----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:50:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12 (18) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.605922049999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.302695839999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.261090930000000 Atomic positions (fractional): *1 F 0.71416208809830 0.10711895742179 0.47303520969568 18.998 2 F 0.21416208809830 0.39288104257821 0.52696479030432 18.998 3 F 0.28583791190170 0.89288104257821 0.47303520969568 18.998 4 F 0.78583791190170 0.60711895742179 0.52696479030432 18.998 *5 F 0.73600796833252 0.38742573270218 0.11447027910202 18.998 6 F 0.23600796833252 0.11257426729782 0.88552972089798 18.998 7 F 0.26399203166748 0.61257426729782 0.11447027910202 18.998 8 F 0.76399203166748 0.88742573270218 0.88552972089798 18.998 *9 F 0.71290808918128 0.89159123219897 0.60036257969978 18.998 10 F 0.21290808918128 0.60840876780103 0.39963742030022 18.998 11 F 0.28709191081872 0.10840876780103 0.60036257969978 18.998 12 F 0.78709191081872 0.39159123219897 0.39963742030022 18.998 *13 F 0.91146002093729 0.38990578827700 0.62940617523407 18.998 14 F 0.41146002093729 0.11009421172301 0.37059382476593 18.998 *15 F 0.56629514309887 0.34759023261985 0.63489196011080 18.998 16 F 0.08853997906271 0.61009421172301 0.62940617523407 18.998 *17 F 0.74018427572993 0.65355113174604 0.07572541279276 18.998 18 F 0.24018427572993 0.84644886825396 0.92427458720724 18.998 19 F 0.25981572427007 0.34644886825396 0.07572541279276 18.998 20 F 0.75981572427007 0.15355113174604 0.92427458720724 18.998 *21 F 0.98944870534668 0.79843390625183 0.12462969828840 18.998 22 F 0.48944870534668 0.70156609374817 0.87537030171160 18.998 23 F 0.01055129465332 0.20156609374817 0.12462969828840 18.998 24 F 0.51055129465332 0.29843390625183 0.87537030171160 18.998 *25 F 0.52776681436970 0.84336767326614 0.12413001823321 18.998 26 F 0.02776681436970 0.65663232673386 0.87586998176679 18.998 27 F 0.47223318563030 0.15663232673387 0.12413001823321 18.998 28 F 0.97223318563030 0.34336767326613 0.87586998176679 18.998 *29 F 0.78412261729962 0.98364824292395 0.16956820125413 18.998 30 F 0.28412261729962 0.51635175707605 0.83043179874587 18.998 31 F 0.21587738270038 0.01635175707605 0.16956820125413 18.998 32 F 0.71587738270038 0.48364824292395 0.83043179874587 18.998 *33 F 0.56321601813726 0.65911242383407 0.29420712965126 18.998 34 F 0.06321601813726 0.84088757616593 0.70579287034874 18.998 35 F 0.43678398186274 0.34088757616593 0.29420712965126 18.998 36 F 0.93678398186274 0.15911242383408 0.70579287034874 18.998 *37 F 0.90947609217071 0.61072775316774 0.29367549491465 18.998 38 F 0.40947609217071 0.88927224683226 0.70632450508535 18.998 39 F 0.09052390782929 0.38927224683226 0.29367549491465 18.998 40 F 0.59052390782929 0.11072775316774 0.70632450508535 18.998 41 F 0.93370485690113 0.84759023261985 0.36510803988920 18.998 42 F 0.43370485690113 0.65240976738015 0.63489196011080 18.998 43 F 0.06629514309887 0.15240976738015 0.36510803988920 18.998 44 F 0.58853997906271 0.88990578827699 0.37059382476593 18.998 *45 Sr 0.26462495198365 0.79375522572509 0.25340525843411 87.620 46 Sr 0.76462495198365 0.70624477427491 0.74659474156589 87.620 47 Sr 0.73537504801635 0.20624477427491 0.25340525843411 87.620 48 Sr 0.23537504801635 0.29375522572509 0.74659474156589 87.620 *49 Sr 0.00000000000000 0.00000000000000 0.98056805747579 87.620 50 Sr 0.50000000000000 0.50000000000000 0.01943194252421 87.620 *51 Sr 0.50000000000000 0.00000000000000 0.93643828446614 87.620 52 Sr 0.00000000000000 0.50000000000000 0.06356171553386 87.620 *53 Sr 0.50000000000000 0.50000000000000 0.46129786056388 87.620 54 Sr 0.00000000000000 0.00000000000000 0.53870213943612 87.620 *55 Zr 0.75353142462247 0.78836565670706 0.22597682485145 91.224 56 Zr 0.25353142462246 0.71163434329294 0.77402317514855 91.224 57 Zr 0.24646857537753 0.21163434329294 0.22597682485145 91.224 58 Zr 0.74646857537753 0.28836565670706 0.77402317514855 91.224 *59 Zr 0.00000000000000 0.50000000000000 0.46164001515065 91.224 60 Zr 0.50000000000000 0.00000000000000 0.53835998484935 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.605922049999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.302695839999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.261090930000000 Atomic positions (fractional): *1 F 0.71416208809830 0.10711895742179 0.47303520969568 18.998 > 1 2 F 0.21416208809830 0.39288104257821 0.52696479030432 18.998 > 2 3 F 0.28583791190170 0.89288104257821 0.47303520969568 18.998 > 3 4 F 0.78583791190170 0.60711895742179 0.52696479030432 18.998 > 4 *5 F 0.73600796833252 0.38742573270218 0.11447027910202 18.998 > 5 6 F 0.23600796833252 0.11257426729782 0.88552972089798 18.998 > 6 7 F 0.26399203166748 0.61257426729782 0.11447027910202 18.998 > 7 8 F 0.76399203166748 0.88742573270218 0.88552972089798 18.998 > 8 *9 F 0.71290808918128 0.89159123219897 0.60036257969978 18.998 > 9 10 F 0.21290808918128 0.60840876780103 0.39963742030022 18.998 > 10 11 F 0.28709191081872 0.10840876780103 0.60036257969978 18.998 > 11 12 F 0.78709191081872 0.39159123219897 0.39963742030022 18.998 > 12 *13 F 0.91146002093729 0.38990578827700 0.62940617523407 18.998 > 13 14 F 0.41146002093729 0.11009421172301 0.37059382476593 18.998 > 14 *15 F 0.56629514309887 0.34759023261985 0.63489196011080 18.998 > 15 16 F 0.08853997906271 0.61009421172301 0.62940617523407 18.998 > 16 *17 F 0.74018427572993 0.65355113174604 0.07572541279276 18.998 > 17 18 F 0.24018427572993 0.84644886825396 0.92427458720724 18.998 > 18 19 F 0.25981572427007 0.34644886825396 0.07572541279276 18.998 > 19 20 F 0.75981572427007 0.15355113174604 0.92427458720724 18.998 > 20 *21 F 0.98944870534668 0.79843390625183 0.12462969828840 18.998 > 21 22 F 0.48944870534668 0.70156609374817 0.87537030171160 18.998 > 22 23 F 0.01055129465332 0.20156609374817 0.12462969828840 18.998 > 23 24 F 0.51055129465332 0.29843390625183 0.87537030171160 18.998 > 24 *25 F 0.52776681436970 0.84336767326614 0.12413001823321 18.998 > 25 26 F 0.02776681436970 0.65663232673386 0.87586998176679 18.998 > 26 27 F 0.47223318563030 0.15663232673387 0.12413001823321 18.998 > 27 28 F 0.97223318563030 0.34336767326613 0.87586998176679 18.998 > 28 *29 F 0.78412261729962 0.98364824292395 0.16956820125413 18.998 > 29 30 F 0.28412261729962 0.51635175707605 0.83043179874587 18.998 > 30 31 F 0.21587738270038 0.01635175707605 0.16956820125413 18.998 > 31 32 F 0.71587738270038 0.48364824292395 0.83043179874587 18.998 > 32 *33 F 0.56321601813726 0.65911242383407 0.29420712965126 18.998 > 33 34 F 0.06321601813726 0.84088757616593 0.70579287034874 18.998 > 34 35 F 0.43678398186274 0.34088757616593 0.29420712965126 18.998 > 35 36 F 0.93678398186274 0.15911242383408 0.70579287034874 18.998 > 36 *37 F 0.90947609217071 0.61072775316774 0.29367549491465 18.998 > 37 38 F 0.40947609217071 0.88927224683226 0.70632450508535 18.998 > 38 39 F 0.09052390782929 0.38927224683226 0.29367549491465 18.998 > 39 40 F 0.59052390782929 0.11072775316774 0.70632450508535 18.998 > 40 41 F 0.93370485690113 0.84759023261985 0.36510803988920 18.998 > 41 42 F 0.43370485690113 0.65240976738015 0.63489196011080 18.998 > 42 43 F 0.06629514309887 0.15240976738015 0.36510803988920 18.998 > 43 44 F 0.58853997906271 0.88990578827699 0.37059382476593 18.998 > 44 *45 Sr 0.26462495198365 0.79375522572509 0.25340525843411 87.620 > 45 46 Sr 0.76462495198365 0.70624477427491 0.74659474156589 87.620 > 46 47 Sr 0.73537504801635 0.20624477427491 0.25340525843411 87.620 > 47 48 Sr 0.23537504801635 0.29375522572509 0.74659474156589 87.620 > 48 *49 Sr 0.00000000000000 0.00000000000000 0.98056805747579 87.620 > 49 50 Sr 0.50000000000000 0.50000000000000 0.01943194252421 87.620 > 50 *51 Sr 0.50000000000000 0.00000000000000 0.93643828446614 87.620 > 51 52 Sr 0.00000000000000 0.50000000000000 0.06356171553386 87.620 > 52 *53 Sr 0.50000000000000 0.50000000000000 0.46129786056388 87.620 > 53 54 Sr 0.00000000000000 0.00000000000000 0.53870213943612 87.620 > 54 *55 Zr 0.75353142462247 0.78836565670706 0.22597682485145 91.224 > 55 56 Zr 0.25353142462246 0.71163434329294 0.77402317514855 91.224 > 56 57 Zr 0.24646857537753 0.21163434329294 0.22597682485145 91.224 > 57 58 Zr 0.74646857537753 0.28836565670706 0.77402317514855 91.224 > 58 *59 Zr 0.00000000000000 0.50000000000000 0.46164001515065 91.224 > 59 60 Zr 0.50000000000000 0.00000000000000 0.53835998484935 91.224 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.211844099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.302695839999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.261090930000000 Atomic positions (fractional): *1 F 0.35708104404915 0.10711895742179 0.47303520969568 18.998 > 1 2 F 0.85708104404915 0.10711895742179 0.47303520969568 18.998 > 1 3 F 0.10708104404915 0.39288104257821 0.52696479030432 18.998 > 2 4 F 0.60708104404915 0.39288104257821 0.52696479030432 18.998 > 2 5 F 0.14291895595085 0.89288104257821 0.47303520969568 18.998 > 3 6 F 0.64291895595085 0.89288104257821 0.47303520969568 18.998 > 3 7 F 0.39291895595085 0.60711895742179 0.52696479030432 18.998 > 4 8 F 0.89291895595085 0.60711895742179 0.52696479030432 18.998 > 4 *9 F 0.36800398416626 0.38742573270218 0.11447027910202 18.998 > 5 10 F 0.86800398416626 0.38742573270218 0.11447027910202 18.998 > 5 11 F 0.11800398416626 0.11257426729782 0.88552972089798 18.998 > 6 12 F 0.61800398416626 0.11257426729782 0.88552972089798 18.998 > 6 13 F 0.13199601583374 0.61257426729782 0.11447027910202 18.998 > 7 14 F 0.63199601583374 0.61257426729782 0.11447027910202 18.998 > 7 15 F 0.38199601583374 0.88742573270218 0.88552972089798 18.998 > 8 16 F 0.88199601583374 0.88742573270218 0.88552972089798 18.998 > 8 *17 F 0.35645404459064 0.89159123219897 0.60036257969978 18.998 > 9 18 F 0.85645404459064 0.89159123219897 0.60036257969978 18.998 > 9 19 F 0.10645404459064 0.60840876780103 0.39963742030022 18.998 > 10 20 F 0.60645404459064 0.60840876780103 0.39963742030022 18.998 > 10 21 F 0.14354595540936 0.10840876780103 0.60036257969978 18.998 > 11 22 F 0.64354595540936 0.10840876780103 0.60036257969978 18.998 > 11 23 F 0.39354595540936 0.39159123219897 0.39963742030022 18.998 > 12 24 F 0.89354595540936 0.39159123219897 0.39963742030022 18.998 > 12 *25 F 0.45573001046864 0.38990578827700 0.62940617523407 18.998 > 13 26 F 0.95573001046865 0.38990578827700 0.62940617523407 18.998 > 13 27 F 0.20573001046865 0.11009421172301 0.37059382476593 18.998 > 14 28 F 0.70573001046865 0.11009421172301 0.37059382476593 18.998 > 14 *29 F 0.28314757154943 0.34759023261985 0.63489196011080 18.998 > 15 30 F 0.78314757154943 0.34759023261985 0.63489196011080 18.998 > 15 31 F 0.04426998953135 0.61009421172301 0.62940617523407 18.998 > 16 32 F 0.54426998953135 0.61009421172301 0.62940617523407 18.998 > 16 *33 F 0.37009213786496 0.65355113174604 0.07572541279276 18.998 > 17 34 F 0.87009213786496 0.65355113174604 0.07572541279276 18.998 > 17 35 F 0.12009213786496 0.84644886825396 0.92427458720724 18.998 > 18 36 F 0.62009213786496 0.84644886825396 0.92427458720724 18.998 > 18 37 F 0.12990786213504 0.34644886825396 0.07572541279276 18.998 > 19 38 F 0.62990786213504 0.34644886825396 0.07572541279276 18.998 > 19 39 F 0.37990786213504 0.15355113174604 0.92427458720724 18.998 > 20 40 F 0.87990786213504 0.15355113174604 0.92427458720724 18.998 > 20 *41 F 0.49472435267334 0.79843390625183 0.12462969828840 18.998 > 21 42 F 0.99472435267334 0.79843390625183 0.12462969828840 18.998 > 21 43 F 0.24472435267334 0.70156609374817 0.87537030171160 18.998 > 22 44 F 0.74472435267334 0.70156609374817 0.87537030171160 18.998 > 22 45 F 0.00527564732666 0.20156609374817 0.12462969828840 18.998 > 23 46 F 0.50527564732666 0.20156609374817 0.12462969828840 18.998 > 23 47 F 0.25527564732666 0.29843390625183 0.87537030171160 18.998 > 24 48 F 0.75527564732666 0.29843390625183 0.87537030171160 18.998 > 24 *49 F 0.26388340718485 0.84336767326614 0.12413001823321 18.998 > 25 50 F 0.76388340718485 0.84336767326614 0.12413001823321 18.998 > 25 51 F 0.01388340718485 0.65663232673386 0.87586998176679 18.998 > 26 52 F 0.51388340718485 0.65663232673386 0.87586998176679 18.998 > 26 53 F 0.23611659281515 0.15663232673387 0.12413001823321 18.998 > 27 54 F 0.73611659281515 0.15663232673387 0.12413001823321 18.998 > 27 55 F 0.48611659281515 0.34336767326613 0.87586998176679 18.998 > 28 56 F 0.98611659281515 0.34336767326613 0.87586998176679 18.998 > 28 *57 F 0.39206130864981 0.98364824292395 0.16956820125413 18.998 > 29 58 F 0.89206130864981 0.98364824292395 0.16956820125413 18.998 > 29 59 F 0.14206130864981 0.51635175707605 0.83043179874587 18.998 > 30 60 F 0.64206130864981 0.51635175707605 0.83043179874587 18.998 > 30 61 F 0.10793869135019 0.01635175707605 0.16956820125413 18.998 > 31 62 F 0.60793869135019 0.01635175707605 0.16956820125413 18.998 > 31 63 F 0.35793869135019 0.48364824292395 0.83043179874587 18.998 > 32 64 F 0.85793869135019 0.48364824292395 0.83043179874587 18.998 > 32 *65 F 0.28160800906863 0.65911242383407 0.29420712965126 18.998 > 33 66 F 0.78160800906863 0.65911242383407 0.29420712965126 18.998 > 33 67 F 0.03160800906863 0.84088757616593 0.70579287034874 18.998 > 34 68 F 0.53160800906863 0.84088757616593 0.70579287034874 18.998 > 34 69 F 0.21839199093137 0.34088757616593 0.29420712965126 18.998 > 35 70 F 0.71839199093137 0.34088757616593 0.29420712965126 18.998 > 35 71 F 0.46839199093137 0.15911242383408 0.70579287034874 18.998 > 36 72 F 0.96839199093137 0.15911242383408 0.70579287034874 18.998 > 36 *73 F 0.45473804608536 0.61072775316774 0.29367549491465 18.998 > 37 74 F 0.95473804608535 0.61072775316774 0.29367549491465 18.998 > 37 75 F 0.20473804608536 0.88927224683226 0.70632450508535 18.998 > 38 76 F 0.70473804608536 0.88927224683226 0.70632450508535 18.998 > 38 77 F 0.04526195391464 0.38927224683226 0.29367549491465 18.998 > 39 78 F 0.54526195391465 0.38927224683226 0.29367549491465 18.998 > 39 79 F 0.29526195391464 0.11072775316774 0.70632450508535 18.998 > 40 80 F 0.79526195391465 0.11072775316774 0.70632450508535 18.998 > 40 81 F 0.46685242845057 0.84759023261985 0.36510803988920 18.998 > 41 82 F 0.96685242845057 0.84759023261985 0.36510803988920 18.998 > 41 83 F 0.21685242845057 0.65240976738015 0.63489196011080 18.998 > 42 84 F 0.71685242845057 0.65240976738015 0.63489196011080 18.998 > 42 85 F 0.03314757154943 0.15240976738015 0.36510803988920 18.998 > 43 86 F 0.53314757154943 0.15240976738015 0.36510803988920 18.998 > 43 87 F 0.29426998953136 0.88990578827699 0.37059382476593 18.998 > 44 88 F 0.79426998953135 0.88990578827699 0.37059382476593 18.998 > 44 *89 Sr 0.13231247599183 0.79375522572509 0.25340525843411 87.620 > 45 90 Sr 0.63231247599183 0.79375522572509 0.25340525843411 87.620 > 45 91 Sr 0.38231247599183 0.70624477427491 0.74659474156589 87.620 > 46 92 Sr 0.88231247599183 0.70624477427491 0.74659474156589 87.620 > 46 93 Sr 0.36768752400817 0.20624477427491 0.25340525843411 87.620 > 47 94 Sr 0.86768752400817 0.20624477427491 0.25340525843411 87.620 > 47 95 Sr 0.11768752400817 0.29375522572509 0.74659474156589 87.620 > 48 96 Sr 0.61768752400817 0.29375522572509 0.74659474156589 87.620 > 48 *97 Sr 0.00000000000000 0.00000000000000 0.98056805747579 87.620 > 49 98 Sr 0.50000000000000 0.00000000000000 0.98056805747579 87.620 > 49 99 Sr 0.25000000000000 0.50000000000000 0.01943194252421 87.620 > 50 100 Sr 0.75000000000000 0.50000000000000 0.01943194252421 87.620 > 50 *101 Sr 0.25000000000000 0.00000000000000 0.93643828446614 87.620 > 51 102 Sr 0.75000000000000 0.00000000000000 0.93643828446614 87.620 > 51 103 Sr 0.00000000000000 0.50000000000000 0.06356171553386 87.620 > 52 104 Sr 0.50000000000000 0.50000000000000 0.06356171553386 87.620 > 52 *105 Sr 0.25000000000000 0.50000000000000 0.46129786056388 87.620 > 53 106 Sr 0.75000000000000 0.50000000000000 0.46129786056388 87.620 > 53 107 Sr 0.00000000000000 0.00000000000000 0.53870213943612 87.620 > 54 108 Sr 0.50000000000000 0.00000000000000 0.53870213943612 87.620 > 54 *109 Zr 0.37676571231123 0.78836565670706 0.22597682485145 91.224 > 55 110 Zr 0.87676571231123 0.78836565670706 0.22597682485145 91.224 > 55 111 Zr 0.12676571231123 0.71163434329294 0.77402317514855 91.224 > 56 112 Zr 0.62676571231123 0.71163434329294 0.77402317514855 91.224 > 56 113 Zr 0.12323428768877 0.21163434329294 0.22597682485145 91.224 > 57 114 Zr 0.62323428768877 0.21163434329294 0.22597682485145 91.224 > 57 115 Zr 0.37323428768877 0.28836565670706 0.77402317514855 91.224 > 58 116 Zr 0.87323428768877 0.28836565670706 0.77402317514855 91.224 > 58 *117 Zr 0.00000000000000 0.50000000000000 0.46164001515065 91.224 > 59 118 Zr 0.50000000000000 0.50000000000000 0.46164001515065 91.224 > 59 119 Zr 0.25000000000000 0.00000000000000 0.53835998484935 91.224 > 60 120 Zr 0.75000000000000 0.00000000000000 0.53835998484935 91.224 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6353592 0.0000000 0.0000000 0.0000000 2.5503540 0.0000000 0.0000000 0.0000000 2.5123960 -------------------------- Born effective charges -------------------------- 1 F -1.5239874 -0.3121078 0.2443249 -0.3310182 -1.0292546 0.3115602 0.2168403 0.2612707 -1.0448302 2 F -1.5239874 0.3121078 -0.2443249 0.3310182 -1.0292546 0.3115602 -0.2168403 0.2612707 -1.0448302 3 F -1.5239874 -0.3121078 -0.2443249 -0.3310182 -1.0292546 -0.3115602 -0.2168403 -0.2612707 -1.0448302 4 F -1.5239874 0.3121078 0.2443249 0.3310182 -1.0292546 -0.3115602 0.2168403 -0.2612707 -1.0448302 5 F -1.3717784 -0.0207602 -0.0728828 -0.0180970 -1.2841226 0.3576119 -0.0981686 0.3292810 -1.0981179 6 F -1.3717784 0.0207602 0.0728828 0.0180970 -1.2841226 0.3576119 0.0981686 0.3292810 -1.0981179 7 F -1.3717784 -0.0207602 0.0728828 -0.0180970 -1.2841226 -0.3576119 0.0981686 -0.3292810 -1.0981179 8 F -1.3717784 0.0207602 -0.0728828 0.0180970 -1.2841226 -0.3576119 -0.0981686 -0.3292810 -1.0981179 9 F -1.5516349 0.3875259 -0.2302124 0.4046680 -1.2136836 0.3466168 -0.2211757 0.3611138 -0.9010619 10 F -1.5516349 -0.3875259 0.2302124 -0.4046680 -1.2136836 0.3466168 0.2211757 0.3611138 -0.9010619 11 F -1.5516349 0.3875259 0.2302124 0.4046680 -1.2136836 -0.3466168 0.2211757 -0.3611138 -0.9010619 12 F -1.5516349 -0.3875259 -0.2302124 -0.4046680 -1.2136836 -0.3466168 -0.2211757 -0.3611138 -0.9010619 13 F -1.0869751 -0.3789397 0.5493114 -0.4019374 -1.1184014 0.7182842 0.5551406 0.6625217 -1.6226026 14 F -1.0869751 0.3789397 -0.5493114 0.4019374 -1.1184014 0.7182842 -0.5551406 0.6625217 -1.6226026 15 F -1.3079326 0.2385113 -0.4633891 0.2445486 -0.9547076 0.3959683 -0.4748976 0.3747084 -1.3317307 16 F -1.0869751 -0.3789397 -0.5493114 -0.4019374 -1.1184014 -0.7182842 -0.5551406 -0.6625217 -1.6226026 17 F -0.9737586 -0.0374351 -0.0942676 -0.0412360 -1.4285335 -0.5924149 -0.1063739 -0.5917036 -1.3088369 18 F -0.9737586 0.0374351 0.0942676 0.0412360 -1.4285335 -0.5924149 0.1063739 -0.5917036 -1.3088369 19 F -0.9737586 -0.0374351 0.0942676 -0.0412360 -1.4285335 0.5924149 0.1063739 0.5917036 -1.3088369 20 F -0.9737586 0.0374351 -0.0942676 0.0412360 -1.4285335 0.5924149 -0.1063739 0.5917036 -1.3088369 21 F -1.6468400 -0.0670272 0.2749909 -0.0685482 -0.9160814 0.1636667 0.3188117 0.1879030 -1.0698433 22 F -1.6468400 0.0670272 -0.2749909 0.0685482 -0.9160814 0.1636667 -0.3188117 0.1879030 -1.0698433 23 F -1.6468400 -0.0670272 -0.2749909 -0.0685482 -0.9160814 -0.1636667 -0.3188117 -0.1879030 -1.0698433 24 F -1.6468400 0.0670272 0.2749909 0.0685482 -0.9160814 -0.1636667 0.3188117 -0.1879030 -1.0698433 25 F -1.5969826 0.2053251 -0.2752015 0.1673574 -0.8701602 0.2759869 -0.3186719 0.3307256 -1.2081876 26 F -1.5969826 -0.2053251 0.2752015 -0.1673574 -0.8701602 0.2759869 0.3186719 0.3307256 -1.2081876 27 F -1.5969826 0.2053251 0.2752015 0.1673574 -0.8701602 -0.2759869 0.3186719 -0.3307256 -1.2081876 28 F -1.5969826 -0.2053251 -0.2752015 -0.1673574 -0.8701602 -0.2759869 -0.3186719 -0.3307256 -1.2081876 29 F -0.8355402 -0.1106969 0.1607423 -0.0805217 -1.8433088 0.1785121 0.1533178 0.2177849 -0.9839889 30 F -0.8355402 0.1106969 -0.1607423 0.0805217 -1.8433088 0.1785121 -0.1533178 0.2177849 -0.9839889 31 F -0.8355402 -0.1106969 -0.1607423 -0.0805217 -1.8433088 -0.1785121 -0.1533178 -0.2177849 -0.9839889 32 F -0.8355402 0.1106969 0.1607423 0.0805217 -1.8433088 -0.1785121 0.1533178 -0.2177849 -0.9839889 33 F -1.3583391 -0.4079932 0.2615731 -0.4298156 -1.3272171 0.3922385 0.2639658 0.3959519 -1.0159904 34 F -1.3583391 0.4079932 -0.2615731 0.4298156 -1.3272171 0.3922385 -0.2639658 0.3959519 -1.0159904 35 F -1.3583391 -0.4079932 -0.2615731 -0.4298156 -1.3272171 -0.3922385 -0.2639658 -0.3959519 -1.0159904 36 F -1.3583391 0.4079932 0.2615731 0.4298156 -1.3272171 -0.3922385 0.2639658 -0.3959519 -1.0159904 37 F -0.9499682 0.4784136 -0.3237557 0.5077633 -1.4517321 0.5605729 -0.3210254 0.5401892 -1.4158176 38 F -0.9499682 -0.4784136 0.3237557 -0.5077633 -1.4517321 0.5605729 0.3210254 0.5401892 -1.4158176 39 F -0.9499682 0.4784136 0.3237557 0.5077633 -1.4517321 -0.5605729 0.3210254 -0.5401892 -1.4158176 40 F -0.9499682 -0.4784136 -0.3237557 -0.5077633 -1.4517321 -0.5605729 -0.3210254 -0.5401892 -1.4158176 41 F -1.3079326 -0.2385113 -0.4633891 -0.2445486 -0.9547076 -0.3959683 -0.4748976 -0.3747084 -1.3317307 42 F -1.3079326 0.2385113 0.4633891 0.2445486 -0.9547076 -0.3959683 0.4748976 -0.3747084 -1.3317307 43 F -1.3079326 -0.2385113 0.4633891 -0.2445486 -0.9547076 0.3959683 0.4748976 0.3747084 -1.3317307 44 F -1.0869751 0.3789397 0.5493114 0.4019374 -1.1184014 -0.7182842 0.5551406 -0.6625217 -1.6226026 45 Sr 2.6751079 0.1247944 0.0266855 0.0593493 2.6578517 0.1031611 0.0324527 0.0614648 2.3800932 46 Sr 2.6751079 -0.1247944 -0.0266855 -0.0593493 2.6578517 0.1031611 -0.0324527 0.0614648 2.3800932 47 Sr 2.6751079 0.1247944 -0.0266855 0.0593493 2.6578517 -0.1031611 -0.0324527 -0.0614648 2.3800932 48 Sr 2.6751079 -0.1247944 0.0266855 -0.0593493 2.6578517 -0.1031611 0.0324527 -0.0614648 2.3800932 49 Sr 2.6767167 0.1720365 0.0000000 0.0765791 2.5227031 -0.0000000 -0.0000000 0.0000000 2.4650641 50 Sr 2.6767167 -0.1720365 0.0000000 -0.0765791 2.5227031 -0.0000000 -0.0000000 0.0000000 2.4650641 51 Sr 2.5905787 -0.1288225 0.0000000 -0.0148098 2.5589725 -0.0000000 -0.0000000 0.0000000 2.5488843 52 Sr 2.5905787 0.1288225 0.0000000 0.0148098 2.5589725 -0.0000000 -0.0000000 0.0000000 2.5488843 53 Sr 2.8304419 -0.0054501 0.0000000 -0.0006349 2.4619864 -0.0000000 -0.0000000 0.0000000 2.4896523 54 Sr 2.8304419 0.0054501 0.0000000 0.0006349 2.4619864 -0.0000000 -0.0000000 0.0000000 2.4896523 55 Zr 4.9605308 0.0037689 -0.0014209 0.0260212 4.7881886 0.2029836 -0.0094428 -0.0146977 4.4168163 56 Zr 4.9605308 -0.0037689 0.0014209 -0.0260212 4.7881886 0.2029836 0.0094428 -0.0146977 4.4168163 57 Zr 4.9605308 0.0037689 0.0014209 0.0260212 4.7881886 -0.2029836 0.0094428 0.0146977 4.4168163 58 Zr 4.9605308 -0.0037689 -0.0014209 -0.0260212 4.7881886 -0.2029836 -0.0094428 0.0146977 4.4168163 59 Zr 5.0384596 0.0681295 0.0000000 0.0625414 4.4386631 -0.0000000 -0.0000000 0.0000000 4.9045967 60 Zr 5.0384596 -0.0681295 0.0000000 -0.0625414 4.4386631 -0.0000000 -0.0000000 0.0000000 4.9045967 ---------------------------------------------------------------------------- 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: 8243 Number of blocks in projector: 8243 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: 1816 Use submatrix version of eigh solver. (1) Block: 500 / 1816 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 1816 (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: 1500 / 1816 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1816 / 1816 (1) 282 eigenvectors found. (1) Complementary block size: 122 (1) Compute compressed projector. (1) Use standard solver. (1) 88 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1784 Use submatrix version of eigh solver. (1) Block: 500 / 1784 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1784 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1500 / 1784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1784 / 1784 (1) 261 eigenvectors found. (1) Complementary block size: 85 (1) Compute compressed projector. (1) Use standard solver. (1) 59 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1784 Use submatrix version of eigh solver. (1) Block: 500 / 1784 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1784 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1500 / 1784 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1784 / 1784 (1) 268 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 56 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 953 Use submatrix version of eigh solver. (1) Block: 500 / 953 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 953 / 953 (1) 436 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 953 Use submatrix version of eigh solver. (1) Block: 500 / 953 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 953 / 953 (1) 436 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 953 Use submatrix version of eigh solver. (1) Block: 500 / 953 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 953 / 953 (1) 436 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. Tree of FC basis block matrices: - (8243, 8106), data: False |-- (953, 936), data: False |-- (953, 17), data: (953, 34) @ (34, 17) |-- (453, 436), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (953, 936), data: False |-- (953, 17), data: (953, 34) @ (34, 17) |-- (453, 436), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (953, 936), data: False |-- (953, 17), data: (953, 34) @ (34, 17) |-- (453, 436), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1784, 1758), data: False |-- (1784, 56), data: (1784, 82) @ (82, 56) |-- (284, 268), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 474), data: False |-- (500, 26), data: (500, 52) @ (52, 26) |-- (250, 224), data: True |-- (250, 224), data: True |-- (1784, 1758), data: False |-- (1784, 59), data: (1784, 85) @ (85, 59) |-- (284, 261), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 240), data: True |-- (250, 236), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1816, 1782), data: False |-- (1816, 88), data: (1816, 122) @ (122, 88) |-- (316, 282), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.265 Solver_block: 200 / 1840 - Time: 1.953 Solver_block: 300 / 1840 - Time: 1.948 Solver_block: 400 / 1840 - Time: 1.958 Solver_block: 500 / 1840 - Time: 1.958 Solver_block: 600 / 1840 - Time: 1.960 Solver_block: 700 / 1840 - Time: 1.958 Solver_block: 800 / 1840 - Time: 1.962 Solver_block: 900 / 1840 - Time: 1.955 Solver_block: 1000 / 1840 - Time: 1.954 Solver_block: 1100 / 1840 - Time: 1.960 Solver_block: 1200 / 1840 - Time: 1.950 Solver_block: 1300 / 1840 - Time: 1.953 Solver_block: 1400 / 1840 - Time: 1.951 Solver_block: 1500 / 1840 - Time: 1.955 Solver_block: 1600 / 1840 - Time: 1.954 Solver_block: 1700 / 1840 - Time: 1.956 Solver_block: 1800 / 1840 - Time: 1.960 Solver_block: 1840 / 1840 - Time: 0.970 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 37.539 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8243 Number of blocks in projector: 8243 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: 1816 Use submatrix version of eigh solver. (1) Block: 500 / 1816 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 1816 (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: 1500 / 1816 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1816 / 1816 (1) 282 eigenvectors found. (1) Complementary block size: 122 (1) Compute compressed projector. (1) Use standard solver. (1) 88 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1784 Use submatrix version of eigh solver. (1) Block: 500 / 1784 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1784 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1500 / 1784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1784 / 1784 (1) 261 eigenvectors found. (1) Complementary block size: 85 (1) Compute compressed projector. (1) Use standard solver. (1) 59 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1784 Use submatrix version of eigh solver. (1) Block: 500 / 1784 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1784 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1500 / 1784 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1784 / 1784 (1) 268 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 56 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 953 Use submatrix version of eigh solver. (1) Block: 500 / 953 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 953 / 953 (1) 436 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 953 Use submatrix version of eigh solver. (1) Block: 500 / 953 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 953 / 953 (1) 436 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 953 Use submatrix version of eigh solver. (1) Block: 500 / 953 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 953 / 953 (1) 436 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. Tree of FC basis block matrices: - (8243, 8106), data: False |-- (953, 936), data: False |-- (953, 17), data: (953, 34) @ (34, 17) |-- (453, 436), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (953, 936), data: False |-- (953, 17), data: (953, 34) @ (34, 17) |-- (453, 436), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (953, 936), data: False |-- (953, 17), data: (953, 34) @ (34, 17) |-- (453, 436), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1784, 1758), data: False |-- (1784, 56), data: (1784, 82) @ (82, 56) |-- (284, 268), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 474), data: False |-- (500, 26), data: (500, 52) @ (52, 26) |-- (250, 224), data: True |-- (250, 224), data: True |-- (1784, 1758), data: False |-- (1784, 59), data: (1784, 85) @ (85, 59) |-- (284, 261), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 240), data: True |-- (250, 236), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1816, 1782), data: False |-- (1816, 88), data: (1816, 122) @ (122, 88) |-- (316, 282), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:52:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:52:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12 (18) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.605922049999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.302695839999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.261090930000000 Atomic positions (fractional): 1 F 0.71416208809830 0.10711895742179 0.47303520969568 18.998 2 F 0.21416208809830 0.39288104257821 0.52696479030432 18.998 3 F 0.28583791190170 0.89288104257821 0.47303520969568 18.998 4 F 0.78583791190170 0.60711895742179 0.52696479030432 18.998 5 F 0.73600796833252 0.38742573270218 0.11447027910202 18.998 6 F 0.23600796833252 0.11257426729782 0.88552972089798 18.998 7 F 0.26399203166748 0.61257426729782 0.11447027910202 18.998 8 F 0.76399203166748 0.88742573270218 0.88552972089798 18.998 9 F 0.71290808918128 0.89159123219897 0.60036257969978 18.998 10 F 0.21290808918128 0.60840876780103 0.39963742030022 18.998 11 F 0.28709191081872 0.10840876780103 0.60036257969978 18.998 12 F 0.78709191081872 0.39159123219897 0.39963742030022 18.998 13 F 0.91146002093729 0.38990578827700 0.62940617523407 18.998 14 F 0.41146002093729 0.11009421172301 0.37059382476593 18.998 15 F 0.56629514309887 0.34759023261985 0.63489196011080 18.998 16 F 0.08853997906271 0.61009421172301 0.62940617523407 18.998 17 F 0.74018427572993 0.65355113174604 0.07572541279276 18.998 18 F 0.24018427572993 0.84644886825396 0.92427458720724 18.998 19 F 0.25981572427007 0.34644886825396 0.07572541279276 18.998 20 F 0.75981572427007 0.15355113174604 0.92427458720724 18.998 21 F 0.98944870534668 0.79843390625183 0.12462969828840 18.998 22 F 0.48944870534668 0.70156609374817 0.87537030171160 18.998 23 F 0.01055129465332 0.20156609374817 0.12462969828840 18.998 24 F 0.51055129465332 0.29843390625183 0.87537030171160 18.998 25 F 0.52776681436970 0.84336767326614 0.12413001823321 18.998 26 F 0.02776681436970 0.65663232673386 0.87586998176679 18.998 27 F 0.47223318563030 0.15663232673387 0.12413001823321 18.998 28 F 0.97223318563030 0.34336767326613 0.87586998176679 18.998 29 F 0.78412261729962 0.98364824292395 0.16956820125413 18.998 30 F 0.28412261729962 0.51635175707605 0.83043179874587 18.998 31 F 0.21587738270038 0.01635175707605 0.16956820125413 18.998 32 F 0.71587738270038 0.48364824292395 0.83043179874587 18.998 33 F 0.56321601813726 0.65911242383407 0.29420712965126 18.998 34 F 0.06321601813726 0.84088757616593 0.70579287034874 18.998 35 F 0.43678398186274 0.34088757616593 0.29420712965126 18.998 36 F 0.93678398186274 0.15911242383408 0.70579287034874 18.998 37 F 0.90947609217071 0.61072775316774 0.29367549491465 18.998 38 F 0.40947609217071 0.88927224683226 0.70632450508535 18.998 39 F 0.09052390782929 0.38927224683226 0.29367549491465 18.998 40 F 0.59052390782929 0.11072775316774 0.70632450508535 18.998 41 F 0.93370485690113 0.84759023261985 0.36510803988920 18.998 42 F 0.43370485690113 0.65240976738015 0.63489196011080 18.998 43 F 0.06629514309887 0.15240976738015 0.36510803988920 18.998 44 F 0.58853997906271 0.88990578827699 0.37059382476593 18.998 45 Sr 0.26462495198365 0.79375522572509 0.25340525843411 87.620 46 Sr 0.76462495198365 0.70624477427491 0.74659474156589 87.620 47 Sr 0.73537504801635 0.20624477427491 0.25340525843411 87.620 48 Sr 0.23537504801635 0.29375522572509 0.74659474156589 87.620 49 Sr 0.00000000000000 0.00000000000000 0.98056805747579 87.620 50 Sr 0.50000000000000 0.50000000000000 0.01943194252421 87.620 51 Sr 0.50000000000000 0.00000000000000 0.93643828446614 87.620 52 Sr 0.00000000000000 0.50000000000000 0.06356171553386 87.620 53 Sr 0.50000000000000 0.50000000000000 0.46129786056388 87.620 54 Sr 0.00000000000000 0.00000000000000 0.53870213943612 87.620 55 Zr 0.75353142462247 0.78836565670706 0.22597682485145 91.224 56 Zr 0.25353142462246 0.71163434329294 0.77402317514855 91.224 57 Zr 0.24646857537753 0.21163434329294 0.22597682485145 91.224 58 Zr 0.74646857537753 0.28836565670706 0.77402317514855 91.224 59 Zr 0.00000000000000 0.50000000000000 0.46164001515065 91.224 60 Zr 0.50000000000000 0.00000000000000 0.53835998484935 