----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:31:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.187164910041954 0.000000000000000 0.000000000000000 b 0.000000000000000 10.979181759999999 0.000000000000000 c -3.846736351319023 0.000000000000000 10.448303264812177 Atomic positions (fractional): *1 Li 0.37304200313233 0.78351431949211 0.13766956597883 6.941 2 Li 0.62695799686767 0.28351431949211 0.36233043402117 6.941 3 Li 0.62695799686767 0.21648568050789 0.86233043402117 6.941 4 Li 0.37304200313233 0.71648568050789 0.63766956597883 6.941 *5 Li 0.98287179054281 0.79009919057375 0.15298028420853 6.941 6 Li 0.01712820945719 0.29009919057375 0.34701971579147 6.941 7 Li 0.01712820945719 0.20990080942625 0.84701971579147 6.941 8 Li 0.98287179054281 0.70990080942625 0.65298028420853 6.941 *9 O 0.86469195083368 0.92374326465639 0.42004957818861 15.999 10 O 0.13530804916632 0.42374326465639 0.07995042181139 15.999 11 O 0.13530804916632 0.07625673534361 0.57995042181139 15.999 12 O 0.86469195083368 0.57625673534361 0.92004957818861 15.999 *13 O 0.85843434909979 0.20467560158832 0.40712054189036 15.999 14 O 0.14156565090021 0.70467560158832 0.09287945810964 15.999 *15 O 0.02061261438818 0.73987023060098 0.33036124172077 15.999 16 O 0.14156565090021 0.79532439841168 0.59287945810964 15.999 *17 O 0.05468734284345 0.54023454958146 0.68829076713635 15.999 18 O 0.94531265715655 0.04023454958146 0.81170923286365 15.999 19 O 0.94531265715655 0.45976545041854 0.31170923286365 15.999 20 O 0.05468734284345 0.95976545041854 0.18829076713635 15.999 *21 O 0.35631322646086 0.54110877408164 0.62372158076534 15.999 22 O 0.64368677353914 0.04110877408164 0.87627841923466 15.999 23 O 0.64368677353914 0.45889122591836 0.37627841923466 15.999 24 O 0.35631322646086 0.95889122591836 0.12372158076534 15.999 *25 O 0.36092902264741 0.45460199054358 0.85831856754570 15.999 26 O 0.63907097735259 0.95460199054358 0.64168143245430 15.999 27 O 0.63907097735259 0.54539800945642 0.14168143245430 15.999 28 O 0.36092902264741 0.04539800945642 0.35831856754570 15.999 *29 O 0.74000208976667 0.71024433906660 0.55054942597374 15.999 30 O 0.25999791023333 0.21024433906660 0.94945057402626 15.999 31 O 0.25999791023333 0.28975566093340 0.44945057402626 15.999 32 O 0.74000208976667 0.78975566093340 0.05054942597374 15.999 *33 O 0.54128119860943 0.76571206301703 0.79907787551069 15.999 34 O 0.45871880139057 0.26571206301703 0.70092212448931 15.999 35 O 0.45871880139057 0.23428793698297 0.20092212448931 15.999 36 O 0.54128119860943 0.73428793698297 0.29907787551069 15.999 *37 O 0.39330136489775 0.72515349828457 0.98002539104186 15.999 38 O 0.60669863510225 0.22515349828457 0.51997460895814 15.999 39 O 0.60669863510225 0.27484650171543 0.01997460895814 15.999 40 O 0.39330136489775 0.77484650171543 0.48002539104186 15.999 41 O 0.02061261438818 0.76012976939902 0.83036124172077 15.999 42 O 0.97938738561182 0.26012976939902 0.66963875827923 15.999 43 O 0.97938738561182 0.23987023060098 0.16963875827923 15.999 44 O 0.85843434909979 0.29532439841168 0.90712054189036 15.999 *45 Rb 0.28780092347081 0.54322007428349 0.33913589311047 85.468 46 Rb 0.71219907652919 0.04322007428349 0.16086410688953 85.468 47 Rb 0.71219907652919 0.45677992571651 0.66086410688953 85.468 48 Rb 0.28780092347081 0.95677992571651 0.83913589311047 85.468 *49 I 0.08691483773468 0.87106143195733 0.43761673293979 126.904 50 I 0.91308516226532 0.37106143195733 0.06238326706021 126.904 51 I 0.91308516226532 0.12893856804267 0.56238326706021 126.904 52 I 0.08691483773468 0.62893856804267 0.93761673293979 126.904 *53 I 0.59084678046557 0.82157570906319 0.44988165588513 126.904 54 I 0.40915321953444 0.32157570906319 0.05011834411487 126.904 55 I 0.40915321953444 0.17842429093681 0.55011834411487 126.904 56 I 0.59084678046557 0.67842429093681 0.94988165588513 126.904 *57 I 0.76745116107714 0.56176721899324 0.31240875547775 126.904 58 I 0.23254883892286 0.06176721899324 0.18759124452224 126.904 59 I 0.23254883892286 0.43823278100676 0.68759124452224 126.904 60 I 0.76745116107714 0.93823278100676 0.81240875547776 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.187164910041954 0.000000000000000 0.000000000000000 b 0.000000000000000 10.979181759999999 0.000000000000000 c -3.846736351319023 0.000000000000000 10.448303264812177 Atomic positions (fractional): *1 Li 0.37304200313233 0.78351431949211 0.13766956597883 6.941 > 1 2 Li 0.62695799686767 0.28351431949211 0.36233043402117 6.941 > 2 3 Li 0.62695799686767 0.21648568050789 0.86233043402117 6.941 > 3 4 Li 0.37304200313233 0.71648568050789 0.63766956597883 6.941 > 4 *5 Li 0.98287179054281 0.79009919057375 0.15298028420853 6.941 > 5 6 Li 0.01712820945719 0.29009919057375 0.34701971579147 6.941 > 6 7 Li 0.01712820945719 0.20990080942625 0.84701971579147 6.941 > 7 8 Li 0.98287179054281 0.70990080942625 0.65298028420853 6.941 > 8 *9 O 0.86469195083368 0.92374326465639 0.42004957818861 15.999 > 9 10 O 0.13530804916632 0.42374326465639 0.07995042181139 15.999 > 10 11 O 0.13530804916632 0.07625673534361 0.57995042181139 15.999 > 11 12 O 0.86469195083368 0.57625673534361 0.92004957818861 15.999 > 12 *13 O 0.85843434909979 0.20467560158832 0.40712054189036 15.999 > 13 14 O 0.14156565090021 0.70467560158832 0.09287945810964 15.999 > 14 *15 O 0.02061261438818 0.73987023060098 0.33036124172077 15.999 > 15 16 O 0.14156565090021 0.79532439841168 0.59287945810964 15.999 > 16 *17 O 0.05468734284345 0.54023454958146 0.68829076713635 15.999 > 17 18 O 0.94531265715655 0.04023454958146 0.81170923286365 15.999 > 18 19 O 0.94531265715655 0.45976545041854 0.31170923286365 15.999 > 19 20 O 0.05468734284345 0.95976545041854 0.18829076713635 15.999 > 20 *21 O 0.35631322646086 0.54110877408164 0.62372158076534 15.999 > 21 22 O 0.64368677353914 0.04110877408164 0.87627841923466 15.999 > 22 23 O 0.64368677353914 0.45889122591836 0.37627841923466 15.999 > 23 24 O 0.35631322646086 0.95889122591836 0.12372158076534 15.999 > 24 *25 O 0.36092902264741 0.45460199054358 0.85831856754570 15.999 > 25 26 O 0.63907097735259 0.95460199054358 0.64168143245430 15.999 > 26 27 O 0.63907097735259 0.54539800945642 0.14168143245430 15.999 > 27 28 O 0.36092902264741 0.04539800945642 0.35831856754570 15.999 > 28 *29 O 0.74000208976667 0.71024433906660 0.55054942597374 15.999 > 29 30 O 0.25999791023333 0.21024433906660 0.94945057402626 15.999 > 30 31 O 0.25999791023333 0.28975566093340 0.44945057402626 15.999 > 31 32 O 0.74000208976667 0.78975566093340 0.05054942597374 15.999 > 32 *33 O 0.54128119860943 0.76571206301703 0.79907787551069 15.999 > 33 34 O 0.45871880139057 0.26571206301703 0.70092212448931 15.999 > 34 35 O 0.45871880139057 0.23428793698297 0.20092212448931 15.999 > 35 36 O 0.54128119860943 0.73428793698297 0.29907787551069 15.999 > 36 *37 O 0.39330136489775 0.72515349828457 0.98002539104186 15.999 > 37 38 O 0.60669863510225 0.22515349828457 0.51997460895814 15.999 > 38 39 O 0.60669863510225 0.27484650171543 0.01997460895814 15.999 > 39 40 O 0.39330136489775 0.77484650171543 0.48002539104186 15.999 > 40 41 O 0.02061261438818 0.76012976939902 0.83036124172077 15.999 > 41 42 O 0.97938738561182 0.26012976939902 0.66963875827923 15.999 > 42 43 O 0.97938738561182 0.23987023060098 0.16963875827923 15.999 > 43 44 O 0.85843434909979 0.29532439841168 0.90712054189036 15.999 > 44 *45 Rb 0.28780092347081 0.54322007428349 0.33913589311047 85.468 > 45 46 Rb 0.71219907652919 0.04322007428349 0.16086410688953 85.468 > 46 47 Rb 0.71219907652919 0.45677992571651 0.66086410688953 85.468 > 47 48 Rb 0.28780092347081 0.95677992571651 0.83913589311047 85.468 > 48 *49 I 0.08691483773468 0.87106143195733 0.43761673293979 126.904 > 49 50 I 0.91308516226532 0.37106143195733 0.06238326706021 126.904 > 50 51 I 0.91308516226532 0.12893856804267 0.56238326706021 126.904 > 51 52 I 0.08691483773468 0.62893856804267 0.93761673293979 126.904 > 52 *53 I 0.59084678046557 0.82157570906319 0.44988165588513 126.904 > 53 54 I 0.40915321953444 0.32157570906319 0.05011834411487 126.904 > 54 55 I 0.40915321953444 0.17842429093681 0.55011834411487 126.904 > 55 56 I 0.59084678046557 0.67842429093681 0.94988165588513 126.904 > 56 *57 I 0.76745116107714 0.56176721899324 0.31240875547775 126.904 > 57 58 I 0.23254883892286 0.06176721899324 0.18759124452224 126.904 > 58 59 I 0.23254883892286 0.43823278100676 0.68759124452224 126.904 > 59 60 I 0.76745116107714 0.93823278100676 0.81240875547776 126.904 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.374329820083908 0.000000000000000 0.000000000000000 b 0.000000000000000 10.979181759999999 0.000000000000000 c -3.846736351319023 0.000000000000000 10.448303264812177 Atomic positions (fractional): *1 Li 0.18652100156616 0.78351431949211 0.13766956597883 6.941 > 1 2 Li 0.68652100156616 0.78351431949211 0.13766956597883 6.941 > 1 3 Li 0.31347899843384 0.28351431949211 0.36233043402117 6.941 > 2 4 Li 0.81347899843384 0.28351431949211 0.36233043402117 6.941 > 2 5 Li 0.31347899843384 0.21648568050789 0.86233043402117 6.941 > 3 6 Li 0.81347899843384 0.21648568050789 0.86233043402117 6.941 > 3 7 Li 0.18652100156616 0.71648568050789 0.63766956597883 6.941 > 4 8 Li 0.68652100156616 0.71648568050789 0.63766956597883 6.941 > 4 *9 Li 0.49143589527140 0.79009919057375 0.15298028420853 6.941 > 5 10 Li 0.99143589527140 0.79009919057375 0.15298028420853 6.941 > 5 11 Li 0.00856410472860 0.29009919057375 0.34701971579147 6.941 > 6 12 Li 0.50856410472860 0.29009919057375 0.34701971579147 6.941 > 6 13 Li 0.00856410472860 0.20990080942625 0.84701971579147 6.941 > 7 14 Li 0.50856410472860 0.20990080942625 0.84701971579147 6.941 > 7 15 Li 0.49143589527140 0.70990080942625 0.65298028420853 6.941 > 8 16 Li 0.99143589527140 0.70990080942625 0.65298028420853 6.941 > 8 *17 O 0.43234597541684 0.92374326465639 0.42004957818861 15.999 > 9 18 O 0.93234597541684 0.92374326465639 0.42004957818861 15.999 > 9 19 O 0.06765402458316 0.42374326465639 0.07995042181139 15.999 > 10 20 O 0.56765402458316 0.42374326465639 0.07995042181139 15.999 > 10 21 O 0.06765402458316 0.07625673534361 0.57995042181139 15.999 > 11 22 O 0.56765402458316 0.07625673534361 0.57995042181139 15.999 > 11 23 O 0.43234597541684 0.57625673534361 0.92004957818861 15.999 > 12 24 O 0.93234597541684 0.57625673534361 0.92004957818861 15.999 > 12 *25 O 0.42921717454990 0.20467560158832 0.40712054189036 15.999 > 13 26 O 0.92921717454990 0.20467560158832 0.40712054189036 15.999 > 13 27 O 0.07078282545010 0.70467560158832 0.09287945810964 15.999 > 14 28 O 0.57078282545010 0.70467560158832 0.09287945810964 15.999 > 14 *29 O 0.01030630719409 0.73987023060098 0.33036124172077 15.999 > 15 30 O 0.51030630719409 0.73987023060098 0.33036124172077 15.999 > 15 31 O 0.07078282545010 0.79532439841168 0.59287945810964 15.999 > 16 32 O 0.57078282545010 0.79532439841168 0.59287945810964 15.999 > 16 *33 O 0.02734367142173 0.54023454958146 0.68829076713635 15.999 > 17 34 O 0.52734367142173 0.54023454958146 0.68829076713635 15.999 > 17 35 O 0.47265632857827 0.04023454958146 0.81170923286365 15.999 > 18 36 O 0.97265632857827 0.04023454958146 0.81170923286365 15.999 > 18 37 O 0.47265632857827 0.45976545041854 0.31170923286365 15.999 > 19 38 O 0.97265632857827 0.45976545041854 0.31170923286365 15.999 > 19 39 O 0.02734367142173 0.95976545041854 0.18829076713635 15.999 > 20 40 O 0.52734367142173 0.95976545041854 0.18829076713635 15.999 > 20 *41 O 0.17815661323043 0.54110877408164 0.62372158076534 15.999 > 21 42 O 0.67815661323043 0.54110877408164 0.62372158076534 15.999 > 21 43 O 0.32184338676957 0.04110877408164 0.87627841923466 15.999 > 22 44 O 0.82184338676957 0.04110877408164 0.87627841923466 15.999 > 22 45 O 0.32184338676957 0.45889122591836 0.37627841923466 15.999 > 23 46 O 0.82184338676957 0.45889122591836 0.37627841923466 15.999 > 23 47 O 0.17815661323043 0.95889122591836 0.12372158076534 15.999 > 24 48 O 0.67815661323043 0.95889122591836 0.12372158076534 15.999 > 24 *49 O 0.18046451132371 0.45460199054358 0.85831856754570 15.999 > 25 50 O 0.68046451132371 0.45460199054358 0.85831856754570 15.999 > 25 51 O 0.31953548867629 0.95460199054358 0.64168143245430 15.999 > 26 52 O 0.81953548867629 0.95460199054358 0.64168143245430 15.999 > 26 53 O 0.31953548867629 0.54539800945642 0.14168143245430 15.999 > 27 54 O 0.81953548867629 0.54539800945642 0.14168143245430 15.999 > 27 55 O 0.18046451132371 0.04539800945642 0.35831856754570 15.999 > 28 56 O 0.68046451132371 0.04539800945642 0.35831856754570 15.999 > 28 *57 O 0.37000104488334 0.71024433906660 0.55054942597374 15.999 > 29 58 O 0.87000104488334 0.71024433906660 0.55054942597374 15.999 > 29 59 O 0.12999895511666 0.21024433906660 0.94945057402626 15.999 > 30 60 O 0.62999895511666 0.21024433906660 0.94945057402626 15.999 > 30 61 O 0.12999895511666 0.28975566093340 0.44945057402626 15.999 > 31 62 O 0.62999895511666 0.28975566093340 0.44945057402626 15.999 > 31 63 O 0.37000104488334 0.78975566093340 0.05054942597374 15.999 > 32 64 O 0.87000104488334 0.78975566093340 0.05054942597374 15.999 > 32 *65 O 0.27064059930472 0.76571206301703 0.79907787551069 15.999 > 33 66 O 0.77064059930471 0.76571206301703 0.79907787551069 15.999 > 33 67 O 0.22935940069528 0.26571206301703 0.70092212448931 15.999 > 34 68 O 0.72935940069529 0.26571206301703 0.70092212448931 15.999 > 34 69 O 0.22935940069528 0.23428793698297 0.20092212448931 15.999 > 35 70 O 0.72935940069529 0.23428793698297 0.20092212448931 15.999 > 35 71 O 0.27064059930472 0.73428793698297 0.29907787551069 15.999 > 36 72 O 0.77064059930471 0.73428793698297 0.29907787551069 15.999 > 36 *73 O 0.19665068244888 0.72515349828457 0.98002539104186 15.999 > 37 74 O 0.69665068244888 0.72515349828457 0.98002539104186 15.999 > 37 75 O 0.30334931755112 0.22515349828457 0.51997460895814 15.999 > 38 76 O 0.80334931755112 0.22515349828457 0.51997460895814 15.999 > 38 77 O 0.30334931755112 0.27484650171543 0.01997460895814 15.999 > 39 78 O 0.80334931755112 0.27484650171543 0.01997460895814 15.999 > 39 79 O 0.19665068244888 0.77484650171543 0.48002539104186 15.999 > 40 80 O 0.69665068244888 0.77484650171543 0.48002539104186 15.999 > 40 81 O 0.01030630719409 0.76012976939902 0.83036124172077 15.999 > 41 82 O 0.51030630719409 0.76012976939902 0.83036124172077 15.999 > 41 83 O 0.48969369280591 0.26012976939902 0.66963875827923 15.999 > 42 84 O 0.98969369280591 0.26012976939902 0.66963875827923 15.999 > 42 85 O 0.48969369280591 0.23987023060098 0.16963875827923 15.999 > 43 86 O 0.98969369280591 0.23987023060098 0.16963875827923 15.999 > 43 87 O 0.42921717454990 0.29532439841168 0.90712054189036 15.999 > 44 88 O 0.92921717454990 0.29532439841168 0.90712054189036 15.999 > 44 *89 Rb 0.14390046173540 0.54322007428349 0.33913589311047 85.468 > 45 90 Rb 0.64390046173540 0.54322007428349 0.33913589311047 85.468 > 45 91 Rb 0.35609953826460 0.04322007428349 0.16086410688953 85.468 > 46 92 Rb 0.85609953826460 0.04322007428349 0.16086410688953 85.468 > 46 93 Rb 0.35609953826460 0.45677992571651 0.66086410688953 85.468 > 47 94 Rb 0.85609953826460 0.45677992571651 0.66086410688953 85.468 > 47 95 Rb 0.14390046173540 0.95677992571651 0.83913589311047 85.468 > 48 96 Rb 0.64390046173540 0.95677992571651 0.83913589311047 85.468 > 48 *97 I 0.04345741886734 0.87106143195733 0.43761673293979 126.904 > 49 98 I 0.54345741886734 0.87106143195733 0.43761673293979 126.904 > 49 99 I 0.45654258113266 0.37106143195733 0.06238326706021 126.904 > 50 100 I 0.95654258113266 0.37106143195733 0.06238326706021 126.904 > 50 101 I 0.45654258113266 0.12893856804267 0.56238326706021 126.904 > 51 102 I 0.95654258113266 0.12893856804267 0.56238326706021 126.904 > 51 103 I 0.04345741886734 0.62893856804267 0.93761673293979 126.904 > 52 104 I 0.54345741886734 0.62893856804267 0.93761673293979 126.904 > 52 *105 I 0.29542339023278 0.82157570906319 0.44988165588513 126.904 > 53 106 I 0.79542339023278 0.82157570906319 0.44988165588513 126.904 > 53 107 I 0.20457660976722 0.32157570906319 0.05011834411487 126.904 > 54 108 I 0.70457660976722 0.32157570906319 0.05011834411487 126.904 > 54 109 I 0.20457660976722 0.17842429093681 0.55011834411487 126.904 > 55 110 I 0.70457660976722 0.17842429093681 0.55011834411487 126.904 > 55 111 I 0.29542339023278 0.67842429093681 0.94988165588513 126.904 > 56 112 I 0.79542339023278 0.67842429093681 0.94988165588513 126.904 > 56 *113 I 0.38372558053857 0.56176721899324 0.31240875547775 126.904 > 57 114 I 0.88372558053857 0.56176721899324 0.31240875547775 126.904 > 57 115 I 0.11627441946143 0.06176721899324 0.18759124452224 126.904 > 58 116 I 0.61627441946143 0.06176721899324 0.18759124452224 126.904 > 58 117 I 0.11627441946143 0.43823278100676 0.68759124452224 126.904 > 59 118 I 0.61627441946143 0.43823278100676 0.68759124452224 126.904 > 59 119 I 0.38372558053857 0.93823278100676 0.81240875547776 126.904 > 60 120 I 0.88372558053857 0.93823278100676 0.81240875547776 126.904 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8482087 0.0000000 -0.1095096 0.0000000 3.4122111 0.0000000 -0.1095098 0.0000000 3.4861820 -------------------------- Born effective charges -------------------------- 1 Li 0.9846136 -0.2106211 -0.0747051 0.0623974 1.1754348 0.1544100 0.2597940 0.2025358 1.2506312 2 Li 0.9846136 0.2106211 -0.0747051 -0.0623974 1.1754348 -0.1544100 0.2597940 -0.2025358 1.2506312 3 Li 0.9846136 -0.2106211 -0.0747051 0.0623974 1.1754348 0.1544100 0.2597940 0.2025358 1.2506312 4 Li 0.9846136 0.2106211 -0.0747051 -0.0623974 1.1754348 -0.1544100 0.2597940 -0.2025358 1.2506312 5 Li 1.0878511 0.1927429 0.1009801 0.0074940 1.0812723 0.3865669 -0.0587382 0.1524622 1.2892459 6 Li 1.0878511 -0.1927429 0.1009801 -0.0074940 1.0812723 -0.3865669 -0.0587382 -0.1524622 1.2892459 7 Li 1.0878511 0.1927429 0.1009801 0.0074940 1.0812723 0.3865669 -0.0587382 0.1524622 1.2892459 8 Li 1.0878511 -0.1927429 0.1009801 -0.0074940 1.0812723 -0.3865669 -0.0587382 -0.1524622 1.2892459 9 O -2.9823373 0.1045755 0.0821400 0.6928829 -1.5981630 -0.2701228 0.1724583 -0.2783498 -0.9467067 10 O -2.9823373 -0.1045755 0.0821400 -0.6928829 -1.5981630 0.2701228 0.1724583 0.2783498 -0.9467067 11 O -2.9823373 0.1045755 0.0821400 0.6928829 -1.5981630 -0.2701228 0.1724583 -0.2783498 -0.9467067 12 O -2.9823373 -0.1045755 0.0821400 -0.6928829 -1.5981630 0.2701228 0.1724583 0.2783498 -0.9467067 13 O -1.2093022 0.1694017 -0.1636570 -0.0223036 -1.2723782 0.5300279 0.1839894 0.7066060 -1.9691154 14 O -1.2093022 -0.1694017 -0.1636570 0.0223036 -1.2723782 -0.5300279 0.1839894 -0.7066060 -1.9691154 15 O -1.1665443 -0.1517552 0.0950075 -0.3221279 -2.0630643 -0.6662864 -0.1362839 -0.9215466 -1.6522856 16 O -1.2093022 0.1694017 -0.1636570 -0.0223036 -1.2723782 0.5300279 0.1839894 0.7066060 -1.9691154 17 O -2.1133347 1.2140847 0.2825792 0.7480253 -1.7820895 -0.2358940 -0.0258186 -0.1188938 -1.3528849 18 O -2.1133347 -1.2140847 0.2825792 -0.7480253 -1.7820895 0.2358940 -0.0258186 0.1188938 -1.3528849 19 O -2.1133347 1.2140847 0.2825792 0.7480253 -1.7820895 -0.2358940 -0.0258186 -0.1188938 -1.3528849 20 O -2.1133347 -1.2140847 0.2825792 -0.7480253 -1.7820895 0.2358940 -0.0258186 0.1188938 -1.3528849 21 O -1.5579619 -0.6617348 0.3289279 -0.3490702 -1.6218314 0.2150418 0.5458082 0.4184460 -1.2765009 22 O -1.5579619 0.6617348 0.3289279 0.3490702 -1.6218314 -0.2150418 0.5458082 -0.4184460 -1.2765009 23 O -1.5579619 -0.6617348 0.3289279 -0.3490702 -1.6218314 0.2150418 0.5458082 0.4184460 -1.2765009 24 O -1.5579619 0.6617348 0.3289279 0.3490702 -1.6218314 -0.2150418 0.5458082 -0.4184460 -1.2765009 25 O -0.9568323 -0.0372786 -0.0627698 0.0468594 -1.2157426 0.5680240 -0.1989938 -0.0207909 -3.0386468 26 O -0.9568323 0.0372786 -0.0627698 -0.0468594 -1.2157426 -0.5680240 -0.1989938 0.0207909 -3.0386468 27 O -0.9568323 -0.0372786 -0.0627698 0.0468594 -1.2157426 0.5680240 -0.1989938 -0.0207909 -3.0386468 28 O -0.9568323 0.0372786 -0.0627698 -0.0468594 -1.2157426 -0.5680240 -0.1989938 0.0207909 -3.0386468 29 O -1.6097943 0.5595319 -0.3914133 0.3623807 -1.3805459 0.2711661 -0.2255041 0.2496714 -1.4604336 30 O -1.6097943 -0.5595319 -0.3914133 -0.3623807 -1.3805459 -0.2711661 -0.2255041 -0.2496714 -1.4604336 31 O -1.6097943 0.5595319 -0.3914133 0.3623807 -1.3805459 0.2711661 -0.2255041 0.2496714 -1.4604336 32 O -1.6097943 -0.5595319 -0.3914133 -0.3623807 -1.3805459 -0.2711661 -0.2255041 -0.2496714 -1.4604336 33 O -1.3630937 -0.7019995 0.3736047 -0.4579724 -1.8057626 0.5270773 0.1720887 1.1713435 -2.0559987 34 O -1.3630937 0.7019995 0.3736047 0.4579724 -1.8057626 -0.5270773 0.1720887 -1.1713435 -2.0559987 35 O -1.3630937 -0.7019995 0.3736047 -0.4579724 -1.8057626 0.5270773 0.1720887 1.1713435 -2.0559987 36 O -1.3630937 0.7019995 0.3736047 0.4579724 -1.8057626 -0.5270773 0.1720887 -1.1713435 -2.0559987 37 O -3.5520655 0.5306995 0.3942356 -0.3572601 -1.0175490 -0.0108270 0.1408940 -0.0437342 -1.0107053 38 O -3.5520655 -0.5306995 0.3942356 0.3572601 -1.0175490 0.0108270 0.1408940 0.0437342 -1.0107053 39 O -3.5520655 0.5306995 0.3942356 -0.3572601 -1.0175490 -0.0108270 0.1408940 -0.0437342 -1.0107053 40 O -3.5520655 -0.5306995 0.3942356 0.3572601 -1.0175490 0.0108270 0.1408940 0.0437342 -1.0107053 41 O -1.1665443 0.1517552 0.0950075 0.3221279 -2.0630643 0.6662864 -0.1362839 0.9215466 -1.6522856 42 O -1.1665443 -0.1517552 0.0950075 -0.3221279 -2.0630643 -0.6662864 -0.1362839 -0.9215466 -1.6522856 43 O -1.1665443 0.1517552 0.0950075 0.3221279 -2.0630643 0.6662864 -0.1362839 0.9215466 -1.6522856 44 O -1.2093022 -0.1694017 -0.1636570 0.0223036 -1.2723782 -0.5300279 0.1839894 -0.7066060 -1.9691154 45 Rb 1.3774325 0.0554084 0.0545800 0.0209349 1.2884247 -0.0170700 -0.0282678 0.0812918 1.3226333 46 Rb 1.3774325 -0.0554084 0.0545800 -0.0209349 1.2884247 0.0170700 -0.0282678 -0.0812918 1.3226333 47 Rb 1.3774325 0.0554084 0.0545800 0.0209349 1.2884247 -0.0170700 -0.0282678 0.0812918 1.3226333 48 Rb 1.3774325 -0.0554084 0.0545800 -0.0209349 1.2884247 0.0170700 -0.0282678 -0.0812918 1.3226333 49 I 4.3255257 -1.1449068 -0.0881558 -1.0027710 3.6193318 0.0779309 -0.3711565 0.3462680 3.5575944 50 I 4.3255257 1.1449068 -0.0881558 1.0027710 3.6193318 -0.0779309 -0.3711565 -0.3462680 3.5575944 51 I 4.3255257 -1.1449068 -0.0881558 -1.0027710 3.6193318 0.0779309 -0.3711565 0.3462680 3.5575944 52 I 4.3255257 1.1449068 -0.0881558 1.0027710 3.6193318 -0.0779309 -0.3711565 -0.3462680 3.5575944 53 I 4.8200578 0.3892411 -0.7098542 -0.3221153 2.9781211 0.8169603 -0.1213500 1.0775649 4.0002121 54 I 4.8200578 -0.3892411 -0.7098542 0.3221153 2.9781211 -0.8169603 -0.1213500 -1.0775649 4.0002121 55 I 4.8200578 0.3892411 -0.7098542 -0.3221153 2.9781211 0.8169603 -0.1213500 1.0775649 4.0002121 56 I 4.8200578 -0.3892411 -0.7098542 0.3221153 2.9781211 -0.8169603 -0.1213500 -1.0775649 4.0002121 57 I 3.9157856 -0.8146836 -0.2214999 -0.7283688 3.6145419 -0.1186829 -0.3089194 0.6755497 3.3429611 58 I 3.9157856 0.8146836 -0.2214999 0.7283688 3.6145419 0.1186829 -0.3089194 -0.6755497 3.3429611 59 I 3.9157856 -0.8146836 -0.2214999 -0.7283688 3.6145419 -0.1186829 -0.3089194 0.6755497 3.3429611 60 I 3.9157856 0.8146836 -0.2214999 0.7283688 3.6145419 0.1186829 -0.3089194 -0.6755497 3.3429611 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.415 Solver_block: 200 / 1840 - Time: 2.097 Solver_block: 300 / 1840 - Time: 2.101 Solver_block: 400 / 1840 - Time: 2.101 Solver_block: 500 / 1840 - Time: 2.103 Solver_block: 600 / 1840 - Time: 2.104 Solver_block: 700 / 1840 - Time: 2.100 Solver_block: 800 / 1840 - Time: 2.104 Solver_block: 900 / 1840 - Time: 2.108 Solver_block: 1000 / 1840 - Time: 2.109 Solver_block: 1100 / 1840 - Time: 2.104 Solver_block: 1200 / 1840 - Time: 2.102 Solver_block: 1300 / 1840 - Time: 2.106 Solver_block: 1400 / 1840 - Time: 2.101 Solver_block: 1500 / 1840 - Time: 2.107 Solver_block: 1600 / 1840 - Time: 2.105 Solver_block: 1700 / 1840 - Time: 2.104 Solver_block: 1800 / 1840 - Time: 2.099 Solver_block: 1840 / 1840 - Time: 1.004 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 40.179 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zy) 0.00000000 (zy) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zy) 0.00000000 (zy) 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 05:33:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:33:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.187164910041954 0.000000000000000 0.000000000000000 b 0.000000000000000 10.979181759999999 0.000000000000000 c -3.846736351319023 0.000000000000000 10.448303264812177 Atomic positions (fractional): 1 Li 0.37304200313233 0.78351431949211 0.13766956597883 6.941 2 Li 0.62695799686767 0.28351431949211 0.36233043402117 6.941 3 Li 0.62695799686767 0.21648568050789 0.86233043402117 6.941 4 Li 0.37304200313233 0.71648568050789 0.63766956597883 6.941 5 Li 0.98287179054281 0.79009919057375 0.15298028420853 6.941 6 Li 0.01712820945719 0.29009919057375 0.34701971579147 6.941 7 Li 0.01712820945719 0.20990080942625 0.84701971579147 6.941 8 Li 0.98287179054281 0.70990080942625 0.65298028420853 6.941 9 O 0.86469195083368 0.92374326465639 0.42004957818861 15.999 10 O 0.13530804916632 0.42374326465639 0.07995042181139 15.999 11 O 0.13530804916632 0.07625673534361 0.57995042181139 15.999 12 O 0.86469195083368 0.57625673534361 0.92004957818861 15.999 13 O 0.85843434909979 0.20467560158832 0.40712054189036 15.999 14 O 0.14156565090021 0.70467560158832 0.09287945810964 15.999 15 O 0.02061261438818 0.73987023060098 0.33036124172077 15.999 16 O 0.14156565090021 0.79532439841168 0.59287945810964 15.999 17 O 0.05468734284345 0.54023454958146 0.68829076713635 15.999 18 O 0.94531265715655 0.04023454958146 0.81170923286365 15.999 19 O 0.94531265715655 0.45976545041854 0.31170923286365 15.999 20 O 0.05468734284345 0.95976545041854 0.18829076713635 15.999 21 O 0.35631322646086 0.54110877408164 0.62372158076534 15.999 22 O 0.64368677353914 0.04110877408164 0.87627841923466 15.999 23 O 0.64368677353914 0.45889122591836 0.37627841923466 15.999 24 O 0.35631322646086 0.95889122591836 0.12372158076534 15.999 25 O 0.36092902264741 0.45460199054358 0.85831856754570 15.999 26 O 0.63907097735259 0.95460199054358 0.64168143245430 15.999 27 O 0.63907097735259 0.54539800945642 0.14168143245430 15.999 28 O 0.36092902264741 0.04539800945642 0.35831856754570 15.999 29 O 0.74000208976667 0.71024433906660 0.55054942597374 15.999 30 O 0.25999791023333 0.21024433906660 0.94945057402626 15.999 31 O 0.25999791023333 0.28975566093340 0.44945057402626 15.999 32 O 0.74000208976667 0.78975566093340 0.05054942597374 15.999 33 O 0.54128119860943 0.76571206301703 0.79907787551069 15.999 34 O 0.45871880139057 0.26571206301703 0.70092212448931 15.999 35 O 0.45871880139057 0.23428793698297 0.20092212448931 15.999 36 O 0.54128119860943 0.73428793698297 0.29907787551069 15.999 37 O 0.39330136489775 0.72515349828457 0.98002539104186 15.999 38 O 0.60669863510225 0.22515349828457 0.51997460895814 15.999 39 O 0.60669863510225 0.27484650171543 0.01997460895814 15.999 40 O 0.39330136489775 0.77484650171543 0.48002539104186 15.999 41 O 0.02061261438818 0.76012976939902 0.83036124172077 15.999 42 O 0.97938738561182 0.26012976939902 0.66963875827923 15.999 43 O 0.97938738561182 0.23987023060098 0.16963875827923 15.999 44 O 0.85843434909979 0.29532439841168 0.90712054189036 15.999 45 Rb 0.28780092347081 0.54322007428349 0.33913589311047 85.468 46 Rb 0.71219907652919 0.04322007428349 0.16086410688953 85.468 47 Rb 0.71219907652919 0.45677992571651 0.66086410688953 85.468 48 Rb 0.28780092347081 0.95677992571651 0.83913589311047 85.468 49 I 0.08691483773468 0.87106143195733 0.43761673293979 126.904 50 I 0.91308516226532 0.37106143195733 0.06238326706021 126.904 51 I 0.91308516226532 0.12893856804267 0.56238326706021 126.904 52 I 0.08691483773468 0.62893856804267 0.93761673293979 126.904 53 I 0.59084678046557 0.82157570906319 0.44988165588513 126.904 54 I 0.40915321953444 0.32157570906319 0.05011834411487 126.904 55 I 0.40915321953444 0.17842429093681 0.55011834411487 126.904 56 I 0.59084678046557 0.67842429093681 0.94988165588513 126.904 57 I 0.76745116107714 0.56176721899324 0.31240875547775 126.904 58 I 0.23254883892286 0.06176721899324 0.18759124452224 126.904 59 I 0.23254883892286 0.43823278100676 0.68759124452224 126.904 60 I 0.76745116107714 0.93823278100676 0.81240875547776 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.374329820083908 0.000000000000000 0.000000000000000 b 0.000000000000000 10.979181759999999 0.000000000000000 c -3.846736351319023 0.000000000000000 10.448303264812177 Atomic positions (fractional): 1 Li 0.18652100156616 0.78351431949211 0.13766956597883 6.941 > 1 2 Li 0.68652100156616 0.78351431949211 0.13766956597883 6.941 > 1 3 Li 0.31347899843384 0.28351431949211 0.36233043402117 6.941 > 3 4 Li 0.81347899843384 0.28351431949211 0.36233043402117 6.941 > 3 5 Li 0.31347899843384 0.21648568050789 0.86233043402117 6.941 > 5 6 Li 0.81347899843384 0.21648568050789 0.86233043402117 6.941 > 5 7 Li 0.18652100156616 0.71648568050789 0.63766956597883 6.941 > 7 8 Li 0.68652100156616 0.71648568050789 0.63766956597883 6.941 > 7 9 Li 0.49143589527140 0.79009919057375 0.15298028420853 6.941 > 9 10 Li 0.99143589527140 0.79009919057375 0.15298028420853 6.941 > 9 11 Li 0.00856410472860 0.29009919057375 0.34701971579147 6.941 > 11 12 Li 0.50856410472860 0.29009919057375 0.34701971579147 6.941 > 11 13 Li 0.00856410472860 0.20990080942625 0.84701971579147 6.941 > 13 14 Li 0.50856410472860 0.20990080942625 0.84701971579147 6.941 > 13 15 Li 0.49143589527140 0.70990080942625 0.65298028420853 6.941 > 15 16 Li 0.99143589527140 0.70990080942625 0.65298028420853 6.941 > 15 17 O 0.43234597541684 0.92374326465639 0.42004957818861 15.999 > 17 18 O 0.93234597541684 0.92374326465639 0.42004957818861 15.999 > 17 19 O 0.06765402458316 0.42374326465639 0.07995042181139 15.999 > 19 20 O 0.56765402458316 0.42374326465639 0.07995042181139 15.999 > 19 21 O 0.06765402458316 0.07625673534361 0.57995042181139 15.999 > 21 22 O 0.56765402458316 0.07625673534361 0.57995042181139 15.999 > 21 23 O 0.43234597541684 0.57625673534361 0.92004957818861 15.999 > 23 24 O 0.93234597541684 0.57625673534361 0.92004957818861 15.999 > 23 25 O 0.42921717454990 0.20467560158832 0.40712054189036 15.999 > 25 26 O 0.92921717454990 0.20467560158832 0.40712054189036 15.999 > 25 27 O 0.07078282545010 0.70467560158832 0.09287945810964 15.999 > 27 28 O 0.57078282545010 0.70467560158832 0.09287945810964 15.999 > 27 29 O 0.01030630719409 0.73987023060098 0.33036124172077 15.999 > 29 30 O 0.51030630719409 0.73987023060098 0.33036124172077 15.999 > 29 31 O 0.07078282545010 0.79532439841168 0.59287945810964 15.999 > 31 32 O 0.57078282545010 0.79532439841168 0.59287945810964 15.999 > 31 33 O 0.02734367142173 0.54023454958146 0.68829076713635 15.999 > 33 34 O 0.52734367142173 0.54023454958146 0.68829076713635 15.999 > 33 35 O 0.47265632857827 0.04023454958146 0.81170923286365 15.999 > 35 36 O 0.97265632857827 0.04023454958146 0.81170923286365 15.999 > 35 37 O 0.47265632857827 0.45976545041854 0.31170923286365 15.999 > 37 38 O 0.97265632857827 0.45976545041854 0.31170923286365 15.999 > 37 39 O 0.02734367142173 0.95976545041854 0.18829076713635 15.999 > 39 40 O 0.52734367142173 0.95976545041854 0.18829076713635 15.999 > 39 41 O 0.17815661323043 0.54110877408164 0.62372158076534 15.999 > 41 42 O 0.67815661323043 0.54110877408164 0.62372158076534 15.999 > 41 43 O 0.32184338676957 0.04110877408164 0.87627841923466 15.999 > 43 44 O 0.82184338676957 0.04110877408164 0.87627841923466 15.999 > 43 45 O 0.32184338676957 0.45889122591836 0.37627841923466 15.999 > 45 46 O 0.82184338676957 0.45889122591836 0.37627841923466 15.999 > 45 47 O 0.17815661323043 0.95889122591836 0.12372158076534 15.999 > 47 48 O 0.67815661323043 0.95889122591836 0.12372158076534 15.999 > 47 49 O 0.18046451132371 0.45460199054358 0.85831856754570 15.999 > 49 50 O 0.68046451132371 0.45460199054358 0.85831856754570 15.999 > 49 51 O 0.31953548867629 0.95460199054358 0.64168143245430 15.999 > 51 52 O 0.81953548867629 0.95460199054358 0.64168143245430 15.999 > 51 53 O 0.31953548867629 0.54539800945642 0.14168143245430 15.999 > 53 54 O 0.81953548867629 0.54539800945642 0.14168143245430 15.999 > 53 55 O 0.18046451132371 0.04539800945642 0.35831856754570 15.999 > 55 56 O 0.68046451132371 0.04539800945642 0.35831856754570 15.999 > 55 57 O 0.37000104488334 0.71024433906660 0.55054942597374 15.999 > 57 58 O 0.87000104488334 0.71024433906660 0.55054942597374 15.999 > 57 59 O 0.12999895511666 0.21024433906660 0.94945057402626 15.999 > 59 60 O 0.62999895511666 0.21024433906660 0.94945057402626 15.999 > 59 61 O 0.12999895511666 0.28975566093340 0.44945057402626 15.999 > 61 62 O 0.62999895511666 0.28975566093340 0.44945057402626 15.999 > 61 63 O 0.37000104488334 0.78975566093340 0.05054942597374 15.999 > 63 64 O 0.87000104488334 0.78975566093340 0.05054942597374 15.999 > 63 65 O 0.27064059930472 0.76571206301703 0.79907787551069 15.999 > 65 66 O 0.77064059930471 0.76571206301703 0.79907787551069 15.999 > 65 67 O 0.22935940069528 0.26571206301703 0.70092212448931 15.999 > 67 68 O 0.72935940069529 0.26571206301703 0.70092212448931 15.999 > 67 69 O 0.22935940069528 0.23428793698297 0.20092212448931 15.999 > 69 70 O 0.72935940069529 0.23428793698297 0.20092212448931 15.999 > 69 71 O 0.27064059930472 0.73428793698297 0.29907787551069 15.999 > 71 72 O 0.77064059930471 0.73428793698297 0.29907787551069 15.999 > 71 73 O 0.19665068244888 0.72515349828457 0.98002539104186 15.999 > 73 74 O 0.69665068244888 0.72515349828457 0.98002539104186 15.999 > 73 75 O 0.30334931755112 0.22515349828457 0.51997460895814 15.999 > 75 76 O 0.80334931755112 0.22515349828457 0.51997460895814 15.999 > 75 77 O 0.30334931755112 0.27484650171543 0.01997460895814 15.999 > 77 78 O 0.80334931755112 0.27484650171543 0.01997460895814 15.999 > 77 79 O 0.19665068244888 0.77484650171543 0.48002539104186 15.999 > 79 80 O 0.69665068244888 0.77484650171543 0.48002539104186 15.999 > 79 81 O 0.01030630719409 0.76012976939902 0.83036124172077 15.999 > 81 82 O 0.51030630719409 0.76012976939902 0.83036124172077 15.999 > 81 83 O 0.48969369280591 0.26012976939902 0.66963875827923 15.999 > 83 84 O 0.98969369280591 0.26012976939902 0.66963875827923 15.999 > 83 85 O 0.48969369280591 0.23987023060098 0.16963875827923 15.999 > 85 86 O 0.98969369280591 0.23987023060098 0.16963875827923 15.999 > 85 87 O 0.42921717454990 0.29532439841168 0.90712054189036 15.999 > 87 88 O 0.92921717454990 0.29532439841168 0.90712054189036 15.999 > 87 89 Rb 0.14390046173540 0.54322007428349 0.33913589311047 85.468 > 89 90 Rb 0.64390046173540 0.54322007428349 0.33913589311047 85.468 > 89 91 Rb 0.35609953826460 0.04322007428349 0.16086410688953 85.468 > 91 92 Rb 0.85609953826460 0.04322007428349 0.16086410688953 85.468 > 91 93 Rb 0.35609953826460 0.45677992571651 0.66086410688953 85.468 > 93 94 Rb 0.85609953826460 0.45677992571651 0.66086410688953 85.468 > 93 95 Rb 0.14390046173540 0.95677992571651 0.83913589311047 85.468 > 95 96 Rb 0.64390046173540 0.95677992571651 0.83913589311047 85.468 > 95 97 I 0.04345741886734 0.87106143195733 0.43761673293979 126.904 > 97 98 I 0.54345741886734 0.87106143195733 0.43761673293979 126.904 > 97 99 I 0.45654258113266 0.37106143195733 0.06238326706021 126.904 > 99 100 I 0.95654258113266 0.37106143195733 0.06238326706021 126.904 > 99 101 I 0.45654258113266 0.12893856804267 0.56238326706021 126.904 > 101 102 I 0.95654258113266 0.12893856804267 0.56238326706021 126.904 > 101 103 I 0.04345741886734 0.62893856804267 0.93761673293979 126.904 > 103 104 I 0.54345741886734 0.62893856804267 0.93761673293979 126.904 > 103 105 I 0.29542339023278 0.82157570906319 0.44988165588513 126.904 > 105 106 I 0.79542339023278 0.82157570906319 0.44988165588513 126.904 > 105 107 I 0.20457660976722 0.32157570906319 0.05011834411487 126.904 > 107 108 I 0.70457660976722 0.32157570906319 0.05011834411487 126.904 > 107 109 I 0.20457660976722 0.17842429093681 0.55011834411487 126.904 > 109 110 I 0.70457660976722 0.17842429093681 0.55011834411487 126.904 > 109 111 I 0.29542339023278 0.67842429093681 0.94988165588513 126.904 > 111 112 I 0.79542339023278 0.67842429093681 0.94988165588513 126.904 > 111 113 I 0.38372558053857 0.56176721899324 0.31240875547775 126.904 > 113 114 I 0.88372558053857 0.56176721899324 0.31240875547775 126.904 > 113 115 I 0.11627441946143 0.06176721899324 0.18759124452224 126.904 > 115 116 I 0.61627441946143 0.06176721899324 0.18759124452224 126.904 > 115 117 I 0.11627441946143 0.43823278100676 0.68759124452224 126.904 > 117 118 I 0.61627441946143 0.43823278100676 0.68759124452224 126.904 > 117 119 I 0.38372558053857 0.93823278100676 0.81240875547776 126.904 > 119 120 I 0.88372558053857 0.93823278100676 0.81240875547776 126.904 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8482087 0.0000000 -0.1095096 0.0000000 3.4122111 0.0000000 -0.1095098 0.0000000 3.4861820 -------------------------- Born effective charges -------------------------- 1 Li 0.9846136 -0.2106211 -0.0747051 0.0623974 1.1754348 0.1544100 0.2597940 0.2025358 1.2506312 2 Li 0.9846136 0.2106211 -0.0747051 -0.0623974 1.1754348 -0.1544100 0.2597940 -0.2025358 1.2506312 3 Li 0.9846136 -0.2106211 -0.0747051 0.0623974 1.1754348 0.1544100 0.2597940 0.2025358 1.2506312 4 Li 0.9846136 0.2106211 -0.0747051 -0.0623974 1.1754348 -0.1544100 0.2597940 -0.2025358 1.2506312 5 Li 1.0878511 0.1927429 0.1009801 0.0074940 1.0812723 0.3865669 -0.0587382 0.1524622 1.2892459 6 Li 1.0878511 -0.1927429 0.1009801 -0.0074940 1.0812723 -0.3865669 -0.0587382 -0.1524622 1.2892459 7 Li 1.0878511 0.1927429 0.1009801 0.0074940 1.0812723 0.3865669 -0.0587382 0.1524622 1.2892459 8 Li 1.0878511 -0.1927429 0.1009801 -0.0074940 1.0812723 -0.3865669 -0.0587382 -0.1524622 1.2892459 9 O -2.9823373 0.1045755 0.0821400 0.6928829 -1.5981630 -0.2701228 0.1724583 -0.2783498 -0.9467067 10 O -2.9823373 -0.1045755 0.0821400 -0.6928829 -1.5981630 0.2701228 0.1724583 0.2783498 -0.9467067 11 O -2.9823373 0.1045755 0.0821400 0.6928829 -1.5981630 -0.2701228 0.1724583 -0.2783498 -0.9467067 12 O -2.9823373 -0.1045755 0.0821400 -0.6928829 -1.5981630 0.2701228 0.1724583 0.2783498 -0.9467067 13 O -1.2093022 0.1694017 -0.1636570 -0.0223036 -1.2723782 0.5300279 0.1839894 0.7066060 -1.9691154 14 O -1.2093022 -0.1694017 -0.1636570 0.0223036 -1.2723782 -0.5300279 0.1839894 -0.7066060 -1.9691154 15 O -1.1665443 -0.1517552 0.0950075 -0.3221279 -2.0630643 -0.6662864 -0.1362839 -0.9215466 -1.6522856 16 O -1.2093022 0.1694017 -0.1636570 -0.0223036 -1.2723782 0.5300279 0.1839894 0.7066060 -1.9691154 17 O -2.1133347 1.2140847 0.2825792 0.7480253 -1.7820895 -0.2358940 -0.0258186 -0.1188938 -1.3528849 18 O -2.1133347 -1.2140847 0.2825792 -0.7480253 -1.7820895 0.2358940 -0.0258186 0.1188938 -1.3528849 19 O -2.1133347 1.2140847 0.2825792 0.7480253 -1.7820895 -0.2358940 -0.0258186 -0.1188938 -1.3528849 20 O -2.1133347 -1.2140847 0.2825792 -0.7480253 -1.7820895 0.2358940 -0.0258186 0.1188938 -1.3528849 21 O -1.5579619 -0.6617348 0.3289279 -0.3490702 -1.6218314 0.2150418 0.5458082 0.4184460 -1.2765009 22 O -1.5579619 0.6617348 0.3289279 0.3490702 -1.6218314 -0.2150418 0.5458082 -0.4184460 -1.2765009 23 O -1.5579619 -0.6617348 0.3289279 -0.3490702 -1.6218314 0.2150418 0.5458082 0.4184460 -1.2765009 24 O -1.5579619 0.6617348 0.3289279 0.3490702 -1.6218314 -0.2150418 0.5458082 -0.4184460 -1.2765009 25 O -0.9568323 -0.0372786 -0.0627698 0.0468594 -1.2157426 0.5680240 -0.1989938 -0.0207909 -3.0386468 26 O -0.9568323 0.0372786 -0.0627698 -0.0468594 -1.2157426 -0.5680240 -0.1989938 0.0207909 -3.0386468 27 O -0.9568323 -0.0372786 -0.0627698 0.0468594 -1.2157426 0.5680240 -0.1989938 -0.0207909 -3.0386468 28 O -0.9568323 0.0372786 -0.0627698 -0.0468594 -1.2157426 -0.5680240 -0.1989938 0.0207909 -3.0386468 29 O -1.6097943 0.5595319 -0.3914133 0.3623807 -1.3805459 0.2711661 -0.2255041 0.2496714 -1.4604336 30 O -1.6097943 -0.5595319 -0.3914133 -0.3623807 -1.3805459 -0.2711661 -0.2255041 -0.2496714 -1.4604336 31 O -1.6097943 0.5595319 -0.3914133 0.3623807 -1.3805459 0.2711661 -0.2255041 0.2496714 -1.4604336 32 O -1.6097943 -0.5595319 -0.3914133 -0.3623807 -1.3805459 -0.2711661 -0.2255041 -0.2496714 -1.4604336 33 O -1.3630937 -0.7019995 0.3736047 -0.4579724 -1.8057626 0.5270773 0.1720887 1.1713435 -2.0559987 34 O -1.3630937 0.7019995 0.3736047 0.4579724 -1.8057626 -0.5270773 0.1720887 -1.1713435 -2.0559987 35 O -1.3630937 -0.7019995 0.3736047 -0.4579724 -1.8057626 0.5270773 0.1720887 1.1713435 -2.0559987 36 O -1.3630937 0.7019995 0.3736047 0.4579724 -1.8057626 -0.5270773 0.1720887 -1.1713435 -2.0559987 37 O -3.5520655 0.5306995 0.3942356 -0.3572601 -1.0175490 -0.0108270 0.1408940 -0.0437342 -1.0107053 38 O -3.5520655 -0.5306995 0.3942356 0.3572601 -1.0175490 0.0108270 0.1408940 0.0437342 -1.0107053 39 O -3.5520655 0.5306995 0.3942356 -0.3572601 -1.0175490 -0.0108270 0.1408940 -0.0437342 -1.0107053 40 O -3.5520655 -0.5306995 0.3942356 0.3572601 -1.0175490 0.0108270 0.1408940 0.0437342 -1.0107053 41 O -1.1665443 0.1517552 0.0950075 0.3221279 -2.0630643 0.6662864 -0.1362839 0.9215466 -1.6522856 42 O -1.1665443 -0.1517552 0.0950075 -0.3221279 -2.0630643 -0.6662864 -0.1362839 -0.9215466 -1.6522856 43 O -1.1665443 0.1517552 0.0950075 0.3221279 -2.0630643 0.6662864 -0.1362839 0.9215466 -1.6522856 44 O -1.2093022 -0.1694017 -0.1636570 0.0223036 -1.2723782 -0.5300279 0.1839894 -0.7066060 -1.9691154 45 Rb 1.3774325 0.0554084 0.0545800 0.0209349 1.2884247 -0.0170700 -0.0282678 0.0812918 1.3226333 46 Rb 1.3774325 -0.0554084 0.0545800 -0.0209349 1.2884247 0.0170700 -0.0282678 -0.0812918 1.3226333 47 Rb 1.3774325 0.0554084 0.0545800 0.0209349 1.2884247 -0.0170700 -0.0282678 0.0812918 1.3226333 48 Rb 1.3774325 -0.0554084 0.0545800 -0.0209349 1.2884247 0.0170700 -0.0282678 -0.0812918 1.3226333 49 I 4.3255257 -1.1449068 -0.0881558 -1.0027710 3.6193318 0.0779309 -0.3711565 0.3462680 3.5575944 50 I 4.3255257 1.1449068 -0.0881558 1.0027710 3.6193318 -0.0779309 -0.3711565 -0.3462680 3.5575944 51 I 4.3255257 -1.1449068 -0.0881558 -1.0027710 3.6193318 0.0779309 -0.3711565 0.3462680 3.5575944 52 I 4.3255257 1.1449068 -0.0881558 1.0027710 3.6193318 -0.0779309 -0.3711565 -0.3462680 3.5575944 53 I 4.8200578 0.3892411 -0.7098542 -0.3221153 2.9781211 0.8169603 -0.1213500 1.0775649 4.0002121 54 I 4.8200578 -0.3892411 -0.7098542 0.3221153 2.9781211 -0.8169603 -0.1213500 -1.0775649 4.0002121 55 I 4.8200578 0.3892411 -0.7098542 -0.3221153 2.9781211 0.8169603 -0.1213500 1.0775649 4.0002121 56 I 4.8200578 -0.3892411 -0.7098542 0.3221153 2.9781211 -0.8169603 -0.1213500 -1.0775649 4.0002121 57 I 3.9157856 -0.8146836 -0.2214999 -0.7283688 3.6145419 -0.1186829 -0.3089194 0.6755497 3.3429611 58 I 3.9157856 0.8146836 -0.2214999 0.7283688 3.6145419 0.1186829 -0.3089194 -0.6755497 3.3429611 59 I 3.9157856 -0.8146836 -0.2214999 -0.7283688 3.6145419 -0.1186829 -0.3089194 0.6755497 3.3429611 60 I 3.9157856 0.8146836 -0.2214999 0.7283688 3.6145419 0.1186829 -0.3089194 -0.6755497 3.3429611 ---------------------------------------------------------------------------- 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 29, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 05:34:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:34:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.187164910041954 0.000000000000000 0.000000000000000 b 0.000000000000000 10.979181759999999 0.000000000000000 c -3.846736351319023 0.000000000000000 10.448303264812177 Atomic positions (fractional): 1 Li 0.37304200313233 0.78351431949211 0.13766956597883 6.941 2 Li 0.62695799686767 0.28351431949211 0.36233043402117 6.941 3 Li 0.62695799686767 0.21648568050789 0.86233043402117 6.941 4 Li 0.37304200313233 0.71648568050789 0.63766956597883 6.941 5 Li 0.98287179054281 0.79009919057375 0.15298028420853 6.941 6 Li 0.01712820945719 0.29009919057375 0.34701971579147 6.941 7 Li 0.01712820945719 0.20990080942625 0.84701971579147 6.941 8 Li 0.98287179054281 0.70990080942625 0.65298028420853 6.941 9 O 0.86469195083368 0.92374326465639 0.42004957818861 15.999 10 O 0.13530804916632 0.42374326465639 0.07995042181139 15.999 11 O 0.13530804916632 0.07625673534361 0.57995042181139 15.999 12 O 0.86469195083368 0.57625673534361 0.92004957818861 15.999 13 O 0.85843434909979 0.20467560158832 0.40712054189036 15.999 14 O 0.14156565090021 0.70467560158832 0.09287945810964 15.999 15 O 0.02061261438818 0.73987023060098 0.33036124172077 15.999 16 O 0.14156565090021 0.79532439841168 0.59287945810964 15.999 17 O 0.05468734284345 0.54023454958146 0.68829076713635 15.999 18 O 0.94531265715655 0.04023454958146 0.81170923286365 15.999 19 O 0.94531265715655 0.45976545041854 0.31170923286365 15.999 20 O 0.05468734284345 0.95976545041854 0.18829076713635 15.999 21 O 0.35631322646086 0.54110877408164 0.62372158076534 15.999 22 O 0.64368677353914 0.04110877408164 0.87627841923466 15.999 23 O 0.64368677353914 0.45889122591836 0.37627841923466 15.999 24 O 0.35631322646086 0.95889122591836 0.12372158076534 15.999 25 O 0.36092902264741 0.45460199054358 0.85831856754570 15.999 26 O 0.63907097735259 0.95460199054358 0.64168143245430 15.999 27 O 0.63907097735259 0.54539800945642 0.14168143245430 15.999 28 O 0.36092902264741 0.04539800945642 0.35831856754570 15.999 29 O 0.74000208976667 0.71024433906660 0.55054942597374 15.999 30 O 0.25999791023333 0.21024433906660 0.94945057402626 15.999 31 O 0.25999791023333 0.28975566093340 0.44945057402626 15.999 32 O 0.74000208976667 0.78975566093340 0.05054942597374 15.999 33 O 0.54128119860943 0.76571206301703 0.79907787551069 15.999 34 O 0.45871880139057 0.26571206301703 0.70092212448931 15.999 35 O 0.45871880139057 0.23428793698297 0.20092212448931 15.999 36 O 0.54128119860943 0.73428793698297 0.29907787551069 15.999 37 O 0.39330136489775 0.72515349828457 0.98002539104186 15.999 38 O 0.60669863510225 0.22515349828457 0.51997460895814 15.999 39 O 0.60669863510225 0.27484650171543 0.01997460895814 15.999 40 O 0.39330136489775 0.77484650171543 0.48002539104186 15.999 41 O 0.02061261438818 0.76012976939902 0.83036124172077 15.999 42 O 0.97938738561182 0.26012976939902 0.66963875827923 15.999 43 O 0.97938738561182 0.23987023060098 0.16963875827923 15.999 44 O 0.85843434909979 0.29532439841168 0.90712054189036 15.999 45 Rb 0.28780092347081 0.54322007428349 0.33913589311047 85.468 46 Rb 0.71219907652919 0.04322007428349 0.16086410688953 85.468 47 Rb 0.71219907652919 0.45677992571651 0.66086410688953 85.468 48 Rb 0.28780092347081 0.95677992571651 0.83913589311047 85.468 49 I 0.08691483773468 0.87106143195733 0.43761673293979 126.904 50 I 0.91308516226532 0.37106143195733 0.06238326706021 126.904 51 I 0.91308516226532 0.12893856804267 0.56238326706021 126.904 52 I 0.08691483773468 0.62893856804267 0.93761673293979 126.904 53 I 0.59084678046557 0.82157570906319 0.44988165588513 126.904 54 I 0.40915321953444 0.32157570906319 0.05011834411487 126.904 55 I 0.40915321953444 0.17842429093681 0.55011834411487 126.904 56 I 0.59084678046557 0.67842429093681 0.94988165588513 126.904 57 I 0.76745116107714 0.56176721899324 0.31240875547775 126.904 58 I 0.23254883892286 0.06176721899324 0.18759124452224 126.904 59 I 0.23254883892286 0.43823278100676 0.68759124452224 126.904 60 I 0.76745116107714 0.93823278100676 0.81240875547776 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.374329820083908 0.000000000000000 0.000000000000000 b 0.000000000000000 10.979181759999999 0.000000000000000 c -3.846736351319023 0.000000000000000 10.448303264812177 Atomic positions (fractional): 1 Li 0.18652100156616 0.78351431949211 0.13766956597883 6.941 > 1 2 Li 0.68652100156616 0.78351431949211 0.13766956597883 6.941 > 1 3 Li 0.31347899843384 0.28351431949211 0.36233043402117 6.941 > 3 4 Li 0.81347899843384 0.28351431949211 0.36233043402117 6.941 > 3 5 Li 0.31347899843384 0.21648568050789 0.86233043402117 6.941 > 5 6 Li 0.81347899843384 0.21648568050789 0.86233043402117 6.941 > 5 7 Li 0.18652100156616 0.71648568050789 0.63766956597883 6.941 > 7 8 Li 0.68652100156616 0.71648568050789 0.63766956597883 6.941 > 7 9 Li 0.49143589527140 0.79009919057375 0.15298028420853 6.941 > 9 10 Li 0.99143589527140 0.79009919057375 0.15298028420853 6.941 > 9 11 Li 0.00856410472860 0.29009919057375 0.34701971579147 6.941 > 11 12 Li 0.50856410472860 0.29009919057375 0.34701971579147 6.941 > 11 13 Li 0.00856410472860 0.20990080942625 0.84701971579147 6.941 > 13 14 Li 0.50856410472860 0.20990080942625 0.84701971579147 6.941 > 13 15 Li 0.49143589527140 0.70990080942625 0.65298028420853 6.941 > 15 16 Li 0.99143589527140 0.70990080942625 0.65298028420853 6.941 > 15 17 O 0.43234597541684 0.92374326465639 0.42004957818861 15.999 > 17 18 O 0.93234597541684 0.92374326465639 0.42004957818861 15.999 > 17 19 O 0.06765402458316 0.42374326465639 0.07995042181139 15.999 > 19 20 O 0.56765402458316 0.42374326465639 0.07995042181139 15.999 > 19 21 O 0.06765402458316 0.07625673534361 0.57995042181139 15.999 > 21 22 O 0.56765402458316 0.07625673534361 0.57995042181139 15.999 > 21 23 O 0.43234597541684 0.57625673534361 0.92004957818861 15.999 > 23 24 O 0.93234597541684 0.57625673534361 0.92004957818861 15.999 > 23 25 O 0.42921717454990 0.20467560158832 0.40712054189036 15.999 > 25 26 O 0.92921717454990 0.20467560158832 0.40712054189036 15.999 > 25 27 O 0.07078282545010 0.70467560158832 0.09287945810964 15.999 > 27 28 O 0.57078282545010 0.70467560158832 0.09287945810964 15.999 > 27 29 O 0.01030630719409 0.73987023060098 0.33036124172077 15.999 > 29 30 O 0.51030630719409 0.73987023060098 0.33036124172077 15.999 > 29 31 O 0.07078282545010 0.79532439841168 0.59287945810964 15.999 > 31 32 O 0.57078282545010 0.79532439841168 0.59287945810964 15.999 > 31 33 O 0.02734367142173 0.54023454958146 0.68829076713635 15.999 > 33 34 O 0.52734367142173 0.54023454958146 0.68829076713635 15.999 > 33 35 O 0.47265632857827 0.04023454958146 0.81170923286365 15.999 > 35 36 O 0.97265632857827 0.04023454958146 0.81170923286365 15.999 > 35 37 O 0.47265632857827 0.45976545041854 0.31170923286365 15.999 > 37 38 O 0.97265632857827 0.45976545041854 0.31170923286365 15.999 > 37 39 O 0.02734367142173 0.95976545041854 0.18829076713635 15.999 > 39 40 O 0.52734367142173 0.95976545041854 0.18829076713635 15.999 > 39 41 O 0.17815661323043 0.54110877408164 0.62372158076534 15.999 > 41 42 O 0.67815661323043 0.54110877408164 0.62372158076534 15.999 > 41 43 O 0.32184338676957 0.04110877408164 0.87627841923466 15.999 > 43 44 O 0.82184338676957 0.04110877408164 0.87627841923466 15.999 > 43 45 O 0.32184338676957 0.45889122591836 0.37627841923466 15.999 > 45 46 O 0.82184338676957 0.45889122591836 0.37627841923466 15.999 > 45 47 O 0.17815661323043 0.95889122591836 0.12372158076534 15.999 > 47 48 O 0.67815661323043 0.95889122591836 0.12372158076534 