 0.428 7.658 -3.573) 8.461 27.942 ( 0.693 17.245 0.718) 17.274 27.974 ( 2.618 18.535 0.357) 18.722 28.011 ( -4.030 16.845 -0.024) 17.321 28.043 ( 0.462 18.409 -0.263) 18.416 28.894 ( 0.062 7.324 0.040) 7.325 28.916 ( 0.393 6.915 -0.661) 6.958 29.018 ( 1.832 8.051 2.371) 8.590 29.179 ( -3.947 4.674 -6.682) 9.059 29.366 ( -0.825 -1.358 3.088) 3.473 29.455 ( 1.955 -1.229 -1.121) 2.567 29.491 ( -0.269 -2.574 2.873) 3.867 29.575 ( -0.453 -2.631 1.935) 3.298 29.730 ( 0.879 5.930 -0.844) 6.054 29.875 ( -0.542 -2.251 -7.590) 7.936 29.984 ( -0.122 3.008 1.900) 3.560 30.117 ( -0.024 1.383 -5.478) 5.650 30.683 ( 2.282 -5.956 -1.241) 6.498 30.767 ( -3.478 -5.507 -2.064) 6.833 30.828 ( 2.344 -5.395 2.051) 6.229 30.928 ( -0.549 -4.669 -2.587) 5.366 31.053 ( 6.407 -7.795 1.573) 10.212 31.143 ( -4.945 -7.800 -2.455) 9.556 31.421 ( 6.493 -17.238 5.152) 19.128 31.462 ( -0.630 -21.019 8.582) 22.712 31.992 ( -1.316 -4.957 -3.119) 6.003 32.124 ( -2.541 -10.392 -4.081) 11.450 32.544 ( -6.229 -18.264 16.965) 25.694 33.057 ( 2.756 -24.796 -8.075) 26.223 ======================= Grid point 66 (30/60) ======================= q-point: (-0.25 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -10.992 13.198 2.279) 17.327 1.201 ( -7.664 14.571 12.211) 20.498 1.460 ( 10.189 2.147 0.722) 10.438 1.650 ( -3.369 4.573 -2.983) 6.416 1.773 ( 0.739 7.783 -1.425) 7.947 1.789 ( 2.568 10.059 -5.213) 11.617 1.905 ( 4.892 4.230 -3.881) 7.542 1.936 ( -5.914 7.980 -10.925) 14.765 2.018 ( 1.971 4.423 -2.224) 5.328 2.082 ( 1.059 5.927 5.526) 8.173 2.127 ( -2.181 8.101 -1.713) 8.563 2.242 ( -7.432 5.966 -1.524) 9.651 2.318 ( -3.022 4.661 -6.207) 8.330 2.360 ( -3.018 10.141 10.344) 14.797 2.423 ( 1.857 2.671 4.580) 5.618 2.507 ( 3.873 5.553 5.587) 8.777 2.565 ( 1.903 4.420 4.690) 6.720 2.609 ( -3.507 -0.802 1.048) 3.747 2.645 ( 4.416 1.445 3.543) 5.843 2.754 ( -1.197 1.383 -7.827) 8.038 2.869 ( 5.141 -0.602 0.839) 5.243 2.902 ( -2.343 2.639 3.539) 4.998 3.035 ( 2.232 2.975 -4.050) 5.498 3.083 ( -7.102 1.885 -5.315) 9.068 3.163 ( 1.148 2.335 0.577) 2.666 3.186 ( 0.589 0.024 -4.992) 5.027 3.358 ( 1.506 2.546 1.944) 3.539 3.396 ( -5.973 -0.740 0.249) 6.024 3.417 ( 5.212 5.176 -2.786) 7.855 3.526 ( -0.943 5.568 -4.927) 7.494 3.612 ( 4.320 10.330 1.540) 11.302 3.779 ( 1.108 12.264 -3.012) 12.677 3.866 ( -1.614 16.821 2.271) 17.050 3.896 ( 2.235 8.579 2.068) 9.104 3.950 ( -1.279 19.814 -1.033) 19.882 4.114 ( -1.693 9.448 -4.548) 10.622 4.209 ( -3.235 12.105 0.300) 12.533 4.282 ( -2.595 4.058 4.218) 6.402 4.370 ( -1.917 6.138 -0.290) 6.437 4.459 ( -7.622 3.996 3.360) 9.239 4.562 ( 5.055 0.787 -0.091) 5.117 4.634 ( 0.463 2.754 -0.834) 2.914 4.681 ( -1.369 1.305 -3.263) 3.772 4.789 ( -1.704 3.900 4.482) 6.181 5.093 ( 7.037 -1.986 -3.156) 7.963 5.261 ( 8.777 -1.796 5.136) 10.326 5.327 ( 0.045 -3.982 3.967) 5.621 5.488 ( -6.001 -4.278 -5.061) 8.940 5.634 ( 0.243 0.481 0.907) 1.055 5.775 ( -7.871 -1.352 2.611) 8.403 5.867 ( -3.003 -2.507 -1.822) 4.316 6.052 ( 0.510 -1.412 -3.102) 3.446 6.340 ( -2.536 4.648 1.975) 5.651 6.377 ( 0.442 -0.835 2.047) 2.255 6.422 ( 5.288 6.216 -1.610) 8.318 6.577 ( 0.538 7.692 -1.509) 7.857 6.862 ( 2.513 8.809 0.702) 9.187 6.906 ( 1.813 0.665 -3.686) 4.161 7.148 ( -1.613 8.514 3.742) 9.439 7.208 ( 3.501 5.993 -1.658) 7.135 7.512 ( 1.794 6.606 1.023) 6.921 7.636 ( -3.061 10.441 -0.746) 10.906 8.064 ( 1.154 -0.431 3.629) 3.833 8.125 ( 2.729 3.334 -1.682) 4.625 8.269 ( -0.009 -2.547 4.693) 5.339 8.324 ( -0.762 4.008 -1.232) 4.262 8.380 ( -1.644 6.394 -2.027) 6.907 8.481 ( -1.295 2.382 -1.124) 2.935 8.735 ( 3.655 1.269 0.668) 3.926 8.798 ( 0.265 1.820 7.566) 7.786 8.874 ( -2.265 1.618 -2.049) 3.456 9.000 ( 1.218 10.525 -2.022) 10.787 9.416 ( 4.759 6.018 -1.530) 7.823 9.444 ( -1.321 1.144 1.510) 2.310 9.731 ( -1.334 11.087 -2.543) 11.453 9.755 ( -1.512 13.378 4.247) 14.117 10.086 ( 5.717 -0.643 -1.464) 5.936 10.256 ( 0.601 3.082 -1.129) 3.336 10.424 ( -1.433 0.654 1.011) 1.872 10.507 ( -2.585 -0.795 -1.120) 2.927 10.988 ( 2.964 -0.310 -4.084) 5.055 11.047 ( 1.818 1.370 5.256) 5.727 11.211 ( -2.282 0.582 -2.555) 3.475 11.402 ( -3.645 10.915 2.239) 11.723 11.471 ( -3.480 11.858 0.070) 12.358 11.645 ( 1.236 4.772 -2.759) 5.648 12.189 ( 2.357 0.570 2.153) 3.243 12.254 ( -4.307 -4.785 -1.631) 6.641 12.513 ( 5.271 -3.808 -1.525) 6.679 12.693 ( -1.907 -0.303 0.336) 1.960 12.979 ( -1.891 -4.014 2.128) 4.921 13.078 ( 1.644 -12.311 2.754) 12.722 13.097 ( -0.342 -4.625 0.366) 4.652 13.154 ( -2.920 -12.090 0.403) 12.444 13.212 ( -0.864 -10.472 0.930) 10.549 13.232 ( 2.706 -4.826 0.430) 5.549 13.330 ( -1.345 -6.120 -2.688) 6.819 13.583 ( 6.145 -7.832 -5.896) 11.570 14.074 ( -0.880 -15.413 -0.220) 15.439 14.101 ( -2.771 -17.817 -0.794) 18.048 14.264 ( 2.847 -9.131 -0.440) 9.575 14.343 ( -0.798 -7.394 -0.568) 7.459 14.523 ( -1.592 -11.783 -0.620) 11.906 14.549 ( 1.435 -10.053 -1.251) 10.232 14.695 ( -0.089 -20.318 0.795) 20.334 14.744 ( -1.381 -20.156 1.115) 20.234 14.844 ( 0.374 -19.109 -0.331) 19.115 14.932 ( -1.237 -19.510 -1.198) 19.585 16.147 ( 1.172 26.737 3.645) 27.010 16.469 ( 4.731 27.192 -9.936) 29.335 17.452 ( -7.091 11.913 2.345) 14.060 17.520 ( -7.578 15.001 -3.333) 17.134 18.636 ( 6.503 23.301 1.723) 24.253 18.693 ( 8.059 22.605 -1.709) 24.060 20.220 ( -5.420 -9.020 -0.805) 10.554 20.271 ( -7.318 -8.615 0.705) 11.325 21.217 ( 0.339 -6.144 -1.496) 6.333 21.247 ( -1.039 -5.248 1.734) 5.624 21.805 ( 5.018 -4.884 2.680) 7.497 21.901 ( 7.259 -5.052 -1.325) 8.943 22.224 ( -0.472 6.161 -1.762) 6.426 22.248 ( 0.902 7.527 1.614) 7.751 22.593 ( 0.197 10.713 3.465) 11.261 22.702 ( 0.401 10.243 -1.469) 10.355 27.207 ( 0.302 7.010 -0.606) 7.043 27.258 ( 1.132 6.434 -1.550) 6.714 27.343 ( 0.363 7.909 6.834) 10.459 27.556 ( -0.172 8.230 -3.070) 8.786 27.913 ( -2.021 18.050 0.264) 18.165 27.930 ( -3.120 16.085 -0.959) 16.412 28.028 ( 3.218 18.740 1.618) 19.082 28.165 ( 7.643 14.319 0.285) 16.234 28.862 ( -2.744 6.033 0.394) 6.640 28.903 ( -1.442 5.925 -0.538) 6.122 29.037 ( -0.646 10.484 4.579) 11.458 29.189 ( 5.393 7.230 -11.113) 14.313 29.365 ( 0.968 -0.602 1.277) 1.712 29.474 ( 0.458 -0.835 0.175) 0.969 29.532 ( 1.388 -5.280 2.837) 6.152 29.592 ( 3.336 -3.459 -0.225) 4.811 29.762 ( 1.904 4.454 0.259) 4.851 29.838 ( -1.282 0.060 -4.655) 4.829 29.965 ( -1.703 3.860 1.508) 4.480 30.113 ( -0.241 2.664 -7.976) 8.413 30.716 ( 1.157 -6.403 1.255) 6.627 30.726 ( 0.131 -5.240 -1.602) 5.481 30.860 ( -0.638 -6.514 1.955) 6.831 30.923 ( 0.545 -4.517 -3.541) 5.765 31.026 ( -4.946 -8.917 -2.962) 10.618 31.165 ( 4.681 -7.873 3.219) 9.709 31.280 ( -17.592 -19.897 0.987) 26.577 31.497 ( -0.671 -16.784 3.101) 17.081 32.017 ( 3.197 -6.827 3.053) 8.133 32.040 ( -3.098 -6.608 -3.573) 8.126 32.451 ( -3.350 -14.543 19.822) 24.812 33.145 ( 4.938 -28.284 -6.745) 29.493 ======================= Grid point 67 (31/60) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 6.591 12.446 6.221) 15.396 1.495 ( 2.293 5.530 -2.942) 6.670 1.594 ( 3.069 9.195 -6.495) 11.669 1.701 ( 3.052 14.468 3.220) 15.133 1.816 ( -2.896 5.375 -5.796) 8.419 1.962 ( -6.067 6.702 -4.583) 10.136 2.027 ( 1.256 5.482 -2.920) 6.337 2.063 ( 0.389 4.274 2.336) 4.886 2.091 ( 2.937 7.521 -6.073) 10.103 2.186 ( -4.503 2.296 -1.794) 5.363 2.261 ( 0.364 4.714 -1.129) 4.861 2.328 ( -0.383 3.819 0.806) 3.922 2.371 ( -0.071 4.121 1.141) 4.276 2.422 ( -4.919 4.975 2.911) 7.578 2.493 ( 2.244 3.844 2.152) 4.944 2.576 ( -5.092 1.705 -0.695) 5.415 2.613 ( -1.610 1.936 3.122) 4.011 2.713 ( 0.367 5.235 3.546) 6.334 2.739 ( 1.206 4.587 0.255) 4.749 2.764 ( 4.027 0.089 4.074) 5.729 2.871 ( -0.969 0.080 0.042) 0.974 2.981 ( -3.369 3.921 4.759) 7.026 3.028 ( 3.656 4.670 0.242) 5.936 3.072 ( -4.178 -2.098 0.665) 4.722 3.123 ( 0.324 -1.779 -0.994) 2.064 3.182 ( 0.713 -0.869 -2.873) 3.085 3.278 ( 0.165 -0.067 -6.186) 6.189 3.375 ( 4.099 -4.501 -2.711) 6.664 3.581 ( 1.282 4.385 2.530) 5.222 3.615 ( -0.761 4.883 -2.398) 5.493 3.705 ( -2.774 -2.098 5.956) 6.897 3.893 ( 2.768 -1.345 -1.456) 3.404 3.966 ( -2.124 -0.906 5.554) 6.015 4.032 ( 3.546 -3.097 -0.195) 4.712 4.143 ( 1.889 5.969 3.080) 6.978 4.276 ( -2.790 -0.141 -5.244) 5.942 4.332 ( 3.696 5.509 -0.423) 6.648 4.368 ( -6.527 8.945 -1.218) 11.140 4.429 ( 1.649 3.900 -1.527) 4.501 4.484 ( -0.640 4.891 -2.477) 5.519 4.675 ( 2.783 9.842 4.755) 11.279 4.845 ( -2.547 13.450 -1.768) 13.802 4.898 ( 4.761 14.272 2.568) 15.263 4.986 ( -3.972 14.861 -3.288) 15.730 5.225 ( -2.546 -0.312 1.310) 2.880 5.280 ( 7.899 -1.113 3.547) 8.730 5.363 ( 0.158 0.812 -2.881) 2.997 5.453 ( -4.778 5.606 -0.695) 7.399 5.602 ( 1.028 1.831 0.732) 2.224 5.641 ( -0.781 -1.329 -0.521) 1.627 5.881 ( 3.364 2.286 1.623) 4.379 6.008 ( -3.497 1.092 -4.846) 6.075 6.378 ( -2.269 1.788 2.752) 3.990 6.525 ( 5.802 7.327 -3.070) 9.837 6.700 ( -9.425 7.161 2.189) 12.038 6.798 ( 5.000 15.573 -3.159) 16.659 7.055 ( 3.179 9.043 -0.758) 9.616 7.059 ( -1.034 12.528 -0.917) 12.604 7.304 ( -0.368 13.218 2.708) 13.498 7.408 ( -0.544 12.371 -3.110) 12.767 7.632 ( -0.597 12.021 3.647) 12.576 7.783 ( 2.876 6.797 -2.856) 7.913 8.032 ( -2.065 -1.483 5.941) 6.462 8.187 ( -3.506 1.998 7.504) 8.520 8.247 ( -1.463 0.304 5.661) 5.855 8.378 ( -1.954 0.141 -5.971) 6.284 8.457 ( 2.069 1.744 -4.835) 5.541 8.557 ( 5.955 7.108 -6.648) 11.410 8.802 ( -3.359 1.970 3.933) 5.535 8.816 ( -2.571 -0.383 2.082) 3.331 8.902 ( 5.599 2.342 1.133) 6.174 9.088 ( -1.376 2.916 -4.558) 5.583 9.513 ( -1.050 7.366 3.708) 8.314 9.654 ( 2.653 9.023 -2.812) 9.816 9.915 ( -2.714 8.474 5.614) 10.521 10.023 ( -0.453 16.212 0.230) 16.220 10.236 ( 3.708 0.073 -0.182) 3.713 10.282 ( -3.514 3.873 -0.923) 5.310 10.445 ( 2.172 1.076 1.228) 2.717 10.536 ( -1.557 11.693 -2.632) 12.086 11.017 ( -6.911 2.514 -2.355) 7.722 11.077 ( 8.343 0.134 -5.118) 9.789 11.280 ( 6.804 0.079 3.647) 7.721 11.339 ( -8.419 1.882 2.416) 8.959 11.735 ( 0.162 13.687 0.513) 13.697 11.808 ( -0.562 9.549 -2.779) 9.961 12.156 ( -0.843 -3.475 0.825) 3.670 12.190 ( 1.306 -4.685 -0.637) 4.905 12.474 ( 2.796 -9.463 1.185) 9.938 12.584 ( 0.626 -7.889 -3.780) 8.771 12.745 ( -2.144 -15.841 5.271) 16.832 12.827 ( -2.318 -8.078 4.002) 9.308 12.881 ( 0.115 -16.284 -0.901) 16.309 12.995 ( 0.183 -4.842 -2.795) 5.594 13.083 ( 3.947 -5.656 1.473) 7.053 13.122 ( -3.066 -6.223 -0.607) 6.964 13.192 ( -1.408 -4.106 3.568) 5.618 13.493 ( 1.807 -11.344 -8.402) 14.232 13.685 ( 0.017 -20.493 0.408) 20.497 13.722 ( -0.069 -19.189 -1.354) 19.237 13.947 ( -1.203 -22.794 2.347) 22.946 14.030 ( 0.942 -22.351 -1.443) 22.418 14.295 ( 1.125 -12.555 1.885) 12.746 14.332 ( -0.880 -10.392 0.434) 10.438 14.418 ( -0.465 -12.062 -0.770) 12.096 14.428 ( 0.791 -14.249 -0.666) 14.286 14.495 ( -0.906 -14.602 0.507) 14.639 14.540 ( 0.802 -11.704 -1.549) 11.834 16.701 ( -0.156 26.611 5.043) 27.086 17.016 ( 0.936 23.688 -9.538) 25.553 17.636 ( -0.359 12.952 2.150) 13.134 17.732 ( -0.147 13.962 -1.966) 14.100 19.248 ( -0.778 30.136 1.222) 30.171 19.309 ( 0.823 28.389 -1.436) 28.437 20.043 ( -1.158 0.263 0.470) 1.277 20.060 ( 1.134 -0.807 -0.227) 1.410 21.079 ( -0.459 -6.321 1.075) 6.428 21.138 ( 0.929 -7.283 -1.716) 7.540 21.675 ( -1.689 -12.366 3.095) 12.859 21.769 ( 0.848 -14.165 -1.329) 14.253 22.389 ( -1.637 7.410 -0.262) 7.593 22.402 ( 1.523 6.279 -0.785) 6.509 22.753 ( -0.170 4.975 2.719) 5.672 22.850 ( 0.220 4.253 -1.669) 4.574 27.362 ( 0.054 8.329 -0.234) 8.332 27.391 ( -0.792 8.170 -1.004) 8.269 27.535 ( 0.504 8.285 5.277) 9.836 27.715 ( -0.008 7.942 -3.380) 8.631 28.192 ( 0.096 13.552 0.223) 13.554 28.215 ( -0.554 14.627 -0.729) 14.656 28.376 ( 1.249 10.836 1.772) 11.051 28.418 ( -0.665 8.032 -0.077) 8.060 28.924 ( -0.237 6.339 1.834) 6.603 29.038 ( 1.094 6.820 -3.683) 7.828 29.185 ( -3.252 8.223 4.675) 10.002 29.373 ( 1.762 2.058 1.487) 3.091 29.399 ( -0.657 -3.071 -0.658) 3.209 29.410 ( -0.214 -4.834 0.265) 4.846 29.457 ( 2.487 -0.867 -4.092) 4.866 29.558 ( 0.502 -3.051 -2.667) 4.084 29.854 ( -1.046 5.177 1.070) 5.389 29.904 ( -0.014 7.888 -1.047) 7.957 30.054 ( -0.742 7.128 2.113) 7.472 30.240 ( 4.339 3.246 -8.179) 9.811 30.535 ( -6.488 -8.860 4.362) 11.816 30.630 ( 2.228 -7.619 -1.027) 8.004 30.665 ( 0.104 -5.768 3.715) 6.861 30.789 ( 1.636 -8.729 -0.590) 8.901 30.806 ( -2.724 -9.072 -1.672) 9.619 30.844 ( -0.228 -6.299 -1.565) 6.494 31.085 ( 2.523 -8.978 2.408) 9.631 31.156 ( -2.614 -13.628 -0.760) 13.897 31.902 ( 0.617 -5.837 0.292) 5.877 31.933 ( 0.939 -5.742 -1.777) 6.084 32.188 ( 0.614 -12.513 13.584) 18.479 32.627 ( -0.593 -25.463 -7.243) 26.480 ======================= Grid point 68 (32/60) ======================= q-point: ( 0.25 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 4.072 4.664 1.066) 6.283 1.552 ( 6.749 9.316 1.097) 11.556 1.589 ( -4.763 14.263 5.143) 15.893 1.732 ( 4.442 8.918 -4.393) 10.888 1.843 ( -0.251 7.640 -0.601) 7.667 1.860 ( -2.297 8.979 -6.967) 11.595 2.032 ( -0.732 0.985 2.537) 2.819 2.045 ( -1.551 5.679 -2.296) 6.319 2.093 ( -1.655 7.009 -7.710) 10.550 2.155 ( -0.961 2.267 -2.171) 3.283 2.255 ( 1.675 4.946 -4.373) 6.811 2.294 ( -1.012 2.510 0.049) 2.707 2.349 ( 0.982 4.393 -0.285) 4.510 2.425 ( 2.966 4.637 2.206) 5.930 2.485 ( -0.182 6.772 1.492) 6.937 2.524 ( -1.524 4.353 2.626) 5.307 2.592 ( -1.994 4.551 1.887) 5.315 2.664 ( -2.767 3.504 2.166) 4.962 2.755 ( -0.019 6.820 0.944) 6.885 2.873 ( 2.248 -1.574 -4.611) 5.366 2.919 ( -0.659 -0.280 5.044) 5.095 2.940 ( 6.572 3.864 2.384) 7.987 3.041 ( 1.156 3.228 0.864) 3.536 3.077 ( 1.153 -1.793 0.954) 2.335 3.134 ( 1.070 -7.419 2.475) 7.893 3.202 ( 1.191 5.032 -1.022) 5.271 3.317 ( 1.106 -2.007 -3.824) 4.458 3.481 ( 6.478 -0.940 -3.096) 7.241 3.565 ( -1.989 0.556 6.634) 6.948 3.583 ( -3.350 1.233 -1.407) 3.837 3.656 ( -1.426 2.007 -0.155) 2.467 3.910 ( -4.098 -1.339 3.589) 5.610 3.939 ( -0.105 2.101 -0.903) 2.289 4.062 ( -0.996 1.994 -3.521) 4.168 4.240 ( 1.208 7.062 2.635) 7.634 4.246 ( 6.058 -0.200 1.693) 6.294 4.319 ( 4.461 3.606 0.285) 5.743 4.397 ( 1.166 0.996 -1.374) 2.059 4.430 ( -0.257 1.227 -2.730) 3.005 4.549 ( 3.629 8.314 -2.847) 9.508 4.704 ( 0.012 15.803 0.886) 15.827 4.804 ( -0.726 5.566 1.323) 5.767 4.894 ( -2.208 14.094 -2.691) 14.518 4.969 ( 0.747 13.188 3.941) 13.784 5.122 ( -8.396 0.540 -0.773) 8.449 5.222 ( -6.735 2.627 2.763) 7.739 5.308 ( -5.593 0.323 1.774) 5.877 5.470 ( 4.521 -3.202 -3.976) 6.819 5.694 ( 6.688 1.121 0.107) 6.782 5.753 ( 7.342 5.390 1.025) 9.166 5.911 ( -1.510 0.984 -6.403) 6.652 5.931 ( -0.583 0.997 1.420) 1.831 6.303 ( -4.438 0.685 0.608) 4.532 6.474 ( -8.528 5.515 1.603) 10.282 6.718 ( 9.198 7.513 -6.587) 13.581 6.801 ( -3.419 15.830 2.451) 16.379 7.004 ( -5.571 14.972 1.768) 16.072 7.059 ( -0.761 13.263 -1.562) 13.377 7.282 ( -0.841 15.376 2.468) 15.595 7.425 ( 1.142 9.199 -3.115) 9.779 7.696 ( 4.826 13.846 0.628) 14.676 7.838 ( -0.134 7.744 1.217) 7.840 7.989 ( -0.764 -1.217 4.008) 4.258 8.131 ( 0.787 1.207 3.571) 3.851 8.238 ( -1.495 -2.311 4.145) 4.976 8.346 ( -0.118 -0.921 -6.797) 6.860 8.484 ( 1.043 -0.559 -3.046) 3.268 8.527 ( -5.640 2.830 0.635) 6.342 8.752 ( -1.598 1.647 4.154) 4.746 8.894 ( 6.802 5.160 -2.279) 8.837 8.985 ( 0.169 3.980 3.455) 5.273 9.118 ( 4.427 4.460 -3.892) 7.392 9.490 ( -0.267 8.279 1.267) 8.379 9.608 ( -5.806 9.756 -0.512) 11.364 9.896 ( 0.636 7.642 3.683) 8.507 10.022 ( 0.880 14.766 -0.606) 14.805 10.232 ( -3.435 6.386 -1.700) 7.448 10.259 ( -1.825 -0.735 1.031) 2.221 10.437 ( -1.539 7.429 -0.962) 7.647 10.510 ( 0.772 2.623 -0.379) 2.760 10.933 ( -0.707 1.660 -1.658) 2.450 11.169 ( -5.584 2.433 2.586) 6.617 11.317 ( 12.419 0.247 -6.181) 13.874 11.423 ( 3.312 2.435 4.463) 6.068 11.728 ( 0.377 12.802 -1.011) 12.847 11.784 ( -1.125 10.300 -1.143) 10.424 12.132 ( -0.550 -3.393 -0.823) 3.534 12.218 ( 0.656 -4.236 1.127) 4.432 12.469 ( -3.603 -11.097 1.313) 11.741 12.569 ( -4.074 -8.129 -1.135) 9.163 12.703 ( 0.893 -19.493 2.271) 19.645 12.819 ( 1.620 -7.784 2.485) 8.331 12.886 ( -0.974 -13.585 0.066) 13.620 13.005 ( 1.126 -4.206 -0.727) 4.414 13.090 ( 1.772 -5.276 -1.376) 5.733 13.121 ( -2.920 -7.080 4.083) 8.679 13.208 ( 3.830 -4.298 -1.705) 6.004 13.446 ( -4.577 -8.842 -5.760) 11.502 13.695 ( 0.745 -21.084 0.375) 21.101 13.736 ( 0.918 -20.278 -1.213) 20.335 13.946 ( 0.852 -22.266 1.418) 22.328 14.046 ( 0.470 -21.728 -0.883) 21.751 14.306 ( -0.574 -13.238 2.095) 13.415 14.324 ( 0.155 -9.622 -0.480) 9.635 14.392 ( -0.821 -17.037 -0.638) 17.068 14.421 ( -1.380 -8.259 0.112) 8.375 14.514 ( 1.896 -14.712 0.180) 14.835 14.571 ( 1.802 -13.822 -1.301) 13.999 16.696 ( -0.815 26.869 4.820) 27.310 16.985 ( -2.061 25.152 -8.333) 26.576 17.676 ( 3.276 11.250 2.321) 11.945 17.793 ( 5.086 11.385 -2.663) 12.750 19.147 ( -6.883 29.777 0.767) 30.572 19.208 ( -7.783 28.597 -0.806) 29.648 20.144 ( 8.142 0.617 -0.899) 8.215 20.175 ( 7.467 0.453 0.869) 7.531 21.096 ( 2.488 -4.763 0.133) 5.375 21.167 ( 1.448 -7.327 0.028) 7.469 21.612 ( -3.809 -11.342 1.343) 12.039 21.720 ( -5.466 -13.118 -0.491) 14.219 22.336 ( -2.162 7.087 -0.868) 7.460 22.389 ( -2.302 5.331 0.364) 5.818 22.755 ( -0.086 5.145 2.552) 5.743 22.851 ( 0.016 4.482 -1.653) 4.777 27.362 ( 0.169 8.731 -0.437) 8.744 27.380 ( -0.281 8.379 -0.620) 8.407 27.536 ( -0.952 8.249 5.310) 9.856 27.712 ( 0.142 7.900 -3.538) 8.657 28.209 ( 1.125 13.363 -0.104) 13.410 28.232 ( 2.516 14.053 0.059) 14.277 28.374 ( -2.903 10.540 -0.600) 10.949 28.379 ( -1.587 10.910 1.626) 11.144 28.960 ( 3.138 6.304 1.101) 7.127 29.073 ( 2.418 4.820 -3.552) 6.458 29.121 ( -2.675 9.470 2.949) 10.273 29.340 ( -3.581 -0.235 0.659) 3.649 29.379 ( -2.447 -4.335 0.064) 4.978 29.420 ( -0.254 -2.099 0.541) 2.182 29.455 ( -0.509 1.584 -1.530) 2.260 29.549 ( -0.850 -1.910 -1.505) 2.576 29.857 ( 1.357 4.713 -0.141) 4.907 29.889 ( -0.985 8.138 -0.894) 8.246 30.057 ( 0.711 6.218 1.249) 6.382 30.225 ( -4.531 2.689 -5.019) 7.277 30.493 ( 2.811 -7.182 0.328) 7.719 30.657 ( 0.355 -8.782 -1.060) 8.853 30.719 ( 1.360 -4.453 2.784) 5.425 30.770 ( 2.009 -9.003 0.067) 9.225 30.837 ( -0.105 -5.610 -1.806) 5.894 30.920 ( 8.983 -12.263 2.367) 15.384 31.078 ( -4.823 -12.186 -2.361) 13.316 31.127 ( 0.959 -11.797 3.795) 12.429 31.909 ( -0.346 -5.834 -1.205) 5.967 31.951 ( 1.157 -6.650 -1.814) 6.989 32.230 ( 0.951 -14.349 12.999) 19.385 32.592 ( -1.315 -23.666 -7.489) 24.858 ======================= Grid point 69 (33/60) ======================= q-point: (-0.50 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -8.254 11.237 4.131) 14.542 1.518 ( -2.090 9.408 0.841) 9.674 1.628 ( -5.640 10.717 4.714) 12.996 1.782 ( 2.906 11.000 -1.399) 11.463 1.843 ( 4.557 5.977 -4.997) 9.025 1.884 ( 1.082 4.993 0.915) 5.190 1.957 ( -3.520 1.314 3.061) 4.847 2.024 ( 0.815 8.446 -9.642) 12.844 2.093 ( 3.188 4.168 -5.035) 7.272 2.216 ( 6.149 3.144 -6.782) 9.679 2.300 ( 0.302 6.518 3.687) 7.495 2.308 ( 0.921 2.177 -3.173) 3.956 2.372 ( -1.750 4.555 -5.690) 7.495 2.445 ( 2.551 4.045 4.895) 6.843 2.492 ( -3.424 3.947 -3.336) 6.199 2.507 ( 0.398 0.263 2.109) 2.163 2.602 ( 6.148 5.829 0.493) 8.486 2.646 ( 0.407 2.824 4.481) 5.312 2.754 ( -1.204 6.483 -0.659) 6.627 2.819 ( -4.181 1.928 -4.874) 6.705 2.901 ( -0.933 4.057 7.604) 8.669 3.039 ( -0.553 0.457 2.332) 2.440 3.094 ( -1.638 0.359 4.695) 4.986 3.104 ( 3.175 1.551 0.098) 3.535 3.176 ( 0.199 2.236 -2.598) 3.434 3.264 ( 7.541 -2.963 1.203) 8.191 3.288 ( -2.303 -0.465 1.311) 2.691 3.467 ( -4.880 0.931 -7.389) 8.903 3.503 ( -4.824 2.152 10.633) 11.873 3.614 ( 4.445 3.564 -1.523) 5.898 3.676 ( 1.684 -0.110 0.308) 1.715 3.830 ( -2.068 -2.616 3.882) 5.118 3.886 ( -2.266 3.260 -5.943) 7.147 4.054 ( 0.281 -1.319 -5.142) 5.316 4.242 ( -1.129 9.633 4.669) 10.764 4.313 ( -3.962 0.855 -1.314) 4.261 4.409 ( -1.262 -0.891 -0.751) 1.718 4.429 ( 3.451 3.073 -0.932) 4.714 4.449 ( 4.571 2.511 4.495) 6.885 4.556 ( -0.871 7.375 -2.886) 7.968 4.722 ( -2.080 8.342 -1.867) 8.798 4.765 ( 1.190 8.082 -2.835) 8.647 4.905 ( -3.116 15.085 4.142) 15.951 4.975 ( 3.613 2.836 4.423) 6.377 5.015 ( 0.668 7.198 -0.959) 7.292 5.129 ( -2.236 5.833 1.874) 6.522 5.254 ( 1.131 -0.683 2.145) 2.519 5.479 ( -2.083 -5.520 -6.682) 8.915 5.769 ( -0.560 4.300 0.668) 4.387 5.837 ( -2.207 3.256 3.066) 4.987 5.882 ( 1.882 -1.276 -3.880) 4.497 5.982 ( 3.466 3.359 -4.023) 6.284 6.301 ( 4.934 2.685 -0.337) 5.627 6.360 ( -0.074 -0.361 -2.570) 2.597 6.643 ( -10.246 12.776 7.828) 18.152 6.858 ( 1.321 16.612 -3.197) 16.968 6.937 ( 0.926 16.007 2.400) 16.212 7.061 ( 1.798 14.321 -3.719) 14.905 7.307 ( 2.078 12.243 1.321) 12.488 7.439 ( 1.163 13.547 -5.430) 14.641 7.728 ( -2.939 12.762 3.534) 13.564 7.824 ( 1.108 5.540 -0.310) 5.658 8.005 ( 0.959 -0.831 4.379) 4.559 8.153 ( -3.175 -0.465 0.728) 3.290 8.221 ( 2.222 0.012 5.502) 5.934 8.333 ( -1.278 0.061 -4.355) 4.539 8.437 ( -0.679 -1.855 -0.176) 1.983 8.533 ( 2.424 -2.357 -1.971) 3.914 8.761 ( 1.629 2.246 3.084) 4.148 8.926 ( -4.360 5.180 0.762) 6.813 8.967 ( -0.699 6.580 1.682) 6.828 9.191 ( 2.838 9.094 -3.918) 10.300 9.498 ( -0.943 8.454 0.594) 8.528 9.540 ( 0.736 8.165 -1.149) 8.278 9.926 ( 1.234 6.623 5.185) 8.501 10.059 ( -4.973 14.048 0.607) 14.914 10.082 ( 1.512 9.520 0.613) 9.659 10.260 ( 1.311 1.969 -7.787) 8.138 10.463 ( 2.466 3.439 2.200) 4.769 10.512 ( -1.172 -0.467 -0.306) 1.298 10.965 ( 3.122 1.627 2.425) 4.275 11.066 ( -3.905 2.349 -1.752) 4.882 11.381 ( -5.010 5.338 2.533) 7.747 11.573 ( 10.987 2.568 -6.822) 13.185 11.724 ( -5.080 9.689 1.583) 11.054 11.764 ( 0.722 11.548 -0.610) 11.587 12.129 ( -0.632 -3.902 1.950) 4.408 12.201 ( -0.768 -7.588 -1.391) 7.752 12.391 ( -3.046 -6.743 3.996) 8.409 12.548 ( 3.435 -11.389 -3.272) 12.338 12.732 ( 0.597 -18.996 3.000) 19.240 12.828 ( -0.882 -17.460 -1.417) 17.539 12.878 ( 0.126 -6.163 3.737) 7.209 13.031 ( 0.295 -2.934 -2.643) 3.960 13.056 ( -2.537 -6.199 3.007) 7.342 13.144 ( 2.562 -3.764 1.336) 4.745 13.290 ( 4.319 -8.048 -3.949) 9.951 13.339 ( -4.458 -5.739 -3.429) 8.035 13.705 ( -0.002 -21.799 0.546) 21.806 13.742 ( -0.016 -20.719 -1.047) 20.745 13.973 ( 1.188 -20.326 1.194) 20.396 14.041 ( -0.762 -22.237 -1.515) 22.302 14.284 ( -1.378 -12.937 1.739) 13.126 14.340 ( 1.533 -12.187 -0.969) 12.321 14.383 ( -0.378 -11.707 0.767) 11.738 14.400 ( -0.484 -11.657 -0.092) 11.667 14.538 ( 0.246 -12.044 0.676) 12.065 14.590 ( -0.143 -16.763 -1.597) 16.839 16.687 ( -0.468 27.820 4.582) 28.199 16.952 ( 0.260 25.679 -7.330) 26.706 17.723 ( 0.052 8.240 2.659) 8.659 17.856 ( 0.359 9.648 -3.272) 10.194 19.065 ( -0.006 30.232 1.047) 30.250 19.114 ( 0.054 29.752 -1.118) 29.773 20.226 ( -1.136 0.407 1.051) 1.600 20.280 ( 1.200 0.875 -1.400) 2.041 21.142 ( -1.290 -5.591 1.596) 5.956 21.176 ( 0.421 -3.768 -0.075) 3.792 21.575 ( 0.678 -11.213 1.060) 11.284 21.636 ( 0.573 -12.155 -1.660) 12.281 22.316 ( -0.327 4.089 0.917) 4.203 22.356 ( 0.201 6.388 -0.840) 6.446 22.755 ( -0.191 5.372 2.533) 5.942 22.849 ( 0.061 4.586 -1.690) 4.888 27.363 ( -0.259 8.341 -0.149) 8.346 27.386 ( 1.225 8.938 -1.479) 9.142 27.519 ( -1.224 8.570 5.901) 10.477 