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.211844099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.302695839999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.261090930000000 Atomic positions (fractional): 1 F 0.35708104404915 0.10711895742179 0.47303520969568 18.998 > 1 2 F 0.85708104404915 0.10711895742179 0.47303520969568 18.998 > 1 3 F 0.10708104404915 0.39288104257821 0.52696479030432 18.998 > 3 4 F 0.60708104404915 0.39288104257821 0.52696479030432 18.998 > 3 5 F 0.14291895595085 0.89288104257821 0.47303520969568 18.998 > 5 6 F 0.64291895595085 0.89288104257821 0.47303520969568 18.998 > 5 7 F 0.39291895595085 0.60711895742179 0.52696479030432 18.998 > 7 8 F 0.89291895595085 0.60711895742179 0.52696479030432 18.998 > 7 9 F 0.36800398416626 0.38742573270218 0.11447027910202 18.998 > 9 10 F 0.86800398416626 0.38742573270218 0.11447027910202 18.998 > 9 11 F 0.11800398416626 0.11257426729782 0.88552972089798 18.998 > 11 12 F 0.61800398416626 0.11257426729782 0.88552972089798 18.998 > 11 13 F 0.13199601583374 0.61257426729782 0.11447027910202 18.998 > 13 14 F 0.63199601583374 0.61257426729782 0.11447027910202 18.998 > 13 15 F 0.38199601583374 0.88742573270218 0.88552972089798 18.998 > 15 16 F 0.88199601583374 0.88742573270218 0.88552972089798 18.998 > 15 17 F 0.35645404459064 0.89159123219897 0.60036257969978 18.998 > 17 18 F 0.85645404459064 0.89159123219897 0.60036257969978 18.998 > 17 19 F 0.10645404459064 0.60840876780103 0.39963742030022 18.998 > 19 20 F 0.60645404459064 0.60840876780103 0.39963742030022 18.998 > 19 21 F 0.14354595540936 0.10840876780103 0.60036257969978 18.998 > 21 22 F 0.64354595540936 0.10840876780103 0.60036257969978 18.998 > 21 23 F 0.39354595540936 0.39159123219897 0.39963742030022 18.998 > 23 24 F 0.89354595540936 0.39159123219897 0.39963742030022 18.998 > 23 25 F 0.45573001046864 0.38990578827700 0.62940617523407 18.998 > 25 26 F 0.95573001046865 0.38990578827700 0.62940617523407 18.998 > 25 27 F 0.20573001046865 0.11009421172301 0.37059382476593 18.998 > 27 28 F 0.70573001046865 0.11009421172301 0.37059382476593 18.998 > 27 29 F 0.28314757154943 0.34759023261985 0.63489196011080 18.998 > 29 30 F 0.78314757154943 0.34759023261985 0.63489196011080 18.998 > 29 31 F 0.04426998953135 0.61009421172301 0.62940617523407 18.998 > 31 32 F 0.54426998953135 0.61009421172301 0.62940617523407 18.998 > 31 33 F 0.37009213786496 0.65355113174604 0.07572541279276 18.998 > 33 34 F 0.87009213786496 0.65355113174604 0.07572541279276 18.998 > 33 35 F 0.12009213786496 0.84644886825396 0.92427458720724 18.998 > 35 36 F 0.62009213786496 0.84644886825396 0.92427458720724 18.998 > 35 37 F 0.12990786213504 0.34644886825396 0.07572541279276 18.998 > 37 38 F 0.62990786213504 0.34644886825396 0.07572541279276 18.998 > 37 39 F 0.37990786213504 0.15355113174604 0.92427458720724 18.998 > 39 40 F 0.87990786213504 0.15355113174604 0.92427458720724 18.998 > 39 41 F 0.49472435267334 0.79843390625183 0.12462969828840 18.998 > 41 42 F 0.99472435267334 0.79843390625183 0.12462969828840 18.998 > 41 43 F 0.24472435267334 0.70156609374817 0.87537030171160 18.998 > 43 44 F 0.74472435267334 0.70156609374817 0.87537030171160 18.998 > 43 45 F 0.00527564732666 0.20156609374817 0.12462969828840 18.998 > 45 46 F 0.50527564732666 0.20156609374817 0.12462969828840 18.998 > 45 47 F 0.25527564732666 0.29843390625183 0.87537030171160 18.998 > 47 48 F 0.75527564732666 0.29843390625183 0.87537030171160 18.998 > 47 49 F 0.26388340718485 0.84336767326614 0.12413001823321 18.998 > 49 50 F 0.76388340718485 0.84336767326614 0.12413001823321 18.998 > 49 51 F 0.01388340718485 0.65663232673386 0.87586998176679 18.998 > 51 52 F 0.51388340718485 0.65663232673386 0.87586998176679 18.998 > 51 53 F 0.23611659281515 0.15663232673387 0.12413001823321 18.998 > 53 54 F 0.73611659281515 0.15663232673387 0.12413001823321 18.998 > 53 55 F 0.48611659281515 0.34336767326613 0.87586998176679 18.998 > 55 56 F 0.98611659281515 0.34336767326613 0.87586998176679 18.998 > 55 57 F 0.39206130864981 0.98364824292395 0.16956820125413 18.998 > 57 58 F 0.89206130864981 0.98364824292395 0.16956820125413 18.998 > 57 59 F 0.14206130864981 0.51635175707605 0.83043179874587 18.998 > 59 60 F 0.64206130864981 0.51635175707605 0.83043179874587 18.998 > 59 61 F 0.10793869135019 0.01635175707605 0.16956820125413 18.998 > 61 62 F 0.60793869135019 0.01635175707605 0.16956820125413 18.998 > 61 63 F 0.35793869135019 0.48364824292395 0.83043179874587 18.998 > 63 64 F 0.85793869135019 0.48364824292395 0.83043179874587 18.998 > 63 65 F 0.28160800906863 0.65911242383407 0.29420712965126 18.998 > 65 66 F 0.78160800906863 0.65911242383407 0.29420712965126 18.998 > 65 67 F 0.03160800906863 0.84088757616593 0.70579287034874 18.998 > 67 68 F 0.53160800906863 0.84088757616593 0.70579287034874 18.998 > 67 69 F 0.21839199093137 0.34088757616593 0.29420712965126 18.998 > 69 70 F 0.71839199093137 0.34088757616593 0.29420712965126 18.998 > 69 71 F 0.46839199093137 0.15911242383408 0.70579287034874 18.998 > 71 72 F 0.96839199093137 0.15911242383408 0.70579287034874 18.998 > 71 73 F 0.45473804608536 0.61072775316774 0.29367549491465 18.998 > 73 74 F 0.95473804608535 0.61072775316774 0.29367549491465 18.998 > 73 75 F 0.20473804608536 0.88927224683226 0.70632450508535 18.998 > 75 76 F 0.70473804608536 0.88927224683226 0.70632450508535 18.998 > 75 77 F 0.04526195391464 0.38927224683226 0.29367549491465 18.998 > 77 78 F 0.54526195391465 0.38927224683226 0.29367549491465 18.998 > 77 79 F 0.29526195391464 0.11072775316774 0.70632450508535 18.998 > 79 80 F 0.79526195391465 0.11072775316774 0.70632450508535 18.998 > 79 81 F 0.46685242845057 0.84759023261985 0.36510803988920 18.998 > 81 82 F 0.96685242845057 0.84759023261985 0.36510803988920 18.998 > 81 83 F 0.21685242845057 0.65240976738015 0.63489196011080 18.998 > 83 84 F 0.71685242845057 0.65240976738015 0.63489196011080 18.998 > 83 85 F 0.03314757154943 0.15240976738015 0.36510803988920 18.998 > 85 86 F 0.53314757154943 0.15240976738015 0.36510803988920 18.998 > 85 87 F 0.29426998953136 0.88990578827699 0.37059382476593 18.998 > 87 88 F 0.79426998953135 0.88990578827699 0.37059382476593 18.998 > 87 89 Sr 0.13231247599183 0.79375522572509 0.25340525843411 87.620 > 89 90 Sr 0.63231247599183 0.79375522572509 0.25340525843411 87.620 > 89 91 Sr 0.38231247599183 0.70624477427491 0.74659474156589 87.620 > 91 92 Sr 0.88231247599183 0.70624477427491 0.74659474156589 87.620 > 91 93 Sr 0.36768752400817 0.20624477427491 0.25340525843411 87.620 > 93 94 Sr 0.86768752400817 0.20624477427491 0.25340525843411 87.620 > 93 95 Sr 0.11768752400817 0.29375522572509 0.74659474156589 87.620 > 95 96 Sr 0.61768752400817 0.29375522572509 0.74659474156589 87.620 > 95 97 Sr 0.00000000000000 0.00000000000000 0.98056805747579 87.620 > 97 98 Sr 0.50000000000000 0.00000000000000 0.98056805747579 87.620 > 97 99 Sr 0.25000000000000 0.50000000000000 0.01943194252421 87.620 > 99 100 Sr 0.75000000000000 0.50000000000000 0.01943194252421 87.620 > 99 101 Sr 0.25000000000000 0.00000000000000 0.93643828446614 87.620 > 101 102 Sr 0.75000000000000 0.00000000000000 0.93643828446614 87.620 > 101 103 Sr 0.00000000000000 0.50000000000000 0.06356171553386 87.620 > 103 104 Sr 0.50000000000000 0.50000000000000 0.06356171553386 87.620 > 103 105 Sr 0.25000000000000 0.50000000000000 0.46129786056388 87.620 > 105 106 Sr 0.75000000000000 0.50000000000000 0.46129786056388 87.620 > 105 107 Sr 0.00000000000000 0.00000000000000 0.53870213943612 87.620 > 107 108 Sr 0.50000000000000 0.00000000000000 0.53870213943612 87.620 > 107 109 Zr 0.37676571231123 0.78836565670706 0.22597682485145 91.224 > 109 110 Zr 0.87676571231123 0.78836565670706 0.22597682485145 91.224 > 109 111 Zr 0.12676571231123 0.71163434329294 0.77402317514855 91.224 > 111 112 Zr 0.62676571231123 0.71163434329294 0.77402317514855 91.224 > 111 113 Zr 0.12323428768877 0.21163434329294 0.22597682485145 91.224 > 113 114 Zr 0.62323428768877 0.21163434329294 0.22597682485145 91.224 > 113 115 Zr 0.37323428768877 0.28836565670706 0.77402317514855 91.224 > 115 116 Zr 0.87323428768877 0.28836565670706 0.77402317514855 91.224 > 115 117 Zr 0.00000000000000 0.50000000000000 0.46164001515065 91.224 > 117 118 Zr 0.50000000000000 0.50000000000000 0.46164001515065 91.224 > 117 119 Zr 0.25000000000000 0.00000000000000 0.53835998484935 91.224 > 119 120 Zr 0.75000000000000 0.00000000000000 0.53835998484935 91.224 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6353592 0.0000000 0.0000000 0.0000000 2.5503540 0.0000000 0.0000000 0.0000000 2.5123960 -------------------------- Born effective charges -------------------------- 1 F -1.5239874 -0.3121078 0.2443249 -0.3310182 -1.0292546 0.3115602 0.2168403 0.2612707 -1.0448302 2 F -1.5239874 0.3121078 -0.2443249 0.3310182 -1.0292546 0.3115602 -0.2168403 0.2612707 -1.0448302 3 F -1.5239874 -0.3121078 -0.2443249 -0.3310182 -1.0292546 -0.3115602 -0.2168403 -0.2612707 -1.0448302 4 F -1.5239874 0.3121078 0.2443249 0.3310182 -1.0292546 -0.3115602 0.2168403 -0.2612707 -1.0448302 5 F -1.3717784 -0.0207602 -0.0728828 -0.0180970 -1.2841226 0.3576119 -0.0981686 0.3292810 -1.0981179 6 F -1.3717784 0.0207602 0.0728828 0.0180970 -1.2841226 0.3576119 0.0981686 0.3292810 -1.0981179 7 F -1.3717784 -0.0207602 0.0728828 -0.0180970 -1.2841226 -0.3576119 0.0981686 -0.3292810 -1.0981179 8 F -1.3717784 0.0207602 -0.0728828 0.0180970 -1.2841226 -0.3576119 -0.0981686 -0.3292810 -1.0981179 9 F -1.5516349 0.3875259 -0.2302124 0.4046680 -1.2136836 0.3466168 -0.2211757 0.3611138 -0.9010619 10 F -1.5516349 -0.3875259 0.2302124 -0.4046680 -1.2136836 0.3466168 0.2211757 0.3611138 -0.9010619 11 F -1.5516349 0.3875259 0.2302124 0.4046680 -1.2136836 -0.3466168 0.2211757 -0.3611138 -0.9010619 12 F -1.5516349 -0.3875259 -0.2302124 -0.4046680 -1.2136836 -0.3466168 -0.2211757 -0.3611138 -0.9010619 13 F -1.0869751 -0.3789397 0.5493114 -0.4019374 -1.1184014 0.7182842 0.5551406 0.6625217 -1.6226026 14 F -1.0869751 0.3789397 -0.5493114 0.4019374 -1.1184014 0.7182842 -0.5551406 0.6625217 -1.6226026 15 F -1.3079326 0.2385113 -0.4633891 0.2445486 -0.9547076 0.3959683 -0.4748976 0.3747084 -1.3317307 16 F -1.0869751 -0.3789397 -0.5493114 -0.4019374 -1.1184014 -0.7182842 -0.5551406 -0.6625217 -1.6226026 17 F -0.9737586 -0.0374351 -0.0942676 -0.0412360 -1.4285335 -0.5924149 -0.1063739 -0.5917036 -1.3088369 18 F -0.9737586 0.0374351 0.0942676 0.0412360 -1.4285335 -0.5924149 0.1063739 -0.5917036 -1.3088369 19 F -0.9737586 -0.0374351 0.0942676 -0.0412360 -1.4285335 0.5924149 0.1063739 0.5917036 -1.3088369 20 F -0.9737586 0.0374351 -0.0942676 0.0412360 -1.4285335 0.5924149 -0.1063739 0.5917036 -1.3088369 21 F -1.6468400 -0.0670272 0.2749909 -0.0685482 -0.9160814 0.1636667 0.3188117 0.1879030 -1.0698433 22 F -1.6468400 0.0670272 -0.2749909 0.0685482 -0.9160814 0.1636667 -0.3188117 0.1879030 -1.0698433 23 F -1.6468400 -0.0670272 -0.2749909 -0.0685482 -0.9160814 -0.1636667 -0.3188117 -0.1879030 -1.0698433 24 F -1.6468400 0.0670272 0.2749909 0.0685482 -0.9160814 -0.1636667 0.3188117 -0.1879030 -1.0698433 25 F -1.5969826 0.2053251 -0.2752015 0.1673574 -0.8701602 0.2759869 -0.3186719 0.3307256 -1.2081876 26 F -1.5969826 -0.2053251 0.2752015 -0.1673574 -0.8701602 0.2759869 0.3186719 0.3307256 -1.2081876 27 F -1.5969826 0.2053251 0.2752015 0.1673574 -0.8701602 -0.2759869 0.3186719 -0.3307256 -1.2081876 28 F -1.5969826 -0.2053251 -0.2752015 -0.1673574 -0.8701602 -0.2759869 -0.3186719 -0.3307256 -1.2081876 29 F -0.8355402 -0.1106969 0.1607423 -0.0805217 -1.8433088 0.1785121 0.1533178 0.2177849 -0.9839889 30 F -0.8355402 0.1106969 -0.1607423 0.0805217 -1.8433088 0.1785121 -0.1533178 0.2177849 -0.9839889 31 F -0.8355402 -0.1106969 -0.1607423 -0.0805217 -1.8433088 -0.1785121 -0.1533178 -0.2177849 -0.9839889 32 F -0.8355402 0.1106969 0.1607423 0.0805217 -1.8433088 -0.1785121 0.1533178 -0.2177849 -0.9839889 33 F -1.3583391 -0.4079932 0.2615731 -0.4298156 -1.3272171 0.3922385 0.2639658 0.3959519 -1.0159904 34 F -1.3583391 0.4079932 -0.2615731 0.4298156 -1.3272171 0.3922385 -0.2639658 0.3959519 -1.0159904 35 F -1.3583391 -0.4079932 -0.2615731 -0.4298156 -1.3272171 -0.3922385 -0.2639658 -0.3959519 -1.0159904 36 F -1.3583391 0.4079932 0.2615731 0.4298156 -1.3272171 -0.3922385 0.2639658 -0.3959519 -1.0159904 37 F -0.9499682 0.4784136 -0.3237557 0.5077633 -1.4517321 0.5605729 -0.3210254 0.5401892 -1.4158176 38 F -0.9499682 -0.4784136 0.3237557 -0.5077633 -1.4517321 0.5605729 0.3210254 0.5401892 -1.4158176 39 F -0.9499682 0.4784136 0.3237557 0.5077633 -1.4517321 -0.5605729 0.3210254 -0.5401892 -1.4158176 40 F -0.9499682 -0.4784136 -0.3237557 -0.5077633 -1.4517321 -0.5605729 -0.3210254 -0.5401892 -1.4158176 41 F -1.3079326 -0.2385113 -0.4633891 -0.2445486 -0.9547076 -0.3959683 -0.4748976 -0.3747084 -1.3317307 42 F -1.3079326 0.2385113 0.4633891 0.2445486 -0.9547076 -0.3959683 0.4748976 -0.3747084 -1.3317307 43 F -1.3079326 -0.2385113 0.4633891 -0.2445486 -0.9547076 0.3959683 0.4748976 0.3747084 -1.3317307 44 F -1.0869751 0.3789397 0.5493114 0.4019374 -1.1184014 -0.7182842 0.5551406 -0.6625217 -1.6226026 45 Sr 2.6751079 0.1247944 0.0266855 0.0593493 2.6578517 0.1031611 0.0324527 0.0614648 2.3800932 46 Sr 2.6751079 -0.1247944 -0.0266855 -0.0593493 2.6578517 0.1031611 -0.0324527 0.0614648 2.3800932 47 Sr 2.6751079 0.1247944 -0.0266855 0.0593493 2.6578517 -0.1031611 -0.0324527 -0.0614648 2.3800932 48 Sr 2.6751079 -0.1247944 0.0266855 -0.0593493 2.6578517 -0.1031611 0.0324527 -0.0614648 2.3800932 49 Sr 2.6767167 0.1720365 0.0000000 0.0765791 2.5227031 -0.0000000 -0.0000000 0.0000000 2.4650641 50 Sr 2.6767167 -0.1720365 0.0000000 -0.0765791 2.5227031 -0.0000000 -0.0000000 0.0000000 2.4650641 51 Sr 2.5905787 -0.1288225 0.0000000 -0.0148098 2.5589725 -0.0000000 -0.0000000 0.0000000 2.5488843 52 Sr 2.5905787 0.1288225 0.0000000 0.0148098 2.5589725 -0.0000000 -0.0000000 0.0000000 2.5488843 53 Sr 2.8304419 -0.0054501 0.0000000 -0.0006349 2.4619864 -0.0000000 -0.0000000 0.0000000 2.4896523 54 Sr 2.8304419 0.0054501 0.0000000 0.0006349 2.4619864 -0.0000000 -0.0000000 0.0000000 2.4896523 55 Zr 4.9605308 0.0037689 -0.0014209 0.0260212 4.7881886 0.2029836 -0.0094428 -0.0146977 4.4168163 56 Zr 4.9605308 -0.0037689 0.0014209 -0.0260212 4.7881886 0.2029836 0.0094428 -0.0146977 4.4168163 57 Zr 4.9605308 0.0037689 0.0014209 0.0260212 4.7881886 -0.2029836 0.0094428 0.0146977 4.4168163 58 Zr 4.9605308 -0.0037689 -0.0014209 -0.0260212 4.7881886 -0.2029836 -0.0094428 0.0146977 4.4168163 59 Zr 5.0384596 0.0681295 0.0000000 0.0625414 4.4386631 -0.0000000 -0.0000000 0.0000000 4.9045967 60 Zr 5.0384596 -0.0681295 0.0000000 -0.0625414 4.4386631 -0.0000000 -0.0000000 0.0000000 4.9045967 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 117, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:54:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:54:02]------------------------- 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_12_12 (18) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.605922049999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.302695839999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.261090930000000 Atomic positions (fractional): 1 F 0.71416208809830 0.10711895742179 0.47303520969568 18.998 2 F 0.21416208809830 0.39288104257821 0.52696479030432 18.998 3 F 0.28583791190170 0.89288104257821 0.47303520969568 18.998 4 F 0.78583791190170 0.60711895742179 0.52696479030432 18.998 5 F 0.73600796833252 0.38742573270218 0.11447027910202 18.998 6 F 0.23600796833252 0.11257426729782 0.88552972089798 18.998 7 F 0.26399203166748 0.61257426729782 0.11447027910202 18.998 8 F 0.76399203166748 0.88742573270218 0.88552972089798 18.998 9 F 0.71290808918128 0.89159123219897 0.60036257969978 18.998 10 F 0.21290808918128 0.60840876780103 0.39963742030022 18.998 11 F 0.28709191081872 0.10840876780103 0.60036257969978 18.998 12 F 0.78709191081872 0.39159123219897 0.39963742030022 18.998 13 F 0.91146002093729 0.38990578827700 0.62940617523407 18.998 14 F 0.41146002093729 0.11009421172301 0.37059382476593 18.998 15 F 0.56629514309887 0.34759023261985 0.63489196011080 18.998 16 F 0.08853997906271 0.61009421172301 0.62940617523407 18.998 17 F 0.74018427572993 0.65355113174604 0.07572541279276 18.998 18 F 0.24018427572993 0.84644886825396 0.92427458720724 18.998 19 F 0.25981572427007 0.34644886825396 0.07572541279276 18.998 20 F 0.75981572427007 0.15355113174604 0.92427458720724 18.998 21 F 0.98944870534668 0.79843390625183 0.12462969828840 18.998 22 F 0.48944870534668 0.70156609374817 0.87537030171160 18.998 23 F 0.01055129465332 0.20156609374817 0.12462969828840 18.998 24 F 0.51055129465332 0.29843390625183 0.87537030171160 18.998 25 F 0.52776681436970 0.84336767326614 0.12413001823321 18.998 26 F 0.02776681436970 0.65663232673386 0.87586998176679 18.998 27 F 0.47223318563030 0.15663232673387 0.12413001823321 18.998 28 F 0.97223318563030 0.34336767326613 0.87586998176679 18.998 29 F 0.78412261729962 0.98364824292395 0.16956820125413 18.998 30 F 0.28412261729962 0.51635175707605 0.83043179874587 18.998 31 F 0.21587738270038 0.01635175707605 0.16956820125413 18.998 32 F 0.71587738270038 0.48364824292395 0.83043179874587 