15.999 > 47 49 O 0.18046451132371 0.45460199054358 0.85831856754570 15.999 > 49 50 O 0.68046451132371 0.45460199054358 0.85831856754570 15.999 > 49 51 O 0.31953548867629 0.95460199054358 0.64168143245430 15.999 > 51 52 O 0.81953548867629 0.95460199054358 0.64168143245430 15.999 > 51 53 O 0.31953548867629 0.54539800945642 0.14168143245430 15.999 > 53 54 O 0.81953548867629 0.54539800945642 0.14168143245430 15.999 > 53 55 O 0.18046451132371 0.04539800945642 0.35831856754570 15.999 > 55 56 O 0.68046451132371 0.04539800945642 0.35831856754570 15.999 > 55 57 O 0.37000104488334 0.71024433906660 0.55054942597374 15.999 > 57 58 O 0.87000104488334 0.71024433906660 0.55054942597374 15.999 > 57 59 O 0.12999895511666 0.21024433906660 0.94945057402626 15.999 > 59 60 O 0.62999895511666 0.21024433906660 0.94945057402626 15.999 > 59 61 O 0.12999895511666 0.28975566093340 0.44945057402626 15.999 > 61 62 O 0.62999895511666 0.28975566093340 0.44945057402626 15.999 > 61 63 O 0.37000104488334 0.78975566093340 0.05054942597374 15.999 > 63 64 O 0.87000104488334 0.78975566093340 0.05054942597374 15.999 > 63 65 O 0.27064059930472 0.76571206301703 0.79907787551069 15.999 > 65 66 O 0.77064059930471 0.76571206301703 0.79907787551069 15.999 > 65 67 O 0.22935940069528 0.26571206301703 0.70092212448931 15.999 > 67 68 O 0.72935940069529 0.26571206301703 0.70092212448931 15.999 > 67 69 O 0.22935940069528 0.23428793698297 0.20092212448931 15.999 > 69 70 O 0.72935940069529 0.23428793698297 0.20092212448931 15.999 > 69 71 O 0.27064059930472 0.73428793698297 0.29907787551069 15.999 > 71 72 O 0.77064059930471 0.73428793698297 0.29907787551069 15.999 > 71 73 O 0.19665068244888 0.72515349828457 0.98002539104186 15.999 > 73 74 O 0.69665068244888 0.72515349828457 0.98002539104186 15.999 > 73 75 O 0.30334931755112 0.22515349828457 0.51997460895814 15.999 > 75 76 O 0.80334931755112 0.22515349828457 0.51997460895814 15.999 > 75 77 O 0.30334931755112 0.27484650171543 0.01997460895814 15.999 > 77 78 O 0.80334931755112 0.27484650171543 0.01997460895814 15.999 > 77 79 O 0.19665068244888 0.77484650171543 0.48002539104186 15.999 > 79 80 O 0.69665068244888 0.77484650171543 0.48002539104186 15.999 > 79 81 O 0.01030630719409 0.76012976939902 0.83036124172077 15.999 > 81 82 O 0.51030630719409 0.76012976939902 0.83036124172077 15.999 > 81 83 O 0.48969369280591 0.26012976939902 0.66963875827923 15.999 > 83 84 O 0.98969369280591 0.26012976939902 0.66963875827923 15.999 > 83 85 O 0.48969369280591 0.23987023060098 0.16963875827923 15.999 > 85 86 O 0.98969369280591 0.23987023060098 0.16963875827923 15.999 > 85 87 O 0.42921717454990 0.29532439841168 0.90712054189036 15.999 > 87 88 O 0.92921717454990 0.29532439841168 0.90712054189036 15.999 > 87 89 Rb 0.14390046173540 0.54322007428349 0.33913589311047 85.468 > 89 90 Rb 0.64390046173540 0.54322007428349 0.33913589311047 85.468 > 89 91 Rb 0.35609953826460 0.04322007428349 0.16086410688953 85.468 > 91 92 Rb 0.85609953826460 0.04322007428349 0.16086410688953 85.468 > 91 93 Rb 0.35609953826460 0.45677992571651 0.66086410688953 85.468 > 93 94 Rb 0.85609953826460 0.45677992571651 0.66086410688953 85.468 > 93 95 Rb 0.14390046173540 0.95677992571651 0.83913589311047 85.468 > 95 96 Rb 0.64390046173540 0.95677992571651 0.83913589311047 85.468 > 95 97 I 0.04345741886734 0.87106143195733 0.43761673293979 126.904 > 97 98 I 0.54345741886734 0.87106143195733 0.43761673293979 126.904 > 97 99 I 0.45654258113266 0.37106143195733 0.06238326706021 126.904 > 99 100 I 0.95654258113266 0.37106143195733 0.06238326706021 126.904 > 99 101 I 0.45654258113266 0.12893856804267 0.56238326706021 126.904 > 101 102 I 0.95654258113266 0.12893856804267 0.56238326706021 126.904 > 101 103 I 0.04345741886734 0.62893856804267 0.93761673293979 126.904 > 103 104 I 0.54345741886734 0.62893856804267 0.93761673293979 126.904 > 103 105 I 0.29542339023278 0.82157570906319 0.44988165588513 126.904 > 105 106 I 0.79542339023278 0.82157570906319 0.44988165588513 126.904 > 105 107 I 0.20457660976722 0.32157570906319 0.05011834411487 126.904 > 107 108 I 0.70457660976722 0.32157570906319 0.05011834411487 126.904 > 107 109 I 0.20457660976722 0.17842429093681 0.55011834411487 126.904 > 109 110 I 0.70457660976722 0.17842429093681 0.55011834411487 126.904 > 109 111 I 0.29542339023278 0.67842429093681 0.94988165588513 126.904 > 111 112 I 0.79542339023278 0.67842429093681 0.94988165588513 126.904 > 111 113 I 0.38372558053857 0.56176721899324 0.31240875547775 126.904 > 113 114 I 0.88372558053857 0.56176721899324 0.31240875547775 126.904 > 113 115 I 0.11627441946143 0.06176721899324 0.18759124452224 126.904 > 115 116 I 0.61627441946143 0.06176721899324 0.18759124452224 126.904 > 115 117 I 0.11627441946143 0.43823278100676 0.68759124452224 126.904 > 117 118 I 0.61627441946143 0.43823278100676 0.68759124452224 126.904 > 117 119 I 0.38372558053857 0.93823278100676 0.81240875547776 126.904 > 119 120 I 0.88372558053857 0.93823278100676 0.81240875547776 126.904 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8482087 0.0000000 -0.1095096 0.0000000 3.4122111 0.0000000 -0.1095098 0.0000000 3.4861820 -------------------------- Born effective charges -------------------------- 1 Li 0.9846136 -0.2106211 -0.0747051 0.0623974 1.1754348 0.1544100 0.2597940 0.2025358 1.2506312 2 Li 0.9846136 0.2106211 -0.0747051 -0.0623974 1.1754348 -0.1544100 0.2597940 -0.2025358 1.2506312 3 Li 0.9846136 -0.2106211 -0.0747051 0.0623974 1.1754348 0.1544100 0.2597940 0.2025358 1.2506312 4 Li 0.9846136 0.2106211 -0.0747051 -0.0623974 1.1754348 -0.1544100 0.2597940 -0.2025358 1.2506312 5 Li 1.0878511 0.1927429 0.1009801 0.0074940 1.0812723 0.3865669 -0.0587382 0.1524622 1.2892459 6 Li 1.0878511 -0.1927429 0.1009801 -0.0074940 1.0812723 -0.3865669 -0.0587382 -0.1524622 1.2892459 7 Li 1.0878511 0.1927429 0.1009801 0.0074940 1.0812723 0.3865669 -0.0587382 0.1524622 1.2892459 8 Li 1.0878511 -0.1927429 0.1009801 -0.0074940 1.0812723 -0.3865669 -0.0587382 -0.1524622 1.2892459 9 O -2.9823373 0.1045755 0.0821400 0.6928829 -1.5981630 -0.2701228 0.1724583 -0.2783498 -0.9467067 10 O -2.9823373 -0.1045755 0.0821400 -0.6928829 -1.5981630 0.2701228 0.1724583 0.2783498 -0.9467067 11 O -2.9823373 0.1045755 0.0821400 0.6928829 -1.5981630 -0.2701228 0.1724583 -0.2783498 -0.9467067 12 O -2.9823373 -0.1045755 0.0821400 -0.6928829 -1.5981630 0.2701228 0.1724583 0.2783498 -0.9467067 13 O -1.2093022 0.1694017 -0.1636570 -0.0223036 -1.2723782 0.5300279 0.1839894 0.7066060 -1.9691154 14 O -1.2093022 -0.1694017 -0.1636570 0.0223036 -1.2723782 -0.5300279 0.1839894 -0.7066060 -1.9691154 15 O -1.1665443 -0.1517552 0.0950075 -0.3221279 -2.0630643 -0.6662864 -0.1362839 -0.9215466 -1.6522856 16 O -1.2093022 0.1694017 -0.1636570 -0.0223036 -1.2723782 0.5300279 0.1839894 0.7066060 -1.9691154 17 O -2.1133347 1.2140847 0.2825792 0.7480253 -1.7820895 -0.2358940 -0.0258186 -0.1188938 -1.3528849 18 O -2.1133347 -1.2140847 0.2825792 -0.7480253 -1.7820895 0.2358940 -0.0258186 0.1188938 -1.3528849 19 O -2.1133347 1.2140847 0.2825792 0.7480253 -1.7820895 -0.2358940 -0.0258186 -0.1188938 -1.3528849 20 O -2.1133347 -1.2140847 0.2825792 -0.7480253 -1.7820895 0.2358940 -0.0258186 0.1188938 -1.3528849 21 O -1.5579619 -0.6617348 0.3289279 -0.3490702 -1.6218314 0.2150418 0.5458082 0.4184460 -1.2765009 22 O -1.5579619 0.6617348 0.3289279 0.3490702 -1.6218314 -0.2150418 0.5458082 -0.4184460 -1.2765009 23 O -1.5579619 -0.6617348 0.3289279 -0.3490702 -1.6218314 0.2150418 0.5458082 0.4184460 -1.2765009 24 O -1.5579619 0.6617348 0.3289279 0.3490702 -1.6218314 -0.2150418 0.5458082 -0.4184460 -1.2765009 25 O -0.9568323 -0.0372786 -0.0627698 0.0468594 -1.2157426 0.5680240 -0.1989938 -0.0207909 -3.0386468 26 O -0.9568323 0.0372786 -0.0627698 -0.0468594 -1.2157426 -0.5680240 -0.1989938 0.0207909 -3.0386468 27 O -0.9568323 -0.0372786 -0.0627698 0.0468594 -1.2157426 0.5680240 -0.1989938 -0.0207909 -3.0386468 28 O -0.9568323 0.0372786 -0.0627698 -0.0468594 -1.2157426 -0.5680240 -0.1989938 0.0207909 -3.0386468 29 O -1.6097943 0.5595319 -0.3914133 0.3623807 -1.3805459 0.2711661 -0.2255041 0.2496714 -1.4604336 30 O -1.6097943 -0.5595319 -0.3914133 -0.3623807 -1.3805459 -0.2711661 -0.2255041 -0.2496714 -1.4604336 31 O -1.6097943 0.5595319 -0.3914133 0.3623807 -1.3805459 0.2711661 -0.2255041 0.2496714 -1.4604336 32 O -1.6097943 -0.5595319 -0.3914133 -0.3623807 -1.3805459 -0.2711661 -0.2255041 -0.2496714 -1.4604336 33 O -1.3630937 -0.7019995 0.3736047 -0.4579724 -1.8057626 0.5270773 0.1720887 1.1713435 -2.0559987 34 O -1.3630937 0.7019995 0.3736047 0.4579724 -1.8057626 -0.5270773 0.1720887 -1.1713435 -2.0559987 35 O -1.3630937 -0.7019995 0.3736047 -0.4579724 -1.8057626 0.5270773 0.1720887 1.1713435 -2.0559987 36 O -1.3630937 0.7019995 0.3736047 0.4579724 -1.8057626 -0.5270773 0.1720887 -1.1713435 -2.0559987 37 O -3.5520655 0.5306995 0.3942356 -0.3572601 -1.0175490 -0.0108270 0.1408940 -0.0437342 -1.0107053 38 O -3.5520655 -0.5306995 0.3942356 0.3572601 -1.0175490 0.0108270 0.1408940 0.0437342 -1.0107053 39 O -3.5520655 0.5306995 0.3942356 -0.3572601 -1.0175490 -0.0108270 0.1408940 -0.0437342 -1.0107053 40 O -3.5520655 -0.5306995 0.3942356 0.3572601 -1.0175490 0.0108270 0.1408940 0.0437342 -1.0107053 41 O -1.1665443 0.1517552 0.0950075 0.3221279 -2.0630643 0.6662864 -0.1362839 0.9215466 -1.6522856 42 O -1.1665443 -0.1517552 0.0950075 -0.3221279 -2.0630643 -0.6662864 -0.1362839 -0.9215466 -1.6522856 43 O -1.1665443 0.1517552 0.0950075 0.3221279 -2.0630643 0.6662864 -0.1362839 0.9215466 -1.6522856 44 O -1.2093022 -0.1694017 -0.1636570 0.0223036 -1.2723782 -0.5300279 0.1839894 -0.7066060 -1.9691154 45 Rb 1.3774325 0.0554084 0.0545800 0.0209349 1.2884247 -0.0170700 -0.0282678 0.0812918 1.3226333 46 Rb 1.3774325 -0.0554084 0.0545800 -0.0209349 1.2884247 0.0170700 -0.0282678 -0.0812918 1.3226333 47 Rb 1.3774325 0.0554084 0.0545800 0.0209349 1.2884247 -0.0170700 -0.0282678 0.0812918 1.3226333 48 Rb 1.3774325 -0.0554084 0.0545800 -0.0209349 1.2884247 0.0170700 -0.0282678 -0.0812918 1.3226333 49 I 4.3255257 -1.1449068 -0.0881558 -1.0027710 3.6193318 0.0779309 -0.3711565 0.3462680 3.5575944 50 I 4.3255257 1.1449068 -0.0881558 1.0027710 3.6193318 -0.0779309 -0.3711565 -0.3462680 3.5575944 51 I 4.3255257 -1.1449068 -0.0881558 -1.0027710 3.6193318 0.0779309 -0.3711565 0.3462680 3.5575944 52 I 4.3255257 1.1449068 -0.0881558 1.0027710 3.6193318 -0.0779309 -0.3711565 -0.3462680 3.5575944 53 I 4.8200578 0.3892411 -0.7098542 -0.3221153 2.9781211 0.8169603 -0.1213500 1.0775649 4.0002121 54 I 4.8200578 -0.3892411 -0.7098542 0.3221153 2.9781211 -0.8169603 -0.1213500 -1.0775649 4.0002121 55 I 4.8200578 0.3892411 -0.7098542 -0.3221153 2.9781211 0.8169603 -0.1213500 1.0775649 4.0002121 56 I 4.8200578 -0.3892411 -0.7098542 0.3221153 2.9781211 -0.8169603 -0.1213500 -1.0775649 4.0002121 57 I 3.9157856 -0.8146836 -0.2214999 -0.7283688 3.6145419 -0.1186829 -0.3089194 0.6755497 3.3429611 58 I 3.9157856 0.8146836 -0.2214999 0.7283688 3.6145419 0.1186829 -0.3089194 -0.6755497 3.3429611 59 I 3.9157856 -0.8146836 -0.2214999 -0.7283688 3.6145419 -0.1186829 -0.3089194 0.6755497 3.3429611 60 I 3.9157856 0.8146836 -0.2214999 0.7283688 3.6145419 0.1186829 -0.3089194 -0.6755497 3.3429611 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 311, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.376 ( 0.000 0.000 0.000) 0.000 1.420 ( 0.000 0.000 0.000) 0.000 1.444 ( 0.000 0.000 0.000) 0.000 1.483 ( 0.000 0.000 0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.648 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.065 ( 0.000 0.000 0.000) 0.000 2.111 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.262 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.661 ( 0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.637 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.275 ( 0.000 0.000 0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.400 ( 0.000 0.000 0.000) 0.000 6.403 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 6.850 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.385 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 8.728 ( 0.000 0.000 0.000) 0.000 8.733 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 8.846 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 8.958 ( 0.000 0.000 0.000) 0.000 8.983 ( 0.000 0.000 0.000) 0.000 9.046 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.264 ( 0.000 0.000 0.000) 0.000 9.315 ( 0.000 0.000 0.000) 0.000 9.390 ( 0.000 0.000 0.000) 0.000 9.561 ( 0.000 0.000 0.000) 0.000 9.637 ( 0.000 0.000 0.000) 0.000 9.684 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.806 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 9.987 ( 0.000 0.000 0.000) 0.000 10.131 ( 0.000 0.000 0.000) 0.000 10.171 ( 0.000 0.000 0.000) 0.000 10.197 ( 0.000 0.000 0.000) 0.000 10.212 ( 0.000 0.000 0.000) 0.000 10.345 ( 0.000 0.000 0.000) 0.000 10.454 ( 0.000 0.000 0.000) 0.000 10.527 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 10.685 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.297 ( 0.000 0.000 0.000) 0.000 11.398 ( 0.000 0.000 0.000) 0.000 11.635 ( 0.000 0.000 0.000) 0.000 12.121 ( 0.000 0.000 0.000) 0.000 12.158 ( 0.000 0.000 0.000) 0.000 12.226 ( 0.000 0.000 0.000) 0.000 12.312 ( 0.000 0.000 0.000) 0.000 12.671 ( 0.000 0.000 0.000) 0.000 12.877 ( 0.000 0.000 0.000) 0.000 13.032 ( 0.000 0.000 0.000) 0.000 13.090 ( 0.000 0.000 0.000) 0.000 13.464 ( 0.000 0.000 0.000) 0.000 13.480 ( 0.000 0.000 0.000) 0.000 13.629 ( 0.000 0.000 0.000) 0.000 13.835 ( 0.000 0.000 0.000) 0.000 13.840 ( 0.000 0.000 0.000) 0.000 14.065 ( 0.000 0.000 0.000) 0.000 14.098 ( 0.000 0.000 0.000) 0.000 14.307 ( 0.000 0.000 0.000) 0.000 14.877 ( 0.000 0.000 0.000) 0.000 14.911 ( 0.000 0.000 0.000) 0.000 15.079 ( 0.000 0.000 0.000) 0.000 15.155 ( 0.000 0.000 0.000) 0.000 15.205 ( 0.000 0.000 0.000) 0.000 15.257 ( 0.000 0.000 0.000) 0.000 15.345 ( 0.000 0.000 0.000) 0.000 15.391 ( 0.000 0.000 0.000) 0.000 19.376 ( 0.000 0.000 0.000) 0.000 19.412 ( 0.000 0.000 0.000) 0.000 19.530 ( 0.000 0.000 0.000) 0.000 19.597 ( 0.000 0.000 0.000) 0.000 20.201 ( 0.000 0.000 0.000) 0.000 20.298 ( 0.000 0.000 0.000) 0.000 20.338 ( 0.000 0.000 0.000) 0.000 20.355 ( 0.000 0.000 0.000) 0.000 21.161 ( 0.000 0.000 0.000) 0.000 21.192 ( 0.000 0.000 0.000) 0.000 21.320 ( 0.000 0.000 0.000) 0.000 21.599 ( 0.000 0.000 0.000) 0.000 21.721 ( 0.000 0.000 0.000) 0.000 21.805 ( 0.000 0.000 0.000) 0.000 21.970 ( 0.000 0.000 0.000) 0.000 22.078 ( 0.000 0.000 0.000) 0.000 22.079 ( 0.000 0.000 0.000) 0.000 22.119 ( 0.000 0.000 0.000) 0.000 22.179 ( 0.000 0.000 0.000) 0.000 22.307 ( 0.000 0.000 0.000) 0.000 22.460 ( 0.000 0.000 0.000) 0.000 22.591 ( 0.000 0.000 0.000) 0.000 22.620 ( 0.000 0.000 0.000) 0.000 22.793 ( 0.000 0.000 0.000) 0.000 22.974 ( 0.000 0.000 0.000) 0.000 22.984 ( 0.000 0.000 0.000) 0.000 23.135 ( 0.000 0.000 0.000) 0.000 23.239 ( 0.000 0.000 0.000) 0.000 23.464 ( 0.000 0.000 0.000) 0.000 23.487 ( 0.000 0.000 0.000) 0.000 23.499 ( 0.000 0.000 0.000) 0.000 23.716 ( 0.000 0.000 0.000) 0.000 23.732 ( 0.000 0.000 0.000) 0.000 23.777 ( 0.000 0.000 0.000) 0.000 23.883 ( 0.000 0.000 0.000) 0.000 23.915 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 21.584 0.000 0.886) 21.602 0.401 ( 20.960 0.000 4.692) 21.479 0.726 ( 37.156 0.000 9.556) 38.365 1.248 ( -3.326 0.000 -10.903) 11.399 1.424 ( 3.971 0.000 -9.200) 10.020 1.470 ( -1.097 0.000 11.519) 11.571 1.564 ( 6.427 0.000 1.106) 6.522 1.652 ( 8.765 0.000 5.311) 10.248 1.708 ( 2.870 0.000 6.909) 7.481 1.752 ( 0.816 0.000 -0.396) 0.907 1.817 ( 3.875 0.000 -5.037) 6.355 1.831 ( 3.261 0.000 -3.136) 4.524 1.936 ( 0.576 0.000 1.756) 1.848 1.950 ( 0.548 0.000 3.504) 3.546 2.001 ( 3.069 0.000 -2.497) 3.956 2.024 ( -5.335 0.000 -1.629) 5.579 2.081 ( -1.247 0.000 -2.004) 2.360 2.178 ( 2.543 0.000 0.466) 2.586 2.182 ( 0.554 0.000 4.303) 4.339 2.191 ( 1.376 0.000 -3.274) 3.551 2.214 ( -1.869 0.000 1.945) 2.697 2.248 ( -0.547 0.000 -4.069) 4.105 2.271 ( 2.160 0.000 3.203) 3.864 2.333 ( 0.801 0.000 0.820) 1.146 2.398 ( 10.011 0.000 -8.784) 13.318 2.407 ( 1.377 0.000 -1.735) 2.215 2.525 ( 1.769 0.000 4.066) 4.434 2.552 ( -3.346 0.000 -3.711) 4.996 2.611 ( 3.049 0.000 0.466) 3.085 2.614 ( 2.859 0.000 1.471) 3.215 2.645 ( 0.023 0.000 -3.634) 3.634 2.696 ( 0.209 0.000 2.119) 2.130 2.771 ( -3.497 0.000 -2.627) 4.374 2.804 ( -3.117 0.000 -1.794) 3.596 2.819 ( 0.134 0.000 -0.113) 0.175 2.881 ( 0.687 0.000 -1.909) 2.029 2.947 ( 1.381 0.000 10.266) 10.359 2.956 ( 3.377 0.000 1.640) 3.754 2.995 ( 1.587 0.000 4.574) 4.842 3.169 ( -3.527 0.000 0.330) 3.543 3.286 ( -2.881 0.000 -4.440) 5.293 3.330 ( -5.387 0.000 4.611) 7.091 3.392 ( 0.726 0.000 -3.734) 3.804 3.425 ( -4.083 0.000 -0.378) 4.100 3.530 ( -1.054 0.000 4.082) 4.216 3.566 ( -4.385 0.000 -2.589) 5.092 3.606 ( -3.272 0.000 -2.189) 3.937 3.708 ( -0.811 0.000 4.175) 4.253 3.711 ( -6.337 0.000 2.028) 6.653 3.756 ( 0.181 0.000 2.431) 2.438 3.953 ( -0.099 0.000 -4.324) 4.325 3.958 ( 0.889 0.000 -4.669) 4.752 4.169 ( -5.843 0.000 6.531) 8.763 4.304 ( -6.483 0.000 -2.055) 6.800 4.322 ( -1.384 0.000 2.775) 3.101 4.577 ( -0.798 0.000 -0.437) 0.910 4.694 ( 1.002 0.000 -3.702) 3.835 4.725 ( -7.349 0.000 -1.380) 7.477 4.824 ( -0.173 0.000 0.337) 0.378 4.852 ( 3.511 0.000 -7.052) 7.878 5.017 ( 2.685 0.000 -6.456) 6.992 5.134 ( -5.181 0.000 5.530) 7.578 5.281 ( -1.129 0.000 5.139) 5.262 5.304 ( -11.191 0.000 0.398) 11.198 5.395 ( 2.167 0.000 -0.034) 2.167 5.416 ( 2.866 0.000 4.679) 5.487 5.503 ( -2.369 0.000 -0.979) 2.563 5.708 ( -3.212 0.000 2.804) 4.263 5.769 ( 6.888 0.000 -0.407) 6.900 5.771 ( -1.732 0.000 -1.734) 2.451 5.967 ( 0.503 0.000 1.451) 1.536 5.979 ( 4.915 0.000 -2.924) 5.719 6.031 ( 8.358 0.000 -2.695) 8.782 6.143 ( -1.301 0.000 -1.822) 2.238 6.206 ( -5.861 0.000 -1.751) 6.117 6.225 ( -7.903 0.000 -0.976) 7.963 6.408 ( 0.171 0.000 -1.484) 1.494 6.482 ( 5.668 0.000 7.725) 9.581 6.522 ( -1.193 0.000 -2.754) 3.001 6.567 ( 1.619 0.000 0.901) 1.852 6.854 ( 1.184 0.000 0.783) 1.420 7.066 ( -3.903 0.000 5.047) 6.380 7.290 ( 7.580 0.000 -15.468) 17.225 7.367 ( -2.752 0.000 1.911) 3.350 8.471 ( 0.846 0.000 0.458) 0.961 8.534 ( 3.979 0.000 -0.162) 3.982 8.704 ( -1.796 0.000 -1.458) 2.313 8.724 ( -1.156 0.000 -0.076) 1.159 8.781 ( -0.275 0.000 -7.212) 7.217 8.846 ( 1.008 0.000 -0.368) 1.073 8.918 ( -0.935 0.000 4.620) 4.714 8.945 ( 2.228 0.000 -8.982) 9.255 9.086 ( 1.264 0.000 -0.403) 1.326 9.124 ( 6.987 0.000 1.623) 7.173 9.237 ( 0.410 0.000 -0.026) 0.410 9.268 ( 0.032 0.000 0.474) 0.475 9.311 ( -0.077 0.000 -0.191) 0.206 9.497 ( 2.886 0.000 7.547) 8.080 9.580 ( -1.230 0.000 0.595) 1.366 9.643 ( -3.128 0.000 0.556) 3.177 9.665 ( -1.147 0.000 7.753) 7.838 9.738 ( 1.153 0.000 0.357) 1.207 9.879 ( 0.508 0.000 -1.787) 1.858 9.975 ( 1.846 0.000 -8.600) 8.796 9.975 ( -2.437 0.000 0.906) 2.600 10.067 ( -3.253 0.000 -3.930) 5.102 10.124 ( -7.764 0.000 7.343) 10.687 10.167 ( -1.867 0.000 -1.142) 2.188 10.240 ( 1.867 0.000 0.151) 1.873 10.286 ( -5.333 0.000 -1.829) 5.637 10.523 ( 4.653 0.000 2.070) 5.093 10.590 ( 5.176 0.000 -1.871) 5.504 10.662 ( 0.562 0.000 -7.872) 7.892 10.710 ( 4.050 0.000 -1.729) 4.404 10.927 ( -0.047 0.000 0.061) 0.078 10.939 ( -0.032 0.000 0.074) 0.080 11.198 ( -1.591 0.000 6.401) 6.596 11.331 ( 4.498 0.000 0.614) 4.540 11.364 ( -2.907 0.000 -2.168) 3.627 11.610 ( -1.857 0.000 -3.341) 3.823 12.095 ( -1.547 0.000 -1.382) 2.075 12.152 ( -0.366 0.000 -0.635) 0.733 12.220 ( -1.724 0.000 -1.738) 2.448 12.375 ( 4.933 0.000 3.097) 5.824 12.706 ( 2.255 0.000 2.338) 3.248 13.010 ( -2.495 0.000 1.052) 2.708 13.094 ( 1.554 0.000 -12.391) 12.488 13.097 ( 0.793 0.000 -0.611) 1.001 13.473 ( -0.446 0.000 -0.783) 0.901 13.475 ( 0.936 0.000 0.080) 0.940 13.656 ( -0.806 0.000 4.421) 4.494 13.803 ( -2.796 0.000 -2.531) 3.771 13.840 ( -0.376 0.000 2.180) 2.212 14.068 ( 0.278 0.000 0.641) 0.698 14.134 ( -7.690 0.000 7.899) 11.024 14.334 ( 1.078 0.000 4.134) 4.272 14.909 ( 2.016 0.000 1.197) 2.344 15.084 ( 0.845 0.000 -0.902) 1.236 15.122 ( -4.338 0.000 5.657) 7.129 15.184 ( 1.766 0.000 -2.177) 2.803 15.225 ( -2.765 0.000 -0.945) 2.922 15.319 ( -1.999 0.000 -3.172) 3.749 15.351 ( -3.733 0.000 -1.007) 3.866 15.422 ( 1.258 0.000 5.944) 6.075 19.482 ( 11.682 0.000 -0.812) 11.710 19.487 ( 8.261 0.000 0.596) 8.283 19.645 ( 11.090 0.000 1.391) 11.177 20.032 ( 16.077 0.000 -36.652) 40.023 20.200 ( -0.183 0.000 0.138) 0.230 20.324 ( -0.706 0.000 0.144) 0.720 20.380 ( 1.157 0.000 2.576) 2.824 20.567 ( -7.780 0.000 11.646) 14.006 21.186 ( -0.503 0.000 -0.305) 0.588 21.315 ( -0.461 0.000 -0.141) 0.482 21.403 ( -2.160 0.000 0.575) 2.236 21.715 ( -1.029 0.000 0.995) 1.432 21.744 ( -5.444 0.000 -1.891) 5.763 21.889 ( -6.045 0.000 18.255) 19.230 21.966 ( -2.348 0.000 1.666) 2.879 22.061 ( 1.588 0.000 -0.027) 1.589 22.112 ( 2.736 0.000 1.831) 3.292 22.193 ( 5.888 0.000 -1.034) 5.978 22.325 ( 1.257 0.000 0.896) 1.544 22.433 ( -1.640 0.000 -2.260) 2.793 22.582 ( -1.010 0.000 1.197) 1.566 22.612 ( 3.521 0.000 -5.850) 6.828 22.797 ( 0.476 0.000 -0.763) 0.899 22.827 ( 2.766 0.000 -11.427) 11.757 23.027 ( 2.729 0.000 4.303) 5.095 23.121 ( -1.323 0.000 0.259) 1.348 23.252 ( 1.622 0.000 -1.328) 2.096 23.398 ( 5.478 0.000 -15.725) 16.652 23.476 ( 0.732 0.000 1.364) 1.548 23.507 ( 2.312 0.000 -1.169) 2.591 23.569 ( -4.686 0.000 12.058) 12.936 23.713 ( -0.530 0.000 0.675) 0.858 23.785 ( 0.898 0.000 -0.255) 0.934 23.860 ( -2.453 0.000 0.413) 2.487 23.920 ( 0.261 0.000 0.638) 0.690 24.019 ( -0.566 0.000 -3.908) 3.949 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 18.990 0.000 0.099) 18.990 0.785 ( 19.865 0.000 3.105) 20.106 1.172 ( 1.212 0.000 -6.561) 6.672 1.324 ( 16.361 0.000 -2.207) 16.510 1.509 ( 15.934 0.000 4.875) 16.663 1.544 ( 3.374 0.000 9.886) 10.446 1.663 ( 0.816 0.000 1.201) 1.452 1.722 ( 0.068 0.000 -3.937) 3.937 1.761 ( 0.801 0.000 -4.080) 4.157 1.792 ( 0.324 0.000 6.535) 6.543 1.887 ( 3.050 0.000 0.314) 3.066 1.911 ( -2.356 0.000 -0.144) 2.360 1.924 ( 1.411 0.000 3.907) 4.154 1.964 ( 3.850 0.000 -2.812) 4.768 1.970 ( 3.275 0.000 2.659) 4.219 2.011 ( -2.618 0.000 -5.357) 5.963 2.071 ( 0.128 0.000 3.757) 3.759 2.144 ( -2.119 0.000 0.241) 2.133 2.157 ( 5.602 0.000 -0.445) 5.619 2.254 ( 4.383 0.000 -0.009) 4.383 2.280 ( 5.291 0.000 1.808) 5.591 2.322 ( 4.427 0.000 0.444) 4.449 2.341 ( 0.769 0.000 1.631) 1.803 2.369 ( 4.122 0.000 -0.168) 4.125 2.426 ( 3.386 0.000 -1.607) 3.748 2.482 ( -1.565 0.000 -0.225) 1.581 2.493 ( 1.602 0.000 -3.835) 4.156 2.601 ( -1.219 0.000 -4.112) 4.289 2.621 ( 8.654 0.000 -1.407) 8.768 2.662 ( -4.257 0.000 -2.811) 5.101 2.680 ( 0.240 0.000 0.431) 0.493 2.713 ( 2.895 0.000 2.980) 4.154 2.727 ( -1.809 0.000 -0.843) 1.996 2.733 ( 3.854 0.000 3.954) 5.522 2.836 ( -2.042 0.000 -4.948) 5.353 2.859 ( 4.431 0.000 -0.783) 4.500 3.039 ( -0.725 0.000 4.749) 4.804 3.048 ( 3.993 0.000 2.711) 4.826 3.062 ( 2.651 0.000 3.039) 4.033 3.088 ( -1.143 0.000 2.947) 3.161 3.238 ( -0.636 0.000 -4.045) 4.095 3.247 ( -4.984 0.000 1.227) 5.133 3.284 ( -9.428 0.000 -2.051) 9.649 3.393 ( -0.259 0.000 2.481) 2.495 3.436 ( -5.951 0.000 -3.151) 6.734 3.517 ( -5.315 0.000 -2.840) 6.026 3.536 ( -2.450 0.000 -0.047) 2.450 3.593 ( -7.408 0.000 2.152) 7.715 3.725 ( -1.356 0.000 6.076) 6.225 3.756 ( -1.935 0.000 1.004) 2.180 3.884 ( -4.428 0.000 -5.308) 6.912 3.907 ( -4.078 0.000 -5.173) 6.587 4.046 ( -7.554 0.000 -0.441) 7.566 4.258 ( 1.988 0.000 0.424) 2.032 4.312 ( -2.200 0.000 2.665) 3.456 4.525 ( -2.631 0.000 -2.259) 3.468 4.621 ( -3.756 0.000 1.206) 3.945 4.683 ( -1.755 0.000 1.105) 2.074 4.825 ( -0.470 0.000 1.980) 2.035 4.929 ( 9.140 0.000 -6.003) 10.935 4.993 ( -1.467 0.000 -8.070) 8.202 5.073 ( -5.024 0.000 4.489) 6.737 5.088 ( -8.468 0.000 -2.819) 8.925 5.304 ( 0.789 0.000 4.318) 4.389 5.425 ( -6.431 0.000 7.174) 9.635 5.437 ( 2.330 0.000 -2.752) 3.606 5.521 ( 4.099 0.000 -0.772) 4.171 5.642 ( -5.436 0.000 1.099) 5.546 5.751 ( 0.701 0.000 -2.068) 2.184 5.775 ( -2.542 0.000 -3.558) 4.373 5.976 ( -9.538 0.000 3.249) 10.076 6.039 ( 3.389 0.000 -2.992) 4.521 6.074 ( -0.131 0.000 2.773) 2.776 6.089 ( -6.195 0.000 0.626) 6.227 6.139 ( 0.651 0.000 -2.653) 2.731 6.186 ( 9.927 0.000 -2.992) 10.368 6.382 ( -0.426 0.000 -3.031) 3.061 6.467 ( -3.063 0.000 -0.169) 3.068 6.578 ( -1.886 0.000 2.061) 2.793 6.642 ( 5.209 0.000 5.811) 7.804 6.932 ( 8.145 0.000 -2.636) 8.561 7.059 ( 0.206 0.000 5.761) 5.765 7.308 ( 3.604 0.000 -10.969) 11.546 7.313 ( -5.842 0.000 4.837) 7.585 8.503 ( 2.687 0.000 -0.991) 2.864 8.596 ( 2.238 0.000 0.878) 2.404 8.663 ( -1.336 0.000 -1.307) 1.869 8.706 ( -0.710 0.000 0.619) 0.942 8.749 ( 0.582 0.000 -3.333) 3.383 8.890 ( 2.931 0.000 1.790) 3.434 8.926 ( -1.210 0.000 4.007) 4.186 8.934 ( 1.968 0.000 -4.409) 4.828 9.092 ( 0.385 0.000 -3.103) 3.126 9.245 ( -1.336 0.000 -2.699) 3.012 9.251 ( 0.864 0.000 1.974) 2.155 9.270 ( 6.619 0.000 2.875) 7.216 9.337 ( 2.339 0.000 1.997) 3.075 9.509 ( -3.965 0.000 2.541) 4.709 9.596 ( -2.428 0.000 0.310) 2.448 9.618 ( -0.506 0.000 -0.264) 0.571 9.683 ( -0.312 0.000 9.487) 9.492 9.751 ( 0.007 0.000 1.528) 1.528 9.864 ( -0.386 0.000 -3.934) 3.953 9.909 ( -4.703 0.000 0.762) 4.764 9.911 ( -2.982 0.000 -1.866) 3.517 10.030 ( 0.430 0.000 -2.059) 2.104 10.092 ( 0.374 0.000 3.479) 3.499 10.137 ( -3.899 0.000 -3.561) 5.281 10.218 ( 2.388 0.000 0.608) 2.464 10.248 ( -0.455 0.000 -1.478) 1.547 10.581 ( 1.180 0.000 -0.447) 1.262 10.608 ( 0.698 0.000 -2.902) 2.985 10.669 ( 3.422 0.000 -6.569) 7.407 10.808 ( 4.613 0.000 1.137) 4.751 10.928 ( -0.218 0.000 1.172) 1.192 10.932 ( 1.246 0.000 0.185) 1.260 11.206 ( -1.169 0.000 5.242) 5.371 11.284 ( -3.713 0.000 -2.681) 4.580 11.453 ( 6.679 0.000 3.200) 7.406 11.519 ( -5.234 0.000 -6.335) 8.217 12.066 ( -0.887 0.000 -0.907) 1.269 12.137 ( -0.707 0.000 -0.951) 1.185 12.170 ( -2.160 0.000 -2.430) 3.252 12.489 ( 5.042 0.000 2.965) 5.849 12.752 ( 1.136 0.000 1.773) 2.106 12.975 ( -2.224 0.000 1.777) 2.847 13.034 ( -1.302 0.000 -5.934) 6.076 13.106 ( 0.674 0.000 -0.486) 0.831 13.459 ( -0.385 0.000 -0.838) 0.922 13.491 ( 0.676 0.000 0.367) 0.769 13.684 ( 1.586 0.000 2.082) 2.617 13.730 ( -3.047 0.000 -2.946) 4.239 13.847 ( -0.594 0.000 2.705) 2.769 14.031 ( -7.304 0.000 2.070) 7.592 14.084 ( 0.599 0.000 1.613) 1.721 14.379 ( 0.576 0.000 4.349) 4.387 14.930 ( -0.319 0.000 0.836) 0.895 15.056 ( -3.851 0.000 0.064) 3.852 15.094 ( 1.075 0.000 -1.271) 1.665 15.166 ( -3.313 0.000 -0.186) 3.318 15.235 ( -3.694 0.000 -5.523) 6.645 15.267 ( 6.438 0.000 1.069) 6.526 15.276 ( -3.588 0.000 -0.960) 3.714 15.470 ( 0.214 0.000 3.853) 3.859 19.678 ( 11.725 0.000 0.659) 11.743 19.727 ( 15.521 0.000 -1.216) 15.569 19.861 ( 10.372 0.000 1.328) 10.457 20.091 ( 8.727 0.000 -13.484) 16.062 20.199 ( 0.465 0.000 -0.543) 0.716 20.330 ( 1.295 0.000 1.083) 1.688 20.423 ( 1.579 0.000 3.143) 3.518 20.483 ( -7.323 0.000 3.671) 8.191 21.180 ( 0.564 0.000 -0.641) 0.853 21.309 ( -0.032 0.000 0.084) 0.090 21.352 ( -4.196 0.000 1.242) 4.376 21.617 ( -7.047 0.000 -1.907) 7.300 21.702 ( -1.159 0.000 1.056) 1.568 21.912 ( -0.743 0.000 6.958) 6.997 21.938 ( -0.545 0.000 -0.239) 0.595 22.085 ( -0.925 0.000 0.759) 1.196 22.172 ( 2.346 0.000 1.051) 2.570 22.297 ( 5.735 0.000 0.852) 5.798 22.363 ( 3.906 0.000 -0.515) 3.940 22.397 ( -0.689 0.000 -1.111) 1.307 22.577 ( -0.666 0.000 0.561) 0.871 22.632 ( 1.720 0.000 -2.854) 3.332 22.790 ( -1.439 0.000 0.280) 1.466 22.802 ( 0.608 0.000 -5.167) 5.203 23.109 ( 0.104 0.000 0.936) 0.941 23.114 ( 2.832 0.000 6.225) 6.839 23.264 ( 0.895 0.000 -2.352) 2.517 23.383 ( 1.910 0.000 -9.334) 9.527 23.500 ( 0.488 0.000 2.151) 2.206 23.532 ( 1.025 0.000 -1.835) 2.102 23.572 ( -0.337 0.000 2.941) 2.960 23.709 ( -0.010 0.000 0.175) 0.175 23.804 ( 1.696 0.000 -0.818) 1.883 23.817 ( -2.498 0.000 0.586) 2.566 23.934 ( 0.530 0.000 1.563) 1.651 23.970 ( -2.903 0.000 -1.444) 3.243 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 11.227 0.000 -0.541) 11.240 1.094 ( 12.415 0.000 -5.595) 13.618 1.210 ( 4.064 0.000 8.447) 9.374 1.343 ( -3.164 0.000 -1.103) 3.351 1.538 ( -10.686 0.000 -4.664) 11.659 1.627 ( 2.033 0.000 5.986) 6.322 1.698 ( -1.833 0.000 -2.008) 2.719 1.717 ( 0.842 0.000 -2.437) 2.578 1.764 ( 2.111 0.000 -2.062) 2.951 1.844 ( -5.658 0.000 2.803) 6.314 1.920 ( 2.005 0.000 0.222) 2.017 1.932 ( 1.225 0.000 3.146) 3.376 1.950 ( 1.285 0.000 -2.598) 2.899 1.989 ( -1.577 0.000 -3.696) 4.018 2.054 ( 12.334 0.000 7.067) 14.215 2.114 ( 11.976 0.000 3.101) 12.371 2.116 ( 2.386 0.000 2.913) 3.766 2.176 ( 2.575 0.000 0.316) 2.594 2.265 ( 3.305 0.000 0.940) 3.436 2.305 ( 1.664 0.000 -1.074) 1.981 2.352 ( 1.996 0.000 -0.791) 2.147 2.381 ( 1.539 0.000 2.667) 3.079 2.395 ( 0.953 0.000 0.284) 0.995 2.409 ( 4.371 0.000 0.493) 4.398 2.464 ( -1.925 0.000 -0.635) 2.027 2.484 ( 2.968 0.000 0.927) 3.109 2.494 ( -7.852 0.000 -4.320) 8.962 2.537 ( 1.004 0.000 -2.455) 2.653 2.561 ( 3.754 0.000 1.091) 3.909 2.587 ( -6.257 0.000 -3.009) 6.943 2.659 ( -2.942 0.000 1.067) 3.129 2.741 ( -4.170 0.000 -2.402) 4.812 2.808 ( 2.128 0.000 1.619) 2.673 2.826 ( 3.709 0.000 -0.657) 3.766 2.827 ( 4.618 0.000 -0.424) 4.638 2.969 ( -1.073 0.000 -0.018) 1.074 2.971 ( 7.225 0.000 -3.221) 7.911 3.033 ( -4.930 0.000 5.068) 7.071 3.097 ( -4.608 0.000 -0.946) 4.704 3.163 ( -1.850 0.000 2.516) 3.123 3.167 ( 4.894 0.000 0.431) 4.913 3.208 ( -0.505 0.000 -1.207) 1.308 3.293 ( 5.626 0.000 -2.676) 6.229 3.317 ( -1.609 0.000 -0.865) 1.827 3.364 ( -4.978 0.000 0.655) 5.021 3.431 ( -1.727 0.000 1.093) 2.044 3.464 ( -5.446 0.000 -0.295) 5.454 3.539 ( 0.312 0.000 3.243) 3.258 3.690 ( -4.871 0.000 -3.594) 6.054 3.729 ( -0.166 0.000 0.644) 0.665 3.770 ( -3.481 0.000 -1.265) 3.703 3.777 ( -6.425 0.000 0.083) 6.426 3.965 ( -1.882 0.000 -0.197) 1.892 4.280 ( -1.560 0.000 -0.079) 1.562 4.342 ( 5.736 0.000 -0.020) 5.736 4.514 ( 0.647 0.000 2.516) 2.598 4.577 ( -1.366 0.000 -1.950) 2.381 4.615 ( -5.949 0.000 0.611) 5.980 4.831 ( -0.211 0.000 1.470) 1.485 4.902 ( -1.772 0.000 -2.934) 3.428 4.988 ( -2.182 0.000 2.322) 3.187 5.008 ( -0.510 0.000 -2.670) 2.718 5.113 ( 10.824 0.000 -5.306) 12.055 5.308 ( -10.812 0.000 6.052) 12.390 5.360 ( 2.392 0.000 1.678) 2.922 5.472 ( 2.139 0.000 -1.873) 2.843 5.558 ( -3.488 0.000 -0.438) 3.516 5.567 ( 3.126 0.000 -0.720) 3.208 5.682 ( -7.251 0.000 -0.038) 7.251 5.749 ( 0.042 0.000 -0.802) 0.803 5.870 ( 0.159 0.000 -0.796) 0.811 6.010 ( -2.790 0.000 1.292) 3.075 6.020 ( -5.114 0.000 1.416) 5.307 6.064 ( 0.933 0.000 -1.494) 1.761 6.209 ( 3.697 0.000 0.194) 3.702 6.291 ( 2.947 0.000 -1.053) 3.130 6.385 ( 2.575 0.000 -2.342) 3.481 6.424 ( -1.619 0.000 0.202) 1.632 6.543 ( -2.708 0.000 1.750) 3.224 6.713 ( 0.656 0.000 2.065) 2.167 7.068 ( 9.135 0.000 -5.451) 10.637 7.147 ( 4.072 0.000 6.252) 7.461 7.228 ( -7.516 0.000 6.187) 9.736 7.267 ( -1.148 0.000 -7.925) 8.008 8.538 ( 1.615 0.000 -0.899) 1.849 8.615 ( -0.222 0.000 0.621) 0.660 8.650 ( 0.203 0.000 -0.457) 0.500 8.703 ( -0.321 0.000 0.675) 0.747 8.749 ( 0.743 0.000 -1.435) 1.616 8.902 ( -1.298 0.000 1.451) 1.947 8.971 ( 3.663 0.000 0.084) 3.664 8.978 ( 2.888 0.000 1.799) 3.403 9.051 ( -2.668 0.000 -2.987) 4.005 9.191 ( -2.099 0.000 -1.521) 2.592 9.300 ( 2.664 0.000 2.209) 3.461 9.378 ( 3.859 0.000 -1.563) 4.164 9.387 ( 0.815 0.000 3.549) 3.642 9.443 ( -3.773 0.000 -0.594) 3.820 9.544 ( -3.805 0.000 0.368) 3.822 9.567 ( -0.850 0.000 -0.047) 0.851 9.764 ( 1.669 0.000 6.646) 6.853 9.773 ( 1.075 0.000 2.831) 3.029 9.821 ( -0.754 0.000 -5.507) 5.558 9.843 ( -2.670 0.000 -1.561) 3.092 9.879 ( -0.316 0.000 -0.604) 0.682 10.034 ( 0.481 0.000 -0.419) 0.638 10.046 ( -2.796 0.000 -1.614) 3.228 10.148 ( 2.209 0.000 4.476) 4.991 10.211 ( -1.678 0.000 -3.559) 3.935 10.306 ( 4.370 0.000 1.266) 4.550 10.574 ( -0.702 0.000 -1.485) 1.642 10.619 ( 1.118 0.000 0.516) 1.232 10.661 ( 0.223 0.000 -4.173) 4.179 10.784 ( -3.355 0.000 -0.373) 3.375 10.934 ( 0.045 0.000 0.752) 0.753 11.073 ( 9.197 0.000 4.078) 10.060 11.222 ( -0.010 0.000 2.064) 2.064 11.227 ( -1.275 0.000 -0.167) 1.286 11.353 ( -7.839 0.000 -6.909) 10.449 11.564 ( 3.275 0.000 1.520) 3.610 12.052 ( -0.282 0.000 -0.300) 0.411 12.120 ( -0.582 0.000 -0.422) 0.719 12.126 ( -1.171 0.000 -1.161) 1.649 12.567 ( 2.010 0.000 1.146) 2.314 12.769 ( 0.118 0.000 0.589) 0.601 12.959 ( -0.713 0.000 1.035) 1.257 12.987 ( -0.723 0.000 -2.045) 2.169 13.114 ( 0.333 0.000 -0.135) 0.359 13.452 ( -0.071 0.000 -0.297) 0.305 13.501 ( 0.196 0.000 0.258) 0.324 13.675 ( -1.335 0.000 -1.331) 1.885 13.729 ( 1.914 0.000 0.696) 2.037 13.857 ( 0.171 0.000 2.147) 2.154 13.926 ( -4.513 0.000 -0.640) 4.558 14.103 ( 0.393 0.000 0.916) 0.997 14.405 ( 0.084 0.000 1.817) 1.819 14.923 ( -0.483 0.000 0.248) 0.543 15.008 ( -1.442 0.000 -0.164) 1.452 15.095 ( -0.449 0.000 -1.379) 1.450 15.119 ( -1.598 0.000 1.567) 2.238 15.161 ( -0.806 0.000 -3.558) 3.648 15.225 ( -1.453 0.000 -0.358) 1.497 15.377 ( 4.561 0.000 0.419) 4.581 15.473 ( -1.638 0.000 1.554) 2.257 19.850 ( 6.126 0.000 0.399) 6.139 19.943 ( 7.912 0.000 -0.686) 7.941 19.972 ( 1.969 0.000 0.058) 1.969 20.136 ( 1.508 0.000 -2.053) 2.547 20.229 ( 4.774 0.000 -3.318) 5.814 20.371 ( -6.902 0.000 2.359) 7.294 20.377 ( 2.205 0.000 0.936) 2.396 20.465 ( 1.006 0.000 1.503) 1.809 21.204 ( 2.548 0.000 -0.866) 2.691 21.282 ( -4.240 0.000 1.157) 4.395 21.319 ( 0.878 0.000 0.378) 0.956 21.500 ( -4.164 0.000 -1.140) 4.317 21.692 ( -0.480 0.000 0.420) 0.638 21.941 ( 0.349 0.000 2.154) 2.182 21.954 ( 2.201 0.000 0.013) 2.202 22.034 ( -3.777 0.000 -0.357) 3.793 22.195 ( 0.257 0.000 -0.182) 0.315 22.390 ( 3.299 0.000 2.549) 4.169 22.398 ( 0.576 0.000 0.268) 0.635 22.442 ( 3.474 0.000 -1.462) 3.769 22.562 ( -0.150 0.000 -0.856) 0.869 22.636 ( 0.413 0.000 -1.184) 1.254 22.747 ( -3.061 0.000 0.611) 3.121 22.785 ( 0.040 0.000 -1.591) 1.592 23.142 ( 1.852 0.000 1.700) 2.514 23.188 ( 1.208 0.000 4.142) 4.315 23.250 ( -0.609 0.000 -2.137) 2.222 23.352 ( 0.234 0.000 -4.728) 4.734 23.516 ( 0.091 0.000 0.996) 1.001 23.520 ( -0.634 0.000 -0.910) 1.109 23.589 ( 0.585 0.000 0.484) 0.759 23.717 ( 0.648 0.000 -0.322) 0.724 23.787 ( -1.125 0.000 0.483) 1.224 23.835 ( 2.336 0.000 -0.921) 2.511 23.909 ( -3.130 0.000 -0.002) 3.130 23.952 ( 0.372 0.000 0.858) 0.935 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 0.000 17.609 0.000) 17.609 0.365 ( 0.000 20.055 0.000) 20.055 0.579 ( 0.000 31.076 0.000) 31.076 1.266 ( 0.000 -12.770 0.000) 12.770 1.369 ( 0.000 -9.975 0.000) 9.975 1.411 ( 0.000 -0.533 0.000) 0.533 1.475 ( 0.000 -0.045 0.000) 0.045 1.582 ( 0.000 -2.765 0.000) 2.765 1.598 ( 0.000 8.706 0.000) 8.706 1.745 ( 0.000 2.687 0.000) 2.687 1.750 ( 0.000 -6.090 0.000) 6.090 1.808 ( 0.000 -0.738 0.000) 0.738 1.944 ( 0.000 1.003 0.000) 1.003 1.950 ( 0.000 -0.424 0.000) 0.424 2.012 ( 0.000 -8.451 0.000) 8.451 2.025 ( 0.000 5.633 0.000) 5.633 2.054 ( 0.000 -4.124 0.000) 4.124 2.091 ( 0.000 -1.485 0.000) 1.485 2.139 ( 0.000 -1.299 0.000) 1.299 2.179 ( 0.000 -0.495 0.000) 0.495 2.213 ( 0.000 2.644 0.000) 2.644 2.283 ( 0.000 0.633 0.000) 0.633 2.300 ( 0.000 4.342 0.000) 4.342 2.346 ( 0.000 2.167 0.000) 2.167 2.382 ( 0.000 2.938 0.000) 2.938 2.415 ( 0.000 -6.198 0.000) 6.198 2.496 ( 0.000 -2.515 0.000) 2.515 2.519 ( 0.000 2.697 0.000) 2.697 2.528 ( 0.000 -6.259 0.000) 6.259 2.650 ( 0.000 1.417 0.000) 1.417 2.713 ( 0.000 -1.093 0.000) 1.093 2.724 ( 0.000 -0.316 0.000) 0.316 2.795 ( 0.000 -2.508 0.000) 2.508 2.825 ( 0.000 1.769 0.000) 1.769 2.827 ( 0.000 4.424 0.000) 4.424 2.877 ( 0.000 1.793 0.000) 1.793 2.922 ( 0.000 5.245 0.000) 5.245 2.948 ( 0.000 -2.782 0.000) 2.782 3.074 ( 0.000 9.130 0.000) 9.130 3.200 ( 0.000 1.837 0.000) 1.837 3.364 ( 0.000 -1.379 0.000) 1.379 3.376 ( 0.000 0.817 0.000) 0.817 3.421 ( 0.000 3.167 0.000) 3.167 3.451 ( 0.000 -1.545 0.000) 1.545 3.495 ( 0.000 1.224 0.000) 1.224 3.582 ( 0.000 -5.019 0.000) 5.019 3.627 ( 0.000 -1.918 0.000) 1.918 3.711 ( 0.000 -2.246 0.000) 2.246 3.711 ( 0.000 1.680 0.000) 1.680 3.826 ( 0.000 -1.614 0.000) 1.614 3.955 ( 0.000 -0.293 0.000) 0.293 3.983 ( 0.000 0.866 0.000) 0.866 4.153 ( 0.000 1.839 0.000) 1.839 4.323 ( 0.000 -1.617 0.000) 1.617 4.436 ( 0.000 4.537 0.000) 4.537 4.569 ( 0.000 -0.570 0.000) 0.570 4.626 ( 0.000 -1.173 0.000) 1.173 4.769 ( 0.000 -3.732 0.000) 3.732 4.857 ( 0.000 2.803 0.000) 2.803 4.867 ( 0.000 -0.755 0.000) 0.755 5.039 ( 0.000 2.859 0.000) 2.859 5.179 ( 0.000 -2.922 0.000) 2.922 5.225 ( 0.000 -2.903 0.000) 2.903 5.290 ( 0.000 -0.093 0.000) 0.093 5.295 ( 0.000 -3.199 0.000) 3.199 5.508 ( 0.000 -3.956 0.000) 3.956 5.570 ( 0.000 1.466 0.000) 1.466 5.580 ( 0.000 2.750 0.000) 2.750 5.696 ( 0.000 -3.469 0.000) 3.469 5.766 ( 0.000 -1.751 0.000) 1.751 5.923 ( 0.000 -4.726 0.000) 4.726 5.986 ( 0.000 -7.842 0.000) 7.842 5.992 ( 0.000 2.938 0.000) 2.938 6.199 ( 0.000 3.524 0.000) 3.524 6.218 ( 0.000 -6.266 0.000) 6.266 6.308 ( 0.000 3.709 0.000) 3.709 6.364 ( 0.000 -1.597 0.000) 1.597 6.459 ( 0.000 2.411 0.000) 2.411 6.499 ( 0.000 6.560 0.000) 6.560 6.650 ( 0.000 8.285 0.000) 8.285 6.861 ( 0.000 -3.825 0.000) 3.825 7.129 ( 0.000 -5.119 0.000) 5.119 7.171 ( 0.000 7.037 0.000) 7.037 7.393 ( 0.000 0.394 0.000) 0.394 8.466 ( 0.000 -0.593 0.000) 0.593 8.490 ( 0.000 -1.431 0.000) 1.431 8.716 ( 0.000 -0.690 0.000) 0.690 8.728 ( 0.000 -0.701 0.000) 0.701 8.747 ( 0.000 1.120 0.000) 1.120 8.836 ( 0.000 -1.158 0.000) 1.158 8.973 ( 0.000 1.458 0.000) 1.458 9.008 ( 0.000 1.976 0.000) 1.976 9.054 ( 0.000 1.272 0.000) 1.272 9.117 ( 0.000 -1.616 0.000) 1.616 9.218 ( 0.000 -3.691 0.000) 3.691 9.236 ( 0.000 -0.670 0.000) 0.670 9.330 ( 0.000 1.843 0.000) 1.843 9.419 ( 0.000 1.253 0.000) 1.253 9.576 ( 0.000 2.227 0.000) 2.227 9.639 ( 0.000 0.128 0.000) 0.128 9.693 ( 0.000 -1.891 0.000) 1.891 9.765 ( 0.000 -3.072 0.000) 3.072 9.819 ( 0.000 1.463 0.000) 1.463 9.895 ( 0.000 1.361 0.000) 1.361 10.113 ( 0.000 -1.761 0.000) 1.761 10.130 ( 0.000 -3.042 0.000) 3.042 10.139 ( 0.000 -1.451 0.000) 1.451 10.176 ( 0.000 -1.876 0.000) 1.876 10.277 ( 0.000 4.782 0.000) 4.782 10.366 ( 0.000 1.783 0.000) 1.783 10.544 ( 0.000 1.678 0.000) 1.678 10.656 ( 0.000 -1.755 0.000) 1.755 10.691 ( 0.000 -0.018 0.000) 0.018 10.728 ( 0.000 -1.571 0.000) 1.571 10.945 ( 0.000 1.709 0.000) 1.709 10.950 ( 0.000 1.461 0.000) 1.461 11.178 ( 0.000 -0.011 0.000) 0.011 11.266 ( 0.000 -2.666 0.000) 2.666 11.433 ( 0.000 3.148 0.000) 3.148 11.620 ( 0.000 -2.853 0.000) 2.853 12.184 ( 0.000 2.432 0.000) 2.432 12.233 ( 0.000 0.707 0.000) 0.707 12.299 ( 0.000 0.256 0.000) 0.256 12.309 ( 0.000 -0.401 0.000) 0.401 12.689 ( 0.000 1.892 0.000) 1.892 12.856 ( 0.000 -2.199 0.000) 2.199 13.041 ( 0.000 0.545 0.000) 0.545 13.086 ( 0.000 -0.428 0.000) 0.428 13.491 ( 0.000 2.727 0.000) 2.727 13.624 ( 0.000 -0.628 0.000) 0.628 13.835 ( 0.000 -0.067 0.000) 0.067 13.839 ( 0.000 -0.064 0.000) 0.064 14.001 ( 0.000 0.088 0.000) 0.088 14.077 ( 0.000 -2.034 0.000) 2.034 14.278 ( 0.000 0.876 0.000) 0.876 14.310 ( 0.000 0.211 0.000) 0.211 14.880 ( 0.000 0.263 0.000) 0.263 14.907 ( 0.000 -0.431 0.000) 0.431 15.152 ( 0.000 -0.267 0.000) 0.267 15.184 ( 0.000 -1.588 0.000) 1.588 15.262 ( 0.000 0.512 0.000) 0.512 15.265 ( 0.000 1.009 0.000) 1.009 15.365 ( 0.000 0.675 0.000) 0.675 15.392 ( 0.000 0.065 0.000) 0.065 19.378 ( 0.000 0.185 0.000) 0.185 19.406 ( 0.000 -0.576 0.000) 0.576 19.615 ( 0.000 1.876 0.000) 1.876 19.743 ( 0.000 -1.300 0.000) 1.300 20.210 ( 0.000 0.941 0.000) 0.941 20.285 ( 0.000 -1.145 0.000) 1.145 20.386 ( 0.000 3.024 0.000) 3.024 20.537 ( 0.000 -1.047 0.000) 1.047 21.148 ( 0.000 -1.242 0.000) 1.242 21.168 ( 0.000 -2.190 0.000) 2.190 21.415 ( 0.000 4.596 0.000) 4.596 21.608 ( 0.000 0.936 0.000) 0.936 21.713 ( 0.000 -1.002 0.000) 1.002 21.765 ( 0.000 -4.287 0.000) 4.287 22.057 ( 0.000 -0.997 0.000) 0.997 22.057 ( 0.000 0.135 0.000) 0.135 22.094 ( 0.000 2.251 0.000) 2.251 22.249 ( 0.000 5.095 0.000) 5.095 22.308 ( 0.000 0.516 0.000) 0.516 22.455 ( 0.000 -0.532 0.000) 0.532 22.502 ( 0.000 -4.366 0.000) 4.366 22.649 ( 0.000 -0.651 0.000) 0.651 22.698 ( 0.000 3.445 0.000) 3.445 22.848 ( 0.000 -7.137 0.000) 7.137 22.958 ( 0.000 -1.131 0.000) 1.131 22.978 ( 0.000 -0.603 0.000) 0.603 23.153 ( 0.000 1.865 0.000) 1.865 23.320 ( 0.000 -2.298 0.000) 2.298 23.457 ( 0.000 0.210 0.000) 0.210 23.495 ( 0.000 -0.346 0.000) 0.346 23.574 ( 0.000 4.800 0.000) 4.800 23.710 ( 0.000 -0.512 0.000) 0.512 23.738 ( 0.000 0.480 0.000) 0.480 23.770 ( 0.000 -0.703 0.000) 0.703 23.944 ( 0.000 3.063 0.000) 3.063 24.174 ( 0.000 -2.781 0.000) 2.781 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 16.437 11.291 -0.291) 19.944 0.598 ( 14.860 15.540 3.475) 21.780 0.863 ( 27.502 14.847 6.419) 31.906 1.217 ( -0.393 -4.521 -8.947) 10.032 1.425 ( 6.467 -5.215 -2.521) 8.682 1.440 ( 1.278 -5.537 7.981) 9.798 1.491 ( 3.572 -2.599 -3.592) 5.694 1.641 ( 4.151 -0.706 4.092) 5.872 1.689 ( 4.390 0.654 0.160) 4.442 1.714 ( 3.078 1.045 1.965) 3.798 1.806 ( 0.736 -0.613 -2.196) 2.396 1.845 ( 5.900 0.219 -0.442) 5.921 1.937 ( -0.964 -3.067 0.221) 3.222 1.978 ( 4.929 0.005 -0.833) 4.999 2.011 ( 0.480 4.274 -0.830) 4.380 2.028 ( -2.490 -0.974 -0.914) 2.825 2.078 ( 1.281 -5.546 0.887) 5.760 2.111 ( 1.354 1.568 2.214) 3.032 2.173 ( 0.487 -3.650 0.981) 3.811 2.189 ( 1.268 0.320 3.332) 3.580 2.223 ( 0.152 1.838 1.148) 2.172 2.231 ( 1.431 0.184 -1.715) 2.241 2.302 ( 1.941 1.790 -3.245) 4.183 2.352 ( -2.094 -0.033 -1.366) 2.501 2.369 ( 3.014 2.046 -0.561) 3.685 2.441 ( 0.507 -4.031 2.660) 4.856 2.501 ( 1.273 -2.412 -0.272) 2.741 2.520 ( 0.414 0.994 1.475) 1.826 2.582 ( 3.783 -2.287 1.054) 4.545 2.636 ( -1.240 -0.655 0.739) 1.586 2.699 ( -2.072 -1.398 1.959) 3.176 2.718 ( -0.505 3.427 -8.000) 8.718 2.741 ( 0.287 3.852 -1.479) 4.136 2.773 ( -2.473 0.174 -1.236) 2.770 2.838 ( 0.568 -1.188 -0.588) 1.442 2.874 ( -0.061 0.225 -2.943) 2.952 2.942 ( 1.411 5.708 0.657) 5.916 2.988 ( 2.260 -1.059 4.186) 4.873 3.110 ( 0.051 6.690 7.361) 9.947 3.155 ( -3.911 0.373 -1.401) 4.171 3.304 ( -4.628 0.766 -4.582) 6.558 3.353 ( -2.835 0.327 0.925) 3.000 3.394 ( 0.659 1.292 -2.490) 2.882 3.410 ( -5.396 -1.521 1.221) 5.738 3.523 ( -3.815 -1.068 1.773) 4.341 3.544 ( -1.468 -3.139 -2.303) 4.160 3.599 ( -1.326 -0.721 -1.105) 1.871 3.693 ( -1.882 0.813 4.022) 4.515 3.717 ( -1.628 -1.765 2.312) 3.333 3.758 ( -4.810 0.991 1.133) 5.040 3.942 ( -0.884 -0.169 -2.952) 3.086 3.980 ( 0.524 1.198 -3.367) 3.612 4.173 ( -1.904 0.714 3.917) 4.413 4.307 ( -3.248 -0.984 2.547) 4.243 4.337 ( -6.421 3.231 -1.936) 7.444 4.560 ( -1.739 -1.873 -1.518) 2.973 4.675 ( 2.501 -2.430 -4.247) 5.495 4.690 ( -4.810 -2.468 1.301) 5.561 4.823 ( -2.169 1.915 0.996) 3.060 4.875 ( 3.306 0.950 -4.819) 5.921 5.036 ( 1.507 2.541 -5.139) 5.928 5.151 ( -5.540 0.679 4.318) 7.056 5.213 ( -3.641 -4.147 2.178) 5.933 5.323 ( 5.505 -3.367 1.839) 6.710 5.345 ( -5.311 -1.043 1.375) 5.585 5.411 ( -1.851 -0.457 1.762) 2.597 5.536 ( -2.194 2.213 -0.485) 3.154 5.676 ( 1.109 -2.464 2.958) 4.006 5.704 ( 1.199 -5.578 0.658) 5.744 5.748 ( 2.120 -0.906 -2.116) 3.129 5.919 ( 0.446 -3.683 -1.198) 3.899 5.969 ( 2.250 -4.457 -2.802) 5.725 6.052 ( 4.235 0.831 -2.204) 4.846 6.149 ( -2.330 -1.035 -1.297) 2.861 6.211 ( -4.261 1.368 -1.022) 4.591 6.265 ( -4.398 5.517 1.267) 7.168 6.375 ( 1.370 -1.867 -0.784) 2.445 6.506 ( 3.754 0.908 4.690) 6.075 6.514 ( 1.222 2.458 -2.503) 3.715 6.673 ( 1.058 8.441 1.777) 8.690 6.828 ( -0.438 -2.870 0.429) 2.935 7.084 ( -4.349 -0.504 4.114) 6.008 7.254 ( 7.406 -0.101 -7.649) 10.648 7.379 ( -1.739 0.679 0.261) 1.885 8.476 ( 1.037 0.238 0.969) 1.439 8.521 ( 3.304 -1.367 0.078) 3.577 8.701 ( -1.248 -0.066 -0.723) 1.444 8.721 ( -0.693 -0.355 -0.185) 0.801 8.774 ( 1.423 0.285 -2.823) 3.174 8.833 ( 0.762 -1.135 -1.289) 1.879 8.907 ( -0.544 1.847 -2.681) 3.301 9.024 ( -3.261 2.548 -1.203) 4.310 9.055 ( 0.912 -2.324 1.305) 2.817 9.151 ( 4.790 1.101 1.851) 5.252 9.211 ( -1.115 -4.688 -1.617) 5.083 9.251 ( 2.304 -0.450 0.168) 2.354 9.320 ( -0.627 2.442 0.167) 2.527 9.476 ( 2.812 -0.268 6.129) 6.749 9.600 ( 0.684 2.074 0.473) 2.235 9.637 ( -1.827 -0.847 6.195) 6.515 9.681 ( -1.824 -0.293 -0.344) 1.879 9.746 ( -0.253 0.344 1.480) 1.540 9.841 ( 2.639 -2.899 -2.595) 4.702 9.910 ( 0.612 0.415 2.399) 2.510 9.993 ( -5.346 -0.478 -0.861) 5.436 10.063 ( -3.168 -0.911 -3.376) 4.718 10.088 ( -7.675 -0.102 0.534) 7.694 10.185 ( -1.496 -3.503 0.983) 3.934 10.331 ( -1.792 3.903 -1.652) 4.601 10.349 ( -0.205 5.297 -2.654) 5.928 10.553 ( -1.195 2.064 -0.641) 2.470 10.595 ( 4.801 0.453 -1.691) 5.110 10.654 ( -0.433 -0.604 -6.895) 6.935 10.723 ( 1.501 0.124 -1.566) 2.172 10.940 ( 0.598 1.963 -1.198) 2.376 10.966 ( 1.115 2.181 0.167) 2.455 11.185 ( -1.614 -0.812 5.804) 6.078 11.294 ( 3.656 -2.938 2.524) 5.326 11.405 ( -2.493 3.411 -2.135) 4.734 11.590 ( -1.883 -2.242 -3.548) 4.600 12.159 ( -3.651 3.466 -4.466) 6.730 12.180 ( -0.585 2.732 0.767) 2.897 12.238 ( -2.429 1.975 -1.449) 3.450 12.366 ( 4.330 -1.071 3.072) 5.416 12.724 ( 2.386 2.003 2.127) 3.772 12.950 ( 3.188 -6.268 -1.535) 7.198 13.039 ( 0.494 0.051 -0.608) 0.785 13.091 ( 0.744 -0.671 -0.733) 1.242 13.498 ( 0.449 2.727 0.655) 2.840 13.612 ( -1.768 2.247 -2.934) 4.097 13.717 ( -7.540 6.578 -6.847) 12.124 13.794 ( -2.951 -0.776 -3.275) 4.476 13.873 ( -2.484 4.012 3.488) 5.868 14.055 ( -1.849 -1.579 1.626) 2.925 14.166 ( -6.342 3.608 6.426) 9.723 14.329 ( 0.389 -0.729 3.917) 4.003 14.915 ( 2.231 0.713 1.321) 2.689 15.037 ( 2.150 -3.696 2.913) 5.174 15.140 ( -2.750 1.133 0.212) 2.982 15.172 ( 2.253 -0.765 -0.981) 2.574 15.229 ( -2.248 0.187 -0.255) 2.270 15.301 ( -1.706 -2.538 -2.226) 3.782 15.352 ( -1.082 0.869 0.449) 1.459 15.399 ( 1.475 -1.009 1.339) 2.233 19.466 ( 10.668 -0.854 -0.532) 10.716 19.483 ( 9.003 -0.638 0.154) 9.027 19.687 ( 10.745 3.830 0.600) 11.423 19.962 ( 17.419 -5.886 -22.869) 29.344 20.206 ( -0.375 0.749 -0.013) 0.838 20.301 ( -0.642 -2.632 2.953) 4.007 20.388 ( 0.569 2.936 1.104) 3.188 20.582 ( -3.070 -0.273 9.271) 9.769 21.150 ( -0.304 -2.702 0.290) 2.734 21.281 ( 3.792 -7.326 4.411) 9.355 21.392 ( -2.121 3.812 -0.031) 4.362 21.632 ( -1.788 -3.747 3.458) 5.403 21.721 ( -0.020 -1.699 -0.596) 1.801 21.754 ( -0.138 -5.911 0.673) 5.951 22.076 ( 2.667 2.480 0.026) 3.642 22.108 ( 1.792 0.487 2.107) 2.809 22.153 ( -0.797 1.367 0.238) 1.600 22.171 ( 0.654 6.295 3.517) 7.240 22.324 ( 2.048 -0.446 1.423) 2.534 22.421 ( -0.849 -1.515 -4.257) 4.598 22.526 ( 0.012 -2.590 3.364) 4.245 22.656 ( -1.786 -3.045 0.032) 3.530 22.707 ( 5.052 -0.937 -6.785) 8.511 22.815 ( 0.181 -3.275 -6.072) 6.902 23.002 ( 2.271 -1.224 4.102) 4.846 23.131 ( 1.922 -1.559 2.101) 3.246 23.152 ( 5.283 -4.570 -0.194) 6.988 23.332 ( 1.611 -4.183 -2.262) 5.021 23.473 ( 1.603 0.512 -0.505) 1.757 23.507 ( 1.757 -0.079 -0.565) 1.847 23.592 ( 0.867 3.898 2.022) 4.476 23.705 ( -1.084 -0.560 1.139) 1.669 23.771 ( 1.195 -1.909 2.574) 3.420 23.776 ( 1.356 -1.454 -0.696) 2.106 23.932 ( -0.919 3.182 -0.483) 3.347 24.114 ( -4.060 0.945 -2.357) 4.789 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 17.830 6.132 -0.730) 18.869 0.881 ( 15.212 9.519 1.956) 18.051 1.168 ( 3.806 -0.467 -6.074) 7.183 1.361 ( 14.007 3.154 -3.131) 14.695 1.531 ( 3.055 -2.239 7.730) 8.608 1.539 ( 4.288 -5.446 2.790) 7.472 1.582 ( 11.544 -0.010 6.584) 13.290 1.715 ( 3.022 -0.658 -3.285) 4.512 1.753 ( 5.687 -2.048 1.503) 6.229 1.787 ( -1.984 -1.121 -2.328) 3.258 1.842 ( 5.457 3.100 3.653) 7.262 1.898 ( -0.771 0.302 -2.844) 2.962 1.922 ( -1.069 -0.849 -1.071) 1.735 1.988 ( 3.232 2.635 -1.027) 4.295 2.002 ( -1.806 0.480 1.181) 2.211 2.044 ( -2.560 -0.106 2.051) 3.282 2.085 ( 0.808 0.371 1.563) 1.798 2.131 ( 4.778 1.783 -1.658) 5.363 2.206 ( 2.865 3.124 -0.395) 4.257 2.245 ( 5.875 -2.392 0.543) 6.367 2.271 ( 3.816 -1.922 2.497) 4.949 2.299 ( 0.761 -1.257 0.927) 1.738 2.334 ( 3.439 -0.537 0.519) 3.520 2.364 ( 4.037 1.030 -1.006) 4.286 2.429 ( 3.645 -2.658 0.722) 4.569 2.450 ( -0.259 -1.066 -0.017) 1.097 2.520 ( 0.635 1.733 -1.887) 2.639 2.560 ( 0.420 -3.558 -0.384) 3.603 2.613 ( -2.795 -2.537 -0.731) 3.845 2.633 ( 3.152 1.848 -3.681) 5.186 2.653 ( 0.294 -1.659 0.798) 1.865 2.718 ( 1.594 0.297 1.451) 2.176 2.739 ( 0.080 1.456 1.671) 2.218 2.781 ( 1.167 0.945 2.856) 3.226 2.825 ( -1.797 0.350 -4.763) 5.103 2.876 ( 6.819 -3.228 0.455) 7.558 2.965 ( 0.497 3.261 0.227) 3.306 3.036 ( -1.034 -1.803 0.198) 2.087 3.076 ( -1.065 1.311 -0.111) 1.692 3.145 ( -2.952 1.711 3.728) 5.054 3.228 ( -0.217 -0.449 -2.843) 2.887 3.277 ( -7.542 0.450 -0.584) 7.578 3.310 ( -2.290 2.887 -1.006) 3.820 3.386 ( -2.174 -1.138 2.093) 3.225 3.405 ( -6.528 -3.150 -2.364) 7.624 3.497 ( -2.057 -0.023 -2.087) 2.930 3.562 ( -3.527 0.676 -0.676) 3.654 3.643 ( -5.156 4.482 1.627) 7.023 3.706 ( -1.446 -2.219 3.529) 4.412 3.730 ( -1.234 -1.444 2.265) 2.957 3.870 ( -5.196 -0.050 -4.070) 6.601 3.931 ( -3.878 1.099 -3.674) 5.454 4.078 ( -8.721 3.186 0.949) 9.333 4.258 ( -0.775 -1.059 1.071) 1.693 4.302 ( -0.396 0.244 1.252) 1.335 4.495 ( -2.080 -2.901 -0.426) 3.595 4.620 ( -2.961 0.164 0.290) 2.980 4.700 ( -0.840 0.570 0.366) 1.079 4.817 ( 0.434 0.114 1.690) 1.748 4.922 ( 4.449 -1.424 -4.716) 6.638 5.001 ( -0.578 1.821 -6.650) 6.919 5.065 ( -3.820 -0.415 -3.645) 5.296 5.135 ( -7.080 3.786 3.692) 8.837 5.256 ( -0.633 -3.673 1.259) 3.934 5.388 ( -6.008 -3.278 5.217) 8.606 5.415 ( 2.451 -4.520 0.320) 5.152 5.525 ( 1.170 1.551 0.690) 2.062 5.662 ( -2.047 1.222 -1.475) 2.803 5.683 ( -0.455 -3.160 0.739) 3.277 5.813 ( 0.765 1.398 -1.747) 2.365 5.935 ( -0.009 -4.805 2.191) 5.281 6.007 ( 0.544 -2.957 -1.054) 3.186 6.041 ( -2.878 -1.946 -3.861) 5.194 6.091 ( 0.172 -3.201 -0.994) 3.356 6.129 ( -3.604 1.715 -2.103) 4.511 6.199 ( -2.495 1.340 1.053) 3.021 6.388 ( 0.593 1.523 -0.698) 1.778 6.527 ( 3.077 5.981 -2.439) 7.154 6.612 ( 2.692 -1.701 4.143) 5.226 6.684 ( -1.655 8.107 4.079) 9.225 6.896 ( 8.121 -3.615 -2.476) 9.228 7.062 ( -0.648 -0.936 4.458) 4.601 7.297 ( 0.875 0.582 -2.102) 2.350 7.340 ( -1.695 1.599 -2.049) 3.102 8.511 ( 2.301 0.721 -0.316) 2.432 8.579 ( 2.142 -1.639 1.224) 2.962 8.672 ( -1.255 0.931 -0.916) 1.811 8.709 ( -0.520 0.158 0.328) 0.635 8.762 ( 0.709 1.407 -2.983) 3.373 8.856 ( 2.221 -2.358 -0.784) 3.332 8.924 ( 1.979 0.715 0.605) 2.190 8.968 ( -2.166 1.379 1.076) 2.785 9.068 ( 0.820 -2.756 -2.168) 3.602 9.172 ( -1.882 -6.055 -0.690) 6.378 9.266 ( 5.230 0.292 2.433) 5.776 9.301 ( 1.935 3.867 -0.117) 4.325 9.326 ( 2.498 -0.968 1.504) 3.072 9.519 ( -2.354 -0.159 4.473) 5.057 9.583 ( -2.569 0.130 -1.236) 2.854 9.620 ( -4.464 -0.870 2.781) 5.331 9.692 ( 2.013 1.297 4.271) 4.896 9.764 ( 0.880 0.655 1.880) 2.176 9.856 ( 0.617 -1.283 -4.166) 4.402 9.905 ( -3.867 0.577 1.592) 4.222 9.931 ( -2.280 0.759 1.464) 2.813 9.992 ( -2.520 -3.053 1.129) 4.117 10.021 ( 2.147 -1.555 -1.025) 2.842 10.125 ( -4.704 -2.934 -1.387) 5.714 10.265 ( -3.368 2.176 -3.541) 5.349 10.304 ( 0.195 4.518 -2.603) 5.218 10.596 ( 2.244 0.800 -0.786) 2.509 10.617 ( 1.173 1.244 -2.172) 2.765 10.651 ( 2.437 -1.252 -4.978) 5.682 10.770 ( 3.461 -3.168 1.937) 5.076 10.963 ( 3.387 2.888 -0.856) 4.532 10.980 ( 0.322 4.159 0.216) 4.177 11.196 ( -0.431 -0.061 4.495) 4.516 11.324 ( -4.169 3.573 -2.043) 5.858 11.416 ( 6.109 -3.755 3.657) 8.050 11.502 ( -4.905 -1.799 -5.950) 7.918 12.087 ( -2.222 1.789 -2.845) 4.029 12.162 ( -2.494 0.079 -0.131) 2.499 12.200 ( -0.060 5.189 -1.370) 5.367 12.469 ( 4.586 -2.130 2.968) 5.863 12.769 ( 1.064 1.855 1.512) 2.618 12.942 ( -1.571 -3.213 -0.339) 3.593 13.037 ( -0.030 0.783 -1.838) 1.998 13.100 ( 0.832 -0.662 -0.688) 1.266 13.509 ( -0.189 3.525 0.474) 3.562 13.529 ( -2.015 4.411 -2.729) 5.564 13.682 ( 1.310 -0.404 0.717) 1.547 13.715 ( -3.178 -1.544 -3.343) 4.864 13.868 ( -1.134 2.104 2.965) 3.808 14.006 ( -5.193 -2.014 1.709) 5.826 14.129 ( -1.254 4.082 2.490) 4.943 14.362 ( 0.161 -1.938 4.138) 4.572 14.938 ( -0.302 0.887 0.889) 1.292 15.032 ( -2.388 -2.002 0.410) 3.143 15.113 ( 0.317 1.601 -1.796) 2.427 15.174 ( -3.311 0.709 -0.045) 3.387 15.219 ( -1.043 -1.529 -4.298) 4.679 15.242 ( -0.471 -1.307 -0.413) 1.450 15.312 ( 0.538 2.411 -0.077) 2.472 15.449 ( 0.975 -2.087 3.180) 3.927 19.676 ( 12.320 -0.127 0.544) 12.333 19.709 ( 14.663 -1.458 -0.559) 14.746 19.901 ( 11.317 3.739 0.018) 11.919 20.079 ( 9.949 -1.324 -11.914) 15.578 20.199 ( -0.185 0.150 -0.442) 0.502 20.307 ( -0.520 -3.278 3.367) 4.728 20.414 ( 1.299 2.693 1.006) 3.155 20.545 ( -4.928 3.274 3.993) 7.138 21.152 ( 0.757 -2.141 -0.201) 2.280 21.310 ( -2.535 -4.879 2.040) 5.865 21.359 ( -0.527 4.724 -0.147) 4.755 21.576 ( -5.034 -1.922 -0.317) 5.398 21.694 ( -1.131 -1.818 -1.150) 2.431 21.782 ( 1.211 -8.225 2.715) 8.746 22.053 ( -4.149 5.905 2.980) 7.808 22.102 ( -1.129 2.482 0.176) 2.732 22.198 ( 3.631 2.398 0.601) 4.392 22.281 ( 5.668 -1.156 0.736) 5.831 22.363 ( 2.102 0.106 -0.416) 2.145 22.412 ( 2.390 1.038 -1.092) 2.825 22.539 ( -0.184 -1.826 1.961) 2.686 22.644 ( 0.373 -2.930 -0.226) 2.962 22.738 ( 1.891 -3.511 -2.801) 4.873 22.776 ( -1.162 -2.944 -3.516) 4.731 23.059 ( 0.228 -0.653 3.732) 3.795 23.128 ( 0.866 -0.110 1.026) 1.347 23.230 ( 2.010 -3.593 -1.203) 4.290 23.332 ( 0.711 -5.005 -3.571) 6.189 23.497 ( 1.517 0.710 -0.629) 1.789 23.547 ( 2.833 0.680 -0.539) 2.963 23.615 ( 0.264 3.956 0.364) 3.981 23.692 ( -1.025 -0.837 1.657) 2.120 23.777 ( 0.011 -1.509 -0.736) 1.679 23.811 ( 1.084 -2.828 1.442) 3.354 23.918 ( -0.408 2.846 0.128) 2.878 24.037 ( -3.201 2.290 -1.336) 4.156 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 9.671 3.532 -0.164) 10.297 1.109 ( 9.774 1.783 -6.257) 11.742 1.246 ( 5.674 3.795 8.249) 10.707 1.397 ( -1.947 5.173 -0.799) 5.585 1.495 ( -6.662 -4.358 -3.560) 8.721 1.634 ( 0.863 -2.052 1.717) 2.811 1.670 ( -1.348 1.262 4.185) 4.574 1.723 ( 0.041 0.797 -4.043) 4.121 1.795 ( 1.951 1.048 -1.066) 2.458 1.865 ( 0.939 -3.439 2.149) 4.163 1.870 ( 2.388 0.490 -1.929) 3.109 1.924 ( 0.737 0.560 0.884) 1.280 1.948 ( -1.244 0.505 -0.979) 1.662 1.964 ( -3.332 -2.078 -0.928) 4.035 2.042 ( 4.911 -1.871 3.830) 6.503 2.106 ( 3.336 -0.655 2.518) 4.230 2.165 ( 12.530 3.440 2.123) 13.166 2.192 ( 2.549 1.975 0.090) 3.226 2.274 ( 2.414 0.240 1.129) 2.675 2.325 ( 2.182 -1.736 0.868) 2.920 2.346 ( 2.636 -0.494 0.993) 2.860 2.361 ( 4.695 -0.709 1.343) 4.935 2.383 ( 1.806 -0.322 -0.004) 1.835 2.411 ( -1.179 -1.319 -0.699) 1.902 2.426 ( -1.338 -2.268 -1.395) 2.980 2.478 ( -3.011 2.185 -1.983) 4.216 2.499 ( -0.156 -0.372 0.359) 0.540 2.518 ( 1.238 -1.632 -3.324) 3.905 2.570 ( 0.649 -0.459 0.401) 0.890 2.603 ( -3.860 4.049 -1.107) 5.703 2.678 ( 1.467 -1.180 1.761) 2.579 2.729 ( -1.588 -2.844 -2.459) 4.081 2.739 ( -1.762 -2.817 2.469) 4.139 2.834 ( 4.731 1.141 -0.327) 4.878 2.869 ( 3.178 2.323 -0.273) 3.946 2.920 ( -4.417 -3.452 -0.791) 5.662 3.005 ( 2.697 1.073 0.103) 2.905 3.044 ( 1.636 0.855 1.127) 2.162 3.079 ( -1.232 -0.399 0.025) 1.295 3.117 ( 0.518 -3.437 1.435) 3.760 3.125 ( 0.710 -0.227 -0.295) 0.802 3.244 ( -2.375 2.231 -2.811) 4.303 3.277 ( -3.549 -0.874 -1.316) 3.884 3.310 ( 1.712 -0.918 -2.556) 3.211 3.359 ( -3.356 -3.462 3.580) 6.006 3.473 ( 0.503 5.132 -0.624) 5.194 3.501 ( -1.915 1.186 0.331) 2.276 3.597 ( -0.941 5.586 3.713) 6.773 3.663 ( -3.396 -1.824 -3.502) 5.208 3.730 ( -0.113 -0.302 1.426) 1.462 3.738 ( -5.260 -0.961 -1.782) 5.636 3.816 ( -5.652 1.780 -1.183) 6.043 3.981 ( -2.666 1.897 0.838) 3.378 4.221 ( -2.143 -5.507 -0.136) 5.911 4.365 ( 4.643 2.172 1.024) 5.228 4.518 ( 1.878 -0.683 4.684) 5.093 4.562 ( -2.287 -0.088 -3.123) 3.872 4.635 ( -5.184 0.934 -1.582) 5.500 4.846 ( 0.770 1.279 2.103) 2.579 4.904 ( 0.050 -0.001 -2.590) 2.591 4.996 ( -0.845 0.599 -0.686) 1.242 5.013 ( -3.275 1.194 -0.355) 3.504 5.102 ( 8.263 -1.249 -4.828) 9.652 5.259 ( -8.042 -5.065 3.514) 10.132 5.302 ( 0.105 -3.386 1.412) 3.670 5.440 ( 0.582 -3.579 -0.222) 3.633 5.553 ( 0.866 1.024 -0.193) 1.355 5.632 ( 0.070 3.962 -0.273) 3.972 5.669 ( -2.049 -1.023 0.858) 2.446 5.773 ( -2.959 2.650 -1.211) 4.153 5.901 ( 0.334 2.400 -0.475) 2.469 5.956 ( -2.708 -4.837 0.868) 5.611 6.022 ( -2.577 -0.785 -0.878) 2.833 6.085 ( 0.318 0.907 -0.224) 0.987 6.125 ( 2.040 -7.784 0.897) 8.096 6.175 ( -0.351 -4.731 -1.748) 5.056 6.397 ( 0.663 2.615 -0.176) 2.703 6.577 ( 3.766 9.636 -2.838) 10.728 6.624 ( -2.129 5.104 2.581) 6.102 6.688 ( -0.964 -0.577 2.679) 2.905 7.025 ( 7.930 -4.098 -5.047) 10.255 7.100 ( -0.514 -4.440 5.190) 6.849 7.272 ( -3.014 3.722 5.285) 7.132 7.301 ( -0.023 2.929 -6.205) 6.861 8.541 ( 1.278 0.335 -0.548) 1.430 8.604 ( 0.169 -1.518 0.875) 1.761 8.653 ( -0.380 0.994 -0.455) 1.158 8.706 ( -0.204 0.263 0.293) 0.443 8.766 ( 0.906 1.581 -1.261) 2.216 8.874 ( -0.285 -2.350 0.289) 2.385 8.965 ( 2.074 -0.355 1.505) 2.587 8.980 ( 1.784 -0.195 0.722) 1.935 9.055 ( -0.440 -0.368 -2.464) 2.530 9.135 ( -1.830 -4.902 -0.386) 5.247 9.308 ( 1.290 1.369 1.405) 2.348 9.379 ( 3.905 0.101 -0.877) 4.004 9.385 ( 1.416 -0.163 2.621) 2.983 9.475 ( -3.703 2.609 -0.155) 4.533 9.531 ( -2.181 -2.397 1.743) 3.680 9.547 ( -2.587 -1.018 -1.455) 3.138 9.748 ( 1.538 -0.277 3.364) 3.709 9.801 ( -0.147 0.170 -0.711) 0.746 9.809 ( -1.291 -0.198 1.218) 1.786 9.866 ( -0.851 3.388 -1.926) 3.989 9.913 ( -0.246 2.514 -0.165) 2.531 9.980 ( -0.212 -6.079 0.146) 6.084 10.048 ( -1.981 -0.330 -1.250) 2.365 10.093 ( 3.255 -3.151 4.507) 6.391 10.181 ( -3.203 -1.383 -4.469) 5.669 10.313 ( 1.252 -0.691 -0.909) 1.695 10.609 ( 0.678 0.496 -0.687) 1.085 10.640 ( -0.019 -1.408 -2.513) 2.881 10.651 ( 1.975 4.815 0.785) 5.263 10.794 ( -1.434 0.044 0.049) 1.436 10.984 ( 0.160 5.040 0.161) 5.046 11.079 ( 7.830 0.587 2.521) 8.247 11.218 ( 0.567 0.714 1.101) 1.430 11.257 ( -2.373 2.259 0.216) 3.283 11.346 ( -6.955 -0.681 -5.742) 9.045 11.525 ( 3.134 -4.064 1.684) 5.401 12.044 ( -1.030 0.180 -1.144) 1.550 12.116 ( -1.554 -0.994 -0.550) 1.925 12.200 ( 0.189 7.124 -0.172) 7.129 12.542 ( 1.848 -2.723 1.180) 3.496 12.783 ( 0.032 1.499 0.460) 1.569 12.917 ( -0.795 -2.845 -0.172) 2.959 13.026 ( -0.134 2.532 -0.560) 2.597 13.110 ( 0.436 -0.437 -0.146) 0.635 13.484 ( -0.635 3.195 -0.805) 3.356 13.527 ( 0.200 2.738 0.470) 2.785 13.656 ( -1.378 -1.922 -1.474) 2.786 13.717 ( 1.540 -1.486 0.387) 2.175 13.872 ( -0.008 1.369 1.940) 2.374 13.924 ( -3.731 -0.230 -0.347) 3.754 14.134 ( 0.069 3.375 1.036) 3.531 14.382 ( -0.033 -2.510 1.721) 3.044 14.932 ( -0.452 0.956 0.308) 1.101 14.999 ( -1.105 -0.834 0.061) 1.386 15.102 ( -0.762 0.678 -1.455) 1.777 15.131 ( -1.368 1.203 1.552) 2.393 15.156 ( -0.812 -0.519 -3.644) 3.769 15.215 ( -1.277 -1.063 -0.282) 1.685 15.382 ( 3.768 0.595 0.483) 3.845 15.461 ( -1.079 -1.255 1.387) 2.159 19.853 ( 6.117 0.327 0.346) 6.136 19.904 ( 6.062 -2.055 -0.136) 6.403 20.037 ( 4.381 4.826 -0.687) 6.554 20.144 ( 1.698 0.804 -1.825) 2.619 20.213 ( 3.696 -1.408 -3.041) 4.989 20.316 ( -1.877 -3.761 2.710) 5.002 20.433 ( 0.377 4.058 0.051) 4.076 20.501 ( -1.508 2.751 1.886) 3.661 21.181 ( 2.980 -1.964 -0.545) 3.610 21.246 ( -4.706 -2.600 0.960) 5.462 21.379 ( 2.031 4.486 0.344) 4.937 21.482 ( -4.265 -0.483 -0.845) 4.375 21.676 ( -0.398 -2.079 -0.275) 2.134 21.817 ( 0.988 -8.993 1.106) 9.115 22.026 ( -0.605 3.793 1.276) 4.047 22.065 ( -2.142 3.110 -0.539) 3.814 22.225 ( 0.166 3.288 -0.129) 3.295 22.368 ( 3.310 -2.100 1.376) 4.155 22.405 ( 1.414 -3.239 -1.079) 3.695 22.455 ( 1.660 5.008 0.669) 5.318 22.554 ( 1.455 0.193 -0.280) 1.494 22.656 ( 1.052 -0.045 -0.198) 1.072 22.713 ( -3.322 -2.502 0.632) 4.206 22.753 ( 0.495 -5.654 -2.123) 6.060 23.071 ( 0.106 -2.998 1.590) 3.395 23.168 ( 1.325 -1.217 1.844) 2.576 23.222 ( -0.927 -2.866 -1.833) 3.526 23.324 ( 0.435 -3.182 -1.733) 3.649 23.515 ( 0.828 0.595 -0.317) 1.068 23.584 ( 1.248 2.190 -0.244) 2.532 23.604 ( -0.868 3.253 0.001) 3.367 23.697 ( 0.276 -0.671 0.744) 1.039 23.768 ( -0.333 -1.592 -0.374) 1.669 23.837 ( 1.263 -3.065 0.028) 3.315 23.909 ( -0.937 3.694 0.235) 3.819 23.993 ( -1.068 2.097 -0.133) 2.357 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 0.000 18.393 0.000) 18.393 0.730 ( 0.000 19.926 0.000) 19.926 0.977 ( 0.000 -17.735 0.000) 17.735 1.081 ( 0.000 -13.359 0.000) 13.359 1.120 ( 0.000 21.852 0.000) 21.852 1.424 ( 0.000 1.183 0.000) 1.183 1.466 ( 0.000 -1.407 0.000) 1.407 1.543 ( 0.000 -16.931 0.000) 16.931 1.629 ( 0.000 6.006 0.000) 6.006 1.727 ( 0.000 0.757 0.000) 0.757 1.791 ( 0.000 2.153 0.000) 2.153 1.805 ( 0.000 0.306 0.000) 0.306 1.846 ( 0.000 -3.816 0.000) 3.816 1.888 ( 0.000 -3.605 0.000) 3.605 1.970 ( 0.000 -0.210 0.000) 0.210 1.991 ( 0.000 -3.019 0.000) 3.019 2.096 ( 0.000 1.838 0.000) 1.838 2.109 ( 0.000 2.962 0.000) 2.962 2.120 ( 0.000 -0.730 0.000) 0.730 2.152 ( 0.000 -2.239 0.000) 2.239 2.232 ( 0.000 1.274 0.000) 1.274 2.288 ( 0.000 -4.460 0.000) 4.460 2.337 ( 0.000 3.887 0.000) 3.887 2.375 ( 0.000 0.815 0.000) 0.815 2.387 ( 0.000 2.063 0.000) 2.063 2.430 ( 0.000 -3.646 0.000) 3.646 2.458 ( 0.000 4.053 0.000) 4.053 2.478 ( 0.000 0.022 0.000) 0.022 2.545 ( 0.000 0.834 0.000) 0.834 2.613 ( 0.000 -5.408 0.000) 5.408 2.684 ( 0.000 1.901 0.000) 1.901 2.736 ( 0.000 -3.461 0.000) 3.461 2.780 ( 0.000 2.799 0.000) 2.799 2.833 ( 0.000 -2.720 0.000) 2.720 2.863 ( 0.000 2.073 0.000) 2.073 2.889 ( 0.000 -1.207 0.000) 1.207 3.025 ( 0.000 10.356 0.000) 10.356 3.056 ( 0.000 8.681 0.000) 8.681 3.172 ( 0.000 -1.494 0.000) 1.494 3.200 ( 0.000 -4.687 0.000) 4.687 3.312 ( 0.000 -0.798 0.000) 0.798 3.370 ( 0.000 -4.601 0.000) 4.601 3.401 ( 0.000 2.160 0.000) 2.160 3.454 ( 0.000 -1.408 0.000) 1.408 3.517 ( 0.000 1.339 0.000) 1.339 3.532 ( 0.000 -0.739 0.000) 0.739 3.611 ( 0.000 0.947 0.000) 0.947 3.657 ( 0.000 -3.318 0.000) 3.318 3.762 ( 0.000 3.353 0.000) 3.353 3.807 ( 0.000 -1.284 0.000) 1.284 3.966 ( 0.000 1.248 0.000) 1.248 3.984 ( 0.000 -0.554 0.000) 0.554 4.201 ( 0.000 3.540 0.000) 3.540 4.273 ( 0.000 -3.786 0.000) 3.786 4.536 ( 0.000 5.752 0.000) 5.752 4.573 ( 0.000 1.443 0.000) 1.443 4.597 ( 0.000 -1.930 0.000) 1.930 4.660 ( 0.000 -6.713 0.000) 6.713 4.880 ( 0.000 1.201 0.000) 1.201 4.892 ( 0.000 0.419 0.000) 0.419 5.098 ( 0.000 2.679 0.000) 2.679 5.155 ( 0.000 -3.995 0.000) 3.995 5.156 ( 0.000 2.193 0.000) 2.193 5.229 ( 0.000 -4.236 0.000) 4.236 5.313 ( 0.000 2.881 0.000) 2.881 5.398 ( 0.000 -6.246 0.000) 6.246 5.596 ( 0.000 1.300 0.000) 1.300 5.623 ( 0.000 -1.626 0.000) 1.626 5.689 ( 0.000 6.158 0.000) 6.158 5.760 ( 0.000 1.211 0.000) 1.211 5.813 ( 0.000 -5.959 0.000) 5.959 5.838 ( 0.000 -8.008 0.000) 8.008 6.054 ( 0.000 3.685 0.000) 3.685 6.124 ( 0.000 -4.140 0.000) 4.140 6.267 ( 0.000 3.614 0.000) 3.614 6.325 ( 0.000 -2.694 0.000) 2.694 6.396 ( 0.000 5.163 0.000) 5.163 6.466 ( 0.000 -1.897 0.000) 1.897 6.626 ( 0.000 6.755 0.000) 6.755 6.728 ( 0.000 -3.315 0.000) 3.315 6.859 ( 0.000 6.959 0.000) 6.959 7.008 ( 0.000 -7.918 0.000) 7.918 7.299 ( 0.000 6.202 0.000) 6.202 7.379 ( 0.000 -2.402 0.000) 2.402 8.458 ( 0.000 -0.130 0.000) 0.130 8.465 ( 0.000 -0.991 0.000) 0.991 8.708 ( 0.000 -0.083 0.000) 0.083 8.714 ( 0.000 -0.681 0.000) 0.681 8.774 ( 0.000 1.818 0.000) 1.818 8.808 ( 0.000 -1.814 0.000) 1.814 9.006 ( 0.000 1.912 0.000) 1.912 9.025 ( 0.000 -0.073 0.000) 0.073 9.094 ( 0.000 1.594 0.000) 1.594 9.095 ( 0.000 -0.366 0.000) 0.366 9.163 ( 0.000 -1.014 0.000) 1.014 9.198 ( 0.000 -2.978 0.000) 2.978 9.380 ( 0.000 2.876 0.000) 2.876 9.417 ( 0.000 -1.093 0.000) 1.093 9.634 ( 0.000 3.109 0.000) 3.109 9.640 ( 0.000 0.106 0.000) 0.106 9.658 ( 0.000 -1.171 0.000) 1.171 9.701 ( 0.000 -3.543 0.000) 3.543 9.861 ( 0.000 3.110 0.000) 3.110 9.907 ( 0.000 -0.899 0.000) 0.899 10.075 ( 0.000 -1.866 0.000) 1.866 10.078 ( 0.000 -1.628 0.000) 1.628 10.129 ( 0.000 0.262 0.000) 0.262 10.145 ( 0.000 -1.394 0.000) 1.394 10.357 ( 0.000 3.414 0.000) 3.414 10.388 ( 0.000 0.030 0.000) 0.030 10.581 ( 0.000 2.173 0.000) 2.173 10.620 ( 0.000 -2.122 0.000) 2.122 10.688 ( 0.000 0.010 0.000) 0.010 10.699 ( 0.000 -1.253 0.000) 1.253 10.973 ( 0.000 0.985 0.000) 0.985 10.974 ( 0.000 0.852 0.000) 0.852 11.185 ( 0.000 1.001 0.000) 1.001 11.217 ( 0.000 -2.409 0.000) 2.409 11.496 ( 0.000 3.533 0.000) 3.533 11.560 ( 0.000 -3.507 0.000) 3.507 12.227 ( 0.000 1.958 0.000) 1.958 12.244 ( 0.000 0.157 0.000) 0.157 12.300 ( 0.000 -0.133 0.000) 0.133 12.300 ( 0.000 -0.348 0.000) 0.348 12.738 ( 0.000 3.339 0.000) 3.339 12.802 ( 0.000 -3.497 0.000) 3.497 13.056 ( 0.000 0.981 0.000) 0.981 13.074 ( 0.000 -0.889 0.000) 0.889 13.551 ( 0.000 3.385 0.000) 3.385 13.601 ( 0.000 -1.993 0.000) 1.993 13.835 ( 0.000 0.086 0.000) 0.086 13.837 ( 0.000 -0.167 0.000) 0.167 14.008 ( 0.000 0.875 0.000) 0.875 14.036 ( 0.000 -2.124 0.000) 2.124 14.297 ( 0.000 0.996 0.000) 0.996 14.310 ( 0.000 -0.375 0.000) 0.375 14.887 ( 0.000 0.486 0.000) 0.486 14.897 ( 0.000 -0.586 0.000) 0.586 15.150 ( 0.000 0.141 0.000) 0.141 15.160 ( 0.000 -0.961 0.000) 0.961 15.272 ( 0.000 0.432 0.000) 0.432 15.275 ( 0.000 0.112 0.000) 0.112 15.380 ( 0.000 0.825 0.000) 0.825 15.390 ( 0.000 -0.301 0.000) 0.301 19.383 ( 0.000 0.458 0.000) 0.458 19.394 ( 0.000 -0.680 0.000) 0.680 19.659 ( 0.000 2.782 0.000) 2.782 19.708 ( 0.000 -2.452 0.000) 2.452 20.233 ( 0.000 1.453 0.000) 1.453 20.260 ( 0.000 -1.511 0.000) 1.511 20.450 ( 0.000 3.656 0.000) 3.656 20.507 ( 0.000 -2.359 0.000) 2.359 21.127 ( 0.000 -0.745 0.000) 0.745 21.132 ( 0.000 -1.347 0.000) 1.347 21.521 ( 0.000 6.721 0.000) 6.721 21.624 ( 0.000 -1.062 0.000) 1.062 21.670 ( 0.000 -3.762 0.000) 3.762 21.685 ( 0.000 -1.981 0.000) 1.981 22.051 ( 0.000 0.128 0.000) 0.128 22.055 ( 0.000 -0.213 0.000) 0.213 22.158 ( 0.000 4.383 0.000) 4.383 22.239 ( 0.000 -4.004 0.000) 4.004 22.397 ( 0.000 5.503 0.000) 5.503 22.441 ( 0.000 -1.056 0.000) 1.056 22.477 ( 0.000 2.926 0.000) 2.926 22.597 ( 0.000 -6.423 0.000) 6.423 22.726 ( 0.000 0.018 0.000) 0.018 22.737 ( 0.000 -2.806 0.000) 2.806 22.952 ( 0.000 0.438 0.000) 0.438 22.965 ( 0.000 -0.814 0.000) 0.814 23.200 ( 0.000 3.249 0.000) 3.249 23.264 ( 0.000 -3.543 0.000) 3.543 23.470 ( 0.000 0.963 0.000) 0.963 23.486 ( 0.000 -0.703 0.000) 0.703 23.653 ( 0.000 3.469 0.000) 3.469 23.696 ( 0.000 -1.302 0.000) 1.302 23.745 ( 0.000 0.364 0.000) 0.364 23.755 ( 0.000 -0.776 0.000) 0.776 24.018 ( 0.000 4.705 0.000) 4.705 24.105 ( 0.000 -4.556 0.000) 4.556 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 10.160 15.141 -0.157) 18.235 0.875 ( 13.148 14.777 2.291) 19.911 1.026 ( 5.075 -12.214 -3.584) 13.703 1.170 ( 8.201 -14.017 2.634) 16.452 1.226 ( 12.019 16.363 1.426) 20.353 1.432 ( 1.492 2.259 -2.751) 3.860 1.453 ( 4.166 -2.912 -3.531) 6.189 1.606 ( 5.337 -10.452 1.313) 11.809 1.691 ( 3.600 4.873 2.841) 6.691 1.785 ( 4.571 -3.946 -1.557) 6.235 1.803 ( 1.946 2.652 3.098) 4.519 1.836 ( 5.131 0.228 -3.652) 6.302 1.869 ( 1.068 1.188 0.841) 1.805 1.951 ( 5.731 -4.406 4.606) 8.572 1.981 ( 2.146 -0.184 0.228) 2.166 2.005 ( 0.004 -2.752 1.336) 3.059 2.086 ( -1.717 1.837 -0.111) 2.517 2.106 ( -0.873 -0.377 0.856) 1.280 2.171 ( 3.513 0.614 2.511) 4.361 2.178 ( 2.679 -0.355 1.561) 3.121 2.231 ( 0.945 0.881 -1.753) 2.177 2.267 ( -0.704 -0.070 -5.402) 5.448 2.309 ( -0.273 0.093 1.794) 1.817 2.316 ( -1.259 -0.356 -1.714) 2.156 2.396 ( -2.756 0.738 0.847) 2.977 2.443 ( -0.932 -0.702 4.601) 4.746 2.469 ( 0.709 1.250 -0.925) 1.709 2.509 ( 2.326 -2.581 0.088) 3.475 2.559 ( 0.886 2.431 3.134) 4.064 2.615 ( 0.275 -2.951 3.701) 4.741 2.687 ( 0.773 0.757 -0.547) 1.212 2.721 ( -0.007 -2.391 -3.090) 3.907 2.788 ( 0.210 1.662 -0.843) 1.875 2.805 ( -1.908 0.033 -4.476) 4.866 2.849 ( -1.059 2.676 -1.777) 3.383 2.895 ( 0.686 -1.007 -2.616) 2.886 2.980 ( -1.415 6.235 -1.888) 6.666 3.092 ( 0.009 6.318 3.437) 7.192 3.132 ( -2.793 -3.642 -3.631) 5.852 3.189 ( -0.886 0.453 5.218) 5.312 3.318 ( -6.449 1.330 1.313) 6.714 3.331 ( 1.300 1.036 -3.825) 4.171 3.356 ( -6.424 -3.959 3.054) 8.140 3.418 ( 1.843 -4.053 -5.944) 7.427 3.474 ( -4.530 0.362 0.925) 4.638 3.503 ( -4.740 -1.250 0.961) 4.995 3.604 ( -0.695 2.217 -0.409) 2.360 3.665 ( 0.002 -3.618 0.246) 3.626 3.744 ( -1.954 3.044 2.015) 4.141 3.773 ( -3.201 -0.027 0.528) 3.244 3.956 ( -1.463 1.532 -0.713) 2.235 3.982 ( -0.743 -0.909 -0.708) 1.371 4.209 ( -0.297 3.182 1.633) 3.588 4.270 ( -1.744 -2.938 2.661) 4.331 4.416 ( -8.003 4.622 -2.310) 9.526 4.499 ( -5.706 -4.469 -3.456) 8.029 4.643 ( 0.968 -0.198 0.047) 0.990 4.657 ( 0.909 -1.423 1.239) 2.095 4.866 ( -1.347 1.700 -0.826) 2.321 4.880 ( 1.118 -0.207 -3.033) 3.239 5.097 ( -0.122 3.562 -3.539) 5.023 5.139 ( -2.178 -1.192 2.931) 3.841 5.180 ( -2.961 0.209 -1.191) 3.199 5.230 ( 4.378 -4.994 0.750) 6.683 5.341 ( -1.740 0.546 2.958) 3.475 5.381 ( -3.544 -3.042 2.939) 5.518 5.557 ( -2.178 1.309 0.483) 2.587 5.607 ( -1.833 -4.014 0.421) 4.433 5.711 ( 3.401 5.633 1.891) 6.846 5.760 ( 1.641 2.378 -2.739) 3.982 5.830 ( 1.793 -5.475 -1.389) 5.927 5.846 ( 2.742 -7.613 -1.506) 8.231 6.074 ( 0.361 1.645 -1.172) 2.052 6.110 ( -1.452 -2.216 -0.458) 2.689 6.260 ( -2.370 3.034 -3.381) 5.124 6.309 ( -3.278 -1.917 -2.497) 4.545 6.408 ( 1.843 5.542 3.246) 6.682 6.490 ( 1.539 -2.838 4.534) 5.566 6.611 ( 0.720 6.755 -1.558) 6.970 6.726 ( 1.531 -5.042 -0.499) 5.293 6.858 ( -1.039 8.267 2.081) 8.588 7.004 ( -1.200 -7.064 1.650) 7.353 7.313 ( 1.908 4.500 -1.620) 5.149 7.373 ( -0.452 -1.721 -0.579) 1.872 8.480 ( 1.994 0.403 1.195) 2.359 8.495 ( 2.706 -1.233 0.734) 3.063 8.703 ( -0.360 0.319 -0.291) 0.562 8.712 ( -0.161 -0.576 -0.265) 0.655 8.792 ( 1.726 1.402 -1.419) 2.638 8.815 ( 1.024 -1.021 -1.467) 2.060 8.957 ( -1.570 3.234 -3.196) 4.810 9.011 ( -1.393 -2.523 0.245) 2.892 9.048 ( -3.809 1.246 0.448) 4.032 9.103 ( -2.574 -4.829 -0.240) 5.478 9.187 ( 4.086 1.750 0.216) 4.450 9.223 ( 3.371 -2.049 0.426) 3.968 9.391 ( 0.033 4.450 2.196) 4.963 9.461 ( 1.347 -2.492 3.898) 4.819 9.626 ( -1.686 0.670 3.452) 3.900 9.641 ( -1.735 0.524 2.315) 2.940 9.669 ( 2.321 0.746 -1.441) 2.832 9.713 ( 1.213 -2.917 0.547) 3.206 9.856 ( -0.579 3.098 1.356) 3.431 9.909 ( -0.354 -1.718 1.860) 2.557 9.991 ( -4.520 0.940 -1.343) 4.808 10.026 ( -3.364 -2.454 -3.261) 5.289 10.104 ( -4.990 1.345 1.204) 5.306 10.134 ( -3.338 -2.105 2.041) 4.443 10.382 ( -0.761 1.994 -2.414) 3.222 10.396 ( 2.134 0.616 -2.277) 3.181 10.576 ( -0.281 0.895 -3.006) 3.149 10.594 ( 2.254 -0.843 -2.915) 3.780 10.661 ( -0.736 1.628 -3.424) 3.862 10.700 ( 0.094 -2.198 -1.419) 2.618 10.982 ( 1.494 1.936 -1.411) 2.823 10.996 ( 2.137 0.569 -0.650) 2.305 11.188 ( -0.752 1.515 5.122) 5.394 11.236 ( 1.768 -3.247 4.108) 5.526 11.472 ( -1.927 3.765 -2.539) 4.933 11.537 ( -1.598 -3.344 -3.172) 4.878 12.200 ( -2.885 1.506 -3.737) 4.955 12.212 ( -1.861 0.424 -1.537) 2.451 12.286 ( -0.122 2.953 0.872) 3.081 12.335 ( 2.724 -2.271 2.566) 4.378 12.776 ( 2.675 3.597 1.486) 4.723 12.852 ( 3.204 -4.644 0.400) 5.656 13.054 ( -0.015 1.126 -0.045) 1.127 13.075 ( 0.323 -1.076 -0.393) 1.190 13.558 ( 0.423 3.397 0.876) 3.533 13.607 ( 0.176 -1.718 0.947) 1.969 13.772 ( -4.404 0.791 -7.788) 8.982 13.781 ( -3.461 -0.558 -5.369) 6.412 13.954 ( -4.056 3.860 1.833) 5.892 14.014 ( -3.091 -2.817 2.199) 4.725 14.244 ( -4.413 4.134 4.041) 7.273 14.303 ( -1.558 -2.237 3.590) 4.508 14.936 ( 2.785 1.607 1.791) 3.680 14.975 ( 3.262 -2.807 2.653) 5.056 15.155 ( 0.283 0.540 -1.446) 1.569 15.162 ( 1.870 -0.361 -0.330) 1.932 15.235 ( -2.368 0.648 -0.148) 2.459 15.257 ( -1.909 -1.849 -1.003) 2.841 15.373 ( -0.766 1.102 -0.463) 1.419 15.388 ( -0.196 -0.544 -0.659) 0.877 19.460 ( 9.617 0.169 -0.389) 9.626 19.469 ( 9.123 -0.756 -0.129) 9.155 19.768 ( 12.088 4.847 -2.079) 13.188 19.859 ( 14.833 -5.247 -8.414) 17.842 20.227 ( -0.619 1.446 -0.105) 1.576 20.258 ( -0.700 -2.012 0.841) 2.290 20.463 ( 0.420 4.665 2.918) 5.518 20.542 ( 0.208 -3.663 6.525) 7.486 21.124 ( -0.105 0.357 1.138) 1.198 21.167 ( 1.774 -4.325 2.534) 5.317 21.498 ( -1.958 6.894 -0.490) 7.184 21.617 ( -0.851 -2.347 0.262) 2.510 21.644 ( -2.330 -2.969 -0.876) 3.874 21.679 ( -0.644 -2.772 -0.507) 2.891 22.108 ( 6.337 0.496 -1.108) 6.452 22.115 ( 3.846 -0.005 -0.725) 3.913 22.171 ( 0.987 4.179 3.112) 5.303 22.266 ( 2.761 -4.798 1.373) 5.703 22.339 ( -5.563 7.358 3.577) 9.894 22.405 ( -2.595 -0.285 -0.987) 2.791 22.496 ( 1.018 -0.183 0.501) 1.149 22.561 ( -2.429 -5.870 0.166) 6.355 22.721 ( 1.354 0.503 -4.022) 4.273 22.746 ( 1.163 -2.752 -4.094) 5.069 23.005 ( 4.048 1.362 2.877) 5.150 23.046 ( 6.182 -3.332 2.955) 7.619 23.185 ( -1.409 3.447 -0.807) 3.810 23.258 ( -0.589 -4.163 -0.902) 4.300 23.489 ( 2.092 1.020 -0.584) 2.400 23.503 ( 2.185 -0.465 -0.618) 2.318 23.664 ( 0.780 3.153 0.787) 3.342 23.696 ( -0.674 -0.639 1.784) 2.011 23.749 ( -0.079 -0.524 1.248) 1.356 23.755 ( 0.350 -1.030 -1.238) 1.648 24.005 ( -1.017 4.425 -0.570) 4.576 24.081 ( -1.970 -3.557 -1.034) 4.195 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 13.229 9.475 -1.887) 16.381 1.072 ( 6.759 5.791 -4.177) 9.832 1.141 ( 11.484 0.895 1.732) 11.649 1.325 ( 5.341 -11.060 2.590) 12.552 1.431 ( 8.237 0.445 -1.923) 8.470 1.464 ( 6.094 -2.966 -1.611) 6.966 1.640 ( 12.330 4.795 5.734) 14.419 1.696 ( 2.366 0.098 1.580) 2.847 1.761 ( 2.358 1.590 -0.088) 2.845 1.835 ( 5.181 0.849 -4.989) 7.242 1.856 ( 0.524 -2.655 0.475) 2.748 1.899 ( 3.528 -1.542 -2.169) 4.419 1.943 ( 4.443 5.019 3.076) 7.375 1.997 ( -0.169 -1.471 2.811) 3.177 2.003 ( -0.932 -0.438 0.475) 1.134 2.019 ( -4.642 -1.447 1.593) 5.117 2.087 ( 2.565 2.102 1.859) 3.802 2.152 ( 7.810 -2.091 1.338) 8.195 2.207 ( 1.589 1.206 -3.327) 3.879 2.234 ( 3.383 -1.079 0.959) 3.679 2.255 ( 3.234 0.832 1.835) 3.811 2.289 ( 3.016 -0.304 1.394) 3.336 2.326 ( 2.989 -0.802 -0.210) 3.102 2.372 ( 5.682 1.722 2.156) 6.317 2.381 ( -0.754 -2.610 1.127) 2.941 2.466 ( 1.388 1.262 -0.152) 1.882 2.469 ( 0.870 -3.058 -1.606) 3.562 2.513 ( -0.413 -3.604 2.847) 4.611 2.590 ( -0.680 2.030 2.210) 3.077 2.653 ( -0.125 -1.695 1.135) 2.044 2.663 ( -4.535 0.842 -3.527) 5.806 2.709 ( -2.703 -2.317 1.102) 3.727 2.746 ( 0.642 3.381 -0.633) 3.499 2.809 ( 4.012 -3.179 0.399) 5.135 2.833 ( 3.022 4.077 -3.279) 6.042 2.874 ( 1.933 1.788 -4.831) 5.502 2.954 ( -1.118 0.539 -0.636) 1.395 3.054 ( -1.618 -5.370 -1.949) 5.937 3.121 ( -1.593 6.728 3.134) 7.591 3.190 ( -5.239 2.229 -3.597) 6.735 3.218 ( -0.915 0.620 3.069) 3.262 3.247 ( -4.273 -3.312 0.570) 5.436 3.332 ( -0.971 1.163 -2.242) 2.706 3.372 ( -7.652 -1.031 -0.534) 7.739 3.378 ( -4.717 1.296 1.195) 5.036 3.452 ( 1.711 -6.484 -2.327) 7.098 3.583 ( -1.799 3.401 0.173) 3.852 3.649 ( -2.077 -2.999 0.463) 3.677 3.719 ( -2.431 1.675 -0.851) 3.072 3.724 ( -2.112 0.483 1.810) 2.823 3.893 ( -4.954 2.266 -1.524) 5.657 3.930 ( -4.444 -1.226 -1.353) 4.805 4.149 ( -8.747 4.193 2.455) 10.005 4.215 ( -6.593 -2.947 2.565) 7.663 4.342 ( 1.576 3.621 0.015) 3.949 4.424 ( -0.158 -4.768 0.509) 4.798 4.637 ( -1.503 1.816 0.138) 2.361 4.678 ( -0.087 -2.322 0.688) 2.423 4.843 ( -0.291 2.142 -0.769) 2.294 4.885 ( 1.291 -2.349 -3.336) 4.280 5.043 ( -0.542 2.243 -6.621) 7.012 5.065 ( -2.938 0.094 -4.570) 5.434 5.192 ( 1.808 1.742 0.767) 2.625 5.221 ( -8.333 0.137 2.601) 8.730 5.304 ( -1.848 -3.497 2.824) 4.860 5.333 ( -2.936 -4.167 3.512) 6.190 5.557 ( 1.349 1.993 0.677) 2.500 5.604 ( 1.008 -3.298 0.461) 3.480 5.746 ( -0.141 5.363 0.038) 5.365 5.828 ( 4.244 0.522 0.577) 4.315 5.840 ( 0.006 -3.837 -0.676) 3.896 5.912 ( 3.634 -6.332 0.248) 7.305 6.036 ( -2.428 0.399 -2.496) 3.505 6.046 ( -4.710 -0.921 -1.731) 5.102 6.165 ( -3.648 2.111 -3.405) 5.419 6.201 ( -5.368 -1.347 -2.316) 6.000 6.452 ( 0.520 4.946 2.507) 5.569 6.542 ( 0.896 -4.434 3.889) 5.966 6.668 ( 6.012 7.739 -2.553) 10.127 6.796 ( 3.941 -4.948 -0.794) 6.375 6.858 ( 1.318 7.616 2.361) 8.082 6.996 ( -1.239 -6.140 3.548) 7.199 7.332 ( 0.753 2.434 -0.531) 2.603 7.357 ( -0.388 -0.081 -1.520) 1.570 8.526 ( 1.903 0.963 0.930) 2.327 8.548 ( 1.925 -1.504 1.512) 2.873 8.693 ( -0.586 1.173 -0.342) 1.355 8.708 ( -0.110 -0.388 0.006) 0.403 8.795 ( 0.726 1.883 -2.675) 3.351 8.823 ( 1.291 -1.347 -2.126) 2.829 8.947 ( 1.643 1.880 -1.667) 3.003 8.990 ( -2.927 0.943 1.034) 3.244 9.004 ( 1.042 -2.848 -0.525) 3.078 9.060 ( -1.949 -5.358 1.859) 5.997 9.279 ( 5.256 1.071 1.249) 5.508 9.302 ( 4.276 -1.320 1.403) 4.690 9.391 ( -0.698 5.269 0.379) 5.329 9.480 ( -1.165 -3.967 2.050) 4.615 9.596 ( -4.687 0.670 1.783) 5.060 9.606 ( -4.548 -0.440 3.598) 5.816 9.716 ( 3.006 1.481 -0.016) 3.352 9.751 ( 2.648 -2.019 0.213) 3.337 9.857 ( -1.157 1.891 0.583) 2.292 9.896 ( -2.628 -1.792 0.877) 3.299 9.942 ( -1.488 1.278 1.697) 2.593 9.972 ( -0.792 -1.695 1.498) 2.397 10.020 ( -2.795 2.275 -0.795) 3.691 10.070 ( -3.869 -2.894 0.062) 4.832 10.308 ( -4.371 2.483 -5.430) 7.399 10.340 ( -3.169 -0.410 -5.321) 6.207 10.603 ( 2.397 0.340 -2.836) 3.729 10.615 ( 2.581 -0.978 -4.479) 5.262 10.667 ( 2.276 2.315 1.818) 3.720 10.714 ( 2.575 -2.835 2.267) 4.450 11.013 ( 3.428 2.230 -1.671) 4.418 11.031 ( 2.584 0.713 -1.317) 2.987 11.232 ( 1.611 4.236 4.958) 6.717 11.328 ( 4.407 -5.515 4.467) 8.354 11.394 ( -4.537 3.852 -3.165) 6.741 11.457 ( -4.575 -3.006 -4.827) 7.299 12.121 ( -3.208 1.869 -3.109) 4.843 12.150 ( -3.306 -1.182 -2.015) 4.049 12.312 ( 1.597 6.183 1.449) 6.549 12.410 ( 3.346 -4.384 2.603) 6.098 12.816 ( 0.697 3.073 0.803) 3.252 12.877 ( -0.147 -3.615 -0.110) 3.620 13.059 ( 0.647 1.392 -0.329) 1.570 13.083 ( 0.925 -1.196 -0.457) 1.580 13.575 ( 0.481 3.466 1.641) 3.865 13.601 ( -2.391 2.001 -0.738) 3.204 13.665 ( -0.759 -0.911 -3.809) 3.990 13.682 ( -3.264 -1.883 -5.060) 6.309 13.916 ( -2.495 2.860 2.620) 4.612 13.965 ( -3.841 -2.479 1.940) 4.966 14.218 ( -1.609 5.323 3.197) 6.414 14.307 ( -0.842 -4.107 3.659) 5.564 14.961 ( -0.453 1.578 0.941) 1.893 14.994 ( -1.122 -2.014 0.796) 2.439 15.146 ( -0.102 1.963 -2.440) 3.134 15.179 ( -1.455 -1.154 -2.060) 2.773 15.198 ( -1.139 0.302 -1.114) 1.622 15.217 ( -1.830 -1.397 -0.631) 2.387 15.358 ( 0.838 2.558 0.559) 2.749 15.405 ( 1.377 -2.568 1.727) 3.387 19.676 ( 13.301 0.222 0.301) 13.306 19.687 ( 13.882 -0.916 0.003) 13.912 19.977 ( 12.208 4.168 -2.907) 13.223 20.042 ( 11.842 -2.805 -7.575) 14.335 20.211 ( -1.228 1.256 0.221) 1.771 20.247 ( -1.409 -2.763 1.932) 3.654 20.493 ( 0.599 4.848 2.463) 5.470 20.560 ( -2.150 -1.807 3.938) 4.837 21.135 ( 0.684 1.069 0.804) 1.502 21.200 ( -0.118 -5.737 2.126) 6.120 21.466 ( -0.977 6.920 -0.268) 6.994 21.585 ( -3.419 1.290 -1.022) 3.795 21.609 ( 0.006 -6.225 -0.260) 6.230 21.659 ( -1.215 -4.551 0.242) 4.716 22.120 ( -1.975 2.488 0.548) 3.224 22.150 ( -1.924 0.106 0.091) 1.929 22.261 ( 6.903 5.410 0.551) 8.787 22.296 ( 0.356 2.664 1.199) 2.943 22.357 ( -1.774 -1.106 -0.222) 2.102 22.395 ( 7.605 -4.573 2.988) 9.363 22.512 ( 0.547 -0.577 0.720) 1.072 22.548 ( 0.842 -3.664 -0.157) 3.762 22.708 ( -0.373 -0.503 -3.018) 3.082 22.725 ( -1.276 -1.924 -1.511) 2.759 23.096 ( 3.588 3.063 2.539) 5.357 23.143 ( -1.925 2.227 -1.184) 3.172 23.156 ( 3.465 -3.141 0.927) 4.768 23.233 ( -0.932 -5.581 -1.389) 5.826 23.522 ( 2.002 1.638 -1.087) 2.806 23.546 ( 2.673 -0.834 -0.583) 2.860 23.682 ( 0.518 2.888 -0.028) 2.934 23.696 ( -0.915 1.014 3.720) 3.963 23.749 ( 0.366 -1.398 -2.583) 2.959 23.758 ( 0.193 -2.429 1.372) 2.796 23.985 ( -0.723 3.643 -0.416) 3.738 24.037 ( -1.991 -1.808 -0.901) 2.837 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 5.813 3.119 -0.879) 6.656 1.147 ( 5.091 1.514 -4.665) 7.069 1.324 ( 5.615 3.956 5.243) 8.641 1.400 ( 1.817 -4.998 0.346) 5.329 1.506 ( 2.917 6.076 0.047) 6.740 1.606 ( 6.277 -4.177 3.280) 8.223 1.686 ( -2.923 4.586 -2.640) 6.045 1.725 ( -1.147 0.372 -0.869) 1.486 1.782 ( 1.327 -2.770 0.246) 3.081 1.830 ( -4.181 -2.207 -2.130) 5.186 1.897 ( 3.020 1.179 -3.499) 4.770 1.917 ( 0.657 -1.033 0.709) 1.414 1.932 ( 0.657 -0.444 -1.704) 1.880 1.958 ( -1.518 -4.187 -0.761) 4.518 2.021 ( -1.535 5.323 4.895) 7.393 2.088 ( 2.860 -1.481 3.296) 4.609 2.195 ( 6.295 1.669 3.220) 7.265 2.243 ( 2.677 -0.503 0.418) 2.756 2.274 ( -0.932 -0.125 1.469) 1.745 2.289 ( 4.856 1.995 -0.480) 5.271 2.323 ( 3.993 -2.075 -0.152) 4.502 2.342 ( -0.339 -1.120 2.001) 2.318 2.369 ( 1.490 -1.419 -0.555) 2.131 2.386 ( 1.041 -2.352 -0.126) 2.575 2.431 ( 1.516 1.767 -1.473) 2.755 2.472 ( -1.376 -2.558 -1.721) 3.376 2.495 ( 1.344 1.663 2.122) 3.013 2.522 ( -3.958 1.118 -3.341) 5.299 2.577 ( 1.753 0.279 -0.422) 1.824 2.599 ( 6.698 -4.384 0.192) 8.008 2.662 ( -0.731 1.563 2.275) 2.855 2.696 ( -2.552 -1.117 1.702) 3.264 2.741 ( 0.287 3.114 -1.142) 3.329 2.828 ( 1.110 -4.873 -0.848) 5.069 2.870 ( -1.694 2.768 0.492) 3.282 2.911 ( 0.837 -0.098 -0.573) 1.019 3.016 ( 3.130 0.962 1.013) 3.427 3.039 ( 2.854 -1.640 0.001) 3.292 3.076 ( -1.815 1.699 -1.722) 3.024 3.110 ( -0.608 0.257 -1.374) 1.525 3.159 ( -4.328 1.870 0.784) 4.779 3.225 ( -2.281 -5.572 -0.523) 6.044 3.275 ( -0.924 3.104 -0.107) 3.240 3.294 ( -0.996 1.285 -0.466) 1.691 3.359 ( 1.289 2.221 -0.372) 2.595 3.450 ( -1.619 -5.811 -0.982) 6.112 3.554 ( -0.552 3.558 0.130) 3.603 3.608 ( -2.142 -2.094 0.541) 3.044 3.691 ( -0.284 1.078 -0.599) 1.265 3.705 ( -0.064 -1.025 -0.259) 1.059 3.783 ( -5.309 4.463 -0.416) 6.948 3.830 ( -4.861 -0.486 -0.643) 4.928 4.032 ( -4.253 3.521 1.128) 5.636 4.114 ( -4.170 -5.518 0.345) 6.925 4.415 ( 4.054 3.130 2.953) 5.912 4.475 ( 2.279 -3.283 4.278) 5.855 4.588 ( -2.365 2.243 -2.752) 4.266 4.628 ( -4.090 -1.664 -3.196) 5.451 4.871 ( 2.569 1.536 1.531) 3.362 4.896 ( 2.190 -0.962 -0.964) 2.579 5.017 ( 0.540 1.602 -3.219) 3.636 5.041 ( 1.899 0.300 -3.238) 3.766 5.080 ( -5.120 0.901 0.563) 5.229 5.156 ( -7.536 -5.671 2.309) 9.710 5.289 ( 1.428 2.333 0.411) 2.766 5.361 ( 1.756 -4.706 -0.161) 5.025 5.584 ( 0.985 2.523 0.049) 2.709 5.635 ( 1.464 -2.544 0.501) 2.977 5.717 ( -2.584 5.328 0.531) 5.946 5.821 ( -1.765 -3.082 0.709) 3.622 5.847 ( -1.485 0.611 -0.059) 1.606 5.933 ( 0.006 -4.818 2.053) 5.237 5.975 ( -1.269 0.347 -2.060) 2.444 6.009 ( -0.052 -2.129 -1.883) 2.842 6.123 ( 0.127 0.798 -1.657) 1.844 6.131 ( -1.297 -0.735 -0.456) 1.559 6.470 ( 0.290 5.217 0.957) 5.312 6.574 ( 0.586 -5.651 1.428) 5.858 6.739 ( 4.426 7.627 -3.983) 9.676 6.789 ( -3.318 4.806 3.326) 6.721 6.946 ( 5.814 -2.801 -3.159) 7.185 7.001 ( -2.011 -6.060 4.619) 7.880 7.333 ( -0.663 2.388 1.745) 3.031 7.344 ( 0.322 1.212 -2.388) 2.697 8.551 ( 0.605 0.774 0.188) 1.001 8.572 ( 0.145 -1.579 0.777) 1.766 8.683 ( -0.250 1.897 -0.162) 1.920 8.707 ( -0.072 -0.471 0.011) 0.477 8.798 ( 0.918 1.805 -1.262) 2.386 8.832 ( 0.467 -2.089 -0.759) 2.271 8.965 ( 0.557 0.474 0.610) 0.953 8.975 ( 0.390 -0.242 0.187) 0.496 9.029 ( 1.825 -1.395 -0.851) 2.450 9.051 ( -0.908 -3.587 1.360) 3.942 9.355 ( 1.902 2.789 0.399) 3.399 9.377 ( 3.591 -0.373 0.891) 3.719 9.393 ( 0.473 1.835 0.724) 2.028 9.462 ( -2.062 -4.471 0.657) 4.967 9.515 ( -3.356 1.575 0.230) 3.715 9.535 ( -3.348 -0.723 -0.293) 3.438 9.757 ( 1.313 1.461 1.197) 2.300 9.791 ( 0.575 -1.313 -0.356) 1.477 9.817 ( -1.469 1.046 0.138) 1.809 9.863 ( -1.367 -4.677 -0.796) 4.938 9.939 ( -0.405 3.725 1.690) 4.111 9.960 ( -1.275 1.819 1.802) 2.860 10.027 ( 0.119 -1.493 -0.857) 1.725 10.039 ( 1.277 -2.898 1.862) 3.674 10.203 ( -2.915 3.320 -4.084) 6.016 10.272 ( -1.236 -3.528 -2.642) 4.578 10.611 ( 0.545 0.070 -1.006) 1.146 10.618 ( 0.405 -0.790 -1.963) 2.155 10.735 ( 2.602 3.466 2.389) 4.949 10.779 ( 1.422 -1.584 1.672) 2.707 11.067 ( 2.246 2.879 -0.950) 3.773 11.088 ( 5.029 0.078 0.142) 5.032 11.260 ( -1.740 3.547 -0.010) 3.951 11.299 ( -4.039 0.998 -2.849) 5.042 11.337 ( -2.602 1.265 -0.485) 2.934 11.426 ( 2.315 -6.304 1.855) 6.967 12.062 ( -1.589 1.527 -1.278) 2.548 12.092 ( -1.719 -1.622 -0.935) 2.541 12.342 ( 0.770 7.770 0.620) 7.833 12.467 ( 1.401 -5.607 1.070) 5.878 12.819 ( -0.205 2.370 0.168) 2.385 12.866 ( -0.527 -2.725 -0.127) 2.779 13.068 ( 0.424 1.968 -0.150) 2.019 13.096 ( 0.574 -1.124 -0.112) 1.267 13.549 ( -1.345 3.532 -1.167) 3.956 13.592 ( 0.013 3.121 2.086) 3.754 13.613 ( -1.106 -1.723 -3.169) 3.773 13.671 ( 0.827 -3.468 -0.114) 3.567 13.898 ( -0.790 1.305 1.225) 1.956 13.916 ( -2.164 -0.677 0.356) 2.295 14.218 ( -0.296 5.414 1.279) 5.571 14.315 ( -0.262 -4.779 1.506) 5.017 14.955 ( -0.432 1.398 0.395) 1.516 14.980 ( -0.624 -1.272 0.337) 1.456 15.119 ( -1.032 1.117 -1.632) 2.230 15.139 ( -1.164 -0.932 -1.265) 1.955 15.161 ( -0.795 1.513 -0.799) 1.887 15.190 ( -0.947 -1.582 -0.213) 1.856 15.400 ( 2.001 1.448 0.689) 2.564 15.432 ( 0.259 -1.827 1.025) 2.111 19.861 ( 6.130 0.589 0.226) 6.162 19.876 ( 6.101 -1.112 0.083) 6.202 20.126 ( 6.280 4.297 -2.559) 8.028 20.162 ( 4.206 0.679 -2.280) 4.832 20.191 ( -0.130 -0.197 -0.671) 0.712 20.242 ( -0.873 -4.169 2.709) 5.048 20.505 ( -0.242 3.295 0.482) 3.339 20.534 ( -1.919 0.336 1.451) 2.429 21.158 ( 1.528 0.032 0.081) 1.531 21.190 ( -1.773 -3.104 0.697) 3.642 21.470 ( 1.518 5.816 0.171) 6.013 21.518 ( -3.329 3.500 -0.726) 4.885 21.611 ( 0.364 -4.695 -0.643) 4.753 21.647 ( -0.512 -8.208 0.828) 8.266 22.086 ( -1.453 2.953 0.477) 3.325 22.115 ( -1.356 0.780 0.044) 1.565 22.306 ( -0.006 3.466 0.446) 3.495 22.346 ( 1.143 0.518 0.188) 1.269 22.356 ( 1.882 0.800 -0.220) 2.057 22.512 ( 1.175 -8.891 0.682) 8.994 22.549 ( 5.266 2.677 0.481) 5.927 22.583 ( 2.484 -0.900 0.066) 2.643 22.669 ( -2.033 -1.201 -1.293) 2.692 22.686 ( -2.785 -1.435 0.424) 3.161 23.096 ( -1.374 3.570 -0.403) 3.847 23.152 ( -0.194 -2.029 0.219) 2.050 23.171 ( 0.643 0.216 -0.319) 0.749 23.241 ( 1.205 -5.291 0.095) 5.427 23.541 ( 0.729 1.934 -0.494) 2.125 23.575 ( 0.816 -1.593 -0.223) 1.803 23.682 ( -0.021 3.821 -0.138) 3.823 23.712 ( -0.262 1.783 3.051) 3.543 23.737 ( 0.350 -1.633 -2.689) 3.165 23.771 ( 0.325 -3.680 0.583) 3.740 23.975 ( -0.199 2.884 -0.122) 2.894 24.007 ( -0.844 -0.546 -0.277) 1.043 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 4.263 0.000 18.143) 18.637 0.394 ( -2.713 0.000 19.720) 19.906 0.622 ( -6.130 0.000 29.352) 29.985 1.191 ( -8.766 0.000 -12.786) 15.503 1.218 ( 5.227 0.000 -8.329) 9.834 1.471 ( 1.713 0.000 -3.271) 3.692 1.561 ( 6.062 0.000 1.564) 6.261 1.593 ( 0.212 0.000 -3.140) 3.147 1.720 ( -0.301 0.000 0.269) 0.403 1.731 ( 2.909 0.000 7.333) 7.889 1.733 ( -1.090 0.000 -3.514) 3.679 1.815 ( -3.085 0.000 6.800) 7.467 1.928 ( 0.073 0.000 -1.911) 1.913 1.933 ( -0.615 0.000 -0.380) 0.723 2.015 ( 0.939 0.000 4.222) 4.325 2.064 ( -0.863 0.000 -0.750) 1.143 2.087 ( 0.293 0.000 -0.119) 0.317 2.118 ( 5.983 0.000 -1.544) 6.179 2.159 ( 2.585 0.000 0.458) 2.625 2.171 ( -2.510 0.000 -3.824) 4.574 2.184 ( -2.205 0.000 -0.570) 2.278 2.255 ( -3.071 0.000 2.608) 4.029 2.325 ( -4.148 0.000 5.360) 6.778 2.376 ( 2.145 0.000 0.656) 2.243 2.386 ( -3.321 0.000 1.773) 3.764 2.408 ( -3.903 0.000 4.695) 6.106 2.525 ( 4.632 0.000 1.437) 4.850 2.550 ( 0.098 0.000 -2.220) 2.222 2.583 ( -4.048 0.000 -5.545) 6.865 2.596 ( 0.824 0.000 2.119) 2.273 2.610 ( 0.266 0.000 0.549) 0.610 2.717 ( 0.327 0.000 3.199) 3.215 2.777 ( 1.007 0.000 -2.407) 2.609 2.801 ( -1.034 0.000 -3.093) 3.262 2.841 ( 2.191 0.000 -0.881) 2.362 2.856 ( -3.929 0.000 0.974) 4.048 2.986 ( 0.739 0.000 3.947) 4.016 3.030 ( 1.476 0.000 6.016) 6.194 3.116 ( -0.093 0.000 1.166) 1.170 3.202 ( -0.761 0.000 1.181) 1.405 3.294 ( 4.566 0.000 -2.389) 5.153 3.357 ( -6.754 0.000 1.086) 6.841 3.449 ( -3.460 0.000 1.029) 3.610 3.451 ( -0.179 0.000 -2.773) 2.779 3.519 ( 4.139 0.000 0.120) 4.140 3.593 ( -0.311 0.000 -4.756) 4.766 3.673 ( -5.036 0.000 -0.082) 5.037 3.699 ( 5.365 0.000 -3.656) 6.492 3.736 ( 3.930 0.000 2.881) 4.873 3.790 ( -0.050 0.000 2.416) 2.416 3.936 ( -2.668 0.000 -0.795) 2.784 3.971 ( -3.991 0.000 0.331) 4.004 4.236 ( 9.740 0.000 -3.352) 10.300 4.311 ( 3.628 0.000 -1.351) 3.871 4.383 ( -3.850 0.000 -1.086) 4.000 4.510 ( 2.471 0.000 -6.683) 7.125 4.751 ( -2.209 0.000 -3.449) 4.096 4.775 ( -5.211 0.000 -3.850) 6.479 4.834 ( -1.942 0.000 -0.478) 2.000 4.859 ( -6.965 0.000 -1.942) 7.231 5.075 ( -10.188 0.000 5.338) 11.502 5.205 ( 11.595 0.000 3.664) 12.160 5.267 ( 2.117 0.000 -0.081) 2.118 5.395 ( 3.305 0.000 2.119) 3.927 5.396 ( 2.761 0.000 3.769) 4.672 5.501 ( 0.850 0.000 -3.904) 3.995 5.538 ( -11.377 0.000 -2.255) 11.598 5.603 ( 9.671 0.000 0.488) 9.683 5.640 ( 3.971 0.000 -6.083) 7.265 5.750 ( 0.504 0.000 -4.636) 4.663 5.935 ( -2.924 0.000 0.485) 2.964 5.965 ( 0.098 0.000 0.219) 0.240 6.067 ( -5.322 0.000 6.948) 8.752 6.134 ( -1.969 0.000 -1.671) 2.582 6.224 ( -1.231 0.000 -3.824) 4.017 6.298 ( 0.494 0.000 -0.453) 0.670 6.369 ( 2.668 0.000 -1.003) 2.850 6.438 ( -2.293 0.000 2.109) 3.115 6.527 ( 0.289 0.000 6.585) 6.591 6.600 ( -1.279 0.000 5.539) 5.684 6.800 ( 3.411 0.000 -4.337) 5.518 7.024 ( 2.295 0.000 -5.702) 6.146 7.291 ( -12.557 0.000 3.494) 13.034 7.395 ( 1.567 0.000 0.535) 1.655 8.498 ( 1.732 0.000 2.883) 3.363 8.533 ( -3.811 0.000 4.413) 5.830 8.703 ( -0.313 0.000 -1.193) 1.233 8.724 ( 0.163 0.000 -1.380) 1.389 8.763 ( -10.286 0.000 -2.830) 10.669 8.838 ( -0.693 0.000 -0.481) 0.843 8.885 ( -5.126 0.000 -5.522) 7.534 8.986 ( 2.879 0.000 6.371) 6.991 9.004 ( 4.179 0.000 -3.354) 5.359 9.095 ( -1.080 0.000 4.638) 4.763 9.192 ( 3.252 0.000 -2.245) 3.952 9.294 ( -0.034 0.000 3.309) 3.309 9.370 ( -2.685 0.000 5.406) 6.036 9.465 ( 5.076 0.000 2.918) 5.855 9.517 ( 4.547 0.000 -6.370) 7.826 9.705 ( 0.230 0.000 2.215) 2.227 9.706 ( 2.386 0.000 -2.958) 3.800 9.740 ( -1.079 0.000 2.752) 2.955 9.839 ( -0.854 0.000 0.993) 1.310 9.924 ( 1.334 0.000 1.395) 1.930 9.967 ( 1.572 0.000 -1.893) 2.461 10.084 ( -0.126 0.000 -5.209) 5.211 10.203 ( -0.673 0.000 1.330) 1.490 10.214 ( -1.721 0.000 0.271) 1.742 10.340 ( -2.039 0.000 -0.557) 2.113 10.344 ( -3.620 0.000 -4.561) 5.822 10.458 ( 3.365 0.000 0.426) 3.392 10.526 ( -1.603 0.000 -0.738) 1.765 10.651 ( -8.121 0.000 -3.956) 9.033 10.673 ( -1.844 0.000 -1.294) 2.253 10.938 ( -0.003 0.000 0.338) 0.338 10.939 ( 0.354 0.000 0.708) 0.792 11.253 ( 5.520 0.000 6.731) 8.705 11.357 ( -2.802 0.000 -1.013) 2.979 11.386 ( -1.957 0.000 -1.142) 2.266 11.613 ( -2.855 0.000 -2.488) 3.787 12.089 ( -0.360 0.000 -2.501) 2.527 12.125 ( -0.217 0.000 -2.703) 2.712 12.272 ( -3.631 0.000 1.252) 3.841 12.317 ( 3.679 0.000 0.194) 3.684 12.727 ( 0.221 0.000 5.280) 5.285 12.913 ( -1.066 0.000 3.412) 3.574 13.030 ( 1.712 0.000 -0.704) 1.851 13.071 ( -0.705 0.000 -1.806) 1.939 13.468 ( 0.549 0.000 0.286) 0.619 13.478 ( -0.844 0.000 -0.114) 0.852 13.674 ( 0.660 0.000 -3.178) 3.246 13.814 ( -2.659 0.000 -3.143) 4.117 13.959 ( -2.275 0.000 7.927) 8.247 14.054 ( 1.632 0.000 -0.181) 1.642 14.313 ( 4.571 0.000 0.313) 4.582 14.321 ( 1.192 0.000 -1.292) 1.758 14.904 ( 1.300 0.000 2.861) 3.142 15.012 ( 13.937 0.000 1.101) 13.980 15.072 ( -0.917 0.000 -0.733) 1.174 15.219 ( 0.708 0.000 1.383) 1.554 15.240 ( -1.969 0.000 -3.211) 3.766 15.288 ( 0.983 0.000 -2.737) 2.908 15.314 ( 4.149 0.000 0.898) 4.245 15.406 ( -2.762 0.000 0.037) 2.762 19.378 ( -1.760 0.000 0.175) 1.769 19.405 ( 1.130 0.000 -0.621) 1.289 19.544 ( 1.313 0.000 1.376) 1.902 19.657 ( -18.725 0.000 -1.356) 18.774 20.213 ( -0.325 0.000 1.324) 1.363 20.330 ( -0.382 0.000 -1.183) 1.243 20.412 ( 1.571 0.000 6.101) 6.300 20.927 ( -15.385 0.000 -6.516) 16.708 21.196 ( 0.528 0.000 0.383) 0.653 21.300 ( 0.521 0.000 -2.024) 2.090 21.418 ( 5.794 0.000 5.449) 7.953 21.730 ( 1.004 0.000 1.504) 1.808 21.767 ( -1.471 0.000 -3.676) 3.959 21.948 ( 5.180 0.000 -2.271) 5.656 21.981 ( 25.127 0.000 4.143) 25.467 22.078 ( 3.243 0.000 0.041) 3.243 22.093 ( -6.752 0.000 0.093) 6.753 22.118 ( 2.503 0.000 0.666) 2.590 22.291 ( 2.306 0.000 -1.021) 2.522 22.405 ( -16.161 0.000 -1.323) 16.215 22.484 ( -0.395 0.000 2.454) 2.486 22.585 ( 1.684 0.000 -0.507) 1.759 22.806 ( -11.180 0.000 -0.660) 11.199 22.807 ( -1.456 0.000 1.060) 1.802 22.999 ( 3.316 0.000 1.234) 3.538 23.109 ( 0.773 0.000 -2.404) 2.525 23.183 ( 2.465 0.000 0.665) 2.553 23.245 ( -1.197 0.000 0.357) 1.249 23.459 ( 1.203 0.000 -0.471) 1.292 23.473 ( -0.642 0.000 -1.294) 1.445 23.714 ( 1.029 0.000 -0.046) 1.030 23.728 ( -0.123 0.000 -0.232) 0.262 23.791 ( 0.070 0.000 1.372) 1.374 23.898 ( -1.151 0.000 -0.656) 1.325 23.910 ( 1.639 0.000 1.637) 2.317 24.074 ( -5.650 0.000 -1.910) 5.964 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 9.781 0.000 9.058) 13.331 0.615 ( 7.710 0.000 18.721) 20.247 0.960 ( 22.340 0.000 8.798) 24.010 1.044 ( 1.588 0.000 -6.927) 7.107 1.322 ( 10.397 0.000 -0.201) 10.399 1.543 ( 8.567 0.000 -4.722) 9.782 1.576 ( 1.577 0.000 -5.144) 5.381 1.663 ( 5.165 0.000 -1.471) 5.371 1.710 ( -0.906 0.000 4.055) 4.155 1.750 ( 4.994 0.000 -1.704) 5.277 1.858 ( 4.886 0.000 5.421) 7.298 1.865 ( 3.673 0.000 -1.757) 4.071 1.951 ( 2.244 0.000 -1.316) 2.601 1.969 ( 2.345 0.000 8.304) 8.629 1.977 ( -5.841 0.000 -1.220) 5.967 2.006 ( -1.311 0.000 2.143) 2.512 2.085 ( -3.198 0.000 0.764) 3.288 2.121 ( -3.022 0.000 -2.114) 3.688 2.186 ( 5.529 0.000 -1.271) 5.673 2.216 ( 1.299 0.000 -0.873) 1.565 2.250 ( 7.286 0.000 1.395) 7.418 2.279 ( 2.654 0.000 1.174) 2.902 2.314 ( 0.741 0.000 6.904) 6.944 2.315 ( -2.062 0.000 -1.019) 2.300 2.390 ( -1.240 0.000 4.639) 4.802 2.392 ( -0.451 0.000 -1.085) 1.174 2.501 ( 0.111 0.000 -5.306) 5.307 2.523 ( -1.040 0.000 -2.624) 2.823 2.597 ( 2.232 0.000 1.897) 2.929 2.635 ( 2.166 0.000 2.306) 3.164 2.664 ( 3.212 0.000 2.329) 3.967 2.716 ( -1.256 0.000 -2.657) 2.939 2.740 ( -2.835 0.000 -3.172) 4.254 2.767 ( -0.059 0.000 -1.882) 1.883 2.799 ( -3.382 0.000 2.356) 4.122 2.869 ( 1.036 0.000 1.333) 1.688 3.031 ( 1.284 0.000 4.586) 4.762 3.108 ( 1.259 0.000 7.135) 7.245 3.118 ( 0.130 0.000 0.638) 0.651 3.187 ( -1.742 0.000 -0.635) 1.855 3.225 ( -7.832 0.000 5.130) 9.362 3.344 ( -0.204 0.000 0.167) 0.263 3.385 ( -1.048 0.000 -0.457) 1.144 3.387 ( -5.123 0.000 -2.994) 5.934 3.513 ( -9.176 0.000 -4.582) 10.257 3.537 ( -2.668 0.000 -3.903) 4.727 3.560 ( 0.679 0.000 0.064) 0.682 3.714 ( -3.820 0.000 -1.522) 4.112 3.793 ( 1.081 0.000 -0.307) 1.124 3.813 ( 2.093 0.000 3.182) 3.809 3.888 ( -5.263 0.000 -0.783) 5.321 3.889 ( -3.566 0.000 0.295) 3.578 4.244 ( -8.024 0.000 0.553) 8.043 4.274 ( -3.926 0.000 -1.943) 4.381 4.348 ( 0.417 0.000 -0.541) 0.683 4.502 ( 1.362 0.000 -5.858) 6.014 4.671 ( 0.516 0.000 0.605) 0.795 4.704 ( -6.531 0.000 -1.514) 6.705 4.733 ( 2.544 0.000 -4.087) 4.814 4.847 ( 0.604 0.000 1.779) 1.879 4.961 ( -5.592 0.000 0.307) 5.600 5.243 ( -4.356 0.000 5.950) 7.374 5.292 ( -13.763 0.000 -1.284) 13.823 5.380 ( 0.445 0.000 4.835) 4.855 5.414 ( 0.872 0.000 0.207) 0.897 5.447 ( -1.817 0.000 -3.214) 3.692 5.511 ( 6.508 0.000 4.057) 7.669 5.667 ( 2.590 0.000 -5.550) 6.124 5.694 ( -1.250 0.000 -5.647) 5.784 5.738 ( 3.518 0.000 -2.313) 4.210 5.957 ( 4.502 0.000 -1.274) 4.679 6.002 ( 4.713 0.000 1.428) 4.925 6.034 ( -1.196 0.000 3.967) 4.143 6.125 ( 0.166 0.000 0.298) 0.341 6.179 ( -2.208 0.000 -0.985) 2.418 6.218 ( -8.579 0.000 1.094) 8.649 6.377 ( -4.272 0.000 -1.892) 4.672 6.443 ( 3.674 0.000 -3.751) 5.251 6.616 ( 4.672 0.000 5.596) 7.290 6.636 ( 0.638 0.000 5.640) 5.676 6.813 ( 1.431 0.000 -4.465) 4.689 7.053 ( 6.510 0.000 -8.143) 10.425 7.180 ( -5.654 0.000 4.762) 7.393 7.419 ( 0.071 0.000 2.971) 2.971 8.505 ( -1.948 0.000 3.356) 3.880 8.575 ( 3.876 0.000 3.889) 5.490 8.686 ( -1.471 0.000 0.452) 1.539 8.707 ( 0.660 0.000 -1.889) 2.001 8.710 ( 0.036 0.000 -1.456) 1.457 8.816 ( 1.056 0.000 -4.395) 4.520 8.855 ( 2.756 0.000 1.322) 3.057 9.021 ( 1.766 0.000 -5.535) 5.810 9.035 ( -2.828 0.000 6.553) 7.137 9.145 ( 4.478 0.000 0.374) 4.493 9.238 ( 2.628 0.000 -0.639) 2.705 9.338 ( -0.434 0.000 6.802) 6.816 9.348 ( -1.152 0.000 3.401) 3.591 9.500 ( -0.106 0.000 -8.177) 8.178 9.567 ( 3.365 0.000 -0.761) 3.450 9.672 ( -3.980 0.000 2.257) 4.576 9.724 ( 2.545 0.000 0.074) 2.546 9.774 ( 1.051 0.000 3.348) 3.509 9.814 ( -0.941 0.000 0.122) 0.949 9.950 ( -0.496 0.000 -6.632) 6.651 9.984 ( 0.120 0.000 -0.018) 0.121 10.059 ( 1.926 0.000 0.394) 1.966 10.139 ( -4.032 0.000 -1.325) 4.244 10.141 ( -8.525 0.000 1.680) 8.689 10.257 ( -5.127 0.000 -1.014) 5.226 10.270 ( -1.215 0.000 1.706) 2.094 10.538 ( 1.805 0.000 -3.264) 3.730 10.553 ( 1.003 0.000 -2.462) 2.658 10.559 ( 3.215 0.000 1.494) 3.545 10.687 ( 6.413 0.000 -0.289) 6.419 10.949 ( 0.053 0.000 0.867) 0.869 10.951 ( 0.171 0.000 1.514) 1.524 11.308 ( -2.384 0.000 4.132) 4.770 11.311 ( -4.386 0.000 -3.120) 5.382 11.408 ( 5.602 0.000 6.629) 8.679 11.524 ( -4.484 0.000 -5.715) 7.264 12.069 ( -0.473 0.000 -0.806) 0.934 12.099 ( -0.303 0.000 -3.851) 3.863 12.217 ( -2.781 0.000 0.920) 2.929 12.413 ( 6.100 0.000 0.781) 6.150 12.779 ( 0.811 0.000 4.590) 4.661 12.968 ( 2.283 0.000 -0.516) 2.340 13.029 ( -1.884 0.000 0.393) 1.925 13.065 ( 2.031 0.000 -2.642) 3.332 13.460 ( -0.845 0.000 -0.422) 0.944 13.484 ( 0.849 0.000 0.577) 1.026 13.680 ( 1.258 0.000 0.727) 1.453 13.732 ( -3.073 0.000 -4.752) 5.659 13.945 ( -3.711 0.000 6.094) 7.135 14.084 ( 1.093 0.000 1.067) 1.528 14.203 ( -9.111 0.000 -0.389) 9.119 14.387 ( 2.778 0.000 1.073) 2.978 14.959 ( 0.904 0.000 4.118) 4.216 15.057 ( 0.292 0.000 -1.992) 2.014 15.120 ( 1.301 0.000 -1.822) 2.239 15.169 ( -2.006 0.000 -5.165) 5.541 15.202 ( -0.895 0.000 1.971) 2.165 15.269 ( -2.709 0.000 -0.699) 2.798 15.323 ( -4.713 0.000 -2.515) 5.342 15.448 ( 5.916 0.000 -0.352) 5.926 19.451 ( 11.129 0.000 -1.658) 11.251 19.496 ( 9.048 0.000 0.372) 9.056 19.689 ( 11.647 0.000 3.202) 12.080 19.696 ( 14.007 0.000 -4.655) 14.761 20.216 ( -0.551 0.000 1.592) 1.685 20.321 ( 0.249 0.000 -0.833) 0.870 20.473 ( 0.362 0.000 7.217) 7.226 20.679 ( -10.857 0.000 -0.144) 10.858 21.187 ( -1.071 0.000 0.587) 1.221 21.293 ( 0.356 0.000 -2.075) 2.105 21.462 ( -2.797 0.000 5.137) 5.849 21.686 ( -4.602 0.000 -4.029) 6.117 21.728 ( -1.201 0.000 1.086) 1.620 21.953 ( -3.310 0.000 -2.971) 4.448 22.058 ( 3.369 0.000 -0.721) 3.445 22.109 ( -4.426 0.000 3.927) 5.917 22.156 ( -0.894 0.000 2.387) 2.549 22.183 ( 4.755 0.000 -0.844) 4.829 22.318 ( 5.975 0.000 -5.723) 8.274 22.329 ( 2.125 0.000 0.731) 2.247 22.542 ( 4.968 0.000 0.547) 4.998 22.599 ( -0.329 0.000 0.287) 0.437 22.723 ( -0.310 0.000 -1.191) 1.231 22.802 ( 0.248 0.000 1.314) 1.337 23.086 ( 4.712 0.000 1.279) 4.883 23.101 ( 0.443 0.000 -2.258) 2.301 23.227 ( 3.306 0.000 -2.690) 4.262 23.237 ( -0.061 0.000 -0.300) 0.306 23.475 ( 1.725 0.000 -1.946) 2.600 23.492 ( 2.480 0.000 0.462) 2.523 23.670 ( -4.823 0.000 0.978) 4.921 23.721 ( -0.372 0.000 0.318) 0.489 23.796 ( -0.519 0.000 1.366) 1.461 23.864 ( -2.152 0.000 -0.364) 2.183 23.943 ( 0.808 0.000 2.018) 2.174 23.995 ( -2.588 0.000 -0.611) 2.659 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 13.135 0.000 -2.959) 13.464 0.881 ( 10.403 0.000 13.130) 16.752 1.175 ( 10.655 0.000 7.845) 13.232 1.281 ( 11.557 0.000 -1.472) 11.651 1.528 ( 8.295 0.000 -8.973) 12.219 1.636 ( 3.126 0.000 -4.676) 5.625 1.671 ( 11.394 0.000 7.501) 13.642 1.731 ( -1.606 0.000 0.755) 1.775 1.742 ( 2.423 0.000 4.130) 4.788 1.781 ( -6.250 0.000 -5.773) 8.508 1.831 ( 4.241 0.000 -1.885) 4.641 1.843 ( -2.495 0.000 -4.823) 5.431 1.942 ( -0.464 0.000 -2.838) 2.876 1.965 ( -0.897 0.000 -1.626) 1.857 2.016 ( 1.067 0.000 4.064) 4.202 2.105 ( 3.201 0.000 12.723) 13.119 2.117 ( 4.458 0.000 1.691) 4.768 2.149 ( 10.334 0.000 1.544) 10.449 2.175 ( 1.263 0.000 -1.265) 1.788 2.299 ( 1.727 0.000 -1.743) 2.453 2.317 ( 0.869 0.000 5.938) 6.001 2.333 ( 0.913 0.000 1.461) 1.723 2.355 ( 6.942 0.000 2.895) 7.522 2.371 ( 2.148 0.000 -6.792) 7.123 2.397 ( 4.220 0.000 2.647) 4.981 2.457 ( 3.656 0.000 1.557) 3.974 2.497 ( 1.089 0.000 -3.059) 3.247 2.517 ( 1.314 0.000 0.735) 1.505 2.568 ( -5.921 0.000 -3.580) 6.919 2.653 ( -0.338 0.000 -8.224) 8.231 2.679 ( -1.741 0.000 3.649) 4.043 2.727 ( 3.379 0.000 -1.242) 3.600 2.747 ( 5.137 0.000 2.207) 5.591 2.766 ( -1.202 0.000 1.501) 1.923 2.774 ( 1.147 0.000 2.667) 2.903 2.904 ( 1.683 0.000 4.177) 4.503 3.076 ( -7.620 0.000 0.357) 7.629 3.097 ( 3.613 0.000 2.636) 4.472 3.129 ( 3.243 0.000 -4.950) 5.917 3.139 ( -1.892 0.000 4.172) 4.581 3.193 ( -7.383 0.000 0.029) 7.384 3.250 ( -2.950 0.000 2.847) 4.099 3.278 ( -4.812 0.000 2.479) 5.413 3.357 ( -5.204 0.000 -4.027) 6.580 3.438 ( 3.953 0.000 -1.126) 4.110 3.454 ( -4.769 0.000 -1.017) 4.877 3.550 ( -2.396 0.000 1.335) 2.743 3.596 ( -6.443 0.000 -1.971) 6.737 3.766 ( -7.511 0.000 -3.205) 8.166 3.790 ( -6.487 0.000 -0.413) 6.500 3.792 ( -1.492 0.000 -0.062) 1.493 3.830 ( -1.940 0.000 -2.149) 2.896 4.100 ( -8.067 0.000 4.866) 9.421 4.261 ( 2.354 0.000 0.385) 2.385 4.307 ( -2.605 0.000 -2.503) 3.613 4.521 ( 2.263 0.000 1.087) 2.510 4.568 ( -4.936 0.000 -5.669) 7.517 4.685 ( -0.319 0.000 -1.455) 1.490 4.839 ( 10.096 0.000 -3.167) 10.581 4.847 ( -2.541 0.000 0.710) 2.638 4.931 ( 1.481 0.000 2.531) 2.932 5.059 ( -9.613 0.000 -0.594) 9.632 5.168 ( -8.699 0.000 4.634) 9.856 5.380 ( -0.810 0.000 3.624) 3.714 5.411 ( -0.253 0.000 -0.248) 0.354 5.480 ( 6.008 0.000 -2.955) 6.696 5.562 ( -5.745 0.000 6.195) 8.449 5.592 ( -3.444 0.000 -4.284) 5.497 5.715 ( 2.709 0.000 -2.580) 3.741 5.721 ( -1.874 0.000 -2.173) 2.869 6.005 ( -12.196 0.000 1.071) 12.243 6.020 ( 2.913 0.000 0.001) 2.913 6.086 ( 1.151 0.000 -2.446) 2.703 6.107 ( -2.700 0.000 -0.768) 2.807 6.110 ( 4.516 0.000 -1.576) 4.783 6.170 ( 1.723 0.000 6.046) 6.287 6.321 ( 1.093 0.000 -2.813) 3.018 6.441 ( -0.650 0.000 -2.178) 2.273 6.661 ( -2.686 0.000 5.397) 6.028 6.729 ( 3.177 0.000 3.116) 4.450 6.827 ( 5.653 0.000 -7.265) 9.205 7.092 ( 3.807 0.000 -9.404) 10.146 7.167 ( 1.823 0.000 3.739) 4.160 7.426 ( -3.064 0.000 5.816) 6.574 8.513 ( 0.446 0.000 2.749) 2.785 8.645 ( 0.622 0.000 0.903) 1.097 8.674 ( -0.549 0.000 5.256) 5.285 8.700 ( -0.101 0.000 -1.606) 1.609 8.732 ( 2.140 0.000 1.894) 2.857 8.844 ( 5.286 0.000 -4.793) 7.136 8.939 ( 4.121 0.000 3.208) 5.222 8.997 ( -4.307 0.000 3.003) 5.250 9.007 ( 0.752 0.000 -5.285) 5.338 9.186 ( -0.221 0.000 -2.399) 2.409 9.273 ( 2.561 0.000 -2.385) 3.499 9.332 ( 0.519 0.000 2.349) 2.406 9.421 ( 1.901 0.000 5.913) 6.212 9.426 ( -2.576 0.000 -6.272) 6.781 9.547 ( -2.241 0.000 -7.290) 7.626 9.613 ( -3.670 0.000 1.218) 3.867 9.766 ( 1.283 0.000 -3.052) 3.311 9.812 ( 0.602 0.000 4.696) 4.734 9.817 ( 1.395 0.000 1.121) 1.790 9.895 ( -0.874 0.000 -1.531) 1.763 9.930 ( -5.967 0.000 1.461) 6.144 10.029 ( -3.537 0.000 -0.685) 3.602 10.078 ( -2.885 0.000 -2.074) 3.554 10.117 ( 3.562 0.000 -0.824) 3.656 10.241 ( 3.964 0.000 1.965) 4.425 10.241 ( -3.237 0.000 1.602) 3.611 10.556 ( 2.961 0.000 -2.253) 3.721 10.568 ( -0.589 0.000 -0.499) 0.772 10.607 ( 3.621 0.000 1.568) 3.946 10.841 ( 2.480 0.000 1.970) 3.168 10.957 ( 5.127 0.000 2.444) 5.679 10.964 ( -0.091 0.000 1.983) 1.985 11.234 ( -1.352 0.000 -2.084) 2.485 11.288 ( -2.764 0.000 3.218) 4.241 11.382 ( -6.651 0.000 -7.853) 10.291 11.541 ( 4.428 0.000 5.668) 7.193 12.062 ( -0.364 0.000 0.731) 0.817 12.075 ( 0.242 0.000 -3.286) 3.295 12.180 ( -2.215 0.000 1.298) 2.568 12.514 ( 4.637 0.000 -0.206) 4.642 12.803 ( -0.960 0.000 3.201) 3.342 12.983 ( 0.152 0.000 0.763) 0.778 12.989 ( -2.148 0.000 -1.059) 2.395 13.091 ( 1.903 0.000 -0.653) 2.012 13.449 ( -0.164 0.000 -0.168) 0.235 13.499 ( 0.467 0.000 0.331) 0.572 13.663 ( -1.356 0.000 -3.747) 3.985 13.723 ( 1.863 0.000 3.058) 3.581 13.915 ( -3.069 0.000 2.824) 4.171 14.038 ( -8.801 0.000 -1.133) 8.874 14.098 ( 0.163 0.000 -0.499) 0.525 14.411 ( -0.086 0.000 -1.274) 1.277 14.967 ( -2.060 0.000 2.924) 3.577 15.058 ( 1.475 0.000 -2.225) 2.669 15.080 ( -4.048 0.000 2.369) 4.690 15.118 ( -0.794 0.000 -4.935) 4.999 15.188 ( -3.913 0.000 0.786) 3.991 15.255 ( -2.308 0.000 -0.952) 2.497 15.275 ( 6.129 0.000 -0.194) 6.132 15.499 ( 0.540 0.000 -0.322) 0.628 19.693 ( 16.118 0.000 -1.992) 16.241 19.694 ( 11.735 0.000 0.935) 11.773 19.904 ( 8.364 0.000 3.229) 8.966 19.920 ( 13.963 0.000 -4.451) 14.655 20.213 ( -1.045 0.000 1.759) 2.046 20.339 ( 2.450 0.000 -0.231) 2.460 20.510 ( -1.127 0.000 5.754) 5.863 20.518 ( -7.726 0.000 -0.584) 7.748 21.179 ( -0.030 0.000 0.700) 0.701 21.291 ( 1.106 0.000 -1.880) 2.181 21.415 ( -5.781 0.000 4.805) 7.517 21.567 ( -5.816 0.000 -3.170) 6.624 21.708 ( -1.495 0.000 0.361) 1.538 21.901 ( 0.374 0.000 -3.477) 3.497 22.037 ( -4.868 0.000 4.892) 6.901 22.066 ( -1.669 0.000 -2.759) 3.224 22.189 ( 0.797 0.000 0.510) 0.946 22.288 ( 8.444 0.000 -2.097) 8.700 22.372 ( 3.923 0.000 -1.170) 4.094 22.389 ( 2.877 0.000 3.718) 4.701 22.572 ( -2.118 0.000 -1.262) 2.466 22.602 ( 1.393 0.000 0.437) 1.460 22.738 ( 2.802 0.000 -2.008) 3.447 22.810 ( -1.567 0.000 1.529) 2.189 23.115 ( 2.414 0.000 -0.221) 2.424 23.138 ( 1.611 0.000 -4.231) 4.527 23.232 ( -0.031 0.000 -0.912) 0.913 23.288 ( 4.469 0.000 1.390) 4.680 23.492 ( 1.417 0.000 -2.041) 2.484 23.546 ( 2.468 0.000 2.103) 3.242 23.602 ( -3.292 0.000 0.522) 3.333 23.711 ( -0.574 0.000 0.002) 0.574 23.796 ( 0.126 0.000 0.083) 0.151 23.829 ( -1.830 0.000 0.673) 1.949 23.950 ( -2.200 0.000 -0.940) 2.392 23.962 ( -0.030 0.000 1.330) 1.330 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 12.540 0.000 -1.491) 12.628 1.113 ( 6.069 0.000 9.239) 11.054 1.395 ( -0.742 0.000 8.347) 8.380 1.400 ( 0.536 0.000 5.621) 5.646 1.506 ( -5.804 0.000 2.455) 6.302 1.556 ( 1.280 0.000 -8.536) 8.632 1.649 ( -0.013 0.000 -7.355) 7.355 1.712 ( 1.111 0.000 1.502) 1.868 1.759 ( 0.636 0.000 1.187) 1.346 1.778 ( 2.436 0.000 -12.584) 12.818 1.795 ( -2.280 0.000 -4.685) 5.211 1.888 ( -0.426 0.000 -4.408) 4.429 1.957 ( 3.467 0.000 1.293) 3.700 1.961 ( 2.702 0.000 1.545) 3.112 2.105 ( 0.126 0.000 -0.578) 0.591 2.192 ( -0.217 0.000 2.173) 2.184 2.223 ( 4.691 0.000 3.813) 6.045 2.227 ( 1.722 0.000 1.432) 2.240 2.298 ( 1.848 0.000 1.798) 2.578 2.304 ( 2.652 0.000 -3.117) 4.093 2.338 ( -5.138 0.000 3.853) 6.422 2.395 ( 4.811 0.000 -4.569) 6.635 2.411 ( -4.406 0.000 -1.690) 4.719 2.429 ( 4.825 0.000 4.396) 6.528 2.438 ( -0.486 0.000 -4.930) 4.954 2.489 ( 3.169 0.000 7.255) 7.917 2.496 ( 3.310 0.000 1.854) 3.794 2.510 ( 2.729 0.000 3.141) 4.161 2.599 ( 3.458 0.000 0.738) 3.536 2.618 ( -7.277 0.000 5.837) 9.329 2.637 ( 4.814 0.000 -2.007) 5.216 2.715 ( -5.735 0.000 2.319) 6.186 2.780 ( 4.829 0.000 -3.950) 6.239 2.797 ( -1.978 0.000 -2.274) 3.014 2.847 ( 3.192 0.000 0.957) 3.332 2.968 ( 1.148 0.000 3.056) 3.265 2.971 ( -0.369 0.000 1.273) 1.325 3.075 ( -1.703 0.000 -0.631) 1.817 3.097 ( -4.545 0.000 0.113) 4.547 3.178 ( -1.843 0.000 -2.616) 3.200 3.183 ( 4.070 0.000 1.207) 4.245 3.248 ( 1.278 0.000 -0.903) 1.565 3.251 ( 0.274 0.000 2.968) 2.980 3.324 ( 4.612 0.000 1.948) 5.006 3.341 ( -6.488 0.000 0.057) 6.488 3.443 ( -1.479 0.000 -3.194) 3.520 3.494 ( -5.554 0.000 3.544) 6.588 3.545 ( -5.180 0.000 0.310) 5.189 3.624 ( 1.743 0.000 -3.580) 3.982 3.694 ( -2.459 0.000 -3.551) 4.320 3.754 ( -1.917 0.000 -0.135) 1.922 3.757 ( -2.361 0.000 -1.543) 2.820 4.017 ( -4.632 0.000 3.609) 5.872 4.266 ( -0.581 0.000 -1.305) 1.428 4.337 ( 4.462 0.000 -0.135) 4.464 4.464 ( -1.730 0.000 -7.029) 7.238 4.573 ( 1.984 0.000 1.443) 2.453 4.630 ( -4.448 0.000 0.169) 4.451 4.810 ( -1.837 0.000 0.595) 1.931 4.918 ( -0.268 0.000 1.497) 1.521 5.012 ( 8.390 0.000 -2.295) 8.698 5.032 ( -4.333 0.000 -0.786) 4.404 5.067 ( 2.792 0.000 7.581) 8.079 5.392 ( -3.717 0.000 2.048) 4.244 5.436 ( -8.750 0.000 5.359) 10.261 5.441 ( 4.103 0.000 -1.488) 4.365 5.518 ( -2.482 0.000 -2.121) 3.265 5.552 ( 3.820 0.000 -0.790) 3.901 5.677 ( -3.177 0.000 -0.457) 3.210 5.744 ( 1.822 0.000 0.002) 1.822 5.850 ( -2.893 0.000 -0.495) 2.935 5.989 ( -3.612 0.000 -3.292) 4.887 6.037 ( -4.099 0.000 0.319) 4.111 6.079 ( 1.815 0.000 2.222) 2.869 6.212 ( 5.886 0.000 -5.544) 8.086 6.242 ( 1.098 0.000 2.861) 3.064 6.366 ( 3.511 0.000 0.862) 3.615 6.411 ( -1.051 0.000 -1.288) 1.662 6.625 ( -4.167 0.000 4.413) 6.069 6.737 ( -2.874 0.000 0.507) 2.918 6.914 ( 9.200 0.000 -8.098) 12.256 7.080 ( 0.913 0.000 -8.756) 8.803 7.268 ( 6.220 0.000 3.998) 7.394 7.371 ( -7.994 0.000 6.637) 10.390 8.546 ( 0.887 0.000 2.839) 2.974 8.647 ( 0.121 0.000 0.967) 0.975 8.689 ( -0.138 0.000 -0.870) 0.881 8.695 ( -2.041 0.000 5.458) 5.827 8.779 ( 0.952 0.000 2.894) 3.047 8.922 ( -4.087 0.000 0.760) 4.157 8.934 ( 6.178 0.000 -4.121) 7.426 8.987 ( 1.791 0.000 -3.044) 3.532 9.008 ( -0.711 0.000 1.208) 1.402 9.161 ( 1.061 0.000 -1.059) 1.499 9.294 ( 3.222 0.000 -11.203) 11.657 9.350 ( -2.494 0.000 1.577) 2.950 9.358 ( 0.863 0.000 -0.231) 0.893 9.448 ( -1.493 0.000 -8.689) 8.817 9.459 ( -1.218 0.000 3.212) 3.436 9.579 ( -1.062 0.000 1.410) 1.765 9.737 ( -1.153 0.000 -4.168) 4.324 9.811 ( -4.916 0.000 1.175) 5.054 9.848 ( 1.834 0.000 -2.168) 2.839 9.875 ( -0.695 0.000 4.619) 4.671 9.900 ( -0.137 0.000 4.071) 4.073 10.006 ( 1.479 0.000 -2.655) 3.039 10.038 ( -0.197 0.000 0.924) 0.945 10.136 ( -0.407 0.000 -2.743) 2.773 10.221 ( 0.202 0.000 2.317) 2.326 10.328 ( 1.662 0.000 0.650) 1.785 10.569 ( 1.544 0.000 1.128) 1.912 10.588 ( 2.100 0.000 -1.436) 2.544 10.690 ( 3.048 0.000 5.084) 5.928 10.790 ( -3.171 0.000 1.031) 3.334 10.966 ( -1.309 0.000 2.012) 2.400 11.130 ( 3.246 0.000 0.880) 3.363 11.196 ( -3.792 0.000 -5.123) 6.374 11.245 ( -3.586 0.000 0.442) 3.613 11.290 ( 6.395 0.000 3.334) 7.212 11.608 ( -0.629 0.000 2.656) 2.730 12.063 ( -0.313 0.000 1.378) 1.413 12.069 ( 1.229 0.000 -1.914) 2.275 12.169 ( -0.300 0.000 3.114) 3.128 12.555 ( 0.764 0.000 -2.441) 2.558 12.794 ( -1.658 0.000 1.930) 2.544 12.945 ( -1.435 0.000 -2.521) 2.901 13.005 ( 1.182 0.000 3.349) 3.552 13.113 ( 0.610 0.000 0.169) 0.633 13.452 ( 0.303 0.000 0.399) 0.501 13.502 ( -0.194 0.000 -0.133) 0.235 13.647 ( 1.573 0.000 -1.412) 2.114 13.766 ( -0.387 0.000 2.766) 2.793 13.865 ( -3.277 0.000 -1.474) 3.593 13.919 ( -2.888 0.000 0.858) 3.013 14.083 ( -0.378 0.000 -3.085) 3.108 14.375 ( -1.403 0.000 -4.907) 5.104 14.946 ( -1.818 0.000 2.003) 2.705 15.041 ( -2.242 0.000 3.318) 4.005 15.069 ( 0.229 0.000 -2.657) 2.667 15.088 ( 1.887 0.000 -0.540) 1.962 15.187 ( 1.141 0.000 3.312) 3.503 15.224 ( -0.717 0.000 0.229) 0.753 15.359 ( 3.571 0.000 -2.253) 4.223 15.472 ( -2.689 0.000 -1.504) 3.081 19.862 ( 5.316 0.000 0.849) 5.383 19.921 ( 9.162 0.000 -1.370) 9.264 19.994 ( 0.777 0.000 2.235) 2.367 20.119 ( 10.916 0.000 -0.742) 10.941 20.202 ( -1.149 0.000 1.266) 1.710 20.382 ( 1.233 0.000 -0.489) 1.326 20.400 ( -5.503 0.000 0.288) 5.510 20.499 ( -3.006 0.000 1.815) 3.512 21.200 ( 1.855 0.000 0.676) 1.975 21.305 ( 1.181 0.000 -1.835) 2.182 21.337 ( -5.907 0.000 4.112) 7.197 21.474 ( -1.756 0.000 -1.544) 2.339 21.684 ( -1.109 0.000 -0.431) 1.190 21.915 ( 2.982 0.000 -4.006) 4.994 21.988 ( -3.845 0.000 2.082) 4.372 22.006 ( -1.586 0.000 -2.288) 2.784 22.200 ( 0.460 0.000 0.863) 0.978 22.403 ( 2.213 0.000 -2.520) 3.353 22.422 ( 0.483 0.000 1.949) 2.008 22.443 ( 2.126 0.000 2.395) 3.203 22.550 ( 1.502 0.000 0.169) 1.512 22.619 ( 1.269 0.000 -0.072) 1.271 22.759 ( -3.973 0.000 0.507) 4.005 22.787 ( 3.136 0.000 0.705) 3.214 23.102 ( -0.668 0.000 -7.732) 7.761 23.139 ( -0.528 0.000 -2.072) 2.139 23.252 ( 2.482 0.000 2.406) 3.457 23.377 ( 3.277 0.000 3.291) 4.644 23.502 ( 1.218 0.000 -0.850) 1.486 23.555 ( -2.226 0.000 0.978) 2.431 23.596 ( 0.480 0.000 1.953) 2.012 23.711 ( 0.708 0.000 -0.318) 0.776 23.806 ( -1.690 0.000 1.388) 2.187 23.815 ( 2.855 0.000 -1.031) 3.036 23.907 ( -2.164 0.000 -0.228) 2.176 23.955 ( -1.088 0.000 -0.457) 1.180 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -13.410 0.000 5.684) 14.565 1.099 ( -12.648 0.000 -0.625) 12.664 1.231 ( -0.546 0.000 6.897) 6.919 1.445 ( -1.329 0.000 -1.399) 1.930 1.464 ( -0.372 0.000 1.353) 1.403 1.620 ( 3.748 0.000 2.142) 4.317 1.692 ( 3.222 0.000 -6.016) 6.824 1.722 ( -0.482 0.000 -4.171) 4.199 1.759 ( 3.237 0.000 -8.135) 8.755 1.794 ( 6.175 0.000 2.672) 6.729 1.796 ( 2.237 0.000 -1.243) 2.559 1.849 ( 1.779 0.000 -6.647) 6.881 1.976 ( -7.568 0.000 -2.365) 7.929 2.000 ( -11.438 0.000 1.447) 11.529 2.001 ( -0.231 0.000 1.233) 1.254 2.068 ( -9.355 0.000 1.708) 9.510 2.126 ( -6.259 0.000 -0.497) 6.279 2.221 ( -2.709 0.000 3.039) 4.071 2.240 ( -2.933 0.000 -1.452) 3.273 2.292 ( -2.001 0.000 -3.999) 4.472 2.312 ( -0.665 0.000 -3.502) 3.564 2.394 ( -3.193 0.000 5.686) 6.521 2.400 ( -0.825 0.000 -1.909) 2.080 2.453 ( 2.916 0.000 1.009) 3.086 2.456 ( -6.902 0.000 2.160) 7.232 2.508 ( 1.454 0.000 2.232) 2.664 2.542 ( -5.104 0.000 0.268) 5.111 2.587 ( -0.341 0.000 -0.201) 0.396 2.633 ( 3.779 0.000 9.519) 10.242 2.642 ( 2.289 0.000 1.588) 2.786 2.656 ( 5.946 0.000 4.345) 7.365 2.763 ( 1.469 0.000 2.478) 2.881 2.781 ( -3.453 0.000 0.533) 3.494 2.838 ( 3.876 0.000 -2.518) 4.622 2.863 ( -4.857 0.000 1.877) 5.207 2.966 ( 1.340 0.000 0.580) 1.460 2.970 ( -6.581 0.000 -3.255) 7.342 2.988 ( 0.419 0.000 1.430) 1.490 3.087 ( -1.719 0.000 -2.235) 2.820 3.136 ( 5.638 0.000 0.411) 5.653 3.174 ( -6.557 0.000 1.170) 6.660 3.247 ( -4.371 0.000 -2.252) 4.917 3.298 ( -2.840 0.000 -1.263) 3.108 3.333 ( 3.505 0.000 1.347) 3.755 3.347 ( 4.431 0.000 1.398) 4.646 3.421 ( 1.527 0.000 -3.055) 3.415 3.456 ( 4.855 0.000 -1.884) 5.208 3.511 ( 3.387 0.000 3.674) 4.997 3.648 ( 0.738 0.000 -4.044) 4.111 3.734 ( 0.923 0.000 0.897) 1.287 3.780 ( 10.254 0.000 -0.923) 10.295 3.816 ( 8.013 0.000 2.241) 8.320 4.003 ( 1.140 0.000 2.285) 2.553 4.245 ( -0.126 0.000 -4.417) 4.419 4.333 ( -4.377 0.000 -0.810) 4.451 4.450 ( 4.542 0.000 -3.382) 5.663 4.588 ( -0.885 0.000 -0.166) 0.900 4.620 ( 2.641 0.000 0.786) 2.755 4.800 ( -0.035 0.000 0.199) 0.202 4.947 ( -0.591 0.000 -1.852) 1.944 4.960 ( 3.565 0.000 2.459) 4.331 5.159 ( 1.048 0.000 10.354) 10.407 5.172 ( 6.050 0.000 -2.365) 6.496 5.242 ( -7.943 0.000 1.908) 8.169 5.345 ( -6.672 0.000 -0.001) 6.672 5.507 ( 2.627 0.000 1.414) 2.983 5.523 ( 3.830 0.000 -3.024) 4.880 5.583 ( -4.938 0.000 1.377) 5.126 5.681 ( 10.048 0.000 -0.176) 10.049 5.771 ( 0.500 0.000 0.375) 0.625 5.857 ( 1.122 0.000 -1.951) 2.251 5.970 ( 4.211 0.000 -1.954) 4.643 6.008 ( 1.617 0.000 0.634) 1.737 6.121 ( 0.510 0.000 3.661) 3.697 6.219 ( -4.116 0.000 0.516) 4.148 6.241 ( 1.481 0.000 -5.181) 5.389 6.410 ( 1.691 0.000 -0.746) 1.848 6.412 ( 0.439 0.000 0.976) 1.070 6.596 ( -2.188 0.000 5.156) 5.601 6.661 ( -4.746 0.000 -3.207) 5.728 7.004 ( 4.486 0.000 -7.231) 8.510 7.012 ( -2.222 0.000 -6.918) 7.266 7.259 ( -6.839 0.000 4.957) 8.447 7.397 ( 4.415 0.000 5.043) 6.703 8.566 ( -1.242 0.000 3.096) 3.336 8.662 ( -0.173 0.000 2.745) 2.750 8.676 ( -2.717 0.000 3.143) 4.155 8.687 ( 0.366 0.000 -0.492) 0.614 8.802 ( -0.304 0.000 2.786) 2.802 8.874 ( -1.160 0.000 -0.987) 1.523 8.940 ( 1.258 0.000 -3.045) 3.295 8.948 ( -4.353 0.000 -0.976) 4.461 9.083 ( 5.782 0.000 0.036) 5.782 9.204 ( 2.492 0.000 0.071) 2.493 9.230 ( -1.056 0.000 -6.523) 6.608 9.357 ( -0.837 0.000 0.158) 0.852 9.384 ( 4.175 0.000 -3.244) 5.288 9.404 ( 3.472 0.000 -10.732) 11.280 9.417 ( -5.679 0.000 3.196) 6.516 9.583 ( 0.262 0.000 1.801) 1.820 9.676 ( -2.732 0.000 -4.217) 5.025 9.753 ( -1.660 0.000 1.057) 1.968 9.849 ( 0.637 0.000 -4.079) 4.129 9.877 ( -0.898 0.000 1.553) 1.794 9.937 ( 1.580 0.000 4.143) 4.434 10.025 ( 1.718 0.000 -1.268) 2.135 10.097 ( 4.468 0.000 3.334) 5.575 10.109 ( -1.175 0.000 0.701) 1.368 10.247 ( 0.967 0.000 0.624) 1.150 10.282 ( -4.608 0.000 -1.323) 4.794 10.610 ( -0.069 0.000 1.628) 1.630 10.618 ( 1.568 0.000 0.672) 1.706 10.769 ( 1.764 0.000 5.597) 5.868 10.801 ( 2.339 0.000 1.267) 2.660 10.945 ( -2.161 0.000 1.614) 2.697 11.008 ( -6.718 0.000 -2.274) 7.092 11.173 ( -3.483 0.000 -2.600) 4.347 11.236 ( 4.316 0.000 0.618) 4.360 11.485 ( 8.344 0.000 6.565) 10.617 11.546 ( -6.535 0.000 -0.866) 6.593 12.069 ( 0.055 0.000 1.056) 1.058 12.095 ( 2.397 0.000 -0.653) 2.485 12.208 ( 1.162 0.000 5.473) 5.594 12.509 ( -3.067 0.000 -4.929) 5.806 12.775 ( -1.667 0.000 1.237) 2.076 12.919 ( 0.750 0.000 -2.633) 2.738 13.066 ( 2.529 0.000 4.834) 5.456 13.115 ( -0.307 0.000 0.016) 0.307 13.463 ( 0.472 0.000 0.867) 0.987 13.496 ( -0.228 0.000 -0.133) 0.264 13.694 ( 3.745 0.000 0.751) 3.819 13.702 ( -4.538 0.000 -3.081) 5.485 13.843 ( -0.656 0.000 1.302) 1.458 13.936 ( 3.061 0.000 2.035) 3.676 14.055 ( 0.040 0.000 -3.853) 3.854 14.313 ( -0.849 0.000 -7.409) 7.458 14.934 ( -0.716 0.000 1.304) 1.488 15.045 ( 0.106 0.000 3.258) 3.259 15.079 ( 2.429 0.000 -2.055) 3.181 15.130 ( 1.847 0.000 2.159) 2.841 15.229 ( 1.863 0.000 0.423) 1.910 15.256 ( 2.678 0.000 4.923) 5.604 15.341 ( -3.855 0.000 -3.299) 5.074 15.415 ( -0.963 0.000 -3.977) 4.092 19.850 ( -6.842 0.000 0.489) 6.860 19.940 ( -6.255 0.000 -0.926) 6.323 19.989 ( -3.736 0.000 1.739) 4.121 20.193 ( -0.501 0.000 2.027) 2.088 20.275 ( 3.974 0.000 0.244) 3.982 20.351 ( -2.976 0.000 -1.576) 3.368 20.364 ( 2.556 0.000 3.747) 4.536 20.440 ( -3.396 0.000 -1.364) 3.660 21.217 ( -1.510 0.000 0.510) 1.594 21.296 ( -0.169 0.000 -1.809) 1.817 21.309 ( 1.138 0.000 3.600) 3.776 21.511 ( 5.771 0.000 -0.162) 5.774 21.667 ( -0.318 0.000 -1.168) 1.210 21.910 ( 0.475 0.000 -4.555) 4.580 21.921 ( -4.465 0.000 -0.062) 4.465 22.027 ( 3.527 0.000 -0.721) 3.600 22.211 ( -1.000 0.000 1.743) 2.009 22.344 ( -3.741 0.000 -2.459) 4.476 22.411 ( -1.742 0.000 1.397) 2.233 22.464 ( -3.296 0.000 0.805) 3.393 22.579 ( -0.237 0.000 1.218) 1.241 22.653 ( 1.803 0.000 0.652) 1.917 22.739 ( 2.435 0.000 -0.340) 2.458 22.854 ( 2.538 0.000 4.619) 5.271 23.031 ( -0.983 0.000 -9.126) 9.179 23.098 ( -1.157 0.000 -2.535) 2.787 23.307 ( 0.654 0.000 3.418) 3.480 23.430 ( 0.948 0.000 0.929) 1.328 23.527 ( -1.147 0.000 -0.508) 1.255 23.532 ( 2.188 0.000 0.357) 2.217 23.590 ( -2.363 0.000 3.055) 3.862 23.722 ( -0.016 0.000 0.089) 0.090 23.787 ( -0.690 0.000 0.281) 0.745 23.849 ( -1.087 0.000 0.507) 1.200 23.910 ( 4.298 0.000 0.214) 4.303 23.926 ( -1.073 0.000 -1.582) 1.911 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -20.351 0.000 4.784) 20.906 0.826 ( -20.332 0.000 6.136) 21.238 1.316 ( 2.355 0.000 7.074) 7.456 1.325 ( -6.186 0.000 -9.984) 11.745 1.366 ( -29.532 0.000 4.228) 29.833 1.562 ( -0.600 0.000 6.194) 6.223 1.614 ( -3.123 0.000 -4.169) 5.209 1.674 ( -1.745 0.000 -4.060) 4.419 1.712 ( -4.907 0.000 -6.497) 8.142 1.749 ( 0.618 0.000 -0.231) 0.660 1.878 ( 6.594 0.000 -5.678) 8.702 1.882 ( -1.820 0.000 -2.331) 2.958 1.899 ( 2.043 0.000 -0.705) 2.161 1.947 ( -2.377 0.000 2.720) 3.613 2.015 ( 4.228 0.000 4.944) 6.505 2.044 ( -2.856 0.000 1.943) 3.455 2.081 ( 1.337 0.000 1.032) 1.689 2.144 ( -4.410 0.000 -1.339) 4.609 2.209 ( -1.429 0.000 3.509) 3.789 2.235 ( -1.817 0.000 -2.049) 2.738 2.246 ( -4.376 0.000 -0.920) 4.472 2.319 ( -4.648 0.000 -0.625) 4.690 2.321 ( -5.096 0.000 -1.715) 5.377 2.386 ( -5.167 0.000 4.919) 7.134 2.470 ( -3.165 0.000 1.356) 3.444 2.516 ( -1.193 0.000 -1.242) 1.722 2.537 ( 4.836 0.000 3.066) 5.725 2.606 ( 2.098 0.000 -1.617) 2.648 2.648 ( -8.872 0.000 0.416) 8.882 2.650 ( -3.884 0.000 -4.027) 5.595 2.674 ( -5.980 0.000 -0.451) 5.997 2.711 ( -1.477 0.000 3.964) 4.231 2.769 ( 2.612 0.000 2.326) 3.498 2.825 ( 2.491 0.000 13.605) 13.831 2.858 ( -4.257 0.000 -1.255) 4.438 2.914 ( 1.529 0.000 1.586) 2.203 2.935 ( -5.903 0.000 -3.767) 7.002 2.970 ( -2.608 0.000 -2.963) 3.947 3.065 ( -7.008 0.000 1.548) 7.177 3.092 ( 6.236 0.000 1.794) 6.489 3.181 ( 2.931 0.000 -3.955) 4.923 3.281 ( 1.392 0.000 0.719) 1.566 3.306 ( 9.613 0.000 0.649) 9.635 3.371 ( 4.205 0.000 -2.048) 4.677 3.447 ( 4.326 0.000 -0.687) 4.380 3.535 ( 4.716 0.000 -2.332) 5.262 3.558 ( 1.373 0.000 0.713) 1.547 3.561 ( 9.017 0.000 1.629) 9.163 3.675 ( 2.145 0.000 2.004) 2.936 3.733 ( -0.482 0.000 -1.755) 1.820 3.943 ( 6.992 0.000 0.053) 6.992 3.971 ( 5.560 0.000 -0.144) 5.562 4.082 ( 4.955 0.000 2.786) 5.684 4.228 ( 2.142 0.000 -5.005) 5.444 4.264 ( -0.914 0.000 1.696) 1.926 4.544 ( 3.041 0.000 -5.713) 6.472 4.580 ( 5.413 0.000 2.643) 6.023 4.657 ( 2.018 0.000 -1.570) 2.556 4.800 ( 0.343 0.000 -0.485) 0.594 4.973 ( 4.717 0.000 -3.343) 5.782 5.072 ( -9.399 0.000 5.264) 10.773 5.102 ( 9.948 0.000 3.492) 10.543 5.226 ( -3.597 0.000 -3.041) 4.710 5.227 ( -1.687 0.000 9.971) 10.113 5.307 ( 6.470 0.000 -5.348) 8.394 5.494 ( -2.689 0.000 1.048) 2.886 5.529 ( -4.630 0.000 2.348) 5.191 5.572 ( 4.120 0.000 -4.364) 6.001 5.765 ( -0.311 0.000 -1.639) 1.668 5.847 ( -0.514 0.000 1.070) 1.187 5.882 ( 8.645 0.000 -3.027) 9.159 6.060 ( 4.591 0.000 0.204) 4.596 6.087 ( 6.814 0.000 1.291) 6.935 6.135 ( -1.645 0.000 5.022) 5.284 6.176 ( 0.301 0.000 0.964) 1.010 6.188 ( -4.458 0.000 -2.502) 5.112 6.418 ( 0.751 0.000 0.823) 1.114 6.446 ( 1.854 0.000 -2.498) 3.111 6.530 ( -5.779 0.000 -4.481) 7.313 6.607 ( -0.800 0.000 4.499) 4.569 6.915 ( -8.210 0.000 -3.410) 8.890 6.952 ( 0.709 0.000 -5.076) 5.125 7.270 ( 4.586 0.000 -0.217) 4.591 7.472 ( 0.160 0.000 5.470) 5.472 8.535 ( -3.998 0.000 2.765) 4.861 8.633 ( -4.160 0.000 3.690) 5.561 8.689 ( 1.156 0.000 1.155) 1.634 8.697 ( 1.185 0.000 -0.484) 1.280 8.822 ( 1.172 0.000 3.379) 3.576 8.867 ( 0.765 0.000 -0.319) 0.829 8.883 ( -2.444 0.000 0.150) 2.449 8.970 ( 3.454 0.000 -1.816) 3.903 9.117 ( -1.683 0.000 -0.549) 1.770 9.203 ( -2.895 0.000 -1.677) 3.346 9.216 ( 1.980 0.000 -3.155) 3.724 9.320 ( -3.722 0.000 1.925) 4.190 9.364 ( -2.336 0.000 6.082) 6.515 9.402 ( 1.707 0.000 -4.615) 4.920 9.426 ( 6.429 0.000 -13.582) 15.026 9.602 ( -2.323 0.000 -2.197) 3.197 9.611 ( 1.455 0.000 2.027) 2.495 9.753 ( -0.073 0.000 1.573) 1.575 9.829 ( 1.060 0.000 -5.737) 5.834 9.899 ( 3.132 0.000 -0.354) 3.152 10.003 ( 2.369 0.000 1.926) 3.053 10.038 ( 0.549 0.000 -0.399) 0.679 10.130 ( 2.243 0.000 5.709) 6.134 10.187 ( -0.585 0.000 0.695) 0.908 10.220 ( 2.839 0.000 1.358) 3.147 10.256 ( -0.196 0.000 0.111) 0.225 10.574 ( -3.707 0.000 -1.123) 3.874 10.641 ( 0.188 0.000 0.132) 0.230 10.803 ( -3.187 0.000 0.284) 3.200 10.806 ( -2.624 0.000 6.157) 6.693 10.940 ( 0.869 0.000 2.937) 3.063 10.945 ( -0.661 0.000 1.350) 1.503 11.105 ( -1.217 0.000 -4.595) 4.753 11.328 ( 4.517 0.000 1.736) 4.838 11.408 ( -6.462 0.000 -2.472) 6.918 11.621 ( 3.043 0.000 4.221) 5.203 12.080 ( 0.910 0.000 0.079) 0.913 12.133 ( 1.914 0.000 0.058) 1.915 12.260 ( 0.126 0.000 5.775) 5.776 12.402 ( -4.545 0.000 -5.827) 7.390 12.749 ( -2.397 0.000 1.669) 2.921 12.941 ( 3.082 0.000 -1.524) 3.438 13.107 ( -0.466 0.000 -0.398) 0.613 13.141 ( 2.532 0.000 2.596) 3.627 13.478 ( 0.452 0.000 1.005) 1.102 13.493 ( -0.473 0.000 0.320) 0.571 13.621 ( -1.575 0.000 -2.871) 3.275 13.773 ( 3.957 0.000 1.807) 4.350 13.840 ( -0.374 0.000 1.180) 1.238 14.021 ( 3.936 0.000 3.711) 5.410 14.042 ( 0.907 0.000 -2.731) 2.878 14.258 ( 0.518 0.000 -7.766) 7.783 14.931 ( -0.782 0.000 0.843) 1.150 15.064 ( -0.744 0.000 0.069) 0.747 15.101 ( 0.565 0.000 -0.524) 0.770 15.181 ( 2.745 0.000 1.390) 3.077 15.239 ( -4.006 0.000 -1.452) 4.261 15.274 ( 3.022 0.000 -1.083) 3.211 15.343 ( 3.004 0.000 5.091) 5.911 15.363 ( -1.652 0.000 -6.051) 6.273 19.670 ( -12.490 0.000 -0.270) 12.493 19.736 ( -14.780 0.000 -0.165) 14.781 19.850 ( -12.125 0.000 0.044) 12.125 20.194 ( 0.074 0.000 -0.874) 0.877 20.299 ( -0.139 0.000 -0.203) 0.246 20.316 ( 0.121 0.000 0.055) 0.133 20.381 ( -1.972 0.000 -1.603) 2.541 20.504 ( 6.997 0.000 10.953) 12.997 21.192 ( -1.061 0.000 0.328) 1.111 21.291 ( 0.850 0.000 -1.582) 1.796 21.376 ( 2.824 0.000 2.916) 4.059 21.635 ( 7.694 0.000 -0.193) 7.696 21.652 ( -0.574 0.000 -2.182) 2.256 21.842 ( -4.278 0.000 0.247) 4.285 21.901 ( 1.584 0.000 -4.133) 4.427 22.064 ( 0.891 0.000 -0.612) 1.081 22.163 ( -4.909 0.000 0.321) 4.919 22.278 ( -2.282 0.000 -1.221) 2.588 22.372 ( -6.259 0.000 0.146) 6.261 22.420 ( 1.589 0.000 1.470) 2.165 22.564 ( -1.106 0.000 -0.383) 1.170 22.669 ( -0.840 0.000 0.436) 0.947 22.793 ( 2.674 0.000 0.144) 2.677 22.929 ( 1.027 0.000 6.367) 6.449 22.967 ( 0.985 0.000 -7.224) 7.291 23.085 ( 0.962 0.000 -1.420) 1.716 23.312 ( -2.009 0.000 2.385) 3.118 23.412 ( -1.988 0.000 -5.111) 5.484 23.494 ( -1.633 0.000 -2.654) 3.117 23.556 ( -0.735 0.000 0.656) 0.985 23.589 ( -0.722 0.000 6.613) 6.652 23.697 ( -1.231 0.000 -1.328) 1.811 23.809 ( 2.825 0.000 -0.028) 2.825 23.822 ( -1.940 0.000 0.955) 2.163 23.909 ( 0.051 0.000 -0.802) 0.804 24.004 ( 5.089 0.000 1.517) 5.311 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -18.491 0.000 12.533) 22.338 0.498 ( -21.736 0.000 8.167) 23.220 0.819 ( -32.005 0.000 18.913) 37.175 1.239 ( 0.581 0.000 -12.356) 12.369 1.386 ( -0.844 0.000 0.451) 0.957 1.496 ( -4.746 0.000 -4.332) 6.426 1.539 ( -5.955 0.000 -4.231) 7.305 1.603 ( -0.808 0.000 7.342) 7.386 1.637 ( 0.568 0.000 -0.448) 0.724 1.755 ( -1.497 0.000 0.927) 1.761 1.808 ( -3.734 0.000 -3.845) 5.360 1.880 ( -4.719 0.000 0.682) 4.768 1.952 ( 0.646 0.000 6.268) 6.301 1.953 ( 1.199 0.000 -3.220) 3.436 1.996 ( -4.902 0.000 -1.927) 5.268 2.014 ( 1.929 0.000 2.635) 3.265 2.099 ( -1.525 0.000 -3.884) 4.173 2.113 ( 1.334 0.000 -0.464) 1.412 2.147 ( -3.280 0.000 -1.277) 3.520 2.226 ( -2.048 0.000 2.922) 3.568 2.246 ( -3.013 0.000 -2.151) 3.702 2.283 ( 3.497 0.000 1.080) 3.660 2.291 ( 2.923 0.000 3.406) 4.488 2.336 ( -2.184 0.000 2.605) 3.400 2.426 ( -1.877 0.000 -0.276) 1.897 2.471 ( -1.156 0.000 -1.766) 2.110 2.494 ( -9.154 0.000 4.141) 10.047 2.572 ( -1.467 0.000 -3.131) 3.458 2.595 ( -2.130 0.000 0.128) 2.133 2.612 ( 1.672 0.000 -2.048) 2.644 2.651 ( 1.143 0.000 5.063) 5.190 2.706 ( -2.870 0.000 0.082) 2.871 2.773 ( 0.090 0.000 -1.940) 1.942 2.803 ( -0.331 0.000 0.585) 0.672 2.847 ( -1.362 0.000 -5.547) 5.712 2.885 ( -0.467 0.000 1.985) 2.039 2.981 ( -2.442 0.000 3.588) 4.340 2.992 ( -0.281 0.000 2.310) 2.327 3.018 ( 7.446 0.000 10.379) 12.773 3.178 ( 2.198 0.000 0.962) 2.399 3.230 ( 4.743 0.000 -3.771) 6.059 3.348 ( 5.054 0.000 3.376) 6.078 3.429 ( 4.367 0.000 -0.187) 4.371 3.449 ( 3.447 0.000 0.433) 3.474 3.468 ( -0.834 0.000 -1.752) 1.940 3.587 ( 3.796 0.000 -3.824) 5.388 3.619 ( 4.801 0.000 2.530) 5.427 3.664 ( 1.408 0.000 -2.656) 3.006 3.714 ( -0.067 0.000 3.002) 3.003 3.738 ( 3.530 0.000 1.111) 3.701 3.992 ( -1.451 0.000 -1.788) 2.303 4.007 ( 0.127 0.000 0.690) 0.702 4.122 ( 1.207 0.000 0.830) 1.465 4.256 ( 4.098 0.000 -3.652) 5.489 4.367 ( 5.576 0.000 3.641) 6.659 4.521 ( 0.674 0.000 -5.314) 5.356 4.713 ( 6.627 0.000 -1.858) 6.882 4.739 ( 7.427 0.000 -0.868) 7.478 4.825 ( 3.798 0.000 -1.666) 4.147 4.964 ( -6.286 0.000 3.368) 7.131 5.040 ( 5.611 0.000 -3.428) 6.576 5.192 ( -6.966 0.000 9.372) 11.677 5.199 ( 3.734 0.000 -2.433) 4.457 5.305 ( 5.860 0.000 2.159) 6.245 5.364 ( 2.055 0.000 -1.139) 2.349 5.442 ( -2.428 0.000 3.627) 4.364 5.510 ( 2.753 0.000 0.518) 2.801 5.607 ( 3.786 0.000 -5.607) 6.765 5.733 ( -8.557 0.000 -3.899) 9.403 5.755 ( 1.066 0.000 -3.031) 3.213 5.966 ( 0.786 0.000 0.771) 1.101 6.035 ( -7.975 0.000 1.043) 8.043 6.113 ( -4.609 0.000 5.825) 7.428 6.178 ( 2.169 0.000 1.269) 2.513 6.228 ( 3.887 0.000 -0.210) 3.893 6.230 ( 5.340 0.000 -0.285) 5.348 6.345 ( -1.173 0.000 -6.064) 6.176 6.441 ( 0.033 0.000 1.998) 1.998 6.529 ( 0.928 0.000 0.643) 1.129 6.609 ( -2.622 0.000 4.817) 5.484 6.789 ( -0.953 0.000 -4.955) 5.045 6.977 ( 5.257 0.000 -4.618) 6.998 7.348 ( 3.959 0.000 -0.598) 4.004 7.465 ( -4.667 0.000 2.039) 5.093 8.488 ( -2.484 0.000 2.407) 3.458 8.579 ( -4.572 0.000 4.099) 6.141 8.709 ( 0.633 0.000 -0.755) 0.985 8.717 ( 1.304 0.000 -0.802) 1.531 8.858 ( -1.068 0.000 0.283) 1.105 8.899 ( 5.148 0.000 1.916) 5.493 8.903 ( 2.439 0.000 3.234) 4.050 8.993 ( -0.405 0.000 -6.316) 6.329 9.032 ( -6.634 0.000 -4.631) 8.091 9.121 ( -4.795 0.000 2.468) 5.393 9.196 ( -0.744 0.000 -5.790) 5.838 9.292 ( -1.617 0.000 2.487) 2.966 9.371 ( -1.791 0.000 5.945) 6.209 9.398 ( 0.856 0.000 0.525) 1.005 9.463 ( 6.059 0.000 -9.147) 10.972 9.613 ( 4.245 0.000 2.908) 5.146 9.657 ( 2.243 0.000 2.132) 3.095 9.756 ( -1.181 0.000 1.996) 2.319 9.819 ( 2.140 0.000 -5.563) 5.960 9.950 ( 2.435 0.000 -1.662) 2.948 9.983 ( -3.040 0.000 -2.330) 3.830 10.076 ( 2.791 0.000 -1.407) 3.126 10.183 ( 2.060 0.000 0.728) 2.185 10.220 ( 0.470 0.000 -1.475) 1.548 10.284 ( 5.547 0.000 6.910) 8.861 10.314 ( 4.252 0.000 0.734) 4.315 10.488 ( -4.407 0.000 -1.419) 4.630 10.603 ( -4.444 0.000 -0.624) 4.488 10.734 ( -4.264 0.000 0.257) 4.271 10.767 ( -3.743 0.000 1.517) 4.039 10.945 ( -0.652 0.000 0.644) 0.916 10.965 ( -3.026 0.000 2.765) 4.099 11.113 ( 6.121 0.000 -0.736) 6.165 11.350 ( 1.837 0.000 -0.942) 2.064 11.390 ( 1.534 0.000 0.594) 1.645 11.653 ( -0.919 0.000 1.047) 1.393 12.098 ( 1.155 0.000 -1.552) 1.935 12.151 ( -0.050 0.000 -0.974) 0.975 12.280 ( -1.465 0.000 5.167) 5.371 12.308 ( -1.789 0.000 -3.309) 3.762 12.724 ( -2.195 0.000 4.052) 4.608 12.992 ( 3.173 0.000 -1.013) 3.330 13.093 ( -0.656 0.000 -0.994) 1.191 13.108 ( -7.707 0.000 -9.186) 11.990 13.470 ( -1.091 0.000 -0.729) 1.312 13.486 ( -0.159 0.000 0.565) 0.587 13.647 ( 4.433 0.000 0.134) 4.435 13.835 ( 1.352 0.000 0.911) 1.630 13.873 ( 2.792 0.000 7.853) 8.334 14.042 ( 0.850 0.000 -2.460) 2.603 14.123 ( 5.065 0.000 8.682) 10.052 14.250 ( 3.304 0.000 -4.000) 5.188 14.912 ( -1.945 0.000 1.589) 2.511 14.974 ( -6.450 0.000 -5.064) 8.200 15.093 ( -1.117 0.000 0.121) 1.123 15.215 ( -0.372 0.000 0.702) 0.794 15.236 ( 2.520 0.000 0.409) 2.553 15.299 ( 1.219 0.000 -3.714) 3.909 15.302 ( -0.670 0.000 -3.015) 3.089 15.409 ( 1.113 0.000 3.035) 3.233 19.471 ( -8.105 0.000 -1.019) 8.169 19.491 ( -11.640 0.000 0.477) 11.650 19.633 ( -10.634 0.000 0.004) 10.634 20.139 ( -9.373 0.000 -14.439) 17.215 20.225 ( -3.542 0.000 -0.992) 3.678 20.342 ( 1.082 0.000 -0.312) 1.126 20.355 ( 0.029 0.000 2.240) 2.240 20.831 ( 21.613 0.000 17.842) 28.026 21.177 ( -1.046 0.000 -1.954) 2.216 21.298 ( 0.989 0.000 -1.770) 2.027 21.388 ( -4.695 0.000 -1.282) 4.867 21.626 ( -0.109 0.000 3.943) 3.944 21.753 ( 5.335 0.000 -1.165) 5.461 21.794 ( -2.726 0.000 5.267) 5.931 21.902 ( 1.975 0.000 -4.258) 4.694 22.074 ( 0.893 0.000 1.173) 1.474 22.082 ( -2.776 0.000 -1.229) 3.036 22.221 ( -6.371 0.000 1.707) 6.596 22.283 ( -0.887 0.000 -3.196) 3.317 22.461 ( 1.259 0.000 1.721) 2.132 22.560 ( 1.298 0.000 -1.017) 1.649 22.616 ( -4.348 0.000 -4.173) 6.027 22.819 ( -0.179 0.000 0.995) 1.011 22.931 ( 1.347 0.000 -3.128) 3.405 23.014 ( 0.507 0.000 3.663) 3.698 23.100 ( 1.525 0.000 -1.538) 2.166 23.262 ( -9.380 0.000 -10.287) 13.921 23.278 ( -2.754 0.000 0.987) 2.926 23.459 ( -0.569 0.000 -1.237) 1.361 23.514 ( -3.118 0.000 -0.378) 3.140 23.654 ( 3.406 0.000 6.285) 7.148 23.694 ( 1.434 0.000 -1.195) 1.867 23.798 ( -1.445 0.000 0.963) 1.736 23.864 ( 2.779 0.000 0.764) 2.882 23.910 ( 0.085 0.000 -0.341) 0.352 24.097 ( 4.176 0.000 0.208) 4.181 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 3.430 9.546 11.935) 15.663 0.523 ( -4.891 12.150 14.392) 19.459 0.837 ( -4.016 20.260 18.710) 27.869 1.134 ( -5.707 -5.775 -10.273) 13.094 1.254 ( 5.058 1.300 -5.348) 7.475 1.389 ( 1.437 -7.631 -2.758) 8.240 1.487 ( 0.804 -8.810 0.463) 8.859 1.604 ( 1.711 -2.336 -1.566) 3.292 1.616 ( 1.819 3.024 -2.711) 4.450 1.716 ( -3.380 -2.219 -2.173) 4.590 1.788 ( 2.486 0.700 1.929) 3.224 1.824 ( -2.423 1.646 6.547) 7.172 1.932 ( -0.576 -1.000 0.731) 1.366 1.973 ( 1.937 1.795 -1.285) 2.937 1.989 ( -0.990 -1.315 3.355) 3.737 2.062 ( -0.878 0.366 1.014) 1.391 2.089 ( 1.630 -2.640 -0.346) 3.122 2.121 ( 1.166 0.849 1.850) 2.345 2.132 ( 3.427 -1.649 2.454) 4.526 2.180 ( 0.854 1.946 1.025) 2.360 2.207 ( -2.063 2.303 -3.586) 4.735 2.259 ( -2.259 -4.051 2.534) 5.285 2.277 ( -1.531 0.783 -0.571) 1.812 2.421 ( -4.264 0.833 3.980) 5.892 2.432 ( -1.507 2.463 2.431) 3.774 2.447 ( 2.414 4.112 -1.250) 4.929 2.476 ( 2.221 -5.584 3.239) 6.826 2.517 ( -1.224 -0.240 1.374) 1.856 2.590 ( 0.096 -1.269 1.864) 2.257 2.635 ( -2.594 5.625 -7.670) 9.859 2.661 ( -0.784 2.389 1.210) 2.790 2.737 ( -0.245 0.854 1.423) 1.677 2.754 ( 1.312 -1.928 1.799) 2.945 2.803 ( -1.977 -2.070 -0.694) 2.945 2.833 ( -1.234 1.032 -2.529) 2.997 2.870 ( -1.679 2.080 -0.203) 2.680 2.920 ( 0.837 0.116 1.617) 1.825 2.994 ( 2.990 -2.105 4.472) 5.776 3.143 ( 0.458 0.626 -0.666) 1.022 3.252 ( -1.157 2.954 2.129) 3.821 3.275 ( 2.929 -0.511 -0.988) 3.133 3.377 ( -4.743 1.599 -0.589) 5.040 3.423 ( -1.981 -2.869 -2.068) 4.054 3.465 ( -0.486 1.129 -0.734) 1.432 3.527 ( 3.572 0.919 3.236) 4.906 3.560 ( -0.479 -3.332 -1.971) 3.901 3.653 ( -4.718 -1.636 0.683) 5.041 3.681 ( 3.850 -1.791 -1.760) 4.596 3.767 ( 4.891 2.692 3.330) 6.501 3.780 ( -0.949 0.335 -0.602) 1.173 3.946 ( -1.398 0.732 -2.428) 2.896 3.968 ( -3.086 -0.978 -0.281) 3.250 4.194 ( 4.252 -2.108 0.860) 4.823 4.310 ( 3.485 -1.030 -1.032) 3.778 4.417 ( -2.176 3.792 -1.851) 4.748 4.511 ( 1.171 0.385 -5.765) 5.895 4.671 ( -1.804 -5.526 -0.214) 5.817 4.722 ( -4.089 -4.901 -3.598) 7.327 4.835 ( -2.081 1.909 0.615) 2.890 4.888 ( -2.375 2.326 -0.233) 3.333 5.068 ( -6.272 0.913 3.828) 7.404 5.174 ( 9.848 -4.018 1.423) 10.731 5.271 ( 2.176 0.670 -0.111) 2.279 5.312 ( 2.970 -5.761 3.809) 7.518 5.351 ( -2.754 -4.408 3.397) 6.210 5.473 ( 0.889 -3.965 -3.141) 5.135 5.522 ( -1.109 1.325 -2.853) 3.335 5.605 ( 4.268 1.428 0.384) 4.517 5.666 ( 0.699 -1.473 -2.302) 2.820 5.716 ( -0.256 -0.798 -4.780) 4.853 5.907 ( -1.794 -2.733 -0.392) 3.293 5.991 ( -2.026 -0.925 -0.440) 2.270 6.012 ( -2.209 -3.532 2.315) 4.766 6.162 ( -0.255 -2.176 -0.709) 2.303 6.210 ( -0.367 0.440 -1.476) 1.583 6.299 ( 2.322 3.145 -0.718) 3.975 6.404 ( -3.601 -2.169 2.325) 4.804 6.454 ( 0.133 7.605 -0.701) 7.638 6.549 ( 0.232 1.303 5.007) 5.179 6.697 ( 0.067 6.625 3.890) 7.683 6.806 ( 2.188 -0.081 -3.711) 4.309 7.050 ( 3.619 2.257 -4.773) 6.400 7.254 ( -7.376 -1.465 4.595) 8.813 7.397 ( 0.354 -0.311 -0.128) 0.489 8.495 ( 1.236 -0.180 3.122) 3.362 8.532 ( -2.746 -0.648 3.966) 4.867 8.706 ( 0.581 -0.053 -1.439) 1.552 8.726 ( -0.844 -0.399 -0.069) 0.936 8.732 ( -2.805 -0.507 -1.388) 3.170 8.825 ( -0.921 -1.387 -0.914) 1.899 8.902 ( -4.719 2.161 -5.077) 7.261 8.973 ( 3.364 0.814 -2.811) 4.459 9.098 ( 2.145 1.910 3.310) 4.382 9.138 ( -1.221 3.519 3.079) 4.832 9.203 ( 1.373 1.070 -2.073) 2.707 9.248 ( -0.558 -3.915 2.813) 4.853 9.364 ( -2.249 0.171 3.851) 4.463 9.478 ( 3.856 -0.706 3.537) 5.280 9.538 ( 4.599 3.309 -5.178) 7.676 9.607 ( 2.404 -3.259 -1.059) 4.186 9.721 ( -1.140 -1.973 2.232) 3.189 9.752 ( 0.909 -0.156 0.533) 1.065 9.845 ( 0.567 0.560 0.497) 0.939 9.890 ( 1.320 -0.704 -0.484) 1.573 10.027 ( -1.227 1.868 -3.405) 4.073 10.065 ( -1.477 -1.561 -4.368) 4.868 10.189 ( 0.324 -1.126 1.558) 1.949 10.236 ( 7.193 -2.287 1.651) 7.726 10.288 ( -6.066 2.253 1.260) 6.592 10.361 ( -2.046 1.609 -0.407) 2.634 10.535 ( -2.730 0.972 -1.271) 3.165 10.567 ( 1.082 4.305 -7.701) 8.889 10.635 ( -7.551 -0.738 -3.479) 8.346 10.678 ( -0.548 -0.056 -2.109) 2.180 10.935 ( -0.903 0.346 -0.031) 0.967 10.949 ( 0.708 0.784 -0.118) 1.063 11.245 ( 4.732 -0.690 6.287) 7.899 11.295 ( 1.076 -3.454 1.645) 3.974 11.420 ( -1.965 2.530 -1.573) 3.569 11.592 ( -3.064 -2.533 -2.846) 4.889 12.158 ( -0.463 2.991 -2.291) 3.796 12.165 ( -0.816 4.112 -4.645) 6.257 12.280 ( -2.940 0.664 0.323) 3.031 12.322 ( 2.770 0.319 0.238) 2.799 12.742 ( 0.452 1.635 5.038) 5.316 12.892 ( -0.646 -2.123 3.398) 4.059 13.036 ( 1.124 0.647 -0.706) 1.477 13.074 ( -0.638 -0.071 -1.419) 1.557 13.492 ( 0.652 2.561 0.115) 2.645 13.586 ( -0.844 5.493 -3.752) 6.705 13.679 ( -0.463 1.057 -7.275) 7.366 13.799 ( -2.690 -1.391 -3.430) 4.576 13.997 ( -2.343 2.981 5.421) 6.615 14.073 ( 0.620 1.619 0.077) 1.735 14.295 ( 3.222 -1.272 -0.139) 3.467 14.319 ( 3.157 -0.302 -0.232) 3.180 14.907 ( 1.442 0.298 2.874) 3.229 14.972 ( 7.915 -2.537 3.573) 9.047 15.099 ( 0.270 1.505 -2.565) 2.986 15.187 ( -0.885 -2.398 -1.193) 2.821 15.254 ( -1.171 0.881 -0.468) 1.538 15.294 ( 4.025 -0.039 1.224) 4.207 15.322 ( -1.422 1.362 -2.220) 2.967 15.402 ( -1.971 -0.530 -0.281) 2.061 19.379 ( -1.528 0.195 0.194) 1.553 19.403 ( 0.654 -0.324 -0.398) 0.832 19.576 ( 2.354 2.708 -1.089) 3.750 19.668 ( -13.604 0.627 -2.665) 13.877 20.223 ( -0.549 1.068 1.492) 1.916 20.353 ( -0.498 0.729 1.243) 1.525 20.391 ( 1.325 -0.342 3.740) 3.983 20.774 ( -3.403 -12.605 2.729) 13.338 21.180 ( -0.713 -0.777 2.042) 2.299 21.285 ( 4.795 -5.880 9.650) 12.276 21.385 ( 2.058 3.872 -1.900) 4.779 21.679 ( 1.603 -3.673 2.214) 4.578 21.741 ( -1.863 -3.329 -0.694) 3.878 21.767 ( 0.792 -3.255 4.973) 5.996 22.028 ( -2.611 -2.266 -0.606) 3.510 22.067 ( 2.077 -0.970 -1.168) 2.572 22.122 ( 2.481 3.669 2.744) 5.211 22.215 ( 6.077 7.798 -2.482) 10.193 22.297 ( 1.844 0.010 -0.157) 1.851 22.410 ( -4.163 -0.405 -2.794) 5.030 22.541 ( 1.805 2.593 2.151) 3.822 22.624 ( -2.214 2.285 -0.951) 3.321 22.718 ( -6.207 -3.734 0.711) 7.279 22.792 ( -4.590 -5.028 -1.798) 7.041 22.987 ( 2.285 -0.795 1.459) 2.826 23.074 ( 3.551 -4.095 3.229) 6.309 23.151 ( -0.255 0.544 0.682) 0.909 23.267 ( -0.079 0.141 -2.794) 2.798 23.453 ( 0.284 0.136 -0.247) 0.401 23.488 ( -0.265 0.356 -1.225) 1.303 23.666 ( -1.055 -3.029 3.209) 4.537 23.713 ( -0.710 -1.669 -0.164) 1.821 23.774 ( 2.042 -0.239 2.980) 3.621 23.815 ( -1.015 -1.135 5.749) 5.947 23.926 ( -0.082 2.782 -1.769) 3.298 24.121 ( -1.269 -0.479 -4.265) 4.475 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 7.164 5.088 7.956) 11.854 0.758 ( 9.667 11.447 11.691) 19.004 0.948 ( 9.579 -1.520 -3.495) 10.309 1.113 ( 9.396 7.334 2.089) 12.101 1.402 ( 11.684 5.735 3.943) 13.600 1.468 ( 8.277 -6.380 -1.333) 10.536 1.516 ( 3.898 -7.798 -2.866) 9.177 1.607 ( 3.820 -3.232 -3.746) 6.251 1.667 ( 2.688 -3.648 -1.131) 4.671 1.729 ( 4.615 -0.501 -0.991) 4.747 1.835 ( 2.492 -0.721 -1.885) 3.207 1.863 ( 0.690 1.451 5.925) 6.139 1.938 ( -1.524 -2.415 1.603) 3.275 1.998 ( 1.821 2.027 1.607) 3.164 2.017 ( -1.911 1.465 0.488) 2.457 2.036 ( 2.886 4.775 3.933) 6.826 2.087 ( -1.612 -0.911 -1.043) 2.125 2.158 ( -2.877 -0.628 -0.410) 2.974 2.181 ( 2.984 -1.109 3.575) 4.787 2.197 ( 0.084 -1.298 -1.288) 1.831 2.231 ( 3.829 2.158 1.480) 4.638 2.254 ( 3.772 -2.265 -0.104) 4.401 2.298 ( 2.443 -0.351 2.012) 3.184 2.366 ( -3.293 -0.396 4.689) 5.743 2.406 ( -0.495 5.644 1.391) 5.834 2.446 ( -0.293 1.589 -1.668) 2.323 2.507 ( 0.580 -0.657 -2.237) 2.403 2.540 ( 1.365 -2.270 2.968) 3.978 2.545 ( -1.569 3.366 -3.902) 5.387 2.628 ( 2.291 1.435 1.346) 3.020 2.667 ( -0.850 -1.799 1.863) 2.725 2.740 ( -0.245 0.857 -0.078) 0.895 2.757 ( -2.280 -1.230 -1.058) 2.798 2.772 ( 0.165 -1.620 0.022) 1.629 2.824 ( 0.919 -0.706 2.802) 3.032 2.844 ( -0.903 2.376 -1.765) 3.094 2.951 ( 1.307 0.614 2.114) 2.560 3.078 ( 0.790 -3.613 3.280) 4.943 3.125 ( 0.089 -2.227 -0.879) 2.396 3.225 ( -6.914 1.787 -2.629) 7.610 3.256 ( -2.281 3.503 6.362) 7.612 3.312 ( 0.195 -1.193 -2.051) 2.381 3.373 ( -3.378 -0.751 -1.122) 3.638 3.416 ( -4.204 0.686 -1.059) 4.389 3.493 ( -5.058 -0.547 -2.334) 5.598 3.542 ( -4.350 0.365 -0.122) 4.367 3.583 ( -0.265 -0.191 -0.916) 0.972 3.707 ( -1.115 -0.079 -1.529) 1.894 3.751 ( -0.498 -2.921 0.943) 3.109 3.827 ( -3.856 -1.145 3.865) 5.578 3.891 ( 0.359 3.035 -4.332) 5.302 3.914 ( -3.665 1.386 0.123) 3.920 4.233 ( -0.305 -1.301 1.275) 1.847 4.303 ( -8.440 3.793 -1.475) 9.370 4.344 ( -1.004 -0.424 0.438) 1.174 4.479 ( 0.454 -2.633 -5.411) 6.034 4.637 ( 0.006 -1.603 -1.255) 2.036 4.700 ( 3.107 -1.913 0.260) 3.658 4.761 ( -2.752 2.996 -3.575) 5.416 4.867 ( -0.985 1.327 1.374) 2.149 4.974 ( -5.323 1.715 -0.867) 5.659 5.181 ( -8.520 -4.306 -0.503) 9.560 5.281 ( -3.277 -4.435 3.286) 6.419 5.354 ( -0.735 -1.760 0.282) 1.928 5.393 ( -1.316 -0.345 3.759) 3.997 5.438 ( 4.190 -1.013 1.244) 4.487 5.539 ( 1.827 1.830 0.693) 2.677 5.650 ( -0.417 -3.973 -4.396) 5.940 5.660 ( 0.211 -0.026 -5.250) 5.254 5.729 ( 6.414 -1.046 -0.519) 6.520 5.902 ( 2.287 -4.031 -0.074) 4.635 5.949 ( -1.660 -6.039 0.550) 6.287 6.007 ( 0.683 0.215 -1.179) 1.379 6.139 ( -3.172 1.194 0.867) 3.498 6.209 ( 0.038 -2.196 0.402) 2.233 6.294 ( -7.338 3.953 0.985) 8.393 6.357 ( 1.647 1.432 -0.881) 2.354 6.440 ( 0.915 4.577 -2.804) 5.445 6.620 ( 3.018 -0.256 5.129) 5.957 6.732 ( 1.395 5.156 2.924) 6.089 6.798 ( 0.009 0.569 -2.099) 2.175 7.088 ( 4.352 0.996 -6.554) 7.930 7.188 ( -3.277 2.611 4.074) 5.844 7.405 ( -0.168 -1.503 1.732) 2.300 8.518 ( -1.199 1.015 3.441) 3.783 8.566 ( 3.499 -0.879 4.030) 5.409 8.692 ( -0.743 0.224 -0.583) 0.971 8.712 ( -0.312 0.121 -0.160) 0.371 8.720 ( 0.616 1.452 -2.080) 2.610 8.805 ( -0.138 -0.785 -1.921) 2.079 8.858 ( 2.645 0.490 -1.288) 2.983 8.994 ( 1.253 -1.402 -3.894) 4.325 9.088 ( -4.559 2.044 2.794) 5.725 9.173 ( 2.182 1.977 0.899) 3.078 9.218 ( 1.808 -1.432 1.108) 2.559 9.299 ( 2.596 -2.566 5.174) 6.332 9.346 ( -1.850 0.385 2.768) 3.351 9.542 ( 0.578 2.618 -5.563) 6.175 9.569 ( 2.749 0.391 -0.548) 2.830 9.610 ( -0.851 -3.666 -1.782) 4.164 9.733 ( 1.073 -1.396 1.323) 2.202 9.764 ( 0.044 -0.786 1.949) 2.102 9.835 ( -1.009 2.278 1.441) 2.878 9.940 ( 2.654 -1.082 -3.717) 4.694 9.974 ( -1.168 -0.549 -1.863) 2.266 10.006 ( -1.855 -2.526 -0.149) 3.138 10.146 ( -8.552 1.325 5.551) 10.281 10.198 ( -4.319 0.970 0.009) 4.426 10.275 ( -1.975 2.986 -3.812) 5.230 10.297 ( -3.395 1.913 -1.512) 4.180 10.523 ( 2.071 -1.030 -2.705) 3.559 10.537 ( 0.860 -1.342 -2.953) 3.356 10.585 ( 3.691 2.128 0.826) 4.340 10.696 ( 4.592 0.272 -0.950) 4.697 10.936 ( 0.431 0.035 0.612) 0.750 10.974 ( 1.397 1.076 0.301) 1.789 11.283 ( -2.498 -0.549 3.479) 4.318 11.355 ( -2.963 2.763 -2.282) 4.650 11.388 ( 4.781 -2.019 6.534) 8.345 11.503 ( -4.041 -2.096 -5.581) 7.202 12.093 ( -2.371 2.622 -2.295) 4.215 12.167 ( 1.111 5.231 -2.107) 5.747 12.218 ( -3.377 0.403 0.311) 3.415 12.403 ( 5.437 -1.170 0.782) 5.616 12.793 ( 0.874 1.474 4.398) 4.721 12.935 ( 1.396 -2.763 1.171) 3.310 13.040 ( -0.734 0.763 0.261) 1.091 13.064 ( 1.379 -0.104 -2.328) 2.708 13.510 ( 0.973 2.722 0.492) 2.932 13.522 ( -2.305 5.336 -3.726) 6.904 13.670 ( 1.351 -1.218 0.570) 1.906 13.717 ( -3.109 -1.581 -4.644) 5.808 13.968 ( -4.076 2.278 4.986) 6.831 14.084 ( -0.893 -0.399 1.435) 1.737 14.219 ( -6.534 1.960 -0.608) 6.849 14.375 ( 2.226 -1.348 0.708) 2.697 14.966 ( 1.098 0.798 3.984) 4.209 15.057 ( 0.937 -0.530 -0.435) 1.161 15.098 ( -0.090 -1.250 -2.316) 2.633 15.153 ( 0.638 -1.391 -3.763) 4.063 15.222 ( -2.307 1.367 0.629) 2.754 15.268 ( -3.101 -0.169 -0.311) 3.121 15.333 ( -3.094 0.908 -2.195) 3.901 15.416 ( 5.392 -2.794 0.466) 6.091 19.449 ( 10.525 -0.052 -0.946) 10.568 19.487 ( 9.067 -0.897 0.273) 9.116 19.700 ( 11.714 1.348 -0.169) 11.792 19.719 ( 12.878 1.689 -2.718) 13.270 20.222 ( -0.841 0.839 1.793) 2.151 20.353 ( -0.065 2.008 0.767) 2.150 20.428 ( -0.443 -2.393 4.385) 5.016 20.683 ( -6.041 -1.073 -0.067) 6.136 21.168 ( -1.443 -0.840 1.976) 2.587 21.339 ( 0.302 3.146 -0.909) 3.289 21.415 ( -2.033 -4.341 4.448) 6.539 21.665 ( -2.835 -2.475 -3.763) 5.322 21.689 ( -2.656 -3.777 1.794) 4.954 21.812 ( -0.441 -8.005 2.894) 8.523 22.056 ( 5.954 0.050 -1.392) 6.114 22.120 ( 2.739 -0.856 -0.025) 2.870 22.176 ( -0.503 1.967 0.756) 2.166 22.244 ( -1.024 7.109 2.707) 7.676 22.331 ( 2.405 -0.345 -0.937) 2.604 22.338 ( 0.768 1.390 -2.777) 3.199 22.587 ( 2.029 3.463 0.799) 4.092 22.612 ( 1.162 -1.260 -0.469) 1.777 22.651 ( -1.668 -4.787 0.128) 5.071 22.767 ( 0.531 -3.746 0.054) 3.784 23.062 ( 3.933 -1.508 2.021) 4.672 23.109 ( 0.346 0.828 -2.559) 2.712 23.183 ( 2.771 -3.406 1.852) 4.765 23.253 ( 0.648 -0.123 -3.515) 3.576 23.477 ( 2.396 -0.424 0.181) 2.440 23.489 ( 1.021 0.079 -1.135) 1.529 23.644 ( -2.394 -0.623 1.468) 2.877 23.719 ( 0.693 -0.291 0.534) 0.922 23.778 ( -1.752 -1.123 1.182) 2.393 23.860 ( -0.450 -2.052 4.979) 5.404 23.913 ( 0.518 2.352 -0.922) 2.579 24.056 ( -2.462 1.521 -3.309) 4.396 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 13.024 2.302 -2.590) 13.477 0.952 ( 8.227 5.973 8.857) 13.483 1.184 ( 13.216 0.887 7.487) 15.215 1.315 ( 9.723 2.556 -0.214) 10.055 1.520 ( 4.837 -2.442 -6.203) 8.236 1.605 ( 5.378 -0.677 -4.785) 7.230 1.681 ( 3.052 -3.410 2.633) 5.279 1.719 ( 12.467 2.770 4.487) 13.537 1.740 ( 5.925 -6.212 -0.293) 8.590 1.755 ( -3.903 -0.676 -0.403) 3.982 1.794 ( -2.637 -0.249 -4.868) 5.542 1.854 ( -1.848 1.291 -3.415) 4.092 1.906 ( 1.313 1.637 0.562) 2.173 2.010 ( -0.880 2.187 -0.098) 2.360 2.053 ( 0.443 1.362 1.654) 2.188 2.093 ( 0.640 0.235 3.801) 3.862 2.137 ( 3.446 0.067 4.667) 5.801 2.150 ( 5.564 1.688 2.907) 6.500 2.201 ( 5.831 1.368 -0.279) 5.996 2.243 ( 0.681 -5.506 -1.572) 5.766 2.288 ( 3.969 -0.701 0.039) 4.030 2.334 ( 4.406 -0.218 0.505) 4.440 2.372 ( 3.110 -0.948 4.003) 5.157 2.388 ( 0.377 2.942 1.693) 3.415 2.419 ( 2.143 2.033 -0.073) 2.955 2.449 ( 1.539 0.716 0.079) 1.699 2.471 ( -0.919 -2.386 0.458) 2.598 2.532 ( -2.331 -3.427 -1.446) 4.389 2.594 ( 2.520 6.793 -1.909) 7.492 2.633 ( -1.271 -0.657 -4.858) 5.064 2.659 ( -2.899 -0.562 3.100) 4.281 2.722 ( 2.587 -4.044 2.453) 5.391 2.760 ( 2.144 0.687 0.665) 2.347 2.793 ( 0.642 1.056 -0.243) 1.259 2.835 ( 2.233 4.458 -0.653) 5.029 2.892 ( 4.004 -1.402 4.096) 5.897 3.006 ( 4.581 -1.198 2.841) 5.521 3.014 ( -6.641 -6.693 1.225) 9.508 3.132 ( -1.005 0.075 -3.903) 4.031 3.139 ( -2.524 -0.287 4.234) 4.937 3.199 ( -8.284 -0.604 -2.672) 8.725 3.269 ( -3.838 -0.965 -2.171) 4.514 3.291 ( -1.125 2.429 2.376) 3.579 3.350 ( -3.778 0.096 -0.226) 3.786 3.428 ( -1.683 -0.465 0.553) 1.831 3.482 ( -2.044 2.098 -0.130) 2.932 3.555 ( -2.622 -0.597 0.055) 2.690 3.638 ( -3.357 3.559 -1.739) 5.192 3.729 ( -6.769 -3.128 -0.328) 7.464 3.755 ( -0.785 -2.657 -0.366) 2.794 3.812 ( -6.474 1.750 -1.717) 6.922 3.863 ( -3.346 2.438 -3.214) 5.242 4.134 ( -8.916 3.017 3.538) 10.056 4.257 ( -1.616 -1.319 -0.779) 2.227 4.299 ( 1.343 0.926 -0.621) 1.745 4.510 ( 3.373 -1.753 0.056) 3.801 4.575 ( -4.698 1.275 -3.363) 5.917 4.709 ( -2.427 1.554 -0.317) 2.899 4.812 ( 6.765 -1.379 -1.111) 6.992 4.878 ( 1.372 1.056 -0.631) 1.843 4.908 ( -0.454 -1.522 -0.528) 1.673 5.023 ( -5.286 -2.065 -1.022) 5.767 5.224 ( -9.802 3.902 4.336) 11.406 5.267 ( -1.641 -6.139 -0.049) 6.355 5.423 ( 0.917 -2.282 2.023) 3.185 5.500 ( -0.300 -1.784 3.599) 4.028 5.534 ( -3.629 -1.430 -0.263) 3.910 5.604 ( 0.986 3.081 -1.653) 3.633 5.671 ( 1.309 -2.473 -2.735) 3.913 5.773 ( 0.052 3.509 -2.491) 4.304 5.959 ( -0.333 -4.446 0.755) 4.521 5.965 ( 3.800 -6.437 -3.287) 8.166 6.004 ( -2.398 -3.165 -0.375) 3.989 6.081 ( -0.796 0.237 2.429) 2.567 6.139 ( -5.912 -0.372 1.181) 6.040 6.205 ( -2.566 -1.261 -0.212) 2.867 6.376 ( 1.744 5.536 -0.448) 5.822 6.465 ( 2.764 5.368 -2.760) 6.638 6.682 ( 0.352 -2.832 2.178) 3.590 6.778 ( -1.388 7.500 4.259) 8.736 6.805 ( 5.737 -1.720 -4.982) 7.791 7.106 ( 2.865 0.264 -4.219) 5.106 7.199 ( 2.243 3.796 -0.008) 4.409 7.404 ( -2.571 -2.227 4.260) 5.451 8.531 ( 0.090 1.764 2.963) 3.449 8.639 ( 1.311 -1.047 2.994) 3.432 8.676 ( -1.373 0.682 2.407) 2.853 8.708 ( -0.305 0.498 -0.512) 0.777 8.736 ( 2.224 0.563 0.926) 2.474 8.827 ( 4.114 -1.589 -2.706) 5.174 8.923 ( 3.918 -1.533 0.029) 4.207 8.981 ( 0.180 -1.356 -2.344) 2.714 9.027 ( -3.196 1.370 0.634) 3.534 9.164 ( -1.766 -2.128 -0.880) 2.902 9.293 ( 4.300 1.798 -0.391) 4.677 9.330 ( -0.644 0.185 2.651) 2.734 9.386 ( 2.550 -2.097 3.643) 4.917 9.467 ( -3.367 2.733 -7.055) 8.281 9.540 ( -2.467 -0.568 -7.956) 8.349 9.578 ( -2.440 -3.337 1.035) 4.262 9.768 ( 1.803 0.090 -1.825) 2.567 9.787 ( 1.009 -2.041 3.247) 3.966 9.840 ( 0.230 1.920 1.598) 2.509 9.914 ( 0.976 0.957 -2.423) 2.782 9.925 ( -5.586 -0.341 0.531) 5.621 10.002 ( -1.614 -2.338 -1.305) 3.126 10.088 ( -2.930 -0.992 2.464) 3.955 10.108 ( -1.611 2.734 1.895) 3.696 10.218 ( -4.695 -1.751 0.239) 5.017 10.263 ( 2.593 0.638 -0.678) 2.755 10.545 ( 2.818 -0.391 -2.466) 3.765 10.575 ( 2.750 -0.980 -1.279) 3.187 10.644 ( 2.477 4.177 2.499) 5.461 10.819 ( 3.614 -2.194 2.686) 5.009 10.965 ( 4.759 0.931 1.193) 4.994 10.993 ( 0.793 2.099 0.798) 2.381 11.240 ( -1.885 1.354 -0.489) 2.372 11.310 ( -2.530 1.835 1.382) 3.418 11.372 ( -5.644 -0.855 -7.058) 9.078 11.512 ( 3.819 -3.087 5.642) 7.480 12.049 ( -1.387 1.090 -1.023) 2.040 12.163 ( -2.678 1.999 0.572) 3.390 12.180 ( 0.856 4.253 -0.707) 4.395 12.495 ( 4.173 -2.221 -0.218) 4.732 12.816 ( -0.929 1.403 3.004) 3.443 12.940 ( -1.105 -2.546 0.770) 2.880 13.027 ( -0.365 1.950 -0.306) 2.008 13.087 ( 1.872 -0.472 -0.617) 2.027 13.479 ( -0.665 2.971 -1.399) 3.350 13.527 ( 0.421 2.869 0.425) 2.931 13.648 ( -1.403 -1.468 -3.257) 3.838 13.712 ( 1.757 -1.267 2.923) 3.638 13.927 ( -3.295 1.218 2.182) 4.136 14.017 ( -6.691 -1.630 -0.482) 6.904 14.144 ( -1.519 4.213 -0.995) 4.587 14.390 ( -0.343 -2.290 -1.362) 2.686 14.976 ( -1.879 0.992 2.988) 3.666 15.056 ( -1.290 -0.963 0.850) 1.820 15.072 ( -0.178 0.181 -1.081) 1.110 15.115 ( -1.347 -0.438 -4.822) 5.025 15.194 ( -3.090 0.560 1.091) 3.324 15.240 ( -1.004 -0.999 -0.116) 1.421 15.305 ( 3.312 2.532 -0.683) 4.225 15.475 ( 1.131 -2.474 -0.177) 2.726 19.685 ( 14.656 -0.520 -0.652) 14.679 19.692 ( 13.195 -0.378 -0.088) 13.200 19.920 ( 9.803 1.432 1.868) 10.081 19.930 ( 13.142 0.958 -3.430) 13.616 20.216 ( -1.259 0.618 2.128) 2.548 20.368 ( 1.056 0.901 1.527) 2.064 20.427 ( -1.739 -2.086 1.241) 2.986 20.587 ( -4.766 2.171 0.167) 5.240 21.163 ( -0.229 -0.822 1.577) 1.793 21.336 ( 0.073 4.062 -2.178) 4.610 21.371 ( -4.305 -4.504 3.586) 7.189 21.570 ( -5.828 0.522 -0.382) 5.864 21.667 ( -0.388 -4.189 -1.096) 4.347 21.816 ( 0.201 -7.016 0.237) 7.023 22.090 ( -2.303 3.245 -1.525) 4.262 22.095 ( -3.974 3.186 0.924) 5.176 22.200 ( 3.855 1.048 -0.057) 3.995 22.283 ( 3.921 0.794 -0.455) 4.026 22.377 ( 2.436 -0.954 2.143) 3.382 22.395 ( 5.736 2.103 -0.926) 6.179 22.573 ( -2.293 0.709 1.028) 2.610 22.640 ( 0.349 1.865 0.081) 1.899 22.668 ( 3.970 -7.529 -2.638) 8.911 22.776 ( -1.135 -2.799 1.818) 3.526 23.085 ( -0.615 -0.824 -0.690) 1.238 23.137 ( 2.817 -0.715 -0.592) 2.966 23.214 ( -0.195 -2.294 -1.001) 2.511 23.267 ( 3.367 -1.897 -0.912) 3.971 23.499 ( 0.809 -0.539 -0.131) 0.981 23.536 ( 3.713 0.136 0.115) 3.717 23.614 ( -1.381 1.604 -0.641) 2.212 23.728 ( -1.529 1.667 1.869) 2.934 23.753 ( 0.169 -3.130 -1.019) 3.296 23.857 ( -1.350 0.674 2.000) 2.505 23.929 ( -0.042 0.463 1.367) 1.444 24.004 ( -1.517 1.779 -2.061) 3.116 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 12.312 1.291 -1.620) 12.485 1.141 ( 5.006 2.130 7.740) 9.461 1.404 ( 0.469 2.174 6.044) 6.440 1.458 ( 5.662 -2.101 4.128) 7.315 1.478 ( -8.730 4.236 4.628) 10.750 1.601 ( -0.377 3.918 -7.791) 8.729 1.630 ( 0.948 -3.108 -1.906) 3.767 1.704 ( -1.259 2.266 -4.371) 5.082 1.755 ( 2.534 -1.608 -9.832) 10.280 1.774 ( 2.879 0.721 0.386) 2.992 1.814 ( 0.417 -0.098 -3.766) 3.790 1.885 ( -1.853 0.448 -4.207) 4.619 1.920 ( 4.952 -3.291 2.606) 6.492 2.012 ( -0.329 3.893 3.179) 5.037 2.093 ( -1.934 -1.350 -0.111) 2.361 2.147 ( 1.630 -2.452 1.749) 3.424 2.204 ( 2.507 -1.915 1.458) 3.476 2.218 ( 3.093 -1.826 -3.551) 5.051 2.292 ( 1.809 0.009 1.720) 2.496 2.332 ( 0.050 -0.569 1.419) 1.529 2.347 ( 4.870 1.376 0.821) 5.127 2.376 ( 1.303 -0.583 0.402) 1.483 2.398 ( -1.854 -2.415 -2.682) 4.058 2.403 ( -1.654 -0.767 -2.585) 3.163 2.457 ( -0.162 0.137 2.217) 2.227 2.471 ( 2.653 0.170 1.374) 2.992 2.473 ( 3.796 -0.881 4.109) 5.663 2.546 ( 0.196 0.495 3.517) 3.557 2.589 ( -1.772 -0.291 -0.899) 2.008 2.606 ( 5.494 -0.793 3.251) 6.433 2.643 ( -1.705 1.930 0.610) 2.647 2.731 ( -3.645 1.119 2.519) 4.570 2.778 ( -3.133 1.233 -1.202) 3.575 2.825 ( 4.706 0.295 0.579) 4.751 2.871 ( 2.715 0.007 -0.320) 2.733 2.936 ( -3.371 -1.214 2.343) 4.281 2.994 ( -0.013 -0.702 0.216) 0.734 3.027 ( 1.595 -1.718 -2.576) 3.483 3.100 ( -3.959 0.143 1.525) 4.245 3.145 ( -3.175 -2.125 0.775) 3.898 3.169 ( 6.648 -1.641 2.518) 7.295 3.208 ( 3.717 1.422 -1.339) 4.199 3.272 ( -2.476 0.038 0.473) 2.521 3.289 ( -3.234 -1.445 1.300) 3.773 3.412 ( -0.689 0.182 2.792) 2.882 3.461 ( 0.791 3.829 -3.018) 4.939 3.504 ( -4.436 -0.368 1.365) 4.656 3.587 ( -5.271 3.059 -1.283) 6.228 3.642 ( 2.600 2.650 -0.901) 3.820 3.698 ( -3.179 0.781 -3.412) 4.728 3.723 ( -1.626 -2.354 0.007) 2.861 3.774 ( -2.458 1.023 -2.765) 3.839 4.028 ( -5.541 1.026 2.575) 6.196 4.207 ( -1.018 -5.125 -0.997) 5.319 4.364 ( 2.457 2.063 -1.145) 3.407 4.457 ( -2.082 -0.934 -7.586) 7.922 4.589 ( 2.818 1.746 2.523) 4.166 4.634 ( -4.419 0.097 1.561) 4.688 4.821 ( -1.272 1.087 -1.275) 2.104 4.916 ( 1.846 -0.162 1.604) 2.451 5.000 ( 10.318 -1.091 -2.838) 10.756 5.030 ( -2.557 -1.228 3.438) 4.457 5.074 ( -3.437 1.648 3.306) 5.046 5.277 ( 0.247 -6.918 -0.042) 6.923 5.396 ( -7.911 -3.007 6.008) 10.379 5.462 ( -0.500 -2.035 2.104) 2.970 5.517 ( 0.681 0.759 -2.524) 2.722 5.615 ( 0.341 5.210 -1.674) 5.483 5.675 ( -0.428 -1.138 0.341) 1.262 5.753 ( -0.049 2.105 -1.031) 2.345 5.877 ( -1.821 1.510 -2.358) 3.341 5.954 ( -2.365 -2.717 -0.549) 3.644 5.992 ( 0.868 -4.027 -2.132) 4.638 6.092 ( -1.818 -1.722 0.698) 2.600 6.122 ( 1.460 -4.624 0.081) 4.850 6.203 ( 1.615 -2.834 3.445) 4.744 6.414 ( 0.562 3.931 1.945) 4.422 6.486 ( 3.100 7.193 -5.060) 9.325 6.672 ( -1.460 -0.786 0.738) 1.814 6.742 ( -4.210 3.370 1.203) 5.525 6.893 ( 6.692 -0.631 -4.795) 8.257 7.130 ( 2.247 3.685 -6.096) 7.470 7.252 ( 1.709 -1.436 3.582) 4.221 7.366 ( -3.971 -0.487 4.074) 5.710 8.553 ( 0.169 0.793 2.784) 2.899 8.652 ( -0.027 -0.364 0.910) 0.980 8.673 ( -1.931 -0.571 3.924) 4.410 8.701 ( -0.484 0.476 0.427) 0.802 8.783 ( 1.549 0.605 2.142) 2.712 8.885 ( 1.195 -2.378 0.394) 2.690 8.943 ( 1.191 -0.265 -3.450) 3.659 8.988 ( -0.528 -0.837 0.512) 1.114 9.010 ( 2.192 0.768 -1.977) 3.050 9.130 ( -0.278 -2.564 -0.697) 2.671 9.332 ( 2.947 2.982 -7.644) 8.719 9.340 ( -3.059 -0.580 -0.697) 3.191 9.367 ( 0.519 0.957 -1.683) 2.005 9.434 ( -0.344 -2.309 0.476) 2.382 9.446 ( -0.919 -0.151 -6.087) 6.157 9.553 ( -0.776 -2.611 0.932) 2.879 9.756 ( -1.113 1.891 -2.719) 3.494 9.808 ( -3.985 -1.194 0.112) 4.162 9.837 ( 0.456 -0.713 4.563) 4.640 9.866 ( 0.697 0.996 -2.008) 2.348 9.942 ( 0.016 2.207 2.886) 3.633 9.972 ( 0.327 -2.911 -1.834) 3.456 10.033 ( -0.573 -1.580 -0.285) 1.705 10.106 ( -3.030 -1.262 -2.392) 4.061 10.196 ( 1.317 -1.382 5.529) 5.850 10.322 ( 2.110 -0.993 1.651) 2.857 10.580 ( 2.665 0.170 -1.121) 2.896 10.610 ( 2.378 0.758 -0.540) 2.553 10.702 ( 0.372 2.812 3.467) 4.479 10.804 ( -2.025 0.619 1.087) 2.380 11.000 ( -0.128 3.330 1.191) 3.539 11.123 ( 4.269 -0.774 1.093) 4.474 11.211 ( -3.406 1.470 -4.112) 5.538 11.256 ( -0.534 1.391 2.194) 2.652 11.294 ( 2.428 0.564 0.952) 2.669 11.570 ( -0.954 -3.999 2.589) 4.858 12.038 ( 0.567 0.350 0.633) 0.919 12.134 ( -1.207 0.734 2.024) 2.469 12.193 ( 0.831 5.307 -0.081) 5.372 12.529 ( 0.569 -2.825 -2.465) 3.792 12.807 ( -1.534 1.402 1.815) 2.759 12.919 ( -1.080 -2.065 -0.598) 2.406 13.034 ( 0.773 2.307 1.793) 3.023 13.110 ( 0.749 -0.350 0.258) 0.866 13.477 ( 0.700 2.420 0.107) 2.522 13.526 ( -0.466 2.441 -0.404) 2.517 13.636 ( 1.466 -0.936 -0.535) 1.819 13.752 ( -0.261 -1.627 2.967) 3.394 13.876 ( -2.983 1.063 -1.512) 3.510 13.916 ( -2.710 -0.245 0.411) 2.752 14.113 ( -0.740 3.212 -3.321) 4.679 14.352 ( -1.399 -2.466 -4.778) 5.556 14.956 ( -1.923 1.105 2.056) 3.024 15.030 ( -2.206 -0.992 2.506) 3.483 15.075 ( 1.027 0.619 -1.809) 2.170 15.096 ( 