27.713 ( 0.400 7.714 -3.504) 8.482 28.236 ( 1.062 12.459 1.027) 12.546 28.285 ( -0.058 12.463 -1.214) 12.522 28.313 ( -0.681 13.376 1.083) 13.437 28.345 ( -0.665 12.233 -0.259) 12.254 29.013 ( 0.450 4.824 0.918) 4.931 29.062 ( -1.564 7.443 -1.385) 7.731 29.150 ( 3.521 5.970 0.932) 6.993 29.266 ( -1.109 3.903 -3.644) 5.454 29.345 ( -1.056 -1.394 4.379) 4.715 29.410 ( -0.121 -3.306 0.202) 3.315 29.446 ( -0.573 -0.492 -0.395) 0.853 29.534 ( -0.305 -0.575 -1.149) 1.321 29.876 ( -0.031 8.154 -0.863) 8.199 29.882 ( 0.643 3.627 -1.141) 3.856 30.070 ( 0.187 5.679 1.140) 5.796 30.157 ( -0.966 2.312 -2.398) 3.468 30.549 ( 2.024 -7.598 -1.239) 7.959 30.631 ( -2.005 -8.273 -2.903) 8.994 30.729 ( 0.743 -4.626 2.735) 5.425 30.828 ( -0.308 -5.481 -1.910) 5.812 30.872 ( 5.156 -10.703 3.023) 12.259 30.962 ( -6.308 -11.814 -2.914) 13.706 31.091 ( 6.461 -15.107 3.513) 16.802 31.115 ( -2.918 -13.290 3.124) 13.960 31.895 ( -0.412 -4.741 -1.299) 4.933 31.953 ( -1.023 -7.004 -2.790) 7.608 32.234 ( -2.023 -13.484 10.585) 17.261 32.584 ( 1.538 -22.811 -6.127) 23.670 ======================= Grid point 70 (34/60) ======================= q-point: (-0.25 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -3.648 14.510 -0.408) 14.967 1.480 ( -3.442 13.591 5.088) 14.914 1.562 ( 4.513 8.757 0.403) 9.860 1.690 ( -8.630 1.770 -3.186) 9.368 1.868 ( 0.741 5.511 -2.961) 6.300 1.966 ( 5.059 5.086 -7.690) 10.517 2.003 ( 4.025 6.521 1.686) 7.846 2.106 ( -0.573 8.247 -7.135) 10.920 2.116 ( -2.715 5.652 0.809) 6.323 2.198 ( 2.167 4.815 1.359) 5.452 2.261 ( -4.167 4.785 -3.564) 7.277 2.330 ( -0.964 4.956 1.985) 5.426 2.362 ( 2.656 0.354 -4.117) 4.912 2.410 ( 1.399 2.779 -2.756) 4.156 2.535 ( -1.581 2.491 4.557) 5.428 2.590 ( 4.967 2.228 7.607) 9.354 2.652 ( 0.421 4.691 -2.186) 5.192 2.668 ( -2.681 5.557 3.170) 6.937 2.698 ( 0.498 2.457 4.999) 5.592 2.765 ( -0.994 2.789 -6.932) 7.538 2.934 ( 2.894 4.860 2.276) 6.097 2.959 ( -6.016 2.079 1.504) 6.540 3.047 ( -0.138 -1.756 0.256) 1.780 3.119 ( -3.248 0.840 3.392) 4.770 3.183 ( 0.063 0.700 -3.884) 3.947 3.198 ( -5.712 1.858 4.176) 7.316 3.320 ( -1.328 -4.701 -3.396) 5.950 3.372 ( -5.351 1.094 -0.394) 5.476 3.499 ( 5.587 3.729 1.103) 6.807 3.638 ( -1.367 4.934 -2.260) 5.596 3.726 ( 1.948 1.147 5.938) 6.354 3.847 ( 0.545 -1.629 -2.680) 3.183 3.894 ( 5.382 -1.482 1.522) 5.787 4.057 ( -0.716 -2.038 -2.651) 3.420 4.160 ( -4.225 3.245 2.558) 5.910 4.275 ( -0.851 5.820 1.503) 6.071 4.370 ( -1.523 0.041 -0.268) 1.547 4.409 ( -3.728 4.269 -5.573) 7.948 4.459 ( -1.401 6.380 0.604) 6.559 4.549 ( -0.682 2.922 -1.647) 3.423 4.668 ( -4.960 9.145 2.702) 10.748 4.792 ( 4.224 11.398 1.920) 12.306 4.879 ( -0.611 13.736 -0.958) 13.783 5.015 ( 0.951 13.968 0.469) 14.008 5.086 ( 7.580 1.885 -0.512) 7.828 5.243 ( 4.316 -0.929 4.023) 5.973 5.316 ( 7.199 3.623 0.356) 8.067 5.418 ( -2.693 -3.022 -4.502) 6.054 5.696 ( -6.219 4.255 -0.112) 7.536 5.752 ( -3.818 1.385 0.968) 4.175 5.860 ( -3.746 2.007 -1.936) 4.669 6.042 ( 1.306 0.983 -2.637) 3.102 6.369 ( 3.906 0.858 0.666) 4.054 6.444 ( -0.002 2.658 3.259) 4.206 6.607 ( 10.919 11.919 -5.273) 17.003 6.846 ( -2.943 18.206 0.069) 18.443 6.965 ( 2.414 11.214 0.492) 11.482 7.096 ( 0.289 12.983 -0.932) 13.019 7.316 ( -1.846 9.900 3.812) 10.768 7.432 ( -0.652 16.950 -4.630) 17.583 7.681 ( -2.526 10.915 1.704) 11.332 7.787 ( -3.300 5.820 0.539) 6.712 8.034 ( 0.880 -2.006 5.665) 6.074 8.152 ( 3.515 0.422 0.928) 3.660 8.264 ( 0.643 1.078 5.685) 5.822 8.371 ( 6.066 1.643 -6.830) 9.281 8.444 ( 0.122 -4.806 -1.938) 5.184 8.499 ( -4.549 5.619 -0.636) 7.257 8.806 ( 2.528 1.770 2.493) 3.968 8.855 ( -2.433 4.561 3.694) 6.354 8.916 ( -3.835 2.401 -3.145) 5.510 9.175 ( -4.878 6.777 -1.957) 8.577 9.512 ( -0.181 6.951 2.777) 7.487 9.557 ( 5.019 8.562 -1.930) 10.111 9.944 ( -0.676 8.859 5.576) 10.490 10.039 ( 0.830 14.999 -1.618) 15.109 10.121 ( 4.030 4.962 -2.156) 6.746 10.331 ( 3.913 5.324 0.946) 6.675 10.430 ( -4.129 -0.465 -1.418) 4.391 10.527 ( 1.977 5.004 -0.314) 5.390 11.000 ( 0.605 1.619 -4.806) 5.108 11.069 ( 3.403 0.697 5.025) 6.108 11.259 ( -6.182 4.239 -2.598) 7.933 11.544 ( -10.887 2.170 2.282) 11.333 11.720 ( 2.275 12.594 -1.811) 12.926 11.779 ( 2.607 8.525 -1.187) 8.993 12.139 ( 1.461 -5.390 -1.476) 5.776 12.193 ( -0.663 -3.105 1.784) 3.642 12.391 ( 3.132 -7.439 1.372) 8.188 12.608 ( 0.012 -10.836 -1.025) 10.884 12.739 ( 0.798 -18.013 2.104) 18.153 12.844 ( 0.281 -12.262 3.341) 12.713 12.876 ( 1.454 -12.588 -0.123) 12.672 12.994 ( -1.356 -4.043 -0.973) 4.374 13.043 ( -0.273 -4.328 -0.899) 4.429 13.176 ( -0.220 -4.579 4.481) 6.410 13.235 ( -4.212 -5.425 -1.279) 6.987 13.407 ( 6.371 -9.737 -7.226) 13.698 13.695 ( -0.849 -21.549 0.388) 21.569 13.736 ( -0.557 -19.556 -1.311) 19.608 13.976 ( -1.293 -20.719 2.308) 20.887 14.024 ( -0.291 -23.022 -1.884) 23.100 14.274 ( 0.396 -13.566 1.276) 13.631 14.350 ( -0.782 -10.330 0.426) 10.368 14.389 ( 1.249 -14.791 -0.588) 14.855 14.415 ( 1.716 -8.633 -0.025) 8.802 14.525 ( -1.541 -13.476 0.618) 13.578 14.561 ( -2.004 -15.421 -1.667) 15.640 16.692 ( 0.250 27.602 4.748) 28.009 16.979 ( 2.937 24.478 -8.178) 25.974 17.681 ( -3.566 10.201 2.455) 11.082 17.798 ( -4.629 12.076 -2.875) 13.249 19.156 ( 7.392 29.538 1.034) 30.467 19.200 ( 7.221 28.866 -1.069) 29.775 20.131 ( -6.686 0.514 -0.465) 6.722 20.188 ( -8.965 0.615 0.432) 8.997 21.096 ( -1.524 -6.328 0.120) 6.510 21.152 ( -2.088 -5.343 0.087) 5.737 21.642 ( 4.241 -11.957 1.550) 12.781 21.715 ( 4.435 -13.441 -0.762) 14.174 22.339 ( 3.100 5.857 -1.018) 6.705 22.386 ( 1.734 6.519 0.499) 6.764 22.754 ( -0.199 5.285 2.609) 5.897 22.849 ( 0.121 4.356 -1.699) 4.677 27.360 ( 0.082 8.305 -0.410) 8.316 27.404 ( 0.162 8.135 -1.628) 8.298 27.514 ( 0.284 8.891 6.057) 10.762 27.717 ( 0.317 7.720 -3.302) 8.403 28.219 ( -2.636 12.965 -0.221) 13.232 28.237 ( -1.357 14.118 0.119) 14.183 28.342 ( 1.679 12.672 0.470) 12.792 28.389 ( 3.141 9.087 0.612) 9.634 28.967 ( -3.628 4.968 1.568) 6.348 29.038 ( -0.580 7.489 -2.644) 7.963 29.209 ( 0.956 6.827 4.211) 8.078 29.311 ( 3.616 3.863 -2.393) 5.808 29.361 ( 3.731 1.134 -1.363) 4.131 29.414 ( -0.100 -4.787 1.116) 4.917 29.432 ( -0.696 -3.369 -0.077) 3.442 29.539 ( 1.103 -1.148 -1.920) 2.494 29.870 ( -0.546 4.974 0.231) 5.010 29.895 ( 0.847 7.238 -1.034) 7.361 30.067 ( -0.564 6.422 1.903) 6.721 30.171 ( 2.478 2.703 -4.360) 5.697 30.572 ( 0.536 -8.295 0.638) 8.337 30.602 ( -0.066 -7.418 -2.549) 7.844 30.731 ( -2.128 -6.542 3.073) 7.534 30.824 ( -0.280 -6.136 -2.272) 6.549 30.836 ( -4.667 -9.501 -2.023) 10.777 30.916 ( -3.900 -14.373 4.543) 15.570 31.044 ( -0.565 -7.671 -0.749) 7.729 31.173 ( 1.241 -15.425 1.867) 15.587 31.897 ( 0.367 -5.412 0.174) 5.427 31.923 ( -0.642 -5.181 -2.220) 5.673 32.194 ( -2.512 -11.707 10.814) 16.134 32.620 ( 2.034 -24.692 -5.992) 25.490 ======================= Grid point 71 (35/60) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 2.099 8.026 -1.779) 8.485 1.614 ( 2.690 8.799 -2.698) 9.588 1.792 ( 2.132 10.846 0.788) 11.081 1.916 ( -4.061 3.995 -1.131) 5.808 2.019 ( 9.830 13.808 -1.705) 17.035 2.067 ( -1.280 0.845 -0.142) 1.541 2.111 ( -1.942 4.357 -1.981) 5.165 2.135 ( -3.386 6.105 -2.196) 7.318 2.200 ( -2.129 0.478 -0.647) 2.276 2.256 ( -0.476 7.650 -0.063) 7.665 2.282 ( 2.708 -2.278 -1.860) 3.997 2.353 ( -1.243 1.102 3.030) 3.455 2.427 ( -1.343 1.855 2.615) 3.476 2.460 ( -4.398 1.332 -1.350) 4.789 2.533 ( 2.441 1.655 -3.122) 4.295 2.642 ( 1.417 1.559 8.415) 8.675 2.701 ( -3.351 4.676 -6.038) 8.340 2.785 ( -2.920 -0.228 1.985) 3.538 2.805 ( 1.041 1.591 2.302) 2.986 2.846 ( 4.186 6.420 3.256) 8.327 2.888 ( 2.054 5.430 3.056) 6.561 3.003 ( 2.688 -1.806 -1.163) 3.441 3.029 ( -5.831 -0.919 2.113) 6.270 3.048 ( 0.109 -0.323 -0.577) 0.670 3.095 ( -4.912 -2.809 0.200) 5.662 3.240 ( 2.761 0.654 -4.456) 5.283 3.266 ( 0.559 3.698 4.131) 5.573 3.363 ( 0.525 4.265 -3.787) 5.728 3.589 ( -5.985 -5.229 5.386) 9.601 3.634 ( 2.598 -1.258 3.660) 4.662 3.695 ( 0.202 -0.421 1.212) 1.299 3.827 ( 2.648 -4.697 -4.006) 6.717 3.937 ( 3.413 -2.995 1.458) 4.769 3.985 ( -1.104 3.634 -0.552) 3.838 4.174 ( 2.657 -1.828 3.974) 5.118 4.299 ( -1.965 3.017 -5.704) 6.746 4.363 ( -0.222 -2.710 -1.211) 2.977 4.453 ( 2.374 1.434 -4.256) 5.080 4.482 ( -4.848 2.670 -1.531) 5.743 4.547 ( 0.265 2.314 -0.391) 2.362 4.841 ( 4.318 7.091 6.253) 10.394 5.052 ( -2.585 7.775 -1.862) 8.403 5.121 ( 2.073 5.858 0.769) 6.262 5.174 ( -3.223 3.701 -4.073) 6.378 5.231 ( -3.588 1.397 0.867) 3.946 5.267 ( 7.093 -0.415 4.542) 8.433 5.340 ( -0.397 -2.512 -1.417) 2.911 5.523 ( 0.325 -1.041 -3.328) 3.502 5.640 ( -1.942 2.717 0.282) 3.352 5.713 ( -0.686 7.132 -2.805) 7.695 5.920 ( -0.374 -0.829 2.724) 2.872 6.070 ( -0.571 3.696 -4.143) 5.581 6.449 ( -1.017 7.149 1.312) 7.339 6.570 ( 8.455 -0.192 -5.349) 10.007 6.803 ( -12.159 3.267 6.530) 14.183 6.976 ( 6.335 1.874 -2.747) 7.155 7.311 ( 0.877 14.219 1.483) 14.324 7.357 ( -0.233 19.350 -0.865) 19.371 7.659 ( 0.740 20.124 1.954) 20.232 7.766 ( -3.143 20.274 -0.924) 20.537 7.914 ( 1.323 11.487 -1.355) 11.642 7.951 ( 2.835 12.031 0.142) 12.361 7.987 ( -1.354 0.254 9.730) 9.827 8.216 ( -2.662 -0.250 7.456) 7.921 8.298 ( -2.403 6.349 0.974) 6.858 8.324 ( 0.516 -0.877 -3.414) 3.562 8.553 ( -2.384 2.961 -3.169) 4.948 8.623 ( 3.212 -0.810 -2.792) 4.333 8.763 ( 6.936 -2.892 0.169) 7.516 8.845 ( -5.638 1.552 0.109) 5.848 8.951 ( 4.661 1.505 -0.333) 4.909 9.085 ( -4.279 -3.202 -6.280) 8.246 9.719 ( -1.036 13.485 2.822) 13.816 9.842 ( 3.882 9.937 -3.833) 11.336 10.070 ( -4.538 7.398 7.888) 11.728 10.240 ( 0.543 4.554 1.642) 4.871 10.276 ( 4.259 7.134 -2.728) 8.745 10.373 ( -3.181 4.792 -4.849) 7.523 10.574 ( 0.662 11.557 5.848) 12.969 10.756 ( -0.245 7.961 -3.155) 8.567 11.061 ( -0.621 1.822 -1.463) 2.418 11.127 ( 0.643 5.201 -3.374) 6.233 11.259 ( 1.114 -2.146 3.061) 3.900 11.355 ( -1.620 0.212 0.407) 1.683 11.925 ( -2.304 1.659 -0.664) 2.916 11.953 ( 2.940 3.551 -2.119) 5.074 12.020 ( -2.131 -8.276 0.091) 8.547 12.037 ( 4.010 -9.089 -1.088) 9.994 12.290 ( -1.288 -8.567 2.441) 9.001 12.323 ( -1.024 -14.160 1.797) 14.310 12.467 ( 0.343 -12.731 2.178) 12.921 12.538 ( -0.545 -17.368 -1.014) 17.406 12.808 ( 1.270 2.822 1.636) 3.501 12.908 ( -0.146 -4.987 -2.350) 5.515 12.973 ( -2.314 -3.960 2.117) 5.052 13.046 ( 3.151 -1.627 -1.582) 3.883 13.117 ( -2.824 -3.588 2.962) 5.443 13.253 ( 2.586 -12.558 -3.371) 13.257 13.293 ( -0.163 -17.889 0.762) 17.906 13.367 ( -1.186 -15.910 -1.437) 16.019 13.552 ( -1.499 -14.872 1.709) 15.045 13.658 ( 1.880 -13.295 -2.902) 13.737 13.969 ( 0.897 -17.309 2.261) 17.479 14.039 ( -1.607 -19.188 -0.965) 19.279 14.237 ( -0.284 -2.041 0.938) 2.264 14.297 ( 1.407 -3.857 -1.930) 4.537 14.348 ( -0.806 -4.982 0.921) 5.130 14.378 ( 0.260 -6.088 -0.751) 6.140 17.174 ( -0.505 21.689 4.722) 22.202 17.426 ( 0.936 18.356 -6.498) 19.495 17.797 ( -0.028 2.948 2.487) 3.858 17.911 ( -0.249 4.024 -2.469) 4.728 19.846 ( -0.783 30.714 0.712) 30.732 19.881 ( 0.862 29.800 -0.815) 29.824 20.155 ( -1.515 10.653 0.228) 10.762 20.161 ( 1.416 10.527 -0.013) 10.621 20.934 ( 0.381 -8.994 0.781) 9.035 20.976 ( -0.131 -9.740 -1.079) 9.800 21.374 ( -0.990 -18.532 1.739) 18.639 21.436 ( 0.607 -19.896 -1.049) 19.933 22.513 ( 0.331 5.616 -0.058) 5.626 22.523 ( -0.375 6.636 -0.527) 6.668 22.791 ( -0.150 -0.900 2.002) 2.201 22.869 ( 0.217 -2.049 -1.490) 2.543 27.514 ( 0.086 6.932 0.157) 6.934 27.544 ( -0.450 6.948 -0.734) 7.001 27.680 ( 0.173 6.400 3.888) 7.490 27.832 ( 0.093 3.730 -3.052) 4.821 28.397 ( 0.344 7.590 0.443) 7.611 28.429 ( -0.873 7.372 -1.098) 7.505 28.511 ( 0.771 3.840 1.125) 4.076 28.539 ( -0.135 3.778 -0.180) 3.785 29.041 ( 0.265 5.347 1.521) 5.566 29.137 ( 0.013 2.495 -3.301) 4.137 29.251 ( -0.545 -3.361 2.483) 4.214 29.291 ( -0.017 -5.899 -0.266) 5.905 29.390 ( -1.537 6.759 2.352) 7.320 29.438 ( 0.807 5.702 1.903) 6.065 29.534 ( 0.943 5.223 -2.837) 6.018 29.549 ( 0.459 2.201 -2.532) 3.386 29.970 ( -0.472 6.105 1.398) 6.281 30.057 ( 0.122 6.778 -2.549) 7.243 30.192 ( -0.606 6.355 1.773) 6.626 30.260 ( 2.823 -0.755 -1.814) 3.439 30.371 ( -3.310 -7.446 3.010) 8.687 30.467 ( 0.213 -8.783 -1.769) 8.962 30.537 ( 2.884 -7.986 1.904) 8.702 30.617 ( -2.273 -7.445 -1.802) 7.990 30.694 ( -0.011 -2.043 0.866) 2.219 30.739 ( 0.096 -4.360 -1.074) 4.491 30.917 ( -0.642 -9.573 0.736) 9.622 30.932 ( 0.359 -7.845 0.017) 7.854 31.819 ( 0.164 -2.459 0.274) 2.480 31.849 ( 0.487 -2.768 -1.486) 3.180 31.991 ( -0.066 -8.130 5.980) 10.093 32.211 ( -0.214 -17.345 -4.224) 17.853 ======================= Grid point 72 (36/60) ======================= q-point: ( 0.25 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 3.477 5.211 -1.127) 6.365 1.758 ( 9.264 10.722 3.527) 14.602 1.814 ( -2.518 9.820 -2.490) 10.439 1.863 ( 1.883 3.972 -4.239) 6.107 2.015 ( -2.130 4.680 0.317) 5.152 2.023 ( -2.810 9.025 1.621) 9.591 2.107 ( -4.195 2.210 5.336) 7.138 2.138 ( 1.733 9.633 -4.746) 10.878 2.232 ( 1.969 7.278 0.577) 7.562 2.237 ( -0.983 6.184 -5.971) 8.653 2.317 ( -1.554 -0.315 0.963) 1.855 2.328 ( 0.458 1.386 -2.412) 2.819 2.358 ( 1.631 0.760 -4.877) 5.199 2.506 ( 5.859 1.744 4.465) 7.570 2.588 ( 1.424 2.887 0.383) 3.242 2.602 ( -2.130 1.948 -3.021) 4.178 2.687 ( -3.013 0.466 2.068) 3.684 2.699 ( -1.904 1.965 3.421) 4.380 2.826 ( 0.080 3.087 -2.213) 3.799 2.920 ( -0.285 4.106 1.062) 4.251 2.936 ( -0.101 2.211 -0.661) 2.310 2.985 ( 6.615 0.076 3.923) 7.691 3.009 ( -1.373 -2.734 0.531) 3.105 3.081 ( 3.982 3.890 2.045) 5.931 3.102 ( 5.027 1.231 -0.718) 5.225 3.252 ( -2.919 -0.970 2.976) 4.280 3.305 ( 1.516 0.494 -1.284) 2.047 3.419 ( 4.082 -0.250 -1.983) 4.545 3.516 ( -1.519 -3.081 8.408) 9.083 3.630 ( -1.036 0.724 -1.245) 1.774 3.694 ( -1.293 0.991 2.253) 2.780 3.906 ( 3.099 -3.892 -2.063) 5.386 3.937 ( -2.332 3.861 2.354) 5.088 4.064 ( 6.021 -2.505 -2.258) 6.901 4.186 ( 1.302 -1.118 -2.306) 2.874 4.314 ( -2.525 -0.384 -2.364) 3.480 4.328 ( 0.483 -0.381 1.697) 1.805 4.404 ( 2.166 -1.874 0.532) 2.913 4.420 ( -3.490 -0.167 -2.736) 4.438 4.646 ( 4.200 2.982 -0.844) 5.220 4.891 ( -1.538 3.908 4.345) 6.043 4.918 ( -5.368 5.357 -3.861) 8.510 5.053 ( -5.940 2.166 -2.872) 6.944 5.116 ( -5.509 0.234 2.705) 6.142 5.165 ( -5.616 2.006 0.019) 5.964 5.242 ( -1.164 1.217 4.226) 4.549 5.323 ( -3.710 0.141 -0.452) 3.740 5.460 ( -0.391 0.986 -6.791) 6.873 5.700 ( 5.233 0.273 2.069) 5.634 5.836 ( 3.745 3.307 -2.809) 5.731 5.920 ( 3.394 -2.228 0.017) 4.060 6.038 ( -1.101 5.691 -3.130) 6.587 6.420 ( -0.682 12.100 0.160) 12.120 6.567 ( -7.929 7.631 3.139) 11.443 6.833 ( 12.886 3.746 -4.936) 14.298 7.069 ( 2.114 6.717 2.348) 7.423 7.306 ( -2.056 14.693 2.108) 14.985 7.372 ( 1.017 17.464 -0.540) 17.502 7.667 ( -0.132 21.599 1.734) 21.669 7.726 ( -0.473 20.822 -2.927) 21.032 7.926 ( 0.054 7.966 0.268) 7.971 7.952 ( -2.856 -0.909 8.348) 8.869 8.033 ( 1.503 11.130 2.589) 11.526 8.154 ( -1.157 0.354 6.031) 6.151 8.246 ( -0.687 6.306 -2.989) 7.012 8.295 ( -0.837 -3.093 -2.373) 3.987 8.477 ( -7.651 -4.680 -0.469) 8.981 8.543 ( -3.511 3.666 -3.118) 5.957 8.742 ( -4.174 -3.472 4.563) 7.092 8.966 ( 5.544 2.758 -6.557) 9.018 9.054 ( 5.775 0.473 1.006) 5.881 9.118 ( 7.175 -4.094 -4.210) 9.271 9.709 ( 0.246 13.729 0.701) 13.749 9.830 ( -5.225 12.296 -1.306) 13.423 10.001 ( -0.791 5.491 5.518) 7.825 10.273 ( 1.834 3.463 1.189) 4.095 10.318 ( -0.670 8.355 -3.103) 8.938 10.378 ( 3.632 12.242 -1.309) 12.837 10.575 ( -0.777 9.137 3.702) 9.889 10.671 ( -6.456 9.841 -2.511) 12.035 10.961 ( -2.619 2.168 -1.177) 3.597 11.190 ( -4.441 -1.351 0.992) 4.746 11.315 ( 12.615 0.047 -2.218) 12.809 11.468 ( 6.094 1.645 1.084) 6.405 11.860 ( -2.374 -1.219 -0.744) 2.770 11.954 ( -2.226 4.578 -0.912) 5.172 11.998 ( -0.165 -9.927 -1.702) 10.073 12.069 ( -4.067 -11.295 2.322) 12.228 12.241 ( 0.639 -11.381 -0.987) 11.442 12.346 ( -1.786 -14.322 2.704) 14.684 12.392 ( -1.419 -6.143 0.862) 6.364 12.552 ( -0.736 -14.898 0.026) 14.917 12.831 ( 0.583 2.104 2.539) 3.348 12.924 ( 2.421 -5.249 -3.016) 6.520 12.965 ( 0.763 -5.165 0.811) 5.284 13.038 ( -3.356 -3.447 1.969) 5.198 13.124 ( 3.010 -4.748 -0.584) 5.653 13.250 ( -3.001 -10.116 -0.854) 10.586 13.299 ( 0.990 -17.796 0.249) 17.826 13.368 ( 1.042 -15.569 -2.010) 15.732 13.562 ( 2.124 -14.351 0.142) 14.508 13.667 ( -0.610 -13.849 -1.005) 13.899 13.985 ( 0.332 -16.414 2.761) 16.648 14.050 ( 2.135 -17.178 -2.348) 17.468 14.234 ( 0.174 -2.623 0.754) 2.735 14.310 ( -1.870 -4.290 0.111) 4.681 14.328 ( 1.412 -5.322 -1.272) 5.651 14.371 ( -1.291 -7.542 0.169) 7.653 17.173 ( -0.118 21.821 4.266) 22.235 17.414 ( -1.053 18.988 -5.662) 19.842 17.810 ( 0.706 2.035 2.815) 3.545 17.933 ( 2.262 2.662 -3.090) 4.664 19.744 ( -5.938 30.942 0.486) 31.511 19.786 ( -6.224 30.143 -0.498) 30.783 20.254 ( 6.829 10.292 -0.089) 12.352 20.283 ( 7.205 9.862 0.147) 12.214 20.976 ( 3.593 -8.147 0.851) 8.945 21.006 ( 3.037 -9.501 -0.817) 10.008 21.327 ( -3.225 -17.787 0.743) 18.093 21.401 ( -3.980 -19.414 -0.420) 19.822 22.465 ( -3.493 6.568 0.443) 7.452 22.502 ( -1.652 6.507 -0.806) 6.761 22.792 ( -0.060 -1.108 1.918) 2.216 22.871 ( 0.124 -2.137 -1.467) 2.595 27.516 ( 0.066 6.913 0.222) 6.917 27.540 ( 0.182 7.359 -0.876) 7.413 27.678 ( -0.748 6.210 4.082) 7.469 27.830 ( 0.083 3.777 -3.146) 4.916 28.407 ( 0.156 7.171 -0.225) 7.176 28.434 ( 1.771 6.863 0.286) 7.094 28.518 ( -1.060 4.274 0.096) 4.405 28.523 ( -0.627 4.190 0.053) 4.237 29.068 ( 1.787 4.417 1.289) 4.936 29.139 ( 0.625 1.805 -3.048) 3.597 29.238 ( -0.797 -2.019 2.322) 3.178 29.281 ( -0.928 -4.752 -0.245) 4.848 29.357 ( -1.382 7.587 1.813) 7.922 29.446 ( -0.436 5.148 1.194) 5.303 29.525 ( -0.874 4.544 -1.752) 4.948 29.560 ( 0.430 3.021 -2.180) 3.750 29.967 ( 0.108 6.044 1.223) 6.168 30.047 ( -0.603 6.880 -2.025) 7.197 30.186 ( -0.024 6.454 0.751) 6.498 30.240 ( -4.008 -1.401 1.175) 4.405 30.366 ( 2.554 -5.151 -0.488) 5.770 30.471 ( 0.236 -9.698 -1.475) 9.813 30.596 ( 0.664 -8.884 -0.264) 8.913 30.630 ( 3.717 -7.701 1.506) 8.683 30.709 ( 1.313 -4.764 0.488) 4.965 30.737 ( 0.119 -4.199 -0.749) 4.267 30.882 ( -1.898 -8.213 0.187) 8.431 30.938 ( -0.204 -7.928 0.726) 7.964 31.823 ( 0.160 -2.601 -0.098) 2.608 31.857 ( 0.392 -3.016 -1.616) 3.444 32.009 ( 0.720 -8.891 5.914) 10.703 32.199 ( -0.146 -16.530 -4.145) 17.043 ======================= Grid point 73 (37/60) ======================= q-point: (-0.50 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 3.962 11.851 -0.595) 12.509 1.718 ( -6.742 10.046 -2.613) 12.378 1.853 ( -3.692 11.681 7.996) 14.629 1.913 ( -7.492 2.061 0.909) 7.824 1.957 ( -0.154 6.732 -0.242) 6.738 1.986 ( 7.509 5.785 1.406) 9.583 2.040 ( -1.809 6.766 0.330) 7.012 2.150 ( 1.561 6.198 -4.047) 7.565 2.220 ( 0.861 0.716 -3.861) 4.020 2.257 ( 2.592 5.955 -5.772) 8.689 2.322 ( 0.497 3.043 -2.590) 4.026 2.379 ( 1.567 0.080 -5.909) 6.114 2.436 ( 5.311 4.000 0.137) 6.650 2.538 ( -0.659 3.281 0.512) 3.386 2.553 ( -2.399 2.920 1.385) 4.025 2.598 ( -4.678 4.546 2.142) 6.865 2.666 ( 4.794 1.427 1.149) 5.132 2.698 ( 0.502 1.406 3.180) 3.513 2.850 ( 2.010 1.017 -5.321) 5.778 2.859 ( -4.342 1.362 -1.985) 4.965 2.939 ( 0.456 -1.024 3.459) 3.636 3.006 ( -1.060 -5.240 -1.140) 5.466 3.101 ( -2.380 4.711 5.419) 7.565 3.121 ( 1.383 5.063 3.629) 6.381 3.195 ( 1.763 -0.944 -0.987) 2.231 3.238 ( 3.485 0.192 2.964) 4.579 3.289 ( -1.659 0.109 2.071) 2.655 3.449 ( 0.671 -3.714 -4.199) 5.646 3.521 ( -0.667 0.999 8.281) 8.368 3.665 ( 2.619 3.212 1.148) 4.301 3.684 ( 1.192 1.098 5.081) 5.333 3.851 ( -2.345 4.707 -0.195) 5.262 3.898 ( -4.013 -1.266 -4.501) 6.161 4.072 ( -2.767 2.048 -8.639) 9.300 4.265 ( -7.289 -4.926 0.263) 8.801 4.293 ( 5.330 -2.481 -0.600) 5.909 4.352 ( -1.802 -0.542 1.773) 2.586 4.379 ( 7.681 -3.934 2.825) 9.080 4.479 ( 1.856 -3.570 2.790) 4.896 4.647 ( -2.101 2.164 -5.544) 6.311 4.829 ( -1.781 2.733 -0.559) 3.309 4.861 ( 0.206 1.218 -4.217) 4.394 4.995 ( -5.845 -0.188 2.970) 6.559 5.030 ( 5.244 1.453 0.656) 5.481 5.106 ( 0.322 0.716 3.939) 4.016 5.245 ( 0.151 -0.988 1.851) 2.103 5.286 ( 0.631 5.814 0.505) 5.870 5.434 ( -0.509 0.222 -9.446) 9.463 5.774 ( 0.607 -0.011 1.596) 1.707 5.885 ( 2.721 1.600 -3.322) 4.582 5.932 ( -1.828 1.062 2.152) 3.017 6.030 ( -0.643 -0.835 -2.270) 2.503 6.434 ( -2.253 11.092 0.282) 11.322 6.530 ( 7.749 19.524 -3.919) 21.368 6.878 ( -10.646 8.840 7.632) 15.802 7.139 ( 5.230 8.748 -5.565) 11.613 7.290 ( 0.246 16.782 3.161) 17.079 7.377 ( 0.499 17.266 -1.517) 17.339 7.662 ( -0.660 22.427 0.633) 22.446 7.745 ( 3.019 16.710 -4.563) 17.583 7.906 ( -2.247 4.631 6.317) 8.148 7.928 ( -0.158 4.464 3.691) 5.794 8.017 ( -1.734 5.414 6.917) 8.953 8.115 ( -1.905 -1.354 2.747) 3.607 8.278 ( 1.613 0.248 -0.574) 1.731 8.326 ( -0.248 0.201 2.042) 2.066 8.365 ( 0.120 -1.216 -6.280) 6.398 8.525 ( 3.498 1.882 -4.756) 6.197 8.699 ( -0.606 -6.818 4.983) 8.466 8.992 ( -0.658 1.612 -8.254) 8.435 9.069 ( -4.313 1.101 3.800) 5.853 9.266 ( 4.639 -2.224 -3.796) 6.393 9.720 ( -0.595 14.180 0.509) 14.202 9.738 ( -1.250 11.874 -0.206) 11.941 10.017 ( 1.197 4.804 6.290) 8.004 10.291 ( 0.313 1.891 -5.906) 6.209 10.316 ( -1.574 13.799 1.583) 13.979 10.403 ( 0.735 17.371 -2.108) 17.514 10.555 ( -1.482 6.166 2.129) 6.689 10.599 ( 1.346 10.059 -0.318) 10.153 10.981 ( 3.601 0.490 2.636) 4.489 11.103 ( -4.193 0.882 -2.630) 5.028 11.482 ( -2.067 2.395 0.662) 3.232 11.564 ( 6.978 -2.508 -3.706) 8.290 11.796 ( -5.185 -3.532 4.157) 7.526 11.917 ( -0.360 0.716 -2.318) 2.452 11.967 ( -2.309 -12.259 0.950) 12.511 12.026 ( 3.450 -10.300 -1.069) 10.914 12.263 ( -3.190 -7.321 1.101) 8.062 12.300 ( 3.983 -11.221 -1.029) 11.951 12.438 ( 1.197 -6.718 2.562) 7.289 12.513 ( -1.044 -13.331 -0.961) 13.406 12.812 ( -2.454 -0.924 3.474) 4.353 12.956 ( -1.555 -4.508 0.688) 4.818 12.999 ( 4.039 -3.317 -3.212) 6.135 13.030 ( 2.296 -7.312 -0.836) 7.709 13.126 ( -3.363 -6.861 2.779) 8.131 13.218 ( 0.713 -6.737 -1.907) 7.038 13.292 ( -1.301 -18.749 1.624) 18.864 13.388 ( 1.069 -14.376 -2.599) 14.649 13.609 ( 1.480 -15.236 0.234) 15.309 13.646 ( -1.070 -12.720 -1.558) 12.859 13.979 ( -1.293 -16.492 2.695) 16.761 14.081 ( 0.975 -13.434 -1.922) 13.606 14.259 ( 1.894 -3.555 -0.064) 4.028 14.281 ( -0.420 -3.522 -0.698) 3.615 14.324 ( -3.023 -9.142 1.025) 9.683 14.360 ( 1.464 -7.151 -0.495) 7.316 17.177 ( -0.084 22.171 4.168) 22.560 17.392 ( -0.042 19.586 -5.339) 20.300 17.818 ( -0.447 1.018 3.030) 3.228 17.964 ( 0.624 1.185 -3.437) 3.689 19.680 ( 0.101 32.221 0.757) 32.230 19.716 ( -0.058 31.388 -0.809) 31.398 20.322 ( -0.653 8.875 1.064) 8.962 20.372 ( 0.709 8.087 -1.156) 8.200 21.016 ( -1.484 -7.656 1.509) 7.943 21.070 ( 1.025 -7.597 -0.917) 7.720 21.287 ( 0.079 -18.289 0.919) 18.313 21.333 ( 0.450 -18.702 -1.127) 18.741 22.419 ( -0.462 6.666 1.384) 6.823 22.485 ( 0.481 7.041 -1.545) 7.225 22.792 ( -0.129 -1.385 1.973) 2.414 22.870 ( 0.010 -2.157 -1.510) 2.633 27.515 ( -0.159 6.990 0.220) 6.995 27.548 ( 0.687 7.271 -1.298) 7.417 27.667 ( -0.750 6.400 4.506) 7.863 27.830 ( 0.283 3.740 -3.121) 4.879 