18.998 33 F 0.56321601813726 0.65911242383407 0.29420712965126 18.998 34 F 0.06321601813726 0.84088757616593 0.70579287034874 18.998 35 F 0.43678398186274 0.34088757616593 0.29420712965126 18.998 36 F 0.93678398186274 0.15911242383408 0.70579287034874 18.998 37 F 0.90947609217071 0.61072775316774 0.29367549491465 18.998 38 F 0.40947609217071 0.88927224683226 0.70632450508535 18.998 39 F 0.09052390782929 0.38927224683226 0.29367549491465 18.998 40 F 0.59052390782929 0.11072775316774 0.70632450508535 18.998 41 F 0.93370485690113 0.84759023261985 0.36510803988920 18.998 42 F 0.43370485690113 0.65240976738015 0.63489196011080 18.998 43 F 0.06629514309887 0.15240976738015 0.36510803988920 18.998 44 F 0.58853997906271 0.88990578827699 0.37059382476593 18.998 45 Sr 0.26462495198365 0.79375522572509 0.25340525843411 87.620 46 Sr 0.76462495198365 0.70624477427491 0.74659474156589 87.620 47 Sr 0.73537504801635 0.20624477427491 0.25340525843411 87.620 48 Sr 0.23537504801635 0.29375522572509 0.74659474156589 87.620 49 Sr 0.00000000000000 0.00000000000000 0.98056805747579 87.620 50 Sr 0.50000000000000 0.50000000000000 0.01943194252421 87.620 51 Sr 0.50000000000000 0.00000000000000 0.93643828446614 87.620 52 Sr 0.00000000000000 0.50000000000000 0.06356171553386 87.620 53 Sr 0.50000000000000 0.50000000000000 0.46129786056388 87.620 54 Sr 0.00000000000000 0.00000000000000 0.53870213943612 87.620 55 Zr 0.75353142462247 0.78836565670706 0.22597682485145 91.224 56 Zr 0.25353142462246 0.71163434329294 0.77402317514855 91.224 57 Zr 0.24646857537753 0.21163434329294 0.22597682485145 91.224 58 Zr 0.74646857537753 0.28836565670706 0.77402317514855 91.224 59 Zr 0.00000000000000 0.50000000000000 0.46164001515065 91.224 60 Zr 0.50000000000000 0.00000000000000 0.53835998484935 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.211844099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.302695839999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.261090930000000 Atomic positions (fractional): 1 F 0.35708104404915 0.10711895742179 0.47303520969568 18.998 > 1 2 F 0.85708104404915 0.10711895742179 0.47303520969568 18.998 > 1 3 F 0.10708104404915 0.39288104257821 0.52696479030432 18.998 > 3 4 F 0.60708104404915 0.39288104257821 0.52696479030432 18.998 > 3 5 F 0.14291895595085 0.89288104257821 0.47303520969568 18.998 > 5 6 F 0.64291895595085 0.89288104257821 0.47303520969568 18.998 > 5 7 F 0.39291895595085 0.60711895742179 0.52696479030432 18.998 > 7 8 F 0.89291895595085 0.60711895742179 0.52696479030432 18.998 > 7 9 F 0.36800398416626 0.38742573270218 0.11447027910202 18.998 > 9 10 F 0.86800398416626 0.38742573270218 0.11447027910202 18.998 > 9 11 F 0.11800398416626 0.11257426729782 0.88552972089798 18.998 > 11 12 F 0.61800398416626 0.11257426729782 0.88552972089798 18.998 > 11 13 F 0.13199601583374 0.61257426729782 0.11447027910202 18.998 > 13 14 F 0.63199601583374 0.61257426729782 0.11447027910202 18.998 > 13 15 F 0.38199601583374 0.88742573270218 0.88552972089798 18.998 > 15 16 F 0.88199601583374 0.88742573270218 0.88552972089798 18.998 > 15 17 F 0.35645404459064 0.89159123219897 0.60036257969978 18.998 > 17 18 F 0.85645404459064 0.89159123219897 0.60036257969978 18.998 > 17 19 F 0.10645404459064 0.60840876780103 0.39963742030022 18.998 > 19 20 F 0.60645404459064 0.60840876780103 0.39963742030022 18.998 > 19 21 F 0.14354595540936 0.10840876780103 0.60036257969978 18.998 > 21 22 F 0.64354595540936 0.10840876780103 0.60036257969978 18.998 > 21 23 F 0.39354595540936 0.39159123219897 0.39963742030022 18.998 > 23 24 F 0.89354595540936 0.39159123219897 0.39963742030022 18.998 > 23 25 F 0.45573001046864 0.38990578827700 0.62940617523407 18.998 > 25 26 F 0.95573001046865 0.38990578827700 0.62940617523407 18.998 > 25 27 F 0.20573001046865 0.11009421172301 0.37059382476593 18.998 > 27 28 F 0.70573001046865 0.11009421172301 0.37059382476593 18.998 > 27 29 F 0.28314757154943 0.34759023261985 0.63489196011080 18.998 > 29 30 F 0.78314757154943 0.34759023261985 0.63489196011080 18.998 > 29 31 F 0.04426998953135 0.61009421172301 0.62940617523407 18.998 > 31 32 F 0.54426998953135 0.61009421172301 0.62940617523407 18.998 > 31 33 F 0.37009213786496 0.65355113174604 0.07572541279276 18.998 > 33 34 F 0.87009213786496 0.65355113174604 0.07572541279276 18.998 > 33 35 F 0.12009213786496 0.84644886825396 0.92427458720724 18.998 > 35 36 F 0.62009213786496 0.84644886825396 0.92427458720724 18.998 > 35 37 F 0.12990786213504 0.34644886825396 0.07572541279276 18.998 > 37 38 F 0.62990786213504 0.34644886825396 0.07572541279276 18.998 > 37 39 F 0.37990786213504 0.15355113174604 0.92427458720724 18.998 > 39 40 F 0.87990786213504 0.15355113174604 0.92427458720724 18.998 > 39 41 F 0.49472435267334 0.79843390625183 0.12462969828840 18.998 > 41 42 F 0.99472435267334 0.79843390625183 0.12462969828840 18.998 > 41 43 F 0.24472435267334 0.70156609374817 0.87537030171160 18.998 > 43 44 F 0.74472435267334 0.70156609374817 0.87537030171160 18.998 > 43 45 F 0.00527564732666 0.20156609374817 0.12462969828840 18.998 > 45 46 F 0.50527564732666 0.20156609374817 0.12462969828840 18.998 > 45 47 F 0.25527564732666 0.29843390625183 0.87537030171160 18.998 > 47 48 F 0.75527564732666 0.29843390625183 0.87537030171160 18.998 > 47 49 F 0.26388340718485 0.84336767326614 0.12413001823321 18.998 > 49 50 F 0.76388340718485 0.84336767326614 0.12413001823321 18.998 > 49 51 F 0.01388340718485 0.65663232673386 0.87586998176679 18.998 > 51 52 F 0.51388340718485 0.65663232673386 0.87586998176679 18.998 > 51 53 F 0.23611659281515 0.15663232673387 0.12413001823321 18.998 > 53 54 F 0.73611659281515 0.15663232673387 0.12413001823321 18.998 > 53 55 F 0.48611659281515 0.34336767326613 0.87586998176679 18.998 > 55 56 F 0.98611659281515 0.34336767326613 0.87586998176679 18.998 > 55 57 F 0.39206130864981 0.98364824292395 0.16956820125413 18.998 > 57 58 F 0.89206130864981 0.98364824292395 0.16956820125413 18.998 > 57 59 F 0.14206130864981 0.51635175707605 0.83043179874587 18.998 > 59 60 F 0.64206130864981 0.51635175707605 0.83043179874587 18.998 > 59 61 F 0.10793869135019 0.01635175707605 0.16956820125413 18.998 > 61 62 F 0.60793869135019 0.01635175707605 0.16956820125413 18.998 > 61 63 F 0.35793869135019 0.48364824292395 0.83043179874587 18.998 > 63 64 F 0.85793869135019 0.48364824292395 0.83043179874587 18.998 > 63 65 F 0.28160800906863 0.65911242383407 0.29420712965126 18.998 > 65 66 F 0.78160800906863 0.65911242383407 0.29420712965126 18.998 > 65 67 F 0.03160800906863 0.84088757616593 0.70579287034874 18.998 > 67 68 F 0.53160800906863 0.84088757616593 0.70579287034874 18.998 > 67 69 F 0.21839199093137 0.34088757616593 0.29420712965126 18.998 > 69 70 F 0.71839199093137 0.34088757616593 0.29420712965126 18.998 > 69 71 F 0.46839199093137 0.15911242383408 0.70579287034874 18.998 > 71 72 F 0.96839199093137 0.15911242383408 0.70579287034874 18.998 > 71 73 F 0.45473804608536 0.61072775316774 0.29367549491465 18.998 > 73 74 F 0.95473804608535 0.61072775316774 0.29367549491465 18.998 > 73 75 F 0.20473804608536 0.88927224683226 0.70632450508535 18.998 > 75 76 F 0.70473804608536 0.88927224683226 0.70632450508535 18.998 > 75 77 F 0.04526195391464 0.38927224683226 0.29367549491465 18.998 > 77 78 F 0.54526195391465 0.38927224683226 0.29367549491465 18.998 > 77 79 F 0.29526195391464 0.11072775316774 0.70632450508535 18.998 > 79 80 F 0.79526195391465 0.11072775316774 0.70632450508535 18.998 > 79 81 F 0.46685242845057 0.84759023261985 0.36510803988920 18.998 > 81 82 F 0.96685242845057 0.84759023261985 0.36510803988920 18.998 > 81 83 F 0.21685242845057 0.65240976738015 0.63489196011080 18.998 > 83 84 F 0.71685242845057 0.65240976738015 0.63489196011080 18.998 > 83 85 F 0.03314757154943 0.15240976738015 0.36510803988920 18.998 > 85 86 F 0.53314757154943 0.15240976738015 0.36510803988920 18.998 > 85 87 F 0.29426998953136 0.88990578827699 0.37059382476593 18.998 > 87 88 F 0.79426998953135 0.88990578827699 0.37059382476593 18.998 > 87 89 Sr 0.13231247599183 0.79375522572509 0.25340525843411 87.620 > 89 90 Sr 0.63231247599183 0.79375522572509 0.25340525843411 87.620 > 89 91 Sr 0.38231247599183 0.70624477427491 0.74659474156589 87.620 > 91 92 Sr 0.88231247599183 0.70624477427491 0.74659474156589 87.620 > 91 93 Sr 0.36768752400817 0.20624477427491 0.25340525843411 87.620 > 93 94 Sr 0.86768752400817 0.20624477427491 0.25340525843411 87.620 > 93 95 Sr 0.11768752400817 0.29375522572509 0.74659474156589 87.620 > 95 96 Sr 0.61768752400817 0.29375522572509 0.74659474156589 87.620 > 95 97 Sr 0.00000000000000 0.00000000000000 0.98056805747579 87.620 > 97 98 Sr 0.50000000000000 0.00000000000000 0.98056805747579 87.620 > 97 99 Sr 0.25000000000000 0.50000000000000 0.01943194252421 87.620 > 99 100 Sr 0.75000000000000 0.50000000000000 0.01943194252421 87.620 > 99 101 Sr 0.25000000000000 0.00000000000000 0.93643828446614 87.620 > 101 102 Sr 0.75000000000000 0.00000000000000 0.93643828446614 87.620 > 101 103 Sr 0.00000000000000 0.50000000000000 0.06356171553386 87.620 > 103 104 Sr 0.50000000000000 0.50000000000000 0.06356171553386 87.620 > 103 105 Sr 0.25000000000000 0.50000000000000 0.46129786056388 87.620 > 105 106 Sr 0.75000000000000 0.50000000000000 0.46129786056388 87.620 > 105 107 Sr 0.00000000000000 0.00000000000000 0.53870213943612 87.620 > 107 108 Sr 0.50000000000000 0.00000000000000 0.53870213943612 87.620 > 107 109 Zr 0.37676571231123 0.78836565670706 0.22597682485145 91.224 > 109 110 Zr 0.87676571231123 0.78836565670706 0.22597682485145 91.224 > 109 111 Zr 0.12676571231123 0.71163434329294 0.77402317514855 91.224 > 111 112 Zr 0.62676571231123 0.71163434329294 0.77402317514855 91.224 > 111 113 Zr 0.12323428768877 0.21163434329294 0.22597682485145 91.224 > 113 114 Zr 0.62323428768877 0.21163434329294 0.22597682485145 91.224 > 113 115 Zr 0.37323428768877 0.28836565670706 0.77402317514855 91.224 > 115 116 Zr 0.87323428768877 0.28836565670706 0.77402317514855 91.224 > 115 117 Zr 0.00000000000000 0.50000000000000 0.46164001515065 91.224 > 117 118 Zr 0.50000000000000 0.50000000000000 0.46164001515065 91.224 > 117 119 Zr 0.25000000000000 0.00000000000000 0.53835998484935 91.224 > 119 120 Zr 0.75000000000000 0.00000000000000 0.53835998484935 91.224 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6353592 0.0000000 0.0000000 0.0000000 2.5503540 0.0000000 0.0000000 0.0000000 2.5123960 -------------------------- Born effective charges -------------------------- 1 F -1.5239874 -0.3121078 0.2443249 -0.3310182 -1.0292546 0.3115602 0.2168403 0.2612707 -1.0448302 2 F -1.5239874 0.3121078 -0.2443249 0.3310182 -1.0292546 0.3115602 -0.2168403 0.2612707 -1.0448302 3 F -1.5239874 -0.3121078 -0.2443249 -0.3310182 -1.0292546 -0.3115602 -0.2168403 -0.2612707 -1.0448302 4 F -1.5239874 0.3121078 0.2443249 0.3310182 -1.0292546 -0.3115602 0.2168403 -0.2612707 -1.0448302 5 F -1.3717784 -0.0207602 -0.0728828 -0.0180970 -1.2841226 0.3576119 -0.0981686 0.3292810 -1.0981179 6 F -1.3717784 0.0207602 0.0728828 0.0180970 -1.2841226 0.3576119 0.0981686 0.3292810 -1.0981179 7 F -1.3717784 -0.0207602 0.0728828 -0.0180970 -1.2841226 -0.3576119 0.0981686 -0.3292810 -1.0981179 8 F -1.3717784 0.0207602 -0.0728828 0.0180970 -1.2841226 -0.3576119 -0.0981686 -0.3292810 -1.0981179 9 F -1.5516349 0.3875259 -0.2302124 0.4046680 -1.2136836 0.3466168 -0.2211757 0.3611138 -0.9010619 10 F -1.5516349 -0.3875259 0.2302124 -0.4046680 -1.2136836 0.3466168 0.2211757 0.3611138 -0.9010619 11 F -1.5516349 0.3875259 0.2302124 0.4046680 -1.2136836 -0.3466168 0.2211757 -0.3611138 -0.9010619 12 F -1.5516349 -0.3875259 -0.2302124 -0.4046680 -1.2136836 -0.3466168 -0.2211757 -0.3611138 -0.9010619 13 F -1.0869751 -0.3789397 0.5493114 -0.4019374 -1.1184014 0.7182842 0.5551406 0.6625217 -1.6226026 14 F -1.0869751 0.3789397 -0.5493114 0.4019374 -1.1184014 0.7182842 -0.5551406 0.6625217 -1.6226026 15 F -1.3079326 0.2385113 -0.4633891 0.2445486 -0.9547076 0.3959683 -0.4748976 0.3747084 -1.3317307 16 F -1.0869751 -0.3789397 -0.5493114 -0.4019374 -1.1184014 -0.7182842 -0.5551406 -0.6625217 -1.6226026 17 F -0.9737586 -0.0374351 -0.0942676 -0.0412360 -1.4285335 -0.5924149 -0.1063739 -0.5917036 -1.3088369 18 F -0.9737586 0.0374351 0.0942676 0.0412360 -1.4285335 -0.5924149 0.1063739 -0.5917036 -1.3088369 19 F -0.9737586 -0.0374351 0.0942676 -0.0412360 -1.4285335 0.5924149 0.1063739 0.5917036 -1.3088369 20 F -0.9737586 0.0374351 -0.0942676 0.0412360 -1.4285335 0.5924149 -0.1063739 0.5917036 -1.3088369 21 F -1.6468400 -0.0670272 0.2749909 -0.0685482 -0.9160814 0.1636667 0.3188117 0.1879030 -1.0698433 22 F -1.6468400 0.0670272 -0.2749909 0.0685482 -0.9160814 0.1636667 -0.3188117 0.1879030 -1.0698433 23 F -1.6468400 -0.0670272 -0.2749909 -0.0685482 -0.9160814 -0.1636667 -0.3188117 -0.1879030 -1.0698433 24 F -1.6468400 0.0670272 0.2749909 0.0685482 -0.9160814 -0.1636667 0.3188117 -0.1879030 -1.0698433 25 F -1.5969826 0.2053251 -0.2752015 0.1673574 -0.8701602 0.2759869 -0.3186719 0.3307256 -1.2081876 26 F -1.5969826 -0.2053251 0.2752015 -0.1673574 -0.8701602 0.2759869 0.3186719 0.3307256 -1.2081876 27 F -1.5969826 0.2053251 0.2752015 0.1673574 -0.8701602 -0.2759869 0.3186719 -0.3307256 -1.2081876 28 F -1.5969826 -0.2053251 -0.2752015 -0.1673574 -0.8701602 -0.2759869 -0.3186719 -0.3307256 -1.2081876 29 F -0.8355402 -0.1106969 0.1607423 -0.0805217 -1.8433088 0.1785121 0.1533178 0.2177849 -0.9839889 30 F -0.8355402 0.1106969 -0.1607423 0.0805217 -1.8433088 0.1785121 -0.1533178 0.2177849 -0.9839889 31 F -0.8355402 -0.1106969 -0.1607423 -0.0805217 -1.8433088 -0.1785121 -0.1533178 -0.2177849 -0.9839889 32 F -0.8355402 0.1106969 0.1607423 0.0805217 -1.8433088 -0.1785121 0.1533178 -0.2177849 -0.9839889 33 F -1.3583391 -0.4079932 0.2615731 -0.4298156 -1.3272171 0.3922385 0.2639658 0.3959519 -1.0159904 34 F -1.3583391 0.4079932 -0.2615731 0.4298156 -1.3272171 0.3922385 -0.2639658 0.3959519 -1.0159904 35 F -1.3583391 -0.4079932 -0.2615731 -0.4298156 -1.3272171 -0.3922385 -0.2639658 -0.3959519 -1.0159904 36 F -1.3583391 0.4079932 0.2615731 0.4298156 -1.3272171 -0.3922385 0.2639658 -0.3959519 -1.0159904 37 F -0.9499682 0.4784136 -0.3237557 0.5077633 -1.4517321 0.5605729 -0.3210254 0.5401892 -1.4158176 38 F -0.9499682 -0.4784136 0.3237557 -0.5077633 -1.4517321 0.5605729 0.3210254 0.5401892 -1.4158176 39 F -0.9499682 0.4784136 0.3237557 0.5077633 -1.4517321 -0.5605729 0.3210254 -0.5401892 -1.4158176 40 F -0.9499682 -0.4784136 -0.3237557 -0.5077633 -1.4517321 -0.5605729 -0.3210254 -0.5401892 -1.4158176 41 F -1.3079326 -0.2385113 -0.4633891 -0.2445486 -0.9547076 -0.3959683 -0.4748976 -0.3747084 -1.3317307 42 F -1.3079326 0.2385113 0.4633891 0.2445486 -0.9547076 -0.3959683 0.4748976 -0.3747084 -1.3317307 43 F -1.3079326 -0.2385113 0.4633891 -0.2445486 -0.9547076 0.3959683 0.4748976 0.3747084 -1.3317307 44 F -1.0869751 0.3789397 0.5493114 0.4019374 -1.1184014 -0.7182842 0.5551406 -0.6625217 -1.6226026 45 Sr 2.6751079 0.1247944 0.0266855 0.0593493 2.6578517 0.1031611 0.0324527 0.0614648 2.3800932 46 Sr 2.6751079 -0.1247944 -0.0266855 -0.0593493 2.6578517 0.1031611 -0.0324527 0.0614648 2.3800932 47 Sr 2.6751079 0.1247944 -0.0266855 0.0593493 2.6578517 -0.1031611 -0.0324527 -0.0614648 2.3800932 48 Sr 2.6751079 -0.1247944 0.0266855 -0.0593493 2.6578517 -0.1031611 0.0324527 -0.0614648 2.3800932 49 Sr 2.6767167 0.1720365 0.0000000 0.0765791 2.5227031 -0.0000000 -0.0000000 0.0000000 2.4650641 50 Sr 2.6767167 -0.1720365 0.0000000 -0.0765791 2.5227031 -0.0000000 -0.0000000 0.0000000 2.4650641 51 Sr 2.5905787 -0.1288225 0.0000000 -0.0148098 2.5589725 -0.0000000 -0.0000000 0.0000000 2.5488843 52 Sr 2.5905787 0.1288225 0.0000000 0.0148098 2.5589725 -0.0000000 -0.0000000 0.0000000 2.5488843 53 Sr 2.8304419 -0.0054501 0.0000000 -0.0006349 2.4619864 -0.0000000 -0.0000000 0.0000000 2.4896523 54 Sr 2.8304419 0.0054501 0.0000000 0.0006349 2.4619864 -0.0000000 -0.0000000 0.0000000 2.4896523 55 Zr 4.9605308 0.0037689 -0.0014209 0.0260212 4.7881886 0.2029836 -0.0094428 -0.0146977 4.4168163 56 Zr 4.9605308 -0.0037689 0.0014209 -0.0260212 4.7881886 0.2029836 0.0094428 -0.0146977 4.4168163 57 Zr 4.9605308 0.0037689 0.0014209 0.0260212 4.7881886 -0.2029836 0.0094428 0.0146977 4.4168163 58 Zr 4.9605308 -0.0037689 -0.0014209 -0.0260212 4.7881886 -0.2029836 -0.0094428 0.0146977 4.4168163 59 Zr 5.0384596 0.0681295 0.0000000 0.0625414 4.4386631 -0.0000000 -0.0000000 0.0000000 4.9045967 60 Zr 5.0384596 -0.0681295 0.0000000 -0.0625414 4.4386631 -0.0000000 -0.0000000 0.0000000 4.9045967 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 307, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 36 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 1.479 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.313 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.846 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.331 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.480 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 4.946 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.679 ( 0.000 0.000 0.000) 0.000 5.734 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 5.951 ( 0.000 0.000 0.000) 0.000 6.075 