1.849 0.590 -0.662) 2.050 15.186 ( 0.597 -0.054 3.059) 3.117 15.217 ( -0.766 -0.709 0.472) 1.145 15.366 ( 2.865 0.811 -2.084) 3.635 15.458 ( -2.117 -1.425 -1.535) 2.978 19.864 ( 5.509 0.149 0.711) 5.556 19.900 ( 7.316 -1.467 -0.388) 7.472 20.033 ( 3.189 3.319 0.788) 4.670 20.122 ( 10.311 0.161 -1.136) 10.374 20.205 ( -1.650 0.651 2.513) 3.076 20.366 ( -3.483 -2.975 1.939) 4.974 20.416 ( 0.968 3.190 -1.680) 3.733 20.517 ( -3.557 1.206 -0.157) 3.759 21.187 ( 2.001 -1.075 1.209) 2.573 21.269 ( -4.997 -2.731 0.631) 5.729 21.384 ( 2.150 3.682 0.671) 4.317 21.475 ( -3.961 0.854 -0.021) 4.052 21.660 ( 0.315 -2.692 -0.845) 2.839 21.817 ( -0.132 -8.104 -1.403) 8.225 22.039 ( -2.824 2.564 -0.781) 3.894 22.041 ( -0.581 4.184 -1.090) 4.363 22.230 ( 0.443 3.239 0.760) 3.356 22.364 ( 3.374 -2.786 -1.650) 4.676 22.411 ( -0.524 -1.937 2.237) 3.005 22.478 ( 2.875 3.264 0.507) 4.379 22.560 ( 0.461 1.547 1.184) 2.001 22.642 ( 0.597 1.463 -0.614) 1.695 22.718 ( 0.614 -6.697 -1.127) 6.819 22.744 ( -0.585 -3.049 1.327) 3.377 23.057 ( -1.578 -1.390 -2.478) 3.251 23.151 ( -0.538 0.326 -2.554) 2.631 23.221 ( 2.037 -3.270 1.499) 4.134 23.324 ( 2.356 -3.930 1.316) 4.767 23.514 ( 0.916 0.338 -0.011) 0.977 23.589 ( -0.252 1.147 -1.294) 1.748 23.594 ( 1.611 1.564 1.054) 2.480 23.695 ( -1.585 -1.478 -0.738) 2.290 23.776 ( 1.258 -0.757 1.265) 1.938 23.852 ( -0.278 0.374 1.159) 1.249 23.918 ( -1.575 2.293 0.707) 2.871 23.978 ( -0.253 1.619 -1.426) 2.172 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -9.533 1.455 3.462) 10.246 1.158 ( -9.729 5.413 0.775) 11.160 1.240 ( -3.542 0.911 6.795) 7.717 1.465 ( -0.094 1.537 -0.209) 1.554 1.490 ( -2.103 1.229 -3.799) 4.513 1.557 ( -1.582 -5.362 1.996) 5.936 1.688 ( 0.800 1.108 -1.992) 2.416 1.714 ( 3.398 1.390 -5.583) 6.682 1.764 ( 2.993 -0.456 -3.891) 4.931 1.784 ( -0.199 -0.979 -2.915) 3.081 1.834 ( 4.258 -0.179 -4.617) 6.283 1.850 ( 3.221 3.853 0.499) 5.047 1.981 ( -4.284 -0.706 2.575) 5.048 2.011 ( -1.850 0.920 1.149) 2.364 2.024 ( -6.637 1.931 0.989) 6.982 2.088 ( -8.490 1.718 1.459) 8.784 2.136 ( -6.359 0.351 -0.595) 6.396 2.230 ( 1.006 -1.854 -2.250) 3.084 2.239 ( -2.092 1.841 2.337) 3.637 2.259 ( -2.745 -0.927 -3.357) 4.434 2.327 ( -2.501 -1.343 -2.512) 3.791 2.350 ( -2.647 -0.660 -2.488) 3.692 2.389 ( -2.260 -2.891 1.237) 3.873 2.431 ( -2.238 -1.014 1.683) 2.978 2.468 ( -0.381 -1.421 2.510) 2.909 2.494 ( -3.722 0.601 1.213) 3.960 2.557 ( -2.498 0.849 0.434) 2.674 2.577 ( 3.618 -4.060 1.077) 5.544 2.580 ( 2.697 -2.023 4.617) 5.717 2.636 ( 4.628 -0.888 3.298) 5.752 2.684 ( -3.907 -2.127 -4.195) 6.114 2.708 ( -0.353 1.757 7.239) 7.458 2.756 ( -0.751 -0.833 2.747) 2.967 2.853 ( -1.295 -1.181 0.495) 1.821 2.898 ( -4.762 3.209 2.625) 6.314 2.937 ( 2.369 -5.213 0.868) 5.792 2.973 ( 0.946 2.572 -1.412) 3.083 3.018 ( -4.735 2.592 -3.257) 6.304 3.068 ( 2.411 -0.744 0.079) 2.525 3.126 ( 4.819 -1.465 1.363) 5.218 3.171 ( -4.673 0.628 2.799) 5.483 3.256 ( -0.413 0.202 -4.697) 4.719 3.286 ( 0.820 0.185 0.341) 0.907 3.309 ( 3.169 -1.178 0.604) 3.435 3.383 ( -1.401 1.986 4.573) 5.179 3.458 ( 1.932 1.688 -3.608) 4.427 3.525 ( 2.783 6.912 -1.385) 7.578 3.531 ( 3.832 1.021 2.965) 4.952 3.637 ( -0.245 -0.558 -4.363) 4.406 3.721 ( 0.061 -1.212 0.450) 1.295 3.765 ( 9.087 -0.877 0.415) 9.138 3.823 ( 8.879 0.326 -0.560) 8.902 4.000 ( 1.356 0.113 1.831) 2.282 4.198 ( 0.541 -4.853 -2.772) 5.615 4.328 ( -2.612 0.001 -2.643) 3.716 4.424 ( 2.849 -2.414 -4.490) 5.840 4.599 ( -1.570 1.406 0.884) 2.286 4.666 ( 3.541 3.185 1.410) 4.967 4.800 ( -0.605 0.199 -0.964) 1.156 4.941 ( -0.550 -0.129 1.173) 1.302 4.998 ( 3.838 3.169 0.419) 4.995 5.111 ( 1.501 -2.719 4.850) 5.759 5.169 ( 7.364 -2.188 -1.569) 7.841 5.197 ( -7.624 -4.251 2.558) 9.096 5.343 ( -4.890 -0.069 5.125) 7.084 5.456 ( -0.471 -2.383 0.614) 2.506 5.532 ( 1.882 -0.182 -1.330) 2.312 5.624 ( -1.834 3.029 -0.711) 3.612 5.647 ( 2.723 -2.039 -0.991) 3.543 5.796 ( 4.415 1.473 0.323) 4.665 5.865 ( 1.398 -0.814 -3.870) 4.194 5.960 ( 1.988 -0.644 1.448) 2.542 6.015 ( 4.643 -0.259 -2.431) 5.247 6.065 ( -0.356 -6.196 -0.231) 6.210 6.148 ( 0.437 -0.675 2.235) 2.375 6.239 ( -1.284 -2.456 4.079) 4.932 6.402 ( -1.391 1.339 -0.426) 1.977 6.511 ( 2.384 7.676 -4.280) 9.106 6.632 ( -3.591 -2.494 -2.609) 5.091 6.685 ( -2.441 6.786 3.185) 7.884 6.943 ( 1.879 -2.494 -5.471) 6.299 7.098 ( -2.939 3.951 -3.640) 6.124 7.232 ( -3.030 -1.594 3.145) 4.649 7.396 ( 2.911 -0.496 3.289) 4.420 8.563 ( -1.400 -0.172 2.767) 3.106 8.644 ( -2.885 -2.699 3.210) 5.090 8.673 ( 0.260 1.085 1.878) 2.184 8.698 ( 0.053 0.718 -0.165) 0.738 8.811 ( -0.034 1.120 2.299) 2.557 8.879 ( -0.776 0.174 0.986) 1.267 8.936 ( 0.729 -0.186 -3.111) 3.201 8.939 ( -3.249 -0.526 -1.033) 3.450 9.068 ( 3.438 -2.053 -1.425) 4.250 9.158 ( 2.218 -4.215 1.430) 4.973 9.249 ( -1.058 1.547 -5.919) 6.208 9.340 ( 0.245 -0.751 -3.434) 3.523 9.391 ( -0.019 0.402 -0.475) 0.622 9.411 ( 2.365 0.069 -7.499) 7.864 9.418 ( -0.851 0.593 -0.838) 1.334 9.559 ( 0.790 -2.326 0.811) 2.587 9.705 ( -2.329 2.478 -2.187) 4.043 9.761 ( -1.251 0.966 -0.081) 1.583 9.855 ( 0.246 -1.549 -0.160) 1.577 9.874 ( 0.105 1.705 -1.187) 2.081 9.949 ( 0.894 0.973 2.610) 2.925 9.981 ( 0.176 -4.660 0.259) 4.670 10.046 ( -1.766 -3.102 0.019) 3.570 10.072 ( 3.513 -2.771 0.806) 4.546 10.262 ( 2.360 1.915 3.831) 4.890 10.336 ( -0.726 2.865 0.718) 3.042 10.615 ( 1.159 0.163 0.389) 1.233 10.636 ( -0.144 1.929 -0.044) 1.935 10.721 ( 1.212 -2.811 4.261) 5.247 10.792 ( -1.489 -2.166 -0.382) 2.656 11.004 ( -0.746 5.847 2.223) 6.299 11.051 ( -5.191 3.237 -0.533) 6.141 11.183 ( -4.069 1.328 -2.431) 4.923 11.258 ( 5.072 2.551 0.534) 5.702 11.462 ( 7.570 -2.641 5.669) 9.819 11.505 ( -6.017 -4.193 -0.740) 7.371 12.078 ( 2.611 1.325 2.334) 3.744 12.140 ( 0.347 3.002 0.508) 3.064 12.216 ( 0.988 1.810 2.897) 3.556 12.484 ( -2.843 -2.715 -4.817) 6.218 12.791 ( -1.425 1.635 1.090) 2.427 12.906 ( 0.790 -1.433 -1.771) 2.412 13.068 ( 0.594 0.557 3.289) 3.389 13.118 ( 0.044 -0.018 0.899) 0.900 13.499 ( 0.736 3.400 0.204) 3.484 13.518 ( 0.966 2.138 0.215) 2.356 13.687 ( 3.498 -0.631 1.677) 3.930 13.710 ( -3.563 0.616 -1.607) 3.957 13.850 ( -0.442 0.766 0.790) 1.186 13.925 ( 2.594 -1.108 1.267) 3.092 14.079 ( 0.006 2.639 -4.424) 5.151 14.293 ( -0.682 -2.207 -7.244) 7.604 14.944 ( -0.792 0.964 1.343) 1.834 15.025 ( -0.078 -1.541 2.048) 2.564 15.102 ( 2.526 1.689 -0.907) 3.171 15.136 ( 1.944 0.588 1.875) 2.764 15.221 ( 1.382 -0.752 0.629) 1.694 15.246 ( 2.325 -0.986 4.636) 5.279 15.348 ( -3.125 0.642 -3.013) 4.388 15.408 ( -0.959 -0.817 -3.762) 3.968 19.853 ( -6.829 0.316 0.411) 6.849 19.906 ( -6.264 -2.082 -0.068) 6.601 20.048 ( -3.285 4.591 0.582) 5.675 20.199 ( -0.440 0.652 1.710) 1.882 20.247 ( 3.193 -2.185 0.372) 3.887 20.319 ( -3.671 -2.154 3.597) 5.573 20.416 ( 1.336 3.466 -0.979) 3.842 20.455 ( -1.678 1.387 -2.521) 3.331 21.192 ( -2.911 -1.986 0.407) 3.548 21.254 ( 3.229 -2.831 1.504) 4.550 21.371 ( -2.521 4.396 -0.112) 5.069 21.503 ( 5.205 0.297 1.173) 5.344 21.666 ( 1.021 -0.946 -0.838) 1.625 21.786 ( -1.840 -8.446 -2.156) 8.909 21.999 ( -0.798 4.112 -1.431) 4.427 22.059 ( 2.635 2.854 -1.112) 4.041 22.235 ( -1.103 2.663 1.105) 3.087 22.337 ( -2.864 -0.602 -1.748) 3.409 22.415 ( -1.454 -1.482 0.775) 2.216 22.475 ( -3.198 2.653 1.712) 4.494 22.559 ( -2.479 -1.449 0.320) 2.889 22.647 ( -0.201 -2.073 -0.770) 2.221 22.714 ( 2.973 -1.899 0.507) 3.564 22.802 ( 3.369 -6.504 1.959) 7.582 23.015 ( -0.940 1.937 -2.939) 3.643 23.113 ( -0.798 0.655 -2.933) 3.109 23.268 ( 0.627 -3.895 2.592) 4.720 23.355 ( 0.293 -6.099 0.587) 6.134 23.524 ( -0.070 0.994 0.062) 0.998 23.578 ( -0.362 0.976 -1.527) 1.848 23.610 ( -0.038 2.331 1.345) 2.691 23.678 ( 0.122 -3.047 -0.772) 3.145 23.786 ( -1.423 0.235 1.479) 2.066 23.852 ( -1.041 -2.563 1.250) 3.036 23.906 ( 0.180 4.168 -0.168) 4.176 23.985 ( 2.494 2.539 -0.895) 3.670 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -18.474 4.389 4.891) 19.608 0.901 ( -16.777 10.534 4.986) 20.428 1.298 ( 0.355 -3.550 3.689) 5.132 1.361 ( -3.923 3.901 -6.531) 8.559 1.413 ( -27.299 5.179 3.156) 27.965 1.499 ( -1.680 -3.036 -1.398) 3.740 1.535 ( -2.922 -10.654 -0.587) 11.063 1.685 ( -1.888 1.729 -1.793) 3.125 1.726 ( -2.926 1.859 -4.697) 5.838 1.761 ( -3.073 2.885 -0.459) 4.240 1.858 ( -1.431 -1.991 2.607) 3.579 1.879 ( 5.667 0.282 -5.199) 7.696 1.931 ( 0.431 2.596 -0.973) 2.806 1.969 ( -2.676 0.272 2.277) 3.524 2.041 ( 1.365 0.879 2.398) 2.895 2.068 ( 1.375 0.390 1.915) 2.389 2.098 ( -0.223 2.658 2.185) 3.448 2.141 ( -6.779 0.152 -1.653) 6.979 2.187 ( -2.777 -0.717 -2.502) 3.806 2.228 ( -4.555 -1.161 -1.914) 5.076 2.255 ( -3.935 -1.728 3.199) 5.358 2.287 ( -1.670 1.266 0.990) 2.318 2.334 ( -3.122 0.210 -1.213) 3.356 2.402 ( -3.088 1.270 1.411) 3.625 2.453 ( -2.507 -5.498 1.136) 6.149 2.461 ( 1.391 -5.436 3.451) 6.587 2.505 ( -3.464 -0.535 -1.272) 3.729 2.565 ( -4.901 -3.588 -1.667) 6.298 2.614 ( -3.519 -1.424 0.048) 3.797 2.626 ( -1.295 -3.715 -0.382) 3.953 2.685 ( -0.493 -0.190 3.059) 3.104 2.713 ( 2.998 2.148 0.772) 3.768 2.764 ( 0.789 0.817 1.143) 1.611 2.846 ( -1.347 2.691 7.763) 8.326 2.878 ( -3.812 -1.987 1.595) 4.585 2.914 ( 0.203 2.179 2.013) 2.973 2.928 ( 0.405 4.346 -0.868) 4.450 3.004 ( -4.114 -1.900 -1.857) 4.897 3.071 ( -0.824 2.797 -2.166) 3.632 3.145 ( 0.499 3.129 4.413) 5.433 3.228 ( 4.789 2.058 -4.693) 7.013 3.264 ( 5.918 -0.750 -0.776) 6.016 3.292 ( 2.443 -0.186 0.114) 2.452 3.379 ( 6.829 0.499 -1.389) 6.987 3.452 ( 2.289 -1.127 4.081) 4.813 3.508 ( 5.391 0.309 -3.852) 6.633 3.582 ( 1.075 2.203 0.962) 2.633 3.620 ( 4.713 2.557 0.055) 5.362 3.638 ( 2.150 -1.885 1.150) 3.082 3.718 ( 0.426 -1.293 -0.776) 1.567 3.924 ( 6.464 -1.500 0.468) 6.652 3.957 ( 5.408 -1.459 -1.828) 5.892 4.091 ( 5.947 1.017 1.718) 6.273 4.198 ( 2.843 -2.479 -3.844) 5.385 4.293 ( 0.901 2.378 0.467) 2.585 4.507 ( 7.382 -4.680 -0.446) 8.752 4.566 ( -0.565 1.732 -3.416) 3.872 4.717 ( 1.828 2.580 1.201) 3.382 4.782 ( -0.409 -0.778 -1.249) 1.527 4.975 ( 3.031 -0.513 -0.441) 3.106 5.076 ( -6.298 1.266 2.452) 6.876 5.121 ( 7.293 1.172 1.565) 7.551 5.145 ( 1.150 -2.715 0.747) 3.042 5.262 ( 0.527 -1.808 0.012) 1.883 5.301 ( 1.128 0.370 1.838) 2.188 5.439 ( -3.308 -5.608 1.416) 6.663 5.518 ( -1.041 1.556 0.558) 1.953 5.625 ( 1.690 2.974 -2.669) 4.339 5.680 ( 0.978 -6.333 -1.104) 6.502 5.831 ( -3.520 -1.481 -1.915) 4.272 5.884 ( 4.917 -1.093 -0.938) 5.124 6.035 ( 2.686 -5.893 0.999) 6.552 6.066 ( 3.304 -0.546 -1.324) 3.601 6.130 ( 5.873 -0.653 3.822) 7.037 6.168 ( -0.170 2.090 -1.457) 2.554 6.215 ( -1.755 1.693 4.359) 4.994 6.389 ( 0.676 -0.785 -0.896) 1.370 6.512 ( -0.726 0.543 -2.011) 2.206 6.530 ( -3.411 4.838 -4.539) 7.460 6.686 ( -0.347 6.741 3.568) 7.635 6.878 ( -6.343 -2.567 -3.053) 7.493 7.003 ( -2.057 2.744 -2.206) 4.077 7.268 ( 4.436 0.295 -0.939) 4.544 7.444 ( -0.679 -2.574 4.170) 4.947 8.534 ( -3.636 -0.042 2.610) 4.476 8.606 ( -3.773 -2.427 3.316) 5.578 8.691 ( 0.537 0.406 0.708) 0.977 8.705 ( 1.037 0.436 0.042) 1.126 8.815 ( -0.606 0.328 1.648) 1.786 8.871 ( -1.315 -0.338 1.242) 1.840 8.911 ( 0.589 2.887 -0.214) 2.955 8.957 ( 3.427 -0.947 -0.709) 3.625 9.076 ( -1.023 -3.860 -0.907) 4.095 9.187 ( -0.847 -2.646 0.028) 2.779 9.229 ( 1.307 0.633 -3.664) 3.941 9.310 ( -3.948 -0.801 1.176) 4.197 9.337 ( -2.309 -1.064 2.614) 3.646 9.406 ( 3.284 -0.626 -7.435) 8.152 9.440 ( 3.752 2.185 -6.917) 8.167 9.580 ( 0.759 -0.791 -1.110) 1.560 9.663 ( -0.427 3.238 -0.104) 3.267 9.746 ( -0.737 -0.437 0.004) 0.857 9.851 ( 0.183 1.543 -3.647) 3.964 9.882 ( 2.341 -1.885 -0.751) 3.098 9.960 ( -1.323 -4.490 1.550) 4.931 10.012 ( 3.487 0.582 1.594) 3.878 10.067 ( 2.023 -1.946 3.206) 4.261 10.138 ( 3.169 -4.895 0.392) 5.845 10.317 ( 1.409 4.172 0.459) 4.427 10.345 ( 2.207 7.395 2.368) 8.073 10.584 ( -3.548 1.012 -1.303) 3.913 10.643 ( 0.128 -0.125 -0.545) 0.574 10.750 ( -1.274 -3.628 2.970) 4.858 10.781 ( -0.941 -2.334 4.150) 4.853 10.983 ( -2.736 3.121 0.933) 4.255 11.000 ( -1.187 4.998 2.540) 5.731 11.102 ( -1.689 -0.090 -4.607) 4.908 11.345 ( -2.350 -1.549 -1.191) 3.057 11.376 ( 0.355 0.447 -0.037) 0.572 11.599 ( 3.266 -2.396 4.027) 5.712 12.134 ( 1.199 4.928 -0.608) 5.108 12.156 ( 2.778 2.184 1.483) 3.832 12.258 ( 0.340 -0.218 4.823) 4.840 12.385 ( -4.025 -1.859 -5.516) 7.077 12.767 ( -2.293 1.959 1.383) 3.318 12.928 ( 2.667 -1.751 -1.297) 3.444 13.077 ( -1.059 -1.662 0.783) 2.120 13.126 ( -0.864 -1.259 1.615) 2.223 13.492 ( -0.252 2.332 -0.846) 2.494 13.586 ( 4.604 3.070 1.620) 5.766 13.650 ( -0.305 5.719 -2.701) 6.332 13.774 ( 4.148 0.145 2.917) 5.073 13.851 ( 0.040 1.311 1.398) 1.917 13.998 ( 3.501 -2.016 3.079) 5.079 14.064 ( 1.225 2.065 -3.503) 4.247 14.244 ( 0.942 -1.616 -7.633) 7.859 14.939 ( -0.913 0.845 0.819) 1.490 15.034 ( -0.841 -2.232 0.175) 2.392 15.126 ( 0.460 1.826 -0.576) 1.969 15.188 ( 2.637 0.597 1.252) 2.980 15.219 ( -2.587 -1.342 -1.169) 3.140 15.289 ( 1.591 0.382 -0.276) 1.659 15.324 ( 0.893 -0.672 1.453) 1.833 15.371 ( 0.626 0.246 -2.616) 2.701 19.669 ( -12.776 -0.013 -0.246) 12.778 19.712 ( -14.096 -1.815 -0.088) 14.213 19.905 ( -12.529 5.125 0.080) 13.537 20.199 ( -0.086 0.273 -1.711) 1.735 20.263 ( -0.957 -3.456 0.548) 3.628 20.305 ( -0.897 -1.415 5.057) 5.327 20.386 ( -1.593 1.290 -1.606) 2.603 20.504 ( 4.155 -0.639 3.594) 5.531 21.157 ( -1.390 -2.332 0.289) 2.731 21.305 ( -0.181 -6.357 1.317) 6.494 21.347 ( 1.081 4.953 -1.241) 5.219 21.596 ( 2.703 -0.161 2.535) 3.709 21.692 ( 3.320 -0.339 -1.531) 3.672 21.746 ( -1.069 -6.495 -0.743) 6.624 21.998 ( 2.160 6.856 -2.321) 7.553 22.088 ( 1.100 2.408 -1.015) 2.835 22.182 ( -4.800 2.128 -0.380) 5.264 22.278 ( -3.811 -0.284 0.323) 3.835 22.357 ( -4.676 0.098 -0.719) 4.732 22.451 ( -0.239 0.997 2.460) 2.665 22.503 ( -2.201 -4.698 -1.640) 5.441 22.642 ( 0.025 -4.190 -0.539) 4.225 22.773 ( 2.090 -1.162 1.582) 2.868 22.875 ( 2.901 -6.156 3.105) 7.480 22.975 ( -1.682 3.274 -2.407) 4.398 23.109 ( 1.417 1.842 -0.916) 2.498 23.249 ( -4.326 -6.632 0.074) 7.919 23.342 ( -1.218 -5.142 -1.759) 5.569 23.505 ( -1.621 1.350 -1.339) 2.499 23.553 ( -1.901 -0.097 0.774) 2.055 23.627 ( 0.837 2.071 0.724) 2.348 23.677 ( -0.270 -2.107 1.038) 2.364 23.762 ( -0.977 -0.813 -0.712) 1.457 23.838 ( -1.922 -1.387 2.736) 3.620 23.913 ( 0.910 3.259 -0.584) 3.434 24.049 ( 4.626 1.510 -0.250) 4.872 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -17.710 8.290 6.206) 20.516 0.661 ( -15.997 13.183 9.401) 22.762 0.956 ( -24.147 15.353 15.428) 32.509 1.262 ( -1.117 -1.034 -8.708) 8.840 1.301 ( -3.609 -6.702 -3.986) 8.593 1.447 ( -4.290 -10.001 -1.514) 10.987 1.483 ( -0.692 -1.328 -0.502) 1.580 1.589 ( -3.043 -2.017 -3.001) 4.726 1.666 ( -3.768 5.896 1.447) 7.145 1.741 ( 0.902 1.223 0.916) 1.774 1.831 ( -5.384 -1.211 -1.433) 5.702 1.863 ( -6.083 -1.649 3.523) 7.220 1.938 ( 2.953 -1.583 0.332) 3.367 1.961 ( 1.148 1.200 -1.398) 2.170 1.994 ( -3.719 -0.834 -0.572) 3.854 2.062 ( -1.142 -1.636 -1.671) 2.602 2.076 ( -1.069 3.958 2.984) 5.071 2.112 ( 0.125 -0.836 -2.068) 2.234 2.133 ( -4.575 -5.393 0.909) 7.130 2.183 ( -1.443 2.068 0.357) 2.547 2.217 ( 1.058 -3.178 5.722) 6.630 2.291 ( -0.830 2.706 -0.810) 2.944 2.311 ( -0.691 1.570 -2.306) 2.874 2.376 ( 0.943 2.685 2.772) 3.973 2.431 ( -0.669 -5.176 2.583) 5.823 2.448 ( -0.420 -1.438 -2.415) 2.842 2.467 ( -3.690 -1.499 4.940) 6.345 2.516 ( -0.209 -0.495 0.632) 0.829 2.579 ( -0.550 -1.717 1.229) 2.182 2.655 ( 2.696 -1.560 1.803) 3.599 2.696 ( -0.357 -0.364 0.189) 0.544 2.727 ( -0.705 5.633 -1.709) 5.928 2.757 ( -0.980 4.036 0.132) 4.155 2.841 ( -1.986 -0.660 -0.902) 2.278 2.878 ( -2.302 -1.402 -0.888) 2.838 2.889 ( -0.241 3.159 -0.578) 3.220 2.913 ( -1.349 1.453 1.185) 2.310 2.957 ( 0.113 -2.152 0.111) 2.158 3.096 ( 2.216 3.656 5.717) 7.138 3.207 ( 3.360 2.774 3.229) 5.423 3.258 ( 1.626 1.785 -3.651) 4.377 3.366 ( 5.996 -5.410 -2.825) 8.555 3.382 ( 5.969 3.453 2.169) 7.229 3.462 ( 2.702 0.484 -2.622) 3.796 3.486 ( -1.283 -0.384 3.690) 3.925 3.562 ( 2.139 -1.303 -2.388) 3.461 3.628 ( 1.912 -2.541 1.192) 3.396 3.644 ( 4.469 1.472 -0.106) 4.706 3.699 ( 0.272 -0.409 1.103) 1.208 3.755 ( 3.372 1.294 1.244) 3.819 3.978 ( -0.025 -1.303 -1.658) 2.109 3.990 ( 0.864 -1.738 -0.988) 2.178 4.142 ( 0.818 1.818 0.243) 2.008 4.248 ( 4.620 -0.956 -3.023) 5.603 4.388 ( 5.426 2.559 2.759) 6.603 4.532 ( -0.136 1.215 -3.700) 3.897 4.636 ( 6.933 -4.797 -3.379) 9.083 4.769 ( -0.224 -4.232 -1.072) 4.371 4.789 ( 5.027 2.217 2.047) 5.863 4.955 ( -5.123 -1.038 2.398) 5.750 5.058 ( 2.796 1.876 -3.336) 4.739 5.155 ( 4.320 -2.362 -1.514) 5.151 5.167 ( -5.615 -1.226 5.204) 7.753 5.330 ( 1.159 0.694 2.266) 2.638 5.357 ( 6.668 -2.593 -3.847) 8.123 5.373 ( -2.445 -3.697 4.132) 6.060 5.548 ( 3.077 2.997 0.654) 4.345 5.610 ( -2.090 -1.584 -3.054) 4.026 5.670 ( -0.493 -4.638 -2.099) 5.115 5.746 ( -2.002 0.398 -2.803) 3.467 5.931 ( -0.028 -3.681 0.329) 3.695 6.039 ( -2.748 -5.280 3.965) 7.152 6.061 ( -5.887 -0.157 -1.177) 6.006 6.137 ( 5.031 -4.779 -2.942) 7.537 6.238 ( -1.769 4.603 1.594) 5.182 6.269 ( 3.769 2.790 0.672) 4.737 6.395 ( 0.991 1.767 0.836) 2.191 6.442 ( -0.463 1.024 -0.376) 1.185 6.541 ( 0.686 2.593 0.732) 2.780 6.700 ( -2.377 7.526 4.213) 8.947 6.774 ( 1.134 -1.915 -4.448) 4.974 7.011 ( 3.717 2.619 -3.623) 5.813 7.321 ( 0.570 -2.495 0.432) 2.596 7.420 ( -4.018 -2.323 2.480) 5.262 8.490 ( -2.596 0.238 2.568) 3.659 8.561 ( -3.715 -1.710 3.901) 5.652 8.702 ( 0.676 -0.224 -0.608) 0.937 8.724 ( 0.826 0.089 -0.156) 0.846 8.804 ( -2.570 -2.994 0.833) 4.033 8.853 ( -1.550 -1.243 0.395) 2.026 8.934 ( 2.696 2.040 -2.249) 4.060 9.011 ( -1.344 -1.086 -1.375) 2.208 9.048 ( 1.367 2.115 -0.794) 2.641 9.137 ( -3.094 0.573 1.832) 3.641 9.208 ( 0.042 0.728 -4.297) 4.358 9.264 ( -2.448 -1.718 2.189) 3.707 9.351 ( 0.370 -2.201 5.240) 5.696 9.419 ( 1.662 -0.316 -1.028) 1.979 9.482 ( 5.503 3.401 -5.964) 8.799 9.572 ( 1.029 -0.735 -1.504) 1.965 9.705 ( 3.193 1.480 1.933) 4.015 9.734 ( -0.982 -1.933 0.727) 2.287 9.831 ( 0.588 0.678 -3.277) 3.398 9.895 ( -0.435 -2.468 -0.101) 2.508 10.002 ( 4.940 0.343 -0.655) 4.995 10.072 ( 2.621 -0.363 -1.550) 3.066 10.125 ( 2.692 -1.877 2.341) 4.031 10.179 ( 1.056 -3.996 0.300) 4.144 10.338 ( 1.037 3.848 -0.486) 4.015 10.389 ( -1.361 3.089 0.585) 3.426 10.541 ( 2.415 4.289 -2.040) 5.328 10.612 ( -3.494 0.753 -0.286) 3.586 10.725 ( -3.106 -0.983 -0.091) 3.259 10.752 ( -4.112 -1.486 1.055) 4.498 10.956 ( -1.134 1.226 0.266) 1.692 10.982 ( -3.704 1.389 1.064) 4.097 11.113 ( 5.964 0.243 -0.016) 5.969 11.275 ( -0.374 -5.047 -0.550) 5.090 11.429 ( 1.453 3.157 0.227) 3.483 11.635 ( -0.738 -2.438 0.819) 2.675 12.144 ( 1.800 3.692 -2.634) 4.879 12.215 ( 1.324 4.423 -1.811) 4.960 12.277 ( -0.099 -0.162 4.319) 4.323 12.307 ( -1.481 -0.140 -1.699) 2.258 12.737 ( -2.479 1.607 3.482) 4.566 12.951 ( -1.590 -5.104 -0.793) 5.404 13.038 ( -2.469 -0.477 -0.979) 2.698 13.098 ( -1.620 -0.846 -0.541) 1.906 13.487 ( 0.157 2.448 -0.482) 2.500 13.604 ( -0.006 1.318 -1.881) 2.297 13.712 ( 5.379 7.007 -8.595) 12.325 13.831 ( 0.626 -0.388 -0.149) 0.752 13.930 ( 6.096 5.631 7.737) 11.346 14.063 ( 2.505 2.837 -3.421) 5.102 14.102 ( 5.521 -2.013 8.488) 10.324 14.247 ( 3.938 -0.502 -3.706) 5.431 14.915 ( -2.249 0.322 1.304) 2.619 14.960 ( -5.603 -1.202 -2.885) 6.416 15.116 ( -0.618 1.817 -1.036) 2.181 15.194 ( -0.250 -1.726 0.083) 1.746 15.235 ( 2.239 0.177 0.659) 2.341 15.292 ( -1.164 -0.662 -1.732) 2.189 15.327 ( 1.890 2.042 -2.270) 3.591 15.408 ( 0.994 -0.268 1.791) 2.066 19.468 ( -8.467 -0.295 -0.505) 8.487 19.483 ( -10.382 -0.684 0.347) 10.410 19.675 ( -11.417 4.280 -0.553) 12.205 20.082 ( -14.707 -6.715 -11.523) 19.854 20.228 ( -1.654 0.679 1.538) 2.359 20.332 ( 0.638 -1.955 4.623) 5.060 20.367 ( 0.310 2.226 -1.715) 2.827 20.659 ( 7.482 -12.968 13.762) 20.336 21.143 ( -0.173 -1.536 0.679) 1.689 21.259 ( -5.093 -5.747 3.253) 8.340 21.371 ( 1.919 4.847 -2.360) 5.722 21.631 ( 0.405 0.531 3.862) 3.919 21.741 ( 0.432 -4.474 0.899) 4.583 21.750 ( 1.930 -1.261 0.161) 2.312 22.039 ( 3.911 8.468 -2.062) 9.552 22.065 ( -2.341 0.056 -1.803) 2.955 22.140 ( 1.638 5.849 0.122) 6.075 22.176 ( -8.267 -3.360 1.698) 9.084 22.290 ( -0.961 0.442 -1.731) 2.028 22.468 ( -1.096 -3.002 -2.391) 3.992 22.489 ( 2.059 -0.767 2.721) 3.497 22.642 ( 0.663 -1.371 -1.603) 2.211 22.788 ( -2.152 -1.636 1.954) 3.335 22.904 ( -0.320 -4.136 -3.644) 5.521 22.977 ( 1.312 -1.959 5.317) 5.817 23.078 ( -9.174 -5.243 -1.886) 10.734 23.151 ( -0.872 -0.751 -0.262) 1.180 23.299 ( -1.545 -1.250 -2.655) 3.316 23.467 ( -1.420 0.850 -0.824) 1.848 23.516 ( -2.107 -0.109 -0.543) 2.179 23.647 ( 0.323 0.001 2.830) 2.849 23.701 ( 1.644 -1.730 2.951) 3.796 23.743 ( -0.875 -1.054 -0.539) 1.472 23.821 ( -2.255 -0.882 3.650) 4.380 23.927 ( 1.001 2.886 -1.015) 3.219 24.121 ( 3.590 -0.739 -1.932) 4.143 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -0.239 13.107 2.896) 13.425 0.788 ( -2.257 14.926 5.172) 15.957 0.948 ( -1.755 -11.350 -3.284) 11.945 1.102 ( 0.877 -14.371 2.335) 14.586 1.236 ( -3.052 13.986 3.378) 14.708 1.353 ( -0.081 -0.910 -3.575) 3.689 1.383 ( 2.128 5.931 2.391) 6.740 1.611 ( 0.909 -5.473 1.346) 5.709 1.621 ( -1.388 0.962 -4.147) 4.478 1.703 ( -0.211 -1.114 -1.517) 1.893 1.758 ( 0.488 -1.783 2.134) 2.823 1.816 ( 1.059 -7.838 0.749) 7.944 1.882 ( 0.036 4.378 3.410) 5.550 1.954 ( 0.791 -2.544 2.382) 3.574 2.002 ( -0.944 2.919 4.383) 5.350 2.065 ( 0.605 -1.505 1.639) 2.307 2.099 ( 0.410 -0.900 0.423) 1.075 2.106 ( 1.366 1.779 0.510) 2.300 2.132 ( 2.182 -0.551 0.465) 2.298 2.143 ( 0.546 -2.967 2.938) 4.211 2.214 ( -1.286 1.465 -1.085) 2.231 2.248 ( -1.958 -1.542 -1.930) 3.152 2.320 ( -1.441 3.589 -0.743) 3.938 2.372 ( -1.160 -3.129 2.192) 3.993 2.430 ( 2.422 0.341 2.120) 3.237 2.458 ( 3.368 -1.336 0.909) 3.735 2.515 ( -2.386 4.647 0.926) 5.305 2.537 ( -1.508 2.098 5.226) 5.830 2.576 ( 0.448 -0.688 4.787) 4.857 2.625 ( 0.073 -5.472 1.692) 5.728 2.704 ( -2.039 1.953 0.642) 2.895 2.741 ( -2.166 -1.817 -1.310) 3.116 2.781 ( -4.355 3.737 -2.818) 6.393 2.791 ( 0.130 1.890 0.661) 2.007 2.827 ( -0.553 -0.359 -1.793) 1.910 2.871 ( -0.328 -2.315 -1.477) 2.766 3.004 ( -0.311 4.227 1.300) 4.434 3.048 ( 4.869 8.693 -4.123) 10.783 3.108 ( -2.181 -3.173 -4.207) 5.703 3.226 ( 4.175 -5.594 -5.938) 9.164 3.310 ( -1.353 -0.012 5.613) 5.774 3.328 ( 0.923 -1.868 1.109) 2.361 3.444 ( -5.396 3.452 0.177) 6.408 3.489 ( 0.159 1.577 0.366) 1.627 3.511 ( -2.218 -2.064 0.258) 3.040 3.525 ( 2.797 -1.183 1.146) 3.245 3.622 ( -1.661 -0.789 0.570) 1.925 3.642 ( 1.187 -2.262 -0.929) 2.718 3.806 ( -1.831 2.592 2.332) 3.938 3.825 ( 2.073 1.502 1.836) 3.150 3.945 ( -0.064 -0.551 -2.185) 2.254 3.950 ( 1.282 -0.528 -2.860) 3.179 4.198 ( 1.574 2.474 0.348) 2.952 4.264 ( 2.839 -3.783 -0.453) 4.751 4.503 ( -2.450 5.061 -3.278) 6.509 4.534 ( -1.950 1.942 -4.037) 4.886 4.599 ( 1.444 -2.850 -1.148) 3.395 4.620 ( -1.144 -5.569 -2.378) 6.162 4.882 ( -3.062 2.677 0.919) 4.170 4.914 ( -1.182 -0.201 0.943) 1.525 5.096 ( -1.308 1.196 0.921) 1.998 5.115 ( 6.533 -1.395 -0.004) 6.680 5.227 ( -1.687 -1.885 2.703) 3.702 5.263 ( 0.961 -3.876 0.759) 4.065 5.302 ( 0.251 1.806 0.069) 1.824 5.373 ( 3.026 -5.448 -2.285) 6.638 5.553 ( 1.329 1.691 -3.369) 3.997 5.593 ( 0.423 -2.884 -2.437) 3.799 5.689 ( 1.653 5.533 -0.183) 5.778 5.742 ( -1.650 1.986 -1.331) 2.904 5.832 ( -2.247 -4.146 1.982) 5.115 5.876 ( -3.835 -7.182 3.082) 8.706 6.029 ( 1.216 2.270 -2.644) 3.691 6.082 ( 1.752 -3.697 -3.350) 5.288 6.267 ( -2.725 3.503 0.358) 4.453 6.322 ( -1.512 -2.163 -0.396) 2.668 6.435 ( 0.936 5.433 3.288) 6.419 6.516 ( 2.881 -2.366 4.010) 5.476 6.612 ( -1.603 6.320 -1.217) 6.633 6.709 ( 0.422 -3.962 -1.868) 4.400 6.886 ( 0.673 7.640 2.778) 8.158 7.017 ( 1.067 -5.798 0.410) 5.910 7.297 ( -1.597 4.866 0.215) 5.126 7.371 ( -0.213 -2.775 -0.812) 2.900 8.497 ( 0.080 0.480 3.757) 3.788 8.513 ( -1.352 -1.149 4.195) 4.555 8.702 ( -0.173 0.050 -0.699) 0.722 8.711 ( -0.450 -0.753 -0.286) 0.923 8.755 ( -0.233 1.938 -1.421) 2.414 8.793 ( -0.425 -2.043 -1.245) 2.430 8.949 ( -2.744 2.619 -4.811) 6.127 8.981 ( 0.857 -0.516 -4.245) 4.361 9.138 ( 0.568 2.189 4.705) 5.220 9.154 ( 0.191 -0.131 4.883) 4.888 9.184 ( -2.987 -2.011 2.425) 4.341 9.200 ( 0.151 -1.732 0.511) 1.812 9.395 ( 1.410 2.870 1.454) 3.513 9.446 ( 4.408 -2.387 1.596) 5.261 9.582 ( 2.321 0.110 -4.184) 4.786 9.589 ( 2.390 0.633 -4.735) 5.342 9.696 ( -0.203 0.605 3.182) 3.245 9.730 ( 0.232 -1.962 2.801) 3.428 9.861 ( 1.663 1.275 -0.664) 2.198 9.883 ( 1.951 -0.722 -2.098) 2.954 10.036 ( -2.505 -0.154 -2.258) 3.375 10.041 ( -2.547 -0.812 -3.018) 4.031 10.174 ( 2.111 -0.208 2.659) 3.401 10.188 ( 4.262 -1.755 3.306) 5.673 10.353 ( -1.926 3.086 -0.029) 3.637 10.381 ( -1.578 0.075 -0.484) 1.652 10.555 ( -4.020 1.173 -2.563) 4.910 10.578 ( -4.107 -1.278 -3.913) 5.814 10.647 ( -2.198 1.222 -4.131) 4.836 10.667 ( 0.161 -0.993 -2.675) 2.858 10.951 ( -0.595 0.986 -1.375) 1.794 10.960 ( 0.436 0.133 -1.204) 1.287 11.236 ( 3.725 0.002 4.926) 6.176 11.250 ( 3.199 -1.565 3.325) 4.872 11.473 ( -2.077 3.244 -2.306) 4.490 11.535 ( -2.632 -3.424 -2.663) 5.073 12.205 ( -1.318 1.576 -2.091) 2.931 12.209 ( 0.051 1.086 -2.042) 2.313 12.296 ( -1.240 1.228 0.059) 1.746 12.319 ( 0.822 -0.895 0.384) 1.275 12.784 ( 0.462 2.927 4.391) 5.297 12.842 ( 0.072 -3.197 3.706) 4.895 13.051 ( 0.328 0.913 -0.653) 1.170 13.066 ( -0.231 -0.709 -0.885) 1.157 13.550 ( 0.942 3.419 -0.106) 3.548 13.603 ( 1.098 -1.943 0.203) 2.241 13.723 ( -2.689 2.780 -8.589) 9.419 13.767 ( -2.827 -2.094 -5.126) 6.217 14.046 ( -1.371 2.457 3.969) 4.865 14.082 ( -0.958 -1.035 2.485) 2.857 14.289 ( 3.510 0.693 -0.820) 3.670 14.308 ( 3.440 -0.936 -0.649) 3.624 14.916 ( 2.120 0.776 3.025) 3.774 14.936 ( 3.920 -1.449 3.483) 5.441 15.121 ( -0.570 1.189 -2.360) 2.704 15.148 ( -0.897 -1.784 -1.778) 2.674 15.270 ( -1.030 0.921 0.222) 1.400 15.286 ( 0.429 -0.724 0.969) 1.283 15.355 ( -0.565 1.938 -1.836) 2.729 15.385 ( -0.981 -1.308 -0.988) 1.910 19.385 ( -0.976 0.428 0.174) 1.079 19.394 ( -0.215 -0.545 -0.004) 0.586 19.626 ( -0.054 2.580 -2.362) 3.498 19.663 ( -5.340 -1.276 -3.030) 6.271 20.253 ( -0.834 2.296 2.431) 3.446 20.306 ( -0.849 -3.430 4.377) 5.626 20.460 ( 2.303 5.794 0.119) 6.236 20.585 ( 3.004 -8.090 2.882) 9.099 21.176 ( -0.745 0.406 4.616) 4.693 21.202 ( 1.460 -2.766 7.375) 8.011 21.492 ( 0.237 6.726 -2.985) 7.362 21.610 ( -0.336 -5.493 -2.731) 6.144 21.699 ( -1.600 0.031 3.619) 3.957 21.724 ( -1.179 -2.082 3.433) 4.185 22.013 ( -0.078 0.496 -2.170) 2.227 22.037 ( 1.768 -1.810 -2.180) 3.340 22.197 ( 0.654 4.210 3.261) 5.365 22.266 ( 0.430 -3.119 2.037) 3.750 22.358 ( 2.940 7.291 -1.634) 8.029 22.446 ( 1.631 2.116 -2.594) 3.724 22.509 ( -1.135 -1.924 4.375) 4.912 22.612 ( 1.550 -6.112 0.977) 6.380 22.691 ( -4.894 -0.597 -3.106) 5.827 22.706 ( -5.156 -0.740 -2.284) 5.687 22.985 ( 1.904 0.739 2.623) 3.325 23.013 ( 2.756 -2.336 4.154) 5.506 23.187 ( -0.395 2.867 -1.254) 3.154 23.241 ( -0.077 -2.648 -2.128) 3.398 23.464 ( -0.076 0.906 -0.356) 0.976 23.481 ( -0.418 -0.802 -0.558) 1.063 23.659 ( 0.320 1.195 0.398) 1.300 23.686 ( 1.230 -1.478 -0.652) 2.031 23.784 ( -0.476 1.031 3.434) 3.616 23.803 ( -1.233 -0.822 4.420) 4.662 23.994 ( 0.109 4.390 -2.339) 4.976 24.074 ( -0.136 -3.965 -3.031) 4.993 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 6.312 9.029 -0.960) 11.058 0.885 ( 7.621 -5.434 -6.466) 11.376 0.987 ( 9.312 12.910 6.980) 17.381 1.239 ( 10.828 -8.802 3.725) 14.442 1.261 ( 4.418 0.313 0.485) 4.455 1.356 ( 4.116 -6.185 -1.852) 7.657 1.545 ( 7.967 7.274 8.872) 13.968 1.601 ( 3.834 -0.521 -6.328) 7.417 1.646 ( 5.944 2.882 -2.923) 7.223 1.762 ( 3.927 1.626 0.766) 4.318 1.805 ( 2.170 -2.671 -0.341) 3.458 1.846 ( 1.812 -5.521 2.478) 6.316 1.940 ( 2.374 4.330 4.864) 6.932 1.999 ( 2.518 -1.803 2.459) 3.955 2.032 ( 2.293 -0.544 -0.117) 2.359 2.051 ( -1.411 1.856 0.932) 2.511 2.086 ( -0.872 -3.921 0.843) 4.105 2.111 ( 0.079 -1.726 0.526) 1.806 2.165 ( 0.805 1.685 0.183) 1.877 2.192 ( -0.343 -0.323 -1.539) 1.609 2.241 ( 4.323 0.419 4.907) 6.553 2.259 ( 2.575 -0.889 3.186) 4.192 2.315 ( 1.534 3.125 1.651) 3.853 2.370 ( -1.469 -1.358 3.882) 4.367 2.426 ( -3.554 0.641 2.018) 4.137 2.471 ( -1.566 -0.271 -0.317) 1.621 2.502 ( 0.201 2.426 1.356) 2.786 2.534 ( 0.871 -0.197 1.255) 1.540 2.616 ( -1.743 -1.567 -0.558) 2.409 2.641 ( 1.661 -0.743 1.816) 2.571 2.668 ( -1.223 1.783 -5.597) 6.001 2.692 ( 0.033 2.125 0.943) 2.325 2.737 ( -1.215 -1.589 0.684) 2.114 2.755 ( -0.183 -1.654 -0.749) 1.825 2.817 ( -0.312 1.587 -1.705) 2.350 2.850 ( -2.268 -1.203 0.165) 2.572 3.018 ( -2.513 -0.841 2.658) 3.753 3.055 ( 0.530 -4.265 -0.234) 4.305 3.099 ( 3.689 10.128 -4.836) 11.814 3.235 ( -1.028 -2.767 -5.559) 6.294 3.306 ( -2.668 1.662 2.871) 4.257 3.322 ( -4.130 2.595 -0.918) 4.963 3.341 ( -2.520 -2.382 1.621) 3.828 3.389 ( -5.862 -3.414 0.328) 6.792 3.505 ( -3.478 0.929 1.215) 3.800 3.523 ( -4.680 -1.642 2.272) 5.455 3.592 ( -0.067 2.981 -0.859) 3.103 3.667 ( 1.741 -4.312 -0.086) 4.651 3.750 ( -3.960 2.320 -0.420) 4.608 3.795 ( -5.354 -2.245 0.600) 5.836 3.932 ( -1.579 1.571 -3.226) 3.920 3.946 ( -0.222 0.691 -1.712) 1.860 4.250 ( 3.058 3.642 2.923) 5.582 4.323 ( 0.996 -2.641 3.064) 4.166 4.370 ( -8.250 2.884 -2.898) 9.208 4.417 ( -4.268 -3.227 -4.993) 7.318 4.631 ( 3.033 0.864 -1.139) 3.353 4.661 ( 4.228 -2.113 -0.377) 4.742 4.814 ( -2.792 2.801 -2.218) 4.535 4.861 ( -3.637 -2.004 0.004) 4.153 5.029 ( -5.581 4.059 -2.794) 7.446 5.109 ( -7.169 -4.179 -2.815) 8.762 5.219 ( -0.328 0.053 1.900) 1.929 5.280 ( 2.310 -5.034 2.973) 6.286 5.403 ( 1.850 0.638 3.029) 3.607 5.420 ( 2.580 -1.011 1.154) 3.001 5.551 ( 0.136 0.151 -1.499) 1.513 5.580 ( 0.431 -3.043 -3.191) 4.430 5.703 ( 0.340 4.642 -2.065) 5.092 5.744 ( 4.065 3.606 1.097) 5.543 5.807 ( -0.187 -6.073 0.586) 6.104 5.845 ( 0.135 -5.783 0.512) 5.807 6.030 ( -0.130 2.357 -2.979) 3.801 6.092 ( 0.157 -4.469 -1.144) 4.616 6.214 ( -3.689 2.757 -0.709) 4.659 6.267 ( -5.054 -2.922 -1.217) 5.963 6.481 ( 0.880 7.296 3.387) 8.092 6.572 ( 0.428 7.445 -1.783) 7.667 6.584 ( 0.736 -3.428 3.856) 5.211 6.696 ( 1.381 -5.364 -2.278) 5.989 6.914 ( 0.260 7.808 3.355) 8.502 7.038 ( 0.918 -5.405 0.826) 5.544 7.281 ( 0.040 5.653 -0.788) 5.708 7.363 ( -0.275 -3.267 -0.420) 3.305 8.535 ( 0.725 0.799 4.025) 4.167 8.549 ( 2.434 -0.844 4.257) 4.976 8.695 ( 0.161 0.401 -0.807) 0.916 8.707 ( 0.031 -0.692 0.050) 0.695 8.754 ( 0.548 2.064 -1.791) 2.787 8.787 ( 0.077 -1.405 -1.121) 1.799 8.888 ( 0.166 2.968 -3.313) 4.451 8.952 ( -0.228 -3.353 -4.253) 5.420 9.108 ( -4.534 1.117 3.571) 5.879 9.145 ( -3.192 -2.849 2.993) 5.222 9.227 ( 3.537 1.602 4.091) 5.641 9.263 ( 3.567 -2.057 3.974) 5.723 9.400 ( -0.600 5.199 -0.405) 5.249 9.501 ( 0.604 -5.271 -0.136) 5.307 9.589 ( 1.812 0.649 -5.927) 6.232 9.594 ( 0.961 0.604 -5.450) 5.567 9.717 ( 0.334 0.533 2.938) 3.005 9.741 ( -0.550 -1.599 2.561) 3.069 9.880 ( 0.358 2.406 0.167) 2.438 9.918 ( 2.381 -1.602 -2.120) 3.567 9.968 ( -2.175 -0.099 -1.629) 2.719 9.975 ( -2.295 -0.929 -0.331) 2.498 10.174 ( -5.939 1.510 5.750) 8.403 10.195 ( -4.908 -0.714 4.477) 6.682 10.318 ( -3.594 1.372 -4.540) 5.950 10.324 ( -3.330 0.700 -4.441) 5.595 10.509 ( 2.117 -0.353 -3.170) 3.828 10.514 ( 1.411 -0.931 -3.432) 3.826 10.631 ( 3.221 2.768 0.184) 4.251 10.678 ( 3.029 -2.099 -0.634) 3.740 10.954 ( 1.448 1.612 -0.880) 2.339 10.978 ( 1.997 -0.696 -0.989) 2.334 11.295 ( -0.033 1.871 5.409) 5.723 11.342 ( 2.710 -2.854 6.173) 7.321 11.406 ( -2.691 2.840 -3.972) 5.575 11.457 ( -3.197 -2.729 -5.042) 6.564 12.148 ( -3.018 2.932 -1.640) 4.516 12.189 ( -2.186 -1.448 -0.680) 2.709 12.286 ( 1.157 5.152 -0.591) 5.313 12.364 ( 3.690 -3.250 0.462) 4.939 12.831 ( 0.923 2.565 3.778) 4.659 12.882 ( 0.938 -2.946 2.773) 4.153 13.052 ( 0.158 0.549 -0.302) 0.647 13.060 ( 0.600 -0.345 -1.309) 1.481 13.572 ( 1.241 3.747 0.475) 3.976 13.613 ( -3.207 4.229 -5.412) 7.581 13.634 ( 1.462 -2.776 0.501) 3.177 13.676 ( -3.224 -2.831 -4.853) 6.478 14.016 ( -4.285 2.718 3.288) 6.047 14.061 ( -3.619 -2.018 2.234) 4.708 14.274 ( -2.214 3.679 -0.780) 4.364 14.336 ( 0.574 -2.922 -0.155) 2.982 14.989 ( 1.367 1.668 3.518) 4.127 15.026 ( 1.309 -2.244 2.407) 3.542 15.101 ( 0.480 1.057 -3.471) 3.660 15.125 ( 0.965 -1.518 -3.608) 4.032 15.243 ( -2.326 0.960 0.994) 2.706 15.259 ( -2.951 -0.809 0.852) 3.176 15.351 ( -0.494 1.049 -1.638) 2.006 15.373 ( 2.325 -1.621 -0.491) 2.876 19.453 ( 9.598 0.543 -0.218) 9.615 19.468 ( 9.145 -1.003 0.105) 9.201 19.728 ( 11.682 1.357 -1.751) 11.890 19.739 ( 11.935 0.271 -2.626) 12.224 20.252 ( -1.293 2.533 2.773) 3.973 20.313 ( -1.657 -3.938 4.371) 6.112 20.489 ( 1.206 6.637 -1.030) 6.823 20.614 ( -0.390 -6.157 -0.625) 6.201 21.183 ( -1.859 2.696 4.894) 5.889 21.267 ( -0.538 -6.425 6.916) 9.455 21.460 ( -1.018 6.050 -3.402) 7.015 21.573 ( -0.373 -6.127 -4.471) 7.594 21.670 ( -3.998 1.171 3.290) 5.309 21.716 ( -2.245 -3.691 3.255) 5.409 22.068 ( 6.657 1.297 -1.971) 7.063 22.097 ( 4.495 -1.623 -1.204) 4.929 22.234 ( 0.771 3.862 2.684) 4.766 22.294 ( 1.626 -2.495 1.117) 3.180 22.369 ( -0.156 4.755 -0.283) 4.765 22.420 ( -4.114 7.934 0.998) 8.993 22.488 ( -0.064 -7.180 -0.285) 7.186 22.578 ( -3.460 -6.586 0.475) 7.455 22.658 ( 2.100 2.633 -1.011) 3.516 22.701 ( 2.434 -2.365 -0.584) 3.444 23.058 ( 3.933 1.206 2.490) 4.809 23.098 ( 3.962 -2.749 1.765) 5.135 23.162 ( -1.307 2.447 -1.050) 2.966 23.220 ( -0.583 -3.113 -2.643) 4.125 23.477 ( 1.455 0.634 -0.365) 1.629 23.488 ( 1.986 -0.368 -0.845) 2.189 23.664 ( 0.082 1.967 -0.618) 2.063 23.700 ( 0.926 -1.779 -0.818) 2.166 23.782 ( -2.073 1.523 3.326) 4.204 23.820 ( -0.923 -2.285 4.953) 5.533 23.978 ( -0.058 3.910 -2.092) 4.435 24.041 ( -1.021 -2.647 -2.926) 4.076 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 11.656 6.879 -3.751) 14.045 1.000 ( 8.674 -2.981 -0.127) 9.173 1.249 ( 12.237 7.931 7.932) 16.600 1.360 ( 5.621 1.582 1.544) 6.040 1.447 ( 6.182 -4.151 1.409) 7.579 1.478 ( 11.091 -10.533 3.673) 15.730 1.662 ( 6.206 1.453 -4.963) 8.078 1.678 ( 7.349 -1.066 -5.566) 9.280 1.757 ( 1.200 1.135 -2.402) 2.916 1.771 ( -3.917 0.321 0.897) 4.031 1.829 ( 2.545 4.679 0.538) 5.353 1.887 ( 0.954 1.472 0.252) 1.772 1.947 ( -4.369 0.088 -1.252) 4.546 1.992 ( -1.466 -5.243 0.625) 5.480 2.068 ( 4.873 2.417 -0.412) 5.455 2.102 ( 2.982 -0.119 2.756) 4.063 2.129 ( 3.053 1.681 -0.771) 3.569 2.167 ( 5.967 -0.107 1.715) 6.210 2.200 ( 2.928 1.626 2.769) 4.346 2.242 ( 4.220 0.615 3.121) 5.285 2.293 ( 1.698 1.546 0.211) 2.306 2.330 ( 1.424 0.432 1.771) 2.313 2.341 ( 1.742 -2.275 4.407) 5.257 2.394 ( -1.795 -5.349 -0.607) 5.675 2.433 ( 3.162 0.798 4.000) 5.161 2.443 ( 1.198 0.433 -0.480) 1.361 2.492 ( -2.085 3.792 -2.477) 4.987 2.515 ( -1.464 3.180 0.538) 3.542 2.582 ( -3.347 -4.838 -5.739) 8.218 2.614 ( -0.512 -6.525 4.967) 8.216 2.689 ( 2.736 2.851 3.764) 5.457 2.703 ( -0.204 2.217 -2.570) 3.400 2.762 ( -0.243 0.106 -4.122) 4.130 2.799 ( 5.298 2.332 2.779) 6.421 2.817 ( 1.713 -3.976 2.397) 4.948 2.858 ( 6.060 -2.678 2.699) 7.154 2.966 ( -4.554 3.002 1.792) 5.741 3.058 ( -2.025 -5.582 1.890) 6.232 3.095 ( -0.235 5.490 -4.294) 6.974 3.151 ( -4.440 -0.714 -1.558) 4.759 3.228 ( -2.797 3.584 -3.250) 5.588 3.260 ( -3.153 -0.042 -0.655) 3.221 3.305 ( -1.563 1.100 0.992) 2.153 3.370 ( -3.233 -0.093 4.125) 5.242 3.414 ( -4.839 -1.156 0.480) 4.998 3.446 ( -3.719 -4.251 1.791) 5.925 3.590 ( -1.472 4.136 0.289) 4.399 3.662 ( -3.508 -2.975 0.521) 4.629 3.687 ( -2.019 0.599 -2.074) 2.956 3.710 ( -1.880 -1.978 -2.090) 3.437 3.856 ( -4.640 2.712 -2.247) 5.825 3.889 ( -4.268 -0.231 -2.873) 5.150 4.187 ( -9.568 2.593 0.434) 9.923 4.226 ( -7.365 -1.662 -1.151) 7.638 4.358 ( 4.639 4.835 1.453) 6.857 4.450 ( 3.939 -4.625 0.463) 6.093 4.620 ( -3.367 3.433 -0.650) 4.853 4.689 ( -3.781 -3.589 1.037) 5.315 4.813 ( 5.128 1.396 -2.276) 5.781 4.847 ( 2.538 -2.342 -0.142) 3.456 4.933 ( -1.287 2.707 -3.958) 4.965 4.986 ( -2.546 -2.654 -2.773) 4.606 5.210 ( -1.631 1.011 0.601) 2.011 5.260 ( -6.995 -1.730 1.305) 7.323 5.383 ( -2.922 0.221 5.476) 6.211 5.431 ( -4.939 -3.909 5.266) 8.210 5.539 ( 1.074 1.698 -2.752) 3.408 5.588 ( 2.446 -3.344 -2.073) 4.633 5.725 ( 2.050 6.206 -0.751) 6.579 5.829 ( 2.800 1.943 -1.358) 3.669 5.841 ( 2.170 -6.031 1.084) 6.500 5.884 ( 4.176 -3.238 -2.735) 5.950 5.989 ( -2.162 1.020 -2.392) 3.382 6.044 ( -5.201 -3.780 1.232) 6.547 6.139 ( -3.969 0.884 0.949) 4.176 6.166 ( -3.522 -1.772 -0.698) 4.004 6.491 ( 0.293 6.416 1.080) 6.513 6.591 ( 1.475 0.508 -0.941) 1.821 6.612 ( 1.430 2.054 -0.709) 2.602 6.729 ( 3.192 -5.521 -4.312) 7.699 6.945 ( 0.293 8.620 4.984) 9.961 7.070 ( 1.755 -4.558 2.474) 5.475 7.283 ( 1.161 4.591 -2.550) 5.378 7.354 ( -0.783 -3.220 0.169) 3.319 8.569 ( -0.153 2.284 3.540) 4.216 8.609 ( 0.510 -2.005 4.032) 4.532 8.694 ( -0.320 1.025 0.339) 1.126 8.708 ( -0.198 -0.475 0.343) 0.618 8.759 ( 1.859 1.801 -0.677) 2.675 8.794 ( 2.215 -1.948 -0.947) 3.098 8.908 ( 3.082 0.578 -2.406) 3.952 8.944 ( 1.796 -2.632 -2.273) 3.914 9.057 ( -3.460 2.296 2.800) 5.009 9.112 ( -2.695 -3.360 2.267) 4.867 9.311 ( 3.425 0.957 2.039) 4.100 9.339 ( 1.896 -1.839 2.466) 3.614 9.390 ( 0.534 4.596 -0.420) 4.646 9.481 ( -1.651 -4.184 -3.533) 5.720 9.521 ( -3.220 0.992 -6.473) 7.298 9.539 ( -2.771 -0.713 -7.094) 7.650 9.760 ( 1.766 -0.577 2.765) 3.331 9.764 ( 2.097 -0.594 0.692) 2.287 9.871 ( -1.739 1.235 0.613) 2.219 9.891 ( -2.950 -1.419 -0.754) 3.359 9.947 ( 0.103 1.393 -2.113) 2.533 9.971 ( 1.252 -1.260 -2.620) 3.165 10.101 ( -7.314 2.020 5.774) 9.535 10.138 ( -4.371 -1.011 8.271) 9.409 10.207 ( -3.949 1.906 -4.640) 6.384 10.251 ( 0.151 -1.864 -2.383) 3.029 10.543 ( 3.219 0.232 -2.288) 3.956 10.554 ( 3.286 -0.972 -1.701) 3.826 10.718 ( 4.209 3.483 3.018) 6.242 10.772 ( 4.562 -2.751 3.266) 6.249 10.988 ( 3.815 1.487 -0.550) 4.132 11.010 ( 2.500 -0.460 -0.865) 2.686 11.290 ( -2.322 3.315 -1.512) 4.321 11.330 ( -3.706 -0.660 -3.448) 5.104 11.371 ( -1.591 1.987 0.078) 2.547 11.439 ( 1.898 -4.513 5.069) 7.047 12.089 ( -2.652 2.827 -0.292) 3.887 12.138 ( -3.071 -2.285 0.577) 3.871 12.314 ( 1.900 7.360 -0.865) 7.650 12.429 ( 3.091 -5.063 -0.418) 5.947 12.850 ( -0.942 2.250 2.531) 3.515 12.894 ( -1.080 -2.470 1.806) 3.245 13.056 ( 0.720 1.295 -0.241) 1.501 13.075 ( 1.550 -0.790 -0.441) 1.795 13.540 ( -1.338 3.345 -3.159) 4.791 13.580 ( -0.538 0.833 -2.419) 2.615 13.624 ( -0.276 0.545 0.708) 0.935 13.674 ( 1.342 -2.891 2.730) 4.197 13.954 ( -4.070 1.703 1.018) 4.528 13.986 ( -5.268 -1.746 0.178) 5.553 14.235 ( -1.611 5.433 -1.364) 5.829 14.328 ( -0.983 -4.473 -1.483) 4.813 15.000 ( -1.559 1.485 2.931) 3.637 15.029 ( -1.612 -1.637 2.591) 3.462 15.086 ( 0.402 0.988 -3.278) 3.447 15.103 ( -0.517 -0.822 -4.223) 4.333 15.206 ( -2.576 0.775 1.051) 2.888 15.222 ( -1.901 -0.960 0.584) 2.208 15.358 ( 2.383 3.193 -0.514) 4.017 15.419 ( 1.984 -3.371 -0.184) 3.916 19.679 ( 14.272 -0.050 -0.267) 14.275 19.683 ( 13.683 -0.433 -0.109) 13.691 19.943 ( 11.923 0.873 -0.800) 11.981 19.946 ( 12.002 0.552 -1.345) 12.089 20.244 ( -1.655 2.579 3.038) 4.314 20.308 ( -1.777 -4.260 3.996) 6.105 20.492 ( 0.602 5.590 -2.484) 6.147 20.578 ( -2.188 -3.081 -2.130) 4.338 21.177 ( -1.580 2.784 3.299) 4.597 21.262 ( -3.493 -6.096 3.604) 7.896 21.435 ( 0.956 6.262 -2.648) 6.865 21.553 ( 0.513 -5.651 -3.082) 6.458 21.614 ( -3.912 2.190 2.099) 4.951 21.693 ( -2.340 -5.875 2.154) 6.681 22.121 ( -0.887 1.195 -0.512) 1.574 22.137 ( -0.368 -0.200 -1.156) 1.230 22.267 ( 4.172 6.817 -0.037) 7.992 22.323 ( 0.124 2.156 1.222) 2.482 22.358 ( -0.253 -0.526 0.379) 0.696 22.443 ( 5.488 -0.966 1.677) 5.819 22.494 ( 1.294 -4.976 -2.115) 5.559 22.555 ( 0.509 -3.684 0.060) 3.720 22.682 ( 0.066 2.536 0.986) 2.722 22.729 ( -0.123 -2.382 1.638) 2.894 23.109 ( -1.429 2.535 -2.152) 3.619 23.135 ( 2.900 0.861 0.988) 3.183 23.164 ( -0.325 -2.086 -0.378) 2.145 23.209 ( 2.007 -4.204 -0.262) 4.666 23.504 ( 1.973 1.407 -0.582) 2.492 23.532 ( 3.107 -1.060 -0.799) 3.379 23.652 ( -0.293 2.312 -1.995) 3.068 23.697 ( -0.447 -2.701 -2.175) 3.496 23.773 ( -1.024 2.949 3.733) 4.866 23.828 ( -1.318 -2.849 4.186) 5.233 23.970 ( 0.218 2.858 -0.932) 3.014 24.009 ( -0.734 -1.138 -1.887) 2.323 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 9.781 4.388 -1.162) 10.783 1.144 ( 5.475 -2.496 2.531) 6.527 1.432 ( 0.164 0.844 4.438) 4.521 1.451 ( 0.278 0.873 4.166) 4.266 1.529 ( 1.730 2.261 0.451) 2.882 1.623 ( 0.909 -2.881 -1.057) 3.201 1.674 ( -2.862 3.265 -3.189) 5.387 1.679 ( 4.226 0.769 -0.709) 4.353 1.745 ( 2.126 -0.592 -3.653) 4.268 1.793 ( 4.618 -0.963 -1.339) 4.903 1.834 ( -1.825 3.794 -3.576) 5.523 1.868 ( 3.400 -1.442 -0.795) 3.778 1.904 ( 0.194 1.355 -1.674) 2.162 1.986 ( -0.236 -6.394 2.089) 6.731 2.102 ( -3.034 2.678 3.951) 5.656 2.136 ( -1.322 -0.146 -2.707) 3.016 2.178 ( -0.760 0.529 -2.983) 3.123 2.201 ( 5.021 -0.313 -2.159) 5.474 2.283 ( 3.043 -1.657 -1.556) 3.798 2.309 ( -0.815 -1.096 3.231) 3.508 2.345 ( 0.161 -1.114 0.171) 1.138 2.356 ( 2.730 -0.729 -0.354) 2.848 2.380 ( -0.713 0.517 0.874) 1.240 2.396 ( -2.749 -1.028 0.864) 3.060 2.442 ( 1.449 -0.749 2.605) 3.073 2.452 ( -0.395 -1.141 0.737) 1.415 2.487 ( 3.974 1.498 0.338) 4.260 2.520 ( 0.736 -1.943 0.077) 2.079 2.616 ( 5.354 2.064 5.714) 8.098 2.623 ( -1.171 2.232 0.826) 2.653 2.708 ( 0.110 2.944 -0.222) 2.955 2.726 ( -0.340 0.443 3.837) 3.878 2.768 ( 0.171 -4.382 2.329) 4.965 2.790 ( -2.085 -3.207 -1.208) 4.011 2.856 ( -0.614 1.332 -1.007) 1.779 2.891 ( -1.704 -2.056 -1.661) 3.145 3.024 ( -4.133 3.837 -1.510) 5.838 3.047 ( 6.416 1.637 1.514) 6.793 3.073 ( 1.464 -1.941 1.522) 2.869 3.107 ( 1.305 -3.145 0.857) 3.511 3.196 ( -4.206 1.690 1.829) 4.888 3.215 ( 0.922 -0.967 -0.879) 1.599 3.287 ( 0.343 4.516 1.022) 4.643 3.324 ( -1.769 4.566 3.327) 5.920 3.375 ( -0.934 -3.557 2.873) 4.667 3.434 ( 0.000 -5.777 -0.101) 5.778 3.548 ( -1.814 3.900 -0.774) 4.371 3.601 ( -2.383 -1.385 -0.833) 2.879 3.673 ( 1.858 0.093 -2.560) 3.164 3.681 ( 0.164 -1.383 -0.713) 1.565 3.759 ( -4.009 4.236 -1.800) 6.104 3.792 ( -3.229 0.410 -3.017) 4.438 4.053 ( -5.728 1.986 0.713) 6.105 4.112 ( -3.746 -4.591 -0.321) 5.934 4.402 ( -0.342 1.898 -4.423) 4.825 4.433 ( -2.419 -1.567 -7.250) 7.802 4.619 ( 1.155 1.086 4.551) 4.820 4.631 ( -0.823 -0.313 3.821) 3.921 4.848 ( 0.482 2.118 -3.164) 3.838 4.895 ( 3.036 -2.384 -0.683) 3.920 4.989 ( 7.445 0.004 -0.715) 7.479 5.001 ( 2.405 -1.277 2.005) 3.382 5.117 ( -7.174 2.872 2.143) 8.019 5.179 ( -3.400 -4.036 0.546) 5.305 5.366 ( -3.268 0.282 6.316) 7.117 5.404 ( -0.473 -3.341 3.982) 5.220 5.551 ( 1.756 2.996 -2.720) 4.411 5.616 ( 1.440 -3.592 -2.124) 4.414 5.725 ( -2.205 5.419 0.535) 5.874 5.808 ( -2.171 0.132 -2.471) 3.292 5.841 ( -1.688 -0.480 -0.370) 1.793 5.920 ( 2.186 -4.170 -3.076) 5.624 5.947 ( 0.667 0.267 -2.394) 2.500 5.978 ( -2.162 -4.558 0.511) 5.070 6.134 ( 0.987 1.683 2.676) 3.312 6.165 ( 1.441 -1.629 3.571) 4.181 6.500 ( -1.603 5.378 2.128) 6.001 6.599 ( -1.823 -4.613 0.869) 5.035 6.627 ( 4.492 6.742 -6.387) 10.316 6.739 ( 2.916 -4.481 -7.148) 8.926 6.973 ( -1.364 8.082 5.116) 9.662 7.111 ( -0.998 -5.933 4.844) 7.724 7.280 ( 0.722 4.252 -3.511) 5.561 7.344 ( 0.370 -2.266 -0.653) 2.387 8.575 ( -1.163 1.694 2.742) 3.427 8.615 ( -1.840 -2.521 2.889) 4.253 8.692 ( -0.344 1.348 1.038) 1.736 8.706 ( -0.133 -0.150 0.165) 0.260 8.804 ( 2.214 1.633 1.474) 3.121 8.841 ( 2.078 -2.382 1.312) 3.422 8.939 ( 2.004 0.418 -2.535) 3.259 8.963 ( 0.466 -1.782 -0.949) 2.073 9.030 ( -0.620 1.875 0.069) 1.976 9.079 ( -1.851 -3.048 0.626) 3.621 9.346 ( -0.669 1.561 -2.108) 2.707 9.377 ( 1.150 1.458 -1.660) 2.491 9.386 ( -0.500 -1.397 -6.285) 6.457 9.390 ( -0.229 -0.206 -3.328) 3.342 9.451 ( -0.012 1.191 -3.433) 3.634 9.496 ( 0.079 -3.266 -0.615) 3.324 9.793 ( -2.593 1.020 1.289) 3.070 9.794 ( 1.426 1.162 0.104) 1.842 9.827 ( -1.791 -0.854 1.739) 2.638 9.840 ( -0.362 -3.385 -1.116) 3.583 9.950 ( 1.016 1.975 -2.153) 3.093 9.987 ( 2.873 -0.796 -2.514) 3.900 10.008 ( -5.482 1.751 2.353) 6.217 10.067 ( -5.151 -3.329 -0.444) 6.149 10.219 ( 2.243 3.436 6.050) 7.311 10.284 ( 2.023 -3.102 3.725) 5.253 10.584 ( 2.690 0.443 -0.940) 2.884 10.599 ( 2.787 -1.094 -0.426) 3.024 10.767 ( -1.636 3.030 0.682) 3.511 10.802 ( -1.650 -0.901 0.659) 1.992 11.061 ( 3.672 2.873 0.480) 4.687 11.101 ( 5.261 -1.624 0.922) 5.583 11.240 ( -1.675 1.638 -2.330) 3.304 11.266 ( 2.129 -0.900 0.701) 2.415 11.350 ( -2.861 5.887 1.239) 6.662 11.471 ( -1.828 -6.556 2.374) 7.208 12.066 ( -0.073 2.335 1.766) 2.928 12.110 ( -0.782 -2.206 2.688) 3.564 12.326 ( 0.391 7.712 -1.935) 7.961 12.451 ( 0.339 -5.721 -2.390) 6.209 12.840 ( -1.337 2.092 1.462) 2.881 12.880 ( -1.158 -2.183 0.745) 2.581 13.074 ( 0.786 1.838 1.012) 2.241 13.099 ( 0.874 -0.953 0.551) 1.406 13.525 ( 1.026 2.617 -0.897) 2.951 13.559 ( 0.261 -0.302 -1.960) 2.000 13.640 ( 0.406 2.552 2.587) 3.656 13.705 ( -0.229 -3.491 3.102) 4.676 13.896 ( -2.439 0.965 -1.219) 2.893 13.909 ( -2.382 -0.531 -0.491) 2.489 14.193 ( -1.241 5.195 -3.872) 6.597 14.286 ( -1.385 -4.642 -4.413) 6.553 14.982 ( -2.095 1.537 2.144) 3.369 15.008 ( -2.180 -1.331 2.200) 3.371 15.089 ( 1.924 0.820 -1.282) 2.453 15.100 ( 2.278 -0.228 -0.980) 2.490 15.189 ( -0.385 0.424 2.279) 2.350 15.201 ( -0.753 -0.885 1.226) 1.689 15.389 ( 1.161 1.703 -1.803) 2.738 15.425 ( -0.680 -2.063 -1.628) 2.714 19.868 ( 5.952 0.373 0.432) 5.979 19.879 ( 6.445 -0.854 0.136) 6.503 20.089 ( 5.465 2.391 -0.708) 6.008 20.118 ( 7.852 -0.814 -1.364) 8.011 20.238 ( -1.440 3.018 3.868) 5.113 20.303 ( -1.790 -3.731 3.294) 5.289 20.480 ( 0.010 3.346 -2.855) 4.398 20.522 ( -2.290 -0.996 -2.446) 3.496 21.179 ( 0.049 0.621 1.881) 1.981 21.214 ( -3.434 -2.914 1.452) 4.732 21.464 ( 3.473 5.254 -0.618) 6.328 21.519 ( -3.613 2.799 0.646) 4.616 21.594 ( 1.319 -3.359 -0.798) 3.696 21.662 ( -2.266 -7.978 0.507) 8.309 22.084 ( -1.807 2.211 -0.791) 2.963 22.102 ( -1.097 1.159 -1.444) 2.152 22.317 ( -0.733 4.959 0.700) 5.062 22.344 ( 3.110 3.015 -0.481) 4.358 22.367 ( -0.610 -2.621 1.461) 3.062 22.499 ( 0.832 -7.694 -1.859) 7.959 22.559 ( 5.817 -0.267 0.428) 5.839 22.591 ( 2.514 -1.092 0.346) 2.763 22.664 ( -2.576 1.880 1.043) 3.356 22.705 ( -3.519 -1.934 1.407) 4.254 23.081 ( -0.125 2.933 -1.055) 3.119 23.142 ( 0.134 -3.366 -0.651) 3.431 23.176 ( 0.676 1.694 0.225) 1.838 23.244 ( 0.913 -4.742 0.225) 4.834 23.534 ( 1.592 1.950 -0.234) 2.528 23.572 ( 1.507 -1.786 -0.063) 2.338 23.638 ( 0.732 1.831 -2.965) 3.561 23.666 ( -0.829 -1.501 -3.022) 3.475 23.789 ( -0.269 1.820 3.677) 4.112 23.828 ( -1.614 -2.148 3.509) 4.420 23.969 ( 0.202 2.366 -0.452) 2.417 23.993 ( 0.108 -0.180 -1.180) 1.198 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -4.612 3.275 2.063) 6.021 1.207 ( 1.210 -1.739 2.019) 2.926 1.301 ( -11.710 5.986 2.687) 13.423 1.414 ( -6.092 -6.482 -0.270) 8.899 1.501 ( -0.942 3.142 -1.887) 3.784 1.541 ( -5.810 0.714 -1.677) 6.089 1.703 ( 0.263 -2.160 -3.708) 4.300 1.714 ( 3.318 -3.281 -5.337) 7.089 1.780 ( -0.666 5.891 2.926) 6.611 1.813 ( 3.453 3.588 -5.180) 7.185 1.865 ( 3.942 3.066 -2.708) 5.681 1.910 ( 2.949 1.745 1.549) 3.760 1.967 ( 1.683 -1.873 4.492) 5.150 1.990 ( -3.675 -3.015 3.354) 5.818 2.039 ( -2.541 0.788 1.946) 3.296 2.079 ( -4.729 -2.526 2.066) 5.746 2.156 ( -8.368 1.080 -0.762) 8.472 2.169 ( 1.384 -1.974 -2.403) 3.404 2.257 ( -1.048 -0.362 -1.375) 1.766 2.277 ( -4.375 -1.968 -2.194) 5.275 2.303 ( -2.368 2.287 -1.691) 3.701 2.337 ( -4.202 0.566 0.550) 4.275 2.351 ( -0.904 -2.441 -2.069) 3.325 2.391 ( -1.556 -3.564 0.845) 3.980 2.451 ( -2.239 2.142 -2.071) 3.727 2.485 ( 2.486 -2.574 0.002) 3.579 2.533 ( -3.715 2.487 6.872) 8.199 2.574 ( -5.062 1.173 -0.319) 5.206 2.591 ( 5.717 1.179 3.116) 6.617 2.615 ( -2.580 -2.834 -0.177) 3.837 2.671 ( -1.055 0.693 1.813) 2.210 2.697 ( -9.540 -4.079 0.924) 10.417 2.730 ( 0.798 1.893 0.556) 2.128 2.817 ( 2.754 -6.468 0.372) 7.040 2.900 ( 4.969 4.109 3.696) 7.432 2.942 ( 2.512 0.234 2.284) 3.404 3.009 ( 0.773 0.493 -0.120) 0.925 3.026 ( -3.549 -1.064 -2.246) 4.333 3.080 ( -0.245 3.586 -0.643) 3.652 3.154 ( 0.098 -0.191 1.346) 1.363 3.161 ( 3.457 1.260 0.283) 3.691 3.245 ( 2.289 -3.470 0.392) 4.175 3.281 ( -1.096 2.922 0.315) 3.136 3.331 ( -4.288 -0.301 4.501) 6.223 3.388 ( -0.013 2.285 2.705) 3.541 3.476 ( 4.030 -4.623 1.496) 6.312 3.543 ( 1.271 3.596 -1.065) 3.960 3.587 ( 3.104 -0.153 -0.962) 3.254 3.662 ( -0.416 2.161 -3.756) 4.354 3.699 ( 0.140 -1.522 -0.535) 1.619 3.778 ( 7.709 2.671 -0.919) 8.210 3.818 ( 7.763 -1.094 -1.822) 8.049 4.024 ( 2.443 2.735 0.383) 3.687 4.098 ( 2.086 -5.258 -1.068) 5.757 4.337 ( -0.848 1.052 -4.675) 4.867 4.373 ( 1.190 -2.783 -5.306) 6.109 4.635 ( -1.222 2.430 1.495) 3.104 4.679 ( 0.604 -1.848 1.993) 2.785 4.841 ( 0.670 4.512 -1.641) 4.847 4.922 ( 0.324 -2.968 1.487) 3.336 5.050 ( 4.069 1.678 -1.294) 4.588 5.083 ( -0.124 -0.807 2.503) 2.632 5.106 ( 4.989 -1.625 0.254) 5.254 5.137 ( -0.482 -2.526 2.800) 3.801 5.355 ( -4.238 1.909 6.323) 7.847 5.409 ( -3.352 -3.311 4.425) 6.464 5.552 ( 0.206 2.679 -2.606) 3.743 5.604 ( -0.648 -2.526 -1.916) 3.236 5.696 ( 0.445 4.425 -1.722) 4.769 5.781 ( 2.408 -4.152 -3.632) 6.019 5.851 ( 1.918 1.595 0.557) 2.556 5.906 ( -0.540 -4.263 -0.635) 4.344 5.990 ( 4.517 -0.933 -1.453) 4.835 6.002 ( 4.512 -1.882 -1.261) 5.048 6.169 ( 0.756 2.479 3.802) 4.601 6.208 ( -0.452 -1.454 5.461) 5.669 6.457 ( -3.027 4.425 -0.815) 5.423 6.545 ( -3.751 -4.457 -1.732) 6.077 6.669 ( 4.035 6.696 -5.958) 9.829 6.756 ( 2.722 -1.258 -4.299) 5.242 6.951 ( -4.171 4.689 3.044) 6.975 7.066 ( -7.407 -6.068 5.456) 11.020 7.281 ( 2.215 5.451 -3.233) 6.713 7.365 ( 1.901 -3.204 -0.321) 3.739 8.566 ( -1.841 0.750 2.369) 3.092 8.594 ( -2.414 -2.327 2.563) 4.220 8.696 ( -0.011 1.137 1.053) 1.550 8.706 ( 0.027 0.026 0.059) 0.071 8.839 ( 0.346 1.687 2.032) 2.664 8.867 ( -0.524 -1.317 2.442) 2.824 8.940 ( -0.143 0.990 -1.808) 2.067 8.952 ( 0.731 1.086 -0.799) 1.534 9.021 ( -0.484 -1.460 -1.710) 2.300 9.067 ( -0.475 -5.016 1.771) 5.341 9.289 ( 0.118 2.458 -6.690) 7.129 9.325 ( -0.129 -1.321 -5.775) 5.926 9.394 ( -1.621 0.252 0.204) 1.653 9.404 ( 1.158 -0.602 -3.967) 4.176 9.451 ( 2.797 2.747 -2.708) 4.765 9.507 ( 2.169 -3.145 -0.545) 3.860 9.745 ( -2.015 1.965 -0.309) 2.832 9.780 ( -2.214 -0.711 -0.857) 2.478 9.828 ( 1.632 0.765 0.327) 1.832 9.875 ( 1.004 -2.940 0.367) 3.129 9.938 ( -1.475 1.643 0.228) 2.220 9.967 ( -0.064 -0.103 2.504) 2.507 10.002 ( -0.637 -0.876 -1.869) 2.160 10.026 ( 2.660 -2.252 -0.855) 3.589 10.308 ( 3.267 2.875 5.517) 7.026 10.350 ( 2.463 -1.200 4.206) 5.020 10.622 ( 1.684 0.831 -0.036) 1.878 10.645 ( 1.943 -1.346 -0.238) 2.375 10.709 ( -3.131 1.676 0.955) 3.677 10.748 ( -3.609 -2.335 -0.940) 4.400 11.088 ( -1.570 2.150 0.925) 2.819 11.093 ( -3.123 1.164 0.446) 3.362 11.249 ( -4.058 6.336 -1.110) 7.606 11.327 ( 5.165 4.610 1.066) 7.004 11.379 ( -0.463 -6.481 1.394) 6.645 11.417 ( 2.111 -4.811 1.921) 5.594 12.112 ( 2.874 2.145 3.817) 5.237 12.147 ( 1.871 -1.426 4.532) 5.106 12.303 ( -0.999 6.380 -3.073) 7.151 12.412 ( -2.159 -5.153 -4.373) 7.095 12.829 ( -0.742 2.331 0.591) 2.517 12.871 ( 0.170 -2.218 -0.377) 2.257 13.087 ( -0.651 1.322 1.922) 2.422 13.109 ( -0.437 -0.938 1.439) 1.772 13.554 ( 0.211 1.824 -1.529) 2.390 13.558 ( 2.489 1.588 -0.313) 2.969 13.683 ( 2.572 0.696 3.877) 4.704 13.707 ( -0.575 -1.157 2.350) 2.682 13.872 ( 0.178 1.520 -0.328) 1.565 13.900 ( 1.429 -1.541 -0.079) 2.103 14.148 ( -0.138 4.637 -5.758) 7.395 14.233 ( -0.350 -4.261 -6.740) 7.981 14.967 ( -0.866 1.514 1.463) 2.277 14.996 ( -0.630 -1.615 