28.419 ( 1.046 6.585 0.719) 6.706 28.454 ( -1.453 5.451 -0.824) 5.701 28.496 ( 0.849 5.412 0.513) 5.502 28.514 ( -0.591 5.199 -0.292) 5.240 29.090 ( -0.427 3.117 0.723) 3.228 29.146 ( 0.236 1.352 -2.253) 2.639 29.235 ( 0.284 -1.352 1.789) 2.261 29.269 ( 0.221 -3.663 -0.145) 3.673 29.353 ( 0.717 7.137 2.369) 7.555 29.434 ( -0.429 6.153 -0.094) 6.169 29.505 ( -0.761 5.779 -1.304) 5.973 29.561 ( -0.105 2.899 -1.628) 3.326 29.974 ( 0.201 5.534 1.170) 5.660 30.039 ( 0.248 7.104 -1.783) 7.328 30.184 ( -1.195 1.067 1.376) 2.112 30.191 ( 0.458 5.414 0.676) 5.475 30.406 ( 1.161 -6.404 -1.021) 6.588 30.463 ( -0.720 -8.567 -2.377) 8.920 30.615 ( 0.470 -9.029 1.903) 9.239 30.663 ( -0.832 -12.031 0.197) 12.061 30.725 ( 0.766 -3.719 -0.019) 3.797 30.737 ( -0.670 -5.392 -0.707) 5.480 30.884 ( 1.964 -7.978 1.903) 8.433 30.923 ( -1.205 -7.477 0.102) 7.574 31.823 ( -0.158 -2.308 -0.258) 2.327 31.856 ( -0.302 -2.918 -1.793) 3.438 32.018 ( -0.625 -8.943 5.114) 10.321 32.201 ( 0.715 -16.301 -3.480) 16.684 ======================= Grid point 74 (38/60) ======================= q-point: (-0.25 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -6.601 13.024 -0.752) 14.621 1.675 ( -7.629 6.272 -0.383) 9.884 1.785 ( 9.074 12.958 -0.960) 15.849 1.804 ( -3.310 9.895 0.529) 10.447 1.972 ( -1.201 5.398 -1.934) 5.858 2.070 ( 5.458 5.586 -5.099) 9.326 2.098 ( 0.064 2.498 5.240) 5.806 2.185 ( 2.845 1.939 2.209) 4.090 2.254 ( -2.128 5.405 -3.936) 7.017 2.284 ( -2.487 2.122 -3.248) 4.608 2.294 ( -0.397 1.778 4.068) 4.458 2.362 ( 1.273 1.434 -6.925) 7.185 2.416 ( -5.254 4.165 -0.757) 6.747 2.497 ( 0.819 3.758 -1.929) 4.303 2.554 ( -0.536 0.106 2.015) 2.088 2.623 ( -0.001 -0.131 2.812) 2.815 2.708 ( 3.719 1.329 -0.683) 4.008 2.749 ( 2.876 4.561 6.363) 8.341 2.786 ( -2.269 4.189 -2.462) 5.363 2.854 ( -0.459 3.175 -3.386) 4.664 2.919 ( -4.856 -4.285 2.568) 6.966 2.971 ( 0.821 -1.790 0.525) 2.038 3.054 ( -1.382 5.579 -0.036) 5.748 3.120 ( -2.718 -0.751 6.875) 7.431 3.184 ( -2.945 -0.747 -1.054) 3.216 3.230 ( -0.288 -3.027 -4.674) 5.576 3.275 ( -2.142 5.163 4.388) 7.106 3.431 ( -6.333 4.271 0.105) 7.639 3.529 ( 5.524 -2.551 4.934) 7.834 3.678 ( -1.338 -0.315 3.536) 3.794 3.721 ( -1.094 -0.834 4.453) 4.660 3.806 ( -1.820 -2.253 -5.902) 6.574 3.887 ( 2.639 0.112 -1.136) 2.875 4.015 ( -1.483 1.626 -2.392) 3.250 4.141 ( -2.005 -2.816 0.649) 3.517 4.329 ( 1.163 1.040 -1.707) 2.312 4.373 ( 1.760 0.658 0.365) 1.914 4.412 ( -5.126 -1.421 -1.054) 5.423 4.513 ( 2.944 -1.039 -1.361) 3.405 4.606 ( -1.602 0.183 -2.892) 3.311 4.797 ( -2.670 5.306 3.579) 6.935 4.957 ( 7.189 5.625 1.264) 9.215 5.018 ( 9.614 1.667 -3.178) 10.262 5.142 ( 1.848 2.461 3.940) 5.000 5.183 ( 6.217 1.935 -0.410) 6.524 5.249 ( 0.197 1.713 -0.153) 1.731 5.322 ( 2.473 -2.225 0.174) 3.331 5.440 ( 2.152 2.191 -6.346) 7.050 5.724 ( -5.081 1.972 2.736) 6.099 5.845 ( -4.247 3.270 -3.134) 6.208 5.911 ( -1.451 1.972 -0.548) 2.508 6.067 ( 2.937 -1.035 -2.477) 3.979 6.457 ( 4.029 5.007 -2.028) 6.739 6.508 ( -8.184 12.124 4.958) 15.445 6.818 ( 6.446 7.910 -4.294) 11.070 7.089 ( -11.459 4.236 2.151) 12.404 7.285 ( 1.221 16.907 1.851) 17.052 7.376 ( -1.150 16.997 -0.422) 17.041 7.650 ( -0.254 21.583 0.616) 21.593 7.806 ( 1.394 19.658 -3.836) 20.077 7.887 ( 0.293 8.859 3.327) 9.468 7.941 ( -0.452 6.935 2.172) 7.281 7.986 ( -0.461 2.587 8.000) 8.421 8.176 ( 5.422 1.513 3.441) 6.598 8.285 ( 0.243 -4.415 -2.226) 4.951 8.326 ( -0.239 3.615 2.023) 4.149 8.427 ( 8.808 1.303 -4.813) 10.122 8.597 ( 0.770 3.606 -1.517) 3.987 8.724 ( 1.859 -8.572 4.786) 9.992 8.928 ( -3.730 2.241 -3.567) 5.627 8.964 ( -4.685 0.702 -4.405) 6.469 9.234 ( -6.927 -1.516 -2.252) 7.440 9.727 ( 0.097 14.589 2.291) 14.768 9.753 ( 3.727 11.401 -2.023) 12.164 10.064 ( 2.439 4.156 6.617) 8.186 10.252 ( -2.187 7.158 -1.563) 7.646 10.281 ( -1.880 8.781 -2.493) 9.319 10.427 ( -0.423 6.471 -2.137) 6.828 10.538 ( 0.844 11.689 4.078) 12.408 10.691 ( 5.845 9.860 -1.814) 11.605 11.031 ( -1.025 0.817 -3.417) 3.660 11.086 ( 5.441 2.108 3.103) 6.609 11.351 ( -9.151 3.730 -2.304) 10.147 11.501 ( -9.049 -5.972 1.444) 10.938 11.853 ( 6.895 -0.241 -1.627) 7.089 11.910 ( 1.645 0.803 0.150) 1.836 11.989 ( 1.781 -10.436 -1.239) 10.660 12.065 ( -1.034 -7.373 1.574) 7.610 12.253 ( 2.156 -8.515 -0.306) 8.789 12.381 ( 0.855 -7.412 0.962) 7.523 12.401 ( -0.154 -14.079 2.077) 14.232 12.545 ( 1.677 -15.038 -0.042) 15.131 12.784 ( 0.054 -0.522 1.167) 1.279 12.924 ( -1.013 -4.026 -0.718) 4.213 13.013 ( -1.688 -0.291 -0.186) 1.723 13.055 ( -3.394 -6.141 2.577) 7.475 13.106 ( 3.760 -7.207 -0.882) 8.176 13.228 ( 0.290 -8.046 -1.446) 8.180 13.283 ( 0.433 -19.334 0.311) 19.342 13.393 ( -0.516 -14.675 -1.869) 14.802 13.601 ( -2.287 -15.850 1.869) 16.123 13.631 ( 0.253 -12.556 -2.680) 12.841 13.958 ( -0.466 -17.302 1.678) 17.390 14.082 ( -1.137 -15.575 -1.256) 15.667 14.253 ( -1.939 -4.046 1.791) 4.831 14.279 ( 0.336 -4.140 -1.275) 4.345 14.323 ( 2.517 -5.326 -0.802) 5.945 14.379 ( 0.243 -6.765 0.070) 6.770 17.178 ( -0.392 22.039 4.583) 22.514 17.403 ( 1.615 19.044 -5.972) 20.024 17.805 ( -0.909 1.964 2.541) 3.338 17.944 ( -1.902 2.495 -2.820) 4.219 19.750 ( 6.203 30.973 0.679) 31.595 19.781 ( 5.923 30.105 -0.691) 30.690 20.244 ( -6.329 10.489 -0.028) 12.251 20.294 ( -7.752 9.697 0.085) 12.415 20.957 ( -2.737 -8.408 0.459) 8.855 21.017 ( -3.669 -9.002 -0.419) 9.730 21.344 ( 3.629 -18.502 0.950) 18.878 21.395 ( 3.323 -19.174 -0.634) 19.470 22.458 ( 3.624 6.532 0.261) 7.475 22.510 ( 1.638 6.611 -0.633) 6.840 22.792 ( -0.152 -1.182 2.002) 2.330 22.869 ( 0.022 -2.084 -1.541) 2.592 27.513 ( -0.031 7.036 0.057) 7.036 27.554 ( -0.177 6.738 -1.046) 6.821 27.667 ( 0.288 6.693 4.284) 7.952 27.832 ( 0.305 3.694 -3.013) 4.777 28.410 ( -1.617 6.864 -0.239) 7.056 28.441 ( 0.252 6.946 0.342) 6.959 28.498 ( -0.037 4.195 -0.024) 4.195 28.528 ( 1.152 4.722 0.135) 4.862 29.059 ( -1.907 4.339 0.941) 4.832 29.143 ( -0.192 2.291 -2.494) 3.392 29.248 ( 0.524 -3.153 2.011) 3.777 29.284 ( 0.789 -5.286 -0.229) 5.349 29.383 ( 1.501 6.270 3.111) 7.159 29.433 ( -0.089 6.481 0.944) 6.550 29.503 ( 1.282 6.712 -3.343) 7.608 29.554 ( -0.305 2.542 -1.565) 3.001 29.975 ( -0.161 5.619 1.411) 5.796 30.049 ( 0.768 7.015 -2.268) 7.412 30.189 ( 0.847 3.312 1.064) 3.580 30.210 ( 1.519 3.450 0.707) 3.835 30.409 ( -0.721 -7.683 0.483) 7.731 30.451 ( 0.408 -7.649 -2.255) 7.985 30.568 ( -4.203 -10.159 0.312) 10.999 30.655 ( -0.304 -10.218 0.997) 10.271 30.714 ( -1.864 -2.916 0.321) 3.476 30.735 ( 0.263 -4.104 -0.602) 4.156 30.909 ( 0.244 -6.553 -0.634) 6.588 30.923 ( 1.136 -10.117 1.525) 10.294 31.819 ( -0.167 -2.323 0.121) 2.333 31.846 ( -0.176 -2.452 -1.586) 2.926 32.001 ( -1.401 -8.224 5.116) 9.786 32.212 ( 0.602 -17.123 -3.590) 17.506 ======================= Grid point 75 (39/60) ======================= q-point: ( 0.00 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -2.284 6.775 0.474) 7.166 1.742 ( 0.705 0.047 -2.325) 2.430 1.937 ( -0.738 4.136 1.434) 4.439 1.979 ( 3.442 2.391 -1.682) 4.516 2.074 ( 0.921 3.284 0.619) 3.467 2.148 ( 3.281 0.005 -3.836) 5.047 2.187 ( -2.869 -0.607 3.826) 4.820 2.199 ( 0.711 -0.673 -0.200) 0.999 2.257 ( 0.124 6.032 0.242) 6.038 2.289 ( -0.733 3.906 -0.323) 3.987 2.367 ( -0.673 3.343 -1.147) 3.598 2.400 ( -0.430 2.072 -0.080) 2.118 2.438 ( -4.031 2.195 1.292) 4.768 2.496 ( 1.540 -0.015 -0.264) 1.562 2.540 ( -1.131 -1.120 -0.023) 1.592 2.587 ( 2.015 -5.309 0.296) 5.686 2.748 ( -1.922 -0.255 0.823) 2.106 2.766 ( -4.997 0.582 -2.404) 5.575 2.846 ( 7.058 2.675 2.681) 8.010 2.890 ( 3.863 -0.456 1.410) 4.138 2.931 ( -0.945 -1.232 3.007) 3.384 2.965 ( 1.093 -4.004 4.387) 6.039 3.032 ( -1.025 2.844 -1.415) 3.337 3.062 ( -2.751 -0.374 -3.003) 4.090 3.160 ( 1.597 8.497 -0.142) 8.647 3.253 ( 0.694 -0.077 -1.903) 2.027 3.363 ( -4.637 6.288 4.786) 9.162 3.469 ( 0.354 4.216 -1.240) 4.409 3.485 ( -3.649 -4.314 5.005) 7.548 3.560 ( 4.328 -4.598 1.911) 6.597 3.653 ( -0.542 -2.017 -2.279) 3.091 3.706 ( -0.320 -6.888 -4.699) 8.345 3.955 ( 2.605 4.436 4.095) 6.575 4.052 ( 0.272 -2.951 3.419) 4.524 4.159 ( 1.495 5.226 -0.253) 5.442 4.278 ( -1.655 -4.979 -0.043) 5.247 4.357 ( -2.162 2.250 -5.416) 6.250 4.415 ( -2.887 -3.996 -7.367) 8.864 4.549 ( 4.354 3.892 1.235) 5.969 4.588 ( 1.276 0.463 0.278) 1.386 4.987 ( 0.908 8.528 3.165) 9.142 5.128 ( -5.077 -3.034 -2.010) 6.247 5.162 ( -0.789 1.022 1.324) 1.849 5.179 ( 2.799 -1.087 -1.210) 3.237 5.262 ( -1.052 0.497 1.035) 1.558 5.274 ( 0.599 1.089 -0.125) 1.249 5.307 ( 1.893 2.184 -1.422) 3.221 5.429 ( -0.146 -7.045 -3.363) 7.808 5.721 ( -2.940 5.331 1.431) 6.254 5.835 ( -2.493 -4.861 1.413) 5.643 5.866 ( 1.905 6.977 -2.722) 7.728 6.028 ( 3.741 -7.548 -4.712) 9.652 6.604 ( -1.177 6.320 -1.171) 6.534 6.635 ( 3.997 4.437 -3.885) 7.125 6.847 ( -5.422 2.731 5.143) 7.957 6.936 ( 2.187 -4.741 -0.526) 5.247 7.564 ( 0.243 11.911 4.522) 12.743 7.706 ( 0.940 12.753 -1.193) 12.843 7.780 ( -0.899 -5.999 5.689) 8.317 7.905 ( -0.066 -1.581 -0.322) 1.615 8.099 ( -1.517 6.711 6.535) 9.489 8.152 ( 0.338 2.068 7.855) 8.130 8.185 ( -1.889 8.599 2.088) 9.049 8.275 ( 1.318 18.049 0.690) 18.111 8.394 ( -4.364 -5.359 4.950) 8.501 8.459 ( 3.518 4.190 -4.116) 6.847 8.503 ( -0.896 8.266 -7.315) 11.074 8.624 ( 8.234 -11.552 -1.439) 14.259 8.694 ( -3.292 6.183 -1.066) 7.086 8.861 ( -3.945 -4.855 0.669) 6.291 8.918 ( 2.519 -0.620 -7.246) 7.697 8.993 ( -0.859 -5.509 -5.044) 7.518 9.997 ( -0.955 12.057 0.347) 12.100 10.019 ( 1.381 8.724 -1.217) 8.916 10.141 ( 0.752 0.505 4.956) 5.038 10.271 ( 0.597 -6.992 -1.584) 7.194 10.459 ( -3.576 15.898 0.939) 16.322 10.552 ( 1.881 11.943 -3.702) 12.645 10.721 ( 0.831 -1.185 0.861) 1.684 10.745 ( -1.099 -8.256 -0.335) 8.336 11.115 ( 2.466 4.018 2.537) 5.354 11.198 ( -2.437 -3.911 4.539) 6.468 11.255 ( -1.767 6.961 -3.385) 7.940 11.353 ( 2.519 -1.800 -2.614) 4.052 11.780 ( -1.089 -4.488 0.139) 4.620 11.832 ( 0.789 -6.807 -1.473) 7.009 11.962 ( 1.866 -1.055 0.951) 2.345 12.018 ( 1.707 -2.481 -1.652) 3.435 12.139 ( -3.617 -3.851 1.804) 5.582 12.156 ( -1.214 -4.635 1.251) 4.952 12.253 ( 0.649 -7.458 0.628) 7.512 12.267 ( 0.297 -8.712 -0.144) 8.718 12.828 ( -0.656 -0.707 -0.231) 0.991 12.849 ( 1.243 1.310 -1.754) 2.517 12.957 ( -1.399 -2.528 2.673) 3.937 12.972 ( 0.308 -8.370 -0.153) 8.377 13.008 ( -0.367 -1.832 0.913) 2.080 13.070 ( 0.014 -4.698 3.617) 5.929 13.137 ( 2.935 0.792 -3.108) 4.348 13.183 ( -2.033 -3.305 -0.920) 3.988 13.451 ( 0.354 4.182 1.080) 4.334 13.541 ( 0.141 1.913 -2.644) 3.267 13.653 ( 1.281 -14.712 1.472) 14.840 13.713 ( -1.725 -13.891 -1.194) 14.049 14.232 ( -0.051 1.194 0.176) 1.208 14.256 ( 0.293 -0.732 -0.923) 1.213 14.277 ( -0.010 -2.235 0.351) 2.263 14.287 ( 0.007 -3.284 -0.052) 3.284 17.532 ( -0.452 15.081 3.887) 15.580 17.722 ( 0.786 11.522 -4.365) 12.346 17.752 ( -0.390 -6.549 2.883) 7.166 17.895 ( 0.135 -5.220 -3.221) 6.135 20.402 ( -4.616 20.814 0.102) 21.320 20.411 ( 3.207 16.735 -0.050) 17.040 20.419 ( 4.750 16.983 0.321) 17.638 20.431 ( -3.382 22.524 -0.125) 22.777 20.734 ( 0.145 -10.086 0.681) 10.110 20.770 ( -0.056 -8.932 -0.869) 8.975 20.964 ( -0.203 -23.233 1.102) 23.260 21.009 ( 0.072 -23.435 -0.882) 23.451 22.624 ( 0.146 5.767 0.496) 5.790 22.654 ( -0.286 6.623 -0.903) 6.690 22.734 ( 0.063 -4.308 1.399) 4.530 22.787 ( 0.102 -5.855 -1.037) 5.947 27.618 ( -0.021 3.445 0.773) 3.531 27.635 ( -0.157 1.957 0.617) 2.058 27.787 ( 0.065 4.724 0.590) 4.761 27.853 ( 0.077 -1.555 -1.953) 2.498 28.500 ( 0.305 3.327 0.217) 3.348 28.518 ( -0.706 2.154 -0.775) 2.396 28.547 ( 0.752 0.531 0.730) 1.175 28.565 ( -0.338 -0.574 -0.227) 0.704 29.124 ( 0.018 3.419 0.571) 3.466 29.157 ( 0.075 0.737 -0.834) 1.116 29.182 ( -0.388 -2.859 0.578) 2.943 29.198 ( 0.318 -3.712 -0.130) 3.728 29.535 ( -0.368 5.790 1.317) 5.949 29.551 ( 0.167 3.936 0.815) 4.023 29.606 ( -0.241 3.132 -0.762) 3.233 29.623 ( 0.508 2.215 -1.272) 2.604 30.060 ( -0.035 3.074 0.563) 3.126 30.114 ( 0.141 -1.595 -1.432) 2.148 30.227 ( 0.035 -0.908 0.627) 1.104 30.253 ( -0.396 -1.836 0.105) 1.881 30.328 ( -0.136 1.379 0.090) 1.388 30.353 ( -0.306 2.664 -0.971) 2.852 30.401 ( 1.057 -5.582 2.469) 6.194 30.475 ( -0.363 -7.151 -1.066) 7.239 30.687 ( 0.135 0.926 0.730) 1.187 30.726 ( -0.189 2.945 -0.954) 3.101 30.760 ( -0.386 -6.005 1.320) 6.161 30.810 ( 0.283 -5.248 -0.918) 5.335 31.809 ( 0.025 1.298 0.381) 1.353 31.837 ( 0.175 1.598 -0.751) 1.774 31.870 ( -0.097 -3.909 1.877) 4.338 31.953 ( -0.039 -9.349 -1.817) 9.524 ======================= Grid point 76 (40/60) ======================= q-point: ( 0.25 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 6.884 7.185 -1.879) 10.127 1.818 ( 7.902 -3.830 -2.746) 9.201 1.973 ( -1.710 6.385 1.437) 6.765 2.008 ( -0.585 9.367 1.077) 9.447 2.054 ( -3.198 -1.221 1.268) 3.650 2.128 ( -1.379 0.732 4.244) 4.522 2.170 ( -0.042 3.177 -1.781) 3.642 2.235 ( 1.621 -0.892 -2.562) 3.160 2.289 ( 3.580 1.092 -0.492) 3.775 2.324 ( 1.289 1.295 -0.581) 1.917 2.334 ( 1.846 1.189 -2.748) 3.517 2.368 ( 2.255 1.667 -1.698) 3.278 2.439 ( -2.689 8.498 -1.293) 9.006 2.530 ( 3.764 1.249 1.268) 4.164 2.588 ( -3.841 -2.007 1.850) 4.712 2.598 ( 3.963 -1.451 -1.987) 4.664 2.676 ( -4.292 -0.960 0.108) 4.400 2.688 ( 1.023 -2.305 2.242) 3.374 2.870 ( -3.189 0.845 0.571) 3.348 2.909 ( -3.803 -2.300 1.461) 4.678 2.938 ( -0.087 -0.288 3.660) 3.673 2.960 ( 0.056 -3.071 4.584) 5.518 3.075 ( 3.312 6.683 -0.093) 7.459 3.131 ( 7.871 2.086 -3.231) 8.760 3.212 ( 2.781 4.349 0.410) 5.179 3.262 ( 0.630 -0.900 -0.408) 1.172 3.309 ( -1.102 3.943 3.742) 5.547 3.394 ( -2.791 -3.278 1.673) 4.619 3.532 ( 2.505 4.460 3.059) 5.961 3.633 ( 2.942 -2.054 1.634) 3.943 3.674 ( 2.972 0.014 -1.853) 3.502 3.777 ( 6.903 -8.038 -3.870) 11.280 4.021 ( 2.398 4.144 4.611) 6.646 4.080 ( 2.633 2.269 2.616) 4.350 4.168 ( -1.082 -0.868 -0.981) 1.699 4.220 ( -3.886 -3.918 -3.653) 6.618 4.318 ( -2.208 -1.140 -3.377) 4.193 4.353 ( -1.526 -3.566 -1.953) 4.343 4.516 ( -4.089 8.583 -1.745) 9.666 4.651 ( 1.421 -3.541 -1.877) 4.252 4.939 ( -4.771 0.682 2.553) 5.454 4.948 ( -9.358 -0.790 -2.416) 9.697 5.067 ( -6.408 2.635 0.384) 6.939 5.131 ( -9.139 -2.999 1.009) 9.671 5.145 ( -3.878 2.042 1.346) 4.585 5.206 ( -3.375 -3.881 0.964) 5.233 5.371 ( 1.545 3.472 -3.160) 4.942 5.437 ( 0.337 -3.021 -5.877) 6.617 5.736 ( 3.786 3.469 1.503) 5.351 5.821 ( 2.104 -4.747 0.497) 5.217 5.936 ( 1.666 4.887 -2.041) 5.552 6.035 ( -2.320 -4.328 -1.383) 5.102 6.674 ( 8.859 11.788 -3.568) 15.171 6.798 ( -2.063 8.656 5.468) 10.444 6.847 ( 14.759 1.730 -4.527) 15.535 7.038 ( 6.172 -7.718 1.349) 9.974 7.570 ( -0.322 12.359 4.478) 13.149 7.700 ( -1.053 14.709 -1.374) 14.810 7.777 ( -0.573 -8.183 6.506) 10.470 7.901 ( -0.830 -3.546 -0.472) 3.672 8.058 ( -3.969 7.728 4.700) 9.877 8.127 ( -2.213 3.432 3.231) 5.207 8.173 ( -0.170 1.145 5.592) 5.710 8.253 ( -3.986 16.001 4.757) 17.163 8.277 ( -4.162 -2.275 0.320) 4.754 8.423 ( -6.133 9.043 -0.713) 10.950 8.447 ( -2.325 5.164 -5.303) 7.759 8.618 ( -7.356 -8.129 2.982) 11.362 8.659 ( 2.329 8.172 -4.694) 9.708 8.894 ( 6.082 -12.622 -10.044) 17.239 8.999 ( 6.564 -0.039 -4.819) 8.143 9.045 ( 2.079 -4.307 0.140) 4.785 9.976 ( -0.582 11.410 -0.153) 11.426 10.031 ( -0.818 6.498 -0.282) 6.555 10.119 ( -2.823 6.197 4.305) 8.056 10.268 ( -0.296 -6.047 -2.531) 6.562 10.475 ( 4.904 11.800 1.305) 12.845 10.648 ( 6.141 8.548 -1.145) 10.588 10.700 ( -1.063 -3.396 -1.888) 4.028 10.759 ( 0.463 4.848 1.564) 5.116 11.113 ( -2.415 11.165 -0.433) 11.432 11.151 ( -2.186 0.257 1.533) 2.683 11.292 ( 4.847 -2.619 1.921) 5.835 11.412 ( 2.419 -8.834 -2.264) 9.435 11.736 ( -1.744 -5.907 -1.154) 6.266 11.783 ( -3.350 -9.289 0.034) 9.875 11.883 ( -7.627 -2.302 2.167) 8.256 11.950 ( -7.415 -5.370 -0.833) 9.193 12.140 ( 3.074 0.985 -0.687) 3.301 12.178 ( 2.176 -3.868 0.355) 4.452 12.299 ( 2.948 -5.451 1.003) 6.277 12.316 ( 2.615 -7.120 0.209) 7.588 12.839 ( 1.783 -0.785 -0.857) 2.129 12.865 ( 1.264 1.304 -1.596) 2.418 12.909 ( -3.481 -3.072 2.316) 5.188 12.965 ( -2.684 -5.718 -0.277) 6.323 13.009 ( 1.345 -2.589 0.865) 3.043 13.061 ( -0.441 -5.628 3.002) 6.394 13.126 ( -1.603 -1.376 -0.734) 2.237 13.190 ( 0.453 -5.111 -1.782) 5.432 13.473 ( 1.354 4.919 1.606) 5.349 13.564 ( 2.276 2.908 -2.555) 4.491 13.686 ( 0.969 -13.782 2.784) 14.094 13.747 ( 4.563 -13.221 -3.237) 14.356 14.218 ( -1.025 0.695 0.445) 1.316 14.252 ( -0.679 -2.185 -0.625) 2.372 14.265 ( -0.769 -1.591 -0.194) 1.778 14.269 ( -1.683 -2.743 0.277) 3.230 17.533 ( 0.047 15.128 3.575) 15.544 17.719 ( -0.521 11.424 -3.550) 11.974 17.756 ( 0.305 -6.288 2.528) 6.784 17.900 ( 0.665 -5.724 -3.330) 6.656 20.311 ( -3.404 26.003 0.136) 26.225 20.335 ( -3.632 24.405 -0.065) 24.674 20.491 ( 2.465 10.636 0.617) 10.935 20.516 ( 3.545 12.189 -0.546) 12.706 20.775 ( 3.647 -10.891 0.833) 11.516 20.811 ( 4.218 -8.508 -0.887) 9.537 20.942 ( -2.139 -20.516 0.937) 20.649 20.989 ( -2.183 -21.820 -0.819) 21.945 22.596 ( -2.365 6.783 0.996) 7.252 22.638 ( -0.862 6.899 -1.296) 7.072 22.727 ( -0.806 -4.762 1.499) 5.057 22.784 ( -0.182 -6.245 -1.176) 6.357 27.620 ( 0.091 3.498 0.833) 3.597 27.637 ( 0.248 2.084 0.530) 2.165 27.782 ( -0.522 4.669 0.696) 4.749 27.849 ( -0.108 -1.670 -2.021) 2.624 28.504 ( -0.044 3.237 -0.230) 3.246 28.520 ( 0.968 2.377 0.291) 2.583 28.550 ( -0.928 -0.119 -0.349) 0.998 28.559 ( 0.157 -0.143 0.212) 0.300 29.129 ( 0.330 2.232 0.348) 2.283 29.161 ( 0.134 0.864 -0.517) 1.016 29.176 ( 0.058 -2.471 0.375) 2.500 29.203 ( 0.092 -3.068 -0.083) 3.070 29.521 ( -0.836 6.534 1.336) 6.722 29.551 ( -0.243 3.516 0.536) 3.565 29.609 ( 0.509 3.395 -0.991) 3.573 29.625 ( -0.139 2.076 -0.787) 2.225 30.059 ( -0.083 3.107 0.522) 3.152 30.107 ( -0.571 -1.315 -0.963) 1.727 30.209 ( -1.095 0.388 0.682) 1.348 30.255 ( 0.047 -2.470 -0.139) 2.474 30.336 ( 0.708 1.323 0.124) 1.505 30.353 ( 0.501 2.870 -0.914) 3.054 30.427 ( 0.695 -7.435 1.810) 7.683 30.472 ( 0.167 -7.138 -0.809) 7.185 30.691 ( 0.023 0.512 0.897) 1.034 30.723 ( 0.140 2.975 -1.018) 3.148 30.751 ( -0.451 -5.122 1.240) 5.289 30.810 ( -0.143 -5.470 -0.746) 5.523 31.813 ( 0.244 1.414 0.312) 1.469 31.842 ( 0.343 1.635 -0.911) 1.903 31.877 ( 0.436 -4.466 1.961) 4.897 31.952 ( 0.210 -9.013 -1.751) 9.184 ======================= Grid point 77 (41/60) ======================= q-point: (-0.50 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -1.432 6.383 -1.120) 6.637 1.887 ( -0.635 5.411 -3.579) 6.518 1.913 ( -2.371 1.814 0.359) 3.007 2.014 ( 10.512 -2.449 -2.855) 11.165 2.068 ( 3.252 7.674 2.589) 8.728 2.121 ( -5.303 8.072 2.973) 10.105 2.145 ( -1.134 1.852 0.344) 2.199 2.206 ( -4.050 -0.739 1.062) 4.251 2.278 ( -3.870 6.997 1.753) 8.186 2.334 ( 0.220 -1.176 -1.892) 2.238 2.375 ( 0.035 3.197 -2.528) 4.076 2.413 ( 2.456 3.871 -4.222) 6.232 2.468 ( 3.586 -1.665 -1.393) 4.192 2.503 ( -2.247 -7.225 -3.060) 8.162 2.587 ( 0.078 1.838 -1.911) 2.653 2.646 ( 1.777 1.946 2.456) 3.602 2.652 ( 1.252 -3.492 0.894) 3.816 2.710 ( -0.164 -0.853 4.283) 4.371 2.824 ( -1.263 0.352 -0.470) 1.392 2.845 ( -0.718 0.632 1.509) 1.787 2.926 ( -1.632 1.265 4.252) 4.726 3.004 ( 2.296 -2.825 2.731) 4.551 3.116 ( 1.901 0.524 2.101) 2.881 3.180 ( -2.405 -1.802 1.529) 3.372 3.257 ( -1.520 5.031 0.159) 5.258 3.269 ( -1.025 5.416 1.654) 5.755 3.303 ( 1.110 0.020 1.210) 1.642 3.370 ( 1.343 -3.849 -2.476) 4.770 3.579 ( 0.504 4.744 4.235) 6.379 3.668 ( 0.150 -3.194 5.597) 6.446 3.755 ( 2.315 5.443 -0.148) 5.916 3.847 ( -2.168 -3.525 -4.094) 5.821 3.978 ( -4.300 6.883 -1.550) 8.262 4.087 ( -4.451 -1.541 -3.908) 6.120 4.149 ( -1.160 -3.242 1.018) 3.591 4.235 ( 6.079 -7.443 -1.775) 9.772 4.297 ( 3.781 1.632 1.594) 4.416 4.371 ( 3.889 -5.223 4.086) 7.687 4.444 ( -2.050 7.745 -4.341) 9.113 4.610 ( -3.734 -6.616 -7.417) 10.618 4.847 ( -0.454 0.515 -0.737) 1.007 4.863 ( -0.579 -0.219 -0.203) 0.651 4.989 ( -2.110 0.297 0.925) 2.323 5.016 ( 1.906 -2.003 0.406) 2.795 5.130 ( 1.720 2.353 3.616) 4.644 5.188 ( 1.563 -3.390 2.463) 4.473 5.370 ( -0.877 3.037 -4.371) 5.394 5.420 ( -0.545 -1.965 -7.557) 7.827 5.807 ( 1.703 3.240 2.097) 4.219 5.883 ( 2.278 -4.019 1.901) 4.996 5.932 ( -0.261 2.629 -3.321) 4.243 5.986 ( -1.446 -2.768 -2.485) 3.991 6.705 ( -5.979 13.487 3.648) 15.197 6.853 ( 3.414 3.661 -0.736) 5.060 6.987 ( -2.897 9.425 0.967) 9.908 7.171 ( 5.237 -4.723 -5.638) 9.028 7.564 ( -1.623 11.745 5.238) 12.962 7.680 ( 0.156 13.086 -1.208) 13.143 7.760 ( -1.272 -7.670 5.732) 9.660 7.881 ( 0.521 -4.972 0.034) 5.000 8.017 ( 1.408 5.824 6.089) 8.542 8.098 ( 0.144 -1.860 4.911) 5.253 8.161 ( -1.590 6.564 2.809) 7.315 8.212 ( -0.863 15.746 5.629) 16.744 8.266 ( 3.156 2.813 -1.735) 4.570 8.323 ( -1.395 3.263 -2.579) 4.387 8.448 ( 2.033 1.080 -0.464) 2.349 8.481 ( -5.527 -6.173 1.492) 8.419 8.711 ( 2.301 11.208 -4.828) 12.418 8.946 ( 0.641 -8.003 -11.836) 14.302 9.030 ( -2.936 -1.458 -0.236) 3.287 9.123 ( 3.969 -9.850 -2.380) 10.883 9.966 ( -0.675 10.113 0.835) 10.170 10.005 ( -0.254 12.035 -1.079) 12.086 10.096 ( 0.032 3.102 4.568) 5.522 10.252 ( -0.656 -6.517 -2.864) 7.149 10.573 ( 1.940 11.115 2.390) 11.534 10.687 ( -1.610 7.980 -3.048) 8.693 10.712 ( 0.337 3.860 1.397) 4.119 10.762 ( 0.510 6.246 -0.114) 6.268 11.090 ( 0.439 12.099 0.358) 12.113 11.123 ( 0.111 6.133 -1.345) 6.280 11.340 ( -1.679 -14.102 3.172) 14.552 11.433 ( -0.045 -14.525 -0.900) 14.552 11.731 ( 3.254 -1.062 0.758) 3.506 11.760 ( -2.411 -4.735 1.354) 5.483 11.795 ( -3.952 -8.078 -1.530) 9.122 11.830 ( 3.555 -7.716 -1.632) 8.651 12.183 ( 1.202 0.222 0.479) 1.313 12.197 ( -0.811 -0.479 -0.003) 0.942 12.326 ( -0.358 -5.460 0.939) 5.551 12.354 ( 0.492 -5.615 -0.301) 5.644 12.829 ( -2.452 2.085 1.639) 3.612 12.881 ( -0.507 -3.141 0.616) 3.241 12.916 ( 2.304 -2.699 -2.039) 4.093 12.921 ( 1.700 -2.454 -1.798) 3.484 13.026 ( -0.918 -3.004 1.919) 3.681 13.048 ( -0.391 -5.983 2.078) 6.345 13.126 ( 0.687 -2.393 -0.205) 2.498 13.176 ( -0.487 -7.648 -1.484) 7.806 13.482 ( -0.901 3.505 2.208) 4.240 13.605 ( 1.148 4.576 -3.294) 5.753 13.683 ( -1.703 -11.995 2.829) 12.441 13.818 ( 1.580 -12.971 -3.273) 13.470 14.212 ( 0.590 -0.962 0.595) 1.276 14.227 ( -0.981 -2.200 0.826) 2.546 14.243 ( -0.417 -0.552 -0.477) 0.840 14.262 ( 0.478 -2.881 -0.528) 2.968 17.538 ( -0.039 14.999 3.550) 15.414 17.710 ( 0.211 12.537 -3.888) 13.128 17.758 ( -0.479 -6.541 3.037) 7.228 17.907 ( 0.324 -6.742 -3.439) 7.576 20.279 ( 0.238 28.235 0.350) 28.238 20.294 ( -0.206 26.811 -0.322) 26.814 20.513 ( -0.178 7.296 0.850) 7.348 20.551 ( 0.184 7.433 -0.855) 7.484 20.847 ( -0.104 -9.005 0.987) 9.060 20.884 ( 1.073 -14.638 -0.038) 14.677 20.895 ( -1.964 -15.413 0.269) 15.540 20.941 ( 1.021 -19.121 -1.118) 19.181 22.566 ( -0.228 7.988 1.301) 8.097 22.629 ( 0.398 7.325 -1.637) 7.516 22.716 ( -0.270 -5.665 1.719) 5.927 22.781 ( 0.065 -6.523 -1.282) 6.648 27.621 ( -0.090 3.638 0.839) 3.735 27.643 ( 0.112 1.845 0.512) 1.918 27.774 ( -0.159 4.949 0.730) 5.005 27.847 ( 0.168 -1.873 -2.031) 2.768 28.509 ( 0.527 3.034 0.235) 3.088 28.524 ( -1.012 2.179 -0.515) 2.457 28.544 ( 0.608 0.306 0.416) 0.798 28.557 ( -0.129 -0.165 -0.236) 0.315 29.136 ( 0.089 1.764 0.360) 1.802 29.156 ( -0.210 0.096 -0.387) 0.450 29.185 ( 0.321 -1.778 0.339) 1.838 29.201 ( -0.237 -2.681 -0.249) 2.703 29.514 ( 0.003 6.576 1.397) 6.723 29.549 ( 0.062 3.357 0.308) 3.372 29.613 ( -0.125 3.900 -0.914) 4.007 29.622 ( -0.019 2.448 -0.705) 2.547 30.059 ( -0.061 2.734 0.558) 2.791 30.098 ( 0.042 -1.249 -0.549) 1.365 30.199 ( 0.072 2.143 0.716) 2.261 30.254 ( 0.108 -2.215 -0.576) 2.291 30.345 ( -0.023 0.184 -0.151) 0.239 30.363 ( 0.261 2.352 -0.861) 2.518 30.430 ( -0.672 -7.757 1.495) 7.928 30.474 ( 0.217 -7.270 -0.411) 7.285 30.689 ( -0.283 0.373 0.790) 0.919 30.728 ( 0.340 2.475 -0.878) 2.648 30.752 ( 0.281 -5.389 1.550) 5.614 30.804 ( -0.205 -4.981 -0.868) 5.060 31.816 ( -0.069 1.571 0.272) 1.596 31.844 ( -0.048 1.806 -0.961) 2.046 31.884 ( -0.145 -4.711 1.755) 5.029 31.956 ( 0.248 -8.996 -1.533) 9.129 ======================= Grid point 78 (42/60) ======================= q-point: (-0.25 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -3.580 5.928 -4.044) 8.020 1.772 ( -5.857 3.238 -1.056) 6.775 1.963 ( -4.720 6.891 1.603) 8.505 2.016 ( 1.707 7.300 3.935) 8.467 2.082 ( -4.497 -1.513 1.564) 4.995 2.095 ( -2.031 3.492 0.514) 4.073 2.147 ( 3.889 2.422 -1.871) 4.949 2.213 ( 4.175 -0.728 -3.444) 5.461 2.257 ( -0.096 2.836 0.612) 2.903 2.301 ( -0.874 0.028 -0.163) 0.890 2.368 ( -1.123 -0.017 1.066) 1.548 2.411 ( -1.744 -2.675 -0.764) 3.284 2.458 ( 2.667 5.899 -6.381) 9.090 2.549 ( 1.154 -0.986 -3.027) 3.387 2.575 ( -5.920 -1.646 0.372) 6.155 2.594 ( -1.843 4.913 3.012) 6.050 2.712 ( 2.131 -2.897 1.743) 3.997 2.717 ( 3.760 -5.546 1.597) 6.888 2.824 ( -0.202 2.100 0.569) 2.185 2.880 ( 2.460 -2.444 1.522) 3.787 2.898 ( -0.939 4.974 6.288) 8.072 2.988 ( -3.444 -1.004 1.911) 4.065 3.101 ( -3.582 2.297 2.388) 4.880 3.143 ( -4.190 -1.192 -0.752) 4.421 3.168 ( -3.677 2.980 -2.278) 5.253 3.230 ( 1.627 -0.369 -1.576) 2.295 3.376 ( 2.969 4.526 2.631) 6.018 3.440 ( 5.288 -3.552 0.807) 6.421 3.524 ( -5.809 4.454 2.653) 7.786 3.617 ( -6.103 -5.320 4.323) 9.178 3.710 ( -4.449 0.906 -1.688) 4.844 3.759 ( -3.491 -3.072 -3.916) 6.079 3.923 ( -0.459 4.650 0.157) 4.675 4.039 ( 0.160 -6.232 2.453) 6.700 4.145 ( 0.435 8.433 -1.670) 8.608 4.303 ( -0.180 -6.276 0.756) 6.324 4.401 ( 1.059 3.922 -3.664) 5.470 4.416 ( 3.108 0.914 1.401) 3.529 4.473 ( 1.599 -0.648 -2.689) 3.195 4.548 ( 1.388 -5.318 -4.754) 7.267 4.900 ( 4.736 5.258 1.884) 7.323 4.983 ( 11.786 -2.902 0.051) 12.138 5.068 ( 8.512 4.752 -0.531) 9.763 5.151 ( 6.906 -2.883 1.354) 7.605 5.178 ( 3.330 0.815 2.013) 3.976 5.221 ( 0.727 -3.173 0.739) 3.338 5.344 ( -1.049 3.250 -4.057) 5.303 5.416 ( 1.146 -3.595 -6.298) 7.341 5.792 ( -3.175 4.686 3.460) 6.634 5.878 ( -1.917 -2.442 1.170) 3.317 5.907 ( -2.703 1.847 -3.315) 4.659 5.989 ( 0.886 -5.378 -2.602) 6.040 6.620 ( -1.485 9.674 -1.829) 9.957 6.720 ( -10.132 2.782 0.339) 10.513 6.934 ( -3.111 7.415 -0.732) 8.074 7.075 ( -12.035 -4.715 0.799) 12.950 7.551 ( 0.364 11.452 4.611) 12.351 7.682 ( 0.616 9.416 0.497) 9.449 7.784 ( 0.840 -3.886 3.912) 5.578 7.906 ( 0.524 -2.848 0.426) 2.927 8.096 ( 2.249 5.383 6.047) 8.402 8.132 ( 0.428 4.429 6.312) 7.722 8.183 ( 3.397 8.381 2.504) 9.384 8.217 ( 1.964 13.558 1.887) 13.829 8.330 ( 5.676 11.944 -0.195) 13.226 8.396 ( 4.134 -4.673 -1.566) 6.433 8.464 ( 5.608 -12.518 0.373) 13.721 8.487 ( 1.606 2.584 -2.458) 3.911 8.726 ( -0.125 8.772 -2.879) 9.233 8.904 ( -2.306 -6.660 -7.888) 10.578 8.958 ( -3.733 2.629 -4.908) 6.704 9.106 ( -5.238 -10.489 -1.233) 11.789 9.970 ( 1.417 9.843 -0.257) 9.948 10.021 ( 0.717 12.355 -0.237) 12.378 10.110 ( 0.791 1.106 4.611) 4.808 10.252 ( 0.989 -5.453 -2.669) 6.151 10.541 ( -3.838 14.819 3.878) 15.792 10.600 ( -4.783 10.178 -4.212) 12.009 10.717 ( -0.717 1.658 -0.952) 2.041 10.765 ( -0.253 -4.517 1.018) 4.637 11.082 ( 0.028 6.502 0.030) 6.502 11.192 ( 4.117 8.728 1.354) 9.745 11.280 ( -2.774 -9.553 2.006) 10.148 11.391 ( -3.974 -6.495 -2.589) 8.042 11.751 ( 2.102 -5.319 0.240) 5.725 11.771 ( 3.077 -7.007 -1.947) 7.897 11.866 ( 6.802 -0.838 2.560) 7.316 11.950 ( 5.632 -7.813 -0.654) 9.653 12.156 ( -2.112 -0.498 -0.633) 2.260 12.194 ( -0.108 -4.911 0.274) 4.919 12.291 ( -3.239 -4.497 0.828) 5.603 12.323 ( -3.319 -6.910 0.450) 7.679 12.816 ( 1.140 3.230 -0.848) 3.529 12.854 ( -1.347 -1.865 -0.364) 2.329 12.956 ( 1.657 -4.615 1.190) 5.046 12.970 ( 0.682 -7.564 -1.132) 7.679 13.013 ( 0.718 1.012 1.573) 2.004 13.035 ( -0.674 -3.436 2.723) 4.436 13.128 ( -0.364 -2.037 -0.230) 2.082 13.187 ( 1.301 -7.155 -2.033) 7.551 13.459 ( -1.144 2.802 1.248) 3.274 13.581 ( -2.893 5.570 -2.443) 6.735 13.646 ( -1.105 -13.931 1.434) 14.048 13.787 ( -3.802 -13.895 -1.608) 14.495 14.220 ( 0.786 0.472 0.581) 1.085 14.246 ( 0.604 -0.123 -0.678) 0.916 14.254 ( 2.061 -2.383 -0.061) 3.151 14.277 ( 0.809 -3.543 0.072) 3.635 17.538 ( -0.476 14.950 3.828) 15.439 17.713 ( 0.542 12.693 -4.163) 13.369 17.754 ( -0.164 -6.815 2.833) 7.382 17.902 ( -0.301 -6.279 -3.275) 7.089 20.321 ( 3.739 26.165 0.415) 26.434 20.326 ( 3.328 24.329 -0.343) 24.558 20.487 ( -2.754 11.604 0.467) 11.936 20.521 ( -3.319 10.950 -0.399) 11.449 20.771 ( -3.883 -9.285 0.768) 10.093 20.812 ( -3.848 -9.611 -0.818) 10.385 20.943 ( 2.318 -21.585 0.873) 21.727 20.992 ( 1.869 -21.106 -0.757) 21.202 22.592 ( 2.234 7.099 0.796) 7.485 22.646 ( 1.052 7.022 -1.190) 7.199 22.723 ( 0.630 -5.290 1.572) 5.554 22.784 ( 0.305 -6.144 -1.155) 6.259 27.619 ( -0.178 3.601 0.751) 3.683 27.641 ( -0.345 1.690 0.639) 1.839 27.779 ( 0.454 5.016 0.603) 5.073 27.850 ( 0.356 -1.756 -1.954) 2.651 28.503 ( -0.608 3.071 -0.181) 3.136 28.528 ( 0.955 2.153 0.571) 2.423 28.537 ( -0.875 0.648 -0.521) 1.207 28.564 ( 0.386 -0.433 0.055) 0.582 29.129 ( -0.519 3.043 0.378) 3.110 29.157 ( 0.133 0.212 -0.462) 0.526 29.185 ( -0.121 -2.271 0.471) 2.323 29.197 ( -0.123 -3.554 -0.263) 3.566 29.524 ( 0.794 5.942 1.282) 6.130 29.551 ( -0.054 3.512 0.770) 3.596 29.613 ( 0.413 3.588 -1.441) 3.889 29.616 ( -0.454 2.785 -0.526) 2.871 30.059 ( 0.036 2.780 0.646) 2.854 30.106 ( 0.639 -1.576 -1.077) 2.012 30.211 ( 0.889 1.658 0.596) 1.974 30.260 ( 0.239 -2.726 -0.075) 2.738 30.336 ( -0.557 0.203 -0.155) 0.613 30.359 ( -0.286 2.630 -0.812) 2.767 30.406 ( -1.495 -5.800 1.588) 6.196 30.480 ( 0.151 -7.592 -0.395) 7.604 30.685 ( -0.064 0.773 0.643) 1.007 30.730 ( -0.068 2.418 -0.758) 2.535 30.760 ( 0.203 -6.222 1.564) 6.419 30.804 ( 0.290 -4.710 -1.071) 4.839 31.812 ( -0.281 1.451 0.350) 1.519 31.839 ( -0.256 1.831 -0.828) 2.026 31.877 ( -0.646 -4.218 1.691) 4.590 31.956 ( -0.004 -9.328 -1.603) 9.465 ======================= Grid point 99 (43/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -1.184 0.000 0.221) 1.205 0.967 ( 1.184 0.000 -0.221) 1.205 1.049 ( -8.627 0.000 -2.899) 9.101 1.049 ( 8.627 0.000 2.899) 9.101 1.627 ( 5.191 0.000 -5.464) 7.536 1.627 ( -5.191 0.000 5.464) 7.536 1.828 ( -2.430 0.000 -31.836) 31.929 1.828 ( 2.430 0.000 31.836) 31.929 1.944 ( -3.558 0.000 0.775) 3.641 1.944 ( 3.558 0.000 -0.775) 3.641 1.984 ( -0.290 0.000 -12.359) 12.363 1.984 ( 0.290 0.000 12.359) 12.363 2.136 ( 1.040 0.000 -2.952) 3.129 2.136 ( -1.040 0.000 2.952) 3.129 2.210 ( 5.112 0.000 -5.409) 7.443 2.210 ( -5.112 0.000 5.409) 7.443 2.393 ( -0.096 0.000 -1.359) 1.363 2.393 ( 0.096 0.000 1.359) 1.363 2.657 ( 5.133 0.000 -3.553) 6.242 2.657 ( -5.133 0.000 3.553) 6.242 2.797 ( -5.729 0.000 -2.231) 6.148 2.797 ( 5.729 0.000 2.231) 6.148 2.960 ( 3.085 0.000 -2.969) 4.282 2.960 ( -3.085 0.000 2.969) 4.282 3.024 ( -2.201 0.000 -0.962) 2.403 3.024 ( 2.201 0.000 0.962) 2.403 3.100 ( 2.279 0.000 -2.332) 3.261 3.100 ( -2.279 0.000 2.332) 3.261 3.287 ( -1.751 0.000 0.321) 1.780 3.287 ( 1.751 0.000 -0.321) 1.780 3.365 ( 5.539 0.000 -5.166) 7.574 3.365 ( -5.539 0.000 5.166) 7.574 3.544 ( -3.571 0.000 -0.798) 3.659 3.544 ( 3.571 0.000 0.798) 3.659 3.868 ( 0.200 0.000 -8.566) 8.568 3.868 ( -0.200 0.000 8.566) 8.568 4.088 ( -12.547 0.000 -6.847) 14.293 4.088 ( 12.547 0.000 6.847) 14.293 4.452 ( -3.805 0.000 -0.441) 3.830 4.452 ( 3.805 0.000 0.441) 3.830 4.554 ( -1.276 0.000 -9.479) 9.564 4.554 ( 1.276 0.000 9.479) 9.564 4.954 ( 19.478 0.000 -11.351) 22.544 4.954 ( -19.478 0.000 11.351) 22.544 5.277 ( -13.829 0.000 -1.238) 13.885 5.277 ( 13.829 0.000 1.238) 13.885 5.423 ( -5.604 0.000 -2.337) 6.071 5.423 ( 5.604 0.000 2.337) 6.071 5.848 ( 6.239 0.000 -6.092) 8.720 5.848 ( -6.239 0.000 6.092) 8.720 5.953 ( -8.002 0.000 0.968) 8.060 5.953 ( 8.002 0.000 -0.968) 8.060 6.374 ( -1.810 0.000 -3.308) 3.771 6.374 ( 1.810 0.000 3.308) 3.771 6.539 ( 7.359 0.000 -7.106) 10.230 6.539 ( -7.359 0.000 7.106) 10.230 6.813 ( 7.003 0.000 -3.678) 7.910 6.813 ( -7.003 0.000 3.678) 7.910 7.077 ( 3.096 0.000 -5.796) 6.571 7.077 ( -3.096 0.000 5.796) 6.571 7.398 ( -2.619 0.000 -1.540) 3.038 7.398 ( 2.619 0.000 1.540) 3.038 7.930 ( 0.980 0.000 -5.978) 6.058 7.930 ( -0.980 0.000 5.978) 6.058 8.191 ( 3.943 0.000 -6.091) 7.256 8.191 ( -3.943 0.000 6.091) 7.256 8.450 ( 5.728 0.000 -3.353) 6.637 8.450 ( -5.728 0.000 3.353) 6.637 8.638 ( 4.207 0.000 -4.876) 6.440 8.638 ( -4.207 0.000 4.876) 6.440 8.971 ( -2.261 0.000 -3.734) 4.365 8.971 ( 2.261 0.000 3.734) 4.365 9.316 ( 4.482 0.000 -3.067) 5.430 9.316 ( -4.482 0.000 3.067) 5.430 9.482 ( 2.192 0.000 -3.475) 4.109 9.482 ( -2.192 0.000 3.475) 4.109 10.182 ( -0.953 0.000 -1.435) 1.722 10.182 ( 0.953 0.000 1.435) 1.722 10.432 ( -0.040 0.000 -2.590) 2.590 10.432 ( 0.040 0.000 2.590) 2.590 11.029 ( 0.133 0.000 -2.288) 2.291 11.029 ( -0.133 0.000 2.288) 2.291 11.140 ( 7.563 0.000 -4.200) 8.650 11.140 ( -7.563 0.000 4.200) 8.650 11.381 ( -7.358 0.000 -3.724) 8.247 11.381 ( 7.358 0.000 3.724) 8.247 12.302 ( 1.701 0.000 -6.431) 6.652 12.302 ( -1.701 0.000 6.431) 6.652 12.558 ( -8.069 0.000 -2.502) 8.448 12.558 ( 8.069 0.000 2.502) 8.448 12.920 ( -1.056 0.000 -0.602) 1.216 12.920 ( 1.056 0.000 0.602) 1.216 13.189 ( -7.872 0.000 2.332) 8.210 13.189 ( 7.872 0.000 -2.332) 8.210 13.550 ( 1.546 0.000 -2.173) 2.667 13.550 ( -1.546 0.000 2.173) 2.667 13.681 ( -7.507 0.000 0.416) 7.519 13.681 ( 7.507 0.000 -0.416) 7.519 14.204 ( -2.630 0.000 -1.418) 2.987 14.204 ( 2.630 0.000 1.418) 2.987 14.407 ( -4.672 0.000 -0.853) 4.749 14.407 ( 4.672 0.000 0.853) 4.749 14.770 ( -0.094 0.000 -1.857) 1.860 14.770 ( 0.094 0.000 1.857) 1.860 15.195 ( 0.371 0.000 -1.116) 1.177 15.195 ( -0.371 0.000 1.116) 1.177 15.341 ( -3.301 0.000 -0.103) 3.302 15.341 ( 3.301 0.000 0.103) 3.302 15.660 ( 1.727 0.000 -2.480) 3.022 15.660 ( -1.727 0.000 2.480) 3.022 17.094 ( -4.373 0.000 -0.231) 4.379 17.094 ( 4.373 0.000 0.231) 4.379 18.250 ( 0.965 0.000 -3.834) 3.954 18.250 ( -0.965 0.000 3.834) 3.954 20.553 ( 2.602 0.000 -2.471) 3.589 20.553 ( -2.602 0.000 2.471) 3.589 21.440 ( 0.997 0.000 -0.356) 1.059 21.440 ( -0.997 0.000 0.356) 1.059 21.909 ( -0.834 0.000 -3.199) 3.306 21.909 ( 0.834 0.000 3.199) 3.306 22.024 ( -5.091 0.000 0.959) 5.180 22.024 ( 5.091 0.000 -0.959) 5.180 22.396 ( -0.712 0.000 0.209) 0.742 22.396 ( 0.712 0.000 -0.209) 0.742 27.154 ( -1.871 0.000 -3.232) 3.735 27.154 ( 1.871 0.000 3.232) 3.735 27.338 ( -3.206 0.000 0.211) 3.212 27.338 ( 3.206 0.000 -0.211) 3.212 27.442 ( 0.631 0.000 -0.771) 0.997 27.442 ( -0.631 0.000 0.771) 0.997 27.589 ( -2.357 0.000 -1.144) 2.620 27.589 ( 2.357 0.000 1.144) 2.620 28.707 ( -1.332 0.000 0.086) 1.335 28.707 ( 1.332 0.000 -0.086) 1.335 28.740 ( 2.174 0.000 -1.282) 2.524 28.740 ( -2.174 0.000 1.282) 2.524 29.394 ( -0.360 0.000 -2.539) 2.564 29.394 ( 0.360 0.000 2.539) 2.564 29.728 ( 4.149 0.000 -5.546) 6.926 29.728 ( -4.149 0.000 5.546) 6.926 29.783 ( -0.722 0.000 -3.048) 3.133 29.783 ( 0.722 0.000 3.048) 3.133 29.883 ( 0.929 0.000 -1.524) 1.785 29.883 ( -0.929 0.000 1.524) 1.785 30.877 ( -3.880 0.000 0.616) 3.928 30.877 ( 3.880 0.000 -0.616) 3.928 30.988 ( -1.152 0.000 -2.418) 2.679 30.988 ( 1.152 0.000 2.418) 2.679 31.166 ( 8.631 0.000 -5.811) 10.405 31.166 ( -8.631 0.000 5.811) 10.405 31.625 ( -11.248 0.000 -7.728) 13.647 31.625 ( 11.248 0.000 7.728) 13.647 32.229 ( -6.132 0.000 -2.946) 6.803 32.229 ( 6.132 0.000 2.946) 6.803 33.928 ( -8.114 0.000 -2.396) 8.460 33.928 ( 8.114 0.000 2.396) 8.460 ======================= Grid point 101 (44/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 10.912 0.000 -20.674) 23.377 1.058 ( 9.187 0.000 -6.673) 11.354 1.157 ( 12.255 0.000 19.738) 23.233 1.257 ( 8.130 0.000 10.172) 13.022 1.502 ( -7.529 0.000 7.017) 10.292 1.624 ( -6.275 0.000 -4.970) 8.005 1.732 ( -12.923 0.000 -13.379) 18.601 1.794 ( -13.785 0.000 -1.280) 13.845 1.951 ( 7.879 0.000 -25.357) 26.553 1.995 ( 4.296 0.000 1.771) 4.647 2.059 ( 5.646 0.000 -7.032) 9.018 2.079 ( 8.964 0.000 15.586) 17.979 2.087 ( 3.069 0.000 9.913) 10.378 2.177 ( 3.527 0.000 7.388) 8.187 2.246 ( 5.469 0.000 9.486) 10.950 2.277 ( 0.691 0.000 -4.067) 4.125 2.408 ( 2.107 0.000 5.441) 5.835 2.442 ( 4.420 0.000 -0.384) 4.437 2.592 ( -0.542 0.000 6.018) 6.043 2.700 ( -0.149 0.000 -10.099) 10.101 2.759 ( 0.163 0.000 5.349) 5.351 2.808 ( -6.877 0.000 1.447) 7.028 2.927 ( -6.801 0.000 -2.701) 7.318 3.003 ( 6.426 0.000 2.077) 6.753 3.013 ( 1.291 0.000 -6.636) 6.761 3.056 ( 1.033 0.000 -0.267) 1.067 3.070 ( -0.333 0.000 2.228) 2.253 3.141 ( -1.634 0.000 -11.198) 11.317 3.202 ( -4.131 0.000 3.009) 5.111 3.220 ( -5.325 0.000 4.166) 6.761 3.291 ( -3.529 0.000 -0.804) 3.620 3.427 ( 2.130 0.000 -4.311) 4.808 3.497 ( -0.912 0.000 1.259) 1.554 3.530 ( -7.933 0.000 6.785) 10.439 3.730 ( -1.387 0.000 -3.543) 3.805 3.798 ( -2.760 0.000 -2.384) 3.647 4.100 ( 6.340 0.000 -3.796) 7.390 4.263 ( -4.543 0.000 4.825) 6.628 4.448 ( 2.789 0.000 -0.918) 2.936 4.487 ( -0.853 0.000 3.385) 3.490 4.560 ( -1.746 0.000 -3.500) 3.911 4.663 ( 7.071 0.000 2.101) 7.376 4.740 ( 8.878 0.000 2.279) 9.166 4.868 ( -4.548 0.000 -1.568) 4.810 5.117 ( -8.685 0.000 -1.046) 8.748 5.550 ( -1.780 0.000 -0.453) 1.837 5.605 ( 8.532 0.000 -6.412) 10.673 5.619 ( 5.742 0.000 12.758) 13.991 5.653 ( 0.485 0.000 -2.439) 2.487 5.846 ( 4.736 0.000 -4.816) 6.755 5.926 ( 1.546 0.000 -8.095) 8.242 6.131 ( 6.849 0.000 -0.137) 6.850 6.334 ( -1.101 0.000 1.178) 1.612 6.388 ( -1.181 0.000 3.957) 4.130 6.444 ( -1.337 0.000 2.505) 2.840 6.642 ( 0.519 0.000 -4.631) 4.660 6.677 ( -3.368 0.000 -2.399) 4.135 6.880 ( -0.569 0.000 3.606) 3.650 6.998 ( -3.121 0.000 4.529) 5.500 7.084 ( -1.440 0.000 -5.993) 6.163 7.300 ( -5.239 0.000 -1.954) 5.591 7.335 ( -8.351 0.000 2.508) 8.720 7.954 ( 2.044 0.000 -5.566) 5.930 7.966 ( 3.922 0.000 3.702) 5.393 8.133 ( -1.376 0.000 3.931) 4.165 8.249 ( 2.395 0.000 -5.741) 6.220 8.320 ( -4.722 0.000 2.739) 5.459 8.385 ( -8.770 0.000 2.209) 9.044 8.687 ( 4.897 0.000 2.443) 5.472 8.725 ( 3.280 0.000 -5.534) 6.433 8.867 ( -5.434 0.000 -1.847) 5.739 8.915 ( -6.642 0.000 5.326) 8.514 9.287 ( 0.789 0.000 0.078) 0.793 9.391 ( 0.818 0.000 -0.585) 1.005 9.478 ( 2.276 0.000 3.624) 4.279 9.521 ( 2.250 0.000 -5.182) 5.649 10.123 ( -2.686 0.000 -0.656) 2.765 10.161 ( -2.192 0.000 1.185) 2.492 10.453 ( 1.660 0.000 -2.594) 3.080 10.457 ( 1.308 0.000 2.769) 3.062 11.011 ( -1.412 0.000 1.368) 1.966 11.036 ( -0.428 0.000 1.063) 1.146 11.121 ( 3.876 0.000 0.711) 3.940 11.235 ( -3.459 0.000 -4.629) 5.778 11.315 ( 6.773 0.000 -2.691) 7.288 11.471 ( 0.153 0.000 4.805) 4.807 12.260 ( -3.407 0.000 -5.368) 6.358 12.263 ( -2.441 0.000 8.134) 8.492 12.480 ( 2.557 0.000 -2.766) 3.767 12.618 ( -1.697 0.000 4.811) 5.101 12.953 ( 3.401 0.000 0.475) 3.434 12.987 ( 3.951 0.000 -1.549) 4.243 13.144 ( 0.747 0.000 -0.663) 0.999 13.314 ( -5.375 0.000 2.265) 5.833 13.516 ( 5.239 0.000 -1.538) 5.460 13.538 ( -0.653 0.000 0.710) 0.964 13.658 ( 4.128 0.000 -0.808) 4.207 13.813 ( 2.494 0.000 1.986) 3.188 14.192 ( 2.231 0.000 -3.718) 4.336 14.234 ( 0.019 0.000 1.468) 1.468 14.389 ( 3.293 0.000 -2.177) 3.948 14.520 ( 3.092 0.000 8.770) 9.299 14.753 ( -0.828 0.000 -1.798) 1.979 14.759 ( -1.032 0.000 0.793) 1.302 15.190 ( -0.032 0.000 1.396) 1.396 15.204 ( 0.850 0.000 -1.573) 1.787 15.275 ( -2.618 0.000 1.659) 3.099 15.328 ( -4.748 0.000 1.586) 5.006 15.699 ( 3.835 0.000 3.444) 5.154 15.713 ( 2.741 0.000 -2.573) 3.760 17.135 ( 7.755 0.000 0.058) 7.755 17.236 ( 7.005 0.000 -0.609) 7.031 18.185 ( -4.633 0.000 2.127) 5.098 18.200 ( -4.569 0.000 -2.526) 5.221 20.563 ( 3.057 0.000 0.774) 3.153 20.621 ( 2.975 0.000 -2.788) 4.077 21.410 ( -1.597 0.000 0.129) 1.603 21.435 ( -1.746 0.000 0.029) 1.747 21.793 ( -6.686 0.000 2.567) 7.162 21.827 ( -4.820 0.000 -1.705) 5.113 22.033 ( 2.642 0.000 3.505) 4.389 22.105 ( 1.551 0.000 -2.388) 2.847 22.359 ( -2.176 0.000 2.336) 3.192 22.364 ( -2.790 0.000 -1.574) 3.204 27.104 ( -2.092 0.000 -2.016) 2.905 27.135 ( -3.843 0.000 2.306) 4.482 27.306 ( 1.150 0.000 4.173) 4.329 27.375 ( 0.565 0.000 0.123) 0.578 27.431 ( -0.520 0.000 1.014) 1.140 27.449 ( -0.094 0.000 -0.964) 0.969 27.524 ( -2.361 0.000 1.276) 2.684 27.546 ( -4.500 0.000 -5.065) 6.776 28.704 ( 0.276 0.000 0.335) 0.434 28.714 ( -0.142 0.000 -0.011) 0.142 28.808 ( 6.066 0.000 -6.418) 8.831 28.856 ( 6.038 0.000 3.233) 6.850 29.412 ( 2.165 0.000 -2.163) 3.061 29.428 ( 2.267 0.000 3.445) 4.124 29.647 ( -4.577 0.000 6.547) 7.988 29.678 ( -5.009 0.000 1.620) 5.265 29.691 ( -3.484 0.000 0.121) 3.486 29.768 ( -1.148 0.000 -9.535) 9.604 29.964 ( 4.479 0.000 -4.089) 6.064 29.979 ( 4.762 0.000 5.048) 6.939 30.801 ( -0.972 0.000 2.504) 2.686 30.917 ( 1.478 0.000 -0.305) 1.509 30.956 ( -4.365 0.000 -0.511) 4.395 31.009 ( 0.562 0.000 -0.923) 1.081 31.134 ( 3.384 0.000 4.842) 5.907 31.358 ( -1.839 0.000 -0.092) 1.841 31.627 ( 17.091 0.000 4.010) 17.555 31.927 ( 15.669 0.000 5.344) 16.555 32.125 ( -3.213 0.000 -0.996) 3.364 32.378 ( 7.201 0.000 0.471) 7.217 33.554 ( -19.893 0.000 -18.998) 27.507 33.802 ( -17.619 0.000 5.476) 18.451 ======================= Grid point 102 (45/60) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 1.828 0.000 -1.932) 2.660 1.264 ( -1.828 0.000 1.932) 2.660 1.331 ( 0.052 0.000 -4.640) 4.640 1.331 ( -0.052 0.000 4.640) 4.640 1.470 ( -13.071 0.000 -9.504) 16.161 1.470 ( 13.071 0.000 9.504) 16.161 1.476 ( -1.871 0.000 -14.147) 14.270 1.476 ( 1.871 0.000 14.147) 14.270 2.053 ( 0.678 0.000 -4.980) 5.026 2.053 ( -0.678 0.000 4.980) 5.026 2.131 ( 2.201 0.000 -6.435) 6.801 2.131 ( -2.201 0.000 6.435) 6.801 2.196 ( 3.830 0.000 -5.248) 6.497 2.196 ( -3.830 0.000 5.248) 6.497 2.292 ( 1.133 0.000 -2.945) 3.155 2.292 ( -1.133 0.000 2.945) 3.155 2.524 ( 0.507 0.000 -3.638) 3.673 2.524 ( -0.507 0.000 3.638) 3.673 2.678 ( 5.377 0.000 -3.750) 6.556 2.678 ( -5.377 0.000 3.750) 6.556 2.703 ( -2.796 0.000 -6.604) 7.172 2.703 ( 2.796 0.000 6.604) 7.172 2.874 ( -11.768 0.000 -16.104) 19.945 2.874 ( 11.768 0.000 16.104) 19.945 3.068 ( -0.905 0.000 -0.489) 1.029 3.068 ( 0.905 0.000 0.489) 1.029 3.116 ( -3.813 0.000 -0.011) 3.813 3.116 ( 3.813 0.000 0.011) 3.813 3.131 ( 0.307 0.000 -1.001) 1.047 3.131 ( -0.307 0.000 1.001) 1.047 3.331 ( 8.016 0.000 -6.390) 10.251 3.331 ( -8.016 0.000 6.390) 10.251 3.503 ( 0.333 0.000 -4.208) 4.221 3.503 ( -0.333 0.000 4.208) 4.221 3.755 ( 2.391 0.000 -2.353) 3.354 3.755 ( -2.391 0.000 2.353) 3.354 4.168 ( 1.961 0.000 -5.707) 6.035 4.168 ( -1.961 0.000 5.707) 6.035 4.476 ( -0.075 0.000 -0.635) 0.639 4.476 ( 0.075 0.000 0.635) 0.639 4.629 ( -6.674 0.000 1.466) 6.833 4.629 ( 6.674 0.000 -1.466) 6.833 4.888 ( -10.628 0.000 -5.159) 11.814 4.888 ( 10.628 0.000 5.159) 11.814 5.221 ( -20.055 0.000 -6.700) 21.144 5.221 ( 20.055 0.000 6.700) 21.144 5.618 ( -0.351 0.000 -2.235) 2.262 5.618 ( 0.351 0.000 2.235) 2.262 5.855 ( -4.618 0.000 -12.716) 13.528 5.855 ( 4.618 0.000 12.716) 13.528 6.095 ( 10.040 0.000 -4.911) 11.177 6.095 ( -10.040 0.000 4.911) 11.177 6.347 ( 2.358 0.000 -2.826) 3.681 6.347 ( -2.358 0.000 2.826) 3.681 6.523 ( -8.093 0.000 1.223) 8.185 6.523 ( 8.093 0.000 -1.223) 8.185 6.777 ( 10.690 0.000 -7.138) 12.853 6.777 ( -10.690 0.000 7.138) 12.853 7.018 ( -3.661 0.000 -5.121) 6.295 7.018 ( 3.661 0.000 5.121) 6.295 7.230 ( -0.106 0.000 -1.170) 1.175 7.230 ( 0.106 0.000 1.170) 1.175 7.993 ( 1.929 0.000 -5.238) 5.582 7.993 ( -1.929 0.000 5.238) 5.582 8.208 ( -7.457 0.000 -0.129) 7.458 8.208 ( 7.457 0.000 0.129) 7.458 8.281 ( 0.534 0.000 -1.008) 1.141 8.281 ( -0.534 0.000 1.008) 1.141 8.737 ( -0.383 0.000 -5.017) 5.032 8.737 ( 0.383 0.000 5.017) 5.032 8.825 ( 1.731 0.000 -3.982) 4.342 8.825 ( -1.731 0.000 3.982) 4.342 9.340 ( 4.261 0.000 -2.295) 4.840 9.340 ( -4.261 0.000 2.295) 4.840 9.534 ( -1.117 0.000 -5.313) 5.429 9.534 ( 1.117 0.000 5.313) 5.429 10.118 ( 1.779 0.000 -1.211) 2.152 10.118 ( -1.779 0.000 1.211) 2.152 10.471 ( 0.314 0.000 -2.601) 2.619 10.471 ( -0.314 0.000 2.601) 2.619 11.008 ( -1.065 0.000 -1.963) 2.233 11.008 ( 1.065 0.000 1.963) 2.233 11.192 ( -2.045 0.000 -1.437) 2.499 11.192 ( 2.045 0.000 1.437) 2.499 11.423 ( 4.482 0.000 -4.618) 6.436 11.423 ( -4.482 0.000 4.618) 6.436 12.234 ( 1.183 0.000 -8.410) 8.493 12.234 ( -1.183 0.000 8.410) 8.493 12.558 ( 4.327 0.000 -4.314) 6.110 12.558 ( -4.327 0.000 4.314) 6.110 13.018 ( -1.559 0.000 -1.029) 1.868 13.018 ( 1.559 0.000 1.029) 1.868 13.183 ( 4.568 0.000 -2.330) 5.128 13.183 ( -4.568 0.000 2.330) 5.128 13.548 ( -0.876 0.000 -1.468) 1.710 13.548 ( 0.876 0.000 1.468) 1.710 13.784 ( 5.277 0.000 -3.462) 6.311 13.784 ( -5.277 0.000 3.462) 6.311 14.223 ( 1.072 0.000 -2.136) 2.390 14.223 ( -1.072 0.000 2.136) 2.390 14.499 ( 5.727 0.000 -9.050) 10.710 14.499 ( -5.727 0.000 9.050) 10.710 14.746 ( 0.158 0.000 -0.080) 0.177 14.746 ( -0.158 0.000 0.080) 0.177 15.213 ( -1.315 0.000 -2.093) 2.472 15.213 ( 1.315 0.000 2.093) 2.472 15.245 ( -0.647 0.000 -0.257) 0.696 15.245 ( 0.647 0.000 0.257) 0.696 15.743 ( 0.158 0.000 -2.980) 2.984 15.743 ( -0.158 0.000 2.980) 2.984 17.282 ( -3.622 0.000 0.265) 3.631 17.282 ( 3.622 0.000 -0.265) 3.631 18.132 ( -0.495 0.000 -0.168) 0.523 18.132 ( 0.495 0.000 0.168) 0.523 20.628 ( -2.104 0.000 -0.650) 2.202 20.628 ( 2.104 0.000 0.650) 2.202 21.397 ( -0.813 0.000 -0.003) 0.813 21.397 ( 0.813 0.000 0.003) 0.813 21.752 ( -1.708 0.000 -0.973) 1.966 21.752 ( 1.708 0.000 0.973) 1.966 22.088 ( -2.110 0.000 -4.260) 4.754 22.088 ( 2.110 0.000 4.260) 4.754 22.334 ( 0.337 0.000 -2.685) 2.706 22.334 ( -0.337 0.000 2.685) 2.706 27.085 ( 0.773 0.000 -1.581) 1.760 27.085 ( -0.773 0.000 1.581) 1.760 27.356 ( -2.361 0.000 -3.494) 4.217 27.356 ( 2.361 0.000 3.494) 4.217 27.430 ( -0.551 0.000 -2.300) 2.365 27.430 ( 0.551 0.000 2.300) 2.365 27.501 ( 0.342 0.000 -3.168) 3.187 27.501 ( -0.342 0.000 3.168) 3.187 28.710 ( -0.264 0.000 -0.267) 0.375 28.710 ( 0.264 0.000 0.267) 0.375 28.895 ( 2.600 0.000 -7.395) 7.838 28.895 ( -2.600 0.000 7.395) 7.838 29.452 ( 1.209 0.000 -2.453) 2.735 29.452 ( -1.209 0.000 2.453) 2.735 29.610 ( -1.426 0.000 -0.479) 1.504 29.610 ( 1.426 0.000 0.479) 1.504 29.699 ( -2.826 0.000 -7.866) 8.358 29.699 ( 2.826 0.000 7.866) 8.358 30.023 ( 1.144 0.000 -5.263) 5.386 