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.368 ( 0.000 0.000 0.000) 0.000 6.473 ( 0.000 0.000 0.000) 0.000 6.607 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.788 ( 0.000 0.000 0.000) 0.000 6.862 ( 0.000 0.000 0.000) 0.000 6.878 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 7.137 ( 0.000 0.000 0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 7.686 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 7.784 ( 0.000 0.000 0.000) 0.000 7.820 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 7.974 ( 0.000 0.000 0.000) 0.000 7.979 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.344 ( 0.000 0.000 0.000) 0.000 8.463 ( 0.000 0.000 0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 8.647 ( 0.000 0.000 0.000) 0.000 8.649 ( 0.000 0.000 0.000) 0.000 8.758 ( 0.000 0.000 0.000) 0.000 8.830 ( 0.000 0.000 0.000) 0.000 8.893 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 9.091 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.138 ( 0.000 0.000 0.000) 0.000 9.187 ( 0.000 0.000 0.000) 0.000 9.220 ( 0.000 0.000 0.000) 0.000 9.236 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 9.321 ( 0.000 0.000 0.000) 0.000 9.330 ( 0.000 0.000 0.000) 0.000 9.572 ( 0.000 0.000 0.000) 0.000 9.592 ( 0.000 0.000 0.000) 0.000 9.678 ( 0.000 0.000 0.000) 0.000 9.788 ( 0.000 0.000 0.000) 0.000 9.823 ( 0.000 0.000 0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 10.036 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.090 ( 0.000 0.000 0.000) 0.000 10.095 ( 0.000 0.000 0.000) 0.000 10.273 ( 0.000 0.000 0.000) 0.000 10.291 ( 0.000 0.000 0.000) 0.000 10.304 ( 0.000 0.000 0.000) 0.000 10.318 ( 0.000 0.000 0.000) 0.000 10.511 ( 0.000 0.000 0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 10.716 ( 0.000 0.000 0.000) 0.000 10.743 ( 0.000 0.000 0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 10.859 ( 0.000 0.000 0.000) 0.000 10.928 ( 0.000 0.000 0.000) 0.000 11.073 ( 0.000 0.000 0.000) 0.000 11.091 ( 0.000 0.000 0.000) 0.000 11.162 ( 0.000 0.000 0.000) 0.000 11.300 ( 0.000 0.000 0.000) 0.000 11.329 ( 0.000 0.000 0.000) 0.000 11.396 ( 0.000 0.000 0.000) 0.000 11.531 ( 0.000 0.000 0.000) 0.000 11.653 ( 0.000 0.000 0.000) 0.000 11.704 ( 0.000 0.000 0.000) 0.000 11.728 ( 0.000 0.000 0.000) 0.000 11.776 ( 0.000 0.000 0.000) 0.000 11.823 ( 0.000 0.000 0.000) 0.000 11.936 ( 0.000 0.000 0.000) 0.000 12.061 ( 0.000 0.000 0.000) 0.000 12.075 ( 0.000 0.000 0.000) 0.000 12.140 ( 0.000 0.000 0.000) 0.000 12.439 ( 0.000 0.000 0.000) 0.000 12.439 ( 0.000 0.000 0.000) 0.000 12.467 ( 0.000 0.000 0.000) 0.000 12.826 ( 0.000 0.000 0.000) 0.000 12.860 ( 0.000 0.000 0.000) 0.000 12.861 ( 0.000 0.000 0.000) 0.000 13.151 ( 0.000 0.000 0.000) 0.000 13.395 ( 0.000 0.000 0.000) 0.000 13.446 ( 0.000 0.000 0.000) 0.000 13.612 ( 0.000 0.000 0.000) 0.000 13.635 ( 0.000 0.000 0.000) 0.000 13.669 ( 0.000 0.000 0.000) 0.000 13.844 ( 0.000 0.000 0.000) 0.000 13.984 ( 0.000 0.000 0.000) 0.000 14.254 ( 0.000 0.000 0.000) 0.000 14.783 ( 0.000 0.000 0.000) 0.000 15.359 ( 0.000 0.000 0.000) 0.000 15.799 ( 0.000 0.000 0.000) 0.000 16.068 ( 0.000 0.000 0.000) 0.000 16.102 ( 0.000 0.000 0.000) 0.000 16.194 ( 0.000 0.000 0.000) 0.000 16.397 ( 0.000 0.000 0.000) 0.000 16.449 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 25.482 0.000 0.000) 25.482 0.518 ( 26.777 0.000 0.000) 26.777 1.042 ( 52.921 0.000 0.000) 52.921 1.531 ( 5.308 0.000 0.000) 5.308 1.629 ( -5.603 0.000 0.000) 5.603 1.762 ( 1.171 0.000 0.000) 1.171 1.887 ( 12.395 0.000 0.000) 12.395 1.964 ( 5.638 0.000 0.000) 5.638 2.097 ( 4.152 0.000 0.000) 4.152 2.182 ( 4.994 0.000 0.000) 4.994 2.264 ( 7.878 0.000 0.000) 7.878 2.314 ( -0.261 0.000 0.000) 0.261 2.418 ( 1.534 0.000 0.000) 1.534 2.471 ( -0.731 0.000 0.000) 0.731 2.578 ( 4.289 0.000 0.000) 4.289 2.585 ( -1.852 0.000 0.000) 1.852 2.651 ( 0.328 0.000 0.000) 0.328 2.761 ( 4.237 0.000 0.000) 4.237 2.858 ( 7.585 0.000 0.000) 7.585 2.860 ( 2.686 0.000 0.000) 2.686 3.005 ( -1.212 0.000 0.000) 1.212 3.097 ( -2.231 0.000 0.000) 2.231 3.112 ( 5.556 0.000 0.000) 5.556 3.149 ( 0.565 0.000 0.000) 0.565 3.159 ( -0.203 0.000 0.000) 0.203 3.233 ( 0.186 0.000 0.000) 0.186 3.334 ( 5.465 0.000 0.000) 5.465 3.357 ( -1.197 0.000 0.000) 1.197 3.398 ( 0.979 0.000 0.000) 0.979 3.415 ( 1.206 0.000 0.000) 1.206 3.519 ( 3.954 0.000 0.000) 3.954 3.607 ( -3.886 0.000 0.000) 3.886 3.637 ( -1.687 0.000 0.000) 1.687 3.649 ( -3.042 0.000 0.000) 3.042 3.719 ( 2.111 0.000 0.000) 2.111 3.819 ( 1.910 0.000 0.000) 1.910 3.884 ( -1.674 0.000 0.000) 1.674 3.900 ( 5.128 0.000 0.000) 5.128 3.939 ( 0.148 0.000 0.000) 0.148 4.035 ( -0.376 0.000 0.000) 0.376 4.052 ( 1.256 0.000 0.000) 1.256 4.120 ( 2.587 0.000 0.000) 2.587 4.141 ( 0.834 0.000 0.000) 0.834 4.165 ( -0.420 0.000 0.000) 0.420 4.268 ( -0.037 0.000 0.000) 0.037 4.335 ( 1.440 0.000 0.000) 1.440 4.407 ( 0.101 0.000 0.000) 0.101 4.501 ( 2.364 0.000 0.000) 2.364 4.511 ( 5.002 0.000 0.000) 5.002 4.581 ( 4.900 0.000 0.000) 4.900 4.650 ( -1.715 0.000 0.000) 1.715 4.698 ( -2.372 0.000 0.000) 2.372 4.856 ( -1.797 0.000 0.000) 1.797 4.874 ( -0.488 0.000 0.000) 0.488 4.961 ( -2.426 0.000 0.000) 2.426 4.981 ( -3.631 0.000 0.000) 3.631 5.014 ( -5.182 0.000 0.000) 5.182 5.078 ( 0.413 0.000 0.000) 0.413 5.120 ( -0.433 0.000 0.000) 0.433 5.239 ( 0.747 0.000 0.000) 0.747 5.384 ( -3.440 0.000 0.000) 3.440 5.461 ( 1.378 0.000 0.000) 1.378 5.469 ( 6.880 0.000 0.000) 6.880 5.560 ( 4.393 0.000 0.000) 4.393 5.586 ( -4.864 0.000 0.000) 4.864 5.666 ( -3.247 0.000 0.000) 3.247 5.684 ( -5.398 0.000 0.000) 5.398 5.758 ( -3.620 0.000 0.000) 3.620 5.812 ( 2.746 0.000 0.000) 2.746 5.888 ( -5.390 0.000 0.000) 5.390 5.932 ( 4.102 0.000 0.000) 4.102 6.105 ( 1.765 0.000 0.000) 1.765 6.116 ( -0.177 0.000 0.000) 0.177 6.127 ( -0.055 0.000 0.000) 0.055 6.166 ( 1.690 0.000 0.000) 1.690 6.260 ( -2.729 0.000 0.000) 2.729 6.303 ( -0.102 0.000 0.000) 0.102 6.322 ( -2.579 0.000 0.000) 2.579 6.491 ( -2.143 0.000 0.000) 2.143 6.583 ( -2.594 0.000 0.000) 2.594 6.635 ( -1.000 0.000 0.000) 1.000 6.700 ( 2.719 0.000 0.000) 2.719 6.793 ( -5.015 0.000 0.000) 5.015 6.816 ( 2.394 0.000 0.000) 2.394 6.860 ( -2.049 0.000 0.000) 2.049 6.884 ( -6.130 0.000 0.000) 6.130 6.999 ( 1.238 0.000 0.000) 1.238 7.120 ( 0.573 0.000 0.000) 0.573 7.141 ( 2.062 0.000 0.000) 2.062 7.545 ( -4.672 0.000 0.000) 4.672 7.663 ( -0.699 0.000 0.000) 0.699 7.671 ( -1.055 0.000 0.000) 1.055 7.757 ( 0.163 0.000 0.000) 0.163 7.804 ( 1.490 0.000 0.000) 1.490 7.865 ( -2.441 0.000 0.000) 2.441 7.953 ( -1.993 0.000 0.000) 1.993 8.039 ( -2.150 0.000 0.000) 2.150 8.093 ( 6.348 0.000 0.000) 6.348 8.276 ( -1.845 0.000 0.000) 1.845 8.372 ( 2.240 0.000 0.000) 2.240 8.503 ( 2.182 0.000 0.000) 2.182 8.503 ( 1.380 0.000 0.000) 1.380 8.584 ( -3.793 0.000 0.000) 3.793 8.650 ( 0.373 0.000 0.000) 0.373 8.769 ( -1.038 0.000 0.000) 1.038 8.828 ( -0.149 0.000 0.000) 0.149 8.957 ( -7.461 0.000 0.000) 7.461 9.025 ( 7.061 0.000 0.000) 7.061 9.087 ( -1.929 0.000 0.000) 1.929 9.090 ( -1.989 0.000 0.000) 1.989 9.103 ( -3.941 0.000 0.000) 3.941 9.145 ( -2.189 0.000 0.000) 2.189 9.232 ( 0.978 0.000 0.000) 0.978 9.252 ( -1.053 0.000 0.000) 1.053 9.263 ( 1.545 0.000 0.000) 1.545 9.307 ( 4.345 0.000 0.000) 4.345 9.409 ( 5.591 0.000 0.000) 5.591 9.556 ( -0.031 0.000 0.000) 0.031 9.627 ( -0.382 0.000 0.000) 0.382 9.663 ( 5.304 0.000 0.000) 5.304 9.778 ( 2.266 0.000 0.000) 2.266 9.788 ( -1.786 0.000 0.000) 1.786 9.834 ( 1.944 0.000 0.000) 1.944 9.860 ( 0.382 0.000 0.000) 0.382 9.890 ( -4.763 0.000 0.000) 4.763 10.007 ( -2.341 0.000 0.000) 2.341 10.053 ( 0.257 0.000 0.000) 0.257 10.061 ( 0.910 0.000 0.000) 0.910 10.168 ( 5.651 0.000 0.000) 5.651 10.205 ( 5.494 0.000 0.000) 5.494 10.218 ( -4.387 0.000 0.000) 4.387 10.253 ( -3.052 0.000 0.000) 3.052 10.289 ( -2.028 0.000 0.000) 2.028 10.355 ( 1.752 0.000 0.000) 1.752 10.602 ( -5.084 0.000 0.000) 5.084 10.710 ( -0.999 0.000 0.000) 0.999 10.722 ( 0.637 0.000 0.000) 0.637 10.724 ( -0.638 0.000 0.000) 0.638 10.835 ( -2.536 0.000 0.000) 2.536 10.870 ( 1.844 0.000 0.000) 1.844 10.917 ( -1.802 0.000 0.000) 1.802 11.083 ( 0.436 0.000 0.000) 0.436 11.102 ( 1.026 0.000 0.000) 1.026 11.158 ( -0.050 0.000 0.000) 0.050 11.242 ( -3.152 0.000 0.000) 3.152 11.335 ( -0.023 0.000 0.000) 0.023 11.459 ( 1.937 0.000 0.000) 1.937 11.463 ( -5.402 0.000 0.000) 5.402 11.661 ( -0.297 0.000 0.000) 0.297 11.716 ( 1.160 0.000 0.000) 1.160 11.739 ( -2.384 0.000 0.000) 2.384 11.768 ( 4.453 0.000 0.000) 4.453 11.817 ( -0.030 0.000 0.000) 0.030 11.938 ( -0.392 0.000 0.000) 0.392 12.055 ( 0.219 0.000 0.000) 0.219 12.078 ( 0.166 0.000 0.000) 0.166 12.271 ( 5.784 0.000 0.000) 5.784 12.325 ( -4.958 0.000 0.000) 4.958 12.419 ( -2.051 0.000 0.000) 2.051 12.538 ( 1.988 0.000 0.000) 1.988 12.693 ( -11.769 0.000 0.000) 11.769 12.808 ( -3.806 0.000 0.000) 3.806 12.966 ( 3.271 0.000 0.000) 3.271 13.329 ( -8.738 0.000 0.000) 8.738 13.414 ( -3.894 0.000 0.000) 3.894 13.468 ( -8.388 0.000 0.000) 8.388 13.511 ( 2.919 0.000 0.000) 2.919 13.522 ( -6.673 0.000 0.000) 6.673 13.875 ( -4.595 0.000 0.000) 4.595 14.201 ( 17.431 0.000 0.000) 17.431 14.336 ( 10.264 0.000 0.000) 10.264 14.760 ( -2.684 0.000 0.000) 2.684 15.498 ( 12.715 0.000 0.000) 12.715 15.797 ( -0.085 0.000 0.000) 0.085 16.057 ( -0.216 0.000 0.000) 0.216 16.128 ( 2.092 0.000 0.000) 2.092 16.198 ( 0.497 0.000 0.000) 0.497 16.394 ( -0.274 0.000 0.000) 0.274 16.440 ( -0.976 0.000 0.000) 0.976 16.615 ( -1.171 0.000 0.000) 1.171 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 22.905 0.000 0.000) 22.905 1.020 ( 26.563 0.000 0.000) 26.563 1.525 ( -4.346 0.000 0.000) 4.346 1.657 ( 10.288 0.000 0.000) 10.288 1.743 ( -1.652 0.000 0.000) 1.652 1.934 ( 30.568 0.000 0.000) 30.568 2.002 ( -0.396 0.000 0.000) 0.396 2.088 ( 4.672 0.000 0.000) 4.672 2.230 ( 10.695 0.000 0.000) 10.695 2.261 ( 3.779 0.000 0.000) 3.779 2.294 ( -1.003 0.000 0.000) 1.003 2.398 ( -4.408 0.000 0.000) 4.408 2.441 ( -1.246 0.000 0.000) 1.246 2.464 ( 9.472 0.000 0.000) 9.472 2.577 ( 0.977 0.000 0.000) 0.977 2.671 ( 2.610 0.000 0.000) 2.610 2.714 ( 9.636 0.000 0.000) 9.636 2.824 ( 0.540 0.000 0.000) 0.540 2.883 ( 2.598 0.000 0.000) 2.598 2.954 ( 1.010 0.000 0.000) 1.010 3.020 ( -2.046 0.000 0.000) 2.046 3.101 ( 2.587 0.000 0.000) 2.587 3.142 ( 11.965 0.000 0.000) 11.965 3.171 ( -0.238 0.000 0.000) 0.238 3.257 ( 3.480 0.000 0.000) 3.480 3.266 ( 2.080 0.000 0.000) 2.080 3.330 ( 0.486 0.000 0.000) 0.486 3.365 ( -4.064 0.000 0.000) 4.064 3.427 ( 0.645 0.000 0.000) 0.645 3.485 ( -3.302 0.000 0.000) 3.302 3.530 ( 11.116 0.000 0.000) 11.116 3.576 ( -0.355 0.000 0.000) 0.355 3.631 ( 2.817 0.000 0.000) 2.817 3.663 ( 3.776 0.000 0.000) 3.776 3.824 ( 3.400 0.000 0.000) 3.400 3.843 ( -1.538 0.000 0.000) 1.538 3.873 ( 5.977 0.000 0.000) 5.977 3.973 ( 2.756 0.000 0.000) 2.756 4.014 ( 3.220 0.000 0.000) 3.220 4.033 ( 0.838 0.000 0.000) 0.838 4.088 ( 1.447 0.000 0.000) 1.447 4.132 ( -1.867 0.000 0.000) 1.867 4.140 ( 3.922 0.000 0.000) 3.922 4.222 ( 6.780 0.000 0.000) 6.780 4.269 ( 0.123 0.000 0.000) 0.123 4.348 ( -1.642 0.000 0.000) 1.642 4.411 ( 2.038 0.000 0.000) 2.038 4.540 ( -4.197 0.000 0.000) 4.197 4.549 ( 2.073 0.000 0.000) 2.073 4.654 ( -2.918 0.000 0.000) 2.918 4.669 ( 4.184 0.000 0.000) 4.184 4.691 ( 6.539 0.000 0.000) 6.539 4.807 ( -3.045 0.000 0.000) 3.045 4.857 ( -1.314 0.000 0.000) 1.314 4.912 ( -2.741 0.000 0.000) 2.741 4.919 ( -3.357 0.000 0.000) 3.357 4.932 ( -0.443 0.000 0.000) 0.443 5.064 ( -1.005 0.000 0.000) 1.005 5.109 ( -0.901 0.000 0.000) 0.901 5.228 ( -5.780 0.000 0.000) 5.780 5.330 ( -0.736 0.000 0.000) 0.736 5.428 ( -5.012 0.000 0.000) 5.012 5.514 ( -3.281 0.000 0.000) 3.281 5.519 ( -9.311 0.000 0.000) 9.311 5.596 ( 2.562 0.000 0.000) 2.562 5.617 ( -1.395 0.000 0.000) 1.395 5.660 ( 7.376 0.000 0.000) 7.376 5.687 ( -3.574 0.000 0.000) 3.574 5.773 ( -6.129 0.000 0.000) 6.129 5.786 ( -5.687 0.000 0.000) 5.687 6.019 ( 4.019 0.000 0.000) 4.019 6.065 ( 0.069 0.000 0.000) 0.069 6.082 ( -9.693 0.000 0.000) 9.693 6.140 ( 0.686 0.000 0.000) 0.686 6.190 ( 2.049 0.000 0.000) 2.049 6.249 ( 7.242 0.000 0.000) 7.242 6.301 ( 1.114 0.000 0.000) 1.114 6.323 ( -0.792 0.000 0.000) 0.792 6.455 ( -0.828 0.000 0.000) 0.828 6.551 ( -1.514 0.000 0.000) 1.514 6.597 ( -3.957 0.000 0.000) 3.957 6.684 ( -4.783 0.000 0.000) 4.783 6.740 ( -7.757 0.000 0.000) 7.757 6.791 ( 4.852 0.000 0.000) 4.852 6.796 ( -4.687 0.000 0.000) 4.687 6.872 ( 3.330 0.000 0.000) 3.330 7.004 ( 0.448 0.000 0.000) 0.448 7.133 ( 0.281 0.000 0.000) 0.281 7.217 ( 5.038 0.000 0.000) 5.038 7.442 ( -5.014 0.000 0.000) 5.014 7.637 ( -2.037 0.000 0.000) 2.037 7.654 ( -0.973 0.000 0.000) 0.973 7.777 ( 1.609 0.000 0.000) 1.609 7.820 ( -0.047 0.000 0.000) 0.047 7.844 ( -0.081 0.000 0.000) 0.081 7.910 ( -2.508 0.000 0.000) 2.508 7.999 ( -1.581 0.000 0.000) 1.581 8.118 ( -2.879 0.000 0.000) 2.879 8.321 ( 5.148 0.000 0.000) 5.148 8.402 ( 0.438 0.000 0.000) 0.438 8.485 ( -1.582 0.000 0.000) 1.582 8.528 ( 0.495 0.000 0.000) 0.495 8.549 ( -0.745 0.000 0.000) 0.745 8.680 ( 1.923 0.000 0.000) 1.923 8.757 ( 0.698 0.000 0.000) 0.698 8.799 ( -5.397 0.000 0.000) 5.397 8.836 ( -1.376 0.000 0.000) 1.376 8.999 ( -5.289 0.000 0.000) 5.289 9.049 ( -1.306 0.000 0.000) 1.306 9.055 ( -1.374 0.000 0.000) 1.374 9.114 ( -0.763 0.000 0.000) 0.763 9.169 ( 3.885 0.000 0.000) 3.885 9.238 ( -0.518 0.000 0.000) 0.518 9.253 ( -1.946 0.000 0.000) 1.946 9.291 ( 5.562 0.000 0.000) 5.562 9.406 ( 4.920 0.000 0.000) 4.920 9.520 ( 6.643 0.000 0.000) 6.643 9.572 ( 1.567 0.000 0.000) 1.567 9.636 ( 1.529 0.000 0.000) 1.529 9.752 ( 1.721 0.000 0.000) 1.721 9.766 ( 0.956 0.000 0.000) 0.956 9.767 ( -4.538 0.000 0.000) 4.538 9.827 ( 0.597 0.000 0.000) 0.597 9.880 ( 1.621 0.000 0.000) 1.621 9.905 ( 2.919 0.000 0.000) 2.919 9.974 ( 0.492 0.000 0.000) 0.492 10.059 ( -1.279 0.000 0.000) 1.279 10.066 ( 1.471 0.000 0.000) 1.471 10.108 ( -5.745 0.000 0.000) 5.745 10.190 ( -3.461 0.000 0.000) 3.461 10.208 ( -3.501 0.000 0.000) 3.501 10.280 ( 1.053 0.000 0.000) 1.053 10.314 ( 5.582 0.000 0.000) 5.582 10.377 ( 0.931 0.000 0.000) 0.931 10.519 ( -2.919 0.000 0.000) 2.919 10.666 ( -3.052 0.000 0.000) 3.052 10.710 ( -4.307 0.000 0.000) 4.307 10.719 ( -1.781 0.000 0.000) 1.781 10.787 ( -0.971 0.000 0.000) 0.971 10.830 ( -3.064 0.000 0.000) 3.064 10.934 ( 3.516 0.000 0.000) 3.516 11.076 ( -0.706 0.000 0.000) 0.706 11.121 ( 0.351 0.000 0.000) 0.351 11.148 ( -2.243 0.000 0.000) 2.243 11.231 ( 2.143 0.000 0.000) 2.143 11.287 ( -3.517 0.000 0.000) 3.517 11.414 ( -0.275 0.000 0.000) 0.275 11.453 ( -2.195 0.000 0.000) 2.195 11.670 ( 2.265 0.000 0.000) 2.265 11.714 ( -0.354 0.000 0.000) 0.354 11.733 ( 0.307 0.000 0.000) 0.307 11.836 ( 1.620 0.000 0.000) 1.620 11.882 ( 7.245 0.000 0.000) 7.245 11.926 ( -0.219 0.000 0.000) 0.219 12.075 ( -0.608 0.000 0.000) 0.608 12.080 ( 2.239 0.000 0.000) 2.239 12.264 ( -2.235 0.000 0.000) 2.235 12.344 ( -3.205 0.000 0.000) 3.205 12.407 ( 4.863 0.000 0.000) 4.863 12.480 ( -8.511 0.000 0.000) 8.511 12.531 ( -3.697 0.000 0.000) 3.697 12.717 ( -4.448 0.000 0.000) 4.448 12.914 ( -4.406 0.000 0.000) 4.406 13.167 ( -7.865 0.000 0.000) 7.865 13.231 ( -11.256 0.000 0.000) 11.256 13.287 ( -11.074 0.000 0.000) 11.074 13.495 ( 0.881 0.000 0.000) 0.881 13.726 ( -7.449 0.000 0.000) 7.449 13.762 ( 18.459 0.000 0.000) 18.459 14.497 ( 12.675 0.000 0.000) 12.675 14.552 ( 10.493 0.000 0.000) 10.493 14.668 ( -7.201 0.000 0.000) 7.201 15.735 ( 9.844 0.000 0.000) 9.844 15.801 ( 0.589 0.000 0.000) 0.589 16.091 ( 4.916 0.000 0.000) 4.916 16.169 ( 2.073 0.000 0.000) 2.073 16.209 ( 0.533 0.000 0.000) 0.533 16.391 ( 0.065 0.000 0.000) 0.065 16.415 ( -1.619 0.000 0.000) 1.619 16.571 ( -3.746 0.000 0.000) 3.746 ======================= Grid point 3 (4/36) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 14.293 0.000 0.000) 14.293 1.449 ( -4.480 0.000 0.000) 4.480 1.502 ( 23.878 0.000 0.000) 23.878 1.755 ( 4.830 0.000 0.000) 4.830 1.803 ( -2.074 0.000 0.000) 2.074 1.929 ( 1.583 0.000 0.000) 1.583 1.979 ( -15.711 0.000 0.000) 15.711 2.060 ( -6.111 0.000 0.000) 6.111 2.278 ( -1.024 0.000 0.000) 1.024 2.285 ( -2.221 0.000 0.000) 2.221 2.366 ( 6.552 0.000 0.000) 6.552 2.446 ( -0.803 0.000 0.000) 0.803 2.492 ( 5.064 0.000 0.000) 5.064 2.547 ( -0.243 0.000 0.000) 0.243 2.736 ( 10.644 0.000 0.000) 10.644 2.745 ( 7.029 0.000 0.000) 7.029 2.779 ( -1.928 0.000 0.000) 1.928 2.851 ( 3.122 0.000 0.000) 3.122 2.929 ( -0.897 0.000 0.000) 0.897 2.948 ( -4.382 0.000 0.000) 4.382 3.037 ( 5.348 0.000 0.000) 5.348 3.140 ( -1.791 0.000 0.000) 1.791 3.210 ( 2.913 0.000 0.000) 2.913 3.262 ( -1.292 0.000 0.000) 1.292 3.297 ( 5.968 0.000 0.000) 5.968 3.341 ( 2.537 0.000 0.000) 2.537 3.345 ( 3.378 0.000 0.000) 3.378 3.386 ( 0.339 0.000 0.000) 0.339 3.426 ( 6.740 0.000 0.000) 6.740 3.483 ( 2.585 0.000 0.000) 2.585 3.580 ( -1.787 0.000 0.000) 1.787 3.609 ( -1.730 0.000 0.000) 1.730 3.701 ( 2.009 0.000 0.000) 2.009 3.739 ( 1.590 0.000 0.000) 1.590 3.838 ( 1.000 0.000 0.000) 1.000 3.878 ( -0.315 0.000 0.000) 0.315 3.947 ( 4.713 0.000 0.000) 4.713 4.011 ( 0.840 0.000 0.000) 0.840 4.026 ( 0.115 0.000 0.000) 0.115 4.051 ( -2.835 0.000 0.000) 2.835 4.090 ( 5.868 0.000 0.000) 5.868 4.158 ( 2.282 0.000 0.000) 2.282 4.214 ( -2.015 0.000 0.000) 2.015 4.234 ( -3.744 0.000 0.000) 3.744 4.365 ( 5.100 0.000 0.000) 5.100 4.405 ( 10.247 0.000 