1.659) 2.399 15.130 ( 2.720 1.302 -0.481) 3.054 15.144 ( 2.474 -0.041 0.559) 2.537 15.212 ( 0.811 0.036 2.154) 2.302 15.225 ( 1.511 -1.186 3.843) 4.297 15.364 ( -1.911 1.165 -2.899) 3.663 15.388 ( -1.156 -1.300 -3.272) 3.706 19.861 ( -6.785 0.600 0.260) 6.817 19.877 ( -6.617 -1.156 0.131) 6.719 20.132 ( -0.914 4.184 -0.743) 4.347 20.191 ( 2.067 -2.308 -2.083) 3.734 20.234 ( -2.389 1.532 5.108) 5.843 20.275 ( -4.061 -2.562 4.968) 6.909 20.466 ( -0.239 1.752 -3.048) 3.524 20.477 ( 0.402 0.569 -3.792) 3.855 21.170 ( -2.438 -0.001 1.063) 2.660 21.198 ( 0.365 -2.803 1.490) 3.195 21.465 ( -2.066 6.099 -0.269) 6.445 21.540 ( 4.425 2.564 1.297) 5.276 21.610 ( -0.825 -5.456 -0.542) 5.544 21.639 ( 1.351 -5.661 -0.038) 5.820 22.069 ( 1.086 3.288 -1.220) 3.671 22.099 ( 1.833 0.564 -1.626) 2.514 22.300 ( -1.682 3.491 -0.059) 3.876 22.349 ( -1.379 2.432 0.391) 2.823 22.364 ( -1.284 -1.878 0.861) 2.432 22.484 ( -2.601 -7.857 -1.858) 8.482 22.544 ( -5.642 3.233 0.196) 6.506 22.586 ( -3.326 -1.878 0.019) 3.820 22.693 ( 3.861 -0.665 1.253) 4.113 22.704 ( 3.632 -2.759 1.968) 4.968 23.097 ( 1.504 5.476 -0.263) 5.685 23.128 ( -1.098 1.351 -1.690) 2.426 23.191 ( 0.081 -3.446 1.159) 3.636 23.237 ( -0.881 -6.465 -0.385) 6.536 23.552 ( 0.067 1.807 0.518) 1.881 23.579 ( -0.727 -0.821 0.010) 1.097 23.635 ( 0.412 0.286 -3.004) 3.046 23.642 ( 1.246 -0.776 -3.437) 3.737 23.798 ( -1.645 0.994 3.439) 3.940 23.819 ( -1.657 -1.300 3.230) 3.856 23.972 ( 0.476 2.794 -0.521) 2.881 24.003 ( 1.769 -0.486 -0.730) 1.974 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -13.444 8.477 2.393) 16.073 1.101 ( -11.884 8.256 1.914) 14.597 1.172 ( -7.383 -6.869 2.863) 10.483 1.317 ( -6.909 -11.388 1.099) 13.365 1.445 ( -3.390 4.137 -2.524) 5.914 1.480 ( 0.350 0.331 -4.596) 4.621 1.586 ( -18.049 10.586 3.582) 21.229 1.691 ( -0.658 -2.222 -0.662) 2.410 1.716 ( -3.558 0.982 -3.344) 4.980 1.801 ( -3.083 -2.507 -1.189) 4.147 1.858 ( -1.979 0.983 -0.983) 2.418 1.909 ( -1.744 -1.945 0.278) 2.627 1.941 ( -4.133 2.623 0.605) 4.932 1.985 ( -2.259 3.267 1.683) 4.314 2.016 ( -0.537 -2.540 -0.049) 2.597 2.044 ( -0.368 -2.678 2.697) 3.819 2.110 ( -1.276 -1.022 0.391) 1.681 2.125 ( -6.408 -2.883 -1.072) 7.108 2.181 ( -1.913 1.468 -2.384) 3.391 2.226 ( -4.125 -0.117 0.462) 4.152 2.271 ( 0.572 0.553 3.452) 3.542 2.282 ( -1.490 0.676 0.205) 1.649 2.317 ( -2.183 -2.377 -1.501) 3.560 2.353 ( -0.792 -4.867 -0.300) 4.941 2.387 ( -2.510 3.377 2.914) 5.118 2.443 ( -2.021 -0.702 -2.938) 3.634 2.484 ( -1.342 -0.168 -0.343) 1.395 2.528 ( -4.222 -3.563 0.373) 5.537 2.572 ( -1.801 1.447 1.285) 2.644 2.599 ( -1.501 -0.981 2.147) 2.797 2.717 ( 1.175 2.131 2.249) 3.314 2.734 ( 5.190 0.116 1.844) 5.509 2.769 ( 4.046 0.388 1.351) 4.283 2.813 ( -2.157 -3.819 1.182) 4.542 2.896 ( -3.978 2.547 2.770) 5.476 2.946 ( -3.058 -2.592 -0.042) 4.009 2.986 ( 0.984 4.669 0.539) 4.802 3.051 ( 0.991 0.819 -1.250) 1.793 3.111 ( 1.591 6.211 2.727) 6.967 3.172 ( 0.680 -0.039 -2.001) 2.114 3.202 ( 3.616 -0.851 -1.896) 4.170 3.273 ( -0.234 -3.149 3.202) 4.498 3.327 ( 6.394 2.353 -1.680) 7.017 3.350 ( 6.291 -2.640 0.526) 6.842 3.411 ( 1.335 1.709 1.460) 2.614 3.511 ( -0.784 -7.380 2.252) 7.756 3.585 ( 2.627 4.630 0.398) 5.339 3.650 ( 2.093 -2.357 0.295) 3.166 3.659 ( 3.082 4.942 -2.781) 6.454 3.717 ( 3.056 -0.173 -0.452) 3.094 3.908 ( 5.575 0.168 -0.893) 5.649 3.927 ( 4.892 -1.572 -2.007) 5.516 4.117 ( 6.337 1.755 -0.897) 6.636 4.152 ( 5.141 -2.230 -2.837) 6.281 4.346 ( 3.926 3.543 -0.042) 5.288 4.423 ( 6.052 -4.615 -0.289) 7.616 4.608 ( -0.853 2.857 -1.854) 3.511 4.673 ( -1.193 -4.240 0.628) 4.449 4.846 ( 0.499 5.339 -0.694) 5.407 4.935 ( -0.668 -3.933 1.408) 4.231 5.090 ( 3.000 0.619 -3.170) 4.408 5.118 ( 1.588 -0.572 -1.941) 2.572 5.173 ( 4.494 2.968 1.028) 5.483 5.221 ( 5.745 -1.746 0.984) 6.085 5.295 ( -5.860 0.267 5.642) 8.139 5.350 ( -5.014 -4.615 3.813) 7.809 5.534 ( -0.154 1.366 -1.178) 1.811 5.585 ( -0.320 -3.965 -0.866) 4.071 5.705 ( 0.869 5.838 -3.251) 6.738 5.805 ( 0.962 -3.343 -3.177) 4.711 5.851 ( -1.235 0.177 1.042) 1.625 5.918 ( 0.154 -5.917 1.528) 6.113 6.058 ( 2.336 0.100 -0.911) 2.509 6.082 ( 2.810 -2.566 0.704) 3.870 6.226 ( 4.232 3.046 1.924) 5.558 6.255 ( 4.337 0.542 3.149) 5.387 6.408 ( -1.261 3.001 -1.756) 3.699 6.473 ( -2.184 -3.293 -2.511) 4.682 6.658 ( -2.075 7.004 -3.077) 7.926 6.758 ( -0.628 -2.422 -2.850) 3.793 6.878 ( -5.307 5.344 3.132) 8.157 6.988 ( -2.571 -4.587 2.301) 5.740 7.310 ( 2.469 4.185 -1.796) 5.180 7.388 ( 0.207 -3.736 0.719) 3.811 8.538 ( -3.123 0.666 2.528) 4.072 8.563 ( -3.172 -2.004 2.797) 4.680 8.702 ( 0.052 0.576 0.305) 0.654 8.708 ( 0.351 -0.059 0.076) 0.364 8.836 ( -1.632 1.546 0.887) 2.417 8.860 ( -1.513 -0.936 1.176) 2.133 8.947 ( 1.698 1.385 -1.544) 2.680 8.986 ( 0.562 3.672 2.191) 4.312 9.001 ( 1.974 -2.982 -0.303) 3.589 9.092 ( 1.718 -6.308 3.060) 7.218 9.256 ( -1.160 1.907 -2.634) 3.452 9.288 ( -2.542 -1.543 -0.486) 3.013 9.344 ( -1.884 1.400 -3.222) 3.986 9.378 ( 1.607 -2.037 -7.410) 7.851 9.501 ( 4.211 3.799 -2.752) 6.304 9.557 ( 3.530 -2.110 -1.725) 4.460 9.709 ( -1.836 1.699 -0.419) 2.536 9.735 ( -2.182 -1.125 -0.844) 2.596 9.847 ( 0.078 -0.019 -0.336) 0.346 9.864 ( -0.077 -0.998 -1.806) 2.065 9.945 ( 2.129 2.148 0.800) 3.129 10.004 ( 2.590 -3.340 0.201) 4.232 10.041 ( 3.546 0.931 2.990) 4.730 10.072 ( 2.760 -2.288 0.272) 3.596 10.386 ( 2.148 3.327 1.851) 4.371 10.419 ( 2.415 0.524 2.366) 3.421 10.606 ( -2.458 1.233 -1.608) 3.186 10.628 ( -0.662 -1.257 -2.292) 2.697 10.714 ( 0.038 -0.003 4.670) 4.671 10.738 ( 0.308 -2.149 4.155) 4.688 11.033 ( -3.409 2.077 0.177) 3.996 11.056 ( -3.010 -0.085 0.709) 3.093 11.143 ( -3.652 5.450 -3.518) 7.444 11.255 ( -6.013 -6.078 -3.056) 9.080 11.448 ( 4.637 5.035 2.066) 7.151 11.536 ( 3.786 -4.351 3.150) 6.572 12.196 ( 2.907 1.887 3.338) 4.812 12.210 ( 2.089 1.491 3.470) 4.316 12.268 ( -0.510 2.617 -1.557) 3.088 12.335 ( -2.578 -3.543 -4.689) 6.418 12.816 ( -1.533 3.207 0.698) 3.622 12.878 ( 0.350 -3.393 -0.250) 3.420 13.074 ( -1.671 0.989 0.908) 2.143 13.099 ( -1.615 -1.579 1.047) 2.490 13.544 ( 0.078 2.878 -1.482) 3.238 13.585 ( 0.938 -1.470 -1.330) 2.193 13.751 ( 3.847 3.042 1.269) 5.066 13.776 ( 4.164 -0.225 3.686) 5.565 13.895 ( 2.506 3.339 2.587) 4.911 13.953 ( 3.434 -2.874 2.975) 5.376 14.121 ( 1.671 4.131 -6.209) 7.643 14.197 ( 1.735 -3.619 -7.307) 8.337 14.961 ( -1.160 1.547 0.727) 2.066 14.994 ( -1.184 -2.073 0.499) 2.439 15.157 ( 0.578 1.476 -1.016) 1.883 15.182 ( 0.938 -1.260 -1.023) 1.874 15.222 ( -0.795 1.762 1.637) 2.533 15.263 ( 0.072 -2.356 1.833) 2.986 15.341 ( 1.545 1.579 -0.948) 2.404 15.365 ( 1.481 -0.878 -1.501) 2.283 19.672 ( -13.261 0.372 -0.173) 13.268 19.685 ( -13.605 -1.112 -0.105) 13.650 20.017 ( -11.432 6.901 0.411) 13.360 20.143 ( -6.722 -6.344 -0.541) 9.259 20.242 ( -0.460 1.341 4.075) 4.315 20.273 ( -0.436 -1.870 4.622) 5.005 20.424 ( -0.659 2.561 -3.551) 4.427 20.473 ( 0.639 -2.530 -3.151) 4.091 21.142 ( -1.612 1.080 1.421) 2.406 21.197 ( -1.599 -4.795 1.704) 5.334 21.455 ( 1.422 6.789 -1.202) 7.040 21.589 ( 0.809 -7.500 -1.610) 7.714 21.626 ( 2.808 2.459 2.945) 4.754 21.680 ( 2.024 -2.832 1.337) 3.729 22.102 ( 2.874 3.710 -1.243) 4.855 22.128 ( 1.834 0.847 -2.006) 2.847 22.245 ( -4.610 4.811 -0.708) 6.700 22.294 ( -4.019 3.262 0.962) 5.265 22.350 ( -8.444 -4.535 -0.970) 9.633 22.367 ( 1.430 -4.364 0.694) 4.644 22.501 ( -0.751 1.510 -0.062) 1.688 22.548 ( -0.390 -4.336 -0.345) 4.368 22.761 ( 2.098 -0.166 2.563) 3.316 22.784 ( 2.796 -3.130 3.150) 5.248 23.045 ( -4.069 4.000 -2.357) 6.173 23.128 ( -5.288 -5.559 -1.873) 7.898 23.159 ( 1.904 4.052 0.492) 4.504 23.249 ( 0.934 -5.266 0.295) 5.356 23.532 ( -2.223 1.372 -0.508) 2.661 23.549 ( -2.266 -0.444 -0.202) 2.318 23.637 ( 1.920 -0.147 -2.462) 3.125 23.647 ( 0.912 -1.014 -1.455) 1.994 23.782 ( -2.001 1.988 2.772) 3.954 23.813 ( -1.624 -1.389 3.419) 4.032 23.982 ( 1.114 3.762 -0.779) 4.000 24.039 ( 2.649 -2.242 -0.818) 3.566 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -11.341 13.300 2.958) 17.727 0.902 ( -12.733 13.322 5.346) 19.188 1.042 ( -7.550 -14.359 -0.033) 16.223 1.171 ( -9.078 -14.423 2.148) 17.177 1.322 ( -12.669 21.370 10.506) 26.973 1.374 ( -0.504 4.085 -10.016) 10.829 1.446 ( -1.602 -3.302 -5.859) 6.914 1.620 ( -4.328 -1.495 -0.050) 4.580 1.670 ( -2.808 -3.873 3.846) 6.138 1.750 ( -3.402 -1.056 1.230) 3.769 1.803 ( -4.125 -0.347 -1.987) 4.591 1.856 ( -5.666 -3.365 -1.811) 6.834 1.882 ( -2.260 -2.026 0.937) 3.176 1.925 ( 0.507 -1.031 2.393) 2.655 2.001 ( -1.139 1.500 1.985) 2.736 2.025 ( -0.180 -0.920 1.491) 1.762 2.089 ( -0.499 0.068 0.675) 0.842 2.095 ( 0.466 -0.340 -1.903) 1.988 2.134 ( -2.831 1.206 -1.173) 3.293 2.164 ( -3.093 -2.515 4.014) 5.657 2.240 ( -0.422 2.968 -0.881) 3.124 2.292 ( -0.532 -3.034 -1.971) 3.657 2.346 ( 2.361 -0.204 0.362) 2.398 2.365 ( -1.504 3.266 -0.429) 3.621 2.385 ( 0.621 -3.208 3.142) 4.533 2.412 ( -0.777 -0.865 3.961) 4.128 2.471 ( 1.265 2.356 -0.780) 2.786 2.519 ( 3.053 -1.535 -0.299) 3.430 2.573 ( -2.628 0.934 4.446) 5.248 2.599 ( 1.186 -2.093 4.366) 4.985 2.726 ( -0.950 2.502 1.818) 3.235 2.773 ( -1.908 -1.255 1.818) 2.919 2.796 ( 0.174 0.190 -0.856) 0.894 2.820 ( -0.269 -2.218 0.414) 2.273 2.862 ( -2.231 3.240 -0.627) 3.984 2.912 ( -1.929 -2.234 -0.158) 2.955 2.992 ( 3.556 6.920 -4.705) 9.092 3.026 ( -0.811 6.259 -2.915) 6.952 3.137 ( 0.020 0.331 1.213) 1.257 3.199 ( 2.293 -5.260 -3.026) 6.487 3.262 ( 4.296 -0.444 0.195) 4.323 3.307 ( 0.772 -0.626 2.406) 2.603 3.439 ( 5.127 1.760 1.415) 5.602 3.441 ( 3.186 0.637 1.006) 3.401 3.464 ( 4.081 -0.565 -2.341) 4.738 3.520 ( 0.317 -5.506 2.896) 6.229 3.610 ( 0.311 2.609 0.385) 2.655 3.664 ( -0.990 -2.836 0.496) 3.044 3.725 ( 5.400 5.306 0.600) 7.595 3.782 ( 3.270 0.070 1.447) 3.577 3.951 ( 1.099 -0.920 -2.324) 2.731 3.959 ( 0.982 -1.403 -2.561) 3.081 4.179 ( 1.848 2.182 -1.279) 3.132 4.219 ( 3.892 -2.086 -2.284) 4.971 4.457 ( 6.259 4.591 1.158) 7.849 4.535 ( 4.738 -3.009 0.314) 5.621 4.591 ( 1.087 1.617 -4.236) 4.663 4.661 ( -1.377 -5.467 1.271) 5.779 4.860 ( 2.632 3.848 -1.108) 4.792 4.920 ( -0.945 -2.777 0.321) 2.951 5.085 ( -2.200 1.766 -1.628) 3.257 5.132 ( 0.714 -1.851 -1.789) 2.671 5.186 ( -0.539 3.380 1.010) 3.568 5.255 ( -0.665 -4.110 0.485) 4.192 5.329 ( -0.015 -1.930 1.905) 2.712 5.334 ( 3.555 -2.187 0.364) 4.190 5.541 ( 1.363 0.539 -1.061) 1.809 5.590 ( 1.411 -3.995 -0.787) 4.310 5.676 ( -0.745 6.971 -1.550) 7.180 5.781 ( -1.483 0.596 -1.072) 1.924 5.839 ( -0.982 -3.576 1.459) 3.985 5.913 ( -2.656 -7.154 3.710) 8.485 6.056 ( -1.465 0.481 -3.101) 3.463 6.081 ( 1.251 -2.070 -3.809) 4.512 6.308 ( -0.488 2.968 1.480) 3.352 6.339 ( 1.867 1.558 0.021) 2.432 6.397 ( 0.392 1.922 2.180) 2.932 6.452 ( 1.442 -1.591 0.853) 2.311 6.619 ( 0.136 5.149 -0.518) 5.177 6.707 ( -0.613 -4.264 -2.081) 4.784 6.859 ( 0.146 8.601 2.497) 8.957 6.994 ( 1.212 -5.158 0.389) 5.312 7.323 ( -0.618 2.933 -0.301) 3.012 7.382 ( -0.738 -2.654 0.038) 2.754 8.501 ( -2.814 0.983 3.183) 4.361 8.527 ( -3.053 -1.817 3.749) 5.166 8.704 ( 0.209 0.407 -0.270) 0.532 8.715 ( 0.197 -0.750 0.052) 0.778 8.795 ( -2.831 1.189 -0.909) 3.202 8.826 ( -2.262 -1.774 -0.648) 2.946 8.970 ( 2.210 1.592 -2.245) 3.530 8.991 ( 0.507 -0.947 -0.892) 1.396 9.084 ( 3.545 2.264 2.903) 5.110 9.129 ( -0.258 -1.753 1.475) 2.305 9.213 ( -2.661 0.336 1.696) 3.173 9.237 ( -3.229 -1.638 1.247) 3.830 9.333 ( 2.970 1.438 -0.160) 3.304 9.383 ( 2.944 -2.998 -3.183) 5.272 9.557 ( 4.078 3.465 -3.197) 6.234 9.581 ( 1.434 0.661 -4.293) 4.574 9.696 ( -1.040 -1.137 1.758) 2.338 9.704 ( 0.073 -1.401 0.949) 1.694 9.842 ( 0.709 1.094 -0.848) 1.555 9.869 ( 1.530 -1.355 -2.117) 2.943 10.015 ( 4.834 1.653 0.501) 5.133 10.055 ( 2.601 -1.923 -1.018) 3.391 10.109 ( 2.045 -0.237 1.504) 2.549 10.120 ( 2.431 -1.877 1.056) 3.248 10.397 ( -0.959 2.398 -0.805) 2.705 10.417 ( -3.048 0.258 -0.309) 3.074 10.598 ( 2.177 1.925 -0.981) 3.067 10.618 ( -0.670 -0.357 -0.126) 0.770 10.710 ( -3.030 -0.174 0.227) 3.044 10.723 ( -4.242 -1.387 0.728) 4.522 10.982 ( -1.949 1.335 -0.877) 2.520 10.997 ( -3.311 -0.066 -0.944) 3.444 11.135 ( 4.006 2.368 0.490) 4.679 11.194 ( 1.010 -3.904 -0.281) 4.043 11.498 ( 0.386 4.191 0.051) 4.209 11.574 ( -0.604 -3.957 0.424) 4.026 12.208 ( 0.532 3.046 -2.267) 3.834 12.246 ( -1.313 -0.920 -2.293) 2.798 12.288 ( 2.577 1.252 2.823) 4.022 12.302 ( -0.100 -0.381 1.009) 1.083 12.784 ( -2.640 3.466 2.358) 4.954 12.859 ( -2.824 -4.653 1.175) 5.568 13.053 ( -0.530 1.321 -0.274) 1.449 13.078 ( -0.813 -1.313 -0.213) 1.559 13.541 ( 0.497 3.142 -0.877) 3.299 13.590 ( 0.722 -1.971 -0.874) 2.273 13.789 ( 0.870 2.333 -5.140) 5.711 13.819 ( 0.084 -1.086 -2.110) 2.375 14.005 ( 3.422 2.658 5.051) 6.655 14.053 ( 2.981 -2.700 5.884) 7.127 14.154 ( 8.234 5.121 -3.188) 10.207 14.223 ( 5.710 -2.392 -3.556) 7.139 14.924 ( -2.999 0.673 0.584) 3.129 14.939 ( -4.135 -1.003 -0.670) 4.308 15.143 ( -0.642 1.185 -1.294) 1.868 15.165 ( -0.599 -1.342 -0.695) 1.626 15.249 ( 1.952 1.234 0.958) 2.500 15.274 ( 0.620 -1.306 0.288) 1.474 15.365 ( 1.077 1.976 -1.229) 2.564 15.395 ( 0.828 -1.218 0.113) 1.477 19.465 ( -8.710 0.087 0.011) 8.710 19.471 ( -9.125 -0.530 0.149) 9.142 19.779 ( -13.601 6.944 -1.212) 15.319 19.925 ( -16.632 -9.014 -3.269) 19.198 20.252 ( -0.787 1.825 2.469) 3.169 20.290 ( -0.496 -2.309 3.775) 4.453 20.421 ( 1.948 3.545 -1.147) 4.204 20.499 ( 3.234 -5.428 2.702) 6.872 21.140 ( 0.116 1.100 3.176) 3.363 21.180 ( -1.788 -3.194 3.549) 5.098 21.483 ( 2.351 6.938 -2.012) 7.596 21.606 ( 1.815 -5.524 -1.424) 5.986 21.680 ( 1.008 0.457 3.278) 3.460 21.714 ( 0.394 -2.365 2.339) 3.349 22.075 ( -4.389 0.988 -2.719) 5.257 22.098 ( -4.314 -1.257 -2.419) 5.103 22.180 ( -1.965 4.231 3.040) 5.568 22.257 ( -0.205 -2.437 0.326) 2.467 22.296 ( 2.963 7.701 -0.351) 8.259 22.415 ( 3.150 -3.345 -0.474) 4.619 22.493 ( -0.297 1.269 0.882) 1.573 22.564 ( 2.284 -5.567 -0.006) 6.018 22.779 ( -2.575 0.378 1.603) 3.057 22.814 ( -2.472 -3.757 0.689) 4.550 22.975 ( -2.001 1.043 0.948) 2.448 23.005 ( -5.377 -2.427 -0.606) 5.930 23.188 ( 0.958 3.301 -0.424) 3.463 23.253 ( -0.003 -3.425 -1.184) 3.623 23.487 ( -2.025 1.181 -0.625) 2.426 23.507 ( -2.049 -0.888 -0.496) 2.288 23.651 ( 0.609 0.333 -0.456) 0.831 23.664 ( 1.728 -1.217 -0.678) 2.220 23.773 ( -0.981 2.221 2.865) 3.756 23.805 ( -1.740 -1.237 3.558) 4.149 23.996 ( 1.104 4.358 -1.490) 4.736 24.074 ( 1.929 -3.848 -1.818) 4.672 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 11.300 0.000 8.641) 14.225 0.693 ( -8.541 0.000 7.142) 11.133 0.995 ( -5.103 0.000 9.056) 10.395 1.009 ( -5.043 0.000 -1.758) 5.341 1.212 ( -1.728 0.000 1.985) 2.632 1.327 ( 4.430 0.000 -10.865) 11.733 1.490 ( 2.251 0.000 2.544) 3.397 1.569 ( 3.156 0.000 -0.402) 3.181 1.703 ( -0.721 0.000 0.117) 0.730 1.713 ( 0.550 0.000 -0.764) 0.942 1.810 ( -0.209 0.000 -0.765) 0.793 1.873 ( 0.690 0.000 -5.526) 5.569 1.941 ( -2.973 0.000 8.297) 8.813 2.020 ( -0.589 0.000 -0.717) 0.928 2.037 ( -1.588 0.000 -1.532) 2.206 2.071 ( 3.270 0.000 -4.232) 5.348 2.074 ( 1.293 0.000 9.290) 9.380 2.114 ( 5.332 0.000 1.623) 5.574 2.150 ( -3.064 0.000 -1.362) 3.353 2.168 ( -0.607 0.000 -1.926) 2.019 2.184 ( 0.671 0.000 5.911) 5.949 2.279 ( -1.751 0.000 0.871) 1.956 2.313 ( -0.049 0.000 -4.015) 4.016 2.347 ( -0.425 0.000 -7.248) 7.261 2.460 ( 4.793 0.000 3.847) 6.146 2.489 ( -7.153 0.000 -2.504) 7.579 2.495 ( -3.699 0.000 3.590) 5.155 2.533 ( 0.313 0.000 -0.487) 0.579 2.571 ( -0.125 0.000 6.336) 6.337 2.616 ( 2.801 0.000 0.123) 2.803 2.631 ( 1.886 0.000 1.158) 2.213 2.731 ( -0.345 0.000 -0.484) 0.594 2.734 ( -4.754 0.000 -4.835) 6.781 2.764 ( -0.070 0.000 -2.567) 2.568 2.849 ( 3.906 0.000 4.471) 5.937 2.891 ( -3.926 0.000 1.031) 4.059 3.041 ( 6.165 0.000 2.838) 6.787 3.103 ( -5.363 0.000 -2.542) 5.934 3.166 ( 2.168 0.000 5.043) 5.489 3.201 ( 1.925 0.000 -1.481) 2.429 3.290 ( 0.298 0.000 2.800) 2.815 3.394 ( 1.303 0.000 -2.732) 3.027 3.414 ( -4.511 0.000 3.533) 5.730 3.450 ( -1.567 0.000 0.562) 1.665 3.492 ( 1.160 0.000 -3.827) 3.999 3.504 ( 1.178 0.000 -4.417) 4.572 3.637 ( -7.424 0.000 -0.870) 7.474 3.644 ( 5.593 0.000 -1.525) 5.797 3.794 ( 4.769 0.000 2.414) 5.345 3.817 ( -2.781 0.000 -0.045) 2.782 3.954 ( -0.076 0.000 1.199) 1.201 3.969 ( -1.942 0.000 -0.503) 2.006 4.213 ( 2.872 0.000 2.923) 4.098 4.299 ( 4.119 0.000 0.506) 4.150 4.345 ( -5.291 0.000 -2.749) 5.962 4.349 ( 2.005 0.000 -8.811) 9.036 4.700 ( -0.396 0.000 -1.193) 1.257 4.711 ( -1.169 0.000 -2.288) 2.570 4.827 ( 5.148 0.000 -0.118) 5.150 4.833 ( -7.763 0.000 -0.805) 7.805 5.183 ( -13.515 0.000 5.335) 14.530 5.246 ( 15.568 0.000 -0.268) 15.570 5.301 ( 4.732 0.000 3.401) 5.828 5.387 ( -4.502 0.000 -4.809) 6.587 5.443 ( 4.240 0.000 1.164) 4.397 5.476 ( -6.762 0.000 -0.781) 6.807 5.497 ( -1.667 0.000 2.594) 3.084 5.563 ( 1.819 0.000 -1.720) 2.504 5.603 ( 6.571 0.000 -0.280) 6.577 5.643 ( -1.670 0.000 -5.578) 5.823 5.950 ( -3.611 0.000 0.978) 3.741 5.965 ( 1.840 0.000 -0.376) 1.878 6.122 ( -0.756 0.000 0.537) 0.927 6.151 ( -1.958 0.000 -1.890) 2.721 6.192 ( -3.561 0.000 4.278) 5.566 6.266 ( 3.550 0.000 -2.919) 4.596 6.384 ( 1.291 0.000 2.482) 2.798 6.438 ( -2.303 0.000 -2.207) 3.190 6.642 ( 0.284 0.000 4.912) 4.920 6.716 ( 1.451 0.000 -2.200) 2.635 6.741 ( -1.060 0.000 6.693) 6.776 6.894 ( 2.709 0.000 -7.708) 8.170 7.352 ( -7.297 0.000 2.650) 7.763 7.389 ( 4.236 0.000 -1.203) 4.404 8.574 ( 1.879 0.000 4.673) 5.036 8.631 ( -4.536 0.000 4.936) 6.703 8.666 ( -1.662 0.000 -4.591) 4.883 8.704 ( -0.690 0.000 -3.091) 3.167 8.714 ( 0.680 0.000 2.660) 2.745 8.789 ( -2.103 0.000 -4.442) 4.914 8.844 ( -0.010 0.000 1.530) 1.530 8.910 ( 1.286 0.000 -5.175) 5.332 9.108 ( 2.745 0.000 5.206) 5.885 9.163 ( 2.946 0.000 -1.348) 3.240 9.196 ( -5.141 0.000 5.947) 7.861 9.342 ( 3.836 0.000 -8.705) 9.513 9.402 ( 0.863 0.000 7.615) 7.663 9.500 ( -4.756 0.000 7.476) 8.860 9.515 ( 2.604 0.000 -2.100) 3.345 9.627 ( 3.850 0.000 -5.300) 6.551 9.763 ( -0.862 0.000 3.528) 3.632 9.809 ( -0.053 0.000 4.144) 4.144 9.824 ( 1.272 0.000 -2.481) 2.788 9.886 ( -1.402 0.000 -3.849) 4.096 9.931 ( 1.962 0.000 -1.062) 2.231 9.970 ( -0.167 0.000 -5.310) 5.313 10.224 ( -3.728 0.000 0.783) 3.809 10.234 ( 4.255 0.000 0.316) 4.267 10.303 ( -0.879 0.000 0.619) 1.075 10.324 ( -1.571 0.000 -1.106) 1.921 10.474 ( 4.749 0.000 1.348) 4.936 10.503 ( -4.131 0.000 -1.402) 4.363 10.600 ( -5.766 0.000 -0.369) 5.777 10.633 ( 0.103 0.000 -2.696) 2.698 10.944 ( -0.071 0.000 0.217) 0.228 10.946 ( 0.484 0.000 0.073) 0.490 11.345 ( 3.484 0.000 0.293) 3.496 11.361 ( -3.460 0.000 -1.249) 3.679 11.401 ( 5.230 0.000 7.645) 9.263 11.534 ( -5.010 0.000 -5.813) 7.674 12.057 ( 0.920 0.000 -0.372) 0.992 12.076 ( -1.403 0.000 -2.086) 2.514 12.295 ( -4.925 0.000 1.092) 5.045 12.313 ( 4.878 0.000 -0.684) 4.926 12.850 ( -1.076 0.000 6.990) 7.072 12.973 ( 2.204 0.000 -5.288) 5.729 12.987 ( -0.806 0.000 3.713) 3.799 13.039 ( -0.261 0.000 -1.736) 1.756 13.474 ( 1.010 0.000 0.281) 1.048 13.477 ( -1.188 0.000 -0.079) 1.191 13.659 ( 2.570 0.000 1.573) 3.013 13.727 ( -3.589 0.000 -4.979) 6.138 14.071 ( -2.264 0.000 2.846) 3.637 14.073 ( 2.480 0.000 1.549) 2.924 14.300 ( -3.877 0.000 -0.305) 3.889 14.310 ( 6.011 0.000 -0.713) 6.054 14.985 ( 3.498 0.000 5.181) 6.251 15.041 ( 3.122 0.000 2.060) 3.741 15.051 ( -2.618 0.000 -1.577) 3.056 15.129 ( -1.924 0.000 -6.686) 6.958 15.250 ( -0.530 0.000 1.452) 1.546 15.269 ( 1.187 0.000 -0.608) 1.333 15.342 ( 5.738 0.000 2.048) 6.092 15.385 ( -5.144 0.000 -2.055) 5.539 19.383 ( -2.548 0.000 0.371) 2.575 19.392 ( 2.164 0.000 -0.626) 2.253 19.579 ( 3.411 0.000 2.171) 4.043 19.622 ( -7.555 0.000 -2.179) 7.863 20.250 ( -0.456 0.000 2.384) 2.427 20.297 ( 0.245 0.000 -2.243) 2.256 20.569 ( 2.228 0.000 9.822) 10.071 20.764 ( -4.920 0.000 -9.922) 11.075 21.212 ( 0.055 0.000 1.477) 1.478 21.253 ( 0.554 0.000 -2.560) 2.619 21.545 ( 2.068 0.000 7.154) 7.446 21.673 ( -1.524 0.000 -5.962) 6.154 21.788 ( -1.868 0.000 4.346) 4.731 21.880 ( 4.582 0.000 -4.667) 6.540 22.052 ( 4.186 0.000 2.532) 4.892 22.079 ( -6.075 0.000 -0.981) 6.154 22.086 ( 5.524 0.000 1.234) 5.660 22.120 ( 0.830 0.000 -1.294) 1.538 22.302 ( 2.965 0.000 2.500) 3.878 22.363 ( -5.909 0.000 -3.060) 6.654 22.540 ( -1.230 0.000 2.715) 2.980 22.573 ( 2.377 0.000 -0.881) 2.535 22.803 ( -5.749 0.000 0.578) 5.778 22.817 ( 0.386 0.000 -0.296) 0.486 23.023 ( 3.131 0.000 1.340) 3.406 23.058 ( -0.591 0.000 -2.468) 2.538 23.207 ( -0.007 0.000 1.803) 1.803 23.239 ( -0.544 0.000 -1.149) 1.271 23.450 ( 1.771 0.000 -0.389) 1.813 23.451 ( -1.403 0.000 -0.666) 1.553 23.716 ( 1.581 0.000 0.253) 1.601 23.722 ( -1.453 0.000 -0.324) 1.488 23.825 ( 0.013 0.000 2.078) 2.078 23.866 ( -0.138 0.000 -2.079) 2.084 23.963 ( 1.125 0.000 3.201) 3.393 24.025 ( -2.069 0.000 -3.064) 3.697 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 2.792 0.000 -1.625) 3.230 0.962 ( 14.715 0.000 7.507) 16.519 1.043 ( 3.539 0.000 8.329) 9.049 1.091 ( 8.812 0.000 6.452) 10.922 1.247 ( 8.674 0.000 -5.081) 10.052 1.407 ( 9.917 0.000 -5.453) 11.317 1.573 ( 4.202 0.000 0.537) 4.236 1.621 ( 6.353 0.000 -6.642) 9.192 1.739 ( 3.529 0.000 -0.492) 3.563 1.753 ( 2.973 0.000 0.529) 3.020 1.823 ( 1.264 0.000 3.343) 3.574 1.866 ( 2.262 0.000 -4.986) 5.475 1.966 ( -1.562 0.000 2.965) 3.351 1.987 ( -5.982 0.000 1.177) 6.097 2.017 ( 2.272 0.000 2.577) 3.435 2.072 ( -0.767 0.000 -3.169) 3.260 2.104 ( 3.310 0.000 -3.804) 5.042 2.115 ( -2.259 0.000 1.797) 2.886 2.178 ( 3.176 0.000 -4.985) 5.910 2.208 ( 3.747 0.000 8.020) 8.853 2.266 ( -2.585 0.000 -9.339) 9.691 2.271 ( 3.876 0.000 1.752) 4.254 2.302 ( 1.221 0.000 1.059) 1.616 2.304 ( 4.345 0.000 3.876) 5.822 2.401 ( 0.795 0.000 -4.239) 4.313 2.468 ( -2.347 0.000 4.958) 5.485 2.519 ( -2.357 0.000 5.683) 6.152 2.543 ( 0.394 0.000 1.928) 1.968 2.609 ( 1.880 0.000 0.899) 2.084 2.611 ( -4.157 0.000 -4.788) 6.341 2.671 ( 2.842 0.000 -1.459) 3.194 2.696 ( 2.275 0.000 5.592) 6.037 2.730 ( 0.287 0.000 2.754) 2.769 2.768 ( 1.777 0.000 -1.332) 2.221 2.828 ( -3.558 0.000 0.211) 3.565 2.930 ( 1.907 0.000 3.219) 3.741 2.994 ( -1.448 0.000 -8.339) 8.464 3.111 ( -0.224 0.000 4.276) 4.282 3.198 ( -1.630 0.000 -1.486) 2.206 3.261 ( 0.195 0.000 7.095) 7.097 3.280 ( 3.247 0.000 -6.100) 6.910 3.344 ( -3.363 0.000 -0.740) 3.444 3.366 ( -10.954 0.000 -2.755) 11.295 3.385 ( -3.101 0.000 3.077) 4.369 3.394 ( -4.966 0.000 1.103) 5.087 3.498 ( -0.191 0.000 -0.101) 0.216 3.579 ( -0.177 0.000 1.493) 1.503 3.687 ( -5.538 0.000 -0.629) 5.573 3.745 ( 1.063 0.000 -2.734) 2.933 3.843 ( -0.693 0.000 -0.560) 0.891 3.906 ( -5.364 0.000 0.953) 5.448 3.913 ( -5.532 0.000 1.729) 5.796 4.235 ( -4.300 0.000 -2.089) 4.780 4.275 ( 0.485 0.000 4.431) 4.457 4.280 ( -0.159 0.000 -6.356) 6.358 4.423 ( 5.508 0.000 -1.400) 5.684 4.661 ( -7.784 0.000 -1.243) 7.883 4.674 ( -1.383 0.000 0.216) 1.399 4.721 ( 0.729 0.000 1.324) 1.511 4.895 ( 2.162 0.000 3.021) 3.715 4.997 ( -9.059 0.000 2.243) 9.333 5.275 ( -12.732 0.000 0.143) 12.733 5.323 ( 1.938 0.000 -5.704) 6.024 5.349 ( -3.569 0.000 4.183) 5.499 5.459 ( -1.620 0.000 3.335) 3.708 5.489 ( -2.732 0.000 4.038) 4.875 5.505 ( 10.651 0.000 -5.602) 12.035 5.568 ( 0.389 0.000 -5.717) 5.730 5.608 ( 4.130 0.000 0.147) 4.132 5.690 ( 2.801 0.000 -2.291) 3.619 5.949 ( 2.276 0.000 0.667) 2.372 6.016 ( 3.443 0.000 0.535) 3.485 6.121 ( -3.550 0.000 4.231) 5.522 6.154 ( 0.746 0.000 2.215) 2.337 6.175 ( 1.207 0.000 0.670) 1.381 6.254 ( -3.701 0.000 1.000) 3.834 6.330 ( -7.632 0.000 -2.956) 8.184 6.401 ( 0.568 0.000 0.242) 0.617 6.686 ( 3.163 0.000 1.753) 3.616 6.705 ( -0.092 0.000 -5.609) 5.609 6.763 ( -1.360 0.000 6.271) 6.417 6.899 ( 3.993 0.000 -8.236) 9.153 7.265 ( -5.288 0.000 3.816) 6.521 7.463 ( 3.793 0.000 1.429) 4.053 8.600 ( -2.491 0.000 6.191) 6.674 8.640 ( 2.752 0.000 -4.130) 4.962 8.655 ( 1.664 0.000 4.080) 4.407 8.706 ( 0.865 0.000 0.034) 0.866 8.746 ( 0.761 0.000 5.993) 6.041 8.753 ( 0.809 0.000 -2.968) 3.077 8.896 ( 4.338 0.000 2.799) 5.163 8.909 ( 2.109 0.000 -5.200) 5.612 9.112 ( -3.757 0.000 0.317) 3.771 9.167 ( 0.399 0.000 -7.246) 7.257 9.190 ( -0.837 0.000 5.772) 5.832 9.358 ( 3.462 0.000 -5.850) 6.798 9.414 ( -4.517 0.000 2.885) 5.360 9.483 ( -1.647 0.000 -7.359) 7.541 9.492 ( -0.656 0.000 7.814) 7.842 9.665 ( 3.500 0.000 -6.076) 7.013 9.719 ( -5.360 0.000 2.410) 5.877 9.793 ( -1.112 0.000 -3.157) 3.348 9.851 ( 0.518 0.000 -2.777) 2.825 9.858 ( 1.428 0.000 5.096) 5.292 9.970 ( 2.653 0.000 -4.905) 5.576 9.980 ( 2.530 0.000 0.222) 2.540 10.136 ( -5.525 0.000 1.160) 5.646 10.202 ( -7.392 0.000 1.732) 7.592 10.253 ( -2.863 0.000 0.775) 2.966 10.290 ( -0.130 0.000 0.138) 0.189 10.494 ( 1.386 0.000 -1.765) 2.244 10.578 ( 1.080 0.000 0.637) 1.254 10.590 ( 3.365 0.000 6.128) 6.991 10.706 ( 10.547 0.000 2.083) 10.751 10.966 ( 1.471 0.000 0.799) 1.674 10.967 ( 1.320 0.000 0.091) 1.323 11.255 ( -5.922 0.000 -2.514) 6.433 11.362 ( -1.145 0.000 1.968) 2.276 11.398 ( -5.917 0.000 -6.979) 9.150 11.544 ( 4.904 0.000 6.695) 8.299 12.044 ( -0.670 0.000 -1.462) 1.608 12.075 ( 0.669 0.000 1.433) 1.581 12.236 ( -2.741 0.000 1.033) 2.929 12.409 ( 6.065 0.000 -1.047) 6.155 12.874 ( -1.167 0.000 5.091) 5.223 12.964 ( 0.719 0.000 -6.126) 6.168 13.006 ( 0.074 0.000 3.043) 3.044 13.043 ( 2.105 0.000 -0.692) 2.216 13.457 ( -0.837 0.000 0.049) 0.838 13.493 ( 0.819 0.000 0.306) 0.874 13.645 ( -2.380 0.000 -3.513) 4.243 13.728 ( 3.008 0.000 4.193) 5.161 14.016 ( -4.768 0.000 0.796) 4.834 14.095 ( -0.578 0.000 -0.637) 0.860 14.179 ( -8.412 0.000 -0.648) 8.437 14.370 ( 1.650 0.000 -2.889) 3.327 15.004 ( 0.107 0.000 -3.346) 3.348 15.053 ( -1.604 0.000 4.539) 4.814 15.066 ( -0.886 0.000 -5.069) 5.145 15.112 ( 4.788 0.000 1.651) 5.064 15.230 ( -1.532 0.000 0.994) 1.826 15.266 ( -3.098 0.000 -2.847) 4.208 15.271 ( -2.950 0.000 0.348) 2.970 15.449 ( 4.101 0.000 0.242) 4.108 19.437 ( 9.116 0.000 0.126) 9.117 19.501 ( 10.035 0.000 0.129) 10.036 19.658 ( 10.063 0.000 -0.991) 10.111 19.770 ( 12.876 0.000 5.433) 13.975 20.258 ( -0.637 0.000 2.582) 2.660 20.292 ( 1.152 0.000 -2.012) 2.319 20.603 ( -6.587 0.000 -6.693) 9.391 20.643 ( -1.756 0.000 10.013) 10.165 21.210 ( -1.121 0.000 1.866) 2.177 21.242 ( 0.503 0.000 -2.972) 3.015 21.578 ( -3.553 0.000 6.522) 7.427 21.590 ( -3.106 0.000 -5.988) 6.745 21.763 ( -2.773 0.000 2.637) 3.826 21.863 ( -1.924 0.000 -5.863) 6.171 22.041 ( 0.072 0.000 -1.216) 1.218 22.125 ( 4.262 0.000 -4.808) 6.425 22.131 ( 0.265 0.000 -1.250) 1.277 22.164 ( 3.817 0.000 1.187) 3.998 22.286 ( 0.227 0.000 -0.345) 0.413 22.387 ( 3.887 0.000 4.882) 6.241 22.551 ( 2.334 0.000 -0.188) 2.341 22.582 ( -0.878 0.000 -2.214) 2.382 22.752 ( -2.707 0.000 3.507) 4.431 22.842 ( 0.847 0.000 2.586) 2.721 23.051 ( 2.541 0.000 -2.345) 3.458 23.080 ( 1.956 0.000 -0.855) 2.135 23.228 ( -0.307 0.000 -1.012) 1.057 23.240 ( 2.991 0.000 2.324) 3.787 23.444 ( 0.999 0.000 -0.957) 1.383 23.497 ( 3.607 0.000 0.092) 3.608 23.672 ( -3.577 0.000 -0.124) 3.579 23.725 ( -0.658 0.000 -0.017) 0.658 23.829 ( -1.320 0.000 1.881) 2.298 23.847 ( -0.449 0.000 -1.271) 1.348 23.969 ( -2.083 0.000 -2.031) 2.909 23.993 ( -0.278 0.000 3.033) 3.046 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 13.678 0.000 5.075) 14.589 1.185 ( 12.744 0.000 -7.918) 15.003 1.198 ( 4.805 0.000 15.121) 15.866 1.299 ( 11.783 0.000 -2.909) 12.137 1.422 ( 8.580 0.000 0.163) 8.582 1.530 ( 5.613 0.000 0.999) 5.701 1.606 ( 2.438 0.000 -5.531) 6.044 1.738 ( 1.957 0.000 -2.546) 3.211 1.783 ( -0.385 0.000 0.673) 0.775 1.792 ( -10.154 0.000 -1.338) 10.241 1.804 ( 11.203 0.000 -6.539) 12.972 1.830 ( -8.272 0.000 1.141) 8.351 1.880 ( -2.950 0.000 1.324) 3.233 1.933 ( 2.894 0.000 1.355) 3.195 2.059 ( 4.125 0.000 -6.062) 7.333 2.083 ( 2.016 0.000 3.880) 4.372 2.183 ( 6.177 0.000 1.474) 6.350 2.197 ( 4.951 0.000 -7.006) 8.579 2.210 ( 9.058 0.000 3.486) 9.706 2.214 ( 1.775 0.000 -5.880) 6.142 2.257 ( -1.933 0.000 1.124) 2.236 2.348 ( 4.563 0.000 -0.159) 4.566 2.368 ( -0.815 0.000 -7.983) 8.024 2.429 ( 8.674 0.000 3.194) 9.244 2.442 ( 6.385 0.000 4.191) 7.637 2.457 ( -1.762 0.000 3.050) 3.522 2.524 ( -0.027 0.000 2.755) 2.755 2.533 ( -0.016 0.000 -3.312) 3.312 2.588 ( -3.870 0.000 8.820) 9.632 2.592 ( 2.477 0.000 4.952) 5.537 2.701 ( 1.761 0.000 -2.085) 2.729 2.728 ( -1.536 0.000 0.486) 1.611 2.788 ( 1.095 0.000 -0.264) 1.126 2.807 ( 1.279 0.000 1.114) 1.697 2.821 ( 2.624 0.000 4.832) 5.498 2.954 ( 1.099 0.000 0.282) 1.135 2.996 ( 6.954 0.000 -3.898) 7.972 3.115 ( -7.008 0.000 -4.921) 8.563 3.135 ( 1.963 0.000 0.639) 2.065 3.158 ( -9.137 0.000 4.541) 10.204 3.189 ( -6.106 0.000 -0.156) 6.108 3.291 ( -1.766 0.000 -2.904) 3.398 3.301 ( -4.805 0.000 0.386) 4.821 3.360 ( -3.014 0.000 5.514) 6.284 3.375 ( 4.266 0.000 -4.415) 6.140 3.479 ( -3.413 0.000 2.647) 4.320 3.535 ( -6.448 0.000 -3.895) 7.533 3.597 ( -0.106 0.000 3.708) 3.709 3.731 ( -4.667 0.000 1.306) 4.846 3.736 ( -7.186 0.000 -5.427) 9.005 3.814 ( -5.102 0.000 1.275) 5.259 3.825 ( -6.601 0.000 2.470) 7.048 4.147 ( -5.022 0.000 0.003) 5.022 4.246 ( 0.001 0.000 -3.858) 3.858 4.316 ( 0.600 0.000 5.260) 5.294 4.423 ( -3.704 0.000 -6.937) 7.864 4.570 ( -0.316 0.000 2.460) 2.480 4.646 ( -1.602 0.000 -1.829) 2.431 4.804 ( 7.524 0.000 -0.708) 7.557 4.884 ( -3.033 0.000 1.999) 3.633 5.009 ( 3.287 0.000 4.826) 5.839 5.085 ( -6.680 0.000 3.861) 7.716 5.216 ( -11.000 0.000 -0.119) 11.001 5.364 ( 5.096 0.000 -5.070) 7.189 5.415 ( -2.428 0.000 -1.357) 2.782 5.475 ( -0.277 0.000 2.418) 2.434 5.548 ( -0.424 0.000 1.654) 1.707 5.639 ( 6.385 0.000 -3.844) 7.453 5.660 ( -2.140 0.000 2.388) 3.207 5.689 ( -0.749 0.000 -0.866) 1.145 5.989 ( 1.015 0.000 -2.055) 2.292 6.040 ( -11.171 0.000 2.498) 11.447 6.066 ( -0.043 0.000 0.823) 0.824 6.099 ( -2.129 0.000 -0.664) 2.230 6.125 ( -4.944 0.000 1.973) 5.324 6.260 ( 1.375 0.000 1.826) 2.286 6.298 ( 5.993 0.000 1.069) 6.088 6.408 ( -0.086 0.000 -0.323) 0.334 6.653 ( -0.208 0.000 -7.428) 7.431 6.764 ( 2.733 0.000 0.523) 2.782 6.785 ( 0.431 0.000 4.385) 4.406 6.920 ( 4.407 0.000 -7.693) 8.866 7.232 ( 0.137 0.000 2.619) 2.622 7.510 ( -0.767 0.000 2.673) 2.781 8.618 ( -0.816 0.000 7.543) 7.587 8.667 ( -1.097 0.000 2.207) 2.464 8.677 ( 1.698 0.000 -1.144) 2.047 8.742 ( 5.720 0.000 -4.805) 7.470 8.776 ( 2.464 0.000 0.585) 2.533 8.804 ( -0.810 0.000 6.999) 7.046 8.913 ( 1.769 0.000 -3.670) 4.074 9.008 ( 4.747 0.000 3.777) 6.066 9.039 ( -5.418 0.000 1.958) 5.761 9.106 ( 0.362 0.000 -11.328) 11.334 9.166 ( -3.475 0.000 0.653) 3.535 9.362 ( 0.107 0.000 -7.534) 7.534 9.367 ( -1.506 0.000 1.270) 1.970 9.401 ( -2.143 0.000 -2.472) 3.271 9.519 ( -1.113 0.000 3.876) 4.033 9.642 ( -3.772 0.000 2.023) 4.280 9.665 ( 1.735 0.000 -7.008) 7.220 9.765 ( 0.660 0.000 -4.726) 4.772 9.869 ( 3.112 0.000 -2.531) 4.011 9.916 ( 0.283 0.000 5.446) 5.453 9.958 ( -0.412 0.000 -4.760) 4.778 9.965 ( -4.104 0.000 2.133) 4.626 10.077 ( -2.507 0.000 2.113) 3.279 10.138 ( -1.445 0.000 2.616) 2.988 10.257 ( -2.207 0.000 -0.261) 2.223 10.288 ( 3.849 0.000 2.356) 4.513 10.532 ( 3.140 0.000 -0.043) 3.140 10.570 ( -0.562 0.000 0.868) 1.034 10.706 ( 3.810 0.000 6.342) 7.399 10.873 ( -0.457 0.000 1.174) 1.259 10.986 ( 0.755 0.000 0.182) 0.776 11.006 ( 7.115 0.000 1.824) 7.345 11.206 ( 1.025 0.000 -5.150) 5.251 11.249 ( -3.984 0.000 -0.804) 4.065 11.332 ( -3.808 0.000 1.493) 4.090 11.643 ( 1.838 0.000 4.104) 4.497 12.037 ( 0.505 0.000 -0.312) 0.593 12.093 ( -0.192 0.000 2.184) 2.192 12.214 ( -0.724 0.000 2.542) 2.643 12.481 ( 3.239 0.000 -3.378) 4.680 12.867 ( -2.626 0.000 3.168) 4.115 12.922 ( -0.931 0.000 -5.334) 5.415 13.032 ( 0.734 0.000 3.360) 3.439 13.092 ( 2.616 0.000 0.666) 2.700 13.455 ( 0.277 0.000 0.840) 0.884 13.502 ( 0.105 0.000 -0.092) 0.139 13.605 ( -0.018 0.000 -1.875) 1.875 13.802 ( 1.469 0.000 4.062) 4.320 13.927 ( -4.996 0.000 -0.570) 5.029 14.035 ( -7.521 0.000 1.802) 7.734 14.050 ( -1.949 0.000 -4.769) 5.152 14.329 ( -2.086 0.000 -7.016) 7.319 15.025 ( 1.263 0.000 -2.568) 2.862 15.029 ( -3.316 0.000 3.142) 4.568 15.032 ( 2.412 0.000 -2.078) 3.184 15.141 ( -2.920 0.000 3.761) 4.761 15.213 ( -0.576 0.000 1.454) 1.564 15.246 ( -1.371 0.000 0.094) 1.375 15.261 ( 4.126 0.000 -1.192) 4.295 15.476 ( -0.255 0.000 -1.923) 1.940 19.667 ( 15.534 0.000 -0.578) 15.544 19.712 ( 12.267 0.000 0.873) 12.298 19.876 ( 14.018 0.000 -1.146) 14.065 19.987 ( 5.995 0.000 5.481) 8.122 20.260 ( -1.083 0.000 2.902) 3.098 20.323 ( 3.487 0.000 -1.378) 3.749 20.464 ( -4.929 0.000 -4.393) 6.602 20.624 ( -6.021 0.000 5.280) 8.008 21.208 ( -0.441 0.000 2.145) 2.190 21.242 ( 1.852 0.000 -2.916) 3.454 21.497 ( -3.629 0.000 -4.027) 5.421 21.518 ( -7.123 0.000 5.447) 8.967 21.732 ( -2.666 0.000 2.406) 3.591 21.813 ( 1.062 0.000 -5.477) 5.579 21.989 ( -1.913 0.000 -4.988) 5.343 22.081 ( -3.786 0.000 -0.001) 3.786 22.205 ( 0.587 0.000 1.628) 1.730 22.238 ( 9.397 0.000 -2.843) 9.818 22.365 ( 6.478 0.000 0.286) 6.484 22.475 ( 0.579 0.000 3.145) 3.197 22.543 ( 0.054 0.000 0.224) 0.230 22.609 ( 3.865 0.000 -1.151) 4.033 22.732 ( -1.311 0.000 1.852) 2.269 22.833 ( -3.099 0.000 0.715) 3.180 23.070 ( -1.604 0.000 -1.806) 2.416 23.106 ( 2.161 0.000 -1.079) 2.415 23.232 ( 2.337 0.000 1.261) 2.656 23.333 ( 5.030 0.000 1.931) 5.388 23.463 ( 1.619 0.000 -0.821) 1.815 23.564 ( 2.479 0.000 -0.159) 2.485 23.619 ( -1.306 0.000 1.684) 2.131 23.706 ( -0.782 0.000 -0.704) 1.052 23.805 ( -2.049 0.000 0.647) 2.149 23.839 ( -0.174 0.000 0.288) 0.336 23.928 ( -1.409 0.000 -1.302) 1.918 23.986 ( -2.156 0.000 1.298) 2.516 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 11.547 0.000 7.704) 13.881 1.330 ( -1.647 0.000 10.902) 11.026 1.353 ( 10.410 0.000 -10.110) 14.511 1.438 ( 8.367 0.000 -8.094) 11.641 1.456 ( 0.270 0.000 -2.057) 2.074 1.534 ( -13.787 0.000 -0.368) 13.792 1.621 ( 1.176 0.000 0.792) 1.418 1.633 ( -6.960 0.000 3.371) 7.733 1.675 ( 2.688 0.000 -1.401) 3.031 1.742 ( 3.414 0.000 -0.282) 3.425 1.774 ( -1.167 0.000 -0.233) 1.190 1.804 ( -1.735 0.000 -2.027) 2.668 1.970 ( -0.199 0.000 -0.779) 0.804 1.979 ( 2.739 0.000 -1.964) 3.371 2.120 ( -3.695 0.000 2.082) 4.241 2.151 ( 5.067 0.000 -4.273) 6.628 2.204 ( 0.454 0.000 -2.240) 2.285 2.229 ( 1.614 0.000 -0.791) 1.797 2.260 ( -1.676 0.000 -2.383) 2.913 2.262 ( 2.612 0.000 -2.188) 3.407 2.304 ( 12.381 0.000 -4.894) 13.313 2.343 ( 4.344 0.000 -0.641) 4.391 2.433 ( -1.592 0.000 4.507) 4.780 2.479 ( -6.956 0.000 3.876) 7.963 2.495 ( 2.714 0.000 2.448) 3.655 2.528 ( 1.140 0.000 -1.585) 1.953 2.545 ( -0.491 0.000 -0.425) 0.650 2.570 ( 4.868 0.000 1.739) 5.170 2.618 ( 2.379 0.000 4.003) 4.656 2.703 ( 1.421 0.000 2.470) 2.850 2.708 ( 2.071 0.000 -2.557) 3.291 2.718 ( -0.668 0.000 3.147) 3.217 2.774 ( 0.743 0.000 4.557) 4.617 2.831 ( 2.166 0.000 -1.360) 2.558 2.875 ( 1.502 0.000 10.817) 10.921 3.010 ( -1.185 0.000 0.101) 1.189 3.023 ( 2.949 0.000 1.344) 3.241 3.050 ( -7.618 0.000 -3.576) 8.416 3.086 ( -0.797 0.000 0.645) 1.025 3.106 ( 0.838 0.000 -0.006) 0.838 3.192 ( 4.444 0.000 -2.997) 5.360 3.235 ( -2.124 0.000 -1.153) 2.417 3.245 ( -0.450 0.000 -0.253) 0.516 3.293 ( -5.142 0.000 -9.211) 10.549 3.378 ( 2.026 0.000 3.632) 4.159 3.420 ( -4.660 0.000 5.187) 6.973 3.520 ( 3.147 0.000 -6.629) 7.338 3.554 ( -6.136 0.000 -2.310) 6.557 3.623 ( -5.403 0.000 5.288) 7.560 3.634 ( -2.507 0.000 2.250) 3.369 3.747 ( -0.417 0.000 -0.308) 0.518 3.758 ( -2.100 0.000 0.585) 2.180 4.065 ( -4.181 0.000 2.033) 4.649 4.199 ( -2.502 0.000 -6.494) 6.959 4.347 ( 1.496 0.000 -3.449) 3.759 4.351 ( -0.069 0.000 1.625) 1.627 4.598 ( 0.558 0.000 1.162) 1.289 4.612 ( -0.291 0.000 -1.419) 1.448 4.876 ( -1.035 0.000 3.935) 4.069 4.949 ( 9.582 0.000 -3.611) 10.240 4.960 ( -3.408 0.000 4.336) 5.515 5.028 ( -8.730 0.000 -0.809) 8.767 5.216 ( 7.249 0.000 6.218) 9.551 5.369 ( -1.491 0.000 -3.225) 3.553 5.406 ( 4.044 0.000 -2.336) 4.670 5.500 ( -7.573 0.000 2.258) 7.903 5.533 ( 5.828 0.000 -1.472) 6.011 5.563 ( -7.898 0.000 4.933) 9.312 5.675 ( -0.886 0.000 1.010) 1.344 5.730 ( 4.282 0.000 -2.423) 4.920 5.873 ( -7.519 0.000 2.989) 8.092 5.906 ( -2.808 0.000 -4.701) 5.476 6.057 ( -2.247 0.000 2.366) 3.263 6.090 ( 3.089 0.000 -2.354) 3.883 6.156 ( 2.623 0.000 1.304) 2.929 6.267 ( -1.486 0.000 -1.428) 2.061 6.401 ( -0.184 0.000 0.845) 0.865 6.402 ( 2.948 0.000 2.172) 3.661 6.634 ( 2.626 0.000 -3.326) 4.238 6.733 ( -5.163 0.000 -1.127) 5.285 6.841 ( 3.736 0.000 1.184) 3.919 6.939 ( 1.309 0.000 -5.188) 5.351 7.320 ( 7.555 0.000 1.494) 7.702 7.457 ( -6.954 0.000 2.226) 7.301 8.655 ( -0.507 0.000 6.582) 6.601 8.671 ( -0.268 0.000 2.958) 2.970 8.684 ( -0.068 0.000 0.126) 0.143 8.796 ( -3.532 0.000 4.327) 5.585 8.801 ( 3.708 0.000 -2.797) 4.644 8.828 ( 3.108 0.000 -5.229) 6.083 8.948 ( -5.982 0.000 2.605) 6.525 8.950 ( 5.050 0.000 -1.032) 5.154 9.030 ( -4.386 0.000 1.558) 4.654 9.061 ( 3.297 0.000 -10.994) 11.478 9.167 ( 2.823 0.000 1.745) 3.319 9.283 ( -1.783 0.000 -6.536) 6.775 9.363 ( 0.087 0.000 0.344) 0.355 9.380 ( -0.854 0.000 0.263) 0.894 9.516 ( -1.266 0.000 3.303) 3.537 9.627 ( -0.896 0.000 3.822) 3.926 9.637 ( -0.167 0.000 -6.027) 6.029 9.752 ( 1.745 0.000 -6.566) 6.794 9.863 ( -6.209 0.000 4.108) 7.445 9.906 ( 2.691 0.000 -3.839) 4.688 9.945 ( 3.097 0.000 -2.847) 4.207 9.953 ( -2.851 0.000 3.208) 4.292 10.080 ( 1.638 0.000 2.788) 3.233 10.136 ( -1.491 0.000 1.876) 2.396 10.243 ( 0.809 0.000 0.393) 0.899 10.317 ( -1.409 0.000 -1.774) 2.265 10.591 ( 2.916 0.000 1.359) 3.217 10.610 ( 2.715 0.000 2.512) 3.699 10.788 ( 1.902 0.000 3.804) 4.253 10.817 ( -2.493 0.000 1.517) 2.918 10.992 ( -0.408 0.000 0.463) 0.617 11.073 ( -5.527 0.000 -5.120) 7.534 11.143 ( 6.161 0.000 -0.671) 6.198 11.248 ( -6.068 0.000 0.008) 6.068 11.399 ( 10.426 0.000 6.465) 12.268 11.638 ( -4.156 0.000 -0.170) 4.159 12.057 ( 1.640 0.000 0.648) 1.764 12.093 ( -1.051 0.000 1.225) 1.614 12.254 ( 1.990 0.000 5.907) 6.233 12.471 ( -0.758 0.000 -6.193) 6.239 12.834 ( -2.595 0.000 2.046) 3.304 12.877 ( -0.340 0.000 -3.945) 3.960 13.077 ( 1.857 0.000 3.173) 3.676 13.121 ( 0.136 0.000 0.640) 0.654 13.469 ( 0.282 0.000 1.345) 1.374 13.497 ( -0.321 0.000 -0.457) 0.559 13.629 ( 3.517 0.000 -0.285) 3.529 13.757 ( -5.704 0.000 -2.941) 6.418 13.895 ( -1.511 0.000 3.581) 3.887 13.976 ( -1.145 0.000 6.368) 6.471 13.991 ( -0.298 0.000 -6.074) 6.082 14.233 ( -2.355 0.000 -9.281) 9.575 14.992 ( -2.825 0.000 2.572) 3.820 15.014 ( 1.372 0.000 -2.643) 2.978 15.105 ( 3.623 0.000 1.471) 3.910 15.114 ( -2.377 0.000 3.750) 4.440 15.222 ( 0.105 0.000 0.588) 0.597 15.265 ( 2.580 0.000 3.835) 4.622 15.299 ( 1.476 0.000 -3.650) 3.937 15.425 ( -3.301 0.000 -3.254) 4.636 19.883 ( 4.998 0.000 1.357) 5.179 19.894 ( 8.873 0.000 -1.397) 8.982 20.057 ( -0.300 0.000 4.312) 4.322 20.088 ( 10.200 0.000 -2.390) 10.476 20.264 ( -0.172 0.000 3.960) 3.964 20.359 ( 0.568 0.000 -1.809) 1.896 20.392 ( -0.915 0.000 -0.375) 0.989 20.517 ( -7.146 0.000 -0.589) 7.170 21.224 ( 0.756 0.000 1.633) 1.799 21.262 ( 1.604 0.000 -2.184) 2.710 21.422 ( -6.626 0.000 4.329) 7.915 21.436 ( 0.166 0.000 -2.488) 2.493 21.705 ( -2.330 0.000 3.093) 3.872 21.809 ( 1.980 0.000 -6.527) 6.820 21.962 ( 2.132 0.000 -2.120) 3.007 22.010 ( -4.593 0.000 0.388) 4.609 22.234 ( 1.292 0.000 2.629) 2.929 22.341 ( 1.902 0.000 -3.912) 4.350 22.457 ( 2.015 0.000 1.379) 2.441 22.461 ( 1.734 0.000 -0.475) 1.798 22.597 ( 1.170 0.000 4.336) 4.491 22.633 ( -0.222 0.000 0.929) 0.955 22.766 ( 5.494 0.000 -3.073) 6.295 22.766 ( -4.194 0.000 0.705) 4.253 23.018 ( -3.069 0.000 -0.377) 3.092 23.080 ( -1.458 0.000 -3.903) 4.167 23.320 ( 3.551 0.000 4.320) 5.592 23.409 ( 2.480 0.000 -0.226) 2.490 23.491 ( 2.122 0.000 -0.207) 2.132 23.539 ( -2.255 0.000 -0.979) 2.458 23.665 ( 0.298 0.000 3.616) 3.628 23.700 ( 0.830 0.000 -1.034) 1.326 23.798 ( 2.821 0.000 -0.639) 2.893 23.834 ( -1.472 0.000 1.342) 1.992 23.901 ( -1.063 0.000 -0.258) 1.093 23.939 ( -2.880 0.000 -1.086) 3.078 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -11.315 0.000 7.656) 13.662 1.223 ( -15.978 0.000 3.804) 16.424 1.279 ( -5.098 0.000 -5.124) 7.228 1.358 ( -0.810 0.000 5.061) 5.125 1.567 ( 8.955 0.000 -9.058) 12.738 1.574 ( 7.850 0.000 -3.628) 8.648 1.608 ( 0.411 0.000 -1.699) 1.748 1.608 ( 3.170 0.000 1.786) 3.639 1.719 ( 0.837 0.000 3.175) 3.283 1.728 ( 0.236 0.000 -2.524) 2.535 1.771 ( -2.371 0.000 1.631) 2.877 1.899 ( 1.529 0.000 -8.162) 8.304 1.923 ( 1.136 0.000 2.732) 2.959 1.931 ( -2.190 0.000 -0.972) 2.396 2.073 ( -8.310 0.000 4.726) 9.560 2.129 ( -0.018 0.000 0.773) 0.773 2.149 ( -10.863 0.000 5.184) 12.036 2.218 ( -3.437 0.000 -0.159) 3.441 2.245 ( 1.661 0.000 0.178) 1.670 2.250 ( -4.687 0.000 -0.112) 4.689 2.259 ( -2.004 0.000 -3.241) 3.810 2.402 ( -6.727 0.000 -4.222) 7.942 2.419 ( 0.075 0.000 4.523) 4.524 2.472 ( 3.586 0.000 0.728) 3.659 2.513 ( -1.282 0.000 1.515) 1.984 2.541 ( 1.247 0.000 -0.973) 1.582 2.542 ( -1.861 0.000 3.880) 4.303 2.567 ( -2.541 0.000 -1.192) 2.806 2.683 ( -3.041 0.000 -1.352) 3.328 2.700 ( -1.953 0.000 -2.074) 2.849 2.721 ( 5.230 0.000 2.535) 5.811 2.743 ( 8.166 0.000 -2.936) 8.678 2.841 ( -6.240 0.000 0.568) 6.266 2.867 ( -9.092 0.000 -2.542) 9.441 2.906 ( 0.026 0.000 1.411) 1.411 2.945 ( 2.131 0.000 9.699) 9.931 3.004 ( 4.899 0.000 6.909) 8.470 3.026 ( -4.542 0.000 -0.053) 4.543 3.054 ( -4.993 0.000 -0.252) 5.000 3.146 ( -4.825 0.000 -5.669) 7.444 3.175 ( 6.920 0.000 3.371) 7.697 3.206 ( -0.246 0.000 -0.401) 0.470 3.245 ( 2.675 0.000 -7.003) 7.496 3.265 ( 1.813 0.000 -1.816) 2.567 3.399 ( -1.138 0.000 4.793) 4.926 3.443 ( -0.551 0.000 -1.515) 1.612 3.455 ( 4.567 0.000 5.046) 6.806 3.508 ( 2.364 0.000 -3.519) 4.240 3.653 ( 3.950 0.000 2.300) 4.571 3.719 ( 4.726 0.000 -3.806) 6.068 3.743 ( 4.907 0.000 -0.650) 4.949 3.807 ( 6.762 0.000 -3.424) 7.579 4.068 ( 2.239 0.000 5.553) 5.988 4.135 ( 1.056 0.000 -5.547) 5.647 4.322 ( -2.930 0.000 -0.092) 2.931 4.394 ( 4.576 0.000 -2.634) 5.280 4.591 ( -1.213 0.000 0.638) 1.370 4.619 ( 0.881 0.000 -0.912) 1.268 4.860 ( -4.565 0.000 5.177) 6.902 4.917 ( -2.339 0.000 -1.355) 2.703 5.002 ( 5.970 0.000 1.806) 6.237 5.081 ( 8.529 0.000 -6.392) 10.659 5.276 ( -8.908 0.000 -0.188) 8.910 5.308 ( 1.088 0.000 4.304) 4.439 5.361 ( -7.848 0.000 1.791) 8.049 5.499 ( -1.185 0.000 1.104) 1.620 5.521 ( 7.422 0.000 0.041) 7.422 5.635 ( -3.724 0.000 2.050) 4.251 5.661 ( 7.510 0.000 -0.464) 7.525 5.730 ( -0.139 0.000 -3.864) 3.866 5.840 ( 1.592 0.000 1.376) 2.104 5.938 ( 7.808 0.000 -2.587) 8.225 6.041 ( -0.880 0.000 2.465) 2.617 6.123 ( 2.525 0.000 -4.116) 4.828 6.201 ( -3.337 0.000 -2.378) 4.097 6.209 ( 1.289 0.000 3.339) 3.579 6.414 ( 0.432 0.000 0.871) 0.972 6.420 ( -0.380 0.000 -0.419) 0.566 6.607 ( -7.445 0.000 -1.586) 7.612 6.685 ( 1.663 0.000 3.808) 4.155 6.901 ( -1.212 0.000 -4.490) 4.651 6.908 ( 2.831 0.000 -2.047) 3.493 7.323 ( -8.132 0.000 1.453) 8.261 7.460 ( 6.071 0.000 1.660) 6.294 8.670 ( -3.933 0.000 7.289) 8.282 8.681 ( -0.053 0.000 -0.380) 0.384 8.684 ( 0.407 0.000 0.399) 0.570 8.760 ( -3.256 0.000 4.252) 5.355 8.816 ( 0.599 0.000 -4.151) 4.194 8.854 ( 4.291 0.000 -3.790) 5.725 8.891 ( -2.257 0.000 3.415) 4.093 8.953 ( -4.573 0.000 1.509) 4.816 9.039 ( 6.383 0.000 -5.359) 8.334 9.086 ( 5.246 0.000 -5.541) 7.630 9.213 ( 0.846 0.000 1.297) 1.549 9.228 ( -0.635 0.000 -5.246) 5.284 9.368 ( -0.141 0.000 0.986) 0.996 9.369 ( -0.206 0.000 -0.384) 0.436 9.515 ( -2.696 0.000 6.433) 6.975 9.589 ( -1.032 0.000 -4.316) 4.437 9.641 ( -0.446 0.000 4.395) 4.418 9.731 ( 0.792 0.000 -6.757) 6.803 9.811 ( -2.702 0.000 4.663) 5.389 9.905 ( -2.975 0.000 1.602) 3.378 9.943 ( 4.687 0.000 -3.361) 5.768 10.001 ( 3.490 0.000 -1.618) 3.847 10.115 ( -0.530 0.000 -0.615) 0.812 10.148 ( 3.755 0.000 1.315) 3.978 10.256 ( -3.383 0.000 -1.205) 3.591 10.273 ( 1.024 0.000 2.322) 2.537 10.618 ( -2.462 0.000 -0.853) 2.606 10.634 ( 0.533 0.000 0.306) 0.615 10.820 ( 0.292 0.000 0.164) 0.335 10.832 ( 2.152 0.000 0.687) 2.259 10.990 ( -2.140 0.000 0.131) 2.144 10.991 ( -0.242 0.000 3.323) 3.332 11.140 ( -5.578 0.000 -0.660) 5.617 11.246 ( 6.176 0.000 0.316) 6.184 11.504 ( -8.915 0.000 -3.972) 9.760 11.593 ( 6.674 0.000 4.328) 7.955 12.076 ( -0.929 0.000 -0.587) 1.099 12.098 ( 2.271 0.000 0.534) 2.333 12.334 ( 1.518 0.000 7.442) 7.595 12.387 ( -3.376 0.000 -7.348) 8.087 12.812 ( -1.527 0.000 2.637) 3.047 12.872 ( 2.077 0.000 -2.112) 2.962 13.112 ( -0.973 0.000 -0.641) 1.165 13.125 ( 1.665 0.000 0.944) 1.914 13.482 ( 0.410 0.000 1.026) 1.105 13.492 ( 0.181 0.000 -0.651) 0.676 13.644 ( -4.652 0.000 -2.066) 5.090 13.712 ( 5.201 0.000 1.479) 5.408 13.886 ( -1.219 0.000 3.881) 4.068 13.970 ( 1.754 0.000 -4.518) 4.847 14.050 ( 2.615 0.000 8.897) 9.274 14.143 ( -0.609 0.000 -9.691) 9.710 14.968 ( -1.547 0.000 2.142) 2.642 15.039 ( 2.998 0.000 -2.279) 3.766 15.104 ( -1.627 0.000 2.101) 2.657 15.159 ( 2.428 0.000 -0.198) 2.437 15.240 ( 0.551 0.000 1.745) 1.831 15.263 ( -2.163 0.000 -3.972) 4.523 15.339 ( -3.199 0.000 -3.887) 5.034 15.350 ( 3.459 0.000 4.517) 5.689 19.868 ( -7.696 0.000 1.272) 7.800 19.913 ( -5.358 0.000 -1.682) 5.616 20.035 ( -6.457 0.000 2.867) 7.065 20.149 ( 1.103 0.000 -4.789) 4.914 20.314 ( 0.610 0.000 2.855) 2.920 20.320 ( -1.804 0.000 -1.854) 2.587 20.408 ( -3.533 0.000 -1.819) 3.974 20.463 ( 7.589 0.000 4.888) 9.027 21.231 ( -1.622 0.000 1.050) 1.932 21.259 ( 0.054 0.000 -1.930) 1.931 21.381 ( -0.172 0.000 3.316) 3.321 21.488 ( 6.687 0.000 -2.360) 7.091 21.694 ( -1.705 0.000 4.451) 4.767 21.800 ( 2.051 0.000 -6.152) 6.485 21.931 ( -4.515 0.000 1.037) 4.632 22.015 ( 3.811 0.000 -0.399) 3.832 22.264 ( -1.635 0.000 3.685) 4.031 22.291 ( -2.475 0.000 -3.058) 3.934 22.441 ( -2.566 0.000 1.435) 2.940 22.471 ( -3.183 0.000 -0.108) 3.185 22.618 ( -1.557 0.000 2.453) 2.906 22.657 ( 1.644 0.000 -0.865) 1.857 22.731 ( 0.874 0.000 -0.099) 0.879 22.829 ( 4.069 0.000 -6.258) 7.465 22.993 ( -0.215 0.000 4.744) 4.749 23.049 ( 0.682 0.000 -2.542) 2.632 23.372 ( -0.570 0.000 3.099) 3.151 23.402 ( -2.051 0.000 -3.575) 4.122 23.497 ( -1.820 0.000 -1.043) 2.098 23.534 ( 2.599 0.000 -0.115) 2.601 23.664 ( -1.364 0.000 3.002) 3.297 23.713 ( 0.225 0.000 -1.307) 1.326 23.792 ( -2.638 0.000 0.171) 2.643 23.851 ( 0.425 0.000 -0.340) 0.544 23.903 ( -0.279 0.000 -0.629) 0.688 23.920 ( 4.466 0.000 0.825) 4.541 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -18.257 0.000 -1.509) 18.320 0.956 ( -16.773 0.000 11.597) 20.392 1.166 ( -5.554 0.000 0.220) 5.559 1.405 ( 0.733 0.000 1.303) 1.495 1.499 ( -3.786 0.000 -9.039) 9.800 1.554 ( -24.658 0.000 11.599) 27.250 1.599 ( -7.869 0.000 -4.821) 9.229 1.616 ( 0.962 0.000 1.549) 1.823 1.698 ( -5.497 0.000 1.852) 5.801 1.753 ( 5.596 0.000 1.679) 5.843 1.785 ( 6.233 0.000 -1.245) 6.356 1.826 ( 2.802 0.000 -1.702) 3.278 1.895 ( 3.932 0.000 1.347) 4.156 1.997 ( 0.585 0.000 0.774) 0.971 1.997 ( 0.991 0.000 -3.318) 3.463 2.112 ( -7.073 0.000 1.198) 7.174 2.136 ( -3.930 0.000 2.014) 4.416 2.159 ( -4.445 0.000 -0.679) 4.497 2.188 ( 1.039 0.000 3.366) 3.523 2.230 ( 1.380 0.000 4.193) 4.414 2.258 ( 0.802 0.000 -0.358) 0.878 2.269 ( -4.653 0.000 -4.536) 6.498 2.344 ( -6.713 0.000 1.001) 6.787 2.453 ( -6.338 0.000 1.594) 6.535 2.457 ( -4.280 0.000 -1.505) 4.537 2.501 ( -2.954 0.000 -0.152) 2.958 2.547 ( 1.975 0.000 -0.516) 2.042 2.564 ( -1.434 0.000 -3.602) 3.877 2.646 ( 2.985 0.000 2.400) 3.830 2.653 ( -2.464 0.000 1.753) 3.023 2.671 ( -6.625 0.000 -2.102) 6.951 2.775 ( -0.904 0.000 -1.890) 2.095 2.801 ( -3.444 0.000 1.229) 3.657 2.810 ( -1.140 0.000 -2.653) 2.888 2.864 ( -5.221 0.000 -0.928) 5.303 2.924 ( -2.181 0.000 2.133) 3.051 2.992 ( -0.437 0.000 -0.768) 0.884 3.036 ( -0.902 0.000 0.531) 1.047 3.060 ( 2.486 0.000 8.727) 9.074 3.149 ( 4.702 0.000 3.851) 6.078 3.210 ( -0.988 0.000 4.264) 4.377 3.280 ( 7.457 0.000 -6.059) 9.609 3.296 ( 4.159 0.000 0.931) 4.262 3.316 ( 4.426 0.000 0.893) 4.515 3.456 ( 4.000 0.000 2.199) 4.565 3.464 ( 4.517 0.000 -5.124) 6.831 3.545 ( 4.064 0.000 -2.102) 4.575 3.629 ( 7.574 0.000 4.976) 9.062 3.678 ( -1.121 0.000 -3.952) 4.108 3.734 ( 2.516 0.000 2.354) 3.446 3.890 ( 5.646 0.000 -6.297) 8.457 3.893 ( 9.015 0.000 -4.030) 9.875 4.157 ( 3.194 0.000 -1.943) 3.739 4.160 ( 0.673 0.000 4.731) 4.779 4.319 ( 3.929 0.000 3.957) 5.576 4.428 ( 1.915 0.000 -6.086) 6.381 4.617 ( 4.141 0.000 1.457) 4.390 4.618 ( 0.992 0.000 -2.443) 2.637 4.800 ( -3.356 0.000 0.112) 3.358 4.917 ( 3.276 0.000 -2.038) 3.858 5.093 ( -7.540 0.000 -3.163) 8.176 5.171 ( 10.211 0.000 3.668) 10.850 5.194 ( 7.754 0.000 -6.581) 10.170 5.255 ( -6.432 0.000 5.532) 8.484 5.366 ( 2.602 0.000 3.764) 4.575 5.516 ( 2.523 0.000 -1.748) 3.069 5.527 ( -7.949 0.000 4.225) 9.002 5.584 ( -2.595 0.000 1.690) 3.096 5.709 ( 0.017 0.000 -2.932) 2.932 5.739 ( 1.505 0.000 -6.118) 6.300 5.944 ( 5.009 0.000 3.440) 6.077 6.071 ( 4.907 0.000 1.199) 5.051 6.085 ( 6.289 0.000 -1.830) 6.550 6.119 ( 2.617 0.000 -3.870) 4.672 6.168 ( 2.137 0.000 -1.764) 2.771 6.227 ( -1.819 0.000 4.036) 4.427 6.361 ( -6.847 0.000 -4.969) 8.460 6.423 ( 1.304 0.000 -0.520) 1.404 6.532 ( 0.167 0.000 4.142) 4.145 6.714 ( -1.950 0.000 5.786) 6.106 6.855 ( -7.001 0.000 -1.507) 7.161 6.867 ( 0.895 0.000 -4.068) 4.165 7.266 ( 1.789 0.000 -0.864) 1.986 7.527 ( 0.333 0.000 0.820) 0.885 8.615 ( -6.010 0.000 5.092) 7.878 8.683 ( 0.779 0.000 -1.102) 1.350 8.683 ( -0.874 0.000 1.057) 1.371 8.737 ( -2.979 0.000 4.054) 5.031 8.803 ( 2.186 0.000 -7.491) 7.803 8.888 ( -1.946 0.000 0.314) 1.971 8.902 ( 3.289 0.000 -3.182) 4.576 8.928 ( 0.803 0.000 6.282) 6.333 9.073 ( -2.318 0.000 -3.305) 4.037 9.115 ( 1.688 0.000 -5.900) 6.137 9.223 ( -1.316 0.000 4.459) 4.649 9.224 ( 6.665 0.000 -6.169) 9.082 9.365 ( -1.536 0.000 2.508) 2.941 9.377 ( 1.529 0.000 0.018) 1.529 9.511 ( -2.951 0.000 8.516) 9.012 9.570 ( 1.532 0.000 -1.636) 2.242 9.673 ( 0.783 0.000 4.332) 4.402 9.708 ( 1.790 0.000 -5.371) 5.662 9.806 ( -1.527 0.000 3.653) 3.959 9.901 ( 1.406 0.000 1.017) 1.735 9.998 ( 0.526 0.000 -2.632) 2.684 10.009 ( 1.552 0.000 -2.257) 2.739 10.137 ( 3.728 0.000 -3.175) 4.897 10.178 ( -0.639 0.000 -1.263) 1.415 10.246 ( 3.278 0.000 0.860) 3.389 10.298 ( -0.188 0.000 1.956) 1.965 10.548 ( -4.071 0.000 -1.373) 4.297 10.608 ( -1.031 0.000 -2.830) 3.012 10.791 ( -2.886 0.000 -2.219) 3.641 10.875 ( -0.762 0.000 1.365) 1.563 10.973 ( -1.030 0.000 1.332) 1.684 11.021 ( 0.134 0.000 1.237) 1.245 11.070 ( -1.373 0.000 4.512) 4.716 11.328 ( -5.189 0.000 -5.546) 7.595 11.346 ( 4.371 0.000 0.105) 4.372 11.674 ( 0.710 0.000 0.947) 1.183 12.060 ( 0.079 0.000 -1.925) 1.926 12.129 ( 1.080 0.000 -1.099) 1.540 12.288 ( -2.269 0.000 -5.310) 5.775 12.383 ( -1.277 0.000 6.500) 6.624 12.816 ( -0.985 0.000 5.062) 5.157 12.913 ( 3.519 0.000 -1.695) 3.905 13.086 ( -0.862 0.000 -1.982) 2.161 13.122 ( -2.186 0.000 -2.492) 3.315 13.479 ( -1.139 0.000 -1.436) 1.833 13.495 ( 0.208 0.000 0.678) 0.710 13.595 ( 0.295 0.000 -0.589) 0.659 13.810 ( 3.733 0.000 2.011) 4.240 13.925 ( 2.043 0.000 7.239) 7.522 13.975 ( 1.552 0.000 -4.308) 4.579 14.112 ( 4.070 0.000 -6.434) 7.613 14.164 ( 3.523 0.000 9.366) 10.007 14.962 ( -0.942 0.000 2.494) 2.666 15.044 ( -5.530 0.000 -1.620) 5.762 15.078 ( 2.582 0.000 -1.887) 3.198 15.199 ( 2.594 0.000 -0.910) 2.749 15.226 ( -0.203 0.000 -0.080) 0.218 15.244 ( -0.666 0.000 -0.614) 0.906 15.275 ( -1.071 0.000 -3.082) 3.263 15.425 ( 1.812 0.000 3.444) 3.891 19.665 ( -14.032 0.000 -0.173) 14.034 19.727 ( -13.408 0.000 -0.712) 13.427 19.858 ( -13.449 0.000 0.733) 13.469 20.108 ( -2.536 0.000 -6.706) 7.169 20.294 ( -3.722 0.000 1.240) 3.923 20.311 ( 0.902 0.000 -1.816) 2.028 20.384 ( 0.800 0.000 2.937) 3.044 20.664 ( 11.592 0.000 2.651) 11.891 21.199 ( -2.170 0.000 1.101) 2.433 21.253 ( 0.842 0.000 -2.350) 2.497 21.426 ( 1.584 0.000 2.908) 3.311 21.604 ( 7.874 0.000 -3.129) 8.473 21.700 ( -1.151 0.000 5.846) 5.958 21.805 ( 2.513 0.000 -5.003) 5.599 21.892 ( -1.174 0.000 4.465) 4.617 22.067 ( 1.955 0.000 0.765) 2.100 22.188 ( -8.056 0.000 2.170) 8.343 22.245 ( -0.734 0.000 -2.167) 2.288 22.371 ( -7.123 0.000 -0.180) 7.125 22.456 ( 2.162 0.000 2.283) 3.144 22.574 ( -3.506 0.000 1.540) 3.829 22.626 ( -3.085 0.000 -4.963) 5.844 22.778 ( 3.753 0.000 -1.957) 4.232 22.854 ( 3.073 0.000 -2.589) 4.018 23.051 ( 1.530 0.000 4.780) 5.018 23.063 ( 1.530 0.000 -0.654) 1.664 23.298 ( -5.891 0.000 -5.467) 8.037 23.345 ( -3.571 0.000 0.721) 3.643 23.462 ( -1.425 0.000 -0.727) 1.600 23.560 ( -0.831 0.000 0.057) 0.833 23.660 ( -1.559 0.000 -2.306) 2.784 23.676 ( 0.694 0.000 2.676) 2.765 23.812 ( 3.223 0.000 0.003) 3.223 23.837 ( -1.342 0.000 0.530) 1.443 23.907 ( 0.488 0.000 0.634) 0.800 24.010 ( 4.719 0.000 -0.844) 4.794 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -12.711 0.000 1.254) 12.773 0.781 ( -12.628 0.000 15.647) 20.107 1.085 ( -5.960 0.000 0.677) 5.999 1.253 ( -13.580 0.000 -8.941) 16.259 1.265 ( -16.653 0.000 22.184) 27.739 1.383 ( -1.322 0.000 -12.591) 12.660 1.521 ( 0.606 0.000 3.276) 3.331 1.525 ( -3.602 0.000 -8.860) 9.564 1.717 ( 0.687 0.000 2.894) 2.974 1.758 ( -3.888 0.000 -0.946) 4.002 1.814 ( -0.917 0.000 4.363) 4.459 1.910 ( -0.836 0.000 -1.385) 1.618 1.963 ( -3.384 0.000 2.372) 4.132 1.994 ( 5.225 0.000 -3.405) 6.237 1.995 ( 3.239 0.000 4.938) 5.905 2.049 ( -1.640 0.000 1.803) 2.437 2.079 ( -3.265 0.000 4.123) 5.259 2.090 ( -2.733 0.000 -2.535) 3.728 2.145 ( -1.292 0.000 -0.722) 1.480 2.171 ( -1.711 0.000 -1.747) 2.445 2.251 ( -4.751 0.000 0.036) 4.751 2.316 ( 2.647 0.000 -1.796) 3.199 2.321 ( -0.243 0.000 2.815) 2.825 2.357 ( 1.520 0.000 -2.039) 2.543 2.411 ( -1.819 0.000 -1.883) 2.618 2.498 ( 0.616 0.000 4.880) 4.919 2.519 ( 0.448 0.000 -2.227) 2.272 2.566 ( 0.921 0.000 -2.886) 3.030 2.569 ( -5.370 0.000 2.196) 5.801 2.630 ( -1.834 0.000 2.574) 3.161 2.655 ( -5.323 0.000 -3.752) 6.513 2.743 ( -1.295 0.000 -0.345) 1.340 2.756 ( 1.654 0.000 4.811) 5.087 2.763 ( 1.254 0.000 -2.243) 2.570 2.853 ( -3.680 0.000 2.374) 4.380 2.927 ( 3.840 0.000 -6.284) 7.365 2.932 ( -1.550 0.000 2.450) 2.899 3.104 ( 1.194 0.000 7.048) 7.148 3.142 ( 1.756 0.000 3.769) 4.158 3.194 ( -1.239 0.000 0.651) 1.399 3.244 ( 1.572 0.000 4.077) 4.369 3.364 ( 4.008 0.000 -3.920) 5.607 3.401 ( 8.319 0.000 -3.810) 9.150 3.401 ( 5.158 0.000 0.559) 5.188 3.490 ( -1.441 0.000 1.724) 2.247 3.500 ( 3.116 0.000 -5.294) 6.143 3.612 ( -1.183 0.000 -2.243) 2.536 3.658 ( 7.761 0.000 1.887) 7.987 3.747 ( -2.288 0.000 -0.717) 2.397 3.788 ( 4.663 0.000 3.502) 5.832 3.929 ( 2.730 0.000 -2.656) 3.809 3.977 ( 3.031 0.000 -3.420) 4.569 4.166 ( -0.794 0.000 4.245) 4.319 4.211 ( 4.291 0.000 -0.406) 4.310 4.397 ( -0.113 0.000 -7.148) 7.149 4.412 ( 0.278 0.000 0.957) 0.996 4.669 ( 6.936 0.000 -1.885) 7.188 4.699 ( 3.319 0.000 -2.319) 4.049 4.767 ( 1.128 0.000 -3.237) 3.428 4.953 ( -4.532 0.000 -2.783) 5.318 5.020 ( 8.320 0.000 -0.257) 8.324 5.220 ( 0.505 0.000 3.964) 3.996 5.322 ( 9.119 0.000 -3.399) 9.731 5.340 ( -3.366 0.000 5.831) 6.733 5.386 ( 2.093 0.000 5.574) 5.954 5.477 ( -0.344 0.000 0.545) 0.644 5.522 ( -1.702 0.000 0.052) 1.703 5.546 ( 1.758 0.000 -1.441) 2.273 5.649 ( -6.544 0.000 -3.898) 7.617 5.687 ( -0.606 0.000 -2.726) 2.793 5.968 ( -1.082 0.000 -0.734) 1.308 6.031 ( -4.725 0.000 -0.866) 4.804 6.190 ( 1.911 0.000 -0.371) 1.946 6.195 ( -2.249 0.000 -3.377) 4.057 6.199 ( 0.435 0.000 -2.304) 2.345 6.216 ( -1.960 0.000 4.306) 4.731 6.286 ( 8.538 0.000 0.553) 8.556 6.447 ( 2.139 0.000 -2.277) 3.124 6.593 ( 1.662 0.000 5.370) 5.621 6.701 ( -0.558 0.000 0.309) 0.638 6.749 ( -4.926 0.000 5.680) 7.518 6.880 ( 3.634 0.000 -5.588) 6.666 7.323 ( 4.754 0.000 -2.214) 5.245 7.476 ( -6.270 0.000 -0.073) 6.271 8.557 ( -3.281 0.000 4.342) 5.442 8.674 ( -2.835 0.000 5.073) 5.811 8.688 ( 0.838 0.000 -2.460) 2.599 8.703 ( -1.669 0.000 0.407) 1.718 8.780 ( 0.344 0.000 -9.183) 9.189 8.856 ( -1.589 0.000 0.338) 1.624 8.888 ( -2.931 0.000 -7.906) 8.432 8.949 ( -4.415 0.000 -2.329) 4.992 9.012 ( 2.927 0.000 7.581) 8.126 9.120 ( 2.004 0.000 -1.635) 2.587 9.229 ( -3.151 0.000 7.792) 8.405 9.313 ( 6.031 0.000 -6.675) 8.997 9.358 ( -1.084 0.000 4.575) 4.702 9.434 ( 4.888 0.000 0.950) 4.979 9.517 ( -3.092 0.000 8.520) 9.063 9.604 ( 3.087 0.000 -3.784) 4.884 9.719 ( 1.471 0.000 4.025) 4.286 9.755 ( 6.116 0.000 -1.508) 6.299 9.805 ( -0.984 0.000 2.752) 2.922 9.925 ( 0.286 0.000 -0.261) 0.388 9.944 ( -2.554 0.000 -3.107) 4.022 10.019 ( -0.223 0.000 -3.594) 3.601 10.175 ( 2.983 0.000 -2.542) 3.920 10.200 ( 3.533 0.000 1.078) 3.693 10.291 ( 0.823 0.000 -2.812) 2.930 10.308 ( 2.924 0.000 -1.230) 3.172 10.475 ( -3.237 0.000 0.158) 3.241 10.589 ( -1.538 0.000 -0.588) 1.646 10.701 ( -4.348 0.000 -4.052) 5.943 10.751 ( -9.938 0.000 -2.210) 10.180 10.959 ( -1.408 0.000 0.692) 1.569 10.978 ( -4.038 0.000 -0.471) 4.066 11.188 ( 8.770 0.000 5.714) 10.467 11.314 ( 3.725 0.000 -0.098) 3.726 11.388 ( 0.774 0.000 -0.757) 1.083 11.639 ( -3.468 0.000 -2.844) 4.486 12.052 ( 0.577 0.000 -2.148) 2.224 12.115 ( -1.162 0.000 -2.362) 2.632 12.261 ( 1.668 0.000 -1.707) 2.386 12.370 ( -4.068 0.000 3.322) 5.252 12.834 ( -1.703 0.000 6.848) 7.057 12.956 ( 2.875 0.000 -3.061) 4.199 13.026 ( -5.720 0.000 -0.013) 5.720 13.060 ( -0.485 0.000 -2.375) 2.424 13.461 ( 0.148 0.000 -0.304) 0.338 13.494 ( -0.644 0.000 0.188) 0.671 13.617 ( 2.077 0.000 -0.677) 2.184 13.816 ( -2.459 0.000 -3.668) 4.416 14.005 ( 3.879 0.000 0.025) 3.879 14.033 ( 3.439 0.000 6.271) 7.152 14.195 ( 7.320 0.000 -1.890) 7.560 14.281 ( 3.254 0.000 6.339) 7.126 14.950 ( -3.076 0.000 1.808) 3.568 14.976 ( 0.531 0.000 4.159) 4.193 15.089 ( -0.655 0.000 -0.524) 0.839 15.203 ( -1.279 0.000 -5.877) 6.015 15.227 ( 0.577 0.000 1.109) 1.251 15.240 ( 2.047 0.000 -0.120) 2.050 15.278 ( 1.872 0.000 -0.444) 1.924 15.446 ( -1.294 0.000 0.864) 1.556 19.450 ( -8.356 0.000 -1.067) 8.423 19.499 ( -10.892 0.000 0.301) 10.896 19.641 ( -10.113 0.000 0.737) 10.140 19.905 ( -14.914 0.000 -9.056) 17.448 20.251 ( -1.680 0.000 2.106) 2.695 20.307 ( 0.375 0.000 -2.366) 2.396 20.461 ( 3.338 0.000 7.310) 8.036 20.834 ( 6.747 0.000 -8.951) 11.209 21.187 ( 0.145 0.000 2.611) 2.615 21.254 ( 1.054 0.000 -2.560) 2.769 21.463 ( 0.429 0.000 6.758) 6.771 21.693 ( 4.175 0.000 -4.967) 6.488 21.747 ( 1.798 0.000 6.117) 6.376 21.825 ( 3.504 0.000 -3.663) 5.069 21.951 ( 2.619 0.000 8.653) 9.041 22.070 ( -4.794 0.000 0.209) 4.799 22.100 ( 1.076 0.000 1.544) 1.882 22.211 ( -5.007 0.000 -3.196) 5.940 22.263 ( -1.686 0.000 1.784) 2.455 22.482 ( -2.924 0.000 -2.881) 4.105 22.536 ( -1.377 0.000 0.100) 1.381 22.548 ( 0.247 0.000 -0.159) 0.294 22.813 ( 1.600 0.000 -2.000) 2.561 22.888 ( 0.762 0.000 -1.994) 2.134 23.029 ( -5.703 0.000 -0.113) 5.705 23.076 ( 0.128 0.000 -0.637) 0.650 23.202 ( -1.323 0.000 0.992) 1.654 23.278 ( -3.146 0.000 -1.167) 3.356 23.441 ( -0.360 0.000 -0.541) 0.650 23.502 ( -3.769 0.000 -0.569) 3.811 23.676 ( 2.767 0.000 -0.562) 2.823 23.715 ( 1.658 0.000 1.340) 2.132 23.820 ( -1.010 0.000 1.352) 1.688 23.862 ( 2.253 0.000 -1.276) 2.589 23.926 ( 0.830 0.000 2.070) 2.231 24.055 ( 1.587 0.000 -3.237) 3.605 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 9.384 1.826 6.249) 11.421 0.747 ( -10.478 3.204 0.400) 10.964 0.973 ( -5.394 0.046 7.564) 9.291 1.100 ( -1.254 6.840 4.810) 8.455 1.264 ( 3.420 -1.758 -9.580) 10.323 1.302 ( 0.167 3.241 -4.702) 5.713 1.466 ( 2.615 -0.975 7.829) 8.311 1.555 ( -0.509 -2.246 -0.078) 2.304 1.614 ( 2.722 -3.756 1.291) 4.815 1.666 ( -2.170 -4.924 -3.001) 6.161 1.799 ( -0.318 -0.196 1.442) 1.489 1.891 ( 0.764 1.043 -3.795) 4.009 1.994 ( -1.609 -1.591 0.577) 2.335 2.002 ( -0.656 3.478 5.514) 6.553 2.017 ( 1.568 -0.398 -2.486) 2.966 2.050 ( 0.324 0.810 3.319) 3.432 2.091 ( 3.387 -1.715 1.215) 3.986 2.130 ( -1.199 -0.620 -2.193) 2.575 2.172 ( 0.162 0.812 0.329) 0.891 2.187 ( 0.162 1.847 -0.538) 1.931 2.224 ( 3.176 2.197 2.447) 4.571 2.242 ( -3.325 -0.007 0.328) 3.341 2.335 ( -0.398 0.742 1.532) 1.748 2.389 ( 1.058 2.835 -2.395) 3.859 2.459 ( -0.614 0.829 0.816) 1.315 2.490 ( -0.314 -1.957 1.357) 2.402 2.527 ( -1.237 1.777 1.735) 2.775 2.539 ( -3.186 1.747 1.110) 3.799 2.569 ( -1.115 1.693 2.303) 3.068 2.610 ( -0.991 0.689 0.351) 1.257 2.682 ( 4.337 2.800 -1.955) 5.520 2.724 ( -0.856 0.490 1.845) 2.092 2.746 ( -2.741 -0.695 -5.403) 6.098 2.769 ( -0.573 2.282 -2.776) 3.639 2.839 ( 2.971 -1.731 4.047) 5.311 2.876 ( -3.537 -1.241 0.715) 3.816 2.988 ( 2.505 -4.297 4.649) 6.808 3.071 ( -0.232 -3.825 -3.256) 5.029 3.096 ( 0.568 -2.259 3.271) 4.016 3.183 ( 1.660 -2.921 -5.829) 6.728 3.325 ( -1.731 2.941 3.563) 4.934 3.405 ( -0.341 -1.331 1.790) 2.256 3.424 ( -3.087 0.995 -0.186) 3.249 3.462 ( 3.353 2.097 2.543) 4.702 3.490 ( -0.878 0.442 -3.392) 3.532 3.541 ( -0.157 1.947 -3.667) 4.155 3.640 ( -4.213 -0.030 0.045) 4.214 3.647 ( 2.437 0.116 -1.090) 2.672 3.791 ( 2.645 0.259 1.946) 3.294 3.817 ( -0.202 0.669 -0.139) 0.713 3.931 ( -0.446 -1.755 0.479) 1.873 3.948 ( -0.958 -2.324 -1.297) 2.829 4.225 ( 1.562 0.784 4.155) 4.508 4.308 ( 5.420 -0.332 1.017) 5.525 4.363 ( -3.243 2.335 -6.065) 7.263 4.370 ( -1.184 2.877 -5.180) 6.043 4.645 ( 2.621 -4.572 -0.615) 5.306 4.663 ( -3.584 -4.217 -2.330) 6.005 4.853 ( -2.380 2.650 0.861) 3.664 4.871 ( -0.242 3.074 -1.055) 3.259 5.167 ( -11.131 -1.259 5.539) 12.497 5.222 ( 11.141 -3.397 2.595) 11.933 5.259 ( 5.935 -2.839 -1.221) 6.692 5.309 ( -0.892 -6.342 -3.876) 7.487 5.402 ( -1.164 -4.127 1.523) 4.550 5.427 ( -1.936 -4.826 -1.575) 5.433 5.509 ( 0.939 0.514 2.835) 3.030 5.601 ( 1.359 2.256 -2.764) 3.818 5.609 ( -1.067 -2.232 -2.159) 3.283 5.636 ( 1.621 3.851 -1.904) 4.592 5.918 ( -1.310 -1.730 1.387) 2.575 5.955 ( -0.479 -0.680 -2.313) 2.458 6.075 ( -4.401 -6.080 3.447) 8.260 6.134 ( 4.460 -5.984 -2.609) 7.906 6.227 ( -4.958 3.981 2.666) 6.895 6.273 ( 4.360 3.341 -1.885) 5.807 6.427 ( -4.185 1.919 0.638) 4.648 6.443 ( 1.379 4.751 -0.738) 5.002 6.645 ( 1.051 -0.614 4.262) 4.433 6.708 ( 0.996 -1.156 -2.603) 3.017 6.828 ( -0.691 7.406 5.756) 9.405 6.947 ( 2.337 4.863 -6.047) 8.104 7.330 ( -4.784 -1.806 3.293) 6.082 7.379 ( 2.302 -1.190 -1.812) 3.162 8.570 ( 1.397 -0.254 4.097) 4.336 8.609 ( -2.818 -1.492 2.315) 3.941 8.675 ( -1.276 0.493 -1.590) 2.097 8.694 ( -0.778 -0.105 -1.940) 2.092 8.739 ( 0.535 1.356 2.238) 2.671 8.803 ( -1.750 0.558 -3.236) 3.721 8.833 ( -0.738 -0.167 0.525) 0.922 8.896 ( 2.095 -0.749 -4.817) 5.306 9.152 ( 0.435 2.821 2.306) 3.669 9.178 ( 2.386 1.762 -0.738) 3.056 9.232 ( -3.549 3.271 5.574) 7.373 9.321 ( 2.006 -1.757 0.801) 2.784 9.408 ( 0.783 0.153 0.949) 1.240 9.488 ( -1.018 -1.372 4.397) 4.717 9.500 ( 1.497 -1.153 -3.155) 3.678 9.571 ( 2.504 -4.789 -3.107) 6.233 9.763 ( -1.956 -0.622 2.508) 3.241 9.791 ( 1.303 0.191 1.607) 2.077 9.831 ( 3.576 -0.455 -0.562) 3.648 9.863 ( -0.666 -1.083 -2.140) 2.489 9.963 ( -2.244 1.909 -2.031) 3.579 9.986 ( 0.391 1.150 -3.686) 3.881 10.220 ( 1.790 -0.435 1.035) 2.113 10.233 ( 1.961 -0.254 -0.711) 2.102 10.320 ( -1.762 2.119 1.865) 3.327 10.349 ( -1.913 1.948 -1.120) 2.951 10.488 ( 3.463 1.299 -0.625) 3.751 10.504 ( -4.755 0.063 -1.541) 4.999 10.592 ( -5.324 -0.673 -0.183) 5.369 10.628 ( 0.998 -0.675 -2.971) 3.206 10.939 ( -0.552 -0.348 0.291) 0.714 10.945 ( 0.696 -0.139 -0.319) 0.778 11.331 ( 2.967 -0.793 2.244) 3.804 11.378 ( -2.091 1.278 -1.678) 2.970 11.383 ( 4.852 -1.511 6.515) 8.262 11.510 ( -4.974 -2.350 -5.675) 7.903 12.109 ( -0.150 4.372 -1.054) 4.500 12.117 ( -0.257 3.889 -1.624) 4.222 12.295 ( -4.232 0.063 1.086) 4.369 12.316 ( 3.884 0.196 -0.877) 3.987 12.858 ( -0.797 0.851 6.446) 6.550 12.948 ( 0.736 -1.800 -0.346) 1.975 13.007 ( 0.458 1.274 -0.458) 1.430 13.041 ( -0.269 0.109 -1.920) 1.941 13.497 ( 1.217 2.409 0.450) 2.736 13.519 ( -1.731 3.994 -2.193) 4.874 13.647 ( 2.582 -1.215 1.677) 3.309 13.714 ( -3.494 -1.463 -4.746) 6.073 14.083 ( -0.288 1.402 2.578) 2.949 14.096 ( 0.195 2.049 1.442) 2.514 14.287 ( -1.601 -1.249 -0.027) 2.031 14.303 ( 4.015 -0.789 -1.230) 4.273 14.986 ( 3.364 0.135 4.929) 5.969 15.030 ( 3.101 -0.983 2.987) 4.416 15.056 ( -2.331 0.484 -2.325) 3.328 15.115 ( -1.947 -1.304 -5.430) 5.914 15.262 ( -0.635 1.162 1.152) 1.755 15.284 ( 0.775 1.622 -1.088) 2.101 15.334 ( 4.159 -0.832 2.081) 4.725 15.377 ( -4.058 -0.846 -2.110) 4.651 19.385 ( -2.090 0.196 0.361) 2.130 19.393 ( 1.631 0.056 -0.517) 1.712 19.585 ( 2.507 0.630 1.500) 2.989 19.623 ( -5.954 -0.059 -2.243) 6.363 20.268 ( -0.839 1.972 3.009) 3.694 20.326 ( 0.780 3.132 -2.686) 4.199 20.527 ( 0.541 -4.275 8.742) 9.746 20.694 ( -1.291 -6.854 -7.866) 10.513 21.231 ( -0.737 2.178 3.317) 4.036 21.301 ( 0.590 4.549 -3.687) 5.885 21.483 ( 3.075 -5.764 8.172) 10.462 21.622 ( -1.636 -4.839 -6.033) 7.905 21.779 ( -1.684 -0.844 3.501) 3.975 21.825 ( 2.064 -3.329 -0.248) 3.925 22.028 ( -2.726 -3.323 0.455) 4.322 22.045 ( 2.172 -2.674 -1.107) 3.618 22.161 ( 1.253 6.603 1.475) 6.880 22.186 ( 2.907 6.644 -0.964) 7.316 22.310 ( 1.835 0.943 1.848) 2.770 22.358 ( -2.905 -0.192 -2.688) 3.963 22.579 ( -0.814 3.438 1.800) 3.965 22.608 ( 1.901 2.536 -1.135) 3.366 22.734 ( -4.908 -6.362 1.528) 8.179 22.768 ( -0.542 -5.857 -1.453) 6.059 23.021 ( 2.049 0.326 2.122) 2.968 23.065 ( -0.011 0.743 -2.196) 2.318 23.188 ( 0.272 -1.855 2.232) 2.914 23.227 ( -0.428 -1.222 -1.833) 2.244 23.451 ( 0.169 0.470 0.197) 0.537 23.464 ( -0.025 0.706 -1.073) 1.285 23.695 ( 0.807 -1.972 0.769) 2.265 23.706 ( -1.156 -1.754 -0.458) 2.150 23.827 ( 0.170 0.767 2.786) 2.894 23.880 ( 0.158 1.839 -2.600) 3.188 23.936 ( 0.028 -1.677 5.535) 5.784 24.034 ( -0.739 -0.510 -4.780) 4.864 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 2.942 2.025 -1.576) 3.903 0.979 ( 17.567 -2.370 5.223) 18.480 1.038 ( 3.094 2.811 15.977) 16.514 1.175 ( 6.839 7.371 0.505) 10.068 1.279 ( 6.116 2.287 -9.567) 11.583 1.377 ( 10.541 -2.819 -3.492) 11.457 1.563 ( 3.568 -1.215 -3.917) 5.436 1.605 ( 6.637 0.544 2.495) 7.112 1.638 ( 3.305 -6.321 -1.910) 7.384 1.727 ( 5.418 -4.429 1.449) 7.147 1.833 ( 1.628 0.689 4.926) 5.234 1.899 ( 2.716 2.834 -5.239) 6.546 1.944 ( -3.823 -0.107 -0.104) 3.826 1.996 ( -3.987 0.285 -0.434) 4.021 2.022 ( 1.945 0.340 1.532) 2.499 2.096 ( 1.167 1.365 -3.176) 3.649 2.112 ( 2.028 0.159 1.946) 2.815 2.136 ( 0.226 -0.798 -2.419) 2.557 2.172 ( 0.302 -1.577 -0.253) 1.626 2.196 ( 1.794 0.545 2.689) 3.279 2.203 ( -0.593 0.208 -2.555) 2.631 2.290 ( 3.501 1.063 0.164) 3.663 2.350 ( 0.010 2.443 1.752) 3.007 2.372 ( 1.057 4.455 -1.064) 4.701 2.435 ( 1.297 1.590 -1.807) 2.734 2.482 ( -2.147 1.850 3.228) 4.296 2.506 ( -0.672 -0.865 3.303) 3.480 2.559 ( -1.096 1.622 4.232) 4.663 2.591 ( 0.176 -1.366 3.007) 3.308 2.628 ( -4.265 0.716 -4.448) 6.204 2.656 ( 5.780 0.249 2.028) 6.130 2.718 ( -1.055 0.044 1.629) 1.942 2.738 ( 1.755 0.869 -0.660) 2.067 2.780 ( 1.618 0.195 0.394) 1.677 2.809 ( -3.191 -0.563 -0.782) 3.334 2.919 ( 2.671 -2.121 2.226) 4.073 2.976 ( -0.257 -1.036 -3.306) 3.474 3.067 ( -0.416 -3.177 3.896) 5.044 3.141 ( -2.388 -3.027 -4.953) 6.277 3.190 ( 5.300 -5.161 -0.819) 7.443 3.286 ( -4.599 0.281 4.002) 6.103 3.350 ( -9.173 -0.976 -1.959) 9.431 3.358 ( -5.419 0.855 1.657) 5.731 3.412 ( -0.915 2.543 0.528) 2.754 3.471 ( -3.919 4.292 -0.945) 5.889 3.522 ( 0.630 2.532 2.109) 3.355 3.591 ( -1.736 0.037 0.887) 1.950 3.682 ( -2.961 -0.177 -0.671) 3.041 3.740 ( -0.844 -0.603 -2.208) 2.440 3.852 ( -0.747 0.272 -0.132) 0.805 3.863 ( -4.796 -2.943 -0.007) 5.627 3.913 ( -4.431 -0.177 0.309) 4.445 4.243 ( -2.680 0.733 -1.529) 3.172 4.279 ( -1.956 1.089 -3.321) 4.005 4.321 ( -1.485 3.074 1.365) 3.676 4.411 ( 4.855 -1.210 -0.340) 5.015 4.606 ( -1.553 -2.264 -1.574) 3.164 4.687 ( 1.623 -0.426 -0.655) 1.801 4.765 ( -3.129 2.750 2.640) 4.932 4.896 ( -0.108 0.125 1.815) 1.822 4.998 ( -8.952 0.154 2.431) 9.277 5.172 ( -9.924 -6.420 0.407) 11.826 5.250 ( 0.356 -5.656 -4.573) 7.282 5.400 ( -3.694 -0.245 2.533) 4.486 5.442 ( 3.744 -1.872 -0.864) 4.274 5.474 ( 8.626 -1.691 1.860) 8.984 5.516 ( -1.328 0.012 -2.420) 2.760 5.569 ( 0.661 -0.905 -1.095) 1.567 5.595 ( 0.622 1.861 -1.199) 2.300 5.693 ( 4.358 1.072 -2.618) 5.196 5.912 ( 1.006 -2.906 0.984) 3.229 5.967 ( 1.159 -3.632 1.590) 4.131 6.024 ( -3.258 -6.531 2.093) 7.592 6.180 ( -1.374 3.746 2.337) 4.624 6.195 ( 2.132 -6.126 -1.783) 6.726 6.302 ( -7.158 -1.397 0.263) 7.298 6.351 ( -0.270 9.306 0.224) 9.313 6.425 ( -0.839 4.716 0.999) 4.893 6.672 ( -0.501 -2.266 -1.605) 2.821 6.701 ( 2.115 -0.344 -1.730) 2.755 6.850 ( -0.672 7.491 4.922) 8.988 6.952 ( 3.299 4.626 -7.413) 9.340 7.266 ( -4.336 0.414 3.419) 5.538 7.432 ( 3.121 -3.159 0.967) 4.545 8.598 ( 0.080 0.097 3.326) 3.329 8.643 ( 2.696 -0.981 1.914) 3.449 8.659 ( 0.529 1.219 0.720) 1.511 8.704 ( 1.548 0.089 0.015) 1.550 8.755 ( -0.698 1.624 -1.008) 2.035 8.765 ( 0.130 0.120 3.275) 3.279 8.861 ( 2.651 -2.673 0.400) 3.786 8.901 ( 2.442 -0.625 -3.882) 4.628 9.124 ( -3.547 1.387 0.729) 3.878 9.183 ( -1.400 0.910 -2.781) 3.244 9.238 ( 0.194 4.331 3.433) 5.530 9.357 ( 2.648 -0.388 -2.657) 3.771 9.406 ( -2.463 -0.828 2.011) 3.286 9.453 ( -2.206 -1.526 -5.750) 6.344 9.492 ( -1.204 -1.115 1.805) 2.439 9.597 ( 1.547 -5.497 -3.233) 6.563 9.732 ( -1.794 0.619 0.089) 1.900 9.795 ( -1.419 -0.082 -0.717) 1.592 9.845 ( 0.714 -0.417 -4.128) 4.210 9.860 ( 1.468 -0.114 1.882) 2.389 9.955 ( 1.105 0.268 -0.519) 1.250 9.999 ( 0.535 0.174 0.157) 0.584 10.158 ( -4.463 2.059 -1.490) 5.136 10.209 ( -4.930 0.417 -1.609) 5.203 10.266 ( -3.425 1.605 4.018) 5.518 10.304 ( -2.177 1.222 0.831) 2.631 10.489 ( 1.194 -0.376 -0.892) 1.537 10.551 ( 1.153 -2.167 3.812) 4.534 10.617 ( 4.713 1.873 2.408) 5.615 10.699 ( 9.466 -0.725 1.422) 9.600 10.952 ( 1.131 -0.591 0.871) 1.545 10.974 ( 2.179 0.034 -0.160) 2.185 11.270 ( -5.333 1.476 -3.143) 6.364 11.368 ( -2.012 0.127 0.094) 2.018 11.380 ( -3.922 -0.999 -4.355) 5.945 11.520 ( 4.512 -2.410 6.297) 8.113 12.070 ( -1.946 3.121 -0.148) 3.682 12.141 ( 1.761 5.160 -0.072) 5.453 12.236 ( -3.159 0.309 1.373) 3.458 12.400 ( 5.445 -1.092 -0.944) 5.633 12.881 ( -1.035 0.722 4.415) 4.592 12.951 ( 0.315 -1.183 -3.190) 3.416 13.017 ( 0.566 0.879 0.760) 1.293 13.042 ( 1.762 -0.129 -0.722) 1.909 13.481 ( -1.205 2.394 -0.770) 2.788 13.524 ( 1.045 3.112 1.054) 3.448 13.635 ( -2.247 -1.054 -3.301) 4.130 13.716 ( 2.961 -1.322 4.001) 5.151 14.026 ( -5.115 1.136 0.627) 5.277 14.105 ( -2.116 0.454 0.358) 2.193 14.188 ( -6.297 1.346 -1.566) 6.627 14.353 ( 1.357 -1.823 -2.947) 3.721 15.006 ( 0.068 0.231 -3.034) 3.044 15.054 ( -0.697 -1.105 -4.492) 4.678 15.062 ( -0.945 0.747 3.837) 4.021 15.101 ( 3.645 -0.990 1.489) 4.059 15.241 ( -1.782 1.055 0.794) 2.218 15.272 ( -2.955 0.145 0.437) 2.990 15.285 ( -1.811 1.789 -2.183) 3.354 15.427 ( 3.665 -2.264 0.616) 4.352 19.441 ( 8.992 0.448 0.161) 9.004 19.491 ( 9.578 -0.931 0.147) 9.624 19.674 ( 10.712 1.690 -0.664) 10.865 19.766 ( 12.901 -0.544 4.548) 13.689 20.271 ( -1.059 1.681 3.075) 3.661 20.325 ( 1.368 3.375 -2.743) 4.559 20.532 ( -4.948 -5.721 2.507) 7.968 20.632 ( -1.391 -2.863 -1.288) 3.434 21.219 ( -2.393 1.854 2.489) 3.919 21.290 ( 0.648 4.153 -2.624) 4.955 21.494 ( -4.729 -5.689 -0.138) 7.399 21.591 ( 0.864 -3.642 -0.519) 3.779 21.737 ( -5.108 -1.592 2.674) 5.982 21.819 ( -1.303 -3.470 -2.074) 4.247 22.037 ( 4.670 -0.617 -0.479) 4.735 22.114 ( 0.731 0.060 -1.217) 1.421 22.163 ( 0.819 2.495 -1.251) 2.908 22.237 ( 4.535 6.754 -2.414) 8.486 22.297 ( -1.456 1.504 -1.092) 2.361 22.366 ( 2.908 -1.383 3.123) 4.486 22.572 ( 0.754 0.491 -0.463) 1.012 22.602 ( -1.460 1.145 -1.735) 2.540 22.708 ( -1.538 -3.787 4.400) 6.006 22.795 ( 2.118 -4.409 2.466) 5.478 23.056 ( 1.370 0.650 -2.697) 3.094 23.079 ( 2.669 0.150 0.072) 2.675 23.208 ( -0.528 -1.919 -1.365) 2.413 23.219 ( 2.081 -1.807 1.676) 3.225 23.462 ( 1.472 1.333 -0.763) 2.127 23.487 ( 2.612 -0.853 0.350) 2.769 23.653 ( -3.125 -1.110 -0.064) 3.317 23.729 ( 1.177 -1.308 0.453) 1.817 23.802 ( -3.358 0.161 0.450) 3.392 23.879 ( 0.412 2.527 -0.370) 2.587 23.969 ( -0.408 -2.097 4.454) 4.940 23.989 ( -0.907 0.684 -3.569) 3.746 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 13.278 2.320 5.357) 14.504 1.193 ( 5.049 -2.058 12.631) 13.757 1.278 ( 13.505 7.637 -7.383) 17.182 1.339 ( 10.590 4.316 2.942) 11.809 1.376 ( 8.713 -2.589 -3.916) 9.898 1.492 ( 3.921 -2.808 -2.260) 5.326 1.611 ( 2.846 -2.153 -4.714) 5.913 1.706 ( 4.228 -0.060 -1.169) 4.387 1.750 ( -1.271 -2.777 -0.713) 3.136 1.756 ( 7.637 -2.473 -2.122) 8.303 1.805 ( -9.911 0.682 1.367) 10.028 1.860 ( -2.574 2.161 -0.282) 3.372 1.914 ( -2.147 2.003 1.697) 3.391 1.991 ( 4.404 2.920 0.353) 5.295 2.058 ( 2.880 0.657 -3.374) 4.484 2.094 ( 1.625 -0.708 0.505) 1.843 2.118 ( 3.789 -2.205 -3.200) 5.427 2.178 ( 4.883 -1.129 -3.231) 5.963 2.183 ( 2.398 -3.522 0.684) 4.315 2.232 ( 7.167 2.311 -1.869) 7.759 2.284 ( -0.981 1.575 0.714) 1.988 2.344 ( 5.094 -0.455 -1.501) 5.329 2.362 ( 0.489 -0.648 -1.258) 1.497 2.420 ( 1.725 -1.057 -1.696) 2.640 2.467 ( 3.798 1.043 2.043) 4.437 2.483 ( 0.287 2.218 3.181) 3.889 2.516 ( -1.376 1.098 -0.169) 1.769 2.546 ( -1.956 -0.233 0.861) 2.150 2.569 ( 1.068 -1.524 5.477) 5.785 2.614 ( 0.595 2.046 4.969) 5.407 2.713 ( -0.406 1.993 2.037) 2.878 2.742 ( 2.394 -3.016 -1.961) 4.321 2.761 ( -0.073 1.539 -2.308) 2.775 2.806 ( 3.511 -1.685 4.704) 6.107 2.860 ( 6.196 3.298 1.695) 7.221 2.938 ( -2.640 -1.178 0.275) 2.904 3.005 ( 6.010 -0.928 -1.700) 6.314 3.047 ( -1.854 -3.489 -2.594) 4.726 3.091 ( -3.429 -2.766 2.930) 5.291 3.144 ( -7.250 -0.069 -1.577) 7.420 3.228 ( -0.057 -0.810 -2.083) 2.235 3.230 ( -4.755 -1.252 4.190) 6.460 3.320 ( -3.043 -0.242 2.669) 4.055 3.382 ( -4.875 4.088 -0.822) 6.414 3.403 ( -0.002 1.825 -3.008) 3.519 3.499 ( -5.354 1.029 3.136) 6.289 3.584 ( -0.776 1.349 1.388) 2.085 3.588 ( -1.596 1.059 -1.969) 2.747 3.715 ( -4.545 -1.074 0.588) 4.707 3.768 ( -3.982 -4.057 0.381) 5.698 3.775 ( -7.439 3.298 -3.070) 8.697 3.824 ( -6.009 -0.133 1.647) 6.232 4.154 ( -5.424 0.509 -0.885) 5.519 4.214 ( -1.896 -2.476 -3.309) 4.547 4.347 ( 0.072 2.455 4.427) 5.063 4.416 ( -3.310 -0.789 -6.241) 7.109 4.568 ( 0.621 1.167 0.031) 1.322 4.695 ( -1.504 3.766 -0.193) 4.060 4.803 ( 6.348 -0.883 -0.582) 6.436 4.895 ( -2.760 1.026 2.704) 3.998 4.956 ( -0.879 -4.947 4.063) 6.462 5.038 ( -1.047 -3.246 2.850) 4.444 5.245 ( -1.053 -4.666 -1.992) 5.182 5.270 ( -8.745 1.493 -0.575) 8.890 5.452 ( -0.384 -1.371 0.146) 1.431 5.489 ( 1.104 1.905 -0.900) 2.379 5.588 ( 0.489 0.971 3.382) 3.553 5.602 ( 2.665 -4.342 -1.596) 5.339 5.614 ( 0.808 0.396 -0.083) 0.904 5.717 ( 0.963 2.628 -3.209) 4.258 5.933 ( 1.046 -4.098 0.221) 4.235 5.963 ( -5.166 -4.977 -0.137) 7.174 6.013 ( -1.457 -4.695 1.287) 5.082 6.144 ( -4.196 0.647 2.697) 5.030 6.169 ( -3.315 2.455 1.883) 4.535 6.202 ( -1.094 -4.411 0.545) 4.577 6.358 ( 3.691 4.842 -1.293) 6.224 6.450 ( 0.734 5.748 0.962) 5.873 6.635 ( 0.426 -2.002 -6.319) 6.643 6.742 ( 0.882 -1.991 0.051) 2.178 6.878 ( 0.709 8.064 4.245) 9.140 6.973 ( 4.732 4.949 -7.081) 9.850 7.237 ( -0.147 0.608 1.815) 1.920 7.470 ( -0.781 -4.263 2.298) 4.905 8.630 ( -0.647 1.034 6.419) 6.534 8.667 ( -0.579 -0.044 1.188) 1.322 8.683 ( 1.440 0.444 -0.150) 1.514 8.749 ( 4.578 0.561 -4.192) 6.233 8.763 ( 2.931 -0.686 0.483) 3.049 8.794 ( -1.686 -0.835 5.822) 6.119 8.888 ( 2.189 -2.310 -2.727) 4.191 8.969 ( 4.548 -2.486 1.538) 5.407 9.057 ( -5.028 1.746 1.731) 5.597 9.125 ( -2.170 0.746 -3.891) 4.518 9.220 ( -2.144 4.758 -4.370) 6.807 9.353 ( -2.289 -1.371 -7.017) 7.507 9.375 ( 1.108 0.331 -2.310) 2.584 9.380 ( -1.961 -0.630 1.184) 2.375 9.486 ( -1.535 -3.320 3.016) 4.740 9.573 ( -1.045 -4.970 -2.192) 5.532 9.713 ( 0.480 2.806 -2.368) 3.703 9.784 ( 0.860 1.716 -2.828) 3.418 9.854 ( 3.076 -1.660 -2.292) 4.180 9.911 ( 2.257 -1.529 2.799) 3.907 9.939 ( -1.502 -0.975 -2.586) 3.146 9.947 ( -5.782 -1.158 1.001) 5.981 10.090 ( -3.473 1.499 -0.222) 3.789 10.147 ( -2.531 0.368 1.656) 3.046 10.265 ( -1.974 0.968 2.088) 3.032 10.301 ( 2.917 1.040 4.270) 5.275 10.524 ( 2.822 -0.197 0.386) 2.855 10.579 ( 0.786 -0.374 1.203) 1.485 10.716 ( 3.610 1.918 4.267) 5.909 10.859 ( 1.103 -1.552 1.190) 2.245 10.997 ( 3.514 0.526 0.951) 3.678 11.004 ( 4.519 -0.055 1.001) 4.629 11.211 ( 0.260 0.590 -5.092) 5.133 11.245 ( -2.920 -0.352 -1.700) 3.397 11.354 ( -3.457 2.559 1.997) 4.743 11.611 ( 1.472 -3.369 4.052) 5.472 12.049 ( -0.618 2.115 1.080) 2.454 12.168 ( 0.648 6.357 0.557) 6.414 12.203 ( -1.471 -0.991 2.665) 3.201 12.464 ( 2.753 -1.985 -3.090) 4.590 12.872 ( -2.408 0.546 2.369) 3.422 12.917 ( -1.139 -0.518 -4.033) 4.223 13.042 ( 1.298 0.978 2.346) 2.854 13.087 ( 2.653 -0.487 0.804) 2.815 13.470 ( 0.172 1.613 0.270) 1.645 13.537 ( -0.556 2.865 0.964) 3.074 13.603 ( 0.541 0.362 -1.301) 1.455 13.788 ( 1.516 -1.583 4.015) 4.575 13.934 ( -4.907 0.790 -0.467) 4.992 14.021 ( -6.610 -1.288 1.677) 6.940 14.087 ( -2.991 3.590 -5.050) 6.880 14.310 ( -2.203 -2.134 -6.812) 7.471 15.025 ( 1.324 0.052 -2.662) 2.973 15.031 ( 2.549 -0.037 -1.963) 3.217 15.041 ( -3.067 1.144 3.090) 4.502 15.123 ( -1.893 -1.576 3.461) 4.248 15.219 ( -1.051 0.568 1.327) 1.786 15.242 ( -1.182 -0.263 0.510) 1.314 15.287 ( 2.640 2.503 -1.066) 3.791 15.455 ( -0.012 -2.150 -1.690) 2.735 19.667 ( 15.187 0.060 -0.484) 15.194 19.701 ( 12.711 -0.950 0.498) 12.756 19.898 ( 13.489 2.232 -0.245) 13.675 19.990 ( 7.157 0.111 4.997) 8.729 20.271 ( -1.277 1.298 3.183) 3.667 20.348 ( 3.112 2.630 -2.411) 4.735 20.440 ( -4.387 -2.529 -2.003) 5.445 20.591 ( -4.176 -3.485 1.535) 5.652 21.198 ( -0.746 0.256 0.994) 1.268 21.291 ( 0.570 3.971 -1.463) 4.270 21.407 ( -3.612 -5.360 -0.919) 6.529 21.577 ( -4.174 1.507 2.080) 4.901 21.669 ( -2.491 -4.613 1.146) 5.367 21.789 ( -0.355 -3.106 -2.798) 4.196 22.040 ( -2.617 4.855 -3.354) 6.455 22.091 ( -2.190 0.914 -0.955) 2.558 22.200 ( 4.429 0.237 -0.090) 4.437 22.280 ( 2.515 3.480 0.011) 4.294 22.367 ( 7.566 1.177 -1.131) 7.740 22.439 ( 2.251 -3.222 2.990) 4.938 22.553 ( -0.618 0.526 -2.587) 2.711 22.615 ( 3.521 -2.794 -1.034) 4.612 22.703 ( -2.518 -0.578 4.139) 4.879 22.813 ( -2.178 -1.973 1.599) 3.346 23.057 ( -0.694 -0.742 -1.636) 1.925 23.122 ( 1.929 1.420 -0.584) 2.465 23.194 ( 1.195 -3.505 -0.496) 3.737 23.286 ( 3.651 -3.528 1.672) 5.346 23.487 ( 1.761 1.269 -0.637) 2.262 23.551 ( 3.847 -1.765 0.913) 4.330 23.600 ( -2.575 0.081 -0.385) 2.605 23.736 ( -2.545 -4.114 -0.599) 4.875 23.758 ( 0.843 3.497 0.782) 3.681 23.880 ( -0.497 2.503 0.826) 2.682 23.957 ( -0.396 1.309 -2.761) 3.081 23.972 ( -2.035 -0.883 2.717) 3.507 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 11.067 1.182 7.863) 13.628 1.328 ( 0.720 -1.861 9.892) 10.091 1.407 ( 2.522 4.160 -10.092) 11.203 1.456 ( 3.772 1.108 -1.898) 4.366 1.468 ( 10.399 2.737 -8.480) 13.695 1.527 ( -7.644 -3.410 1.566) 8.515 1.580 ( -4.987 0.452 -2.981) 5.828 1.625 ( -3.706 -0.122 -3.805) 5.313 1.666 ( 2.053 0.477 3.739) 4.293 1.754 ( 1.554 0.534 2.067) 2.640 1.803 ( -3.445 2.309 -3.011) 5.125 1.834 ( 2.185 2.577 3.510) 4.872 1.978 ( 2.859 -0.158 -0.499) 2.907 2.028 ( -2.107 4.325 -1.782) 5.130 2.086 ( 3.107 -2.668 1.739) 4.450 2.134 ( 3.032 -2.482 -1.721) 4.279 2.185 ( -1.634 -1.740 -0.137) 2.391 2.225 ( 2.018 -0.345 -1.659) 2.636 2.255 ( 4.326 -0.861 -0.891) 4.500 2.277 ( -1.507 1.539 -3.890) 4.446 2.304 ( 6.134 -0.811 -4.053) 7.396 2.331 ( 4.117 0.669 -1.448) 4.415 2.423 ( -0.227 -4.534 2.446) 5.157 2.434 ( 1.440 -0.473 3.162) 3.507 2.487 ( 1.956 -1.111 0.521) 2.309 2.499 ( -6.565 -1.709 -0.665) 6.816 2.530 ( 0.361 -1.313 -1.900) 2.337 2.571 ( 5.172 -1.663 3.860) 6.664 2.640 ( 2.588 2.141 4.774) 5.837 2.686 ( -2.499 1.201 -0.562) 2.829 2.711 ( -3.878 -0.644 2.557) 4.689 2.747 ( 4.399 2.009 3.259) 5.832 2.767 ( 1.846 0.082 0.756) 1.996 2.863 ( 0.275 0.875 1.117) 1.446 2.907 ( 4.096 0.326 5.196) 6.625 2.966 ( -0.610 -3.944 -2.033) 4.479 2.982 ( -3.604 -3.979 0.824) 5.432 3.026 ( 2.411 0.652 1.462) 2.894 3.101 ( -0.433 0.027 -1.756) 1.809 3.116 ( -4.197 2.229 1.179) 4.896 3.184 ( 3.273 0.630 -0.447) 3.363 3.228 ( -1.057 -1.810 0.436) 2.140 3.260 ( -2.835 0.287 -1.211) 3.096 3.328 ( -0.252 4.471 -8.602) 9.697 3.355 ( 0.366 1.331 5.299) 5.476 3.475 ( 0.401 2.286 1.588) 2.812 3.535 ( -4.429 1.247 -2.039) 5.033 3.610 ( -4.895 -0.699 1.415) 5.143 3.617 ( 0.347 5.536 -2.009) 5.899 3.645 ( -4.127 0.081 4.463) 6.079 3.717 ( -0.096 -2.984 -1.210) 3.222 3.741 ( -2.773 -0.788 -0.390) 2.909 4.061 ( -4.487 -0.427 1.564) 4.771 4.167 ( -1.709 -3.319 -4.393) 5.765 4.313 ( -0.942 -1.753 -3.771) 4.263 4.349 ( -1.556 -1.424 -1.388) 2.525 4.610 ( 3.278 2.469 -0.042) 4.104 4.659 ( -2.261 3.155 0.606) 3.929 4.867 ( -3.795 -1.927 5.673) 7.092 4.919 ( 4.850 -2.272 -2.204) 5.792 4.960 ( 5.985 1.034 -0.409) 6.087 5.071 ( -9.478 3.067 0.799) 9.994 5.169 ( 5.542 -4.182 4.544) 8.297 5.258 ( 1.048 -6.323 -1.541) 6.592 5.445 ( 1.220 1.369 -1.027) 2.102 5.522 ( -1.907 0.311 2.750) 3.361 5.528 ( -5.045 -2.294 3.370) 6.486 5.583 ( -1.017 3.689 0.145) 3.830 5.670 ( 1.922 -0.156 -1.350) 2.354 5.723 ( 2.251 -0.432 -3.092) 3.849 5.846 ( -5.217 -1.283 0.794) 5.431 5.906 ( -2.131 -1.112 -2.989) 3.836 5.996 ( 1.098 -4.231 1.636) 4.668 6.080 ( -3.677 -4.076 -1.003) 5.580 6.170 ( 0.644 1.684 3.879) 4.278 6.252 ( 3.114 -0.661 0.196) 3.190 6.411 ( 2.072 3.312 -1.637) 4.236 6.459 ( -0.699 4.202 1.984) 4.699 6.633 ( 4.211 -1.020 -5.007) 6.621 6.703 ( -4.484 -2.947 -1.122) 5.482 6.913 ( 0.158 7.317 3.747) 8.222 7.005 ( 2.602 6.432 -5.594) 8.912 7.304 ( 6.076 -1.896 1.217) 6.480 7.422 ( -5.944 -3.796 1.701) 7.255 8.652 ( -1.433 -0.315 5.864) 6.045 8.669 ( 0.196 -0.111 0.754) 0.786 8.698 ( -0.149 0.861 2.192) 2.360 8.773 ( -2.804 -2.033 3.438) 4.880 8.795 ( 2.629 0.113 -2.287) 3.486 8.831 ( 4.135 0.073 -4.840) 6.366 8.920 ( 1.526 -1.100 0.632) 1.984 8.986 ( -2.902 1.511 0.593) 3.325 9.008 ( -1.770 -1.525 1.093) 2.579 9.073 ( 1.167 0.557 -6.190) 6.323 9.179 ( 1.121 1.273 -2.318) 2.873 9.263 ( -2.109 -1.650 -5.989) 6.560 9.376 ( -0.141 -0.204 0.759) 0.798 9.379 ( 0.223 1.371 -0.207) 1.404 9.482 ( -0.920 -3.135 2.795) 4.299 9.553 ( -0.032 -4.388 -1.765) 4.730 9.711 ( 0.004 4.285 -0.614) 4.329 9.778 ( 1.029 2.347 -4.672) 5.328 9.852 ( -4.747 -1.083 2.750) 5.591 9.899 ( 0.358 -0.451 -1.607) 1.707 9.916 ( 3.014 -2.878 -1.618) 4.470 9.954 ( 0.060 -0.139 0.361) 0.392 10.045 ( -0.380 -2.415 1.150) 2.701 10.103 ( -3.396 -2.873 0.784) 4.517 10.280 ( 1.145 3.213 3.076) 4.593 10.347 ( -0.101 2.063 0.257) 2.081 10.588 ( 3.165 -0.233 1.693) 3.597 10.617 ( 2.347 -0.046 1.034) 2.565 10.759 ( -0.760 -0.920 2.096) 2.411 10.822 ( -2.512 -0.918 0.002) 2.674 11.022 ( 1.465 3.179 1.068) 3.660 11.108 ( -3.017 1.827 -2.467) 4.304 11.152 ( 6.136 1.812 -1.311) 6.531 11.273 ( -6.436 3.072 0.082) 7.132 11.372 ( 9.886 -2.783 5.499) 11.650 11.601 ( -4.506 -4.013 -0.005) 6.034 12.068 ( 1.601 2.001 2.412) 3.519 12.154 ( -1.615 5.237 -0.372) 5.493 12.241 ( 2.114 -1.200 5.341) 5.868 12.450 ( -0.999 -2.410 -5.801) 6.361 12.840 ( -2.249 0.552 1.382) 2.697 12.874 ( -0.580 -0.292 -3.274) 3.337 13.090 ( 1.879 1.184 2.767) 3.548 13.122 ( 0.484 0.067 0.949) 1.068 13.487 ( 1.232 1.658 0.718) 2.187 13.521 ( -1.365 2.052 0.053) 2.465 13.637 ( 3.415 1.248 0.617) 3.687 13.763 ( -4.747 0.270 -2.190) 5.235 13.896 ( -1.477 0.151 3.445) 3.752 13.959 ( -1.549 -1.525 4.865) 5.329 14.016 ( -0.682 2.509 -5.676) 6.243 14.214 ( -2.359 -2.100 -9.082) 9.616 15.000 ( -2.616 0.877 2.207) 3.533 15.020 ( 0.970 0.546 -2.154) 2.425 15.096 ( 1.801 -0.525 2.281) 2.953 15.117 ( 0.026 -0.103 2.228) 2.231 15.224 ( 0.046 0.263 1.187) 1.217 15.256 ( 2.152 -0.773 3.242) 3.967 15.311 ( 1.010 1.211 -3.083) 3.463 15.411 ( -2.893 -1.420 -3.199) 4.541 19.880 ( 5.662 -0.295 0.899) 5.740 19.888 ( 8.100 -0.555 -0.821) 8.161 20.073 ( 1.511 1.431 2.960) 3.619 20.099 ( 7.745 0.990 -1.046) 7.878 20.277 ( 0.025 1.386 3.947) 4.184 20.369 ( -0.165 0.510 -2.233) 2.297 20.386 ( 0.039 -0.018 -0.121) 0.128 20.504 ( -5.581 -1.423 -1.330) 5.911 21.213 ( 1.578 -0.772 0.828) 1.942 21.262 ( -2.829 -0.769 -0.648) 3.003 21.403 ( 3.411 0.598 0.263) 3.473 21.483 ( -6.362 3.088 1.312) 7.193 21.667 ( 0.084 -3.789 1.910) 4.244 21.763 ( -0.290 -4.679 -4.043) 6.191 22.001 ( 0.718 3.737 -1.883) 4.246 22.032 ( -3.280 2.019 -0.472) 3.880 22.255 ( 1.533 2.252 1.719) 3.221 22.328 ( 1.271 -0.678 -2.174) 2.608 22.461 ( -0.125 -1.234 1.991) 2.346 22.471 ( 3.806 1.331 -0.504) 4.064 22.578 ( 3.434 -0.901 0.310) 3.563 22.649 ( -1.787 -0.440 0.013) 1.841 22.696 ( 2.267 -4.481 0.430) 5.040 22.762 ( -3.181 -1.463 0.325) 3.517 23.025 ( -1.313 1.139 -0.149) 1.744 23.095 ( -1.882 1.634 -3.186) 4.046 23.267 ( 3.757 -5.012 3.097) 6.988 23.342 ( 1.548 -5.265 0.092) 5.489 23.514 ( 1.470 1.062 -0.023) 1.813 23.556 ( -1.440 1.564 -1.408) 2.550 23.620 ( 2.623 -2.813 1.219) 4.034 23.682 ( -2.636 -2.928 -0.540) 3.977 23.805 ( 3.072 1.937 1.309) 3.860 23.870 ( -1.406 2.028 0.561) 2.531 23.935 ( -1.770 2.401 0.495) 3.023 23.944 ( -0.512 0.822 -1.344) 1.656 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -7.457 1.863 7.526) 10.757 1.242 ( -13.105 3.602 0.417) 13.598 1.324 ( -6.516 3.404 -1.966) 7.610 1.360 ( -2.463 -0.339 5.309) 5.862 1.491 ( -2.422 -6.154 -2.129) 6.948 1.559 ( 2.666 -1.324 -2.522) 3.901 1.573 ( 6.890 -1.875 -3.269) 7.853 1.638 ( 9.750 4.355 -5.470) 11.998 1.694 ( -3.171 -2.665 -3.141) 5.198 1.763 ( 3.128 1.613 1.992) 4.044 1.816 ( -2.419 4.693 4.401) 6.873 1.927 ( -2.074 2.824 -8.442) 9.140 1.954 ( 5.211 2.256 5.251) 7.734 1.966 ( -0.190 2.152 -2.608) 3.386 2.071 ( -10.517 -0.055 3.202) 10.994 2.139 ( -1.081 0.963 -0.001) 1.448 2.157 ( -6.827 1.125 3.379) 7.701 2.208 ( -1.859 -3.769 -0.383) 4.220 2.224 ( -1.791 1.168 0.815) 2.288 2.250 ( -0.448 0.662 -0.289) 0.850 2.276 ( -4.174 0.211 -1.646) 4.492 2.358 ( -3.922 -3.108 -0.741) 5.059 2.391 ( 1.723 -2.521 1.916) 3.605 2.455 ( 0.014 -1.702 1.955) 2.592 2.489 ( -3.076 -4.454 -0.830) 5.476 2.514 ( -4.482 -2.260 -1.491) 5.236 2.540 ( 2.644 -0.405 -1.906) 3.285 2.596 ( 2.099 2.740 3.123) 4.655 2.624 ( -3.150 -2.042 -0.526) 3.791 2.681 ( -1.606 -0.550 2.841) 3.309 2.701 ( 4.370 -2.274 2.714) 5.624 2.768 ( -1.853 -0.927 -0.713) 2.191 2.850 ( -3.715 -0.877 -1.207) 4.004 2.890 ( -3.076 -1.074 2.585) 4.159 2.913 ( 2.950 0.828 2.741) 4.111 2.923 ( -4.401 1.457 -3.574) 5.854 2.963 ( -0.113 -0.694 2.261) 2.368 3.052 ( 3.965 0.211 3.453) 5.262 3.076 ( -2.613 0.460 4.068) 4.856 3.140 ( 0.118 0.043 -3.349) 3.351 3.152 ( 1.289 -1.165 0.107) 1.741 3.225 ( -1.974 1.398 1.653) 2.930 3.252 ( 2.847 0.185 -2.329) 3.683 3.304 ( 2.697 5.783 -6.669) 9.230 3.385 ( -2.011 1.101 3.242) 3.971 3.470 ( 0.513 1.769 1.412) 2.321 3.528 ( 3.050 3.437 -0.917) 4.686 3.546 ( 2.653 4.599 1.149) 5.432 3.633 ( 2.090 -2.102 2.509) 3.883 3.706 ( -0.785 -2.629 -1.301) 3.036 3.742 ( 9.337 1.339 -2.347) 9.720 3.777 ( 7.275 -2.777 -4.478) 8.982 4.058 ( 2.003 -0.891 4.846) 5.319 4.120 ( 1.216 -1.759 -4.357) 4.853 4.290 ( -1.580 -2.487 -0.727) 3.035 4.360 ( 5.375 -3.191 -2.159) 6.613 4.605 ( -3.689 1.969 0.172) 4.185 4.671 ( 3.098 4.126 -0.701) 5.207 4.842 ( -3.802 -2.253 4.587) 6.369 4.950 ( -3.641 3.256 -0.564) 4.917 4.988 ( 5.878 -2.527 -2.891) 7.021 5.082 ( 7.898 1.369 -1.721) 8.198 5.206 ( -4.160 -5.660 0.837) 7.074 5.235 ( -3.504 -4.301 1.131) 5.661 5.440 ( -2.603 3.551 0.046) 4.403 5.486 ( -2.090 0.466 6.140) 6.503 5.529 ( 3.376 -0.589 0.419) 3.453 5.629 ( -1.696 -0.655 -0.692) 1.945 5.643 ( 1.128 -0.983 2.830) 3.201 5.720 ( 2.435 -1.124 -6.402) 6.941 5.850 ( 2.391 0.694 1.253) 2.787 5.918 ( 5.922 -1.867 -3.911) 7.338 6.017 ( -0.075 -3.877 0.425) 3.901 6.064 ( 3.511 -3.570 0.261) 5.014 6.203 ( -0.488 0.664 3.571) 3.665 6.256 ( -0.505 2.790 -3.684) 4.648 6.400 ( -3.426 0.490 1.390) 3.730 6.471 ( 2.464 4.298 -0.498) 4.980 6.588 ( -6.718 -1.787 -1.066) 7.033 6.704 ( 4.178 0.311 -0.624) 4.235 6.914 ( -2.683 4.245 2.045) 5.422 7.006 ( 1.241 7.612 -4.559) 8.959 7.296 ( -7.110 -2.946 2.156) 7.993 7.431 ( 5.371 -3.236 0.651) 6.304 8.651 ( -2.666 -1.059 4.774) 5.570 8.677 ( -0.110 -0.878 0.689) 1.121 8.700 ( -1.280 1.022 1.767) 2.409 8.745 ( -2.904 -1.260 4.546) 5.540 8.820 ( 1.561 -0.953 -2.001) 2.710 8.838 ( 1.688 1.561 -6.480) 6.876 8.931 ( 0.024 2.088 1.711) 2.700 8.939 ( -3.193 -0.670 2.675) 4.219 9.024 ( 4.060 -1.684 -2.368) 4.993 9.093 ( 4.671 0.630 -6.492) 8.022 9.194 ( -0.047 -2.294 0.099) 2.296 9.215 ( 0.978 -0.751 -3.983) 4.170 9.370 ( -1.137 0.385 0.265) 1.229 9.386 ( 0.925 1.538 -0.069) 1.796 9.471 ( -3.266 -3.536 4.352) 6.489 9.549 ( 1.138 -3.206 -2.246) 4.077 9.695 ( -2.044 4.234 2.155) 5.172 9.755 ( -0.475 1.708 -2.943) 3.436 9.827 ( -0.444 1.578 2.438) 2.937 9.887 ( -2.925 -1.488 0.936) 3.413 9.924 ( 3.118 -2.100 -3.133) 4.894 9.989 ( 2.768 -1.134 -1.438) 3.319 10.058 ( -0.753 -3.450 0.090) 3.532 10.094 ( 3.433 -4.367 1.622) 5.787 10.313 ( -0.624 3.853 0.511) 3.937 10.335 ( 1.156 4.874 0.230) 5.014 10.620 ( -1.880 0.053 -0.777) 2.035 10.631 ( -0.070 -0.585 -0.396) 0.710 10.778 ( -0.514 -2.740 0.213) 2.796 10.796 ( 2.805 -2.774 2.084) 4.462 11.041 ( -3.140 3.937 -0.767) 5.094 11.056 ( 0.455 4.953 2.766) 5.691 11.147 ( -6.822 1.318 -0.849) 7.000 11.269 ( 6.966 2.853 0.459) 7.542 11.463 ( -9.040 -4.237 -3.458) 10.565 11.562 ( 6.953 -3.365 3.840) 8.627 12.117 ( -1.150 4.143 -1.844) 4.678 12.128 ( 2.729 3.047 1.923) 4.520 12.320 ( 1.554 -1.576 6.819) 7.170 12.367 ( -3.050 -2.107 -6.814) 7.757 12.820 ( -1.150 0.813 2.079) 2.511 12.868 ( 1.763 -0.483 -1.763) 2.539 13.108 ( -1.518 0.225 0.696) 1.685 13.137 ( 0.936 0.496 0.155) 1.070 13.495 ( -1.041 1.686 -0.229) 1.995 13.526 ( 2.680 2.332 -0.056) 3.553 13.663 ( -4.148 2.267 -2.246) 5.234 13.722 ( 5.001 0.933 1.850) 5.413 13.894 ( -0.654 0.936 4.381) 4.527 13.973 ( 1.485 0.258 -3.986) 4.262 14.037 ( 2.327 -1.183 7.438) 7.883 14.126 ( -0.426 -1.823 -9.416) 9.601 14.978 ( -1.559 0.959 2.063) 2.758 15.037 ( 1.804 -0.335 -1.108) 2.144 15.108 ( -0.585 0.430 0.970) 1.212 15.153 ( 2.276 -0.651 -0.787) 2.494 15.241 ( -0.295 0.452 1.962) 2.035 15.274 ( -1.066 0.815 -3.238) 3.505 15.330 ( -1.571 -0.923 -1.421) 2.311 15.342 ( 1.982 -0.720 1.831) 2.793 19.868 ( -7.620 0.020 1.032) 7.689 19.898 ( -6.145 -1.220 -0.764) 6.311 20.067 ( -4.843 2.889 1.420) 5.815 20.151 ( 1.109 0.138 -4.124) 4.273 20.305 ( -1.189 0.139 2.951) 3.184 20.338 ( -0.855 0.859 -1.027) 1.588 20.407 ( -3.280 -0.048 -2.040) 3.863 20.455 ( 6.313 -0.871 3.599) 7.318 21.205 ( -2.695 -1.442 0.985) 3.212 21.267 ( 3.279 -1.050 -0.467) 3.475 21.385 ( -4.302 1.914 1.415) 4.917 21.513 ( 7.531 2.231 -0.780) 7.893 21.679 ( -0.749 -1.988 2.726) 3.456 21.732 ( -0.041 -5.813 -3.247) 6.659 21.981 ( -1.590 4.126 -0.030) 4.421 22.035 ( 3.150 1.905 -0.917) 3.794 22.268 ( -2.822 0.776 1.687) 3.378 22.305 ( -0.657 1.425 -1.169) 1.957 22.440 ( -3.559 -0.222 1.633) 3.922 22.493 ( -1.130 1.462 -0.250) 1.864 22.573 ( -4.870 -4.037 0.916) 6.391 22.636 ( -0.005 -2.912 -0.090) 2.913 22.722 ( 2.675 -0.430 -0.158) 2.714 22.786 ( 5.133 -3.767 -2.763) 6.940 23.015 ( -1.447 2.570 2.286) 3.731 23.066 ( 1.535 1.760 -1.584) 2.822 23.309 ( -2.074 -5.935 0.776) 6.334 23.339 ( -0.248 -5.442 -1.346) 5.611 23.515 ( -1.479 1.610 -0.427) 2.228 23.552 ( 1.957 1.191 -0.791) 2.424 23.631 ( -2.128 -2.541 0.307) 3.329 23.674 ( 2.135 -3.489 0.250) 4.098 23.812 ( -3.785 2.337 0.727) 4.508 23.872 ( 1.863 0.024 0.478) 1.923 23.909 ( -1.317 2.879 0.923) 3.298 23.963 ( 3.431 2.265 -1.310) 4.315 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -17.147 2.811 -2.286) 17.526 1.063 ( -14.366 9.262 11.121) 20.392 1.209 ( -5.162 4.123 -0.235) 6.610 1.365 ( -4.539 -6.299 1.184) 7.854 1.424 ( -2.018 -3.277 -3.078) 4.928 1.531 ( -9.093 -3.873 -0.212) 9.886 1.587 ( -1.913 -1.594 -2.246) 3.354 1.636 ( -19.173 2.017 6.934) 20.488 1.685 ( 3.788 -1.431 0.430) 4.072 1.757 ( -4.537 5.688 -1.089) 7.357 1.813 ( 8.476 1.369 0.092) 8.586 1.845 ( 2.729 1.083 -3.284) 4.405 1.932 ( 0.294 1.914 2.122) 2.873 1.995 ( 0.105 -0.136 -0.752) 0.771 2.044 ( -0.287 2.105 -1.626) 2.675 2.097 ( -5.204 -2.342 -0.775) 5.759 2.114 ( -2.852 0.907 0.616) 3.055 2.144 ( -4.962 -3.424 2.882) 6.682 2.165 ( -1.993 -2.077 -2.286) 3.676 2.219 ( 1.580 2.374 4.517) 5.342 2.271 ( -2.892 0.973 -2.553) 3.979 2.318 ( -1.068 1.259 1.910) 2.524 2.343 ( -3.402 0.312 -0.144) 3.419 2.385 ( -3.293 -1.817 0.674) 3.822 2.483 ( -0.205 -1.912 1.609) 2.507 2.488 ( -4.905 -0.598 0.105) 4.943 2.508 ( -0.943 -4.447 -0.076) 4.546 2.562 ( 0.799 0.032 0.910) 1.212 2.649 ( -0.799 -0.678 1.044) 1.479 2.663 ( -5.338 -2.807 3.965) 7.217 2.691 ( -1.089 2.734 -1.806) 3.453 2.724 ( -1.592 -0.331 -0.510) 1.704 2.799 ( -0.840 2.330 -2.879) 3.798 2.819 ( -0.918 0.117 -0.230) 0.953 2.911 ( 0.070 -1.465 2.295) 2.723 2.925 ( -4.849 2.539 -3.191) 6.336 2.966 ( -1.064 -0.975 2.725) 3.084 3.008 ( -5.951 0.659 0.446) 6.004 3.111 ( 6.900 2.279 3.512) 8.071 3.172 ( 1.957 -4.111 -2.222) 5.066 3.174 ( 2.056 0.820 0.587) 2.290 3.260 ( 4.370 0.897 0.946) 4.561 3.323 ( 4.362 1.979 3.354) 5.848 3.363 ( 2.607 2.545 0.427) 3.668 3.406 ( 7.133 -0.364 -5.479) 9.002 3.523 ( 2.834 2.308 2.779) 4.592 3.562 ( 3.494 1.410 -2.303) 4.416 3.635 ( -1.255 -2.996 -0.984) 3.394 3.676 ( 6.319 3.535 2.389) 7.624 3.726 ( 2.148 -1.449 2.022) 3.287 3.863 ( 5.950 -1.977 -6.903) 9.325 3.882 ( 8.002 -1.171 -3.683) 8.886 4.140 ( 2.473 -1.482 2.768) 3.997 4.151 ( 2.899 -0.940 -0.222) 3.055 4.323 ( 5.379 0.609 2.953) 6.167 4.440 ( 4.633 -0.007 -4.790) 6.664 4.556 ( -1.168 -0.723 0.887) 1.635 4.710 ( 2.252 5.092 -1.342) 5.727 4.788 ( -2.953 -2.107 1.097) 3.790 4.941 ( 2.806 2.062 -2.195) 4.116 5.051 ( -1.765 -4.439 -4.832) 6.795 5.111 ( 3.275 -3.862 -3.631) 6.230 5.180 ( -4.227 -3.461 3.863) 6.691 5.239 ( 9.240 2.360 1.463) 9.648 5.430 ( -2.212 3.028 4.781) 6.076 5.460 ( -2.919 -3.775 1.831) 5.111 5.544 ( -2.700 1.624 1.159) 3.357 5.594 ( 0.039 -2.309 0.283) 2.327 5.669 ( -0.440 -1.949 1.019) 2.243 5.726 ( 0.428 -0.013 -7.092) 7.105 5.914 ( 3.060 -3.154 2.131) 4.884 6.004 ( 4.742 -3.017 -3.419) 6.579 6.042 ( 3.282 -4.777 -1.473) 5.980 6.167 ( 1.510 4.608 0.539) 4.879 6.171 ( 0.826 -4.763 0.574) 4.868 6.246 ( 2.398 2.628 -1.643) 3.919 6.356 ( -0.912 0.987 -1.539) 2.043 6.469 ( -3.260 3.831 -1.030) 5.135 6.531 ( 1.545 0.923 3.542) 3.973 6.742 ( -0.387 0.683 1.001) 1.272 6.858 ( -5.482 3.211 2.615) 6.870 6.955 ( -2.460 6.568 -2.832) 7.563 7.259 ( 2.201 -0.506 -0.534) 2.321 7.487 ( 0.119 -4.238 0.584) 4.280 8.613 ( -5.177 -0.087 4.957) 7.168 8.667 ( -1.655 -1.449 1.687) 2.772 8.695 ( 0.368 0.698 0.338) 0.859 8.725 ( -2.113 -0.937 2.243) 3.221 8.818 ( 1.278 -0.248 -7.427) 7.540 8.837 ( 0.961 0.346 0.017) 1.022 8.887 ( -2.158 -1.336 -0.698) 2.633 8.995 ( 3.132 3.598 2.419) 5.348 9.047 ( -2.035 -2.551 -1.209) 3.480 9.122 ( 3.051 0.508 -4.724) 5.647 9.198 ( 1.566 -0.876 1.154) 2.134 9.247 ( 4.625 0.594 -1.817) 5.004 9.346 ( -2.457 -0.595 1.745) 3.072 9.409 ( 2.140 2.020 -0.697) 3.025 9.455 ( -1.452 -4.697 6.491) 8.143 9.549 ( -0.081 -1.934 -1.498) 2.448 9.693 ( 0.834 2.015 1.992) 2.954 9.738 ( 0.126 1.791 -0.500) 1.864 9.818 ( -2.289 1.186 1.131) 2.815 9.879 ( 1.217 -2.035 1.017) 2.580 9.963 ( 0.856 -3.450 -1.296) 3.783 9.996 ( 2.912 -0.516 -2.477) 3.857 10.093 ( 2.915 -1.279 -0.226) 3.191 10.159 ( 2.422 -3.370 0.796) 4.225 10.298 ( 0.678 4.564 -1.598) 4.883 10.364 ( 1.090 4.766 -1.272) 5.052 10.550 ( -3.698 0.406 -1.961) 4.205 10.612 ( -0.339 -0.250 -2.070) 2.112 10.771 ( -1.956 -1.042 -0.931) 2.404 10.852 ( -0.556 -2.182 2.180) 3.134 10.998 ( -2.067 1.880 0.419) 2.826 11.032 ( -3.299 0.508 -1.820) 3.802 11.086 ( -0.164 2.037 5.671) 6.028 11.288 ( -5.266 -3.639 -3.799) 7.443 11.379 ( 4.238 3.397 -0.466) 5.451 11.646 ( 1.037 -3.040 0.526) 3.255 12.089 ( 0.219 3.256 -2.796) 4.297 12.181 ( 1.641 4.727 -0.058) 5.004 12.274 ( -1.712 -1.525 -4.781) 5.302 12.375 ( -0.814 -1.047 5.909) 6.056 12.824 ( -0.929 0.906 4.420) 4.606 12.905 ( 3.080 -0.981 -1.161) 3.435 13.074 ( -2.089 -0.452 -0.831) 2.293 13.121 ( -2.235 -0.521 -1.929) 2.998 13.480 ( -0.360 1.449 -0.545) 1.589 13.573 ( 3.037 2.482 -2.344) 4.570 13.601 ( -1.763 3.916 -1.326) 4.495 13.809 ( 2.813 -0.341 1.172) 3.066 13.954 ( 3.278 3.137 7.614) 8.864 13.978 ( 1.969 0.429 -3.933) 4.419 14.091 ( 3.757 -2.116 -4.861) 6.498 14.153 ( 3.938 -1.348 7.643) 8.703 14.968 ( -1.275 0.621 2.271) 2.678 15.029 ( -3.981 -1.203 -0.573) 4.198 15.095 ( 1.268 1.403 -2.406) 3.061 15.180 ( 1.373 -1.754 -2.076) 3.045 15.224 ( -0.516 0.647 0.907) 1.228 15.266 ( 0.768 0.506 -1.344) 1.628 15.285 ( -0.559 1.761 -1.883) 2.638 15.411 ( 1.851 -1.505 2.951) 3.795 19.666 ( -13.967 0.058 -0.129) 13.968 19.709 ( -13.401 -1.507 -0.276) 13.488 19.901 ( -13.197 4.143 -0.332) 13.836 20.104 ( -3.722 -0.668 -6.510) 7.528 20.299 ( -2.777 0.774 2.351) 3.719 20.323 ( 0.818 1.198 -1.576) 2.141 20.379 ( 0.333 -0.490 2.390) 2.462 20.602 ( 7.686 -6.341 2.293) 10.225 21.176 ( -1.367 -0.738 1.926) 2.474 21.308 ( 1.724 3.657 -2.128) 4.569 21.355 ( -0.790 -4.607 3.194) 5.661 21.638 ( 6.410 1.069 -2.822) 7.085 21.673 ( 0.065 -3.268 2.253) 3.970 21.739 ( 1.509 -3.242 0.674) 3.639 21.986 ( 1.726 6.997 1.462) 7.353 22.077 ( 1.303 1.024 0.121) 1.662 22.191 ( -5.735 0.896 0.852) 5.866 22.281 ( -1.442 2.610 -0.063) 2.982 22.352 ( -7.630 -0.037 0.323) 7.637 22.476 ( -1.916 -2.932 -0.919) 3.621 22.501 ( -0.937 -1.614 2.391) 3.033 22.622 ( -0.782 -3.265 -1.308) 3.603 22.777 ( 2.862 0.503 -2.400) 3.769 22.838 ( 2.783 -1.688 -2.099) 3.873 23.021 ( 0.298 -1.071 2.961) 3.163 23.104 ( 1.629 2.817 0.788) 3.348 23.217 ( -6.050 -7.006 -2.613) 9.619 23.313 ( -2.361 -3.105 -1.117) 4.058 23.484 ( -1.640 1.595 -0.407) 2.324 23.560 ( -2.569 -0.594 -0.034) 2.637 23.611 ( 1.880 -1.585 -1.350) 2.805 23.717 ( 2.048 -3.564 1.689) 4.444 23.760 ( -1.889 2.887 0.290) 3.462 23.896 ( 0.606 -0.114 0.918) 1.105 23.898 ( -0.855 2.834 1.404) 3.276 24.024 ( 4.038 0.377 -2.281) 4.653 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -11.689 4.331 -0.821) 12.493 0.903 ( -12.897 9.850 13.812) 21.310 1.118 ( -7.172 2.498 -1.730) 7.790 1.198 ( -10.164 -5.729 -4.386) 12.465 1.327 ( -11.990 6.699 16.581) 21.531 1.350 ( -4.046 -1.907 -8.940) 9.996 1.461 ( -2.234 -5.363 -3.625) 6.848 1.574 ( 0.113 -2.391 1.757) 2.970 1.613 ( -5.555 1.676 -2.440) 6.295 1.758 ( -1.173 -2.166 -0.299) 2.481 1.825 ( -5.557 -0.947 0.887) 5.707 1.913 ( 1.102 -1.701 -0.181) 2.035 1.969 ( 1.038 0.427 1.640) 1.988 1.975 ( 1.325 0.190 3.048) 3.329 2.020 ( 1.265 2.067 -2.429) 3.432 2.029 ( -1.805 -0.931 1.325) 2.425 2.050 ( -2.435 -0.066 2.612) 3.572 2.144 ( 1.476 -0.053 0.942) 1.752 2.160 ( 1.703 1.045 1.642) 2.586 2.187 ( -2.964 0.058 -3.222) 4.378 2.232 ( -3.895 2.026 1.375) 4.601 2.296 ( -1.878 -0.599 -0.834) 2.140 2.344 ( -0.917 -2.408 4.138) 4.875 2.365 ( 0.169 1.575 -2.341) 2.827 2.417 ( 2.652 0.801 0.769) 2.876 2.485 ( -1.090 -0.067 0.962) 1.455 2.541 ( 1.439 -0.948 2.617) 3.133 2.569 ( -2.665 0.694 1.643) 3.207 2.603 ( 0.614 2.386 0.115) 2.467 2.634 ( -3.474 -0.131 -2.321) 4.180 2.677 ( -1.237 4.050 -1.434) 4.471 2.730 ( 1.951 0.998 1.354) 2.576 2.762 ( -1.596 -0.958 -1.790) 2.582 2.782 ( -1.540 2.040 -0.395) 2.586 2.864 ( -0.167 -0.105 2.695) 2.702 2.884 ( -0.431 -2.637 -6.284) 6.828 2.933 ( -2.119 0.303 2.780) 3.509 3.030 ( 0.832 -3.465 6.334) 7.267 3.152 ( -2.783 -1.202 0.384) 3.055 3.172 ( 2.619 -2.265 -3.714) 5.078 3.297 ( 3.701 3.616 2.878) 5.921 3.331 ( 5.923 -2.702 0.650) 6.542 3.397 ( 4.104 0.163 -3.964) 5.708 3.427 ( 3.166 2.137 2.113) 4.365 3.487 ( 4.266 0.457 -4.546) 6.251 3.548 ( -1.337 3.075 1.821) 3.815 3.605 ( 0.839 -0.870 -1.016) 1.579 3.670 ( 7.863 1.339 0.575) 7.997 3.728 ( -2.211 -1.818 0.220) 2.871 3.801 ( 2.787 1.336 3.268) 4.498 3.899 ( 3.260 -2.655 -3.866) 5.712 3.956 ( 2.668 -1.842 -2.883) 4.338 4.177 ( 0.544 0.791 3.986) 4.100 4.216 ( 4.462 0.126 0.107) 4.465 4.410 ( 0.687 0.855 -2.062) 2.336 4.438 ( -0.297 3.193 -4.453) 5.487 4.594 ( 4.193 -4.493 -0.655) 6.181 4.707 ( 0.106 -0.186 -2.747) 2.755 4.812 ( 3.279 2.232 -1.368) 4.196 4.937 ( -1.954 -1.669 -2.486) 3.576 5.035 ( 5.971 2.012 -1.085) 6.394 5.157 ( 2.080 -5.462 3.588) 6.858 5.217 ( 6.304 -5.963 -2.767) 9.108 5.349 ( -7.821 -2.452 5.157) 9.684 5.396 ( 5.210 0.668 3.495) 6.309 5.445 ( -2.787 -2.729 2.808) 4.807 5.540 ( -0.193 1.766 -2.946) 3.440 5.573 ( -0.585 -1.947 0.550) 2.106 5.649 ( -1.912 -3.227 -3.415) 5.073 5.658 ( -1.649 5.100 -1.854) 5.671 5.930 ( -0.922 -2.887 -0.582) 3.086 6.014 ( -3.474 -3.027 -2.921) 5.455 6.072 ( 4.948 -7.001 -2.870) 9.041 6.124 ( -3.170 -5.511 4.087) 7.558 6.237 ( 1.139 3.959 -2.225) 4.682 6.285 ( -0.145 2.635 1.692) 3.135 6.380 ( 4.937 6.557 -2.014) 8.451 6.450 ( 0.804 1.292 -0.629) 1.646 6.591 ( 1.910 -0.059 4.267) 4.675 6.708 ( -1.062 -0.706 -1.547) 2.004 6.809 ( -2.534 6.481 6.859) 9.771 6.939 ( 2.129 5.240 -4.042) 6.951 7.313 ( 3.689 -0.919 -1.397) 4.050 7.441 ( -5.149 -3.349 0.119) 6.144 8.561 ( -3.313 0.481 4.129) 5.316 8.645 ( -2.877 -2.095 3.174) 4.768 8.697 ( -1.221 0.091 0.465) 1.309 8.715 ( 0.902 1.228 -0.103) 1.527 8.769 ( -1.999 -1.450 -6.410) 6.869 8.833 ( -1.407 -1.931 -0.202) 2.398 8.876 ( 1.714 -0.335 -2.940) 3.419 8.918 ( -5.092 0.303 -5.270) 7.334 9.095 ( 2.968 3.932 4.596) 6.737 9.144 ( 1.964 2.365 -1.870) 3.598 9.239 ( -0.754 0.599 7.667) 7.727 9.306 ( -1.642 -0.769 0.604) 1.911 9.350 ( 6.134 -0.047 -1.817) 6.397 9.453 ( 3.258 1.504 -0.565) 3.633 9.486 ( -1.814 -3.308 7.242) 8.165 9.546 ( 1.924 -4.082 -1.641) 4.802 9.750 ( 1.330 1.304 3.019) 3.547 9.754 ( 4.041 0.167 -1.157) 4.207 9.789 ( -1.573 -0.840 1.102) 2.096 9.883 ( -0.629 -2.515 -0.849) 2.728 9.978 ( 2.016 1.729 -1.809) 3.213 10.026 ( 0.189 0.459 -2.599) 2.646 10.153 ( 4.204 -1.497 0.474) 4.487 10.179 ( 1.238 -1.528 0.298) 1.989 10.321 ( 1.430 2.448 -1.088) 3.037 10.352 ( 1.077 3.095 -4.067) 5.222 10.494 ( -1.443 2.142 -1.689) 3.086 10.598 ( -1.461 0.445 -1.120) 1.894 10.688 ( -4.595 -1.015 -3.625) 5.940 10.738 ( -9.809 -1.418 -2.034) 10.118 10.960 ( -1.694 0.156 0.098) 1.704 10.977 ( -3.658 -0.057 -0.688) 3.723 11.191 ( 7.563 0.342 5.759) 9.513 11.276 ( 3.146 -2.971 1.985) 4.761 11.414 ( 0.574 2.478 -1.611) 3.010 11.614 ( -3.269 -2.742 -3.105) 5.277 12.091 ( 1.718 3.764 -2.323) 4.745 12.164 ( -1.796 3.797 -2.322) 4.800 12.266 ( 2.178 0.813 -1.635) 2.843 12.365 ( -3.625 -0.548 2.946) 4.703 12.839 ( -1.560 0.630 6.451) 6.667 12.940 ( 1.296 -1.894 -1.074) 2.533 13.023 ( -2.750 0.391 -0.064) 2.778 13.067 ( -1.252 0.103 -2.450) 2.754 13.479 ( 0.639 1.973 -0.298) 2.096 13.563 ( -1.139 6.213 -3.008) 6.996 13.606 ( 2.001 -1.228 -0.794) 2.479 13.801 ( -2.520 -1.670 -3.700) 4.778 14.019 ( 4.235 1.488 -0.074) 4.489 14.065 ( 2.879 2.954 4.942) 6.437 14.183 ( 7.697 -1.082 -0.877) 7.822 14.269 ( 3.364 -1.374 5.639) 6.709 14.951 ( -2.823 0.125 1.986) 3.454 14.970 ( -0.038 -0.488 3.764) 3.796 15.098 ( -0.675 0.821 -0.989) 1.452 15.169 ( -0.515 -2.069 -3.142) 3.797 15.246 ( 1.993 0.663 0.223) 2.112 15.264 ( 0.041 1.810 -0.591) 1.904 15.288 ( 1.720 1.522 -1.215) 2.599 15.431 ( -1.042 -1.598 0.407) 1.951 19.452 ( -8.331 0.257 -0.869) 8.380 19.490 ( -10.090 -0.853 0.276) 10.130 19.669 ( -11.188 2.900 -0.040) 11.558 19.885 ( -15.127 -2.225 -8.090) 17.298 20.268 ( -1.682 1.900 2.745) 3.738 20.328 ( 0.969 2.325 -2.527) 3.568 20.443 ( 2.590 -1.957 6.886) 7.612 20.716 ( 4.675 -10.875 -4.675) 12.726 21.195 ( 1.523 1.273 3.496) 4.020 21.311 ( 0.953 5.093 -3.219) 6.100 21.384 ( 0.533 -6.030 7.798) 9.872 21.659 ( 1.180 -4.382 -3.650) 5.824 21.748 ( 2.641 -0.149 3.114) 4.085 21.779 ( 2.692 -2.433 0.277) 3.639 22.039 ( -2.065 -0.032 -0.559) 2.140 22.058 ( 1.986 5.633 3.369) 6.857 22.149 ( -0.190 2.795 0.572) 2.860 22.204 ( -8.028 0.585 1.077) 8.121 22.276 ( 0.832 2.475 0.607) 2.681 22.422 ( -2.411 -3.730 -2.507) 5.100 22.542 ( 2.013 0.893 2.752) 3.525 22.601 ( 0.086 1.061 -1.991) 2.257 22.781 ( -0.138 -2.551 -2.641) 3.675 22.845 ( -2.067 -4.251 -2.500) 5.347 23.017 ( -3.223 -0.788 1.093) 3.493 23.078 ( -1.497 -0.350 0.236) 1.555 23.170 ( 0.199 -1.976 2.195) 2.960 23.258 ( -2.037 -1.701 -2.034) 3.344 23.457 ( -0.982 1.212 -0.175) 1.570 23.499 ( -2.922 -0.318 -0.918) 3.079 23.653 ( 2.794 -1.159 -0.190) 3.031 23.735 ( -1.048 -2.650 -0.217) 2.858 23.776 ( 2.482 0.945 2.833) 3.883 23.893 ( -0.360 2.386 -0.126) 2.416 23.911 ( -0.235 -0.822 3.025) 3.144 24.057 ( 1.839 -0.814 -4.217) 4.672 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 2.693 3.362 -0.251) 4.315 0.760 ( -6.806 -2.177 -6.439) 9.619 1.020 ( -1.751 5.918 10.259) 11.972 1.161 ( 2.172 -7.481 0.165) 7.792 1.208 ( 0.527 4.266 1.113) 4.440 1.286 ( -0.585 -4.527 -3.642) 5.839 1.474 ( 0.082 -0.526 -2.895) 2.943 1.522 ( 0.007 -4.182 -5.924) 7.251 1.651 ( -0.283 12.602 8.190) 15.032 1.700 ( 0.278 7.014 -0.631) 7.048 1.791 ( -0.203 -1.512 4.180) 4.450 1.881 ( 1.589 -5.373 1.680) 5.850 1.959 ( -1.218 -1.231 2.634) 3.152 1.990 ( 1.114 -2.668 -0.189) 2.897 2.046 ( 0.237 0.390 0.828) 0.946 2.049 ( 0.922 0.901 1.676) 2.114 2.086 ( 1.585 -0.011 -0.941) 1.843 2.098 ( -2.645 -1.589 -2.160) 3.766 2.168 ( -0.255 0.033 2.524) 2.537 2.185 ( 2.769 -1.648 1.941) 3.762 2.234 ( -1.371 1.047 -1.252) 2.131 2.259 ( 1.066 -1.405 -1.451) 2.284 2.357 ( 0.373 3.470 7.151) 7.957 2.424 ( 1.604 -3.061 2.563) 4.302 2.443 ( 2.609 1.357 1.014) 3.111 2.472 ( -0.104 -1.162 0.363) 1.222 2.539 ( -1.673 2.943 2.118) 3.993 2.585 ( -2.251 -0.539 -0.024) 2.315 2.625 ( -2.581 2.965 -2.017) 4.418 2.640 ( -3.168 2.350 -4.565) 6.033 2.683 ( -0.061 -0.530 0.854) 1.007 2.720 ( -1.302 -2.742 3.116) 4.350 2.758 ( 0.078 1.560 -3.255) 3.611 2.789 ( -1.295 -1.013 -2.472) 2.969 2.821 ( -1.658 1.826 2.858) 3.775 2.877 ( 0.271 -1.722 1.242) 2.140 2.942 ( 2.402 2.803 -1.492) 3.982 3.015 ( 3.414 -2.800 -4.584) 6.365 3.091 ( -1.370 0.816 2.515) 2.977 3.124 ( 0.802 -2.976 -1.742) 3.540 3.350 ( -1.043 0.391 -0.532) 1.235 3.373 ( 1.635 -2.030 -0.488) 2.652 3.465 ( -5.438 2.561 3.274) 6.844 3.477 ( 3.573 1.853 0.552) 4.062 3.516 ( -3.911 0.199 0.193) 3.921 3.540 ( 3.515 -1.556 -1.582) 4.157 3.630 ( -2.935 -0.734 0.716) 3.109 3.635 ( 0.636 -1.075 -0.180) 1.262 3.822 ( -0.111 2.742 0.855) 2.875 3.846 ( 1.688 1.391 -0.958) 2.388 3.901 ( 1.519 -1.916 -1.580) 2.911 3.904 ( -1.340 -1.312 -1.389) 2.334 4.238 ( 1.423 1.168 3.753) 4.180 4.276 ( 3.977 -2.598 1.088) 4.874 4.426 ( -4.037 3.357 -4.063) 6.639 4.432 ( -0.510 2.857 -4.783) 5.595 4.573 ( 2.838 -2.511 -0.370) 3.807 4.587 ( -2.747 -3.531 -1.503) 4.719 4.906 ( -3.273 2.573 1.184) 4.328 4.920 ( 1.022 1.510 -0.214) 1.836 5.141 ( -5.127 -1.646 3.194) 6.261 5.151 ( 2.438 -2.542 2.960) 4.601 5.223 ( 1.385 -1.703 -2.582) 3.389 5.230 ( 7.459 -0.999 -2.731) 8.006 5.321 ( -4.416 -3.078 0.695) 5.428 5.336 ( 2.371 -4.033 -1.275) 4.849 5.512 ( 0.522 0.456 -0.228) 0.730 5.542 ( -0.109 -2.976 -2.733) 4.042 5.691 ( 1.277 5.308 0.885) 5.530 5.717 ( -0.792 3.639 -1.432) 3.990 5.887 ( -2.524 -1.527 3.593) 4.649 5.941 ( -4.619 -6.985 3.432) 9.050 5.962 ( 1.765 1.260 -3.765) 4.344 6.014 ( 4.002 -4.983 -3.755) 7.413 6.285 ( -3.305 2.235 1.338) 4.208 6.309 ( 0.115 -0.162 -0.975) 0.995 6.501 ( 0.691 5.861 3.407) 6.814 6.555 ( 1.616 4.451 -1.569) 4.988 6.613 ( 0.218 -1.722 2.608) 3.133 6.666 ( -0.402 -3.531 -2.534) 4.364 6.951 ( -0.053 5.361 3.530) 6.419 7.005 ( 1.003 0.093 -1.804) 2.066 7.316 ( -1.584 0.854 1.628) 2.427 7.348 ( 0.467 -2.037 -1.543) 2.598 8.571 ( 0.243 0.423 3.049) 3.088 8.585 ( -1.159 -1.120 2.086) 2.636 8.686 ( -0.808 0.774 -0.554) 1.249 8.696 ( -0.307 -0.065 -1.228) 1.268 8.757 ( 0.201 0.938 2.081) 2.292 8.782 ( 0.002 -1.743 0.303) 1.769 8.862 ( -1.548 2.059 -3.263) 4.157 8.887 ( 0.881 -0.640 -4.759) 4.882 9.192 ( -0.840 1.602 1.322) 2.241 9.204 ( 0.094 0.437 0.058) 0.450 9.277 ( -0.793 1.258 6.344) 6.516 9.294 ( 0.879 -1.007 7.040) 7.166 9.416 ( -0.674 1.290 -0.521) 1.546 9.451 ( 2.506 -2.134 0.400) 3.316 9.483 ( 0.859 -0.797 -6.243) 6.352 9.497 ( 2.246 -2.626 -3.958) 5.254 9.764 ( -1.125 1.209 3.589) 3.951 9.794 ( -0.170 -1.329 3.435) 3.687 9.825 ( 3.535 0.894 -2.719) 4.548 9.846 ( 1.194 -1.068 -1.940) 2.516 9.989 ( -2.504 0.934 -1.487) 3.058 9.997 ( -1.202 0.026 -1.872) 2.224 10.216 ( 3.105 0.081 1.170) 3.319 10.223 ( 3.239 -0.606 0.350) 3.314 10.363 ( -1.534 1.942 0.917) 2.640 10.375 ( -1.750 0.619 -0.265) 1.875 10.506 ( -4.746 0.473 -1.615) 5.035 10.510 ( -1.950 0.374 -1.933) 2.771 10.585 ( -1.910 0.351 -1.376) 2.380 10.607 ( 1.599 -1.548 -3.023) 3.754 10.937 ( -0.499 0.187 -0.129) 0.548 10.942 ( 0.318 -0.209 -0.563) 0.679 11.328 ( 4.080 0.592 4.556) 6.144 11.350 ( 5.346 -1.676 6.178) 8.340 11.412 ( -3.639 2.303 -3.952) 5.845 11.460 ( -4.460 -2.879 -5.008) 7.298 12.174 ( -1.413 2.340 -0.637) 2.807 12.180 ( 1.173 1.946 -1.067) 2.511 12.300 ( -2.296 0.587 0.500) 2.422 12.313 ( 1.531 -0.556 -0.718) 1.780 12.880 ( -0.230 1.557 4.744) 4.998 12.913 ( 0.294 -1.990 2.309) 3.062 13.027 ( 0.314 0.915 -1.309) 1.628 13.039 ( -0.031 -0.378 -1.793) 1.832 13.551 ( 1.727 3.209 0.545) 3.685 13.589 ( -1.137 1.548 -3.511) 4.002 13.623 ( 0.841 0.234 0.803) 1.187 13.674 ( -3.110 -2.902 -4.105) 5.911 14.115 ( -0.585 1.752 2.698) 3.269 14.128 ( -0.432 0.767 1.691) 1.907 14.268 ( 0.663 -0.289 -0.785) 1.067 14.282 ( 2.645 -1.378 -1.735) 3.450 14.993 ( 3.308 0.679 4.505) 5.631 15.010 ( 3.343 -1.139 3.976) 5.318 15.068 ( -2.306 0.901 -3.206) 4.051 15.089 ( -2.149 -1.377 -4.044) 4.782 15.287 ( -0.236 1.471 1.436) 2.069 15.313 ( 0.615 -1.113 1.407) 1.896 15.320 ( 0.558 1.834 -1.318) 2.326 15.354 ( -1.941 -1.612 -2.084) 3.273 19.389 ( -0.992 0.259 0.227) 1.050 19.393 ( 0.378 -0.118 -0.144) 0.422 19.601 ( 0.331 0.976 -0.167) 1.044 19.616 ( -2.688 -0.652 -1.725) 3.259 20.324 ( -1.433 4.156 4.554) 6.329 20.392 ( 0.095 0.835 0.623) 1.046 20.449 ( 0.500 -0.552 2.324) 2.440 20.553 ( 2.281 -7.843 -5.109) 9.634 21.286 ( -0.368 3.688 6.327) 7.333 21.359 ( 0.738 -3.059 5.861) 6.652 21.419 ( 0.879 3.864 -2.553) 4.714 21.522 ( -1.038 -5.901 -6.249) 8.657 21.768 ( -1.286 -0.087 2.725) 3.015 21.782 ( -0.086 -1.592 1.530) 2.210 21.987 ( -0.947 -0.861 -0.423) 1.348 21.998 ( 1.880 -1.911 -1.503) 3.073 22.256 ( 0.241 3.286 2.527) 4.152 22.285 ( 0.551 0.598 -0.403) 0.908 22.356 ( 1.365 6.156 1.449) 6.470 22.395 ( 0.510 3.782 -2.424) 4.520 22.584 ( 1.576 -4.925 3.248) 6.106 22.622 ( 3.377 -6.932 -0.113) 7.712 22.640 ( -4.892 1.353 -1.543) 5.305 22.659 ( -4.291 -0.928 -2.357) 4.983 23.042 ( 1.407 1.814 2.957) 3.744 23.072 ( 0.973 -0.715 0.905) 1.509 23.167 ( -0.265 0.339 -0.042) 0.432 23.196 ( -0.407 -2.071 -2.365) 3.170 23.462 ( -0.056 0.592 0.151) 0.614 23.469 ( -0.176 -0.107 -0.540) 0.578 23.666 ( -0.140 -0.648 0.362) 0.755 23.675 ( 0.826 -1.379 -0.507) 1.685 23.858 ( -0.673 2.378 4.062) 4.754 23.901 ( -0.516 -2.013 5.223) 5.621 23.935 ( 0.289 3.458 -3.614) 5.010 23.998 ( 0.120 -3.084 -4.642) 5.574 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 5.729 6.904 0.186) 8.974 0.860 ( 10.258 -8.623 4.193) 14.042 1.151 ( 9.370 7.728 7.813) 14.442 1.262 ( 8.965 -0.918 -3.827) 9.790 1.292 ( 5.718 0.254 -1.650) 5.957 1.322 ( 8.859 -2.519 0.552) 9.227 1.505 ( 3.666 -3.318 0.203) 4.948 1.521 ( 4.314 -4.728 -2.947) 7.047 1.689 ( 1.912 7.366 -0.993) 7.675 1.751 ( 3.560 3.874 -0.339) 5.272 1.847 ( 2.330 1.653 5.746) 6.417 1.921 ( 2.110 -2.625 -0.509) 3.406 1.962 ( -0.340 2.302 -2.446) 3.377 1.998 ( -0.497 -0.683 -1.559) 1.773 2.011 ( -0.950 -0.647 0.803) 1.402 2.049 ( -0.310 -3.167 -2.427) 4.002 2.113 ( 1.270 -0.135 0.611) 1.416 2.131 ( 2.453 -0.810 -1.061) 2.793 2.174 ( 0.756 1.945 3.637) 4.193 2.194 ( 1.240 0.062 1.352) 1.836 2.237 ( 2.653 1.629 -3.459) 4.654 2.290 ( 3.113 -2.652 -3.176) 5.178 2.384 ( -2.441 1.978 1.669) 3.557 2.413 ( -1.874 -0.497 -3.789) 4.256 2.452 ( 0.250 1.585 -0.938) 1.859 2.481 ( -0.153 -1.782 1.100) 2.099 2.523 ( -1.873 1.899 9.056) 9.441 2.554 ( -2.425 -0.850 -3.605) 4.427 2.613 ( -1.779 -0.385 4.286) 4.657 2.630 ( 3.495 1.428 4.723) 6.047 2.668 ( 1.769 1.648 0.489) 2.467 2.716 ( -2.135 0.366 -0.601) 2.248 2.731 ( -2.477 -2.782 1.222) 3.920 2.750 ( 1.189 -2.751 -0.492) 3.037 2.813 ( -1.043 3.759 2.052) 4.408 2.894 ( 0.749 -3.595 2.172) 4.266 2.991 ( 4.340 4.315 -5.024) 7.918 3.051 ( 2.003 -0.026 -0.204) 2.014 3.096 ( -0.561 -1.409 -2.584) 2.996 3.131 ( 0.965 -2.293 1.224) 2.772 3.274 ( -5.570 0.105 0.358) 5.582 3.308 ( -7.715 -2.868 -3.180) 8.824 3.403 ( -3.766 2.697 3.181) 5.619 3.436 ( -1.568 -0.405 2.307) 2.819 3.532 ( -3.714 2.364 0.541) 4.436 3.566 ( -1.438 -1.445 1.624) 2.607 3.585 ( -0.179 3.937 1.602) 4.254 3.663 ( 1.961 -3.222 -0.194) 3.776 3.738 ( -6.105 1.537 -1.427) 6.456 3.791 ( -7.203 -3.640 -0.564) 8.090 3.879 ( -0.185 1.713 -1.245) 2.126 3.908 ( -1.662 -0.939 -1.327) 2.324 4.267 ( -1.131 1.958 -3.445) 4.121 4.294 ( -3.505 -0.213 -6.285) 7.199 4.366 ( -1.134 1.603 3.775) 4.255 4.388 ( 1.123 -1.058 3.460) 3.788 4.605 ( 4.130 2.064 -1.440) 4.837 4.657 ( 5.702 -2.782 0.105) 6.345 4.811 ( -5.756 2.924 1.696) 6.675 4.873 ( -5.296 -3.128 0.880) 6.214 5.010 ( -8.599 1.909 1.068) 8.873 5.076 ( -8.500 -4.817 -0.433) 9.780 5.208 ( 2.137 2.719 -2.429) 4.226 5.310 ( 2.160 -6.920 -0.176) 7.252 5.428 ( 4.795 -0.490 -1.056) 4.934 5.434 ( 7.957 -1.406 -0.454) 8.093 5.511 ( -0.797 -0.052 -1.549) 1.742 5.532 ( 0.888 -2.181 0.364) 2.383 5.683 ( 0.422 6.086 -0.880) 6.163 5.745 ( 2.610 2.779 -0.670) 3.871 5.847 ( -1.311 -3.647 3.054) 4.934 5.883 ( -3.764 -4.668 3.475) 6.930 5.976 ( 0.545 1.408 -2.226) 2.690 6.055 ( 2.288 -7.153 -2.716) 7.986 6.240 ( -3.691 2.585 3.076) 5.456 6.276 ( -4.732 -1.506 1.916) 5.323 6.501 ( -3.067 6.849 -1.707) 7.696 6.551 ( 1.592 6.618 -0.540) 6.828 6.613 ( -1.697 -3.524 -1.072) 4.055 6.666 ( 2.334 -3.833 0.051) 4.488 6.973 ( 0.688 5.063 2.452) 5.667 7.013 ( 2.105 0.946 -3.253) 3.988 7.293 ( -2.019 2.718 1.428) 3.675 7.360 ( 0.900 -4.300 0.214) 4.399 8.605 ( 2.026 0.644 1.952) 2.886 8.621 ( 2.752 -1.132 1.945) 3.555 8.686 ( 0.257 1.722 1.257) 2.148 8.710 ( 1.834 -0.176 -0.002) 1.842 8.755 ( -1.509 -0.231 0.995) 1.822 8.771 ( -0.502 -0.979 -0.188) 1.116 8.846 ( 0.833 1.705 -0.430) 1.945 8.884 ( 1.674 -1.622 -1.856) 2.980 9.155 ( -3.492 1.802 1.449) 4.189 9.182 ( -2.682 -0.963 0.518) 2.897 9.315 ( 0.467 3.301 3.644) 4.939 9.350 ( 1.713 -0.414 0.784) 1.929 9.392 ( -1.610 0.306 1.024) 1.932 9.431 ( -0.936 -1.724 -6.420) 6.713 9.468 ( -0.749 -0.541 -4.030) 4.135 9.500 ( 0.555 -4.190 -3.608) 5.557 9.752 ( -0.778 1.642 0.968) 2.059 9.782 ( -1.510 -1.374 1.117) 2.327 9.845 ( 1.322 0.435 -4.454) 4.667 9.854 ( 1.175 -0.446 -2.010) 2.371 9.970 ( -1.011 1.039 1.528) 2.106 9.989 ( -1.247 -0.945 1.660) 2.281 10.194 ( -2.303 1.541 -3.644) 4.578 10.211 ( -1.833 -0.305 -4.193) 4.586 10.303 ( -5.602 1.955 5.143) 7.852 10.321 ( -4.825 0.170 2.827) 5.595 10.488 ( 1.516 0.456 1.077) 1.915 10.510 ( 1.286 -1.976 3.204) 3.978 10.650 ( 6.782 1.718 1.430) 7.141 10.679 ( 7.733 -1.442 0.831) 7.911 10.952 ( 1.477 0.546 0.497) 1.651 10.966 ( 2.126 -0.800 -0.154) 2.277 11.302 ( -4.561 1.898 -4.833) 6.910 11.338 ( -4.768 -2.057 -6.165) 8.061 11.407 ( 1.296 2.692 4.067) 5.047 11.465 ( 3.246 -3.413 5.409) 7.172 12.136 ( -2.423 3.532 0.385) 4.301 12.183 ( -0.845 -1.090 -0.004) 1.380 12.285 ( 0.376 4.832 0.748) 4.904 12.363 ( 3.571 -3.204 -0.395) 4.814 12.899 ( -0.586 1.272 2.492) 2.858 12.926 ( -0.069 -1.507 -0.081) 1.511 13.031 ( 0.976 0.592 -0.560) 1.271 13.038 ( 1.247 -0.240 -0.790) 1.496 13.533 ( -1.840 3.005 -1.963) 4.033 13.572 ( -0.785 0.061 -0.592) 0.984 13.626 ( 0.490 1.661 0.195) 1.743 13.678 ( 2.635 -2.800 3.356) 5.104 14.057 ( -5.681 2.042 0.703) 6.078 14.093 ( -5.287 -1.642 1.009) 5.627 14.237 ( -1.733 3.680 -2.581) 4.817 14.305 ( 0.388 -3.415 -2.917) 4.508 15.014 ( -0.041 0.746 -3.085) 3.174 15.032 ( -0.334 -1.184 -3.652) 3.854 15.074 ( 0.535 0.557 2.704) 2.812 15.085 ( 2.055 -0.679 1.822) 2.829 15.261 ( -2.463 1.003 0.533) 2.712 15.273 ( -3.190 -0.218 0.408) 3.223 15.325 ( 0.622 2.534 -0.573) 2.671 15.376 ( 2.437 -3.004 0.695) 3.931 19.453 ( 8.825 0.865 0.205) 8.870 19.472 ( 8.979 -1.122 0.192) 9.051 19.712 ( 11.855 2.199 0.487) 12.068 19.747 ( 12.667 -1.560 2.489) 13.004 20.323 ( -1.949 3.917 4.125) 6.014 20.392 ( -0.495 0.142 0.592) 0.784 20.444 ( -1.463 0.076 -0.687) 1.618 20.541 ( 0.503 -6.385 -5.477) 8.427 21.281 ( -3.920 4.769 3.533) 7.113 21.369 ( -0.167 0.678 -0.219) 0.732 21.395 ( -3.751 -1.395 -0.887) 4.099 21.486 ( 1.398 -6.271 -2.038) 6.740 21.731 ( -4.341 0.737 2.485) 5.056 21.762 ( -2.470 -2.563 0.871) 3.664 22.040 ( 6.231 1.168 -0.889) 6.402 22.077 ( 5.536 -2.642 -0.840) 6.191 22.261 ( -1.349 5.079 0.210) 5.259 22.293 ( 1.622 0.386 -1.287) 2.106 22.360 ( -0.495 2.885 -1.204) 3.165 22.405 ( 1.917 6.578 -0.957) 6.918 22.501 ( -4.840 -6.092 1.003) 7.845 22.567 ( -2.685 -5.644 -0.857) 6.308 22.689 ( 2.834 1.292 3.249) 4.501 22.722 ( 4.180 -2.634 2.426) 5.504 23.079 ( 0.675 1.648 -2.802) 3.320 23.091 ( 2.353 0.727 -0.050) 2.463 23.171 ( -0.540 -1.434 -0.287) 1.559 23.182 ( 1.094 -2.052 0.933) 2.506 23.475 ( 1.045 0.154 -0.130) 1.064 23.479 ( 1.805 -0.057 0.179) 1.815 23.650 ( -1.234 0.891 -0.636) 1.650 23.683 ( 0.159 -2.598 -0.860) 2.741 23.844 ( -2.461 3.469 2.274) 4.823 23.907 ( -1.981 -2.508 2.924) 4.332 23.940 ( 1.648 1.934 -0.873) 2.687 23.981 ( 0.639 -1.616 -2.422) 2.981 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 11.770 7.886 5.510) 15.201 1.072 ( 9.191 -9.762 6.640) 14.963 1.361 ( 8.858 2.178 -0.467) 9.134 1.384 ( 9.373 0.818 -6.367) 11.361 1.439 ( 8.118 4.149 6.946) 11.461 1.480 ( 9.449 2.232 -8.289) 12.767 1.562 ( 4.688 -1.951 -4.542) 6.813 1.618 ( 1.774 -7.091 3.057) 7.923 1.735 ( 4.643 2.870 0.649) 5.497 1.774 ( -1.206 -0.079 1.920) 2.269 1.861 ( -3.374 5.843 1.687) 6.955 1.899 ( -2.912 1.796 0.248) 3.430 1.929 ( -4.389 -0.165 -0.795) 4.463 2.005 ( 0.477 -7.264 0.115) 7.281 2.020 ( 3.954 1.163 -2.300) 4.720 2.048 ( 5.079 -1.662 -4.642) 7.079 2.117 ( 1.948 0.466 -1.424) 2.458 2.154 ( 2.612 -2.226 -2.262) 4.111 2.213 ( 2.856 7.727 -2.729) 8.678 2.280 ( 5.031 2.295 0.805) 5.588 2.309 ( 1.840 0.321 0.477) 1.928 2.342 ( 2.657 0.497 -1.473) 3.078 2.347 ( 3.851 -0.910 -1.321) 4.172 2.381 ( 2.570 -5.179 -2.008) 6.120 2.450 ( -1.923 -1.538 -0.449) 2.503 2.471 ( -0.642 -4.529 -3.093) 5.522 2.510 ( -2.253 1.325 3.270) 4.186 2.536 ( -3.307 -0.892 4.761) 5.865 2.599 ( 0.438 3.677 3.612) 5.173 2.662 ( 1.638 -1.222 -1.192) 2.366 2.678 ( -0.090 1.986 2.301) 3.041 2.752 ( 1.953 -3.404 4.062) 5.648 2.780 ( 2.343 4.299 4.504) 6.653 2.805 ( 3.914 2.385 -0.141) 4.586 2.862 ( 4.918 -1.982 0.027) 5.302 2.902 ( -2.186 -4.619 1.405) 5.300 2.997 ( -1.446 2.688 1.264) 3.304 3.048 ( 0.753 0.356 -3.684) 3.777 3.077 ( 0.280 1.203 2.403) 2.702 3.143 ( -1.605 -2.034 -0.468) 2.633 3.170 ( -4.482 0.201 1.161) 4.634 3.215 ( -0.535 -2.464 -2.555) 3.590 3.362 ( -3.671 3.415 3.099) 5.895 3.410 ( -3.153 -1.164 -0.064) 3.361 3.461 ( -4.479 3.865 2.521) 6.431 3.510 ( -4.001 -1.239 3.666) 5.566 3.581 ( -2.550 2.802 -0.788) 3.870 3.629 ( -1.211 1.265 -3.044) 3.512 3.668 ( -6.015 -3.977 0.755) 7.250 3.688 ( -1.378 -3.818 -0.474) 4.087 3.834 ( -4.027 1.330 -0.988) 4.355 3.835 ( -5.553 1.587 -0.457) 5.794 4.163 ( -6.098 0.655 -2.433) 6.598 4.180 ( -5.034 -1.185 -3.297) 6.133 4.383 ( -1.477 1.261 0.904) 2.142 4.399 ( -2.641 -0.881 -3.847) 4.749 4.627 ( 1.003 4.977 -0.297) 5.086 4.725 ( -2.301 -4.291 1.544) 5.108 4.781 ( 5.028 3.023 -0.410) 5.881 4.864 ( 0.069 -4.915 2.602) 5.562 4.922 ( -0.680 1.955 2.311) 3.102 4.975 ( -0.761 -3.653 1.642) 4.076 5.210 ( -1.056 2.190 -0.569) 2.497 5.272 ( -6.452 -2.706 -0.056) 6.997 5.450 ( -0.076 1.603 -0.645) 1.730 5.494 ( 3.137 -1.393 -0.956) 3.563 5.519 ( -3.229 -1.885 3.668) 5.238 5.543 ( 2.868 -2.817 -0.845) 4.108 5.709 ( 1.836 5.625 -2.103) 6.280 5.767 ( 1.054 1.008 -4.332) 4.571 5.874 ( 0.114 -2.188 2.482) 3.311 5.883 ( 0.121 -2.999 2.928) 4.193 5.954 ( -1.715 0.472 -0.612) 1.881 6.046 ( -1.922 -7.772 -0.967) 8.064 6.188 ( -3.147 1.244 3.430) 4.819 6.199 ( -4.088 0.264 3.647) 5.485 6.468 ( 2.037 6.186 -3.196) 7.255 6.546 ( 1.336 0.447 -3.310) 3.598 6.603 ( -1.069 1.789 -0.603) 2.170 6.685 ( -0.929 -4.330 0.067) 4.429 7.019 ( 2.708 5.918 1.781) 6.747 7.055 ( 5.394 2.338 -3.145) 6.667 7.265 ( -1.724 3.231 0.224) 3.669 7.365 ( -1.288 -6.696 1.081) 6.904 8.648 ( -0.080 0.862 3.285) 3.397 8.661 ( 0.229 -0.616 0.958) 1.162 8.695 ( 0.704 1.246 0.310) 1.464 8.730 ( 0.236 -2.342 -0.749) 2.470 8.768 ( 3.445 1.357 1.196) 3.891 8.794 ( 1.010 -0.579 2.948) 3.170 8.868 ( 2.364 1.441 -1.134) 2.992 8.921 ( 2.595 -3.148 0.532) 4.114 9.095 ( -4.271 2.139 0.963) 4.872 9.124 ( -3.549 -0.884 -0.890) 3.764 9.301 ( -2.316 3.395 -6.922) 8.050 9.328 ( -2.071 -0.648 -7.155) 7.476 9.373 ( -1.239 0.197 1.283) 1.795 9.386 ( 0.115 -0.483 -0.366) 0.617 9.431 ( -0.794 -0.781 0.774) 1.357 9.480 ( 0.058 -4.755 -1.932) 5.133 9.760 ( 1.483 2.398 -0.882) 2.954 9.798 ( 1.986 -1.395 1.397) 2.800 9.835 ( 1.293 1.014 -4.510) 4.800 9.869 ( 1.034 -2.338 -1.434) 2.932 9.929 ( -3.068 0.114 -0.763) 3.163 9.937 ( -3.940 -0.448 1.531) 4.251 10.122 ( -4.643 1.633 -2.246) 5.410 10.144 ( -4.132 -0.719 -1.836) 4.578 10.290 ( -0.620 1.534 5.917) 6.144 10.310 ( 0.959 -0.343 6.697) 6.774 10.531 ( 2.483 0.913 0.955) 2.813 10.555 ( 1.861 -1.651 1.592) 2.953 10.769 ( 4.058 3.205 1.905) 5.510 10.821 ( 3.219 -2.495 1.309) 4.278 10.997 ( 5.165 0.030 1.370) 5.344 11.003 ( 2.604 -0.403 0.338) 2.657 11.224 ( -0.875 0.777 -4.837) 4.977 11.237 ( -1.353 -0.568 -3.412) 3.714 11.427 ( -1.850 5.251 3.109) 6.376 11.528 ( 0.194 -5.401 3.759) 6.583 12.106 ( -1.476 3.634 1.999) 4.402 12.166 ( -1.210 -2.681 2.328) 3.752 12.298 ( 0.351 6.823 -0.708) 6.869 12.404 ( 1.564 -4.636 -2.145) 5.342 12.886 ( -1.881 0.982 0.458) 2.171 12.904 ( -1.481 -0.907 -1.754) 2.468 13.061 ( 2.179 0.966 1.193) 2.665 13.076 ( 2.615 -0.716 0.928) 2.866 13.508 ( -0.226 2.287 -0.333) 2.322 13.545 ( -0.803 -1.564 -0.500) 1.828 13.660 ( 1.103 4.921 2.533) 5.643 13.741 ( 1.386 -3.614 3.780) 5.410 13.956 ( -5.301 1.643 0.035) 5.550 13.990 ( -6.101 -1.920 0.976) 6.470 14.168 ( -2.989 4.889 -5.620) 8.026 14.252 ( -2.561 -4.088 -6.266) 7.908 15.027 ( 1.894 0.183 -2.527) 3.163 15.030 ( 2.436 -0.100 -2.151) 3.251 15.065 ( -2.382 1.469 3.067) 4.152 15.093 ( -1.602 -1.606 3.188) 3.913 15.230 ( -1.536 0.503 1.233) 2.033 15.237 ( -1.534 -0.332 1.024) 1.873 15.342 ( 1.383 3.333 -1.050) 3.758 15.404 ( 0.584 -3.301 -1.279) 3.587 19.671 ( 14.415 0.423 -0.280) 14.423 19.683 ( 13.546 -0.881 0.016) 13.575 19.945 ( 12.044 2.564 1.666) 12.426 19.981 ( 9.717 -1.255 3.632) 10.450 20.312 ( -1.902 3.171 3.459) 5.063 20.377 ( -2.529 -3.528 2.177) 4.856 20.417 ( 1.350 4.258 -4.741) 6.514 20.507 ( -0.667 -5.223 -3.930) 6.571 21.229 ( -2.722 3.022 0.691) 4.125 21.300 ( -4.571 -4.336 -0.583) 6.327 21.395 ( 2.371 5.473 -0.558) 5.991 21.511 ( 1.954 -6.614 -0.086) 6.897 21.659 ( -5.401 2.330 2.050) 6.229 21.718 ( -2.929 -3.963 0.223) 4.933 22.102 ( -0.523 1.271 -1.232) 1.846 22.111 ( -0.970 0.549 -1.438) 1.819 22.257 ( 3.370 6.581 -0.815) 7.439 22.334 ( 1.609 2.468 -0.111) 2.948 22.362 ( 2.984 -2.659 -0.223) 4.003 22.443 ( 2.652 0.386 -2.519) 3.677 22.474 ( 1.228 -4.272 1.314) 4.636 22.546 ( 0.890 -3.538 -0.618) 3.700 22.734 ( -0.750 2.346 3.617) 4.376 22.773 ( -0.757 -2.138 2.507) 3.381 23.064 ( -0.005 1.730 -2.331) 2.903 23.116 ( 1.672 -3.486 -1.921) 4.318 23.167 ( 0.164 2.407 0.357) 2.439 23.224 ( 1.979 -3.423 1.235) 4.142 23.501 ( 1.743 0.821 0.142) 1.932 23.523 ( 2.944 -1.366 0.120) 3.247 23.620 ( -1.418 1.780 -1.258) 2.600 23.664 ( -1.370 -3.224 -1.287) 3.732 23.830 ( -0.397 3.916 1.803) 4.330 23.891 ( -1.315 -2.205 1.705) 3.082 23.957 ( 0.763 1.202 -0.568) 1.533 23.977 ( -0.291 -0.347 -0.392) 0.599 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 8.871 4.846 7.322) 12.481 1.242 ( 4.625 -6.532 7.010) 10.639 1.440 ( 0.667 0.017 -8.492) 8.519 1.451 ( 2.626 -1.502 -5.595) 6.360 1.509 ( -3.856 3.104 2.418) 5.509 1.551 ( 3.525 3.400 -7.628) 9.065 1.590 ( 0.556 0.166 -1.738) 1.832 1.631 ( 2.112 -2.488 -2.304) 3.995 1.701 ( -2.280 4.956 -1.882) 5.771 1.764 ( -3.164 -2.015 -1.786) 4.155 1.840 ( 0.925 5.369 6.510) 8.488 1.910 ( 1.554 2.943 3.305) 4.690 1.959 ( 5.252 -1.378 5.695) 7.869 2.036 ( 0.941 -5.642 2.206) 6.131 2.046 ( 2.004 0.158 -2.219) 2.994 2.076 ( 1.809 -2.242 -3.462) 4.504 2.189 ( 1.087 1.936 2.299) 3.196 2.213 ( 4.681 -1.111 0.349) 4.824 2.246 ( 1.136 1.217 -2.467) 2.976 2.285 ( -1.984 -1.210 -3.132) 3.900 2.312 ( -1.438 1.741 -3.463) 4.135 2.346 ( 1.495 -0.356 0.139) 1.543 2.374 ( -1.305 -0.358 -2.174) 2.560 2.410 ( 1.238 -1.794 0.243) 2.193 2.457 ( -1.362 -1.812 -1.560) 2.751 2.462 ( 1.092 -1.222 -1.751) 2.399 2.524 ( 3.997 0.863 1.938) 4.525 2.548 ( 4.530 -1.301 4.072) 6.228 2.659 ( 0.754 1.127 1.624) 2.116 2.689 ( -1.346 -1.677 -1.927) 2.887 2.736 ( -6.143 1.801 -0.134) 6.403 2.741 ( 2.277 -0.278 4.044) 4.649 2.811 ( 0.897 2.249 6.066) 6.531 2.838 ( 2.289 -0.383 -0.199) 2.330 2.845 ( -0.251 -3.575 -0.847) 3.683 2.892 ( -0.822 -3.292 4.028) 5.266 3.007 ( -2.495 2.818 -0.525) 3.800 3.058 ( -0.028 -0.999 -1.241) 1.593 3.078 ( -0.843 0.969 0.294) 1.318 3.120 ( -0.888 -1.759 -0.907) 2.169 3.191 ( 4.725 0.653 -0.934) 4.860 3.213 ( -0.514 -1.064 0.130) 1.188 3.319 ( -1.300 5.673 3.047) 6.570 3.374 ( 2.507 0.912 0.256) 2.680 3.435 ( -0.508 4.473 3.012) 5.417 3.505 ( -0.145 -0.826 4.712) 4.786 3.526 ( -4.110 0.289 -0.392) 4.139 3.591 ( -3.914 -3.209 0.585) 5.095 3.612 ( 1.017 0.025 -3.601) 3.742 3.652 ( 0.390 -3.343 -2.486) 4.185 3.727 ( -3.699 4.218 -0.949) 5.690 3.753 ( -4.300 0.911 -0.227) 4.401 4.059 ( -4.110 0.683 0.254) 4.174 4.098 ( -2.405 -3.503 -1.573) 4.531 4.294 ( -2.911 -0.135 -5.344) 6.087 4.313 ( -3.656 -2.006 -3.657) 5.547 4.675 ( 3.259 3.896 0.436) 5.098 4.704 ( -2.124 1.281 2.544) 3.553 4.825 ( -2.207 -1.633 2.005) 3.400 4.851 ( 3.185 -4.202 -2.856) 5.997 5.006 ( 6.428 3.133 1.425) 7.291 5.067 ( 3.798 -3.569 3.621) 6.346 5.146 ( -5.500 2.039 0.638) 5.900 5.182 ( -1.929 -2.278 -0.074) 2.986 5.460 ( 0.564 0.409 1.003) 1.221 5.481 ( -2.295 -2.178 3.161) 4.472 5.538 ( 1.073 2.200 3.378) 4.172 5.591 ( 1.686 -2.694 0.741) 3.264 5.701 ( -0.246 2.809 -4.202) 5.060 5.725 ( -1.667 0.124 -5.710) 5.950 5.850 ( -2.842 1.773 1.789) 3.798 5.886 ( -0.479 -0.222 -0.103) 0.538 5.917 ( -0.036 -3.235 -0.438) 3.265 5.973 ( -4.071 -6.360 -0.508) 7.569 6.209 ( 1.636 2.421 4.626) 5.472 6.243 ( 3.496 -0.980 3.352) 4.942 6.502 ( 3.348 5.504 -5.357) 8.379 6.541 ( -4.171 4.459 1.236) 6.230 6.591 ( 5.613 -3.242 -5.007) 8.190 6.633 ( -4.590 -4.564 0.503) 6.493 7.067 ( -0.067 8.313 3.698) 9.099 7.129 ( 3.562 4.832 -2.616) 6.548 7.254 ( 0.938 -2.146 0.283) 2.359 7.324 ( -2.928 -6.556 -0.591) 7.204 8.650 ( -1.719 0.231 3.743) 4.125 8.660 ( -0.781 -0.732 1.450) 1.803 8.709 ( 0.082 0.663 1.453) 1.599 8.733 ( -0.808 -1.974 1.489) 2.602 8.820 ( 1.566 1.895 -0.271) 2.473 8.836 ( 3.714 0.239 -2.678) 4.585 8.910 ( 2.322 0.452 0.076) 2.367 8.950 ( -0.605 -3.270 0.095) 3.327 9.033 ( -2.747 2.328 1.187) 3.792 9.069 ( -0.937 -1.211 -1.177) 1.932 9.208 ( -1.714 1.730 -6.749) 7.175 9.236 ( -2.021 -1.354 -6.577) 7.012 9.382 ( 0.864 1.053 1.252) 1.850 9.406 ( 0.943 0.627 0.781) 1.375 9.429 ( -0.300 -1.107 0.683) 1.335 9.475 ( 0.384 -3.968 -1.730) 4.346 9.785 ( 1.449 3.840 -0.409) 4.125 9.815 ( -1.819 1.333 -0.217) 2.265 9.833 ( -2.719 -0.903 1.377) 3.179 9.853 ( 2.470 -3.643 -1.122) 4.543 9.904 ( 0.843 1.232 -0.588) 1.604 9.936 ( 2.913 -1.763 -1.824) 3.863 10.026 ( -4.433 0.483 -0.204) 4.464 10.053 ( -4.550 -2.283 -0.737) 5.143 10.337 ( 1.321 2.724 4.730) 5.616 10.366 ( 0.957 -0.210 3.516) 3.650 10.585 ( 2.723 0.188 1.015) 2.912 10.600 ( 2.453 -1.297 0.519) 2.823 10.768 ( -2.937 1.376 -0.416) 3.270 10.796 ( -3.340 -1.584 -1.348) 3.935 11.079 ( 3.723 2.512 1.031) 4.608 11.109 ( 2.435 -0.917 -0.164) 2.607 11.214 ( 4.639 4.376 -0.182) 6.380 11.298 ( 7.173 -4.311 2.478) 8.728 11.372 ( -5.463 6.588 0.729) 8.590 11.500 ( -5.219 -6.716 0.274) 8.510 12.124 ( 1.416 3.699 4.068) 5.678 12.187 ( 0.804 -2.660 4.945) 5.673 12.280 ( -0.847 5.987 -2.726) 6.632 12.383 ( -1.321 -4.844 -4.690) 6.871 12.853 ( -1.617 0.812 -0.128) 1.814 12.866 ( -1.075 -0.618 -1.802) 2.187 13.110 ( 1.729 0.934 2.053) 2.842 13.121 ( 1.182 -0.248 1.492) 1.919 13.519 ( 1.438 1.664 0.183) 2.206 13.540 ( -0.035 -0.306 -0.119) 0.330 13.688 ( 0.872 3.988 2.056) 4.571 13.750 ( -2.151 -2.134 0.378) 3.053 13.904 ( -1.684 0.828 3.074) 3.602 13.927 ( -1.851 -1.721 3.731) 4.506 14.080 ( -1.776 4.240 -7.308) 8.633 14.157 ( -2.290 -3.939 -8.455) 9.605 15.018 ( -1.803 0.905 1.125) 2.310 15.027 ( -0.438 0.021 -0.593) 0.737 15.094 ( 1.778 0.410 1.800) 2.563 15.108 ( 1.254 -0.848 1.436) 2.087 15.231 ( 0.340 0.483 2.195) 2.273 15.242 ( 1.189 -0.712 2.837) 3.158 15.340 ( -0.298 1.896 -2.958) 3.526 15.377 ( -1.782 -2.101 -3.072) 4.127 19.876 ( 6.584 -0.059 0.271) 6.590 19.879 ( 7.192 -0.380 -0.162) 7.204 20.099 ( 3.448 1.251 1.501) 3.964 20.111 ( 4.690 0.052 0.589) 4.727 20.312 ( -0.311 2.299 3.257) 3.998 20.351 ( -1.062 -1.805 1.238) 2.433 20.416 ( 0.863 2.559 -3.053) 4.076 20.466 ( -1.867 -2.624 -2.721) 4.216 21.209 ( -0.079 0.527 0.612) 0.812 21.232 ( -2.995 -1.880 0.351) 3.554 21.456 ( 4.914 4.733 -0.117) 6.823 21.531 ( -2.349 -0.091 0.741) 2.465 21.595 ( -0.431 -1.328 0.833) 1.626 21.662 ( -3.314 -5.684 -0.582) 6.605 22.061 ( -1.447 2.058 -1.233) 2.801 22.069 ( -1.553 1.383 -1.472) 2.548 22.321 ( 2.791 5.516 -0.549) 6.206 22.341 ( -0.473 2.405 0.493) 2.500 22.403 ( -0.230 -4.037 2.125) 4.568 22.452 ( 1.315 -6.476 -2.787) 7.172 22.561 ( 6.369 0.664 -0.160) 6.406 22.591 ( 3.685 -1.589 -0.240) 4.021 22.699 ( -4.494 1.616 2.035) 5.191 22.730 ( -4.584 -1.771 0.816) 4.982 23.066 ( 1.565 3.359 -0.134) 3.708 23.127 ( -0.671 -0.457 -1.012) 1.297 23.183 ( 2.091 -1.290 0.713) 2.558 23.244 ( -0.337 -5.165 -0.327) 5.186 23.534 ( 1.819 1.602 0.385) 2.454 23.574 ( 2.492 -2.455 0.233) 3.507 23.588 ( -1.070 1.896 -1.784) 2.815 23.628 ( -1.726 -2.590 -1.191) 3.332 23.847 ( 0.561 2.320 2.066) 3.157 23.879 ( -1.390 -0.943 1.346) 2.152 23.963 ( 0.094 1.106 -0.146) 1.120 23.968 ( 0.184 0.694 -0.949) 1.190 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -6.928 2.628 5.913) 9.479 1.294 ( -4.706 -1.985 6.451) 8.228 1.332 ( -2.539 0.025 -6.246) 6.743 1.351 ( -5.523 -0.889 -0.405) 5.609 1.455 ( -5.582 3.807 0.440) 6.771 1.544 ( -2.190 -1.500 -0.416) 2.687 1.591 ( 3.987 1.792 -2.755) 5.167 1.621 ( 0.093 -3.293 -2.868) 4.368 1.717 ( 5.316 3.577 -4.011) 7.559 1.767 ( 4.176 -1.465 -1.411) 4.645 1.923 ( -1.628 6.433 3.688) 7.592 1.981 ( -0.157 1.619 -2.617) 3.082 1.988 ( 2.814 1.286 1.224) 3.327 1.990 ( 1.007 1.139 -1.675) 2.262 2.062 ( -8.538 -0.458 1.483) 8.678 2.114 ( -2.382 -5.525 -0.597) 6.046 2.161 ( -4.796 1.422 1.168) 5.137 2.197 ( -1.321 1.891 0.950) 2.494 2.223 ( -5.738 -3.282 0.545) 6.633 2.250 ( 1.971 -1.689 1.610) 3.054 2.269 ( 0.285 3.263 -0.652) 3.340 2.333 ( 3.265 -3.097 0.125) 4.502 2.361 ( -4.475 1.968 0.661) 4.933 2.413 ( -2.954 -1.777 1.649) 3.822 2.423 ( -4.178 -2.742 -0.916) 5.081 2.441 ( -2.872 -3.079 -1.970) 4.649 2.562 ( -3.081 2.152 -1.171) 3.937 2.601 ( -4.162 -1.622 -0.859) 4.549 2.630 ( 5.388 0.354 1.599) 5.632 2.647 ( 1.858 -2.287 2.754) 4.033 2.704 ( -4.299 3.164 4.568) 7.025 2.768 ( -1.315 0.410 2.678) 3.012 2.774 ( -3.212 -2.359 3.014) 4.996 2.847 ( 0.694 -5.357 1.164) 5.525 2.935 ( -0.007 1.683 -4.441) 4.749 2.948 ( 3.735 1.018 -1.344) 4.098 2.995 ( 0.584 1.717 0.719) 1.950 3.022 ( 3.071 -2.007 2.298) 4.329 3.074 ( -1.372 1.007 0.807) 1.884 3.114 ( 2.971 -2.525 -2.352) 4.554 3.190 ( 0.090 2.704 0.038) 2.706 3.225 ( 0.574 -1.185 -1.320) 1.865 3.315 ( -4.241 6.411 3.860) 8.601 3.394 ( -2.273 0.453 -2.686) 3.548 3.438 ( -1.926 4.371 3.103) 5.695 3.508 ( 3.099 1.238 2.225) 4.011 3.542 ( 0.970 -2.483 1.992) 3.328 3.584 ( 1.417 2.467 -4.023) 4.928 3.594 ( 3.759 -2.109 1.992) 4.748 3.661 ( 1.354 -3.831 -3.749) 5.528 3.749 ( 6.474 1.940 -2.039) 7.060 3.771 ( 7.109 0.463 -2.227) 7.464 4.050 ( 1.881 0.380 2.351) 3.035 4.077 ( 1.401 -2.425 -1.153) 3.029 4.263 ( 1.832 0.032 -1.923) 2.656 4.296 ( 4.951 -3.271 -2.054) 6.279 4.656 ( -3.920 3.547 1.255) 5.433 4.718 ( -0.029 -1.438 1.434) 2.031 4.813 ( 0.575 2.211 -0.339) 2.310 4.904 ( 4.688 -5.814 -3.911) 8.431 5.023 ( -4.161 4.332 -0.529) 6.030 5.107 ( -2.037 -4.510 -0.271) 4.956 5.134 ( 3.808 2.561 1.600) 4.860 5.176 ( 1.536 -2.076 0.958) 2.755 5.458 ( -2.122 0.660 1.967) 2.968 5.492 ( 0.127 -2.658 1.056) 2.863 5.545 ( -4.179 3.941 5.106) 7.685 5.603 ( -2.141 -2.194 1.818) 3.564 5.653 ( -0.027 1.700 -1.594) 2.330 5.690 ( 3.026 -2.043 -5.111) 6.281 5.866 ( 2.208 1.433 0.710) 2.726 5.897 ( 1.257 -0.458 -0.828) 1.573 5.939 ( 4.864 -2.607 -2.507) 6.061 5.980 ( 5.646 -4.925 -1.207) 7.589 6.244 ( -1.471 2.752 2.944) 4.291 6.277 ( -1.104 -0.487 -0.213) 1.225 6.443 ( -4.584 3.832 0.743) 6.021 6.512 ( -2.825 -2.535 -0.541) 3.834 6.591 ( 1.993 4.217 -2.191) 5.153 6.671 ( 5.425 -3.577 -3.297) 7.287 7.036 ( -5.911 7.832 4.628) 10.849 7.130 ( -3.936 1.871 0.052) 4.359 7.241 ( -0.036 0.443 0.152) 0.470 7.342 ( 4.309 -6.404 -1.685) 7.900 8.640 ( -2.408 -0.023 4.197) 4.838 8.653 ( -1.631 -1.367 2.709) 3.445 8.711 ( -0.876 0.354 0.933) 1.328 8.722 ( -1.319 -0.998 1.560) 2.274 8.834 ( 0.981 2.112 -2.549) 3.453 8.866 ( 2.181 0.048 -3.824) 4.402 8.915 ( -1.688 0.460 -0.321) 1.779 8.956 ( 2.768 -2.114 0.002) 3.483 9.017 ( -0.560 2.899 3.012) 4.218 9.081 ( 2.051 -2.840 -1.484) 3.805 9.169 ( 0.717 0.613 -2.405) 2.584 9.196 ( 1.714 -1.543 -4.524) 5.078 9.382 ( -2.062 1.034 0.543) 2.370 9.413 ( -2.926 -2.275 1.831) 4.134 9.426 ( 2.006 2.627 -0.954) 3.440 9.486 ( 2.417 -3.550 -2.089) 4.776 9.764 ( -3.358 2.599 2.189) 4.777 9.782 ( -2.348 0.993 1.197) 2.816 9.831 ( 0.838 -0.054 0.308) 0.895 9.872 ( -0.185 -3.084 -0.844) 3.203 9.906 ( 0.204 3.091 -2.068) 3.724 9.962 ( 0.913 -2.279 -2.755) 3.690 10.016 ( 2.393 -1.096 1.246) 2.912 10.027 ( 3.093 -2.295 1.641) 4.187 10.377 ( 0.375 2.790 1.016) 2.993 10.396 ( 1.760 1.187 0.327) 2.147 10.611 ( -0.409 -0.549 -0.683) 0.967 10.617 ( -1.191 -0.805 -1.960) 2.431 10.750 ( 0.358 -0.401 1.718) 1.801 10.757 ( 1.535 -1.206 2.022) 2.810 11.092 ( -2.752 1.522 -0.280) 3.157 11.103 ( -1.199 0.299 0.371) 1.290 11.227 ( -7.865 6.795 -1.101) 10.452 11.338 ( -0.315 -0.398 -0.761) 0.915 11.378 ( -0.713 -0.161 -0.311) 0.794 11.475 ( 7.369 -5.873 2.694) 9.800 12.194 ( 2.003 3.758 3.088) 5.260 12.204 ( -0.181 4.310 -1.373) 4.527 12.281 ( 1.130 -2.165 3.859) 4.567 12.311 ( -2.167 -3.827 -5.276) 6.868 12.838 ( -0.240 1.041 0.763) 1.313 12.855 ( 0.850 -0.833 -0.687) 1.375 13.121 ( -1.693 0.964 0.979) 2.180 13.136 ( -0.560 -0.555 0.538) 0.954 13.530 ( -0.603 1.714 -0.911) 2.032 13.548 ( 1.459 -0.050 -0.686) 1.614 13.715 ( -0.286 2.587 -0.970) 2.778 13.737 ( 3.360 0.228 1.304) 3.611 13.923 ( 0.955 2.240 5.726) 6.222 13.965 ( 1.737 -1.765 3.642) 4.404 14.031 ( 0.768 1.407 -2.923) 3.333 14.079 ( -0.109 -3.115 -8.282) 8.849 15.000 ( -1.341 1.389 1.739) 2.599 15.024 ( -0.291 -1.077 0.800) 1.373 15.120 ( 1.038 0.915 -0.710) 1.555 15.138 ( 1.823 -0.958 -1.207) 2.387 15.258 ( -0.328 1.300 1.956) 2.371 15.280 ( -0.282 -0.568 -0.563) 0.848 15.316 ( -0.010 -0.086 -0.499) 0.506 15.327 ( 0.505 -0.893 -1.077) 1.487 19.870 ( -7.388 0.257 0.552) 7.413 19.879 ( -6.938 -0.776 0.045) 6.982 20.119 ( -1.947 2.397 -0.670) 3.160 20.147 ( 0.332 -0.772 -2.516) 2.652 20.321 ( -1.451 1.382 3.505) 4.037 20.342 ( -1.084 -0.565 1.083) 1.633 20.411 ( -1.998 0.705 -2.265) 3.102 20.433 ( 2.069 -1.429 0.185) 2.522 21.196 ( -1.789 0.650 1.477) 2.409 21.227 ( 0.999 -2.452 1.046) 2.847 21.459 ( -3.768 5.591 -0.308) 6.749 21.549 ( 4.107 -0.464 -0.666) 4.186 21.606 ( -0.611 -3.099 -0.010) 3.159 21.644 ( 3.078 -3.668 0.776) 4.851 22.050 ( 1.005 2.732 -0.365) 2.934 22.066 ( 2.047 0.863 -1.208) 2.529 22.307 ( -3.115 3.789 0.733) 4.959 22.351 ( -0.016 3.925 -0.282) 3.935 22.396 ( -1.707 -4.912 2.365) 5.712 22.447 ( -1.085 -5.946 -1.989) 6.363 22.554 ( -6.271 1.878 0.580) 6.572 22.586 ( -4.087 -1.723 0.168) 4.438 22.718 ( 4.523 -0.079 0.636) 4.568 22.730 ( 5.199 -1.844 0.571) 5.546 23.080 ( -2.621 4.106 -1.333) 5.051 23.111 ( 2.335 2.670 0.245) 3.555 23.200 ( -3.243 -4.524 -0.594) 5.598 23.234 ( 1.530 -5.667 0.438) 5.886 23.550 ( -1.362 2.102 -0.963) 2.684 23.572 ( 1.161 1.264 -0.052) 1.717 23.589 ( -1.440 -1.938 -1.554) 2.871 23.614 ( 1.826 -2.892 0.202) 3.426 23.852 ( -2.042 1.683 1.692) 3.141 23.870 ( -0.234 -0.334 1.950) 1.992 23.959 ( 0.095 2.158 -0.520) 2.222 23.982 ( 1.881 -0.214 -1.340) 2.319 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -13.661 6.892 -2.513) 15.506 1.161 ( -9.773 -4.460 1.326) 10.825 1.259 ( -10.429 1.515 5.206) 11.754 1.290 ( -3.313 2.221 0.669) 4.045 1.370 ( -4.607 -1.577 -0.329) 4.880 1.437 ( -8.145 -5.314 2.490) 10.039 1.613 ( -1.193 3.191 -4.964) 6.020 1.667 ( 3.522 -1.687 -1.171) 4.077 1.709 ( -10.699 6.758 2.844) 12.970 1.817 ( 1.892 -2.860 1.461) 3.727 1.873 ( 0.386 4.576 1.948) 4.988 1.886 ( -6.519 6.407 -3.525) 9.797 1.949 ( -1.125 -0.420 0.402) 1.266 1.975 ( -3.959 -2.912 -0.379) 4.929 2.034 ( -0.861 -1.219 -2.102) 2.578 2.047 ( -2.606 -2.103 -3.705) 4.994 2.079 ( -2.926 -3.226 0.928) 4.453 2.094 ( -2.540 -4.012 3.172) 5.710 2.187 ( -2.720 5.333 0.289) 5.994 2.262 ( -3.886 0.747 2.248) 4.552 2.301 ( -2.268 2.132 0.962) 3.258 2.319 ( -2.244 -0.555 0.947) 2.498 2.337 ( -1.560 -1.322 1.028) 2.289 2.346 ( -2.261 -6.142 1.242) 6.661 2.411 ( 3.300 -0.001 1.841) 3.779 2.441 ( 4.424 -2.545 0.320) 5.114 2.499 ( -4.653 1.267 2.023) 5.229 2.534 ( -2.416 -2.317 3.712) 4.999 2.616 ( -2.670 1.620 1.040) 3.292 2.655 ( -0.232 -1.574 0.594) 1.698 2.746 ( -1.371 3.360 -0.592) 3.677 2.767 ( 2.584 2.801 2.020) 4.313 2.809 ( 0.986 -1.076 1.214) 1.898 2.838 ( -0.425 -2.035 0.473) 2.132 2.879 ( -1.054 2.402 -4.459) 5.173 2.931 ( -1.305 -1.229 -0.896) 2.004 2.979 ( -4.441 1.295 1.876) 4.992 3.015 ( -4.231 -2.456 -1.519) 5.123 3.121 ( 2.849 0.947 -0.828) 3.115 3.153 ( 2.746 -0.264 -2.837) 3.957 3.184 ( 0.601 2.890 0.136) 2.955 3.250 ( 6.296 -2.562 -4.233) 8.008 3.360 ( 5.097 2.451 4.833) 7.439 3.409 ( 3.757 -0.973 -0.114) 3.882 3.423 ( -1.130 4.144 3.546) 5.570 3.529 ( -0.192 -5.486 0.457) 5.508 3.588 ( 4.156 5.170 0.250) 6.638 3.620 ( 3.483 2.128 -2.012) 4.550 3.673 ( 2.624 -2.544 1.009) 3.792 3.708 ( 5.306 -2.810 -1.315) 6.147 3.851 ( 5.311 1.157 -3.679) 6.563 3.869 ( 5.481 -0.445 -2.945) 6.238 4.121 ( 3.913 -0.316 1.584) 4.233 4.130 ( 4.217 -1.081 0.691) 4.408 4.349 ( 7.031 2.429 1.021) 7.509 4.405 ( 7.007 -3.174 -1.290) 7.800 4.602 ( -2.799 4.798 1.241) 5.692 4.706 ( -1.958 -5.943 2.362) 6.688 4.813 ( 0.016 6.177 -2.465) 6.651 4.930 ( -0.856 -5.587 -2.266) 6.089 4.992 ( 3.357 0.907 -5.409) 6.430 5.038 ( 0.534 -3.573 -4.388) 5.684 5.195 ( -0.256 3.961 0.894) 4.069 5.257 ( 6.587 -1.312 1.636) 6.913 5.411 ( -5.337 -0.876 3.864) 6.647 5.434 ( -5.967 -2.298 4.367) 7.743 5.534 ( -0.411 0.311 1.387) 1.480 5.572 ( -0.011 -1.864 -1.549) 2.423 5.669 ( 0.116 3.274 0.914) 3.401 5.736 ( 3.448 -1.768 -2.510) 4.616 5.875 ( -0.398 1.354 1.263) 1.894 5.949 ( 2.346 -4.903 0.634) 5.472 5.990 ( 1.991 1.089 -5.342) 5.804 6.056 ( 0.079 -5.975 -2.428) 6.450 6.237 ( 3.483 2.778 -1.146) 4.600 6.267 ( 3.656 -0.434 -2.329) 4.357 6.408 ( -0.496 4.134 2.182) 4.700 6.475 ( -1.448 -2.523 2.749) 4.003 6.612 ( 0.774 6.038 -1.308) 6.227 6.707 ( 0.113 -3.960 -2.048) 4.459 6.960 ( -5.377 6.315 4.839) 9.603 7.033 ( -5.058 -0.097 1.490) 5.274 7.279 ( 3.182 3.917 -1.255) 5.200 7.385 ( 1.121 -6.472 -0.761) 6.612 8.616 ( -3.761 0.585 4.769) 6.101 8.636 ( -2.719 -1.586 3.875) 4.993 8.702 ( -0.167 0.226 0.224) 0.359 8.710 ( -0.356 -0.706 -0.237) 0.826 8.819 ( -1.005 1.370 -2.659) 3.156 8.854 ( -1.955 -2.120 -1.856) 3.429 8.895 ( 1.068 4.208 -3.635) 5.663 8.974 ( -0.446 -4.143 -3.095) 5.190 9.065 ( 3.013 3.084 4.112) 5.958 9.112 ( 2.934 -1.790 -0.527) 3.477 9.204 ( 3.038 1.611 1.556) 3.774 9.239 ( 4.612 -1.533 -0.430) 4.879 9.345 ( -2.690 0.453 2.004) 3.385 9.373 ( -2.166 -3.043 3.802) 5.329 9.457 ( 2.592 2.714 -2.790) 4.676 9.507 ( 1.546 -2.612 -3.285) 4.473 9.731 ( -1.566 1.851 2.140) 3.234 9.752 ( -2.181 -0.236 2.909) 3.644 9.828 ( -0.715 0.114 -1.636) 1.789 9.846 ( -1.009 -1.536 0.378) 1.876 9.939 ( 3.858 1.233 -1.060) 4.187 9.975 ( 3.176 -1.846 -2.134) 4.248 10.085 ( 3.138 0.243 1.398) 3.443 10.105 ( 3.307 -2.094 2.569) 4.682 10.373 ( 0.220 3.574 -2.805) 4.549 10.413 ( 0.475 -0.117 -3.190) 3.228 10.565 ( -1.562 1.320 -2.261) 3.049 10.593 ( -0.004 -1.472 -1.798) 2.323 10.776 ( -1.235 1.350 1.435) 2.325 10.810 ( -0.455 -2.249 2.520) 3.408 11.023 ( -3.834 0.810 -1.172) 4.090 11.032 ( -4.671 -0.321 -2.263) 5.200 11.141 ( -1.729 3.701 2.933) 5.029 11.214 ( -4.152 -4.201 -0.802) 5.961 11.464 ( 3.380 5.625 -0.541) 6.585 11.568 ( 1.942 -5.316 -0.138) 5.661 12.163 ( 0.007 4.246 -3.644) 5.595 12.230 ( -1.431 -2.920 -4.302) 5.393 12.273 ( 2.273 4.439 2.370) 5.521 12.341 ( 0.520 -2.792 4.417) 5.252 12.848 ( -0.265 1.596 2.738) 3.180 12.879 ( 1.376 -1.726 0.613) 2.290 13.080 ( -2.649 1.004 -0.413) 2.863 13.103 ( -2.588 -1.297 -0.955) 3.048 13.518 ( 0.217 2.391 -1.142) 2.659 13.558 ( 0.913 -1.814 -1.381) 2.456 13.717 ( 0.579 5.665 -3.191) 6.527 13.788 ( 1.255 -2.256 -0.935) 2.746 13.997 ( 3.239 1.691 -3.311) 4.931 14.024 ( 6.107 2.548 5.975) 8.915 14.049 ( 2.229 -0.707 -2.122) 3.158 14.110 ( 4.435 -3.413 6.183) 8.340 14.984 ( -2.074 1.087 1.687) 2.886 15.006 ( -2.997 -1.253 0.740) 3.331 15.121 ( 0.744 1.439 -2.536) 3.010 15.149 ( 0.615 -1.635 -2.366) 2.941 15.243 ( -0.111 1.216 0.110) 1.226 15.262 ( 0.265 -0.731 -1.256) 1.477 15.328 ( 1.193 2.554 0.024) 2.819 15.374 ( 1.794 -2.400 1.628) 3.410 19.670 ( -13.779 0.457 -0.037) 13.787 19.684 ( -13.544 -1.104 -0.020) 13.589 19.991 ( -11.411 5.185 -2.576) 12.796 20.071 ( -7.338 -3.228 -5.225) 9.569 20.325 ( -1.960 1.732 4.105) 4.867 20.345 ( 1.221 0.209 2.477) 2.769 20.379 ( -0.240 1.962 -1.084) 2.254 20.469 ( 2.053 -7.074 1.045) 7.439 21.190 ( -0.346 2.219 3.317) 4.006 21.252 ( 0.259 -4.341 3.497) 5.580 21.420 ( 0.219 6.456 -2.280) 6.850 21.547 ( 0.381 -7.214 -2.729) 7.722 21.675 ( 4.538 1.280 1.051) 4.831 21.702 ( 2.570 -1.646 1.333) 3.330 22.087 ( 2.304 2.779 0.059) 3.611 22.097 ( 0.758 0.826 -0.516) 1.234 22.244 ( -3.478 5.409 0.448) 6.446 22.319 ( -4.076 2.394 1.314) 4.906 22.351 ( -5.928 -3.884 0.678) 7.119 22.395 ( -0.787 -2.474 2.178) 3.389 22.498 ( -0.451 -0.155 -0.687) 0.836 22.540 ( -0.482 -3.637 -0.172) 3.673 22.789 ( 2.294 0.517 -0.772) 2.475 22.805 ( 2.371 -1.512 -0.762) 2.914 23.030 ( -2.177 2.132 0.898) 3.177 23.098 ( -4.614 -5.341 -0.547) 7.080 23.167 ( 0.874 4.029 0.277) 4.132 23.244 ( -0.433 -4.238 -0.744) 4.325 23.511 ( -1.920 1.440 -1.038) 2.615 23.537 ( -2.610 -1.456 -1.056) 3.170 23.609 ( 2.164 0.979 -0.302) 2.394 23.645 ( 1.430 -3.091 0.711) 3.480 23.829 ( -1.439 3.383 1.699) 4.050 23.876 ( -0.833 -1.707 2.772) 3.360 23.959 ( 0.452 3.139 -1.204) 3.392 24.008 ( 2.122 -1.986 -2.242) 3.671 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -10.156 9.837 -4.295) 14.777 0.988 ( -10.420 -11.785 -6.657) 17.082 1.066 ( -12.008 8.332 10.489) 17.990 1.230 ( -9.215 -8.913 2.711) 13.104 1.240 ( -3.525 5.838 -0.504) 6.839 1.352 ( -3.855 -5.879 -1.585) 7.207 1.528 ( -5.134 4.583 0.757) 6.923 1.555 ( -2.906 7.227 -1.093) 7.865 1.682 ( -3.232 0.152 -1.410) 3.530 1.748 ( -6.314 6.734 0.326) 9.237 1.800 ( -3.346 -2.443 1.644) 4.458 1.870 ( -1.974 -5.221 3.119) 6.394 1.955 ( 0.119 -1.743 3.875) 4.251 1.964 ( 1.611 -1.117 2.781) 3.403 2.027 ( 0.355 0.488 -1.530) 1.644 2.036 ( 0.946 -0.293 -2.371) 2.569 2.066 ( 0.225 1.067 3.575) 3.738 2.100 ( 1.359 -3.345 3.161) 4.798 2.155 ( -2.249 1.187 1.611) 3.010 2.189 ( -2.086 -0.186 -1.263) 2.445 2.272 ( -2.504 -2.051 -0.568) 3.286 2.278 ( -1.431 -1.249 -0.120) 1.904 2.327 ( -1.085 3.155 1.846) 3.813 2.372 ( 2.423 -1.880 1.146) 3.274 2.403 ( -0.837 0.898 1.564) 1.988 2.465 ( -0.192 -4.880 1.680) 5.165 2.524 ( 1.687 3.605 3.374) 5.218 2.578 ( 2.553 -1.461 4.164) 5.098 2.638 ( 1.177 3.130 1.069) 3.511 2.677 ( -0.090 0.349 1.994) 2.027 2.725 ( 1.598 1.812 -2.627) 3.569 2.744 ( -3.238 1.746 -3.702) 5.219 2.784 ( -3.836 -0.653 -2.259) 4.500 2.792 ( 0.805 -1.236 -3.769) 4.048 2.862 ( -0.832 4.133 -1.988) 4.661 2.885 ( -3.029 1.110 -0.209) 3.233 2.943 ( -2.125 0.057 2.259) 3.101 2.986 ( 2.073 -2.620 -0.663) 3.407 3.122 ( 0.231 -1.374 -2.314) 2.701 3.130 ( -2.476 -1.520 -0.005) 2.905 3.286 ( 6.976 0.551 -0.062) 6.998 3.330 ( 4.686 -2.996 -2.525) 6.108 3.413 ( 1.852 3.398 -0.594) 3.915 3.472 ( 2.198 -1.945 1.426) 3.263 3.486 ( 3.063 3.638 2.365) 5.311 3.564 ( 0.761 -3.215 2.365) 4.063 3.614 ( 0.480 3.284 -0.281) 3.330 3.673 ( -0.860 -2.924 -0.397) 3.074 3.728 ( 6.801 3.939 -0.878) 7.908 3.800 ( 5.511 -2.763 -0.687) 6.203 3.880 ( 1.004 1.551 -2.253) 2.913 3.919 ( 1.911 -2.186 -1.739) 3.384 4.189 ( 1.970 0.751 3.153) 3.793 4.207 ( 3.400 -0.997 1.619) 3.896 4.438 ( 2.366 2.221 -2.682) 4.210 4.476 ( 3.032 -1.034 -5.376) 6.258 4.576 ( -2.225 3.894 1.628) 4.771 4.668 ( -3.524 -4.425 -0.714) 5.702 4.844 ( 5.116 2.210 -0.763) 5.625 4.894 ( 1.914 -2.848 -1.925) 3.935 5.063 ( 8.082 -0.318 -3.810) 8.940 5.079 ( 3.540 -2.482 0.077) 4.324 5.178 ( -0.731 3.447 -0.660) 3.585 5.280 ( -5.895 -5.561 2.436) 8.462 5.378 ( -1.037 -1.188 3.210) 3.577 5.393 ( -3.384 -2.470 3.237) 5.295 5.519 ( -0.936 1.133 -1.310) 1.968 5.570 ( -0.753 -3.750 -1.886) 4.264 5.662 ( 0.211 6.429 0.505) 6.452 5.749 ( -0.605 0.970 -1.353) 1.771 5.871 ( -0.206 -0.540 1.173) 1.307 5.953 ( 1.041 -4.323 -1.799) 4.797 5.989 ( 0.475 -1.762 -4.396) 4.760 6.006 ( -2.119 -4.982 0.909) 5.490 6.304 ( 2.445 2.091 -2.754) 4.235 6.317 ( 1.260 0.729 -1.609) 2.170 6.451 ( 2.793 3.504 2.916) 5.346 6.501 ( 1.804 0.066 3.716) 4.131 6.608 ( 0.028 3.261 -0.479) 3.296 6.676 ( -0.735 -2.919 -0.878) 3.135 6.932 ( -1.274 6.127 4.507) 7.712 7.000 ( 0.054 -0.219 -0.281) 0.360 7.314 ( 1.403 1.802 -0.655) 2.376 7.372 ( -1.583 -3.890 -0.838) 4.282 8.578 ( -3.261 1.379 3.820) 5.209 8.608 ( -3.039 -1.893 3.396) 4.935 8.702 ( -0.317 0.541 0.260) 0.679 8.717 ( 0.397 -0.978 0.414) 1.134 8.763 ( -2.548 1.315 -2.517) 3.815 8.797 ( -2.005 -2.113 -1.685) 3.365 8.896 ( 1.611 1.853 -4.489) 5.117 8.921 ( -1.715 -0.564 -5.128) 5.436 9.147 ( 3.123 2.212 3.373) 5.102 9.172 ( 3.057 -0.101 0.834) 3.171 9.251 ( -0.412 1.459 5.714) 5.911 9.285 ( -2.444 -1.709 3.577) 4.658 9.362 ( 4.804 1.392 0.894) 5.081 9.410 ( 1.722 -3.973 4.801) 6.465 9.478 ( 2.366 1.188 -4.617) 5.323 9.500 ( 0.888 -1.393 -3.888) 4.225 9.747 ( 1.651 -0.275 2.063) 2.657 9.749 ( -0.621 -0.633 3.755) 3.858 9.809 ( 0.084 1.838 -1.430) 2.330 9.842 ( 0.405 -1.979 -0.785) 2.167 10.004 ( 3.259 1.230 -1.387) 3.749 10.024 ( 1.908 -0.770 -1.772) 2.715 10.140 ( 2.781 0.174 2.015) 3.439 10.154 ( 1.394 -1.179 1.889) 2.627 10.365 ( 0.944 2.050 -2.131) 3.104 10.384 ( -0.007 0.284 -3.025) 3.038 10.543 ( 0.437 2.776 -3.989) 4.880 10.586 ( 0.243 -1.766 -3.279) 3.732 10.684 ( -7.151 0.756 -2.097) 7.490 10.708 ( -9.040 -1.645 -1.802) 9.364 10.966 ( -1.981 0.415 -0.798) 2.176 10.974 ( -2.665 -0.382 -0.972) 2.862 11.202 ( 5.333 0.968 5.374) 7.633 11.229 ( 3.664 -2.018 4.068) 5.835 11.473 ( -0.838 3.894 -2.540) 4.724 11.549 ( -2.428 -4.122 -3.020) 5.657 12.161 ( 1.615 3.300 -2.111) 4.237 12.198 ( -0.370 -0.471 -1.783) 1.881 12.303 ( 0.490 2.850 -0.553) 2.944 12.346 ( -2.177 -1.689 1.625) 3.199 12.859 ( -1.056 1.659 4.898) 5.279 12.898 ( -0.237 -2.423 2.307) 3.354 13.039 ( -1.121 1.159 -1.023) 1.910 13.059 ( -1.066 -0.866 -1.777) 2.246 13.525 ( 1.197 2.802 -0.606) 3.107 13.573 ( 1.694 -2.319 -0.746) 2.967 13.675 ( -1.990 5.472 -4.820) 7.559 13.755 ( -2.525 -3.361 -4.187) 5.933 14.057 ( 4.398 2.576 0.052) 5.097 14.097 ( 2.968 -0.803 0.883) 3.199 14.182 ( 6.911 2.004 2.810) 7.725 14.232 ( 4.263 -2.633 4.263) 6.578 14.954 ( -2.165 0.282 2.404) 3.247 14.961 ( -1.159 -0.459 3.019) 3.266 15.115 ( -0.671 1.004 -1.716) 2.098 15.137 ( -0.514 -1.447 -2.338) 2.797 15.262 ( 1.796 0.913 0.350) 2.045 15.274 ( 1.370 -0.276 0.023) 1.398 15.336 ( 0.208 3.085 -1.413) 3.400 15.391 ( -0.463 -2.715 -0.574) 2.813 19.460 ( -8.439 0.583 -0.421) 8.470 19.474 ( -8.995 -0.887 0.025) 9.039 19.739 ( -13.175 4.591 -2.175) 14.120 19.824 ( -14.810 -4.327 -5.336) 16.326 20.319 ( -1.515 3.528 4.469) 5.892 20.381 ( 0.078 -0.542 2.061) 2.133 20.403 ( 2.821 1.875 1.564) 3.731 20.521 ( 3.562 -9.088 -1.582) 9.888 21.232 ( 1.551 2.612 5.486) 6.271 21.291 ( 0.618 -3.979 7.250) 8.294 21.421 ( 1.758 6.710 -4.179) 8.098 21.549 ( 1.740 -6.981 -4.484) 8.477 21.742 ( 1.843 -0.133 2.334) 2.977 21.750 ( 2.213 -0.963 0.976) 2.604 22.038 ( -4.990 0.849 -0.858) 5.134 22.069 ( -5.034 -2.289 -0.330) 5.540 22.241 ( -0.313 3.709 2.802) 4.659 22.264 ( 0.880 3.914 0.677) 4.068 22.321 ( 0.042 3.246 2.285) 3.970 22.402 ( 0.194 0.430 -0.450) 0.652 22.512 ( 2.685 -2.878 0.385) 3.955 22.559 ( 2.523 -4.567 -0.213) 5.222 22.760 ( -3.520 0.068 -3.482) 4.952 22.776 ( -4.899 -2.224 -2.834) 6.081 23.017 ( -1.015 0.977 2.974) 3.291 23.049 ( -0.932 -2.241 3.698) 4.423 23.175 ( 0.075 2.066 -0.811) 2.221 23.220 ( -0.840 -2.480 -2.085) 3.347 23.476 ( -1.402 0.904 -0.337) 1.702 23.491 ( -1.744 -0.614 -0.903) 2.058 23.644 ( 1.869 0.227 -0.052) 1.884 23.668 ( 0.553 -2.684 0.652) 2.817 23.832 ( 0.190 3.295 2.766) 4.306 23.882 ( -0.814 -2.032 4.047) 4.601 23.954 ( 0.161 3.589 -2.509) 4.382 24.018 ( 1.049 -3.143 -3.676) 4.949 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/31500 10.0 35.449 21.906 15.109 0.000 -3.407 0.000 3/31500 20.0 7.248 3.922 3.127 0.000 -0.808 0.000 3/31500 30.0 3.477 1.837 1.579 0.000 -0.365 0.000 3/31500 40.0 2.256 1.183 1.063 0.000 -0.221 0.000 3/31500 50.0 1.681 0.880 0.810 0.000 -0.157 0.000 3/31500 60.0 1.350 0.708 0.662 0.000 -0.123 0.000 3/31500 70.0 1.136 0.598 0.565 0.000 -0.103 0.000 3/31500 80.0 0.984 0.521 0.496 0.000 -0.089 0.000 3/31500 90.0 0.872 0.463 0.445 0.000 -0.078 0.000 3/31500 100.0 0.785 0.418 0.405 0.000 -0.070 0.000 3/31500 110.0 0.715 0.382 0.373 0.000 -0.064 0.000 3/31500 120.0 0.658 0.353 0.346 0.000 -0.059 0.000 3/31500 130.0 0.611 0.328 0.324 0.000 -0.054 0.000 3/31500 140.0 0.571 0.306 0.304 0.000 -0.050 0.000 3/31500 150.0 0.536 0.288 0.288 0.000 -0.047 0.000 3/31500 160.0 0.507 0.272 0.273 0.000 -0.044 0.000 3/31500 170.0 0.481 0.258 0.260 0.000 -0.041 0.000 3/31500 180.0 0.458 0.245 0.248 0.000 -0.039 0.000 3/31500 190.0 0.438 0.234 0.238 0.000 -0.037 0.000 3/31500 200.0 0.420 0.224 0.228 0.000 -0.035 0.000 3/31500 210.0 0.403 0.215 0.219 0.000 -0.033 0.000 3/31500 220.0 0.388 0.207 0.211 0.000 -0.031 0.000 3/31500 230.0 0.375 0.199 0.204 0.000 -0.030 0.000 3/31500 240.0 0.362 0.192 0.197 0.000 -0.029 0.000 3/31500 250.0 0.351 0.186 0.191 0.000 -0.027 0.000 3/31500 260.0 0.340 0.180 0.185 0.000 -0.026 0.000 3/31500 270.0 0.330 0.174 0.179 0.000 -0.025 0.000 3/31500 280.0 0.320 0.169 0.174 0.000 -0.024 0.000 3/31500 290.0 0.312 0.164 0.169 0.000 -0.024 0.000 3/31500 300.0 0.303 0.160 0.164 0.000 -0.023 0.000 3/31500 310.0 0.295 0.155 0.160 0.000 -0.022 0.000 3/31500 320.0 0.288 0.151 0.156 0.000 -0.021 0.000 3/31500 330.0 0.281 0.148 0.152 0.000 -0.021 0.000 3/31500 340.0 0.274 0.144 0.148 0.000 -0.020 0.000 3/31500 350.0 0.268 0.140 0.145 0.000 -0.019 0.000 3/31500 360.0 0.262 0.137 0.141 0.000 -0.019 0.000 3/31500 370.0 0.256 0.134 0.138 0.000 -0.018 0.000 3/31500 380.0 0.250 0.131 0.135 0.000 -0.018 0.000 3/31500 390.0 0.245 0.128 0.132 0.000 -0.017 0.000 3/31500 400.0 0.240 0.125 0.129 0.000 -0.017 0.000 3/31500 410.0 0.235 0.123 0.127 0.000 -0.016 0.000 3/31500 420.0 0.230 0.120 0.124 0.000 -0.016 0.000 3/31500 430.0 0.226 0.118 0.122 0.000 -0.016 0.000 3/31500 440.0 0.222 0.116 0.119 0.000 -0.015 0.000 3/31500 450.0 0.217 0.113 0.117 0.000 -0.015 0.000 3/31500 460.0 0.213 0.111 0.115 0.000 -0.015 0.000 3/31500 470.0 0.209 0.109 0.112 0.000 -0.014 0.000 3/31500 480.0 0.206 0.107 0.110 0.000 -0.014 0.000 3/31500 490.0 0.202 0.105 0.108 0.000 -0.014 0.000 3/31500 500.0 0.199 0.103 0.106 0.000 -0.013 0.000 3/31500 510.0 0.195 0.101 0.105 0.000 -0.013 0.000 3/31500 520.0 0.192 0.100 0.103 0.000 -0.013 0.000 3/31500 530.0 0.189 0.098 0.101 0.000 -0.013 0.000 3/31500 540.0 0.186 0.096 0.099 0.000 -0.012 0.000 3/31500 550.0 0.183 0.095 0.098 0.000 -0.012 0.000 3/31500 560.0 0.180 0.093 0.096 0.000 -0.012 0.000 3/31500 570.0 0.177 0.092 0.095 0.000 -0.012 0.000 3/31500 580.0 0.174 0.090 0.093 0.000 -0.011 0.000 3/31500 590.0 0.172 0.089 0.092 0.000 -0.011 0.000 3/31500 600.0 0.169 0.088 0.090 0.000 -0.011 0.000 3/31500 610.0 0.167 0.086 0.089 0.000 -0.011 0.000 3/31500 620.0 0.164 0.085 0.088 0.000 -0.011 0.000 3/31500 630.0 0.162 0.084 0.086 0.000 -0.011 0.000 3/31500 640.0 0.159 0.083 0.085 0.000 -0.010 0.000 3/31500 650.0 0.157 0.082 0.084 0.000 -0.010 0.000 3/31500 660.0 0.155 0.080 0.083 0.000 -0.010 0.000 3/31500 670.0 0.153 0.079 0.082 0.000 -0.010 0.000 3/31500 680.0 0.151 0.078 0.081 0.000 -0.010 0.000 3/31500 690.0 0.149 0.077 0.079 0.000 -0.010 0.000 3/31500 700.0 0.147 0.076 0.078 0.000 -0.009 0.000 3/31500 710.0 0.145 0.075 0.077 0.000 -0.009 0.000 3/31500 720.0 0.143 0.074 0.076 0.000 -0.009 0.000 3/31500 730.0 0.141 0.073 0.075 0.000 -0.009 0.000 3/31500 740.0 0.140 0.072 0.074 0.000 -0.009 0.000 3/31500 750.0 0.138 0.071 0.074 0.000 -0.009 0.000 3/31500 760.0 0.136 0.071 0.073 0.000 -0.009 0.000 3/31500 770.0 0.135 0.070 0.072 0.000 -0.009 0.000 3/31500 780.0 0.133 0.069 0.071 0.000 -0.008 0.000 3/31500 790.0 0.131 0.068 0.070 0.000 -0.008 0.000 3/31500 800.0 0.130 0.067 0.069 0.000 -0.008 0.000 3/31500 810.0 0.128 0.066 0.068 0.000 -0.008 0.000 3/31500 820.0 0.127 0.066 0.068 0.000 -0.008 0.000 3/31500 830.0 0.125 0.065 0.067 0.000 -0.008 0.000 3/31500 840.0 0.124 0.064 0.066 0.000 -0.008 0.000 3/31500 850.0 0.123 0.063 0.065 0.000 -0.008 0.000 3/31500 860.0 0.121 0.063 0.065 0.000 -0.008 0.000 3/31500 870.0 0.120 0.062 0.064 0.000 -0.008 0.000 3/31500 880.0 0.119 0.061 0.063 0.000 -0.007 0.000 3/31500 890.0 0.117 0.061 0.063 0.000 -0.007 0.000 3/31500 900.0 0.116 0.060 0.062 0.000 -0.007 0.000 3/31500 910.0 0.115 0.060 0.061 0.000 -0.007 0.000 3/31500 920.0 0.114 0.059 0.061 0.000 -0.007 0.000 3/31500 930.0 0.113 0.058 0.060 0.000 -0.007 0.000 3/31500 940.0 0.112 0.058 0.059 0.000 -0.007 0.000 3/31500 950.0 0.110 0.057 0.059 0.000 -0.007 0.000 3/31500 960.0 0.109 0.057 0.058 0.000 -0.007 0.000 3/31500 970.0 0.108 0.056 0.058 0.000 -0.007 0.000 3/31500 980.0 0.107 0.055 0.057 0.000 -0.007 0.000 3/31500 990.0 0.106 0.055 0.057 0.000 -0.007 0.000 3/31500 1000.0 0.105 0.054 0.056 0.000 -0.007 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:06:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|