30.023 ( -1.144 0.000 5.263) 5.386 30.844 ( -4.302 0.000 -3.064) 5.282 30.844 ( 4.302 0.000 3.064) 5.282 30.973 ( -2.636 0.000 -2.140) 3.396 30.973 ( 2.636 0.000 2.140) 3.396 31.257 ( -6.249 0.000 -3.305) 7.069 31.257 ( 6.249 0.000 3.305) 7.069 31.931 ( -9.607 0.000 -11.169) 14.732 31.931 ( 9.607 0.000 11.169) 14.732 32.332 ( -13.426 0.000 -9.192) 16.271 32.332 ( 13.426 0.000 9.192) 16.271 33.443 ( 13.269 0.000 -16.618) 21.266 33.443 ( -13.269 0.000 16.618) 21.266 ======================= Grid point 105 (46/60) ======================= q-point: ( 0.00 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -10.418 8.841 -22.295) 26.149 1.097 ( 10.418 8.841 22.295) 26.149 1.204 ( -0.705 15.056 -21.200) 26.012 1.204 ( 0.705 15.056 21.200) 26.012 1.716 ( 0.252 4.978 -7.369) 8.897 1.716 ( -0.252 4.978 7.369) 8.897 1.797 ( -5.549 -2.373 -5.736) 8.326 1.797 ( 5.549 -2.373 5.736) 8.326 1.967 ( -4.328 2.063 -6.981) 8.469 1.967 ( 4.328 2.063 6.981) 8.469 2.032 ( 1.533 7.906 -16.957) 18.773 2.032 ( -1.533 7.906 16.957) 18.773 2.159 ( -5.741 2.970 -3.856) 7.527 2.159 ( 5.741 2.970 3.856) 7.527 2.321 ( 0.668 10.164 -9.481) 13.915 2.321 ( -0.668 10.164 9.481) 13.915 2.506 ( 0.818 7.679 -3.002) 8.285 2.506 ( -0.818 7.679 3.002) 8.285 2.673 ( 2.175 1.328 -3.557) 4.376 2.673 ( -2.175 1.328 3.557) 4.376 2.818 ( -4.888 1.267 -1.654) 5.314 2.818 ( 4.888 1.267 1.654) 5.314 3.048 ( -0.271 5.747 -3.517) 6.744 3.048 ( 0.271 5.747 3.517) 6.744 3.101 ( 1.806 1.227 -4.657) 5.143 3.101 ( -1.806 1.227 4.657) 5.143 3.226 ( 0.528 10.935 -4.179) 11.718 3.226 ( -0.528 10.935 4.179) 11.718 3.343 ( 5.259 10.249 -3.472) 12.031 3.343 ( -5.259 10.249 3.472) 12.031 3.454 ( -4.719 10.376 -2.342) 11.637 3.454 ( 4.719 10.376 2.342) 11.637 3.570 ( 3.865 5.616 -4.450) 8.141 3.570 ( -3.865 5.616 4.450) 8.141 3.883 ( 2.484 2.819 -6.919) 7.874 3.883 ( -2.484 2.819 6.919) 7.874 4.129 ( -7.347 4.033 -7.086) 10.975 4.129 ( 7.347 4.033 7.086) 10.975 4.384 ( -1.951 -4.764 -2.195) 5.596 4.384 ( 1.951 -4.764 2.195) 5.596 4.590 ( 1.023 1.971 -7.367) 7.695 4.590 ( -1.023 1.971 7.367) 7.695 4.856 ( 15.334 -8.362 -7.826) 19.139 4.856 ( -15.334 -8.362 7.826) 19.139 5.286 ( -11.054 0.354 -1.043) 11.109 5.286 ( 11.054 0.354 1.043) 11.109 5.404 ( -5.528 -1.729 -2.230) 6.207 5.404 ( 5.528 -1.729 2.230) 6.207 5.780 ( -0.364 -6.291 -2.990) 6.975 5.780 ( 0.364 -6.291 2.990) 6.975 5.928 ( -4.768 -0.385 -0.751) 4.842 5.928 ( 4.768 -0.385 0.751) 4.842 6.348 ( -0.130 -2.403 -2.442) 3.428 6.348 ( 0.130 -2.403 2.442) 3.428 6.480 ( 2.503 -1.403 -3.746) 4.718 6.480 ( -2.503 -1.403 3.746) 4.718 6.801 ( 2.853 0.565 -6.408) 7.037 6.801 ( -2.853 0.565 6.408) 7.037 7.156 ( 3.585 5.006 -6.414) 8.891 7.156 ( -3.585 5.006 6.414) 8.891 7.436 ( 0.412 4.493 -2.224) 5.030 7.436 ( -0.412 4.493 2.224) 5.030 8.058 ( 1.005 7.101 -4.333) 8.379 8.058 ( -1.005 7.101 4.333) 8.379 8.214 ( 1.527 3.869 -2.311) 4.758 8.214 ( -1.527 3.869 2.311) 4.758 8.418 ( 2.105 -2.157 -4.039) 5.039 8.418 ( -2.105 -2.157 4.039) 5.039 8.742 ( 3.135 8.391 -3.506) 9.620 8.742 ( -3.135 8.391 3.506) 9.620 8.903 ( 1.798 -4.903 -2.267) 5.693 8.903 ( -1.798 -4.903 2.267) 5.693 9.382 ( -2.236 4.669 -0.118) 5.178 9.382 ( 2.236 4.669 0.118) 5.178 9.531 ( 2.838 6.261 -2.637) 7.363 9.531 ( -2.838 6.261 2.637) 7.363 10.179 ( -3.230 0.171 0.282) 3.247 10.179 ( 3.230 0.171 -0.282) 3.247 10.434 ( 0.060 0.076 -2.547) 2.549 10.434 ( -0.060 0.076 2.547) 2.549 11.029 ( 4.144 -0.910 -2.652) 5.004 11.029 ( -4.144 -0.910 2.652) 5.004 11.195 ( -0.806 5.354 -1.118) 5.529 11.195 ( 0.806 5.354 1.118) 5.529 11.410 ( -7.232 3.506 -5.343) 9.651 11.410 ( 7.232 3.506 5.343) 9.651 12.255 ( 1.560 -2.901 -3.941) 5.136 12.255 ( -1.560 -2.901 3.941) 5.136 12.599 ( -3.851 2.295 -0.484) 4.509 12.599 ( 3.851 2.295 0.484) 4.509 13.003 ( -2.063 5.274 -1.920) 5.980 13.003 ( 2.063 5.274 1.920) 5.980 13.227 ( 1.966 2.076 -4.696) 5.498 13.227 ( -1.966 2.076 4.696) 5.498 13.408 ( 0.262 -12.712 -1.110) 12.763 13.408 ( -0.262 -12.712 1.110) 12.763 13.601 ( -1.350 -6.220 -3.207) 7.127 13.601 ( 1.350 -6.220 3.207) 7.127 14.265 ( -0.446 -1.982 -0.971) 2.252 14.265 ( 0.446 -1.982 0.971) 2.252 14.364 ( -0.390 -1.674 -2.743) 3.237 14.364 ( 0.390 -1.674 2.743) 3.237 14.698 ( 0.367 -7.018 -2.448) 7.442 14.698 ( -0.367 -7.018 2.448) 7.442 15.065 ( 0.043 -13.405 -1.313) 13.469 15.065 ( -0.043 -13.405 1.313) 13.469 15.215 ( -2.732 -12.809 -0.216) 13.099 15.215 ( 2.732 -12.809 0.216) 13.099 15.825 ( -2.088 17.799 -4.459) 18.468 15.825 ( 2.088 17.799 4.459) 18.468 17.158 ( -3.506 7.375 0.505) 8.182 17.158 ( 3.506 7.375 -0.505) 8.182 18.386 ( 1.147 13.649 -3.839) 14.225 18.386 ( -1.147 13.649 3.839) 14.225 20.410 ( 1.387 -12.560 -2.121) 12.813 20.410 ( -1.387 -12.560 2.121) 12.813 21.356 ( 1.588 -6.646 -0.832) 6.883 21.356 ( -1.588 -6.646 0.832) 6.883 21.999 ( -5.045 3.497 -2.765) 6.733 21.999 ( 5.045 3.497 2.765) 6.733 22.055 ( -8.367 5.131 1.194) 9.887 22.055 ( 8.367 5.131 -1.194) 9.887 22.475 ( 0.162 8.169 -2.238) 8.472 22.475 ( -0.162 8.169 2.238) 8.472 27.149 ( -0.626 1.307 -2.627) 3.001 27.149 ( 0.626 1.307 2.627) 3.001 27.357 ( 0.336 3.461 -3.048) 4.624 27.357 ( -0.336 3.461 3.048) 4.624 27.579 ( -0.490 13.101 -0.999) 13.148 27.579 ( 0.490 13.101 0.999) 13.148 27.844 ( -3.554 18.807 -6.948) 20.362 27.844 ( 3.554 18.807 6.948) 20.362 28.760 ( 0.352 3.578 -1.625) 3.946 28.760 ( -0.352 3.578 1.625) 3.946 28.861 ( 3.470 12.530 -4.929) 13.905 28.861 ( -3.470 12.530 4.929) 13.905 29.407 ( -1.034 1.360 -2.646) 3.150 29.407 ( 1.034 1.360 2.646) 3.150 29.695 ( 3.892 -3.552 -5.490) 7.610 29.695 ( -3.892 -3.552 5.490) 7.610 29.778 ( -0.866 -0.290 -1.827) 2.043 29.778 ( 0.866 -0.290 1.827) 2.043 29.901 ( 0.810 2.251 -2.751) 3.646 29.901 ( -0.810 2.251 2.751) 3.646 30.842 ( -3.981 -3.580 0.442) 5.372 30.842 ( 3.981 -3.580 -0.442) 5.372 30.960 ( -0.540 -2.939 -2.852) 4.130 30.960 ( 0.540 -2.939 2.852) 4.130 31.108 ( 4.823 -5.703 -4.808) 8.883 31.108 ( -4.823 -5.703 4.808) 8.883 31.552 ( -9.804 -7.214 -6.936) 14.009 31.552 ( 9.804 -7.214 6.936) 14.009 32.173 ( -4.923 -5.421 -2.274) 7.667 32.173 ( 4.923 -5.421 2.274) 7.667 33.562 ( -6.323 -31.438 -13.992) 34.987 33.562 ( 6.323 -31.438 13.992) 34.987 ======================= Grid point 107 (47/60) ======================= q-point: ( 0.25 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 8.678 5.144 -16.291) 19.162 1.198 ( 4.293 15.546 -2.732) 16.358 1.331 ( 6.984 9.221 16.720) 20.332 1.376 ( 10.421 11.690 3.137) 15.972 1.580 ( -9.878 6.055 -3.962) 12.245 1.599 ( -7.225 -2.755 -2.631) 8.168 1.779 ( -14.628 0.602 0.685) 14.656 1.828 ( 0.492 7.454 -0.899) 7.524 1.947 ( 2.405 -1.323 -7.532) 8.016 2.000 ( 5.061 0.690 -1.826) 5.424 2.084 ( 2.175 4.571 2.873) 5.821 2.124 ( 7.593 2.475 4.210) 9.028 2.165 ( 7.405 6.749 -6.723) 12.066 2.223 ( -1.079 3.405 7.727) 8.513 2.356 ( 7.279 12.425 4.833) 15.190 2.405 ( 4.529 10.605 6.701) 13.337 2.490 ( -0.144 5.204 -3.606) 6.333 2.527 ( 1.716 6.572 1.936) 7.063 2.599 ( -1.015 0.862 2.483) 2.818 2.750 ( -0.302 3.781 -4.269) 5.711 2.773 ( 2.768 0.615 -1.083) 3.035 2.852 ( -4.737 2.012 2.073) 5.548 2.960 ( -7.766 1.535 2.226) 8.223 3.029 ( 0.743 1.332 -5.547) 5.753 3.107 ( 0.639 5.456 -2.799) 6.166 3.115 ( 0.839 6.394 -1.700) 6.669 3.190 ( -1.841 11.028 1.682) 11.306 3.223 ( -1.112 5.682 0.218) 5.794 3.285 ( -1.243 15.079 0.216) 15.132 3.338 ( -4.623 8.516 -0.599) 9.708 3.403 ( -2.705 11.307 -2.901) 11.982 3.449 ( -7.344 4.214 6.452) 10.646 3.579 ( 5.298 10.950 -2.863) 12.496 3.614 ( 1.138 9.320 0.024) 9.390 3.763 ( -1.749 4.982 -2.476) 5.832 3.866 ( -1.307 7.420 -0.205) 7.537 4.123 ( 4.730 2.723 -2.236) 5.899 4.273 ( -2.438 1.394 3.166) 4.233 4.359 ( 1.599 -5.183 -1.922) 5.754 4.458 ( -0.691 -4.234 2.984) 5.226 4.567 ( -0.489 -0.462 0.315) 0.743 4.621 ( 5.367 -2.435 3.499) 6.854 4.735 ( 5.445 -1.364 -1.962) 5.946 4.871 ( -2.615 -0.494 -2.596) 3.718 5.088 ( -8.624 -2.431 0.080) 8.960 5.451 ( -4.407 -9.211 0.185) 10.213 5.487 ( 0.973 -5.347 4.176) 6.854 5.561 ( 8.727 -7.162 -6.061) 12.813 5.671 ( 4.925 -0.054 -1.096) 5.046 5.814 ( 0.296 -3.728 0.210) 3.746 5.908 ( 3.789 0.310 -3.319) 5.047 6.065 ( 5.801 -5.292 0.538) 7.871 6.323 ( -0.651 -0.622 1.030) 1.369 6.378 ( 0.416 -0.985 1.506) 1.847 6.432 ( -0.417 0.231 -0.175) 0.507 6.524 ( 1.987 -3.652 -1.705) 4.494 6.738 ( -2.315 3.025 -0.991) 3.936 6.864 ( 0.710 -0.377 1.864) 2.030 7.048 ( -5.962 2.840 3.510) 7.479 7.152 ( -3.225 5.167 -5.177) 7.994 7.369 ( -3.142 5.405 2.774) 6.839 7.427 ( -2.704 9.717 -0.802) 10.118 8.012 ( -1.092 3.406 0.753) 3.655 8.063 ( -1.617 5.188 -0.964) 5.519 8.193 ( 1.041 7.825 0.455) 7.907 8.276 ( 2.919 2.165 0.309) 3.647 8.365 ( -1.760 3.084 -0.538) 3.591 8.419 ( -3.705 2.393 -0.953) 4.512 8.702 ( 0.647 4.498 3.017) 5.455 8.755 ( -1.250 -0.380 -0.350) 1.353 8.831 ( -1.591 0.556 -1.134) 2.032 8.931 ( -3.942 0.360 -0.388) 3.977 9.310 ( -0.618 2.741 -0.386) 2.837 9.420 ( -1.142 1.968 1.073) 2.516 9.518 ( 2.335 4.747 3.041) 6.102 9.596 ( 2.557 8.145 -3.517) 9.232 10.110 ( -2.003 -1.016 -1.082) 2.493 10.187 ( -2.492 2.231 0.743) 3.427 10.440 ( 2.138 -0.698 0.265) 2.265 10.476 ( 1.703 0.798 0.691) 2.004 10.944 ( -1.577 -2.122 3.050) 4.036 11.099 ( -2.144 2.189 -2.494) 3.950 11.173 ( 2.025 2.990 1.619) 3.958 11.274 ( -2.161 4.640 -2.715) 5.794 11.326 ( 6.660 3.620 -4.009) 8.575 11.502 ( 0.200 2.699 5.072) 5.749 12.232 ( -0.344 -1.225 0.449) 1.349 12.271 ( -1.233 -0.841 0.972) 1.781 12.506 ( 0.684 2.143 -1.426) 2.664 12.657 ( -1.407 2.612 2.000) 3.578 13.008 ( 4.144 3.210 -0.868) 5.313 13.079 ( 2.479 5.964 -1.752) 6.692 13.159 ( -1.672 1.787 1.204) 2.727 13.293 ( -6.044 -2.976 0.712) 6.775 13.412 ( -2.325 -9.340 3.210) 10.146 13.437 ( 0.876 -10.176 -1.405) 10.309 13.479 ( 7.772 -12.636 -2.018) 14.971 13.712 ( 0.511 -9.211 1.369) 9.326 14.242 ( 1.951 0.663 -2.429) 3.186 14.322 ( 3.201 -3.231 -2.622) 5.250 14.359 ( -0.639 3.429 0.228) 3.496 14.392 ( 0.338 -11.196 5.707) 12.571 14.692 ( 0.187 -6.102 0.775) 6.154 14.705 ( 0.070 -6.447 -1.714) 6.671 15.065 ( 0.543 -13.125 0.523) 13.146 15.088 ( 1.376 -12.314 -1.012) 12.432 15.155 ( -1.800 -11.625 0.429) 11.771 15.240 ( -1.264 -11.741 0.626) 11.825 15.793 ( 0.236 14.845 -2.399) 15.040 15.857 ( -0.573 15.327 5.018) 16.137 17.218 ( 8.242 8.719 1.249) 12.063 17.301 ( 8.010 6.861 -1.105) 10.605 18.304 ( -5.835 12.269 2.225) 13.767 18.327 ( -5.545 12.796 -2.397) 14.151 20.429 ( 3.866 -11.480 0.452) 12.122 20.494 ( 3.966 -11.176 -1.593) 11.965 21.313 ( -0.682 -6.728 0.022) 6.762 21.393 ( 0.403 -4.851 -0.683) 4.915 21.849 ( -9.110 3.325 2.934) 10.132 21.877 ( -6.699 2.634 -1.674) 7.390 22.087 ( 2.999 4.565 3.130) 6.295 22.145 ( 1.229 4.799 -1.938) 5.319 22.455 ( -1.118 9.671 -0.888) 9.775 22.461 ( -1.275 8.504 1.276) 8.694 27.112 ( -1.473 2.088 0.017) 2.556 27.144 ( -2.103 2.402 1.099) 3.376 27.332 ( 0.309 3.494 1.167) 3.697 27.380 ( -0.018 3.161 -1.319) 3.425 27.584 ( 1.435 14.459 -0.109) 14.531 27.604 ( 1.674 13.242 1.642) 13.448 27.720 ( -5.427 17.264 -2.916) 18.330 27.802 ( -6.855 19.203 1.467) 20.443 28.743 ( 1.089 3.980 0.210) 4.132 28.798 ( -1.490 7.496 0.332) 7.650 28.890 ( 5.562 3.626 3.757) 7.629 28.928 ( 2.932 10.946 -7.789) 13.751 29.405 ( 1.263 -0.326 -1.390) 1.906 29.443 ( 1.325 0.980 2.748) 3.204 29.631 ( -2.441 -2.388 5.108) 6.144 29.675 ( -5.744 0.417 -0.147) 5.761 29.700 ( -3.259 0.115 3.360) 4.683 29.741 ( -0.415 -1.638 -8.343) 8.512 29.970 ( 3.711 0.857 -2.997) 4.847 29.981 ( 4.184 0.484 3.123) 5.243 30.769 ( -0.716 -3.258 2.772) 4.337 30.884 ( 0.314 -3.642 -2.222) 4.278 30.925 ( -3.014 -2.837 1.688) 4.470 30.978 ( 0.461 -3.085 -1.383) 3.412 31.092 ( 3.666 -4.341 4.266) 7.105 31.309 ( -0.564 -4.880 0.400) 4.928 31.532 ( 15.182 -9.569 2.348) 18.099 31.802 ( 12.034 -12.155 4.615) 17.715 32.089 ( -2.301 -3.560 -0.255) 4.247 32.275 ( 3.769 -9.326 -1.492) 10.169 33.301 ( -11.941 -22.357 -21.847) 33.462 33.509 ( -11.727 -26.351 11.747) 31.143 ======================= Grid point 108 (48/60) ======================= q-point: ( 0.50 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -4.441 4.807 -9.398) 11.452 1.286 ( 4.441 4.807 9.398) 11.452 1.385 ( -10.822 5.202 2.407) 12.246 1.385 ( 10.822 5.202 -2.407) 12.246 1.498 ( 3.227 3.293 -6.831) 8.242 1.498 ( -3.227 3.293 6.831) 8.242 1.651 ( -11.193 11.644 -8.508) 18.255 1.651 ( 11.193 11.644 8.508) 18.255 2.046 ( -0.124 0.018 -2.958) 2.961 2.046 ( 0.124 0.018 2.958) 2.961 2.151 ( 3.555 2.304 -5.502) 6.944 2.151 ( -3.555 2.304 5.502) 6.944 2.252 ( 0.402 3.754 -6.263) 7.313 2.252 ( -0.402 3.754 6.263) 7.313 2.431 ( -1.484 8.983 -0.198) 9.107 2.431 ( 1.484 8.983 0.198) 9.107 2.554 ( -0.638 2.491 -5.406) 5.987 2.554 ( 0.638 2.491 5.406) 5.987 2.669 ( -6.270 -0.019 -1.374) 6.419 2.669 ( 6.270 -0.019 1.374) 6.419 2.799 ( 5.966 8.734 -3.329) 11.089 2.799 ( -5.966 8.734 3.329) 11.089 2.933 ( -11.208 7.545 -13.172) 18.869 2.933 ( 11.208 7.545 13.172) 18.869 3.115 ( -4.464 1.067 -0.402) 4.608 3.115 ( 4.464 1.067 0.402) 4.608 3.183 ( 2.435 6.885 -2.444) 7.701 3.183 ( -2.435 6.885 2.444) 7.701 3.296 ( -2.422 15.011 0.456) 15.211 3.296 ( 2.422 15.011 -0.456) 15.211 3.343 ( 1.355 5.078 -6.553) 8.401 3.343 ( -1.355 5.078 6.553) 8.401 3.625 ( 0.298 11.512 -2.767) 11.844 3.625 ( -0.298 11.512 2.767) 11.844 3.826 ( 3.316 8.228 -4.774) 10.074 3.826 ( -3.316 8.228 4.774) 10.074 4.196 ( 0.921 3.292 -5.909) 6.827 4.196 ( -0.921 3.292 5.909) 6.827 4.403 ( 3.115 -5.543 -3.169) 7.104 4.403 ( -3.115 -5.543 3.169) 7.104 4.630 ( -3.434 -1.001 -2.326) 4.267 4.630 ( 3.434 -1.001 2.326) 4.267 4.845 ( -9.865 -3.532 -6.242) 12.196 4.845 ( 9.865 -3.532 6.242) 12.196 5.163 ( -16.209 -5.612 -3.991) 17.611 5.163 ( 16.209 -5.612 3.991) 17.611 5.546 ( -3.291 -4.602 -8.703) 10.380 5.546 ( 3.291 -4.602 8.703) 10.380 5.810 ( -0.776 -4.143 -9.281) 10.193 5.810 ( 0.776 -4.143 9.281) 10.193 6.055 ( 5.125 -4.122 -4.993) 8.257 6.055 ( -5.125 -4.122 4.993) 8.257 6.340 ( 2.980 -0.532 -3.100) 4.333 6.340 ( -2.980 -0.532 3.100) 4.333 6.508 ( 4.909 -0.201 -2.954) 5.733 6.508 ( -4.909 -0.201 2.954) 5.733 6.772 ( 8.304 -0.169 -5.850) 10.159 6.772 ( -8.304 -0.169 5.850) 10.159 7.045 ( -5.087 3.402 -3.509) 7.055 7.045 ( 5.087 3.402 3.509) 7.055 7.367 ( -1.439 11.163 -2.296) 11.487 7.367 ( 1.439 11.163 2.296) 11.487 8.021 ( -0.682 2.379 -2.605) 3.593 8.021 ( 0.682 2.379 2.605) 3.593 8.266 ( -0.096 4.369 -0.968) 4.476 8.266 ( 0.096 4.369 0.968) 4.476 8.354 ( 1.354 6.825 -3.664) 7.864 8.354 ( -1.354 6.825 3.664) 7.864 8.739 ( -0.376 -0.068 -3.268) 3.290 8.739 ( 0.376 -0.068 3.268) 3.290 8.827 ( 0.931 1.855 -3.303) 3.901 8.827 ( -0.931 1.855 3.303) 3.901 9.355 ( 3.854 1.260 -3.405) 5.295 9.355 ( -3.854 1.260 3.405) 5.295 9.593 ( -2.663 6.128 -3.770) 7.672 9.593 ( 2.663 6.128 3.770) 7.672 10.122 ( 2.425 0.234 -2.039) 3.177 10.122 ( -2.425 0.234 2.039) 3.177 10.483 ( 0.267 0.783 -2.779) 2.899 10.483 ( -0.267 0.783 2.779) 2.899 10.984 ( -4.423 -1.194 -2.290) 5.122 10.984 ( 4.423 -1.194 2.290) 5.122 11.245 ( -2.470 5.254 -1.212) 5.931 11.245 ( 2.470 5.254 1.212) 5.931 11.444 ( 4.427 2.242 -5.628) 7.503 11.444 ( -4.427 2.242 5.628) 7.503 12.241 ( 1.015 0.368 -7.662) 7.738 12.241 ( -1.015 0.368 7.662) 7.738 12.584 ( 3.931 1.764 -3.976) 5.863 12.584 ( -3.931 1.764 3.976) 5.863 13.101 ( -1.569 6.244 -2.244) 6.818 13.101 ( 1.569 6.244 2.244) 6.818 13.153 ( 0.819 -2.864 -2.936) 4.182 13.153 ( -0.819 -2.864 2.936) 4.182 13.415 ( -1.409 -11.599 -2.104) 11.872 13.415 ( 1.409 -11.599 2.104) 11.872 13.649 ( 4.772 -11.457 -3.609) 12.925 13.649 ( -4.772 -11.457 3.609) 12.925 14.307 ( 3.538 2.523 -3.340) 5.481 14.307 ( -3.538 2.523 3.340) 5.481 14.382 ( 2.131 -9.258 -4.772) 10.632 14.382 ( -2.131 -9.258 4.772) 10.632 14.700 ( -0.269 -5.810 -1.796) 6.087 14.700 ( 0.269 -5.810 1.796) 6.087 15.085 ( -0.878 -12.533 -1.523) 12.655 15.085 ( 0.878 -12.533 1.523) 12.655 15.182 ( -2.789 -9.624 0.254) 10.024 15.182 ( 2.789 -9.624 -0.254) 10.024 15.823 ( 1.703 12.614 -5.049) 13.693 15.823 ( -1.703 12.614 5.049) 13.693 17.366 ( -2.829 8.230 -0.925) 8.752 17.366 ( 2.829 8.230 0.925) 8.752 18.240 ( -0.391 11.325 -0.931) 11.370 18.240 ( 0.391 11.325 0.931) 11.370 20.509 ( -2.382 -10.170 -0.032) 10.445 20.509 ( 2.382 -10.170 0.032) 10.445 21.350 ( -0.670 -4.317 -0.893) 4.459 21.350 ( 0.670 -4.317 0.893) 4.459 21.777 ( -1.857 1.032 -1.765) 2.762 21.777 ( 1.857 1.032 1.765) 2.762 22.134 ( -1.296 4.838 -3.483) 6.101 22.134 ( 1.296 4.838 3.483) 6.101 22.445 ( 0.402 9.795 -2.928) 10.231 22.445 ( -0.402 9.795 2.928) 10.231 27.106 ( -0.113 3.035 -1.395) 3.342 27.106 ( 0.113 3.035 1.395) 3.342 27.359 ( -0.251 3.060 -5.698) 6.473 27.359 ( 0.251 3.060 5.698) 6.473 27.628 ( -1.750 15.596 0.513) 15.702 27.628 ( 1.750 15.596 -0.513) 15.702 27.676 ( -3.710 16.156 -1.533) 16.647 27.676 ( 3.710 16.156 1.533) 16.647 28.771 ( -0.109 5.659 -0.735) 5.708 28.771 ( 0.109 5.659 0.735) 5.708 28.952 ( 0.030 5.500 -6.477) 8.497 28.952 ( -0.030 5.500 6.477) 8.497 29.441 ( 1.232 -0.973 -2.507) 2.958 29.441 ( -1.232 -0.973 2.507) 2.958 29.614 ( -0.122 -0.252 -4.941) 4.949 29.614 ( 0.122 -0.252 4.941) 4.949 29.693 ( -1.749 0.078 -9.073) 9.240 29.693 ( 1.749 0.078 9.073) 9.240 30.019 ( 0.910 -0.156 -4.580) 4.672 30.019 ( -0.910 -0.156 4.580) 4.672 30.811 ( -3.893 -3.372 -3.148) 6.036 30.811 ( 3.893 -3.372 3.148) 6.036 30.947 ( -2.258 -2.680 -2.494) 4.301 30.947 ( 2.258 -2.680 2.494) 4.301 31.213 ( -6.200 -4.367 -3.122) 8.201 31.213 ( 6.200 -4.367 3.122) 8.201 31.828 ( -8.987 -11.396 -9.837) 17.533 31.828 ( 8.987 -11.396 9.837) 17.533 32.207 ( -9.860 -10.137 -10.203) 17.438 32.207 ( 9.860 -10.137 10.203) 17.438 33.257 ( 10.486 -17.626 -16.948) 26.606 33.257 ( -10.486 -17.626 16.948) 26.606 ======================= Grid point 111 (49/60) ======================= q-point: ( 0.00 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -13.172 9.037 -13.416) 20.861 1.284 ( 13.172 9.037 13.416) 20.861 1.464 ( -1.376 10.823 -18.734) 21.680 1.464 ( 1.376 10.823 18.734) 21.680 1.688 ( 0.925 -0.585 -6.282) 6.376 1.688 ( -0.925 -0.585 6.282) 6.376 1.892 ( -1.497 6.617 -3.588) 7.675 1.892 ( 1.497 6.617 3.588) 7.675 2.031 ( -2.396 5.014 -8.049) 9.781 2.031 ( 2.396 5.014 8.049) 9.781 2.160 ( -3.660 5.642 -0.143) 6.727 2.160 ( 3.660 5.642 0.143) 6.727 2.308 ( -1.985 9.149 -9.031) 13.008 2.308 ( 1.985 9.149 9.031) 13.008 2.546 ( 2.990 8.045 -14.518) 16.865 2.546 ( -2.990 8.045 14.518) 16.865 2.611 ( 2.386 3.790 -2.943) 5.360 2.611 ( -2.386 3.790 2.943) 5.360 2.709 ( 0.866 3.620 -4.516) 5.852 2.709 ( -0.866 3.620 4.516) 5.852 2.846 ( 3.672 3.198 -4.403) 6.564 2.846 ( -3.672 3.198 4.403) 6.564 3.033 ( -3.811 -2.527 -5.436) 7.104 3.033 ( 3.811 -2.527 5.436) 7.104 3.110 ( -0.166 -0.189 -3.642) 3.651 3.110 ( 0.166 -0.189 3.642) 3.651 3.370 ( 1.682 1.992 -4.701) 5.375 3.370 ( -1.682 1.992 4.701) 5.375 3.497 ( 1.073 1.888 -4.356) 4.867 3.497 ( -1.073 1.888 4.356) 4.867 3.724 ( 1.309 15.291 -4.412) 15.969 3.724 ( -1.309 15.291 4.412) 15.969 3.909 ( -0.127 21.839 -5.193) 22.448 3.909 ( 0.127 21.839 5.193) 22.448 4.011 ( -0.051 7.790 -1.324) 7.902 4.011 ( 0.051 7.790 1.324) 7.902 4.232 ( 1.136 4.916 -0.905) 5.126 4.232 ( -1.136 4.916 0.905) 5.126 4.348 ( -0.303 4.061 -2.235) 4.646 4.348 ( 0.303 4.061 2.235) 4.646 4.628 ( 2.512 3.207 -4.531) 6.093 4.628 ( -2.512 3.207 4.531) 6.093 4.733 ( -0.444 -0.219 -1.265) 1.358 4.733 ( 0.444 -0.219 1.265) 1.358 5.280 ( -4.450 -0.779 -2.157) 5.006 5.280 ( 4.450 -0.779 2.157) 5.006 5.375 ( -7.374 -0.572 -2.480) 7.801 5.375 ( 7.374 -0.572 2.480) 7.801 5.677 ( -1.832 -4.103 -1.907) 4.882 5.677 ( 1.832 -4.103 1.907) 4.882 5.923 ( -5.171 -0.551 -3.318) 6.168 5.923 ( 5.171 -0.551 3.318) 6.168 6.359 ( -0.903 4.282 -1.535) 4.637 6.359 ( 0.903 4.282 1.535) 4.637 6.528 ( -1.345 6.553 -2.810) 7.256 6.528 ( 1.345 6.553 2.810) 7.256 6.870 ( 3.823 6.773 -3.899) 8.700 6.870 ( -3.823 6.773 3.899) 8.700 7.230 ( 3.531 3.208 -3.884) 6.152 7.230 ( -3.531 3.208 3.884) 6.152 7.558 ( 3.462 7.368 -4.310) 9.212 7.558 ( -3.462 7.368 4.310) 9.212 8.138 ( 2.541 2.390 -5.059) 6.146 8.138 ( -2.541 2.390 5.059) 6.146 8.288 ( 3.524 3.354 -4.009) 6.304 8.288 ( -3.524 3.354 4.009) 6.304 8.408 ( 0.633 0.092 -4.560) 4.604 8.408 ( -0.633 0.092 4.560) 4.604 8.817 ( 1.292 -0.809 -2.559) 2.978 8.817 ( -1.292 -0.809 2.559) 2.978 8.916 ( 0.774 5.994 -6.283) 8.718 8.916 ( -0.774 5.994 6.283) 8.718 9.466 ( 2.177 4.868 -2.333) 5.820 9.466 ( -2.177 4.868 2.333) 5.820 9.739 ( -3.748 13.753 0.831) 14.279 9.739 ( 3.748 13.753 -0.831) 14.279 10.199 ( -3.533 2.044 -1.221) 4.261 10.199 ( 3.533 2.044 1.221) 4.261 10.433 ( -0.574 0.157 -1.460) 1.576 10.433 ( 0.574 0.157 1.460) 1.576 11.005 ( 3.295 -0.985 -2.200) 4.083 11.005 ( -3.295 -0.985 2.200) 4.083 11.297 ( -7.145 4.046 -0.466) 8.225 11.297 ( 7.145 4.046 0.466) 8.225 11.538 ( -3.178 9.793 -5.342) 11.599 11.538 ( 3.178 9.793 5.342) 11.599 12.215 ( 2.488 -1.460 -2.348) 3.720 12.215 ( -2.488 -1.460 2.348) 3.720 12.613 ( -5.607 -1.445 0.549) 5.816 12.613 ( 5.607 -1.445 -0.549) 5.816 13.032 ( -1.913 -4.119 -3.184) 5.546 13.032 ( 1.913 -4.119 3.184) 5.546 13.136 ( -2.003 -12.635 -1.252) 12.854 13.136 ( 2.003 -12.635 1.252) 12.854 13.205 ( -2.298 -5.282 -1.884) 6.061 13.205 ( 2.298 -5.282 1.884) 6.061 13.462 ( -0.309 -7.607 -10.361) 12.857 13.462 ( 0.309 -7.607 10.361) 12.857 14.057 ( 1.125 -16.087 -0.748) 16.144 14.057 ( -1.125 -16.087 0.748) 16.144 14.309 ( -1.931 -7.709 -0.056) 7.947 14.309 ( 1.931 -7.709 0.056) 7.947 14.525 ( 0.189 -10.382 -2.219) 10.619 14.525 ( -0.189 -10.382 2.219) 10.619 14.719 ( 0.129 -19.200 -0.915) 19.222 14.719 ( -0.129 -19.200 0.915) 19.222 14.878 ( -1.725 -20.594 -0.974) 20.689 14.878 ( 1.725 -20.594 0.974) 20.689 16.296 ( -0.848 28.012 -9.545) 29.605 16.296 ( 0.848 28.012 9.545) 29.605 17.388 ( 1.663 15.297 -2.080) 15.527 17.388 ( -1.663 15.297 2.080) 15.527 18.756 ( 1.162 23.724 -3.028) 23.944 18.756 ( -1.162 23.724 3.028) 23.944 20.166 ( -0.085 -10.565 -1.071) 10.619 20.166 ( 0.085 -10.565 1.071) 10.619 21.228 ( 1.530 -6.304 -1.787) 6.729 21.228 ( -1.530 -6.304 1.787) 6.729 21.936 ( 0.090 -7.361 -3.283) 8.060 21.936 ( -0.090 -7.361 3.283) 8.060 22.232 ( -2.378 9.386 -0.016) 9.683 22.232 ( 2.378 9.386 0.016) 9.683 22.665 ( 0.090 9.733 -3.092) 10.213 22.665 ( -0.090 9.733 3.092) 10.213 27.225 ( -0.385 6.249 -1.567) 6.453 27.225 ( 0.385 6.249 1.567) 6.453 27.474 ( -0.454 7.884 -4.901) 9.294 27.474 ( 0.454 7.884 4.901) 9.294 27.886 ( 0.015 17.273 -0.063) 17.273 27.886 ( -0.015 17.273 0.063) 17.273 28.176 ( -2.966 14.600 -4.393) 15.533 28.176 ( 2.966 14.600 4.393) 15.533 28.852 ( 1.455 5.707 -2.841) 6.539 28.852 ( -1.455 5.707 2.841) 6.539 29.111 ( 5.442 11.320 -8.764) 15.315 29.111 ( -5.442 11.320 8.764) 15.315 29.435 ( -2.108 0.737 -2.640) 3.458 29.435 ( 2.108 0.737 2.640) 3.458 29.595 ( 2.133 -6.374 -4.640) 8.167 29.595 ( -2.133 -6.374 4.640) 8.167 29.792 ( -0.958 2.406 -0.543) 2.646 29.792 ( 0.958 2.406 0.543) 2.646 29.983 ( 1.712 