0.000) 10.247 4.429 ( -2.687 0.000 0.000) 2.687 4.484 ( 5.400 0.000 0.000) 5.400 4.581 ( -3.672 0.000 0.000) 3.672 4.600 ( 3.930 0.000 0.000) 3.930 4.636 ( -9.864 0.000 0.000) 9.864 4.715 ( -5.765 0.000 0.000) 5.765 4.794 ( 1.236 0.000 0.000) 1.236 4.831 ( -3.121 0.000 0.000) 3.121 4.892 ( 0.587 0.000 0.000) 0.587 4.920 ( 3.178 0.000 0.000) 3.178 4.971 ( 3.566 0.000 0.000) 3.566 5.025 ( -5.737 0.000 0.000) 5.737 5.108 ( 2.101 0.000 0.000) 2.101 5.110 ( 2.571 0.000 0.000) 2.571 5.247 ( -7.446 0.000 0.000) 7.446 5.290 ( -9.891 0.000 0.000) 9.891 5.461 ( 2.900 0.000 0.000) 2.900 5.485 ( 1.623 0.000 0.000) 1.623 5.569 ( -5.141 0.000 0.000) 5.141 5.605 ( -1.511 0.000 0.000) 1.511 5.607 ( -0.667 0.000 0.000) 0.667 5.614 ( -7.605 0.000 0.000) 7.605 5.755 ( 3.193 0.000 0.000) 3.193 5.830 ( 2.245 0.000 0.000) 2.245 5.909 ( -2.217 0.000 0.000) 2.217 6.001 ( -4.380 0.000 0.000) 4.380 6.157 ( 6.264 0.000 0.000) 6.264 6.208 ( 3.625 0.000 0.000) 3.625 6.228 ( 1.890 0.000 0.000) 1.890 6.272 ( -4.322 0.000 0.000) 4.322 6.336 ( 2.768 0.000 0.000) 2.768 6.370 ( 4.502 0.000 0.000) 4.502 6.453 ( -2.141 0.000 0.000) 2.141 6.503 ( -4.186 0.000 0.000) 4.186 6.520 ( 0.013 0.000 0.000) 0.013 6.582 ( -5.107 0.000 0.000) 5.107 6.652 ( -0.834 0.000 0.000) 0.834 6.698 ( -4.902 0.000 0.000) 4.902 6.879 ( 3.684 0.000 0.000) 3.684 6.913 ( 0.331 0.000 0.000) 0.331 7.041 ( 3.458 0.000 0.000) 3.458 7.109 ( -2.922 0.000 0.000) 2.922 7.312 ( 4.729 0.000 0.000) 4.729 7.379 ( -2.482 0.000 0.000) 2.482 7.603 ( -0.694 0.000 0.000) 0.694 7.624 ( -2.142 0.000 0.000) 2.142 7.802 ( 0.849 0.000 0.000) 0.849 7.813 ( -0.460 0.000 0.000) 0.460 7.849 ( 0.563 0.000 0.000) 0.563 7.868 ( -1.625 0.000 0.000) 1.625 7.998 ( 1.607 0.000 0.000) 1.607 8.051 ( -3.619 0.000 0.000) 3.619 8.373 ( 0.580 0.000 0.000) 0.580 8.388 ( -1.303 0.000 0.000) 1.303 8.505 ( 3.010 0.000 0.000) 3.010 8.538 ( 0.217 0.000 0.000) 0.217 8.554 ( 1.562 0.000 0.000) 1.562 8.619 ( -5.671 0.000 0.000) 5.671 8.783 ( 1.650 0.000 0.000) 1.650 8.805 ( 2.680 0.000 0.000) 2.680 8.820 ( 0.348 0.000 0.000) 0.348 8.901 ( -4.986 0.000 0.000) 4.986 9.038 ( -0.109 0.000 0.000) 0.109 9.040 ( -0.351 0.000 0.000) 0.351 9.123 ( 1.808 0.000 0.000) 1.808 9.176 ( -3.123 0.000 0.000) 3.123 9.222 ( 0.530 0.000 0.000) 0.530 9.232 ( -0.240 0.000 0.000) 0.240 9.403 ( 4.658 0.000 0.000) 4.658 9.450 ( -0.294 0.000 0.000) 0.294 9.607 ( 2.278 0.000 0.000) 2.278 9.638 ( 2.523 0.000 0.000) 2.523 9.676 ( 0.887 0.000 0.000) 0.887 9.727 ( -2.944 0.000 0.000) 2.944 9.731 ( 4.259 0.000 0.000) 4.259 9.782 ( -0.253 0.000 0.000) 0.253 9.826 ( 0.814 0.000 0.000) 0.814 9.884 ( -1.774 0.000 0.000) 1.774 9.971 ( 2.280 0.000 0.000) 2.280 9.998 ( -3.219 0.000 0.000) 3.219 10.038 ( 0.830 0.000 0.000) 0.830 10.043 ( 3.191 0.000 0.000) 3.191 10.117 ( 0.222 0.000 0.000) 0.222 10.127 ( -3.197 0.000 0.000) 3.197 10.137 ( 0.218 0.000 0.000) 0.218 10.231 ( -5.122 0.000 0.000) 5.122 10.392 ( 1.599 0.000 0.000) 1.599 10.392 ( 0.430 0.000 0.000) 0.430 10.510 ( 1.625 0.000 0.000) 1.625 10.568 ( -5.513 0.000 0.000) 5.513 10.628 ( -1.252 0.000 0.000) 1.252 10.656 ( -3.562 0.000 0.000) 3.562 10.809 ( 1.907 0.000 0.000) 1.907 10.826 ( 0.349 0.000 0.000) 0.349 11.006 ( 3.952 0.000 0.000) 3.952 11.070 ( -0.283 0.000 0.000) 0.283 11.086 ( -3.252 0.000 0.000) 3.252 11.099 ( -1.997 0.000 0.000) 1.997 11.267 ( 0.871 0.000 0.000) 0.871 11.274 ( 1.193 0.000 0.000) 1.193 11.404 ( -0.794 0.000 0.000) 0.794 11.407 ( -1.721 0.000 0.000) 1.721 11.718 ( 0.574 0.000 0.000) 0.574 11.729 ( -0.531 0.000 0.000) 0.531 11.746 ( 4.988 0.000 0.000) 4.988 11.827 ( -3.004 0.000 0.000) 3.004 11.961 ( 3.599 0.000 0.000) 3.599 12.007 ( 2.099 0.000 0.000) 2.099 12.070 ( 3.455 0.000 0.000) 3.455 12.127 ( 2.002 0.000 0.000) 2.002 12.219 ( -2.579 0.000 0.000) 2.579 12.241 ( -6.320 0.000 0.000) 6.320 12.373 ( -1.001 0.000 0.000) 1.001 12.422 ( -5.529 0.000 0.000) 5.529 12.539 ( 6.508 0.000 0.000) 6.508 12.647 ( -4.559 0.000 0.000) 4.559 12.910 ( 4.505 0.000 0.000) 4.505 13.046 ( -8.525 0.000 0.000) 8.525 13.054 ( -2.944 0.000 0.000) 2.944 13.093 ( -7.642 0.000 0.000) 7.642 13.526 ( 2.539 0.000 0.000) 2.539 13.597 ( -5.281 0.000 0.000) 5.281 14.137 ( 19.222 0.000 0.000) 19.222 14.453 ( -13.872 0.000 0.000) 13.872 14.681 ( 4.678 0.000 0.000) 4.678 14.690 ( 3.683 0.000 0.000) 3.683 15.818 ( 1.081 0.000 0.000) 1.081 15.826 ( 0.959 0.000 0.000) 0.959 16.200 ( 1.304 0.000 0.000) 1.304 16.213 ( -0.140 0.000 0.000) 0.140 16.246 ( 9.562 0.000 0.000) 9.562 16.374 ( -3.400 0.000 0.000) 3.400 16.404 ( 1.584 0.000 0.000) 1.584 16.475 ( -5.849 0.000 0.000) 5.849 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.000 26.199 0.000) 26.199 0.681 ( 0.000 33.698 0.000) 33.698 0.841 ( 0.000 40.863 0.000) 40.863 1.587 ( 0.000 9.346 0.000) 9.346 1.662 ( 0.000 -6.224 0.000) 6.224 1.731 ( 0.000 7.904 0.000) 7.904 1.822 ( 0.000 0.631 0.000) 0.631 1.901 ( 0.000 1.124 0.000) 1.124 1.997 ( 0.000 1.008 0.000) 1.008 2.070 ( 0.000 -3.581 0.000) 3.581 2.116 ( 0.000 -1.929 0.000) 1.929 2.245 ( 0.000 -6.509 0.000) 6.509 2.290 ( 0.000 -8.347 0.000) 8.347 2.432 ( 0.000 -10.863 0.000) 10.863 2.436 ( 0.000 -0.551 0.000) 0.551 2.546 ( 0.000 -3.306 0.000) 3.306 2.742 ( 0.000 4.493 0.000) 4.493 2.806 ( 0.000 4.059 0.000) 4.059 2.829 ( 0.000 -1.372 0.000) 1.372 2.851 ( 0.000 0.501 0.000) 0.501 2.882 ( 0.000 -5.990 0.000) 5.990 3.025 ( 0.000 -4.597 0.000) 4.597 3.048 ( 0.000 -3.406 0.000) 3.406 3.131 ( 0.000 1.643 0.000) 1.643 3.191 ( 0.000 -2.078 0.000) 2.078 3.224 ( 0.000 -4.748 0.000) 4.748 3.254 ( 0.000 -1.401 0.000) 1.401 3.264 ( 0.000 -5.628 0.000) 5.628 3.337 ( 0.000 -4.670 0.000) 4.670 3.427 ( 0.000 5.823 0.000) 5.823 3.461 ( 0.000 -2.086 0.000) 2.086 3.545 ( 0.000 -8.562 0.000) 8.562 3.564 ( 0.000 -4.132 0.000) 4.132 3.594 ( 0.000 -1.343 0.000) 1.343 3.810 ( 0.000 3.157 0.000) 3.157 3.853 ( 0.000 5.645 0.000) 5.645 3.887 ( 0.000 3.894 0.000) 3.894 3.957 ( 0.000 -0.413 0.000) 0.413 3.972 ( 0.000 -8.208 0.000) 8.208 3.977 ( 0.000 0.821 0.000) 0.821 3.996 ( 0.000 -3.997 0.000) 3.997 4.111 ( 0.000 7.389 0.000) 7.389 4.175 ( 0.000 0.195 0.000) 0.195 4.228 ( 0.000 -0.532 0.000) 0.532 4.335 ( 0.000 1.006 0.000) 1.006 4.385 ( 0.000 2.210 0.000) 2.210 4.386 ( 0.000 5.407 0.000) 5.407 4.415 ( 0.000 -4.044 0.000) 4.044 4.437 ( 0.000 5.164 0.000) 5.164 4.509 ( 0.000 -1.154 0.000) 1.154 4.574 ( 0.000 3.938 0.000) 3.938 4.704 ( 0.000 -3.687 0.000) 3.687 4.708 ( 0.000 3.638 0.000) 3.638 4.932 ( 0.000 -3.621 0.000) 3.621 4.953 ( 0.000 -0.328 0.000) 0.328 4.972 ( 0.000 -4.708 0.000) 4.708 5.046 ( 0.000 -3.542 0.000) 3.542 5.050 ( 0.000 3.317 0.000) 3.317 5.139 ( 0.000 6.328 0.000) 6.328 5.337 ( 0.000 -4.327 0.000) 4.327 5.352 ( 0.000 7.296 0.000) 7.296 5.487 ( 0.000 1.990 0.000) 1.990 5.501 ( 0.000 1.043 0.000) 1.043 5.609 ( 0.000 -1.686 0.000) 1.686 5.682 ( 0.000 -1.077 0.000) 1.077 5.709 ( 0.000 0.734 0.000) 0.734 5.784 ( 0.000 -3.866 0.000) 3.866 5.784 ( 0.000 1.114 0.000) 1.114 5.791 ( 0.000 1.199 0.000) 1.199 5.941 ( 0.000 1.256 0.000) 1.256 6.073 ( 0.000 0.469 0.000) 0.469 6.076 ( 0.000 0.908 0.000) 0.908 6.107 ( 0.000 -1.287 0.000) 1.287 6.186 ( 0.000 -1.160 0.000) 1.160 6.212 ( 0.000 4.066 0.000) 4.066 6.279 ( 0.000 3.811 0.000) 3.811 6.390 ( 0.000 2.980 0.000) 2.980 6.468 ( 0.000 -0.595 0.000) 0.595 6.568 ( 0.000 -3.462 0.000) 3.462 6.591 ( 0.000 -4.643 0.000) 4.643 6.644 ( 0.000 -1.768 0.000) 1.768 6.656 ( 0.000 -3.759 0.000) 3.759 6.835 ( 0.000 -2.946 0.000) 2.946 6.839 ( 0.000 -1.883 0.000) 1.883 6.879 ( 0.000 3.645 0.000) 3.645 6.888 ( 0.000 -1.649 0.000) 1.649 6.960 ( 0.000 1.943 0.000) 1.943 7.150 ( 0.000 0.247 0.000) 0.247 7.264 ( 0.000 0.006 0.000) 0.006 7.451 ( 0.000 2.353 0.000) 2.353 7.613 ( 0.000 1.882 0.000) 1.882 7.755 ( 0.000 -3.471 0.000) 3.471 7.761 ( 0.000 1.294 0.000) 1.294 7.856 ( 0.000 3.233 0.000) 3.233 7.883 ( 0.000 -1.456 0.000) 1.456 7.931 ( 0.000 1.338 0.000) 1.338 7.968 ( 0.000 -0.092 0.000) 0.092 8.071 ( 0.000 0.460 0.000) 0.460 8.323 ( 0.000 0.766 0.000) 0.766 8.355 ( 0.000 0.564 0.000) 0.564 8.454 ( 0.000 -0.641 0.000) 0.641 8.469 ( 0.000 -1.324 0.000) 1.324 8.552 ( 0.000 -4.895 0.000) 4.895 8.706 ( 0.000 -4.464 0.000) 4.464 8.711 ( 0.000 4.804 0.000) 4.804 8.909 ( 0.000 4.520 0.000) 4.520 8.913 ( 0.000 1.193 0.000) 1.193 8.974 ( 0.000 1.682 0.000) 1.682 9.067 ( 0.000 -1.898 0.000) 1.898 9.088 ( 0.000 -2.187 0.000) 2.187 9.129 ( 0.000 -0.170 0.000) 0.170 9.173 ( 0.000 -0.360 0.000) 0.360 9.208 ( 0.000 -0.496 0.000) 0.496 9.223 ( 0.000 -0.659 0.000) 0.659 9.274 ( 0.000 1.898 0.000) 1.898 9.283 ( 0.000 2.147 0.000) 2.147 9.353 ( 0.000 4.588 0.000) 4.588 9.362 ( 0.000 3.474 0.000) 3.474 9.583 ( 0.000 0.573 0.000) 0.573 9.632 ( 0.000 -4.406 0.000) 4.406 9.637 ( 0.000 -3.771 0.000) 3.771 9.762 ( 0.000 -2.706 0.000) 2.706 9.794 ( 0.000 -3.361 0.000) 3.361 9.808 ( 0.000 -1.452 0.000) 1.452 9.955 ( 0.000 5.953 0.000) 5.953 9.978 ( 0.000 0.815 0.000) 0.815 10.015 ( 0.000 -0.809 0.000) 0.809 10.084 ( 0.000 -0.935 0.000) 0.935 10.147 ( 0.000 3.896 0.000) 3.896 10.256 ( 0.000 -1.249 0.000) 1.249 10.261 ( 0.000 -2.627 0.000) 2.627 10.285 ( 0.000 -1.526 0.000) 1.526 10.303 ( 0.000 0.269 0.000) 0.269 10.310 ( 0.000 -0.535 0.000) 0.535 10.512 ( 0.000 0.223 0.000) 0.223 10.641 ( 0.000 -3.107 0.000) 3.107 10.688 ( 0.000 -2.448 0.000) 2.448 10.796 ( 0.000 4.530 0.000) 4.530 10.822 ( 0.000 -3.617 0.000) 3.617 10.901 ( 0.000 -0.228 0.000) 0.228 11.001 ( 0.000 1.079 0.000) 1.079 11.075 ( 0.000 -0.077 0.000) 0.077 11.103 ( 0.000 1.454 0.000) 1.454 11.197 ( 0.000 3.143 0.000) 3.143 11.264 ( 0.000 -2.171 0.000) 2.171 11.328 ( 0.000 -1.024 0.000) 1.024 11.419 ( 0.000 2.398 0.000) 2.398 11.592 ( 0.000 5.821 0.000) 5.821 11.685 ( 0.000 -2.617 0.000) 2.617 11.730 ( 0.000 0.244 0.000) 0.244 11.737 ( 0.000 3.909 0.000) 3.909 11.757 ( 0.000 -0.549 0.000) 0.549 11.890 ( 0.000 2.498 0.000) 2.498 11.945 ( 0.000 0.802 0.000) 0.802 12.095 ( 0.000 3.030 0.000) 3.030 12.123 ( 0.000 -1.753 0.000) 1.753 12.384 ( 0.000 -3.989 0.000) 3.989 12.437 ( 0.000 0.677 0.000) 0.677 12.449 ( 0.000 -1.724 0.000) 1.724 12.763 ( 0.000 6.564 0.000) 6.564 12.785 ( 0.000 -6.825 0.000) 6.825 12.826 ( 0.000 0.308 0.000) 0.308 13.011 ( 0.000 -10.637 0.000) 10.637 13.308 ( 0.000 -3.067 0.000) 3.067 13.521 ( 0.000 4.237 0.000) 4.237 13.588 ( 0.000 0.476 0.000) 0.476 13.658 ( 0.000 -1.127 0.000) 1.127 13.726 ( 0.000 12.691 0.000) 12.691 13.814 ( 0.000 -2.691 0.000) 2.691 14.079 ( 0.000 9.397 0.000) 9.397 14.233 ( 0.000 -2.257 0.000) 2.257 14.731 ( 0.000 -5.489 0.000) 5.489 15.394 ( 0.000 3.484 0.000) 3.484 15.706 ( 0.000 -5.597 0.000) 5.597 15.882 ( 0.000 3.071 0.000) 3.071 16.041 ( 0.000 -2.386 0.000) 2.386 16.206 ( 0.000 0.862 0.000) 0.862 16.244 ( 0.000 -1.212 0.000) 1.212 16.387 ( 0.000 -0.774 0.000) 0.774 16.433 ( 0.000 -1.479 0.000) 1.479 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 16.090 16.632 0.000) 23.141 0.817 ( 14.010 27.132 0.000) 30.536 1.314 ( 36.539 20.021 0.000) 41.664 1.598 ( -0.166 4.074 0.000) 4.077 1.637 ( 0.116 3.508 0.000) 3.510 1.855 ( 3.961 6.259 0.000) 7.407 1.923 ( 14.366 4.741 0.000) 15.128 2.001 ( 7.020 0.829 0.000) 7.069 2.081 ( 4.991 -1.243 0.000) 5.143 2.125 ( 4.576 -3.456 0.000) 5.735 2.144 ( 4.848 -5.468 0.000) 7.308 2.213 ( 1.265 -6.553 0.000) 6.674 2.332 ( 3.955 -10.934 0.000) 11.627 2.458 ( 2.813 -2.853 0.000) 4.007 2.500 ( 4.214 -1.575 0.000) 4.498 2.536 ( -0.046 -5.540 0.000) 5.540 2.727 ( -1.102 3.566 0.000) 3.733 2.767 ( -1.600 0.840 0.000) 1.807 2.853 ( 3.989 0.385 0.000) 4.007 2.891 ( 1.180 -9.458 0.000) 9.532 2.937 ( 2.315 2.835 0.000) 3.660 3.021 ( 1.057 -5.058 0.000) 5.167 3.092 ( 3.259 -3.250 0.000) 4.603 3.137 ( -3.871 -2.514 0.000) 4.615 3.161 ( 1.578 0.266 0.000) 1.600 3.217 ( 4.826 -0.367 0.000) 4.840 3.280 ( 2.716 -5.042 0.000) 5.727 3.323 ( -0.670 -3.002 0.000) 3.076 3.407 ( 4.905 -1.371 0.000) 5.093 3.435 ( 0.443 5.147 0.000) 5.166 3.471 ( 4.708 -5.466 0.000) 7.214 3.506 ( 0.117 -4.579 0.000) 4.581 3.572 ( -0.031 -2.744 0.000) 2.744 3.627 ( -0.066 -1.055 0.000) 1.057 3.774 ( -0.585 -1.223 0.000) 1.355 3.833 ( -0.883 5.310 0.000) 5.383 3.873 ( -2.884 0.670 0.000) 2.961 3.949 ( 0.798 -2.829 0.000) 2.940 3.987 ( 2.670 -0.309 0.000) 2.688 3.998 ( 2.648 0.809 0.000) 2.769 4.054 ( 1.453 0.160 0.000) 1.462 4.135 ( 2.191 7.206 0.000) 7.531 4.186 ( -2.592 -1.701 0.000) 3.101 4.246 ( 4.381 -1.330 0.000) 4.579 4.256 ( -2.749 3.443 0.000) 4.405 4.372 ( -0.704 0.642 0.000) 0.953 4.398 ( -0.859 1.242 0.000) 1.510 4.445 ( 0.913 -3.255 0.000) 3.381 4.477 ( 1.360 -1.178 0.000) 1.799 4.534 ( 6.028 -3.018 0.000) 6.742 4.658 ( 5.191 2.750 0.000) 5.874 4.672 ( -0.590 0.588 0.000) 0.832 4.768 ( 2.293 0.158 0.000) 2.299 4.885 ( -4.215 -3.857 0.000) 5.713 4.933 ( -1.019 0.075 0.000) 1.021 4.975 ( -1.467 -2.070 0.000) 2.537 5.003 ( -0.814 0.697 0.000) 1.072 5.104 ( 0.875 -0.086 0.000) 0.880 5.128 ( -0.826 4.822 0.000) 4.892 5.296 ( -0.674 0.266 0.000) 0.725 5.375 ( -1.524 1.162 0.000) 1.916 5.459 ( -3.345 0.225 0.000) 3.352 5.515 ( 1.747 1.995 0.000) 2.652 5.582 ( -2.649 -1.576 0.000) 3.082 5.638 ( -3.186 -0.895 0.000) 3.309 5.678 ( -0.783 4.935 0.000) 4.996 5.743 ( -1.189 0.632 0.000) 1.346 5.811 ( 0.251 1.544 0.000) 1.564 5.824 ( -0.774 -2.257 0.000) 2.386 5.955 ( -1.034 5.687 0.000) 5.780 5.976 ( -6.285 4.548 0.000) 7.758 6.060 ( -1.084 -1.252 0.000) 1.656 6.098 ( 2.679 -0.076 0.000) 2.680 6.186 ( -1.868 3.396 0.000) 3.876 6.210 ( 0.854 0.656 0.000) 1.077 6.302 ( 0.122 1.190 0.000) 1.196 6.337 ( -2.994 2.573 0.000) 3.947 6.373 ( -9.051 6.240 0.000) 10.994 6.492 ( -3.494 -0.267 0.000) 3.504 6.556 ( -0.095 -3.038 0.000) 3.040 6.618 ( -1.153 -0.617 0.000) 1.308 6.669 ( 0.261 -3.963 0.000) 3.972 6.738 ( -2.986 -4.066 0.000) 5.045 6.826 ( -3.381 3.958 0.000) 5.205 6.848 ( -0.663 -1.382 0.000) 1.533 6.912 ( 1.055 0.611 0.000) 1.219 6.985 ( -0.465 -0.488 0.000) 0.674 7.148 ( 1.632 0.359 0.000) 1.671 7.204 ( -2.953 6.282 0.000) 6.942 7.518 ( -2.475 -3.194 0.000) 4.041 7.657 ( 3.286 -0.730 0.000) 3.366 7.705 ( -4.011 2.609 0.000) 4.785 7.772 ( 1.721 -2.138 0.000) 2.745 7.825 ( -0.540 5.076 0.000) 5.104 7.861 ( -1.706 0.492 0.000) 1.775 7.923 ( -0.628 -3.232 0.000) 3.292 7.959 ( 0.222 -1.663 0.000) 1.678 8.128 ( 1.758 -0.598 0.000) 1.857 8.273 ( -2.328 0.121 0.000) 2.331 8.360 ( 1.594 -1.342 0.000) 2.084 8.484 ( 1.172 -1.434 0.000) 1.852 8.504 ( -0.994 -1.130 0.000) 1.505 8.557 ( 4.381 -0.103 0.000) 4.382 8.696 ( -1.118 3.555 0.000) 3.727 8.745 ( 1.322 -1.257 0.000) 1.824 8.878 ( -1.421 3.293 0.000) 3.587 8.919 ( -4.883 -1.737 0.000) 5.183 9.010 ( 4.231 -1.421 0.000) 4.463 9.065 ( -2.350 -2.384 0.000) 3.347 9.085 ( -2.232 -1.671 0.000) 2.788 9.115 ( -0.928 -0.572 0.000) 1.090 9.143 ( -0.303 0.704 0.000) 0.767 9.214 ( 0.336 -2.088 0.000) 2.115 9.229 ( 0.316 0.214 0.000) 0.381 9.295 ( 0.832 0.875 0.000) 1.207 9.334 ( 2.418 3.744 0.000) 4.457 9.412 ( 5.484 0.012 0.000) 5.484 9.441 ( 7.789 -3.680 0.000) 8.615 9.581 ( 0.505 0.905 0.000) 1.036 9.650 ( 2.104 -2.801 0.000) 3.503 9.684 ( 3.406 -6.553 0.000) 7.385 9.756 ( -1.404 -4.913 0.000) 5.110 9.788 ( 2.300 -1.885 0.000) 2.973 9.851 ( 0.688 0.902 0.000) 1.135 9.949 ( -1.116 2.847 0.000) 3.058 9.973 ( 1.333 2.746 0.000) 3.052 10.034 ( 0.764 0.505 0.000) 0.916 10.126 ( 3.004 -2.738 0.000) 4.064 10.148 ( 0.408 2.374 0.000) 2.409 10.212 ( -4.690 -0.433 0.000) 4.710 10.243 ( -2.327 -1.054 0.000) 2.554 10.258 ( -1.149 -1.061 0.000) 1.564 10.300 ( -0.049 1.020 0.000) 1.021 10.318 ( 1.593 -0.995 0.000) 1.878 10.543 ( 1.510 -3.437 0.000) 3.754 10.607 ( -2.723 -2.902 0.000) 3.979 10.707 ( 1.877 -1.441 0.000) 2.367 10.780 ( -1.694 2.596 0.000) 3.100 10.796 ( -2.004 -1.793 0.000) 2.689 10.890 ( -1.572 -0.505 0.000) 1.651 10.973 ( -1.243 3.331 0.000) 3.555 11.100 ( 0.948 -0.797 0.000) 1.238 11.117 ( 0.451 1.886 0.000) 1.939 11.179 ( -1.373 2.115 0.000) 2.522 11.233 ( -1.927 -0.028 0.000) 1.927 11.334 ( 1.078 -0.934 0.000) 1.426 11.451 ( 1.262 0.830 0.000) 1.510 11.525 ( -5.996 5.220 0.000) 7.949 11.690 ( 0.850 -1.338 0.000) 1.585 11.718 ( 0.156 2.287 0.000) 2.292 11.735 ( -1.417 -1.455 0.000) 2.031 11.776 ( 2.762 1.956 0.000) 3.385 11.864 ( -1.634 3.542 0.000) 3.901 11.955 ( 1.029 1.295 0.000) 1.654 12.089 ( -0.232 3.017 0.000) 3.026 12.176 ( 3.621 -2.548 0.000) 4.427 12.336 ( -4.683 2.459 0.000) 5.289 12.374 ( -1.132 -2.338 0.000) 2.597 12.468 ( -6.222 6.311 0.000) 8.862 12.565 ( -7.957 7.698 0.000) 11.071 12.663 ( -9.805 -1.225 0.000) 9.882 12.823 ( -6.205 -0.543 0.000) 6.228 12.905 ( 3.181 -5.459 0.000) 6.318 13.322 ( -0.538 -9.118 0.000) 9.134 13.432 ( -15.547 9.580 0.000) 18.262 13.482 ( -10.562 1.339 0.000) 10.647 13.547 ( 2.502 5.116 0.000) 5.695 13.628 ( -4.524 8.170 0.000) 9.339 13.865 ( -6.497 -0.330 0.000) 6.505 14.134 ( 15.950 -6.801 0.000) 17.339 14.383 ( 11.242 4.569 0.000) 12.135 14.732 ( -1.166 -3.218 0.000) 3.422 15.533 ( 12.889 3.679 0.000) 13.404 15.791 ( 1.262 -1.060 0.000) 1.648 16.015 ( 1.597 -4.004 0.000) 4.310 16.068 ( 5.534 -5.488 0.000) 7.794 16.212 ( 0.683 1.025 0.000) 1.232 16.352 ( 6.398 -9.158 0.000) 11.172 16.390 ( 1.044 -1.534 0.000) 1.856 16.440 ( 1.314 -2.293 0.000) 2.643 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 21.456 4.103 0.000) 21.845 1.129 ( 17.599 16.443 0.000) 24.086 1.528 ( -2.377 0.505 0.000) 2.430 1.667 ( 5.183 2.594 0.000) 5.796 