6.122 -4.827) 7.981 29.983 ( -1.712 6.122 4.827) 7.981 30.743 ( -2.058 -6.461 0.140) 6.782 30.743 ( 2.058 -6.461 -0.140) 6.782 30.876 ( 0.568 -5.717 -4.145) 7.085 30.876 ( -0.568 -5.717 4.145) 7.085 30.965 ( -2.102 -8.338 -2.344) 8.913 30.965 ( 2.102 -8.338 2.344) 8.913 31.363 ( -6.553 -11.658 -4.882) 14.237 31.363 ( 6.553 -11.658 4.882) 14.237 32.043 ( -2.490 -7.291 -1.109) 7.784 32.043 ( 2.490 -7.291 1.109) 7.784 32.936 ( -3.149 -29.984 -18.987) 35.630 32.936 ( 3.149 -29.984 18.987) 35.630 ======================= Grid point 113 (50/60) ======================= q-point: ( 0.25 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 5.059 9.934 -12.893) 17.044 1.466 ( 0.687 5.517 -7.330) 9.200 1.498 ( 0.203 3.646 -6.794) 7.713 1.553 ( 4.826 12.388 9.067) 16.092 1.605 ( 3.531 9.978 10.060) 14.603 1.755 ( -4.515 6.518 3.888) 8.831 1.814 ( -2.213 1.076 -4.355) 5.002 1.880 ( -1.354 5.327 0.492) 5.518 2.017 ( -3.226 6.424 -3.545) 8.015 2.066 ( 0.317 4.653 1.531) 4.909 2.153 ( 7.777 2.254 3.632) 8.874 2.192 ( 0.956 5.581 0.349) 5.673 2.287 ( 0.635 6.209 -3.856) 7.337 2.323 ( -1.198 6.121 6.214) 8.804 2.506 ( -1.907 0.207 8.287) 8.506 2.566 ( 0.376 5.288 0.871) 5.373 2.597 ( -1.123 1.806 6.672) 7.003 2.642 ( -5.252 2.222 0.344) 5.713 2.648 ( -0.048 5.724 -2.418) 6.214 2.752 ( 1.850 1.373 -11.204) 11.438 2.865 ( 4.652 10.076 5.271) 12.286 2.936 ( 5.751 5.271 0.672) 7.830 2.972 ( 1.875 0.346 -5.579) 5.896 3.084 ( 2.587 4.166 -4.068) 6.372 3.127 ( 0.606 0.206 0.261) 0.691 3.161 ( 0.623 -0.974 -0.991) 1.523 3.327 ( -1.134 -0.518 4.342) 4.517 3.367 ( -0.568 6.225 2.436) 6.709 3.446 ( -5.607 4.398 -1.696) 7.325 3.516 ( 2.753 4.414 -5.608) 7.649 3.651 ( -6.971 12.546 2.011) 14.493 3.710 ( -3.124 14.983 -0.122) 15.305 3.911 ( 0.673 19.531 -0.970) 19.566 3.932 ( 0.048 9.643 -1.175) 9.715 3.970 ( 2.532 21.150 0.334) 21.304 4.033 ( 0.258 6.991 -2.957) 7.595 4.214 ( 3.030 5.853 2.240) 6.961 4.337 ( 1.941 2.105 1.281) 3.137 4.357 ( 3.299 9.099 -3.474) 10.283 4.442 ( 3.155 5.601 4.848) 8.052 4.533 ( -3.568 0.470 4.125) 5.474 4.625 ( 1.290 4.163 2.891) 5.230 4.702 ( 2.308 0.631 -5.881) 6.349 4.852 ( 3.321 0.917 -2.541) 4.281 5.056 ( -11.939 -0.168 0.025) 11.940 5.311 ( -5.916 -4.749 2.813) 8.091 5.387 ( -0.357 -4.287 0.652) 4.351 5.443 ( 5.852 -3.957 -5.686) 9.068 5.656 ( 3.006 -0.604 -0.974) 3.217 5.774 ( 4.125 -0.538 2.628) 4.921 5.871 ( 1.409 -3.922 -2.414) 4.816 5.992 ( 0.313 -1.939 2.512) 3.189 6.346 ( -1.149 0.621 1.342) 1.873 6.368 ( -1.445 3.985 1.904) 4.647 6.474 ( 1.469 4.268 -5.218) 6.899 6.569 ( 1.460 7.874 -0.952) 8.065 6.827 ( -1.406 6.120 2.778) 6.866 6.885 ( -3.969 3.508 -0.462) 5.317 7.124 ( -3.072 6.913 2.817) 8.072 7.258 ( -2.728 5.549 -2.920) 6.838 7.494 ( 1.112 7.964 1.108) 8.117 7.650 ( 1.377 11.511 -0.798) 11.620 8.056 ( -3.367 1.762 4.333) 5.763 8.130 ( -2.420 2.456 -2.492) 4.254 8.262 ( 1.743 -2.799 1.096) 3.475 8.360 ( 1.352 6.038 -0.147) 6.190 8.422 ( 1.252 1.129 -4.481) 4.788 8.436 ( 1.826 1.150 1.656) 2.720 8.758 ( 0.606 3.023 -1.355) 3.368 8.815 ( -1.660 2.105 5.066) 5.731 8.906 ( -1.005 5.865 -3.067) 6.694 8.974 ( -0.169 6.322 -0.601) 6.353 9.391 ( -3.150 5.337 1.164) 6.306 9.462 ( -2.151 3.188 -0.540) 3.884 9.684 ( 0.866 12.395 2.267) 12.631 9.815 ( 1.368 13.167 -1.270) 13.299 10.091 ( -2.197 -0.642 -2.681) 3.525 10.243 ( -4.914 3.776 0.409) 6.210 10.416 ( 3.630 -1.759 1.989) 4.498 10.486 ( 1.677 0.492 0.402) 1.794 10.922 ( -0.499 -0.327 2.590) 2.657 11.137 ( -6.788 1.670 -2.796) 7.529 11.197 ( 8.613 1.035 -2.094) 8.924 11.434 ( 5.255 9.796 -0.358) 11.122 11.470 ( -1.706 9.704 -0.052) 9.853 11.577 ( -0.980 6.350 3.172) 7.166 12.195 ( 0.936 -2.841 1.988) 3.592 12.253 ( 0.334 -0.762 -2.154) 2.309 12.526 ( -0.264 -0.848 -2.435) 2.592 12.683 ( -1.507 -0.863 1.112) 2.062 13.009 ( 1.041 -5.739 -0.670) 5.871 13.076 ( 0.612 -7.110 2.566) 7.583 13.094 ( -1.100 -10.738 1.248) 10.866 13.169 ( -1.577 -9.873 -1.742) 10.149 13.181 ( 2.214 -9.206 2.806) 9.876 13.277 ( 3.388 -6.963 0.007) 7.744 13.330 ( -4.229 -1.842 -3.952) 6.075 13.493 ( -2.638 -11.821 1.233) 12.174 14.067 ( 1.696 -15.172 0.549) 15.277 14.090 ( 1.426 -17.735 -0.099) 17.793 14.279 ( -0.094 -5.685 -1.814) 5.969 14.330 ( -0.430 -9.192 0.803) 9.237 14.520 ( -0.269 -11.089 0.657) 11.112 14.524 ( -0.366 -10.609 0.167) 10.616 14.712 ( 1.389 -20.752 -0.489) 20.804 14.770 ( 2.028 -18.614 -1.715) 18.803 14.840 ( -0.428 -18.909 -0.012) 18.914 14.910 ( 0.251 -20.085 0.925) 20.108 16.253 ( -1.265 28.990 -7.127) 29.881 16.293 ( -2.351 27.091 7.471) 28.201 17.458 ( 6.975 14.829 2.986) 16.658 17.497 ( 7.378 12.539 -2.368) 14.740 18.650 ( -7.320 22.854 1.422) 24.040 18.679 ( -7.068 22.933 -1.435) 24.040 20.214 ( 5.992 -8.843 -0.095) 10.682 20.279 ( 6.257 -9.089 -0.139) 11.035 21.194 ( 0.433 -5.319 0.739) 5.387 21.282 ( 1.904 -6.041 -1.665) 6.549 21.819 ( -6.859 -5.757 1.826) 9.139 21.881 ( -8.024 -4.061 -0.089) 8.994 22.194 ( 1.299 6.549 1.229) 6.789 22.273 ( -0.321 6.927 -0.933) 6.997 22.652 ( -0.401 10.009 -0.805) 10.050 22.666 ( -0.519 10.194 0.733) 10.233 27.203 ( -0.592 6.912 0.322) 6.945 27.234 ( -0.741 6.513 0.743) 6.597 27.450 ( 0.004 8.198 -2.214) 8.492 27.489 ( -0.353 7.409 1.600) 7.588 27.910 ( 2.665 17.049 0.893) 17.279 27.914 ( 2.297 17.890 0.099) 18.037 28.072 ( -5.211 17.329 -2.708) 18.297 28.153 ( -5.441 15.709 1.727) 16.714 28.849 ( 1.787 6.677 0.961) 6.979 28.927 ( 3.201 4.924 -2.378) 6.336 29.018 ( -2.501 9.180 6.836) 11.715 29.151 ( -1.275 10.071 -8.082) 12.975 29.399 ( -0.102 -0.458 -1.869) 1.927 29.455 ( -0.616 0.154 2.451) 2.532 29.558 ( -1.216 -4.949 3.176) 6.005 29.602 ( -1.231 -6.413 -3.754) 7.533 29.753 ( -2.049 4.718 2.480) 5.711 29.767 ( -1.619 4.124 -0.746) 4.493 30.007 ( 2.246 3.223 3.173) 5.050 30.019 ( 1.492 3.906 -4.139) 5.883 30.678 ( -0.275 -5.968 3.324) 6.837 30.775 ( -1.269 -7.321 -3.455) 8.195 30.858 ( -0.780 -4.013 3.369) 5.298 30.897 ( 0.175 -5.080 -2.359) 5.604 30.971 ( 4.591 -7.870 3.065) 9.613 31.180 ( 4.504 -8.280 2.111) 9.659 31.281 ( 6.210 -15.025 -2.053) 16.386 31.501 ( 5.378 -17.415 3.317) 18.526 31.999 ( -1.049 -5.380 0.224) 5.486 32.080 ( 0.273 -9.603 -2.652) 9.966 32.830 ( -2.711 -24.028 -19.065) 30.792 32.947 ( -4.290 -28.536 15.357) 32.689 ======================= Grid point 114 (51/60) ======================= q-point: ( 0.50 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 0.499 4.720 -6.707) 8.217 1.371 ( -0.499 4.720 6.707) 8.217 1.536 ( 1.279 8.789 -4.198) 9.824 1.536 ( -1.279 8.789 4.198) 9.824 1.640 ( 0.997 10.241 -8.395) 13.280 1.640 ( -0.997 10.241 8.395) 13.280 1.835 ( -8.174 7.786 -8.900) 14.375 1.835 ( 8.174 7.786 8.900) 14.375 2.053 ( 4.215 0.745 -6.596) 7.863 2.053 ( -4.215 0.745 6.596) 7.863 2.221 ( -3.476 4.241 0.289) 5.491 2.221 ( 3.476 4.241 -0.289) 5.491 2.315 ( -3.240 3.271 -5.859) 7.451 2.315 ( 3.240 3.271 5.859) 7.451 2.511 ( -0.282 -0.178 -6.905) 6.913 2.511 ( 0.282 -0.178 6.905) 6.913 2.590 ( -1.028 2.522 -5.790) 6.399 2.590 ( 1.028 2.522 5.790) 6.399 2.687 ( -3.945 2.576 -3.717) 6.001 2.687 ( 3.945 2.576 3.717) 6.001 2.965 ( 0.511 5.426 -6.315) 8.341 2.965 ( -0.511 5.426 6.315) 8.341 3.099 ( -3.461 0.884 -4.303) 5.592 3.099 ( 3.461 0.884 4.303) 5.592 3.142 ( -0.758 8.452 -9.270) 12.568 3.142 ( 0.758 8.452 9.270) 12.568 3.320 ( 0.928 4.564 -6.127) 7.696 3.320 ( -0.928 4.564 6.127) 7.696 3.444 ( -5.013 7.283 -5.251) 10.283 3.444 ( 5.013 7.283 5.251) 10.283 3.630 ( 1.167 12.227 -5.287) 13.372 3.630 ( -1.167 12.227 5.287) 13.372 3.929 ( -0.190 14.255 -1.070) 14.297 3.929 ( 0.190 14.255 1.070) 14.297 4.021 ( -0.495 10.049 -6.788) 12.137 4.021 ( 0.495 10.049 6.788) 12.137 4.307 ( -4.474 8.196 -2.074) 9.565 4.307 ( 4.474 8.196 2.074) 9.565 4.423 ( 3.433 10.666 -4.137) 11.944 4.423 ( -3.433 10.666 4.137) 11.944 4.582 ( -4.291 -1.791 -4.410) 6.408 4.582 ( 4.291 -1.791 4.410) 6.408 4.801 ( -6.288 1.181 -6.375) 9.032 4.801 ( 6.288 1.181 6.375) 9.032 5.068 ( -11.157 -2.662 -2.353) 11.709 5.068 ( 11.157 -2.662 2.353) 11.709 5.456 ( -2.933 -5.667 -10.272) 12.092 5.456 ( 2.933 -5.667 10.272) 12.092 5.753 ( 4.001 -0.025 -6.535) 7.662 5.753 ( -4.001 -0.025 6.535) 7.662 5.958 ( -0.488 -4.921 -4.086) 6.415 5.958 ( 0.488 -4.921 4.086) 6.415 6.327 ( 0.392 -0.823 -2.691) 2.841 6.327 ( -0.392 -0.823 2.691) 2.841 6.564 ( 4.037 6.713 -4.398) 8.984 6.564 ( -4.037 6.713 4.398) 8.984 6.801 ( 0.160 4.354 -2.484) 5.015 6.801 ( -0.160 4.354 2.484) 5.015 7.154 ( -5.046 7.780 -2.484) 9.600 7.154 ( 5.046 7.780 2.484) 9.600 7.588 ( 0.447 11.041 -4.400) 11.894 7.588 ( -0.447 11.041 4.400) 11.894 8.065 ( -2.844 2.165 -3.023) 4.681 8.065 ( 2.844 2.165 3.023) 4.681 8.331 ( -3.409 0.327 0.358) 3.444 8.331 ( 3.409 0.327 -0.358) 3.444 8.446 ( 1.439 2.677 -4.252) 5.226 8.446 ( -1.439 2.677 4.252) 5.226 8.806 ( 1.758 4.857 -6.554) 8.345 8.806 ( -1.758 4.857 6.554) 8.345 8.898 ( -0.554 7.080 -5.400) 8.922 8.898 ( 0.554 7.080 5.400) 8.922 9.397 ( 1.248 3.615 -1.664) 4.171 9.397 ( -1.248 3.615 1.664) 4.171 9.770 ( -4.937 11.907 -2.108) 13.061 9.770 ( 4.937 11.907 2.108) 13.061 10.120 ( 3.424 -0.372 -4.705) 5.831 10.120 ( -3.424 -0.372 4.705) 5.831 10.489 ( -0.756 -0.162 -2.794) 2.899 10.489 ( 0.756 -0.162 2.794) 2.899 10.983 ( -5.111 1.107 -2.694) 5.883 10.983 ( 5.111 1.107 2.694) 5.883 11.375 ( 5.847 6.220 -3.197) 9.116 11.375 ( -5.847 6.220 3.197) 9.116 11.531 ( -1.966 8.176 -2.415) 8.749 11.531 ( 1.966 8.176 2.415) 8.749 12.232 ( -0.606 -1.591 -5.103) 5.379 12.232 ( 0.606 -1.591 5.103) 5.379 12.589 ( 3.829 -2.108 -4.827) 6.512 12.589 ( -3.829 -2.108 4.827) 6.512 13.050 ( -0.167 -7.776 -2.335) 8.120 13.050 ( 0.167 -7.776 2.335) 8.120 13.121 ( -1.447 -9.525 -2.920) 10.067 13.121 ( 1.447 -9.525 2.920) 10.067 13.233 ( -1.959 -3.163 -4.466) 5.813 13.233 ( 1.959 -3.163 4.466) 5.813 13.402 ( 1.941 -11.607 -4.913) 12.753 13.402 ( -1.941 -11.607 4.913) 12.753 14.097 ( -0.019 -16.735 -1.590) 16.810 14.097 ( 0.019 -16.735 1.590) 16.810 14.301 ( 1.895 -7.342 -2.609) 8.019 14.301 ( -1.895 -7.342 2.609) 8.019 14.518 ( -0.055 -11.606 -0.146) 11.607 14.518 ( 0.055 -11.606 0.146) 11.607 14.754 ( -2.063 -20.203 0.020) 20.308 14.754 ( 2.063 -20.203 -0.020) 20.308 14.883 ( 0.596 -18.191 -2.415) 18.360 14.883 ( -0.596 -18.191 2.415) 18.360 16.251 ( 1.704 28.096 -8.144) 29.302 16.251 ( -1.704 28.096 8.144) 29.302 17.572 ( -1.420 11.987 -2.758) 12.382 17.572 ( 1.420 11.987 2.758) 12.382 18.571 ( -0.241 22.501 -1.487) 22.551 18.571 ( 0.241 22.501 1.487) 22.551 20.321 ( -0.172 -7.549 -0.392) 7.561 20.321 ( 0.172 -7.549 0.392) 7.561 21.258 ( -4.080 -4.718 -0.448) 6.253 21.258 ( 4.080 -4.718 0.448) 6.253 21.753 ( -1.398 -4.110 -2.136) 4.838 21.753 ( 1.398 -4.110 2.136) 4.838 22.239 ( -2.265 5.262 -1.334) 5.882 22.239 ( 2.265 5.262 1.334) 5.882 22.653 ( 0.359 10.375 -3.155) 10.850 22.653 ( -0.359 10.375 3.155) 10.850 27.209 ( -0.434 7.252 -0.652) 7.294 27.209 ( 0.434 7.252 0.652) 7.294 27.469 ( 0.680 7.612 -6.003) 9.718 27.469 ( -0.680 7.612 6.003) 9.718 27.962 ( -0.830 17.446 -1.149) 17.504 27.962 ( 0.830 17.446 1.149) 17.504 28.028 ( -3.280 18.183 -0.765) 18.492 28.028 ( 3.280 18.183 0.765) 18.492 28.903 ( -2.024 7.380 -0.287) 7.657 28.903 ( 2.024 7.380 0.287) 7.657 29.075 ( -4.360 6.267 -4.371) 8.797 29.075 ( 4.360 6.267 4.371) 8.797 29.424 ( 1.751 -0.592 -2.503) 3.111 29.424 ( -1.751 -0.592 2.503) 3.111 29.565 ( -0.712 -4.586 -3.977) 6.112 29.565 ( 0.712 -4.586 3.977) 6.112 29.742 ( -0.477 5.042 -4.107) 6.520 29.742 ( 0.477 5.042 4.107) 6.520 30.033 ( 0.308 2.061 -3.593) 4.153 30.033 ( -0.308 2.061 3.593) 4.153 30.717 ( -2.939 -6.256 -3.272) 7.648 30.717 ( 2.939 -6.256 3.272) 7.648 30.875 ( -1.398 -4.467 -3.015) 5.568 30.875 ( 1.398 -4.467 3.015) 5.568 31.095 ( -6.252 -7.611 -2.714) 10.217 31.095 ( 6.252 -7.611 2.714) 10.217 31.501 ( -6.791 -20.166 -3.253) 21.526 31.501 ( 6.791 -20.166 3.253) 21.526 32.031 ( -3.498 -7.620 -5.575) 10.069 32.031 ( 3.498 -7.620 5.575) 10.069 32.845 ( 5.748 -22.759 -15.181) 27.954 32.845 ( -5.748 -22.759 15.181) 27.954 ======================= Grid point 117 (52/60) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -6.771 4.698 -5.279) 9.787 1.403 ( 6.771 4.698 5.279) 9.787 1.670 ( -2.660 10.994 -10.122) 15.179 1.670 ( 2.660 10.994 10.122) 15.179 1.796 ( -7.455 10.622 -8.700) 15.624 1.796 ( 7.455 10.622 8.700) 15.624 2.005 ( -5.166 5.364 -2.019) 7.716 2.005 ( 5.166 5.364 2.019) 7.716 2.146 ( -0.748 5.820 -4.962) 7.685 2.146 ( 0.748 5.820 4.962) 7.685 2.263 ( 2.376 4.328 -4.560) 6.721 2.263 ( -2.376 4.328 4.560) 6.721 2.449 ( -0.557 4.923 -5.551) 7.440 2.449 ( 0.557 4.923 5.551) 7.440 2.538 ( 2.468 -3.030 -4.437) 5.913 2.538 ( -2.468 -3.030 4.437) 5.913 2.694 ( 0.796 4.558 -4.141) 6.209 2.694 ( -0.796 4.558 4.141) 6.209 2.796 ( -3.038 4.068 -5.517) 7.498 2.796 ( 3.038 4.068 5.517) 7.498 2.930 ( -2.274 2.163 -9.463) 9.970 2.930 ( 2.274 2.163 9.463) 9.970 3.053 ( -0.057 0.204 -2.151) 2.161 3.053 ( 0.057 0.204 2.151) 2.161 3.112 ( 0.997 4.338 -3.602) 5.727 3.112 ( -0.997 4.338 3.602) 5.727 3.316 ( 5.196 -4.321 -5.320) 8.601 3.316 ( -5.196 -4.321 5.320) 8.601 3.588 ( -2.454 6.413 0.109) 6.868 3.588 ( 2.454 6.413 -0.109) 6.868 3.828 ( 4.484 -2.381 -6.192) 8.007 3.828 ( -4.484 -2.381 6.192) 8.007 4.031 ( -4.064 -2.976 -0.253) 5.043 4.031 ( 4.064 -2.976 0.253) 5.043 4.195 ( -1.605 4.297 -2.962) 5.460 4.195 ( 1.605 4.297 2.962) 5.460 4.340 ( -6.100 4.399 -1.482) 7.665 4.340 ( 6.100 4.399 1.482) 7.665 4.433 ( -2.530 4.637 -1.946) 5.629 4.433 ( 2.530 4.637 1.946) 5.629 4.774 ( -3.935 11.146 -5.442) 13.013 4.774 ( 3.935 11.146 5.442) 13.013 4.940 ( -4.460 15.173 -1.911) 15.930 4.940 ( 4.460 15.173 1.911) 15.930 5.271 ( -1.506 0.019 -2.751) 3.137 5.271 ( 1.506 0.019 2.751) 3.137 5.399 ( -7.525 2.728 -4.982) 9.428 5.399 ( 7.525 2.728 4.982) 9.428 5.623 ( -3.525 -1.004 -1.077) 3.821 5.623 ( 3.525 -1.004 1.077) 3.821 5.926 ( -5.469 1.828 -3.541) 6.767 5.926 ( 5.469 1.828 3.541) 6.767 6.449 ( 4.367 3.235 -4.566) 7.098 6.449 ( -4.367 3.235 4.566) 7.098 6.745 ( -4.747 13.519 0.637) 14.342 6.745 ( 4.747 13.519 -0.637) 14.342 7.047 ( -4.465 11.056 0.244) 11.926 7.047 ( 4.465 11.056 -0.244) 11.926 7.354 ( 0.427 12.459 -2.843) 12.787 7.354 ( -0.427 12.459 2.843) 12.787 7.712 ( 2.020 8.906 -4.383) 10.130 7.712 ( -2.020 8.906 4.383) 10.130 8.176 ( 2.577 1.793 -8.942) 9.477 8.176 ( -2.577 1.793 8.942) 9.477 8.358 ( 3.958 -1.644 -6.045) 7.410 8.358 ( -3.958 -1.644 6.045) 7.410 8.407 ( 5.308 5.470 -8.243) 11.227 8.407 ( -5.308 5.470 8.243) 11.227 8.832 ( 0.650 1.514 -0.991) 1.923 8.832 ( -0.650 1.514 0.991) 1.923 8.984 ( -3.158 0.844 -6.436) 7.219 8.984 ( 3.158 0.844 6.436) 7.219 9.589 ( 2.348 7.935 -4.249) 9.302 9.589 ( -2.348 7.935 4.249) 9.302 10.004 ( 0.765 12.344 -2.878) 12.698 10.004 ( -0.765 12.344 2.878) 12.698 10.250 ( -7.958 2.248 -1.528) 8.409 10.250 ( 7.958 2.248 1.528) 8.409 10.483 ( -3.157 6.728 -2.816) 7.947 10.483 ( 3.157 6.728 2.816) 7.947 11.008 ( -8.085 1.542 1.636) 8.392 11.008 ( 8.085 1.542 -1.636) 8.392 11.341 ( -9.042 0.600 -2.104) 9.303 11.341 ( 9.042 0.600 2.104) 9.303 11.758 ( -0.798 11.548 -2.170) 11.777 11.758 ( 0.798 11.548 2.170) 11.777 12.174 ( -2.039 -3.951 -0.497) 4.474 12.174 ( 2.039 -3.951 0.497) 4.474 12.517 ( -3.398 -8.653 -3.174) 9.823 12.517 ( 3.398 -8.653 3.174) 9.823 12.831 ( -1.719 -15.209 -3.503) 15.701 12.831 ( 1.719 -15.209 3.503) 15.701 12.922 ( 0.158 -7.456 -4.698) 8.814 12.922 ( -0.158 -7.456 4.698) 8.814 13.105 ( -4.941 -5.372 -1.119) 7.384 13.105 ( 4.941 -5.372 1.119) 7.384 13.319 ( 2.114 -7.088 -9.650) 12.159 13.319 ( -2.114 -7.088 9.650) 12.159 13.698 ( -0.106 -20.011 -1.065) 20.039 13.698 ( 0.106 -20.011 1.065) 20.039 13.993 ( 1.407 -22.665 -2.517) 22.847 13.993 ( -1.407 -22.665 2.517) 22.847 14.327 ( -1.210 -9.713 -1.212) 9.863 14.327 ( 1.210 -9.713 1.212) 9.863 14.414 ( -1.600 -15.399 -0.165) 15.483 14.414 ( 1.600 -15.399 0.165) 15.483 14.512 ( 0.693 -12.271 -1.275) 12.357 14.512 ( -0.693 -12.271 1.275) 12.357 16.833 ( 0.574 26.218 -9.529) 27.902 16.833 ( -0.574 26.218 9.529) 27.902 17.685 ( 0.261 13.425 -2.989) 13.756 17.685 ( -0.261 13.425 2.989) 13.756 19.278 ( 0.960 29.295 -1.852) 29.369 19.278 ( -0.960 29.295 1.852) 29.369 20.053 ( -1.729 -0.292 0.002) 1.754 20.053 ( 1.729 -0.292 -0.002) 1.754 21.105 ( 0.025 -6.684 -1.602) 6.873 21.105 ( -0.025 -6.684 1.602) 6.873 21.731 ( 0.985 -13.680 -2.677) 13.974 21.731 ( -0.985 -13.680 2.677) 13.974 22.390 ( -2.324 6.996 0.218) 7.375 22.390 ( 2.324 6.996 -0.218) 7.375 22.807 ( 0.258 4.395 -2.936) 5.292 22.807 ( -0.258 4.395 2.936) 5.292 27.371 ( -0.466 8.241 -0.999) 8.314 27.371 ( 0.466 8.241 0.999) 8.314 27.635 ( -0.144 7.966 -5.340) 9.591 27.635 ( 0.144 7.966 5.340) 9.591 28.201 ( -0.588 14.088 -0.687) 14.117 28.201 ( 0.588 14.088 0.687) 14.117 28.407 ( -1.416 9.153 -1.278) 9.350 28.407 ( 1.416 9.153 1.278) 9.350 28.972 ( 0.574 6.394 -3.387) 7.258 28.972 ( -0.574 6.394 3.387) 7.258 29.292 ( 4.103 7.828 -6.981) 11.262 29.292 ( -4.103 7.828 6.981) 11.262 29.404 ( -1.415 -4.363 -0.645) 4.632 29.404 ( 1.415 -4.363 0.645) 4.632 29.487 ( 0.197 -2.968 -4.493) 5.388 29.487 ( -0.197 -2.968 4.493) 5.388 29.880 ( 0.641 6.224 -1.550) 6.446 29.880 ( -0.641 6.224 1.550) 6.446 30.118 ( 1.944 6.996 -5.210) 8.937 30.118 ( -1.944 6.996 5.210) 8.937 30.597 ( 3.977 -8.429 -2.635) 9.686 30.597 ( -3.977 -8.429 2.635) 9.686 30.735 ( -0.307 -8.445 -3.770) 9.253 30.735 ( 0.307 -8.445 3.770) 9.253 30.816 ( -1.329 -6.575 -1.237) 6.821 30.816 ( 1.329 -6.575 1.237) 6.821 31.129 ( -3.549 -11.684 -2.212) 12.410 31.129 ( 3.549 -11.684 2.212) 12.410 31.912 ( -0.503 -5.834 -0.775) 5.907 31.912 ( 0.503 -5.834 0.775) 5.907 32.441 ( -1.088 -21.075 -13.147) 24.863 32.441 ( 1.088 -21.075 13.147) 24.863 ======================= Grid point 119 (53/60) ======================= q-point: ( 0.25 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 4.358 11.232 -8.907) 14.983 1.533 ( 0.319 5.155 -0.827) 5.230 1.662 ( 4.106 8.819 -5.716) 11.283 1.703 ( 5.908 5.911 -6.767) 10.754 1.772 ( 4.900 7.811 9.452) 13.205 1.891 ( -3.693 7.206 -3.832) 8.958 1.929 ( -2.337 11.796 8.104) 14.501 2.057 ( -3.912 9.822 -1.923) 10.746 2.124 ( -8.415 4.365 2.632) 9.839 2.148 ( 2.616 3.928 2.497) 5.339 2.220 ( 7.003 4.186 2.554) 8.549 2.277 ( -1.346 2.096 0.054) 2.492 2.379 ( -5.215 0.521 2.246) 5.702 2.408 ( -0.196 4.534 -5.355) 7.020 2.538 ( -0.522 4.717 6.149) 7.768 2.603 ( 1.194 1.190 4.151) 4.480 2.645 ( -1.070 3.948 1.699) 4.430 2.677 ( -6.282 2.229 -2.008) 6.961 2.741 ( -0.707 2.439 -1.918) 3.182 2.802 ( -0.282 4.835 -3.660) 6.071 2.953 ( 6.341 -0.377 -1.739) 6.586 2.987 ( 3.173 0.738 0.887) 3.376 3.042 ( 1.120 1.353 2.523) 3.074 3.102 ( 2.656 1.022 1.221) 3.097 3.183 ( 2.469 2.501 -4.517) 5.723 3.198 ( 1.882 4.015 3.950) 5.938 3.266 ( 4.480 -2.459 2.040) 5.502 3.427 ( 4.541 -2.450 -3.813) 6.416 3.514 ( -3.772 6.556 -1.999) 7.823 3.615 ( 1.140 5.947 -0.382) 6.067 3.748 ( -3.679 -1.765 7.150) 8.232 3.860 ( -2.750 2.543 -6.966) 7.909 3.956 ( -1.705 -3.194 -1.855) 4.069 4.014 ( -5.513 -0.294 0.562) 5.549 4.224 ( 4.755 -2.374 -3.003) 6.105 4.277 ( 3.583 8.063 1.528) 8.955 4.321 ( 6.814 4.578 0.128) 8.211 4.390 ( -1.447 3.935 -0.282) 4.202 4.440 ( 3.274 1.671 2.685) 4.552 4.522 ( 2.095 4.300 0.774) 4.845 4.695 ( -0.081 10.352 -0.917) 10.393 4.823 ( -3.783 12.279 0.159) 12.850 4.869 ( 1.892 10.487 -0.567) 10.671 5.012 ( 1.759 12.541 0.792) 12.689 5.104 ( -8.996 6.114 -1.573) 10.990 5.268 ( -3.589 0.079 3.072) 4.725 5.337 ( -6.593 -0.941 -2.589) 7.146 5.378 ( 0.609 -3.276 -1.746) 3.762 5.692 ( 7.476 4.693 0.065) 8.827 5.769 ( 6.540 -1.141 -0.266) 6.645 5.834 ( -0.768 2.469 -0.348) 2.609 5.981 ( -1.120 1.410 3.346) 3.800 6.335 ( -5.644 0.235 2.579) 6.210 6.510 ( -12.234 4.435 1.696) 13.123 6.585 ( 9.261 9.347 -6.656) 14.746 6.832 ( 0.416 17.862 1.308) 17.914 6.985 ( -1.028 13.250 -1.783) 13.409 7.078 ( -3.229 15.080 1.384) 15.484 7.344 ( -1.325 15.475 4.002) 16.039 7.377 ( 1.025 8.162 -2.176) 8.509 7.687 ( 3.017 11.877 -0.429) 12.262 7.835 ( 4.367 7.452 -2.369) 8.956 8.091 ( -3.610 1.885 6.164) 7.388 8.160 ( -2.298 0.856 -7.156) 7.564 8.240 ( -3.485 1.194 5.785) 6.858 8.357 ( -1.101 -3.076 2.545) 4.141 8.407 ( 2.429 -2.244 -3.486) 4.805 8.519 ( 0.889 4.870 -1.605) 5.204 8.825 ( 0.029 0.321 1.052) 1.100 8.845 ( 2.071 3.275 0.744) 3.945 8.975 ( 2.829 2.261 -5.654) 6.715 9.116 ( 4.716 5.160 3.879) 7.995 9.520 ( -3.150 8.383 1.936) 9.163 9.572 ( -2.741 8.366 -3.151) 9.351 9.967 ( 0.353 14.661 2.897) 14.949 10.049 ( -0.181 9.561 3.092) 10.050 10.113 ( -2.803 4.598 -7.092) 8.905 10.328 ( -9.013 2.427 2.678) 9.710 10.414 ( 4.720 5.349 -0.784) 7.177 10.515 ( 0.124 3.281 0.776) 3.373 10.935 ( 0.934 1.598 1.982) 2.711 11.162 ( -5.660 0.534 -4.337) 7.150 11.237 ( 10.317 3.360 -0.740) 10.876 11.517 ( 5.355 0.637 4.784) 7.209 11.706 ( -1.671 12.200 -0.852) 12.343 11.771 ( -0.303 11.199 -0.196) 11.205 12.125 ( -0.536 -4.653 0.106) 4.685 12.220 ( 0.414 -3.647 -0.889) 3.777 12.440 ( -1.822 -8.403 -3.259) 9.195 12.579 ( -1.991 -10.119 1.707) 10.453 12.750 ( -1.521 -18.078 1.440) 18.199 12.854 ( -1.622 -15.047 0.744) 15.153 12.902 ( 1.331 -7.714 0.716) 7.860 12.973 ( 0.905 -5.691 -1.246) 5.896 13.058 ( 2.006 -4.714 -1.942) 5.478 13.198 ( 3.603 -5.533 1.818) 6.849 13.230 ( -5.362 -6.546 4.682) 9.671 13.328 ( -1.509 -5.763 -4.711) 7.595 13.703 ( 0.925 -21.301 0.051) 21.321 13.718 ( 0.833 -20.082 -0.076) 20.099 13.984 ( 0.279 -22.963 2.451) 23.095 14.018 ( 0.657 -21.038 -2.145) 21.157 14.304 ( -0.444 -11.130 -1.585) 11.251 14.341 ( -0.241 -9.062 1.384) 9.171 14.384 ( -0.412 -18.869 -0.077) 18.874 14.419 ( -1.326 -8.296 -0.350) 8.409 14.526 ( 2.300 -17.489 1.056) 17.671 14.547 ( 1.488 -11.133 -0.977) 11.275 16.809 ( -1.077 26.866 -0.614) 26.894 16.828 ( -1.204 26.742 0.174) 26.770 17.728 ( 3.948 11.141 0.950) 11.858 17.741 ( 3.978 11.422 -0.514) 12.106 19.164 ( -7.199 29.353 0.711) 30.231 19.191 ( -7.414 29.025 -0.681) 29.965 20.131 ( 7.735 0.846 -0.410) 7.792 20.188 ( 7.692 0.319 0.398) 7.709 21.097 ( 1.870 -5.188 0.004) 5.514 21.161 ( 2.832 -6.775 -0.621) 7.369 21.643 ( -5.174 -12.281 1.467) 13.407 21.710 ( -4.886 -13.034 -0.420) 13.926 22.328 ( -1.972 7.001 0.120) 7.274 22.391 ( -2.174 5.435 -0.107) 5.855 22.802 ( -0.026 4.832 0.340) 4.844 22.812 ( -0.042 4.418 -0.438) 4.440 27.359 ( -0.117 8.652 -0.188) 8.655 27.380 ( -0.188 8.126 0.855) 8.173 27.619 ( -0.105 8.396 -2.802) 8.852 27.642 ( -0.432 7.652 2.355) 8.018 28.212 ( 1.881 13.181 0.402) 13.321 28.236 ( 2.356 14.199 0.268) 14.396 28.358 ( -2.677 11.589 -1.073) 11.942 28.396 ( -2.636 9.373 0.114) 9.737 28.987 ( 2.074 6.977 1.469) 7.426 29.014 ( 2.976 4.436 -2.317) 5.823 29.203 ( -4.297 9.480 6.130) 12.079 29.287 ( -4.117 3.829 -4.411) 7.146 29.386 ( 0.338 -1.685 -0.735) 1.869 29.429 ( 0.691 -3.021 -0.013) 3.099 29.466 ( -0.813 -3.237 -1.437) 3.634 29.493 ( -0.052 -2.141 0.117) 2.145 29.866 ( -0.360 6.942 0.932) 7.013 29.880 ( -0.717 6.696 0.003) 6.734 30.097 ( -0.294 5.614 3.368) 6.553 30.124 ( -0.798 6.280 -4.662) 7.862 30.545 ( -0.165 -7.545 3.690) 8.401 30.612 ( -1.123 -9.182 -3.140) 9.768 30.771 ( 0.692 -6.007 1.448) 6.217 30.778 ( 2.653 -7.404 0.535) 7.883 30.809 ( 2.050 -6.737 0.069) 7.042 30.952 ( 9.484 -14.628 0.607) 17.444 31.044 ( -4.082 -8.754 -1.140) 9.726 31.179 ( 0.725 -14.801 1.436) 14.888 31.896 ( -0.305 -4.823 0.212) 4.837 31.922 ( -0.117 -6.513 -1.612) 6.711 32.410 ( 0.323 -18.822 -11.910) 22.276 32.460 ( -1.072 -21.287 11.343) 24.145 ======================= Grid point 120 (54/60) ======================= q-point: ( 0.50 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 4.399 7.916 -3.663) 9.769 1.493 ( -4.399 7.916 3.663) 9.769 1.737 ( 1.236 11.383 -2.126) 11.646 1.737 ( -1.236 11.383 2.126) 11.646 1.831 ( -0.316 9.510 -7.946) 12.397 1.831 ( 0.316 9.510 7.946) 12.397 1.960 ( -4.614 4.973 -5.272) 8.591 1.960 ( 4.614 4.973 5.272) 8.591 2.087 ( 5.595 3.071 -6.576) 9.164 2.087 ( -5.595 3.071 6.576) 9.164 2.284 ( 0.085 1.882 -2.146) 2.855 2.284 ( -0.085 1.882 2.146) 2.855 2.388 ( -4.478 3.970 -5.913) 8.413 2.388 ( 4.478 3.970 5.913) 8.413 2.525 ( -2.583 3.365 -2.310) 4.830 2.525 ( 2.583 3.365 2.310) 4.830 2.662 ( -0.478 4.519 -5.941) 7.480 2.662 ( 0.478 4.519 5.941) 7.480 2.753 ( -3.045 3.124 -3.599) 5.656 2.753 ( 3.045 3.124 3.599) 5.656 3.033 ( 1.975 1.887 -6.443) 6.998 3.033 ( -1.975 1.887 6.443) 6.998 3.095 ( 2.013 0.660 -2.881) 3.577 3.095 ( -2.013 0.660 2.881) 3.577 3.234 ( 4.863 -1.928 -4.356) 6.808 3.234 ( -4.863 -1.928 4.356) 6.808 3.349 ( -5.583 2.197 -4.788) 7.676 3.349 ( 5.583 2.197 4.788) 7.676 3.586 ( -4.932 5.659 -0.226) 7.510 3.586 ( 4.932 5.659 0.226) 7.510 3.760 ( -2.769 2.926 -7.418) 8.441 3.760 ( 2.769 2.926 7.418) 8.441 3.936 ( 0.695 -2.951 -6.892) 7.530 3.936 ( -0.695 -2.951 6.892) 7.530 4.305 ( -3.014 6.033 -1.542) 6.917 4.305 ( 3.014 6.033 1.542) 6.917 4.399 ( -0.842 1.110 -0.322) 1.429 4.399 ( 0.842 1.110 0.322) 1.429 4.520 ( -2.492 2.655 -2.455) 4.392 4.520 ( 2.492 2.655 2.455) 4.392 4.709 ( -1.020 8.527 -1.276) 8.682 4.709 ( 1.020 8.527 1.276) 8.682 4.972 ( -3.692 9.404 -2.758) 10.473 4.972 ( 3.692 9.404 2.758) 10.473 5.097 ( -2.066 8.222 -5.823) 10.285 5.097 ( 2.066 8.222 5.823) 10.285 5.336 ( -1.599 -5.867 -7.208) 9.431 5.336 ( 1.599 -5.867 7.208) 9.431 5.805 ( 1.628 2.550 -3.007) 4.266 5.805 ( -1.628 2.550 3.007) 4.266 5.910 ( -1.980 2.379 -3.372) 4.577 5.910 ( 1.980 2.379 3.372) 4.577 6.316 ( -4.739 0.768 -1.803) 5.128 6.316 ( 4.739 0.768 1.803) 5.128 6.775 ( 6.242 14.175 -6.019) 16.617 6.775 ( -6.242 14.175 6.019) 16.617 6.991 ( 0.574 15.691 -3.525) 16.092 6.991 ( -0.574 15.691 3.525) 16.092 7.350 ( -0.944 12.887 -3.764) 13.458 7.350 ( 0.944 12.887 3.764) 13.458 7.790 ( 0.475 9.813 -2.308) 10.092 7.790 ( -0.475 9.813 2.308) 10.092 8.108 ( -1.968 1.829 -5.888) 6.472 8.108 ( 1.968 1.829 5.888) 6.472 8.294 ( -4.549 -2.068 -0.838) 5.067 8.294 ( 4.549 -2.068 0.838) 5.067 8.465 ( 3.343 -1.616 -4.053) 5.497 8.465 ( -3.343 -1.616 4.053) 5.497 8.846 ( -0.898 0.480 -5.633) 5.724 8.846 ( 0.898 0.480 5.633) 5.724 9.087 ( 3.122 8.872 -7.025) 11.740 9.087 ( -3.122 8.872 7.025) 11.740 9.515 ( -0.453 8.771 -1.122) 8.854 9.515 ( 0.453 8.771 1.122) 8.854 10.031 ( -3.052 13.654 -4.460) 14.684 10.031 ( 3.052 13.654 4.460) 14.684 10.127 ( 2.246 2.524 -4.700) 5.789 10.127 ( -2.246 2.524 4.700) 5.789 10.495 ( -2.242 1.680 -1.439) 3.149 10.495 ( 2.242 1.680 1.439) 3.149 11.020 ( -5.786 2.123 -3.127) 6.911 11.020 ( 5.786 2.123 3.127) 6.911 11.455 ( 8.583 3.062 -5.552) 10.671 11.455 ( -8.583 3.062 5.552) 10.671 11.748 ( 0.528 11.475 -0.676) 11.507 11.748 ( -0.528 11.475 0.676) 11.507 12.168 ( -2.398 -5.513 -1.808) 6.278 12.168 ( 2.398 -5.513 1.808) 6.278 12.473 ( 2.345 -9.693 -4.437) 10.916 12.473 ( -2.345 -9.693 4.437) 10.916 12.789 ( -2.049 -17.765 -2.711) 18.087 12.789 ( 2.049 -17.765 2.711) 18.087 12.960 ( -0.512 -5.053 -4.741) 6.948 12.960 ( 0.512 -5.053 4.741) 6.948 13.128 ( 4.490 -6.410 -3.962) 8.772 13.128 ( -4.490 -6.410 3.962) 8.772 13.270 ( -3.043 -4.540 -2.910) 6.192 13.270 ( 3.043 -4.540 2.910) 6.192 13.720 ( -0.088 -21.316 -1.135) 21.346 13.720 ( 0.088 -21.316 1.135) 21.346 14.006 ( -1.231 -21.431 -2.153) 21.574 14.006 ( 1.231 -21.431 2.153) 21.574 14.316 ( 1.607 -10.887 -1.694) 11.134 14.316 ( -1.607 -10.887 1.694) 11.134 14.396 ( -0.634 -13.344 -0.421) 13.366 14.396 ( 0.634 -13.344 0.421) 13.366 14.558 ( -0.277 -14.235 -1.599) 14.327 14.558 ( 0.277 -14.235 1.599) 14.327 16.804 ( 0.552 27.316 -8.108) 28.499 16.804 ( -0.552 27.316 8.108) 28.499 17.786 ( 0.114 8.987 -4.087) 9.873 17.786 ( -0.114 8.987 4.087) 9.873 19.089 ( -0.145 29.992 -1.474) 30.029 19.089 ( 0.145 29.992 1.474) 30.029 20.251 ( 0.608 0.723 -1.436) 1.719 20.251 ( -0.608 0.723 1.436) 1.719 21.168 ( -1.806 -4.986 -0.538) 5.330 21.168 ( 1.806 -4.986 0.538) 5.330 21.602 ( -1.300 -11.534 -1.677) 11.727 21.602 ( 1.300 -11.534 1.677) 11.727 22.337 ( -1.028 5.121 -1.030) 5.323 22.337 ( 1.028 5.121 1.030) 5.323 22.806 ( 0.146 4.810 -2.870) 5.603 22.806 ( -0.146 4.810 2.870) 5.603 27.368 ( 0.413 8.591 -0.632) 8.624 27.368 ( -0.413 8.591 0.632) 8.624 27.627 ( 0.700 8.018 -5.744) 9.888 27.627 ( -0.700 8.018 5.744) 9.888 28.260 ( -1.444 12.493 -1.500) 12.666 28.260 ( 1.444 12.493 1.500) 12.666 28.333 ( -1.476 12.609 -0.969) 12.732 28.333 ( 1.476 12.609 0.969) 12.732 29.035 ( -1.403 5.603 -1.473) 5.961 29.035 ( 1.403 5.603 1.473) 5.961 29.192 ( -3.203 6.359 -3.677) 8.013 29.192 ( 3.203 6.359 3.677) 8.013 29.406 ( -0.427 -2.604 -1.029) 2.832 29.406 ( 0.427 -2.604 1.029) 2.832 29.480 ( 0.475 -1.720 -4.181) 4.546 29.480 ( -0.475 -1.720 4.181) 4.546 29.867 ( 0.318 7.243 -0.180) 7.252 29.867 ( -0.318 7.243 0.180) 7.252 30.104 ( -0.447 4.917 -2.719) 5.637 30.104 ( 0.447 4.917 2.719) 5.637 30.575 ( -1.912 -8.127 -3.105) 8.907 30.575 ( 1.912 -8.127 3.105) 8.907 30.782 ( -0.539 -4.974 -2.946) 5.806 30.782 ( 0.539 -4.974 2.946) 5.806 30.917 ( -6.092 -11.032 -2.242) 12.800 30.917 ( 6.092 -11.032 2.242) 12.800 31.137 ( -5.433 -15.551 -1.050) 16.506 31.137 ( 5.433 -15.551 1.050) 16.506 31.905 ( -0.937 -5.365 -2.142) 5.852 31.905 ( 0.937 -5.365 2.142) 5.852 32.431 ( 2.568 -19.132 -10.439) 21.945 32.431 ( -2.568 -19.132 10.439) 21.945 ======================= Grid point 123 (55/60) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.005 8.237 -3.672) 9.019 1.528 ( -0.005 8.237 3.672) 9.019 1.871 ( -3.094 8.753 -4.257) 10.214 1.871 ( 3.094 8.753 4.257) 10.214 2.028 ( -9.351 11.329 -3.770) 15.166 2.028 ( 9.351 11.329 3.770) 15.166 2.085 ( -2.603 2.996 0.466) 3.996 2.085 ( 2.603 2.996 -0.466) 3.996 2.223 ( 1.231 1.943 -3.901) 4.529 2.223 ( -1.231 1.943 3.901) 4.529 2.323 ( 2.830 2.006 -4.435) 5.630 2.323 ( -2.830 2.006 4.435) 5.630 2.462 ( -0.340 -0.941 -1.036) 1.440 2.462 ( 0.340 -0.941 1.036) 1.440 2.571 ( -2.234 4.593 -7.161) 8.795 2.571 ( 2.234 4.593 7.161) 8.795 2.762 ( -1.366 0.808 -4.004) 4.307 2.762 ( 1.366 0.808 4.004) 4.307 2.895 ( -5.268 4.991 -4.544) 8.562 2.895 ( 5.268 4.991 4.544) 8.562 2.952 ( -3.629 1.360 -4.877) 6.229 2.952 ( 3.629 1.360 4.877) 6.229 2.999 ( -4.700 -2.361 -3.474) 6.303 2.999 ( 4.700 -2.361 3.474) 6.303 3.154 ( 3.593 -1.809 -4.909) 6.347 3.154 ( -3.593 -1.809 4.909) 6.347 3.329 ( -0.881 5.653 -1.603) 5.941 3.329 ( 0.881 5.653 1.603) 5.941 3.678 ( 0.996 0.294 -1.898) 2.164 3.678 ( -0.996 0.294 1.898) 2.164 3.724 ( 2.995 -6.489 -5.614) 9.088 3.724 ( -2.995 -6.489 5.614) 9.088 3.974 ( -3.204 -0.365 -1.874) 3.730 3.974 ( 3.204 -0.365 1.874) 3.730 4.240 ( 1.310 1.838 -3.443) 4.116 4.240 ( -1.310 1.838 3.443) 4.116 4.347 ( -2.048 -2.255 -1.209) 3.277 4.347 ( 2.048 -2.255 1.209) 3.277 4.519 ( -3.353 3.386 -1.721) 5.067 4.519 ( 3.353 3.386 1.721) 5.067 4.956 ( -5.363 6.684 -6.812) 10.948 4.956 ( 5.363 6.684 6.812) 10.948 5.137 ( -4.417 5.170 -0.905) 6.860 5.137 ( 4.417 5.170 0.905) 6.860 5.270 ( 1.633 -0.298 -2.327) 2.859 5.270 ( -1.633 -0.298 2.327) 2.859 5.418 ( -3.464 -1.980 -7.720) 8.690 5.418 ( 3.464 -1.980 7.720) 8.690 5.661 ( 1.056 4.560 -2.249) 5.193 5.661 ( -1.056 4.560 2.249) 5.193 5.989 ( -2.643 1.952 -4.075) 5.234 5.989 ( 2.643 1.952 4.075) 5.234 6.490 ( 3.997 3.103 -3.307) 6.045 6.490 ( -3.997 3.103 3.307) 6.045 6.907 ( 3.899 2.910 -3.372) 5.919 6.907 ( -3.899 2.910 3.372) 5.919 7.338 ( -0.907 17.769 -1.347) 17.843 7.338 ( 0.907 17.769 1.347) 17.843 7.714 ( -1.908 20.510 -3.897) 20.964 7.714 ( 1.908 20.510 3.897) 20.964 7.928 ( 1.094 13.385 -2.147) 13.600 7.928 ( -1.094 13.385 2.147) 13.600 8.186 ( 0.673 -0.406 -10.567) 10.596 8.186 ( -0.673 -0.406 10.567) 10.596 8.319 ( -1.781 0.151 -1.254) 2.183 8.319 ( 1.781 0.151 1.254) 2.183 8.543 ( 6.168 5.770 -2.943) 8.944 8.543 ( -6.168 5.770 2.943) 8.944 8.810 ( -0.089 -4.541 -3.499) 5.733 8.810 ( 0.089 -4.541 3.499) 5.733 8.981 ( -8.349 -0.870 -4.011) 9.303 8.981 ( 8.349 -0.870 4.011) 9.303 9.777 ( 2.805 11.321 -3.471) 12.169 9.777 ( -2.805 11.321 3.471) 12.169 10.200 ( 5.619 7.242 -5.825) 10.860 10.200 ( -5.619 7.242 5.825) 10.860 10.291 ( -3.034 4.164 -4.015) 6.531 10.291 ( 3.034 4.164 4.015) 6.531 10.677 ( -0.168 10.089 -5.369) 11.430 10.677 ( 0.168 10.089 5.369) 11.430 11.067 ( -7.048 4.482 -1.414) 8.471 11.067 ( 7.048 4.482 1.414) 8.471 11.326 ( -6.039 -1.785 -2.863) 6.917 11.326 ( 6.039 -1.785 2.863) 6.917 11.926 ( -2.158 2.403 -0.066) 3.230 11.926 ( 2.158 2.403 0.066) 3.230 12.022 ( -4.189 -8.846 0.345) 9.793 12.022 ( 4.189 -8.846 -0.345) 9.793 12.330 ( -3.087 -9.558 -0.899) 10.084 12.330 ( 3.087 -9.558 0.899) 10.084 12.509 ( -3.250 -16.101 -1.896) 16.534 12.509 ( 3.250 -16.101 1.896) 16.534 12.854 ( -2.091 -1.669 -3.124) 4.113 12.854 ( 2.091 -1.669 3.124) 4.113 13.013 ( 1.354 -2.487 -1.747) 3.327 13.013 ( -1.354 -2.487 1.747) 3.327 13.184 ( 1.361 -7.074 -3.891) 8.187 13.184 ( -1.361 -7.074 3.891) 8.187 13.324 ( -0.897 -16.743 -2.499) 16.953 13.324 ( 0.897 -16.743 2.499) 16.953 13.599 ( 2.522 -14.731 -3.257) 15.296 13.599 ( -2.522 -14.731 3.257) 15.296 14.011 ( -1.843 -18.455 -2.097) 18.665 14.011 ( 1.843 -18.455 2.097) 18.665 14.262 ( 0.961 -2.901 -1.814) 3.554 14.262 ( -0.961 -2.901 1.814) 3.554 14.363 ( -0.772 -5.429 -0.647) 5.522 14.363 ( 0.772 -5.429 0.647) 5.522 17.290 ( 0.937 20.524 -7.760) 21.962 17.290 ( -0.937 20.524 7.760) 21.962 17.854 ( -0.173 3.444 -3.538) 4.940 17.854 ( 0.173 3.444 3.538) 4.940 19.863 ( 0.659 30.281 -0.985) 30.304 19.863 ( -0.659 30.281 0.985) 30.304 20.159 ( -2.242 10.592 0.147) 10.828 20.159 ( 2.242 10.592 -0.147) 10.828 20.953 ( -0.594 -9.307 -1.246) 9.408 20.953 ( 0.594 -9.307 1.246) 9.408 21.409 ( 0.721 -19.413 -1.821) 19.511 21.409 ( -0.721 -19.413 1.821) 19.511 22.515 ( -1.105 6.230 -0.220) 6.331 22.515 ( 1.105 6.230 0.220) 6.331 22.832 ( 0.265 -1.573 -2.397) 2.879 22.832 ( -0.265 -1.573 2.397) 2.879 27.526 ( -0.277 7.267 -1.028) 7.345 27.526 ( 0.277 7.267 1.028) 7.345 27.761 ( 0.046 4.648 -4.641) 6.568 27.761 ( -0.046 4.648 4.641) 6.568 28.410 ( -0.854 7.465 -0.907) 7.569 28.410 ( 0.854 7.465 0.907) 7.569 28.530 ( -0.514 3.642 -0.854) 3.776 28.530 ( 0.514 3.642 0.854) 3.776 29.081 ( -0.315 4.286 -2.787) 5.123 29.081 ( 0.315 4.286 2.787) 5.123 29.281 ( 0.128 -5.572 -0.957) 5.655 29.281 ( -0.128 -5.572 0.957) 5.655 29.449 ( 1.875 6.606 -3.023) 7.503 29.449 ( -1.875 6.606 3.023) 7.503 29.500 ( -1.535 4.311 -1.708) 4.884 29.500 ( 1.535 4.311 1.708) 4.884 30.008 ( 0.442 6.137 -2.627) 6.691 30.008 ( -0.442 6.137 2.627) 6.691 30.226 ( 1.345 3.779 -1.889) 4.434 30.226 ( -1.345 3.779 1.889) 4.434 30.425 ( 1.603 -8.750 -2.805) 9.327 30.425 ( -1.603 -8.750 2.805) 9.327 30.578 ( -3.402 -7.361 -2.426) 8.465 30.578 ( 3.402 -7.361 2.426) 8.465 30.715 ( 0.033 -3.329 -1.387) 3.606 30.715 ( -0.033 -3.329 1.387) 3.606 30.928 ( -1.098 -8.840 -0.201) 8.910 30.928 ( 1.098 -8.840 0.201) 8.910 31.828 ( 0.109 -2.504 -0.842) 2.644 31.828 ( -0.109 -2.504 0.842) 2.644 32.109 ( -0.264 -13.398 -6.671) 14.970 32.109 ( 0.264 -13.398 6.671) 14.970 ======================= Grid point 125 (56/60) ======================= q-point: ( 0.25 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 5.355 7.374 -0.506) 9.127 1.693 ( 9.267 11.510 -4.333) 15.399 1.779 ( -1.708 6.312 -1.650) 6.744 1.883 ( 0.075 8.800 0.127) 8.801 1.951 ( 2.671 9.700 -3.028) 10.507 2.026 ( -2.192 6.427 -1.665) 6.992 2.123 ( -0.387 5.836 1.948) 6.165 2.189 ( -2.251 3.005 2.829) 4.701 2.206 ( -5.865 4.930 4.121) 8.699 2.246 ( -0.243 5.638 -0.172) 5.646 2.278 ( -1.448 0.433 -3.087) 3.437 2.312 ( 6.996 4.842 4.250) 9.511 2.374 ( -3.883 0.350 1.103) 4.052 2.509 ( -1.412 4.987 -3.615) 6.319 2.595 ( 3.047 -1.443 -0.846) 3.476 2.606 ( 5.409 -0.838 4.807) 7.284 2.710 ( -4.394 1.670 0.157) 4.704 2.752 ( -3.170 5.024 -0.375) 5.952 2.799 ( -2.813 4.997 1.188) 5.856 2.885 ( -0.781 3.969 -4.762) 6.248 2.939 ( 0.817 -3.089 0.803) 3.294 2.996 ( 1.010 -1.761 -1.874) 2.763 3.046 ( 5.432 2.332 0.474) 5.930 3.115 ( 1.829 0.889 5.027) 5.423 3.134 ( 5.372 -0.874 2.907) 6.171 3.244 ( 4.335 -0.152 -4.593) 6.317 3.308 ( -0.984 2.187 1.506) 2.832 3.417 ( 3.624 2.783 1.188) 4.721 3.608 ( -2.535 1.086 -2.166) 3.507 3.679 ( -0.022 -3.314 8.247) 8.888 3.701 ( 0.672 1.649 -0.837) 1.968 3.840 ( 4.597 -5.522 -4.655) 8.561 3.921 ( -1.558 1.884 -6.155) 6.623 4.005 ( -3.235 0.936 -0.786) 3.458 4.164 ( 0.476 -1.238 -0.822) 1.561 4.288 ( 2.143 -2.951 0.956) 3.771 4.356 ( 1.680 2.659 0.047) 3.145 4.403 ( 2.572 -3.149 2.898) 4.993 4.453 ( 0.128 -1.743 2.880) 3.369 4.611 ( 0.569 2.315 -2.627) 3.548 4.845 ( -1.984 5.182 -2.776) 6.205 4.955 ( -6.833 3.085 3.186) 8.146 5.006 ( -7.353 3.742 -2.635) 8.661 5.158 ( -2.643 2.771 1.543) 4.128 5.204 ( -0.933 1.268 2.911) 3.310 5.272 ( -3.487 -1.052 -5.546) 6.635 5.319 ( -1.197 -1.782 -0.282) 2.165 5.351 ( -6.045 0.937 1.608) 6.325 5.760 ( 4.010 0.820 3.087) 5.126 5.786 ( 6.581 4.049 -1.495) 7.870 5.909 ( 2.567 1.455 -0.587) 3.008 6.027 ( -3.024 1.713 1.557) 3.808 6.429 ( -2.381 8.699 0.940) 9.068 6.589 ( 0.678 9.193 -2.179) 9.472 6.769 ( 3.763 6.717 -0.264) 7.704 7.099 ( 5.309 5.021 0.817) 7.353 7.319 ( -0.807 18.413 -1.135) 18.466 7.370 ( 1.217 15.302 0.371) 15.355 7.676 ( -0.752 21.884 -2.300) 22.017 7.722 ( -1.802 20.494 4.191) 20.996 7.927 ( 1.286 11.369 0.061) 11.442 7.998 ( 3.106 11.089 -4.380) 12.321 8.124 ( -3.224 0.948 4.026) 5.244 8.164 ( -2.316 0.673 -4.281) 4.913 8.255 ( -2.172 0.054 1.853) 2.856 8.290 ( -3.183 -2.060 4.969) 6.250 8.423 ( -2.316 3.496 -4.278) 5.991 8.559 ( -6.616 -1.108 3.096) 7.388 8.809 ( 0.957 -1.958 -1.717) 2.774 8.854 ( -2.985 -3.183 0.254) 4.371 8.970 ( 11.901 -2.842 -4.921) 13.188 9.164 ( 6.265 -0.471 4.782) 7.896 9.723 ( -1.713 12.327 0.961) 12.483 9.784 ( -2.034 12.984 -3.184) 13.523 10.119 ( -0.797 5.052 5.728) 7.679 10.206 ( -2.381 2.618 -4.590) 5.796 10.316 ( 2.785 15.446 -2.603) 15.910 10.373 ( 2.625 5.154 3.139) 6.581 10.611 ( -3.960 10.937 -3.473) 12.139 10.643 ( -3.541 9.628 3.043) 10.700 10.971 ( -0.144 2.241 2.275) 3.196 11.155 ( -4.461 -0.890 -3.689) 5.857 11.317 ( 10.281 3.973 1.358) 11.105 11.493 ( 6.834 -3.389 1.574) 7.788 11.847 ( -2.921 -0.429 -0.630) 3.019 11.927 ( -2.314 2.740 -1.564) 3.912 11.979 ( -0.893 -10.531 -0.237) 10.571 12.085 ( -0.296 -8.610 -0.398) 8.624 12.241 ( -2.513 -10.028 0.776) 10.368 12.390 ( -6.285 -13.033 0.638) 14.483 12.404 ( 3.612 -9.025 1.090) 9.782 12.549 ( -1.191 -14.635 -0.321) 14.687 12.828 ( 1.692 -1.888 -3.049) 3.965 12.906 ( 1.578 -3.419 1.302) 3.985 12.989 ( 0.160 -1.400 1.843) 2.320 13.075 ( -2.197 -5.428 1.080) 5.955 13.108 ( 1.496 -6.208 -0.917) 6.451 13.222 ( -0.594 -5.451 -1.316) 5.639 13.296 ( 0.622 -18.616 -0.761) 18.642 13.357 ( 0.194 -15.750 1.226) 15.799 13.582 ( 0.773 -14.387 2.032) 14.550 13.640 ( 0.858 -14.782 -1.930) 14.932 13.997 ( 1.337 -17.596 -2.323) 17.799 14.045 ( 0.455 -16.127 2.547) 16.334 14.253 ( -0.173 -2.775 1.244) 3.046 14.293 ( 2.457 -5.828 -2.041) 6.646 14.314 ( -2.809 -4.172 0.095) 5.030 14.376 ( -0.518 -6.989 0.303) 7.015 17.273 ( -0.659 20.844 3.577) 21.159 17.294 ( -0.260 20.915 -3.854) 21.269 17.860 ( 1.490 2.209 -1.728) 3.176 17.882 ( 1.203 2.402 1.955) 3.323 19.755 ( -5.820 30.688 0.487) 31.239 19.775 ( -6.350 30.425 -0.452) 31.084 20.248 ( 7.238 10.614 -0.423) 12.854 20.290 ( 6.736 9.587 0.437) 11.725 20.973 ( 3.276 -8.074 -1.061) 8.778 21.006 ( 3.657 -9.527 0.698) 10.229 21.346 ( -4.099 -18.218 0.885) 18.694 21.392 ( -3.413 -19.411 -0.404) 19.712 22.466 ( -2.482 7.332 -0.461) 7.755 22.498 ( -2.543 5.860 0.508) 6.408 22.832 ( -0.037 -1.572 1.672) 2.295 22.835 ( 0.127 -1.841 -1.773) 2.559 27.520 ( 0.065 7.516 -0.514) 7.534 27.533 ( -0.011 7.171 0.878) 7.225 27.751 ( -0.087 4.839 -2.358) 5.384 27.764 ( -0.351 4.487 2.085) 4.960 28.406 ( 0.771 7.000 0.151) 7.044 28.440 ( 1.481 6.938 0.345) 7.103 28.507 ( -1.358 3.997 -0.826) 4.302 28.528 ( -0.716 4.372 0.181) 4.434 29.086 ( 1.213 3.365 -1.449) 3.859 29.104 ( 1.119 3.730 1.276) 4.098 29.268 ( -0.858 -4.934 0.378) 5.023 29.276 ( -0.837 -3.964 0.069) 4.051 29.406 ( -1.701 7.897 2.891) 8.580 29.444 ( -2.394 5.330 -1.576) 6.052 29.499 ( 1.639 4.654 -3.186) 5.874 29.522 ( 0.336 4.443 1.233) 4.623 30.003 ( -0.271 6.357 2.432) 6.812 30.008 ( -0.135 5.957 -1.985) 6.280 30.197 ( -0.856 4.087 0.350) 4.190 30.231 ( -1.362 3.990 -1.535) 4.487 30.398 ( -0.117 -6.954 3.213) 7.662 30.433 ( -0.434 -8.693 -2.146) 8.964 30.583 ( 3.334 -9.295 -0.964) 9.922 30.659 ( 2.065 -10.154 0.946) 10.405 30.713 ( 0.007 -3.488 -0.082) 3.489 30.730 ( 1.401 -4.362 0.124) 4.583 30.894 ( -1.042 -6.867 0.879) 7.001 30.943 ( -0.322 -9.744 -0.390) 9.757 31.826 ( 0.016 -2.108 0.331) 2.134 31.832 ( 0.080 -2.643 -0.892) 2.791 32.104 ( 0.694 -12.724 -5.888) 14.037 32.122 ( -0.056 -13.753 6.005) 15.007 ======================= Grid point 126 (57/60) ======================= q-point: ( 0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -3.918 9.354 -2.534) 10.453 1.666 ( 3.918 9.354 2.534) 10.453 1.926 ( -5.339 6.584 -0.152) 8.478 1.926 ( 5.339 6.584 0.152) 8.478 2.006 ( -1.276 5.902 -3.852) 7.163 2.006 ( 1.276 5.902 3.852) 7.163 2.057 ( 1.158 8.160 -1.951) 8.470 2.057 ( -1.158 8.160 1.951) 8.470 2.181 ( 1.327 6.492 -1.128) 6.722 2.181 ( -1.327 6.492 1.128) 6.722 2.305 ( -1.263 0.918 -0.673) 1.700 2.305 ( 1.263 0.918 0.673) 1.700 2.466 ( -5.023 3.156 -3.659) 6.970 2.466 ( 5.023 3.156 3.659) 6.970 2.608 ( 1.982 3.273 -2.573) 4.610 2.608 ( -1.982 3.273 2.573) 4.610 2.740 ( 1.481 3.123 -6.350) 7.230 2.740 ( -1.481 3.123 6.350) 7.230 2.795 ( -5.358 0.927 -5.174) 7.506 2.795 ( 5.358 0.927 5.174) 7.506 2.983 ( -1.548 -4.368 -1.822) 4.980 2.983 ( 1.548 -4.368 1.822) 4.980 3.159 ( 1.197 4.206 -2.572) 5.074 3.159 ( -1.197 4.206 2.572) 5.074 3.224 ( -0.318 3.127 -3.964) 5.059 3.224 ( 0.318 3.127 3.964) 5.059 3.353 ( -0.282 -2.994 -4.679) 5.562 3.353 ( 0.282 -2.994 4.679) 5.562 3.653 ( 3.312 2.245 -3.744) 5.479 3.653 ( -3.312 2.245 3.744) 5.479 3.788 ( -5.634 -0.040 -6.701) 8.755 3.788 ( 5.634 -0.040 6.701) 8.755 3.920 ( 0.767 1.731 -7.498) 7.733 3.920 ( -0.767 1.731 7.498) 7.733 4.272 ( -7.233 -2.303 1.016) 7.659 4.272 ( 7.233 -2.303 -1.016) 7.659 4.395 ( 0.167 -5.004 -0.721) 5.059 4.395 ( -0.167 -5.004 0.721) 5.059 4.547 ( -3.749 -0.225 -4.851) 6.135 4.547 ( 3.749 -0.225 4.851) 6.135 4.815 ( -1.534 2.480 0.141) 2.919 4.815 ( 1.534 2.480 -0.141) 2.919 5.034 ( -7.536 0.070 0.257) 7.541 5.034 ( 7.536 0.070 -0.257) 7.541 5.231 ( -1.725 -1.197 -9.784) 10.006 5.231 ( 1.725 -1.197 9.784) 10.006 5.284 ( -0.590 3.049 -1.169) 3.319 5.284 ( 0.590 3.049 1.169) 3.319 5.820 ( 0.265 1.073 -3.314) 3.494 5.820 ( -0.265 1.073 3.314) 3.494 5.981 ( 0.321 0.108 -2.946) 2.966 5.981 ( -0.321 0.108 2.946) 2.966 6.464 ( 0.814 15.654 -1.913) 15.791 6.464 ( -0.814 15.654 1.913) 15.791 7.020 ( 2.755 8.210 -6.282) 10.699 7.020 ( -2.755 8.210 6.282) 10.699 7.342 ( -0.894 17.784 -2.311) 17.956 7.342 ( 0.894 17.784 2.311) 17.956 7.685 ( 1.451 20.442 -2.162) 20.607 7.685 ( -1.451 20.442 2.162) 20.607 7.972 ( -2.955 8.845 -0.088) 9.326 7.972 ( 2.955 8.845 0.088) 9.326 8.127 ( -1.021 1.443 -4.323) 4.670 8.127 ( 1.021 1.443 4.323) 4.670 8.269 ( -0.172 -2.269 -0.835) 2.424 8.269 ( 0.172 -2.269 0.835) 2.424 8.417 ( 2.324 -0.685 -6.159) 6.618 8.417 ( -2.324 -0.685 6.159) 6.618 8.823 ( 0.692 -3.216 -8.867) 9.457 8.823 ( -0.692 -3.216 8.867) 9.457 9.169 ( 5.796 -1.179 -6.247) 8.602 9.169 ( -5.796 -1.179 6.247) 8.602 9.731 ( -1.775 12.966 -0.409) 13.093 9.731 ( 1.775 12.966 0.409) 13.093 10.155 ( -1.209 3.450 -8.295) 9.064 10.155 ( 1.209 3.450 8.295) 9.064 10.359 ( 1.880 15.990 -2.589) 16.307 10.359 ( -1.880 15.990 2.589) 16.307 10.586 ( 1.282 7.973 -1.118) 8.152 10.586 ( -1.282 7.973 1.118) 8.152 11.042 ( -5.406 0.171 -3.826) 6.625 11.042 ( 5.406 0.171 3.826) 6.625 11.507 ( -1.328 1.303 -1.060) 2.141 11.507 ( 1.328 1.303 1.060) 2.141 11.865 ( 0.470 -2.030 -3.118) 3.750 11.865 ( -0.470 -2.030 3.118) 3.750 11.995 ( 2.885 -11.616 -1.625) 12.078 11.995 ( -2.885 -11.616 1.625) 12.078 12.282 ( -4.450 -8.060 0.943) 9.255 12.282 ( 4.450 -8.060 -0.943) 9.255 12.485 ( -3.157 -11.081 -2.075) 11.707 12.485 ( 3.157 -11.081 2.075) 11.707 12.894 ( 2.970 -2.446 -5.106) 6.393 12.894 ( -2.970 -2.446 5.106) 6.393 13.007 ( 0.277 -6.492 -1.455) 6.659 13.007 ( -0.277 -6.492 1.455) 6.659 13.176 ( 0.337 -5.380 -2.487) 5.937 13.176 ( -0.337 -5.380 2.487) 5.937 13.334 ( 1.147 -16.142 -2.885) 16.438 13.334 ( -1.147 -16.142 2.885) 16.438 13.621 ( -2.067 -14.445 -1.064) 14.631 13.621 ( 2.067 -14.445 1.064) 14.631 14.034 ( 1.504 -15.548 -3.115) 15.928 14.034 ( -1.504 -15.548 3.115) 15.928 14.266 ( -1.430 -3.403 -0.741) 3.765 14.266 ( 1.430 -3.403 0.741) 3.765 14.345 ( 2.491 -7.794 -1.132) 8.261 14.345 ( -2.491 -7.794 1.132) 8.261 17.278 ( 0.014 21.198 -6.641) 22.214 17.278 ( -0.014 21.198 6.641) 22.214 17.889 ( 0.683 1.166 -4.512) 4.710 17.889 ( -0.683 1.166 4.512) 4.710 19.698 ( -0.204 31.816 -1.081) 31.835 19.698 ( 0.204 31.816 1.081) 31.835 20.347 ( 0.467 8.536 -1.434) 8.668 20.347 ( -0.467 8.536 1.434) 8.668 21.046 ( 1.647 -7.825 -1.629) 8.161 21.046 ( -1.647 -7.825 1.629) 8.161 21.309 ( -0.951 -18.423 -1.232) 18.488 21.309 ( 0.951 -18.423 1.232) 18.488 22.451 ( 0.413 6.817 -1.992) 7.113 22.451 ( -0.413 6.817 1.992) 7.113 22.834 ( 0.084 -1.835 -2.403) 3.024 22.834 ( -0.084 -1.835 2.403) 3.024 27.527 ( 0.379 7.440 -1.015) 7.518 27.527 ( -0.379 7.440 1.015) 7.518 27.755 ( 0.512 4.653 -4.905) 6.781 27.755 ( -0.512 4.653 4.905) 6.781 28.436 ( -1.689 5.981 -1.080) 6.308 28.436 ( 1.689 5.981 1.080) 6.308 28.506 ( -1.112 5.236 -0.527) 5.378 28.506 ( 1.112 5.236 0.527) 5.378 29.111 ( 0.404 2.460 -1.607) 2.966 29.111 ( -0.404 2.460 1.607) 2.966 29.260 ( 0.039 -2.637 -0.923) 2.794 29.260 ( -0.039 -2.637 0.923) 2.794 29.402 ( -0.912 6.595 -2.874) 7.252 29.402 ( 0.912 6.595 2.874) 7.252 29.520 ( 0.674 4.434 -2.454) 5.112 29.520 ( -0.674 4.434 2.454) 5.112 30.003 ( -0.019 6.209 -2.010) 6.526 30.003 ( 0.019 6.209 2.010) 6.526 30.199 ( -0.821 4.054 -0.134) 4.139 30.199 ( 0.821 4.054 