1.890 ( 0.705 10.420 0.000) 10.444 1.973 ( 16.585 1.005 0.000) 16.615 2.027 ( -1.606 -1.796 0.000) 2.409 2.052 ( -0.030 1.310 0.000) 1.310 2.185 ( 2.444 -6.574 0.000) 7.013 2.258 ( 10.172 1.929 0.000) 10.353 2.314 ( 7.824 -2.150 0.000) 8.114 2.330 ( 8.920 0.407 0.000) 8.929 2.434 ( 4.233 -0.926 0.000) 4.333 2.494 ( 2.154 3.309 0.000) 3.948 2.590 ( 4.105 -2.490 0.000) 4.801 2.601 ( 11.919 -5.226 0.000) 13.014 2.684 ( -1.676 1.016 0.000) 1.960 2.765 ( 1.237 -5.082 0.000) 5.230 2.867 ( 0.224 -8.119 0.000) 8.122 2.933 ( 2.918 -0.977 0.000) 3.077 3.010 ( 6.058 -0.675 0.000) 6.096 3.014 ( -2.605 -5.577 0.000) 6.155 3.126 ( 1.676 0.175 0.000) 1.685 3.170 ( -3.372 -1.918 0.000) 3.879 3.181 ( 2.666 -1.410 0.000) 3.016 3.279 ( 5.071 -1.152 0.000) 5.200 3.334 ( 6.977 -1.127 0.000) 7.067 3.388 ( 3.638 2.004 0.000) 4.153 3.426 ( 2.160 0.943 0.000) 2.357 3.447 ( -0.363 -4.502 0.000) 4.516 3.504 ( 0.827 -1.585 0.000) 1.788 3.595 ( 0.552 0.326 0.000) 0.641 3.641 ( 7.572 -2.169 0.000) 7.876 3.643 ( 3.112 1.863 0.000) 3.627 3.778 ( -1.087 1.479 0.000) 1.835 3.801 ( 0.811 -5.699 0.000) 5.756 3.889 ( 4.116 2.203 0.000) 4.669 3.958 ( -0.209 -2.641 0.000) 2.649 4.009 ( 0.887 -1.817 0.000) 2.022 4.067 ( 2.138 -1.124 0.000) 2.416 4.107 ( 1.818 4.691 0.000) 5.031 4.160 ( 3.835 0.918 0.000) 3.944 4.197 ( 4.744 5.490 0.000) 7.256 4.240 ( 1.623 -0.974 0.000) 1.893 4.305 ( 1.659 0.721 0.000) 1.809 4.345 ( -3.272 -0.014 0.000) 3.272 4.386 ( 0.046 -2.214 0.000) 2.214 4.438 ( 2.148 0.916 0.000) 2.335 4.575 ( 1.448 0.101 0.000) 1.451 4.626 ( 2.788 -3.747 0.000) 4.671 4.643 ( 1.832 -3.715 0.000) 4.142 4.757 ( 2.579 0.927 0.000) 2.741 4.762 ( 0.196 1.003 0.000) 1.022 4.826 ( -0.755 -2.271 0.000) 2.393 4.921 ( -1.255 1.906 0.000) 2.282 4.940 ( -0.562 2.570 0.000) 2.630 4.984 ( -1.891 3.603 0.000) 4.069 5.086 ( -1.555 -0.845 0.000) 1.770 5.107 ( -1.498 2.914 0.000) 3.276 5.278 ( -7.782 1.072 0.000) 7.855 5.312 ( 0.355 0.276 0.000) 0.449 5.400 ( -3.904 -1.631 0.000) 4.231 5.461 ( -6.614 -1.729 0.000) 6.837 5.536 ( -2.415 0.702 0.000) 2.515 5.621 ( 0.100 -0.101 0.000) 0.142 5.662 ( -4.933 2.149 0.000) 5.381 5.717 ( -7.409 0.428 0.000) 7.421 5.748 ( 3.402 4.434 0.000) 5.589 5.760 ( -5.211 3.052 0.000) 6.039 5.869 ( -1.988 7.819 0.000) 8.068 5.999 ( -0.971 -1.528 0.000) 1.810 6.037 ( -0.195 -0.934 0.000) 0.954 6.123 ( -6.233 1.994 0.000) 6.545 6.145 ( 2.761 0.906 0.000) 2.906 6.240 ( 4.872 1.632 0.000) 5.138 6.264 ( 0.849 3.959 0.000) 4.049 6.307 ( -1.804 -1.542 0.000) 2.373 6.316 ( 0.414 0.568 0.000) 0.703 6.442 ( -1.084 -1.295 0.000) 1.689 6.537 ( -2.088 -0.977 0.000) 2.305 6.590 ( -2.235 -0.240 0.000) 2.248 6.624 ( -5.129 -5.853 0.000) 7.782 6.710 ( -2.606 0.484 0.000) 2.651 6.771 ( -1.568 0.245 0.000) 1.587 6.834 ( 0.776 0.092 0.000) 0.781 6.956 ( 1.124 4.007 0.000) 4.162 6.972 ( 2.333 -1.004 0.000) 2.540 7.146 ( -3.355 1.897 0.000) 3.854 7.211 ( 4.168 -0.336 0.000) 4.182 7.425 ( -5.264 -2.360 0.000) 5.769 7.645 ( -1.970 1.610 0.000) 2.544 7.680 ( -1.443 1.005 0.000) 1.759 7.800 ( 0.840 1.273 0.000) 1.525 7.830 ( 0.027 0.896 0.000) 0.896 7.841 ( -0.032 0.672 0.000) 0.673 7.899 ( -0.919 -0.525 0.000) 1.059 7.969 ( 0.291 -2.433 0.000) 2.450 8.108 ( -3.065 -1.502 0.000) 3.413 8.290 ( 3.115 -1.961 0.000) 3.681 8.383 ( 0.157 -2.480 0.000) 2.485 8.459 ( -1.465 -1.284 0.000) 1.948 8.515 ( 0.952 -0.818 0.000) 1.255 8.620 ( 0.475 4.481 0.000) 4.506 8.688 ( 0.286 0.552 0.000) 0.622 8.763 ( 0.828 1.409 0.000) 1.635 8.821 ( -3.037 2.273 0.000) 3.793 8.848 ( -1.850 1.561 0.000) 2.420 8.993 ( -4.434 -0.534 0.000) 4.466 9.019 ( -1.109 -2.081 0.000) 2.358 9.083 ( 0.508 -0.501 0.000) 0.714 9.099 ( -0.073 -0.300 0.000) 0.308 9.179 ( 2.397 1.107 0.000) 2.641 9.221 ( -0.610 -0.144 0.000) 0.627 9.235 ( -0.027 -3.049 0.000) 3.049 9.310 ( 2.902 0.592 0.000) 2.962 9.402 ( 4.045 1.061 0.000) 4.182 9.483 ( 3.282 -1.930 0.000) 3.807 9.565 ( 4.728 -3.665 0.000) 5.982 9.610 ( 2.673 1.633 0.000) 3.132 9.690 ( 0.061 -4.052 0.000) 4.052 9.716 ( -0.771 -5.202 0.000) 5.259 9.756 ( 3.189 -2.787 0.000) 4.235 9.836 ( 2.115 0.186 0.000) 2.123 9.876 ( 2.999 0.364 0.000) 3.021 9.930 ( -0.315 0.622 0.000) 0.697 9.977 ( -1.841 4.426 0.000) 4.794 10.044 ( 0.967 0.154 0.000) 0.979 10.109 ( -5.261 0.183 0.000) 5.264 10.133 ( -1.451 2.604 0.000) 2.981 10.151 ( -1.861 -2.612 0.000) 3.208 10.203 ( -3.244 -6.068 0.000) 6.880 10.216 ( -1.526 -1.200 0.000) 1.941 10.348 ( 3.746 1.107 0.000) 3.906 10.368 ( 3.747 1.257 0.000) 3.952 10.516 ( -2.645 -0.130 0.000) 2.648 10.592 ( 0.105 -5.455 0.000) 5.456 10.728 ( -2.392 1.476 0.000) 2.811 10.734 ( -3.141 0.566 0.000) 3.192 10.769 ( 0.159 -1.059 0.000) 1.071 10.832 ( -3.096 -0.280 0.000) 3.108 10.970 ( 0.632 2.690 0.000) 2.763 11.078 ( -2.993 -2.447 0.000) 3.866 11.100 ( -1.029 1.692 0.000) 1.980 11.172 ( -0.668 1.397 0.000) 1.549 11.235 ( 2.350 1.794 0.000) 2.957 11.337 ( -1.510 1.883 0.000) 2.413 11.421 ( -1.488 1.530 0.000) 2.134 11.469 ( -1.306 1.410 0.000) 1.922 11.704 ( -0.151 0.464 0.000) 0.488 11.720 ( 0.460 1.735 0.000) 1.795 11.732 ( 1.706 -0.607 0.000) 1.811 11.840 ( 3.880 0.147 0.000) 3.883 11.859 ( 0.706 2.437 0.000) 2.537 11.993 ( 3.447 2.985 0.000) 4.560 12.088 ( -0.455 0.857 0.000) 0.970 12.191 ( -1.222 2.479 0.000) 2.764 12.248 ( -3.550 1.794 0.000) 3.977 12.347 ( -4.583 1.953 0.000) 4.982 12.421 ( 4.610 1.503 0.000) 4.849 12.483 ( -6.381 2.411 0.000) 6.822 12.514 ( -4.458 -1.739 0.000) 4.785 12.731 ( -3.364 1.579 0.000) 3.716 12.899 ( -2.520 -3.153 0.000) 4.037 13.168 ( -8.434 0.507 0.000) 8.449 13.231 ( -10.031 -1.906 0.000) 10.211 13.283 ( -10.509 0.856 0.000) 10.543 13.495 ( -5.841 0.832 0.000) 5.900 13.709 ( -3.570 -3.263 0.000) 4.837 13.797 ( 13.759 5.623 0.000) 14.863 14.405 ( 9.405 -8.494 0.000) 12.673 14.586 ( 8.897 3.149 0.000) 9.438 14.694 ( -1.521 1.592 0.000) 2.202 15.767 ( 8.678 3.400 0.000) 9.320 15.809 ( 1.544 1.060 0.000) 1.873 16.039 ( 3.674 -4.591 0.000) 5.879 16.139 ( 2.375 -3.251 0.000) 4.026 16.231 ( 1.403 1.627 0.000) 2.149 16.379 ( 0.091 -1.284 0.000) 1.287 16.408 ( -0.206 -1.144 0.000) 1.162 16.480 ( 0.507 -6.285 0.000) 6.306 ======================= Grid point 10 (8/36) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 11.414 3.444 0.000) 11.922 1.423 ( 8.631 -0.617 0.000) 8.653 1.537 ( 8.493 5.439 0.000) 10.085 1.733 ( -1.350 -1.074 0.000) 1.725 1.885 ( -0.878 6.986 0.000) 7.041 1.979 ( -0.414 4.046 0.000) 4.067 2.002 ( -3.816 5.517 0.000) 6.709 2.070 ( -3.537 -1.459 0.000) 3.826 2.168 ( -1.577 -6.203 0.000) 6.400 2.208 ( -6.370 -6.526 0.000) 9.119 2.398 ( 6.094 -1.892 0.000) 6.381 2.471 ( 0.184 -0.921 0.000) 0.939 2.499 ( 3.282 1.197 0.000) 3.494 2.567 ( -1.378 0.755 0.000) 1.572 2.707 ( 7.396 -1.030 0.000) 7.467 2.742 ( 7.196 0.584 0.000) 7.220 2.751 ( 1.831 -3.236 0.000) 3.718 2.840 ( 2.974 -5.657 0.000) 6.391 2.872 ( -2.761 -5.811 0.000) 6.434 2.927 ( -4.998 3.113 0.000) 5.888 3.033 ( 3.767 -1.505 0.000) 4.056 3.070 ( -2.255 -0.476 0.000) 2.305 3.157 ( 8.684 -3.534 0.000) 9.375 3.207 ( 6.100 -1.402 0.000) 6.259 3.250 ( 4.282 -3.457 0.000) 5.503 3.330 ( -1.516 -3.515 0.000) 3.828 3.393 ( -0.434 -1.115 0.000) 1.196 3.419 ( 1.327 1.343 0.000) 1.888 3.491 ( 2.421 5.251 0.000) 5.782 3.510 ( 1.274 0.801 0.000) 1.505 3.558 ( 6.421 -0.059 0.000) 6.422 3.583 ( -0.895 -0.213 0.000) 0.919 3.680 ( 1.147 -0.668 0.000) 1.328 3.706 ( 0.360 -2.393 0.000) 2.420 3.757 ( 2.956 -4.657 0.000) 5.516 3.853 ( -4.648 -4.852 0.000) 6.720 3.921 ( 4.301 -1.397 0.000) 4.522 3.989 ( 1.167 -3.456 0.000) 3.647 4.049 ( 0.021 0.573 0.000) 0.574 4.095 ( 2.945 4.988 0.000) 5.793 4.117 ( 1.984 1.265 0.000) 2.353 4.189 ( -1.613 0.872 0.000) 1.834 4.225 ( -2.735 1.388 0.000) 3.067 4.261 ( -3.320 1.632 0.000) 3.699 4.353 ( 3.592 1.959 0.000) 4.092 4.398 ( 0.985 -4.486 0.000) 4.592 4.429 ( 10.793 2.543 0.000) 11.089 4.499 ( 3.423 2.752 0.000) 4.392 4.539 ( 0.212 -2.040 0.000) 2.051 4.622 ( 4.607 2.012 0.000) 5.027 4.678 ( -7.176 4.338 0.000) 8.386 4.790 ( 4.900 -3.269 0.000) 5.891 4.827 ( -0.475 0.852 0.000) 0.976 4.838 ( -6.923 3.155 0.000) 7.608 4.847 ( -1.300 4.243 0.000) 4.438 4.923 ( -2.953 1.187 0.000) 3.183 4.993 ( 8.007 -1.164 0.000) 8.092 5.059 ( -0.096 0.897 0.000) 0.902 5.095 ( -4.139 0.753 0.000) 4.207 5.130 ( 0.514 1.060 0.000) 1.178 5.239 ( -6.901 -0.388 0.000) 6.912 5.294 ( -8.812 0.902 0.000) 8.858 5.418 ( 4.408 -3.960 0.000) 5.926 5.505 ( -0.025 1.133 0.000) 1.134 5.536 ( -6.123 -1.871 0.000) 6.402 5.574 ( -6.236 -2.433 0.000) 6.694 5.623 ( -1.776 1.818 0.000) 2.542 5.640 ( -3.617 2.712 0.000) 4.521 5.834 ( 2.646 3.820 0.000) 4.647 5.884 ( -0.667 5.245 0.000) 5.287 5.935 ( 1.373 2.116 0.000) 2.522 6.010 ( -2.984 -0.015 0.000) 2.985 6.118 ( 3.505 0.512 0.000) 3.542 6.187 ( -1.807 -1.539 0.000) 2.374 6.252 ( 0.202 -0.903 0.000) 0.925 6.266 ( -0.071 0.251 0.000) 0.261 6.370 ( 5.401 2.857 0.000) 6.110 6.377 ( 5.446 0.796 0.000) 5.504 6.445 ( 0.346 -2.793 0.000) 2.815 6.474 ( -4.468 0.621 0.000) 4.511 6.527 ( -3.893 -3.358 0.000) 5.141 6.538 ( -3.176 -0.213 0.000) 3.183 6.660 ( -0.999 1.204 0.000) 1.565 6.697 ( -4.354 -0.081 0.000) 4.355 6.911 ( 5.028 2.134 0.000) 5.462 6.974 ( -0.223 3.960 0.000) 3.966 7.017 ( 2.090 -1.367 0.000) 2.497 7.077 ( -3.731 -2.326 0.000) 4.396 7.292 ( 4.260 -1.931 0.000) 4.677 7.357 ( -2.621 -2.494 0.000) 3.618 7.613 ( -0.909 1.296 0.000) 1.583 7.632 ( -2.659 1.035 0.000) 2.854 7.810 ( 0.603 0.581 0.000) 0.838 7.823 ( -0.552 0.761 0.000) 0.940 7.857 ( 1.069 0.622 0.000) 1.237 7.879 ( -1.230 0.824 0.000) 1.481 7.990 ( 2.226 -0.670 0.000) 2.325 8.045 ( -3.317 -0.714 0.000) 3.393 8.339 ( 1.625 -3.189 0.000) 3.580 8.365 ( -1.472 -2.693 0.000) 3.069 8.470 ( 2.667 -0.523 0.000) 2.718 8.523 ( -1.144 -0.876 0.000) 1.441 8.604 ( -0.265 2.049 0.000) 2.066 8.645 ( -3.381 1.727 0.000) 3.797 8.785 ( 1.231 1.066 0.000) 1.629 8.807 ( -1.419 1.207 0.000) 1.863 8.851 ( 3.490 2.443 0.000) 4.260 8.920 ( -3.474 1.325 0.000) 3.718 9.035 ( 2.345 0.493 0.000) 2.397 9.082 ( -1.929 1.753 0.000) 2.607 9.101 ( 1.730 -0.433 0.000) 1.783 9.153 ( -3.390 -2.037 0.000) 3.955 9.218 ( 0.919 -0.170 0.000) 0.934 9.238 ( -0.528 0.050 0.000) 0.530 9.399 ( 4.671 -1.044 0.000) 4.786 9.445 ( -0.021 -0.560 0.000) 0.561 9.552 ( 4.302 -3.765 0.000) 5.717 9.622 ( -0.039 -3.447 0.000) 3.447 9.650 ( -1.875 -2.044 0.000) 2.774 9.660 ( 0.129 -1.734 0.000) 1.739 9.731 ( 4.356 -1.567 0.000) 4.630 9.798 ( -0.410 -2.365 0.000) 2.400 9.869 ( 1.169 2.865 0.000) 3.094 9.899 ( -2.390 3.847 0.000) 4.529 9.947 ( 2.581 -0.988 0.000) 2.764 9.982 ( 4.694 -0.920 0.000) 4.783 10.021 ( -4.391 0.310 0.000) 4.402 10.070 ( -0.626 -2.974 0.000) 3.039 10.078 ( -1.462 0.327 0.000) 1.498 10.125 ( -3.486 -1.887 0.000) 3.964 10.141 ( 0.653 -0.096 0.000) 0.660 10.181 ( -2.458 -2.121 0.000) 3.246 10.398 ( 1.876 0.859 0.000) 2.064 10.427 ( 0.201 2.599 0.000) 2.607 10.504 ( 2.747 -1.077 0.000) 2.951 10.583 ( -2.451 -2.881 0.000) 3.782 10.629 ( -2.942 3.331 0.000) 4.444 10.664 ( -3.761 1.232 0.000) 3.958 10.796 ( 1.914 -1.405 0.000) 2.374 10.819 ( -0.119 -1.037 0.000) 1.044 10.983 ( 1.034 -1.119 0.000) 1.523 11.020 ( -2.817 -3.096 0.000) 4.186 11.103 ( 1.295 2.238 0.000) 2.585 11.139 ( -2.274 1.982 0.000) 3.016 11.285 ( 2.145 1.455 0.000) 2.592 11.310 ( -0.961 2.456 0.000) 2.637 11.415 ( 0.363 1.689 0.000) 1.728 11.436 ( -1.771 1.976 0.000) 2.654 11.708 ( 0.529 -0.515 0.000) 0.738 11.719 ( -0.491 -0.295 0.000) 0.573 11.793 ( 4.013 2.509 0.000) 4.733 11.851 ( -1.679 1.468 0.000) 2.230 11.932 ( 5.420 -0.083 0.000) 5.421 12.031 ( -4.253 0.098 0.000) 4.254 12.092 ( 5.349 0.990 0.000) 5.440 12.182 ( -2.323 3.393 0.000) 4.112 12.212 ( 1.157 1.173 0.000) 1.647 12.266 ( -3.746 2.526 0.000) 4.518 12.375 ( -2.450 0.468 0.000) 2.494 12.405 ( -4.709 -1.317 0.000) 4.890 12.558 ( 6.485 2.746 0.000) 7.042 12.668 ( -4.660 2.320 0.000) 5.206 12.904 ( 4.409 -1.003 0.000) 4.522 13.033 ( -7.768 -1.869 0.000) 7.990 13.074 ( -3.550 1.874 0.000) 4.014 13.110 ( -6.857 1.451 0.000) 7.009 13.474 ( 3.080 -3.948 0.000) 5.007 13.577 ( -7.138 -2.795 0.000) 7.665 14.124 ( 16.909 -0.445 0.000) 16.915 14.386 ( -9.865 -5.912 0.000) 11.501 14.703 ( 4.234 2.165 0.000) 4.756 14.726 ( 1.962 2.478 0.000) 3.161 15.825 ( 1.469 1.118 0.000) 1.846 15.845 ( -0.082 1.858 0.000) 1.860 16.143 ( 4.212 -5.351 0.000) 6.809 16.168 ( 0.568 -3.498 0.000) 3.544 16.282 ( 4.736 2.045 0.000) 5.159 16.365 ( -2.430 -0.678 0.000) 2.523 16.409 ( 0.862 0.277 0.000) 0.905 16.448 ( -2.989 -1.976 0.000) 3.583 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.000 23.994 0.000) 23.994 1.300 ( 0.000 28.095 0.000) 28.095 1.393 ( 0.000 -11.992 0.000) 11.992 1.488 ( 0.000 10.237 0.000) 10.237 1.755 ( 0.000 6.315 0.000) 6.315 1.835 ( 0.000 2.660 0.000) 2.660 1.836 ( 0.000 2.307 0.000) 2.307 1.912 ( 0.000 -3.508 0.000) 3.508 2.032 ( 0.000 -7.911 0.000) 7.911 2.044 ( 0.000 2.024 0.000) 2.024 2.068 ( 0.000 -6.076 0.000) 6.076 2.089 ( 0.000 -9.155 0.000) 9.155 2.226 ( 0.000 13.022 0.000) 13.022 2.284 ( 0.000 4.232 0.000) 4.232 2.410 ( 0.000 -2.660 0.000) 2.660 2.511 ( 0.000 -6.030 0.000) 6.030 2.672 ( 0.000 -2.185 0.000) 2.185 2.755 ( 0.000 -4.055 0.000) 4.055 2.767 ( 0.000 -4.249 0.000) 4.249 2.856 ( 0.000 -8.353 0.000) 8.353 2.914 ( 0.000 -0.696 0.000) 0.696 2.929 ( 0.000 -2.182 0.000) 2.182 2.955 ( 0.000 5.495 0.000) 5.495 3.101 ( 0.000 -8.545 0.000) 8.545 3.166 ( 0.000 -0.804 0.000) 0.804 3.189 ( 0.000 -4.919 0.000) 4.919 3.198 ( 0.000 0.465 0.000) 0.465 3.256 ( 0.000 -7.053 0.000) 7.053 3.259 ( 0.000 4.358 0.000) 4.358 3.293 ( 0.000 -1.219 0.000) 1.219 3.417 ( 0.000 -1.825 0.000) 1.825 3.449 ( 0.000 -3.300 0.000) 3.300 3.626 ( 0.000 5.870 0.000) 5.870 3.636 ( 0.000 3.329 0.000) 3.329 3.775 ( 0.000 -3.151 0.000) 3.151 3.819 ( 0.000 -6.249 0.000) 6.249 3.932 ( 0.000 1.909 0.000) 1.909 3.935 ( 0.000 1.153 0.000) 1.153 3.946 ( 0.000 -0.701 0.000) 0.701 3.960 ( 0.000 -1.013 0.000) 1.013 4.069 ( 0.000 8.839 0.000) 8.839 4.175 ( 0.000 -0.009 0.000) 0.009 4.201 ( 0.000 -0.862 0.000) 0.862 4.250 ( 0.000 -7.226 0.000) 7.226 4.317 ( 0.000 8.611 0.000) 8.611 4.377 ( 0.000 -0.267 0.000) 0.267 4.422 ( 0.000 0.968 0.000) 0.968 4.462 ( 0.000 -0.873 0.000) 0.873 4.504 ( 0.000 2.855 0.000) 2.855 4.528 ( 0.000 1.576 0.000) 1.576 4.652 ( 0.000 3.576 0.000) 3.576 4.682 ( 0.000 0.147 0.000) 0.147 4.808 ( 0.000 4.739 0.000) 4.739 4.843 ( 0.000 -4.002 0.000) 4.002 4.873 ( 0.000 -3.259 0.000) 3.259 4.931 ( 0.000 -3.730 0.000) 3.730 5.032 ( 0.000 4.280 0.000) 4.280 5.117 ( 0.000 0.843 0.000) 0.843 5.214 ( 0.000 0.979 0.000) 0.979 5.229 ( 0.000 -4.763 0.000) 4.763 5.454 ( 0.000 3.835 0.000) 3.835 5.510 ( 0.000 0.547 0.000) 0.547 5.533 ( 0.000 0.783 0.000) 0.783 5.553 ( 0.000 -4.169 0.000) 4.169 5.649 ( 0.000 -0.044 0.000) 0.044 5.678 ( 0.000 -2.039 0.000) 2.039 5.789 ( 0.000 1.798 0.000) 1.798 5.790 ( 0.000 1.017 0.000) 1.017 5.863 ( 0.000 3.358 0.000) 3.358 5.916 ( 0.000 -2.624 0.000) 2.624 6.090 ( 0.000 -0.137 0.000) 0.137 6.107 ( 0.000 0.036 0.000) 0.036 6.128 ( 0.000 2.949 0.000) 2.949 6.145 ( 0.000 -0.566 0.000) 0.566 6.289 ( 0.000 3.543 0.000) 3.543 6.336 ( 0.000 0.042 0.000) 0.042 6.452 ( 0.000 2.816 0.000) 2.816 6.462 ( 0.000 1.396 0.000) 1.396 6.501 ( 0.000 -2.734 0.000) 2.734 6.511 ( 0.000 -2.416 0.000) 2.416 6.583 ( 0.000 -3.569 0.000) 3.569 6.591 ( 0.000 -3.347 0.000) 3.347 6.794 ( 0.000 -0.628 0.000) 0.628 6.805 ( 0.000 -1.409 0.000) 1.409 6.877 ( 0.000 1.236 0.000) 1.236 6.910 ( 0.000 -0.744 0.000) 0.744 7.016 ( 0.000 3.489 0.000) 3.489 7.092 ( 0.000 -4.346 0.000) 4.346 7.345 ( 0.000 6.642 0.000) 6.642 7.456 ( 0.000 -3.144 0.000) 3.144 7.645 ( 0.000 1.221 0.000) 1.221 7.676 ( 0.000 -2.971 0.000) 2.971 7.795 ( 0.000 2.107 0.000) 2.107 7.840 ( 0.000 -2.535 0.000) 2.535 7.921 ( 0.000 3.050 0.000) 3.050 7.963 ( 0.000 -1.044 0.000) 1.044 7.989 ( 0.000 3.946 0.000) 3.946 8.056 ( 0.000 -2.352 0.000) 2.352 8.330 ( 0.000 -0.062 0.000) 0.062 8.338 ( 0.000 -1.382 0.000) 1.382 8.450 ( 0.000 0.265 0.000) 0.265 8.457 ( 0.000 -0.059 0.000) 0.059 8.528 ( 0.000 2.202 0.000) 2.202 8.608 ( 0.000 -5.144 0.000) 5.144 8.827 ( 0.000 6.403 0.000) 6.403 8.918 ( 0.000 -1.765 0.000) 1.765 8.966 ( 0.000 1.720 0.000) 1.720 8.987 ( 0.000 -0.089 0.000) 0.089 9.021 ( 0.000 -2.055 0.000) 2.055 9.037 ( 0.000 -2.561 0.000) 2.561 9.151 ( 0.000 2.301 0.000) 2.301 9.177 ( 0.000 0.834 0.000) 0.834 9.191 ( 0.000 -1.412 0.000) 1.412 9.201 ( 0.000 -1.510 0.000) 1.510 9.313 ( 0.000 1.860 0.000) 1.860 9.321 ( 0.000 1.210 0.000) 1.210 9.454 ( 0.000 4.910 0.000) 4.910 9.472 ( 0.000 5.440 0.000) 5.440 9.559 ( 0.000 -2.193 0.000) 2.193 9.562 ( 0.000 -2.250 0.000) 2.250 9.582 ( 0.000 -0.325 0.000) 0.325 9.672 ( 0.000 -6.868 0.000) 6.868 9.745 ( 0.000 -0.525 0.000) 0.525 9.768 ( 0.000 -2.339 0.000) 2.339 9.992 ( 0.000 0.912 0.000) 0.912 10.006 ( 0.000 -0.471 0.000) 0.471 10.069 ( 0.000 4.357 0.000) 4.357 10.082 ( 0.000 1.114 0.000) 1.114 10.193 ( 0.000 -2.562 0.000) 2.562 10.196 ( 0.000 0.034 0.000) 0.034 10.244 ( 0.000 -0.438 0.000) 0.438 10.250 ( 0.000 -1.671 0.000) 1.671 10.306 ( 0.000 0.312 0.000) 0.312 10.309 ( 0.000 0.179 0.000) 0.179 10.526 ( 0.000 1.533 0.000) 1.533 10.575 ( 0.000 -3.287 0.000) 3.287 10.674 ( 0.000 1.543 0.000) 1.543 10.738 ( 0.000 -4.457 0.000) 4.457 10.863 ( 0.000 2.188 0.000) 2.188 10.891 ( 0.000 -0.912 0.000) 0.912 11.031 ( 0.000 1.928 0.000) 1.928 11.066 ( 0.000 -1.321 