0.134) 4.139 30.417 ( -0.955 -7.444 -2.154) 7.808 30.417 ( 0.955 -7.444 2.154) 7.808 30.650 ( -1.525 -10.827 -1.549) 11.043 30.650 ( 1.525 -10.827 1.549) 11.043 30.727 ( -1.361 -4.374 -0.311) 4.592 30.727 ( 1.361 -4.374 0.311) 4.592 30.914 ( -2.104 -8.392 -1.184) 8.732 30.914 ( 2.104 -8.392 1.184) 8.732 31.829 ( -0.169 -2.218 -1.042) 2.456 31.829 ( 0.169 -2.218 1.042) 2.456 32.117 ( 0.997 -13.107 -5.484) 14.243 32.117 ( -0.997 -13.107 5.484) 14.243 ======================= Grid point 129 (58/60) ======================= q-point: ( 0.00 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 3.538 5.972 -3.178) 7.634 1.683 ( -3.538 5.972 3.178) 7.634 1.962 ( -2.062 0.445 -0.338) 2.137 1.962 ( 2.062 0.445 0.338) 2.137 2.091 ( 0.279 0.749 -2.304) 2.438 2.091 ( -0.279 0.749 2.304) 2.438 2.215 ( -4.386 2.108 -0.643) 4.908 2.215 ( 4.386 2.108 0.643) 4.908 2.276 ( -0.847 5.953 -1.348) 6.163 2.276 ( 0.847 5.953 1.348) 6.163 2.357 ( 2.061 1.789 -1.192) 2.978 2.357 ( -2.061 1.789 1.192) 2.978 2.466 ( -2.198 2.257 -1.251) 3.389 2.466 ( 2.198 2.257 1.251) 3.389 2.589 ( -2.015 -5.743 0.242) 6.091 2.589 ( 2.015 -5.743 -0.242) 6.091 2.756 ( -3.599 1.451 0.539) 3.918 2.756 ( 3.599 1.451 -0.539) 3.918 2.883 ( -2.902 -2.289 -1.601) 4.028 2.883 ( 2.902 -2.289 1.601) 4.028 2.986 ( -2.509 1.123 -2.723) 3.869 2.986 ( 2.509 1.123 2.723) 3.869 3.016 ( -2.696 0.076 -2.606) 3.750 3.016 ( 2.696 0.076 2.606) 3.750 3.201 ( -0.393 6.271 -3.993) 7.444 3.201 ( 0.393 6.271 3.993) 7.444 3.437 ( 1.914 4.599 -2.609) 5.623 3.437 ( -1.914 4.599 2.609) 5.623 3.584 ( -0.017 -5.379 -2.152) 5.793 3.584 ( 0.017 -5.379 2.152) 5.793 3.615 ( -4.308 -5.581 -2.071) 7.348 3.615 ( 4.308 -5.581 2.070) 7.348 4.051 ( -2.146 6.575 -5.366) 8.754 4.051 ( 2.146 6.575 5.366) 8.754 4.206 ( -3.064 -5.934 -7.471) 10.020 4.206 ( 3.064 -5.934 7.471) 10.021 4.320 ( -1.493 0.472 -1.285) 2.026 4.320 ( 1.493 0.472 1.285) 2.026 4.579 ( -2.914 2.220 -1.121) 3.831 4.579 ( 2.914 2.220 1.121) 3.831 5.047 ( -3.150 2.793 -4.221) 5.961 5.047 ( 3.150 2.793 4.221) 5.962 5.182 ( -2.677 0.538 0.170) 2.736 5.182 ( 2.677 0.538 -0.170) 2.736 5.275 ( -3.254 1.515 -0.413) 3.613 5.275 ( 3.254 1.515 0.413) 3.613 5.343 ( -3.149 -4.638 -5.357) 7.754 5.343 ( 3.149 -4.638 5.357) 7.754 5.772 ( 3.806 6.499 -4.265) 8.656 5.772 ( -3.806 6.499 4.265) 8.656 5.927 ( 3.466 -6.761 -5.466) 9.360 5.927 ( -3.466 -6.761 5.466) 9.360 6.596 ( -1.774 5.288 0.451) 5.596 6.596 ( 1.774 5.288 -0.451) 5.596 6.913 ( 0.765 -1.070 -1.619) 2.086 6.913 ( -0.765 -1.070 1.619) 2.086 7.653 ( 0.073 13.747 -4.526) 14.473 7.653 ( -0.073 13.747 4.526) 14.473 7.872 ( -0.341 -5.767 -3.689) 6.854 7.872 ( 0.341 -5.767 3.689) 6.854 8.197 ( 0.288 13.830 -2.411) 14.042 8.197 ( -0.288 13.830 2.411) 14.042 8.312 ( -0.477 7.640 -4.864) 9.070 8.312 ( 0.477 7.640 4.864) 9.070 8.357 ( -2.987 5.428 -2.537) 6.695 8.357 ( 2.987 5.428 2.537) 6.695 8.525 ( 7.099 -8.538 -7.698) 13.511 8.525 ( -7.099 -8.538 7.698) 13.511 8.764 ( 0.135 2.910 -7.127) 7.700 8.764 ( -0.135 2.910 7.127) 7.700 8.905 ( -5.766 -7.236 -2.778) 9.661 8.905 ( 5.766 -7.236 2.778) 9.660 10.005 ( -1.710 10.929 -0.024) 11.062 10.005 ( 1.710 10.929 0.024) 11.062 10.222 ( -0.231 -3.899 -3.800) 5.450 10.222 ( 0.231 -3.899 3.800) 5.450 10.491 ( 3.837 13.887 -2.662) 14.652 10.491 ( -3.837 13.887 2.662) 14.652 10.735 ( -2.656 -5.666 -0.527) 6.280 10.735 ( 2.656 -5.666 0.527) 6.280 11.181 ( -3.761 6.741 -4.204) 8.790 11.181 ( 3.761 6.741 4.204) 8.790 11.285 ( 2.786 -3.057 -4.684) 6.249 11.285 ( -2.786 -3.057 4.684) 6.249 11.798 ( 1.570 -4.171 -1.802) 4.808 11.798 ( -1.570 -4.171 1.802) 4.808 11.987 ( -0.101 -2.672 -1.669) 3.152 11.987 ( 0.101 -2.672 1.669) 3.152 12.164 ( -2.830 -5.287 -0.003) 5.997 12.164 ( 2.830 -5.287 0.003) 5.997 12.262 ( -1.584 -7.760 -0.251) 7.924 12.262 ( 1.584 -7.760 0.251) 7.924 12.829 ( 0.096 0.432 -0.172) 0.474 12.829 ( -0.096 0.432 0.172) 0.475 12.971 ( -0.520 -6.816 -0.180) 6.838 12.971 ( 0.520 -6.816 0.180) 6.838 13.067 ( 1.859 1.196 -4.250) 4.790 13.067 ( -1.859 1.196 4.250) 4.790 13.140 ( -0.132 -4.356 -3.632) 5.674 13.140 ( 0.132 -4.356 3.632) 5.674 13.488 ( -0.329 3.562 -2.812) 4.550 13.488 ( 0.329 3.562 2.812) 4.550 13.685 ( -2.106 -14.651 -1.832) 14.914 13.685 ( 2.106 -14.651 1.832) 14.914 14.240 ( 0.122 0.208 -0.715) 0.755 14.240 ( -0.122 0.208 0.715) 0.755 14.283 ( -0.297 -2.693 -0.281) 2.724 14.283 ( 0.297 -2.693 0.281) 2.724 17.624 ( 0.715 13.808 -5.901) 15.033 17.624 ( -0.715 13.808 5.901) 15.033 17.822 ( 0.211 -6.269 -4.420) 7.674 17.822 ( -0.211 -6.269 4.420) 7.674 20.406 ( -4.884 18.454 0.246) 19.092 20.406 ( 4.884 18.454 -0.246) 19.092 20.427 ( -4.950 20.112 -0.400) 20.716 20.427 ( 4.950 20.112 0.400) 20.716 20.751 ( -0.130 -9.493 -1.123) 9.560 20.751 ( 0.130 -9.493 1.123) 9.560 20.988 ( 0.071 -23.417 -1.367) 23.457 20.988 ( -0.071 -23.417 1.367) 23.457 22.637 ( -0.283 6.206 -0.881) 6.275 22.637 ( 0.283 6.206 0.881) 6.275 22.762 ( 0.067 -5.086 -1.611) 5.336 22.762 ( -0.067 -5.086 1.611) 5.336 27.634 ( -0.075 3.310 -0.739) 3.393 27.634 ( 0.075 3.310 0.739) 3.393 27.812 ( 0.032 0.937 -2.179) 2.372 27.812 ( -0.032 0.937 2.179) 2.372 28.506 ( -0.627 2.861 -0.503) 2.971 28.506 ( 0.627 2.861 0.503) 2.971 28.558 ( -0.594 -0.178 -0.500) 0.796 28.558 ( 0.594 -0.178 0.500) 0.796 29.139 ( -0.100 2.313 -0.977) 2.513 29.139 ( 0.100 2.313 0.977) 2.513 29.192 ( 0.316 -3.504 -0.457) 3.548 29.192 ( -0.316 -3.504 0.457) 3.548 29.558 ( 0.037 4.000 -0.555) 4.039 29.558 ( -0.037 4.000 0.555) 4.039 29.600 ( 0.867 3.703 -0.676) 3.863 29.600 ( -0.867 3.703 0.676) 3.863 30.082 ( 0.190 1.251 -1.751) 2.161 30.082 ( -0.190 1.251 1.751) 2.161 30.245 ( -0.529 -2.895 -0.917) 3.082 30.245 ( 0.529 -2.895 0.917) 3.082 30.336 ( -0.150 2.788 -0.794) 2.903 30.336 ( 0.150 2.788 0.794) 2.903 30.446 ( -0.852 -6.377 -2.198) 6.799 30.446 ( 0.852 -6.377 2.198) 6.799 30.705 ( -0.232 2.213 -1.187) 2.521 30.705 ( 0.232 2.213 1.187) 2.521 30.787 ( 0.462 -5.768 -1.508) 5.980 30.787 ( -0.462 -5.768 1.508) 5.980 31.821 ( 0.086 1.839 -0.864) 2.034 31.821 ( -0.086 1.839 0.864) 2.034 31.912 ( -0.018 -7.090 -2.550) 7.534 31.912 ( 0.018 -7.090 2.550) 7.534 ======================= Grid point 131 (59/60) ======================= q-point: ( 0.25 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 4.553 6.322 1.415) 7.919 1.779 ( 5.723 -1.562 -1.346) 6.083 1.991 ( 5.430 9.701 -1.722) 11.250 2.021 ( -3.903 6.498 3.753) 8.458 2.077 ( -0.304 3.202 -0.102) 3.218 2.146 ( 0.125 3.185 -3.211) 4.525 2.156 ( 4.007 0.666 -1.307) 4.267 2.185 ( -3.433 -3.046 -0.256) 4.597 2.277 ( -0.038 2.725 -1.221) 2.987 2.317 ( 0.644 1.311 -1.922) 2.414 2.328 ( -0.570 1.923 3.229) 3.802 2.351 ( 1.367 -1.763 2.936) 3.687 2.425 ( -1.291 4.995 -0.500) 5.184 2.522 ( 0.042 -4.652 -0.621) 4.694 2.575 ( 1.597 3.576 -0.752) 3.989 2.636 ( 1.510 4.746 0.767) 5.039 2.695 ( -5.539 -4.279 1.734) 7.211 2.746 ( 3.899 -7.457 2.030) 8.656 2.858 ( -2.209 3.489 -2.535) 4.846 2.903 ( -4.418 0.150 -1.203) 4.581 2.970 ( 1.491 2.049 -0.789) 2.654 3.000 ( -0.184 1.975 0.230) 1.997 3.094 ( 8.773 3.391 1.052) 9.464 3.108 ( 5.605 1.351 2.850) 6.431 3.205 ( 3.030 -1.229 -4.670) 5.701 3.225 ( 0.556 2.864 -0.306) 2.933 3.380 ( -2.900 3.615 2.563) 5.296 3.420 ( -6.041 -2.461 1.373) 6.666 3.592 ( 5.051 -0.362 -2.508) 5.651 3.642 ( 5.061 -0.892 3.389) 6.156 3.665 ( 5.716 -3.362 1.479) 6.794 3.723 ( 5.373 -4.792 -1.284) 7.313 3.998 ( -1.825 5.835 -7.759) 9.878 4.103 ( 0.853 7.312 3.218) 8.034 4.121 ( -4.043 -4.787 -5.975) 8.658 4.260 ( 1.293 -3.649 8.963) 9.763 4.296 ( -0.644 -1.072 0.814) 1.492 4.372 ( 3.042 -3.444 4.254) 6.262 4.474 ( -5.649 5.418 -3.093) 8.416 4.584 ( -3.546 -4.616 -4.833) 7.566 4.919 ( -6.138 3.180 -0.703) 6.949 4.974 ( -9.852 -1.789 1.406) 10.112 5.067 ( -7.551 4.530 -0.372) 8.813 5.161 ( -8.420 -3.424 1.128) 9.159 5.194 ( -0.334 0.180 3.395) 3.416 5.219 ( -1.894 -2.670 -0.923) 3.401 5.318 ( 0.219 1.007 -1.783) 2.060 5.344 ( -2.277 -1.341 -1.228) 2.914 5.793 ( 3.286 2.621 4.133) 5.895 5.858 ( 1.198 -3.033 3.253) 4.606 5.884 ( 3.337 4.845 -3.204) 6.699 5.996 ( -1.087 -4.977 -2.462) 5.659 6.621 ( 5.478 10.344 -1.801) 11.842 6.758 ( 14.309 -1.258 -3.871) 14.877 6.891 ( -0.196 10.901 3.857) 11.565 7.068 ( 7.633 -5.980 1.350) 9.790 7.630 ( -1.307 13.395 -1.200) 13.512 7.666 ( 0.406 13.598 0.306) 13.608 7.851 ( -0.742 -6.175 -1.898) 6.503 7.889 ( -0.515 -6.085 1.794) 6.365 8.130 ( -3.372 11.117 3.250) 12.063 8.200 ( -2.731 9.542 -0.239) 9.928 8.234 ( -5.126 3.056 1.085) 6.066 8.299 ( -1.347 6.491 -2.070) 6.945 8.312 ( -4.367 2.299 -0.259) 4.942 8.343 ( -0.152 12.192 -3.336) 12.641 8.425 ( -3.411 0.937 4.254) 5.532 8.552 ( -3.621 0.068 -3.857) 5.290 8.712 ( 1.796 -6.319 -6.032) 8.918 8.746 ( -3.427 -7.862 8.133) 11.820 8.924 ( 7.916 1.650 -2.004) 8.331 9.067 ( 4.259 -9.148 2.249) 10.338 9.971 ( -0.544 11.936 -0.280) 11.952 10.025 ( -1.072 9.466 -0.424) 9.536 10.191 ( -1.410 0.423 2.269) 2.704 10.200 ( -1.441 -3.209 -3.279) 4.809 10.524 ( 5.450 10.206 3.842) 12.191 10.610 ( 5.245 13.680 -3.343) 15.028 10.692 ( 0.159 -4.294 1.130) 4.443 10.774 ( 0.226 -0.521 0.100) 0.577 11.097 ( -2.198 11.550 -1.243) 11.823 11.182 ( -4.531 5.824 1.651) 7.562 11.333 ( 5.674 -4.173 0.883) 7.098 11.354 ( 3.833 -10.912 -2.285) 11.789 11.737 ( -2.723 -5.233 1.202) 6.020 11.767 ( -2.198 -6.459 -1.255) 6.938 11.916 ( -6.921 -3.595 -2.129) 8.084 11.927 ( -7.334 -6.608 1.535) 9.990 12.142 ( 2.613 0.517 0.725) 2.761 12.189 ( 1.100 -5.042 0.667) 5.204 12.304 ( 3.159 -4.466 -0.426) 5.487 12.324 ( 2.536 -7.734 0.405) 8.149 12.818 ( 0.964 1.800 -0.946) 2.250 12.852 ( 1.143 -0.745 -0.159) 1.374 12.945 ( -2.711 -5.943 1.610) 6.728 12.964 ( -2.657 -6.659 -0.014) 7.169 13.024 ( 0.460 1.008 0.529) 1.228 13.094 ( -0.693 -2.969 -2.897) 4.206 13.117 ( -0.246 -4.417 2.290) 4.981 13.159 ( 0.443 -4.199 -0.571) 4.261 13.490 ( 2.002 3.850 -1.284) 4.525 13.536 ( 1.823 4.582 1.308) 5.102 13.687 ( 2.946 -13.837 -3.006) 14.463 13.742 ( 2.106 -14.093 3.087) 14.580 14.228 ( -0.651 0.023 0.389) 0.759 14.238 ( -0.317 -0.747 -0.533) 0.971 14.259 ( -1.604 -1.606 -0.423) 2.309 14.274 ( -1.246 -3.378 0.293) 3.612 17.613 ( -0.201 14.068 2.215) 14.243 17.634 ( 0.035 14.038 -2.292) 14.224 17.815 ( 0.374 -6.603 -0.427) 6.627 17.837 ( 0.275 -6.721 0.473) 6.743 20.317 ( -3.325 25.619 0.427) 25.838 20.330 ( -3.778 24.871 -0.377) 25.159 20.497 ( 3.298 12.423 -0.392) 12.859 20.512 ( 2.685 10.189 0.380) 10.544 20.790 ( 3.972 -8.541 -0.918) 9.464 20.794 ( 3.991 -10.554 0.779) 11.310 20.956 ( -2.435 -20.510 -0.067) 20.654 20.978 ( -1.949 -22.068 0.243) 22.155 22.611 ( -1.546 7.340 -0.946) 7.561 22.621 ( -1.679 6.564 1.085) 6.862 22.756 ( -0.364 -5.719 -1.814) 6.011 22.757 ( -0.562 -5.519 1.647) 5.787 27.634 ( 0.214 3.650 -0.379) 3.676 27.639 ( 0.177 3.167 0.500) 3.211 27.805 ( -0.279 1.075 -1.088) 1.555 27.811 ( -0.392 0.597 1.005) 1.233 28.501 ( 0.245 3.211 -0.021) 3.220 28.527 ( 1.053 2.216 0.440) 2.493 28.540 ( -0.980 0.268 -0.626) 1.194 28.563 ( -0.190 -0.364 0.195) 0.455 29.135 ( 0.234 2.152 0.052) 2.165 29.151 ( 0.281 1.786 -0.168) 1.816 29.185 ( -0.015 -3.184 0.460) 3.217 29.199 ( 0.071 -3.274 -0.380) 3.297 29.542 ( -0.557 5.126 0.007) 5.156 29.558 ( -0.909 3.763 0.361) 3.888 29.595 ( 0.543 4.280 -0.161) 4.317 29.611 ( 0.223 2.876 -0.292) 2.900 30.079 ( -0.254 1.216 1.520) 1.963 30.080 ( -0.094 1.170 -1.547) 1.942 30.226 ( -0.587 -1.082 -0.067) 1.233 30.250 ( -0.770 -3.061 0.352) 3.176 30.338 ( 0.539 2.197 -0.492) 2.315 30.344 ( 0.428 2.666 0.692) 2.788 30.439 ( 0.671 -5.860 -1.396) 6.061 30.466 ( 0.368 -8.282 0.904) 8.340 30.702 ( 0.138 2.296 -1.052) 2.530 30.712 ( 0.068 1.579 1.124) 1.939 30.779 ( -0.331 -4.875 1.544) 5.125 30.789 ( -0.097 -6.232 -1.437) 6.396 31.823 ( 0.176 2.005 0.680) 2.124 31.824 ( 0.270 1.896 -0.831) 2.087 31.914 ( 0.491 -6.957 -2.211) 7.317 31.918 ( 0.206 -7.343 2.312) 7.701 ======================= Grid point 132 (60/60) ======================= q-point: ( 0.50 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -6.906 7.343 0.158) 10.081 1.835 ( 6.906 7.343 -0.158) 10.081 1.951 ( 9.531 -2.548 -3.298) 10.402 1.951 ( -9.531 -2.548 3.298) 10.402 2.125 ( -2.711 5.942 -2.530) 7.004 2.125 ( 2.711 5.942 2.530) 7.004 2.182 ( -0.132 1.658 -2.904) 3.346 2.182 ( 0.132 1.658 2.904) 3.346 2.307 ( 2.155 5.429 -1.505) 6.032 2.307 ( -2.155 5.429 1.505) 6.032 2.345 ( 1.895 2.957 -2.428) 4.270 2.345 ( -1.895 2.957 2.428) 4.270 2.474 ( -3.879 -1.879 -0.931) 4.410 2.474 ( 3.879 -1.879 0.931) 4.410 2.595 ( 0.085 -3.315 -2.492) 4.148 2.595 ( -0.085 -3.315 2.492) 4.148 2.738 ( -3.966 -2.247 -2.258) 5.087 2.738 ( 3.966 -2.247 2.258) 5.087 2.844 ( 0.802 4.055 -1.421) 4.371 2.844 ( -0.802 4.055 1.421) 4.371 2.988 ( -0.202 3.748 -2.783) 4.673 2.988 ( 0.202 3.748 2.783) 4.673 3.186 ( -3.540 -4.835 -2.460) 6.477 3.186 ( 3.540 -4.835 2.460) 6.477 3.269 ( -6.497 2.870 -2.110) 7.410 3.269 ( 6.497 2.870 2.110) 7.410 3.314 ( -3.877 0.213 -0.067) 3.884 3.314 ( 3.877 0.213 0.067) 3.884 3.703 ( 1.520 3.165 -7.051) 7.877 3.703 ( -1.520 3.165 7.051) 7.877 3.765 ( -3.533 -2.254 -3.981) 5.781 3.765 ( 3.533 -2.254 3.981) 5.781 3.996 ( 3.756 5.654 -4.394) 8.086 3.996 ( -3.756 5.654 4.394) 8.086 4.190 ( 2.806 -7.677 -1.521) 8.314 4.190 ( -2.806 -7.677 1.521) 8.314 4.352 ( -5.389 3.749 -4.535) 7.978 4.352 ( 5.389 3.749 4.535) 7.978 4.474 ( -5.570 -6.532 -6.842) 10.977 4.474 ( 5.570 -6.532 6.842) 10.977 4.850 ( 0.108 1.544 -0.891) 1.786 4.850 ( -0.108 1.544 0.891) 1.786 5.010 ( -2.725 -1.660 -0.082) 3.192 5.010 ( 2.725 -1.660 0.082) 3.192 5.208 ( -0.596 -0.462 -3.077) 3.168 5.208 ( 0.596 -0.462 3.077) 3.168 5.313 ( 0.313 0.210 -1.243) 1.299 5.313 ( -0.313 0.210 1.243) 1.299 5.862 ( -1.848 3.082 -3.764) 5.204 5.862 ( 1.848 3.082 3.764) 5.204 5.931 ( -3.042 -3.716 -3.040) 5.683 5.931 ( 3.042 -3.716 3.040) 5.683 6.789 ( 7.220 13.590 -4.795) 16.119 6.789 ( -7.220 13.590 4.795) 16.119 7.062 ( 2.047 -2.775 -4.972) 6.050 7.062 ( -2.047 -2.775 4.972) 6.050 7.642 ( -0.039 13.313 -3.020) 13.651 7.642 ( 0.039 13.313 3.020) 13.651 7.852 ( 1.536 -6.042 -3.629) 7.213 7.852 ( -1.536 -6.042 3.629) 7.213 8.128 ( -2.372 6.178 -5.065) 8.333 8.128 ( 2.372 6.178 5.065) 8.333 8.202 ( 1.707 -2.516 -5.494) 6.279 8.202 ( -1.707 -2.516 5.494) 6.279 8.312 ( -1.812 15.532 -0.467) 15.644 8.312 ( 1.812 15.532 0.467) 15.644 8.458 ( -3.101 1.725 -5.416) 6.476 8.458 ( 3.101 1.725 5.416) 6.476 8.732 ( 0.916 -4.572 -9.551) 10.628 8.732 ( -0.916 -4.572 9.551) 10.628 9.060 ( 4.860 -7.460 -3.419) 9.537 9.060 ( -4.860 -7.460 3.419) 9.538 9.985 ( -0.599 11.508 -1.031) 11.569 9.985 ( 0.599 11.508 1.031) 11.569 10.182 ( -0.338 -1.944 -4.678) 5.077 10.182 ( 0.338 -1.944 4.678) 5.077 10.627 ( -2.467 9.887 -3.431) 10.752 10.627 ( 2.467 9.887 3.431) 10.752 10.743 ( -1.501 3.684 -1.495) 4.250 10.743 ( 1.501 3.684 1.495) 4.250 11.102 ( -1.948 9.971 -0.691) 10.183 11.102 ( 1.948 9.971 0.691) 10.183 11.398 ( 1.276 -13.560 -2.902) 13.926 11.398 ( -1.276 -13.560 2.902) 13.926 11.759 ( -4.135 -5.145 -1.918) 6.874 11.759 ( 4.135 -5.145 1.918) 6.874 11.794 ( 3.197 -5.948 -2.006) 7.045 11.794 ( -3.197 -5.948 2.006) 7.045 12.193 ( -1.336 -0.398 -0.442) 1.463 12.193 ( 1.336 -0.398 0.442) 1.463 12.344 ( 0.613 -5.522 -0.836) 5.619 12.344 ( -0.613 -5.522 0.837) 5.619 12.869 ( 3.212 -0.071 -2.598) 4.132 12.869 ( -3.212 -0.071 2.598) 4.132 12.897 ( -1.546 -3.288 -0.786) 3.718 12.897 ( 1.546 -3.288 0.786) 3.718 13.058 ( -1.009 -4.247 -0.989) 4.476 13.058 ( 1.009 -4.247 0.989) 4.476 13.141 ( -1.127 -5.284 -1.913) 5.731 13.141 ( 1.127 -5.284 1.913) 5.731 13.538 ( 1.083 5.074 -3.752) 6.403 13.538 ( -1.083 5.074 3.752) 6.403 13.748 ( 2.172 -13.262 -4.143) 14.062 13.748 ( -2.172 -13.262 4.143) 14.062 14.226 ( -0.526 -0.892 -0.826) 1.324 14.226 ( 0.526 -0.892 0.826) 1.324 14.248 ( 0.811 -2.411 -0.938) 2.711 14.248 ( -0.811 -2.411 0.938) 2.711 17.622 ( 0.023 14.190 -5.308) 15.150 17.622 ( -0.023 14.190 5.308) 15.150 17.831 ( 0.392 -6.947 -4.626) 8.356 17.831 ( -0.392 -6.947 4.626) 8.356 20.287 ( -0.333 27.564 -0.463) 27.570 20.287 ( 0.333 27.564 0.463) 27.570 20.532 ( 0.204 7.324 -1.175) 7.421 20.532 ( -0.204 7.324 1.175) 7.421 20.868 ( -0.571 -9.631 -1.112) 9.712 20.868 ( 0.571 -9.631 1.112) 9.712 20.916 ( 0.379 -19.472 -1.345) 19.522 20.916 ( -0.379 -19.472 1.345) 19.522 22.596 ( 0.368 7.655 -1.929) 7.902 22.596 ( -0.368 7.655 1.929) 7.902 22.750 ( 0.177 -6.117 -1.972) 6.430 22.750 ( -0.177 -6.117 1.972) 6.430 27.639 ( 0.166 3.532 -0.868) 3.641 27.639 ( -0.166 3.532 0.868) 3.641 27.803 ( 0.244 0.708 -2.397) 2.511 27.803 ( -0.244 0.708 2.397) 2.511 28.515 ( -0.990 2.582 -0.452) 2.802 28.515 ( 0.990 2.582 0.452) 2.802 28.551 ( -0.732 0.068 -0.343) 0.811 28.551 ( 0.732 0.068 0.343) 0.811 29.145 ( -0.321 1.440 -0.653) 1.613 29.145 ( 0.321 1.440 0.653) 1.613 29.193 ( -0.427 -2.772 -0.514) 2.851 29.193 ( 0.427 -2.772 0.514) 2.851 29.541 ( 0.139 5.126 -1.321) 5.295 29.541 ( -0.139 5.126 1.321) 5.295 29.608 ( 0.095 3.216 -0.513) 3.258 29.608 ( -0.095 3.216 0.513) 3.258 30.077 ( 0.038 1.124 -1.396) 1.793 30.077 ( -0.038 1.124 1.396) 1.793 30.229 ( 0.003 -1.047 -2.002) 2.259 30.229 ( -0.003 -1.047 2.002) 2.259 30.348 ( 0.246 1.882 -0.604) 1.992 30.348 ( -0.246 1.882 0.604) 1.992 30.459 ( 0.294 -7.708 -1.343) 7.829 30.459 ( -0.294 -7.708 1.343) 7.829 30.708 ( 0.432 1.727 -1.244) 2.172 30.708 ( -0.432 1.727 1.244) 2.172 30.782 ( -0.344 -5.455 -1.598) 5.695 30.782 ( 0.344 -5.455 1.598) 5.695 31.827 ( 0.027 2.063 -0.881) 2.244 31.827 ( -0.027 2.063 0.881) 2.244 31.921 ( 0.303 -7.215 -2.176) 7.542 31.921 ( -0.303 -7.215 2.176) 7.542 =================== 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 3/27456 10.0 237.879 213.444 277.662 0.000 16.370 0.000 3/27456 20.0 34.939 35.086 43.819 0.000 2.171 0.000 3/27456 30.0 13.352 14.902 16.683 0.000 0.735 0.000 3/27456 40.0 7.588 8.947 9.398 0.000 0.403 0.000 3/27456 50.0 5.190 6.333 6.372 0.000 0.271 0.000 3/27456 60.0 3.931 4.918 4.786 0.000 0.203 0.000 3/27456 70.0 3.169 4.050 3.828 0.000 0.161 0.000 3/27456 80.0 2.661 3.473 3.193 0.000 0.132 0.000 3/27456 90.0 2.299 3.068 2.743 0.000 0.112 0.000 3/27456 100.0 2.028 2.774 2.408 0.000 0.096 0.000 3/27456 110.0 1.818 2.555 2.149 0.000 0.084 0.000 3/27456 120.0 1.650 2.386 1.943 0.000 0.074 0.000 3/27456 130.0 1.513 2.255 1.775 0.000 0.066 0.000 3/27456 140.0 1.398 2.149 1.636 0.000 0.059 0.000 3/27456 150.0 1.300 2.062 1.518 0.000 0.053 0.000 3/27456 160.0 1.216 1.990 1.417 0.000 0.048 0.000 3/27456 170.0 1.144 1.927 1.329 0.000 0.044 0.000 3/27456 180.0 1.080 1.873 1.253 0.000 0.041 0.000 3/27456 190.0 1.023 1.824 1.185 0.000 0.038 0.000 3/27456 200.0 0.972 1.780 1.125 0.000 0.035 0.000 3/27456 210.0 0.927 1.740 1.071 0.000 0.033 0.000 3/27456 220.0 0.886 1.703 1.022 0.000 0.031 0.000 3/27456 230.0 0.849 1.667 0.978 0.000 0.029 0.000 3/27456 240.0 0.815 1.634 0.939 0.000 0.028 0.000 3/27456 250.0 0.783 1.602 0.902 0.000 0.026 0.000 3/27456 260.0 0.755 1.572 0.869 0.000 0.025 0.000 3/27456 270.0 0.728 1.543 0.838 0.000 0.024 0.000 3/27456 280.0 0.703 1.515 0.809 0.000 0.023 0.000 3/27456 290.0 0.681 1.488 0.783 0.000 0.022 0.000 3/27456 300.0 0.659 1.462 0.758 0.000 0.021 0.000 3/27456 310.0 0.639 1.437 0.736 0.000 0.021 0.000 3/27456 320.0 0.621 1.412 0.714 0.000 0.020 0.000 3/27456 330.0 0.603 1.389 0.694 0.000 0.019 0.000 3/27456 340.0 0.587 1.365 0.675 0.000 0.019 0.000 3/27456 350.0 0.571 1.343 0.658 0.000 0.018 0.000 3/27456 360.0 0.556 1.321 0.641 0.000 0.018 0.000 3/27456 370.0 0.542 1.300 0.625 0.000 0.018 0.000 3/27456 380.0 0.529 1.279 0.610 0.000 0.017 0.000 3/27456 390.0 0.516 1.259 0.596 0.000 0.017 0.000 3/27456 400.0 0.504 1.239 0.582 0.000 0.016 0.000 3/27456 410.0 0.493 1.220 0.569 0.000 0.016 0.000 3/27456 420.0 0.482 1.201 0.557 0.000 0.016 0.000 3/27456 430.0 0.472 1.183 0.545 0.000 0.015 0.000 3/27456 440.0 0.462 1.165 0.534 0.000 0.015 0.000 3/27456 450.0 0.452 1.148 0.523 0.000 0.015 0.000 3/27456 460.0 0.443 1.131 0.513 0.000 0.015 0.000 3/27456 470.0 0.434 1.114 0.503 0.000 0.014 0.000 3/27456 480.0 0.426 1.098 0.493 0.000 0.014 0.000 3/27456 490.0 0.418 1.082 0.484 0.000 0.014 0.000 3/27456 500.0 0.410 1.067 0.476 0.000 0.014 0.000 3/27456 510.0 0.403 1.052 0.467 0.000 0.014 0.000 3/27456 520.0 0.395 1.037 0.459 0.000 0.013 0.000 3/27456 530.0 0.388 1.023 0.451 0.000 0.013 0.000 3/27456 540.0 0.382 1.009 0.443 0.000 0.013 0.000 3/27456 550.0 0.375 0.995 0.436 0.000 0.013 0.000 3/27456 560.0 0.369 0.982 0.429 0.000 0.013 0.000 3/27456 570.0 0.363 0.969 0.422 0.000 0.012 0.000 3/27456 580.0 0.357 0.956 0.415 0.000 0.012 0.000 3/27456 590.0 0.351 0.944 0.409 0.000 0.012 0.000 3/27456 600.0 0.346 0.932 0.403 0.000 0.012 0.000 3/27456 610.0 0.341 0.920 0.397 0.000 0.012 0.000 3/27456 620.0 0.335 0.908 0.391 0.000 0.012 0.000 3/27456 630.0 0.330 0.897 0.385 0.000 0.012 0.000 3/27456 640.0 0.326 0.886 0.380 0.000 0.011 0.000 3/27456 650.0 0.321 0.875 0.374 0.000 0.011 0.000 3/27456 660.0 0.316 0.864 0.369 0.000 0.011 0.000 3/27456 670.0 0.312 0.854 0.364 0.000 0.011 0.000 3/27456 680.0 0.307 0.843 0.359 0.000 0.011 0.000 3/27456 690.0 0.303 0.833 0.354 0.000 0.011 0.000 3/27456 700.0 0.299 0.824 0.349 0.000 0.011 0.000 3/27456 710.0 0.295 0.814 0.345 0.000 0.011 0.000 3/27456 720.0 0.291 0.805 0.340 0.000 0.010 0.000 3/27456 730.0 0.287 0.796 0.336 0.000 0.010 0.000 3/27456 740.0 0.284 0.787 0.332 0.000 0.010 0.000 3/27456 750.0 0.280 0.778 0.328 0.000 0.010 0.000 3/27456 760.0 0.277 0.769 0.324 0.000 0.010 0.000 3/27456 770.0 0.273 0.761 0.320 0.000 0.010 0.000 3/27456 780.0 0.270 0.753 0.316 0.000 0.010 0.000 3/27456 790.0 0.267 0.744 0.312 0.000 0.010 0.000 3/27456 800.0 0.263 0.737 0.309 0.000 0.010 0.000 3/27456 810.0 0.260 0.729 0.305 0.000 0.009 0.000 3/27456 820.0 0.257 0.721 0.302 0.000 0.009 0.000 3/27456 830.0 0.254 0.714 0.298 0.000 0.009 0.000 3/27456 840.0 0.251 0.706 0.295 0.000 0.009 0.000 3/27456 850.0 0.249 0.699 0.292 0.000 0.009 0.000 3/27456 860.0 0.246 0.692 0.288 0.000 0.009 0.000 3/27456 870.0 0.243 0.685 0.285 0.000 0.009 0.000 3/27456 880.0 0.240 0.678 0.282 0.000 0.009 0.000 3/27456 890.0 0.238 0.672 0.279 0.000 0.009 0.000 3/27456 900.0 0.235 0.665 0.276 0.000 0.009 0.000 3/27456 910.0 0.233 0.659 0.273 0.000 0.009 0.000 3/27456 920.0 0.230 0.652 0.271 0.000 0.009 0.000 3/27456 930.0 0.228 0.646 0.268 0.000 0.008 0.000 3/27456 940.0 0.226 0.640 0.265 0.000 0.008 0.000 3/27456 950.0 0.223 0.634 0.262 0.000 0.008 0.000 3/27456 960.0 0.221 0.628 0.260 0.000 0.008 0.000 3/27456 970.0 0.219 0.622 0.257 0.000 0.008 0.000 3/27456 980.0 0.217 0.617 0.255 0.000 0.008 0.000 3/27456 990.0 0.215 0.611 0.252 0.000 0.008 0.000 3/27456 1000.0 0.213 0.606 0.250 0.000 0.008 0.000 3/27456 Thermal conductivity related properties were written into "kappa-m4114.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:31:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|