0.000) 1.321 11.152 ( 0.000 3.706 0.000) 3.706 11.220 ( 0.000 -2.837 0.000) 2.837 11.261 ( 0.000 2.791 0.000) 2.791 11.301 ( 0.000 -1.604 0.000) 1.604 11.490 ( 0.000 4.882 0.000) 4.882 11.597 ( 0.000 -5.639 0.000) 5.639 11.705 ( 0.000 2.795 0.000) 2.795 11.725 ( 0.000 -0.689 0.000) 0.689 11.763 ( 0.000 5.067 0.000) 5.067 11.833 ( 0.000 1.345 0.000) 1.345 11.914 ( 0.000 1.062 0.000) 1.062 11.952 ( 0.000 -0.873 0.000) 0.873 12.089 ( 0.000 -0.676 0.000) 0.676 12.117 ( 0.000 -1.969 0.000) 1.969 12.351 ( 0.000 1.971 0.000) 1.971 12.406 ( 0.000 -2.640 0.000) 2.640 12.478 ( 0.000 4.216 0.000) 4.216 12.618 ( 0.000 -9.404 0.000) 9.404 12.822 ( 0.000 0.708 0.000) 0.708 12.861 ( 0.000 -4.179 0.000) 4.179 12.962 ( 0.000 11.841 0.000) 11.841 13.185 ( 0.000 -9.804 0.000) 9.804 13.597 ( 0.000 1.237 0.000) 1.237 13.617 ( 0.000 4.531 0.000) 4.531 13.630 ( 0.000 -0.850 0.000) 0.850 13.722 ( 0.000 -5.037 0.000) 5.037 13.987 ( 0.000 11.271 0.000) 11.271 14.155 ( 0.000 -6.102 0.000) 6.102 14.314 ( 0.000 13.666 0.000) 13.666 14.566 ( 0.000 -11.351 0.000) 11.351 15.484 ( 0.000 5.445 0.000) 5.445 15.595 ( 0.000 -5.818 0.000) 5.818 15.934 ( 0.000 2.557 0.000) 2.557 15.987 ( 0.000 -2.931 0.000) 2.931 16.216 ( 0.000 0.206 0.000) 0.206 16.223 ( 0.000 -0.735 0.000) 0.735 16.381 ( 0.000 0.375 0.000) 0.375 16.401 ( 0.000 -1.544 0.000) 1.544 ======================= Grid point 15 (10/36) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 5.568 22.516 0.000) 23.194 1.330 ( 2.851 16.968 0.000) 17.206 1.473 ( 6.398 -3.108 0.000) 7.113 1.629 ( 12.177 -2.291 0.000) 12.391 1.742 ( 1.637 6.233 0.000) 6.444 1.918 ( 2.418 -3.493 0.000) 4.248 1.960 ( 7.645 3.311 0.000) 8.331 2.003 ( 13.279 2.834 0.000) 13.578 2.041 ( 1.461 -6.714 0.000) 6.871 2.102 ( 3.831 -7.534 0.000) 8.452 2.142 ( 13.857 1.801 0.000) 13.974 2.179 ( 9.992 -4.231 0.000) 10.851 2.238 ( 1.008 12.860 0.000) 12.900 2.308 ( 3.153 2.324 0.000) 3.917 2.455 ( -0.520 -4.182 0.000) 4.214 2.495 ( 1.595 -4.840 0.000) 5.096 2.699 ( 2.098 -2.308 0.000) 3.120 2.737 ( -0.514 -2.072 0.000) 2.134 2.797 ( 2.447 1.613 0.000) 2.931 2.912 ( -2.917 -0.581 0.000) 2.974 2.925 ( 2.206 2.557 0.000) 3.377 2.949 ( 2.242 -3.178 0.000) 3.889 2.974 ( 2.398 -6.247 0.000) 6.691 3.065 ( 1.447 -6.113 0.000) 6.282 3.171 ( 2.563 0.775 0.000) 2.678 3.209 ( 1.408 -0.483 0.000) 1.489 3.250 ( 5.756 -5.819 0.000) 8.185 3.296 ( 0.608 0.786 0.000) 0.994 3.316 ( 5.244 -2.392 0.000) 5.763 3.338 ( 7.450 -4.225 0.000) 8.565 3.410 ( -0.442 -0.884 0.000) 0.988 3.468 ( 2.564 -4.601 0.000) 5.268 3.622 ( -1.401 7.069 0.000) 7.206 3.651 ( 1.695 3.963 0.000) 4.311 3.770 ( -1.578 -1.588 0.000) 2.239 3.801 ( -1.371 -5.763 0.000) 5.923 3.894 ( -0.074 0.730 0.000) 0.733 3.911 ( -0.414 1.188 0.000) 1.258 3.987 ( 1.383 0.588 0.000) 1.503 4.024 ( 4.569 -1.034 0.000) 4.684 4.081 ( -0.341 2.678 0.000) 2.699 4.132 ( -3.542 -2.158 0.000) 4.148 4.209 ( 1.285 0.969 0.000) 1.610 4.252 ( 0.511 -1.758 0.000) 1.831 4.343 ( 1.934 8.849 0.000) 9.058 4.384 ( -0.772 0.122 0.000) 0.782 4.395 ( -0.493 -0.280 0.000) 0.567 4.442 ( -0.712 -0.883 0.000) 1.134 4.487 ( -1.603 0.140 0.000) 1.609 4.494 ( -0.170 -1.111 0.000) 1.124 4.658 ( -1.486 0.668 0.000) 1.629 4.694 ( 0.938 -1.200 0.000) 1.523 4.836 ( 0.780 0.779 0.000) 1.103 4.848 ( 1.400 5.127 0.000) 5.315 4.895 ( 2.119 -3.993 0.000) 4.521 4.928 ( 0.067 -2.713 0.000) 2.713 5.049 ( 1.283 4.383 0.000) 4.567 5.119 ( 0.044 -0.422 0.000) 0.424 5.203 ( -1.219 2.456 0.000) 2.742 5.248 ( 0.886 -2.985 0.000) 3.114 5.389 ( -3.065 0.895 0.000) 3.193 5.438 ( -5.407 -2.895 0.000) 6.133 5.547 ( -2.304 0.883 0.000) 2.467 5.576 ( 1.282 -1.648 0.000) 2.088 5.635 ( -0.904 3.870 0.000) 3.974 5.700 ( 0.884 -1.837 0.000) 2.039 5.789 ( -0.868 0.949 0.000) 1.286 5.815 ( 1.739 0.536 0.000) 1.819 5.837 ( -1.542 3.752 0.000) 4.056 5.930 ( 1.077 -4.252 0.000) 4.386 6.062 ( -1.950 2.986 0.000) 3.566 6.088 ( -1.261 1.521 0.000) 1.976 6.131 ( 0.433 2.654 0.000) 2.689 6.182 ( 2.668 -2.515 0.000) 3.666 6.244 ( -4.359 2.948 0.000) 5.263 6.300 ( -3.716 -1.887 0.000) 4.168 6.396 ( -4.174 3.971 0.000) 5.761 6.450 ( -3.313 0.844 0.000) 3.419 6.469 ( -3.651 -1.290 0.000) 3.872 6.515 ( 1.073 -1.316 0.000) 1.698 6.556 ( -1.206 -2.672 0.000) 2.932 6.601 ( 0.675 -2.680 0.000) 2.764 6.727 ( -2.956 1.393 0.000) 3.268 6.778 ( -1.701 -3.892 0.000) 4.247 6.920 ( -4.043 2.752 0.000) 4.891 6.930 ( 2.235 1.529 0.000) 2.708 7.001 ( 1.335 3.382 0.000) 3.636 7.110 ( 3.518 -5.066 0.000) 6.168 7.322 ( -3.508 5.934 0.000) 6.894 7.430 ( -3.421 -5.108 0.000) 6.148 7.655 ( 1.707 0.871 0.000) 1.916 7.696 ( 1.725 -3.307 0.000) 3.729 7.776 ( -1.491 3.428 0.000) 3.738 7.842 ( -0.484 -2.894 0.000) 2.934 7.909 ( -1.073 2.019 0.000) 2.286 7.936 ( -0.528 0.632 0.000) 0.823 7.968 ( -2.673 5.199 0.000) 5.846 8.074 ( 0.314 -4.477 0.000) 4.488 8.281 ( -2.098 0.736 0.000) 2.224 8.313 ( -0.593 -2.716 0.000) 2.780 8.471 ( -0.010 0.663 0.000) 0.663 8.489 ( 0.009 -0.836 0.000) 0.836 8.587 ( 6.699 2.768 0.000) 7.248 8.656 ( 4.135 -4.081 0.000) 5.810 8.832 ( -0.313 6.308 0.000) 6.316 8.908 ( -3.850 -0.586 0.000) 3.894 8.930 ( -1.768 1.860 0.000) 2.566 8.977 ( 1.741 -2.104 0.000) 2.731 9.011 ( -1.125 -1.958 0.000) 2.258 9.030 ( -0.506 -3.037 0.000) 3.079 9.104 ( -2.414 0.273 0.000) 2.429 9.122 ( -2.357 -1.414 0.000) 2.749 9.220 ( -0.033 1.161 0.000) 1.161 9.241 ( 1.386 -0.485 0.000) 1.469 9.327 ( 0.670 3.232 0.000) 3.301 9.372 ( 4.286 -0.553 0.000) 4.321 9.449 ( 2.140 3.896 0.000) 4.445 9.496 ( 0.792 4.915 0.000) 4.978 9.559 ( 0.446 -3.315 0.000) 3.344 9.591 ( 2.601 -1.115 0.000) 2.830 9.599 ( 2.182 -1.798 0.000) 2.827 9.654 ( -1.103 -6.215 0.000) 6.312 9.775 ( 3.427 1.330 0.000) 3.676 9.828 ( 3.798 -3.027 0.000) 4.856 9.986 ( -0.727 1.549 0.000) 1.711 10.006 ( 0.118 -0.684 0.000) 0.694 10.067 ( -0.004 2.302 0.000) 2.302 10.096 ( 0.685 0.567 0.000) 0.890 10.173 ( -2.364 -1.926 0.000) 3.049 10.186 ( -1.602 -0.650 0.000) 1.729 10.223 ( -3.017 0.595 0.000) 3.075 10.240 ( -1.136 -0.687 0.000) 1.328 10.307 ( 1.507 0.447 0.000) 1.572 10.316 ( 1.616 -0.316 0.000) 1.646 10.521 ( -0.231 0.752 0.000) 0.787 10.557 ( -1.842 -2.496 0.000) 3.102 10.692 ( 1.636 0.484 0.000) 1.706 10.728 ( -0.579 -2.986 0.000) 3.041 10.843 ( -2.052 2.092 0.000) 2.930 10.874 ( -1.973 -1.169 0.000) 2.293 11.032 ( 0.062 2.693 0.000) 2.694 11.075 ( 0.011 -1.703 0.000) 1.703 11.165 ( 0.476 2.945 0.000) 2.983 11.208 ( -2.136 -0.743 0.000) 2.261 11.250 ( 0.260 2.342 0.000) 2.356 11.299 ( 0.929 -2.375 0.000) 2.550 11.491 ( -0.430 3.148 0.000) 3.177 11.559 ( -3.811 -2.927 0.000) 4.805 11.707 ( 0.308 2.485 0.000) 2.504 11.724 ( -0.160 -0.300 0.000) 0.340 11.760 ( -0.145 4.604 0.000) 4.606 11.837 ( 0.578 0.796 0.000) 0.984 11.906 ( -0.381 2.303 0.000) 2.334 11.967 ( 1.463 -1.178 0.000) 1.879 12.093 ( -1.675 -2.127 0.000) 2.708 12.100 ( 0.686 -3.675 0.000) 3.739 12.369 ( 1.860 3.522 0.000) 3.983 12.390 ( -0.980 1.609 0.000) 1.884 12.489 ( 0.741 1.268 0.000) 1.469 12.593 ( -3.367 -6.942 0.000) 7.715 12.703 ( -11.384 3.655 0.000) 11.956 12.779 ( -4.975 -4.361 0.000) 6.616 12.915 ( -3.486 9.533 0.000) 10.150 13.129 ( -3.600 -10.894 0.000) 11.473 13.503 ( -7.108 1.603 0.000) 7.286 13.527 ( -8.154 -0.222 0.000) 8.157 13.705 ( -8.297 10.367 0.000) 13.279 13.808 ( 3.326 7.640 0.000) 8.333 13.849 ( -17.779 -1.984 0.000) 17.889 13.972 ( 13.756 -8.856 0.000) 16.360 14.495 ( 9.888 6.803 0.000) 12.002 14.633 ( 4.150 -6.708 0.000) 7.888 15.632 ( 13.276 5.941 0.000) 14.545 15.739 ( 9.783 -4.436 0.000) 10.742 15.948 ( 1.385 -1.261 0.000) 1.873 15.975 ( -0.434 -3.524 0.000) 3.550 16.228 ( 1.245 0.694 0.000) 1.425 16.251 ( 2.813 -2.226 0.000) 3.587 16.386 ( 0.538 0.585 0.000) 0.795 16.408 ( 0.602 -1.474 0.000) 1.593 ======================= Grid point 16 (11/36) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 8.620 12.042 0.000) 14.809 1.374 ( 1.988 -1.434 0.000) 2.451 1.599 ( 7.230 12.014 0.000) 14.022 1.766 ( 3.592 5.371 0.000) 6.461 1.854 ( 6.418 -6.644 0.000) 9.238 1.949 ( 0.652 -3.958 0.000) 4.011 2.043 ( 1.645 -1.625 0.000) 2.312 2.101 ( 4.869 -3.717 0.000) 6.126 2.150 ( 0.221 4.865 0.000) 4.870 2.214 ( 5.829 -2.800 0.000) 6.466 2.259 ( 0.703 6.626 0.000) 6.663 2.374 ( 5.559 -2.091 0.000) 5.940 2.438 ( 10.752 -7.382 0.000) 13.042 2.489 ( 3.342 -6.132 0.000) 6.984 2.540 ( 10.136 7.690 0.000) 12.723 2.579 ( 16.982 2.516 0.000) 17.168 2.639 ( -5.675 -3.044 0.000) 6.440 2.681 ( 2.496 -6.681 0.000) 7.132 2.828 ( -2.124 3.100 0.000) 3.758 2.864 ( -0.177 -3.510 0.000) 3.515 2.975 ( 5.079 8.515 0.000) 9.915 3.016 ( 6.056 -1.196 0.000) 6.173 3.047 ( 3.832 -5.032 0.000) 6.325 3.186 ( 4.201 -7.577 0.000) 8.663 3.207 ( 2.253 4.857 0.000) 5.354 3.237 ( 0.802 3.163 0.000) 3.263 3.290 ( -1.357 -1.225 0.000) 1.828 3.366 ( 5.111 -5.214 0.000) 7.301 3.396 ( 3.768 -0.396 0.000) 3.789 3.449 ( 4.927 -0.561 0.000) 4.959 3.492 ( 6.730 -4.951 0.000) 8.355 3.560 ( 4.700 -2.763 0.000) 5.452 3.618 ( 3.141 5.310 0.000) 6.169 3.674 ( 0.070 1.874 0.000) 1.876 3.734 ( -0.305 -0.113 0.000) 0.326 3.785 ( 0.324 -4.033 0.000) 4.046 3.923 ( -0.996 -0.295 0.000) 1.039 3.928 ( -0.502 -1.401 0.000) 1.488 3.974 ( 2.841 3.263 0.000) 4.326 4.043 ( -1.692 -1.564 0.000) 2.305 4.122 ( 6.424 -1.359 0.000) 6.566 4.162 ( 5.995 -2.342 0.000) 6.436 4.216 ( 0.936 2.923 0.000) 3.070 4.253 ( -1.200 -1.686 0.000) 2.070 4.336 ( -1.546 5.127 0.000) 5.356 4.380 ( 0.287 1.257 0.000) 1.290 4.420 ( 1.158 0.276 0.000) 1.191 4.452 ( 4.417 -2.015 0.000) 4.855 4.540 ( 3.669 -0.698 0.000) 3.735 4.547 ( 3.903 -1.336 0.000) 4.126 4.615 ( -0.336 1.473 0.000) 1.511 4.683 ( 0.468 -4.605 0.000) 4.629 4.851 ( -0.484 4.822 0.000) 4.846 4.862 ( 1.604 2.966 0.000) 3.372 4.924 ( 0.181 -1.670 0.000) 1.680 4.945 ( 1.896 -2.382 0.000) 3.045 5.061 ( -0.436 4.299 0.000) 4.321 5.118 ( -0.214 -0.000 0.000) 0.214 5.143 ( -5.064 3.847 0.000) 6.360 5.229 ( -3.779 -3.739 0.000) 5.316 5.343 ( -3.235 0.768 0.000) 3.325 5.362 ( -3.229 -1.819 0.000) 3.706 5.473 ( -5.914 2.105 0.000) 6.277 5.520 ( -4.886 -2.343 0.000) 5.419 5.631 ( -0.407 1.878 0.000) 1.921 5.678 ( -2.881 -2.167 0.000) 3.605 5.724 ( -7.074 3.072 0.000) 7.712 5.774 ( -5.126 -1.121 0.000) 5.247 5.850 ( 0.666 4.688 0.000) 4.736 5.946 ( -0.598 -4.606 0.000) 4.644 6.013 ( -2.781 5.718 0.000) 6.358 6.058 ( -1.305 1.565 0.000) 2.038 6.144 ( -0.691 0.986 0.000) 1.204 6.182 ( 2.706 2.758 0.000) 3.863 6.217 ( -3.597 -3.638 0.000) 5.116 6.265 ( 4.547 -1.791 0.000) 4.887 6.332 ( -2.304 3.173 0.000) 3.921 6.381 ( -3.372 2.949 0.000) 4.480 6.413 ( -0.525 -0.066 0.000) 0.529 6.489 ( -2.679 -5.027 0.000) 5.696 6.547 ( -1.234 1.515 0.000) 1.954 6.601 ( -1.785 -1.606 0.000) 2.401 6.718 ( 0.694 0.644 0.000) 0.947 6.755 ( -1.431 -3.031 0.000) 3.352 6.850 ( -0.642 2.807 0.000) 2.880 6.903 ( -1.468 -2.766 0.000) 3.131 7.080 ( 4.078 6.169 0.000) 7.395 7.174 ( -0.414 -1.884 0.000) 1.929 7.231 ( -2.950 3.934 0.000) 4.917 7.335 ( -5.259 -6.201 0.000) 8.130 7.684 ( -0.277 1.409 0.000) 1.436 7.695 ( -1.529 1.079 0.000) 1.871 7.786 ( 2.442 -0.815 0.000) 2.575 7.816 ( -1.587 -2.448 0.000) 2.918 7.885 ( -0.995 2.562 0.000) 2.748 7.920 ( -1.494 -0.504 0.000) 1.576 7.956 ( 1.234 4.042 0.000) 4.226 8.051 ( -1.918 -4.313 0.000) 4.720 8.273 ( 0.543 0.432 0.000) 0.694 8.313 ( -0.125 -3.569 0.000) 3.571 8.462 ( 0.040 1.215 0.000) 1.215 8.491 ( 0.491 -1.557 0.000) 1.632 8.681 ( 0.952 1.673 0.000) 1.925 8.694 ( -0.795 0.005 0.000) 0.795 8.812 ( -0.083 3.073 0.000) 3.074 8.852 ( -0.898 -0.319 0.000) 0.953 8.908 ( -2.130 4.001 0.000) 4.533 8.964 ( -1.726 -2.087 0.000) 2.708 9.014 ( 1.984 1.794 0.000) 2.675 9.058 ( 2.977 -1.899 0.000) 3.532 9.068 ( -0.967 -0.952 0.000) 1.357 9.121 ( 0.823 -5.193 0.000) 5.258 9.214 ( 0.213 1.002 0.000) 1.024 9.245 ( 0.302 -1.125 0.000) 1.165 9.330 ( -0.102 5.007 0.000) 5.008 9.436 ( 1.420 -4.127 0.000) 4.365 9.485 ( 0.500 5.833 0.000) 5.855 9.533 ( 3.431 0.196 0.000) 3.437 9.591 ( 2.298 -2.834 0.000) 3.648 9.622 ( -0.462 -3.711 0.000) 3.740 9.654 ( 2.962 -0.895 0.000) 3.094 9.669 ( 4.090 -3.784 0.000) 5.572 9.856 ( 5.004 2.251 0.000) 5.487 9.885 ( 2.793 0.113 0.000) 2.795 9.964 ( -1.171 1.547 0.000) 1.940 10.015 ( 0.280 -3.828 0.000) 3.838 10.056 ( -1.498 1.652 0.000) 2.230 10.081 ( -3.627 1.681 0.000) 3.997 10.103 ( -3.288 -3.007 0.000) 4.456 10.119 ( -4.339 -1.256 0.000) 4.517 10.185 ( -1.184 2.006 0.000) 2.330 10.208 ( -1.881 -0.530 0.000) 1.955 10.357 ( 3.313 0.687 0.000) 3.384 10.377 ( 4.181 -0.929 0.000) 4.283 10.517 ( -1.519 0.189 0.000) 1.530 10.527 ( 0.165 -1.330 0.000) 1.341 10.716 ( -0.528 -0.401 0.000) 0.663 10.726 ( 1.053 -1.379 0.000) 1.735 10.789 ( -3.638 1.847 0.000) 4.080 10.819 ( -3.265 -1.119 0.000) 3.451 11.016 ( -2.071 1.721 0.000) 2.693 11.039 ( -3.376 -1.120 0.000) 3.557 11.151 ( -1.025 2.482 0.000) 2.686 11.181 ( -0.306 -0.525 0.000) 0.608 11.281 ( 2.145 2.631 0.000) 3.394 11.329 ( 1.334 -1.976 0.000) 2.384 11.465 ( -1.800 2.256 0.000) 2.886 11.492 ( -2.236 -0.023 0.000) 2.236 11.709 ( -0.244 0.762 0.000) 0.801 11.722 ( -0.209 -0.405 0.000) 0.456 11.770 ( 1.718 4.125 0.000) 4.469 11.849 ( 0.581 -1.353 0.000) 1.472 11.919 ( 1.882 3.200 0.000) 3.712 11.996 ( 1.002 -4.419 0.000) 4.531 12.070 ( 0.913 1.588 0.000) 1.832 12.135 ( 2.554 -4.000 0.000) 4.746 12.334 ( -3.566 5.033 0.000) 6.168 12.414 ( -1.662 -1.187 0.000) 2.042 12.464 ( -6.676 2.774 0.000) 7.230 12.480 ( -4.391 0.111 0.000) 4.393 12.579 ( 1.155 6.668 0.000) 6.768 12.736 ( 0.303 -6.995 0.000) 7.001 12.858 ( -2.074 6.628 0.000) 6.945 13.048 ( -5.028 -10.103 0.000) 11.285 13.278 ( -13.104 3.717 0.000) 13.621 13.310 ( -12.303 0.615 0.000) 12.318 13.530 ( -8.843 3.209 0.000) 9.408 13.621 ( -6.812 -5.315 0.000) 8.640 13.968 ( 10.032 11.245 0.000) 15.070 14.200 ( 8.201 -11.913 0.000) 14.463 14.655 ( 6.888 3.458 0.000) 7.707 14.703 ( 3.602 -1.050 0.000) 3.751 15.841 ( 2.337 3.577 0.000) 4.273 15.877 ( 9.501 6.060 0.000) 11.269 15.938 ( 0.106 -4.758 0.000) 4.760 16.032 ( 3.880 -7.484 0.000) 8.430 16.263 ( 2.492 1.792 0.000) 3.070 16.312 ( 3.041 -3.708 0.000) 4.796 16.400 ( 0.815 0.653 0.000) 1.044 16.420 ( 0.540 -1.329 0.000) 1.434 ======================= Grid point 17 (12/36) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 7.573 0.721 0.000) 7.607 1.414 ( 1.292 -3.493 0.000) 3.725 1.721 ( 5.401 11.349 0.000) 12.569 1.805 ( -1.593 7.934 0.000) 8.092 1.924 ( 3.249 -9.441 0.000) 9.984 1.962 ( 0.713 -5.648 0.000) 5.693 2.066 ( 1.416 5.382 0.000) 5.565 2.118 ( -2.494 7.776 0.000) 8.166 2.154 ( -0.006 0.397 0.000) 0.397 2.193 ( -4.793 4.211 0.000) 6.380 2.315 ( 4.984 -2.797 0.000) 5.715 2.411 ( -4.711 -4.980 0.000) 6.855 2.443 ( 1.398 -5.825 0.000) 5.990 2.483 ( -3.204 -6.022 0.000) 6.821 2.637 ( 6.206 -2.284 0.000) 6.613 2.675 ( 6.882 -4.473 0.000) 8.208 2.733 ( -2.592 -1.606 0.000) 3.049 2.765 ( -2.920 -2.491 0.000) 3.838 2.905 ( 9.350 6.788 0.000) 11.555 2.985 ( 2.608 0.174 0.000) 2.614 3.063 ( 4.861 5.521 0.000) 7.356 3.104 ( 2.764 0.883 0.000) 2.902 3.135 ( 3.877 1.671 0.000) 4.222 3.163 ( 1.638 -0.712 0.000) 1.787 3.218 ( -1.654 -1.339 0.000) 2.128 3.246 ( -2.194 -3.559 0.000) 4.181 3.316 ( 5.562 -2.300 0.000) 6.019 3.405 ( -2.317 -8.308 0.000) 8.625 3.473 ( 4.231 2.023 0.000) 4.690 3.541 ( -1.534 -2.648 0.000) 3.060 3.577 ( 7.412 3.102 0.000) 8.034 3.630 ( 1.746 3.674 0.000) 4.068 3.653 ( 2.085 -2.606 0.000) 3.337 3.675 ( -0.122 -0.930 0.000) 0.938 3.745 ( 0.702 2.367 0.000) 2.469 3.791 ( -2.394 -0.877 0.000) 2.550 3.877 ( -1.088 -1.824 0.000) 2.124 3.909 ( -2.419 -4.346 0.000) 4.973 4.047 ( 5.393 0.297 0.000) 5.401 4.083 ( 5.696 -2.719 0.000) 6.311 4.161 ( -5.121 0.784 0.000) 5.180 4.211 ( -3.852 -3.771 0.000) 5.390 4.251 ( 5.298 7.925 0.000) 9.533 4.315 ( 1.062 4.060 0.000) 4.197 4.368 ( 3.559 0.579 0.000) 3.606 4.398 ( 2.061 -2.924 0.000) 3.577 4.456 ( 4.415 1.874 0.000) 4.797 4.494 ( -0.485 -2.143 0.000) 2.197 4.582 ( 5.660 2.729 0.000) 6.283 4.611 ( 6.727 -1.306 0.000) 6.853 4.719 ( 6.092 1.254 0.000) 6.220 4.767 ( -1.101 -0.918 0.000) 1.434 4.843 ( 5.512 2.746 0.000) 6.159 4.872 ( -1.648 0.676 0.000) 1.781 4.953 ( 0.592 0.515 0.000) 0.785 4.960 ( -1.477 0.837 0.000) 1.698 4.992 ( -6.645 5.611 0.000) 8.697 5.045 ( -1.304 -0.481 0.000) 1.390 5.085 ( -4.939 -2.014 0.000) 5.334 5.109 ( -6.449 -3.607 0.000) 7.389 5.264 ( -1.334 2.407 0.000) 2.752 5.324 ( -0.099 -2.862 0.000) 2.864 5.349 ( -4.828 3.017 0.000) 5.694 5.447 ( -5.570 -5.258 0.000) 7.659 5.557 ( -5.450 1.470 0.000) 5.645 5.562 ( -5.595 0.791 0.000) 5.651 5.664 ( 0.539 2.262 0.000) 2.325 5.688 ( -1.578 0.986 0.000) 1.861 5.851 ( 0.578 0.378 0.000) 0.691 5.900 ( -3.645 -3.299 0.000) 4.916 6.012 ( 1.577 4.250 0.000) 4.534 6.040 ( -1.195 1.367 0.000) 1.816 6.148 ( 1.548 1.508 0.000) 2.161 6.181 ( -1.346 -0.575 0.000) 1.463 6.245 ( 2.946 2.577 0.000) 3.914 6.289 ( -2.003 1.906 0.000) 2.766 6.349 ( 2.883 -3.159 0.000) 4.277 6.375 ( 0.523 -2.611 0.000) 2.663 6.431 ( 2.468 0.706 0.000) 2.567 6.467 ( 1.890 -1.782 0.000) 2.598 6.504 ( -2.781 2.912 0.000) 4.027 6.547 ( -3.595 -0.369 0.000) 3.614 6.693 ( -2.014 1.450 0.000) 2.482 6.701 ( -2.902 0.350 0.000) 2.923 6.926 ( 6.206 -0.064 0.000) 6.206 6.945 ( 5.719 -2.568 0.000) 6.269 7.062 ( -7.260 1.386 0.000) 7.391 7.071 ( -5.138 1.619 0.000) 5.387 7.259 ( 2.526 -0.697 0.000) 2.621 7.288 ( -0.580 -3.607 0.000) 3.653 7.651 ( -1.279 1.985 0.000) 2.361 7.660 ( -2.111 1.194 0.000) 2.425 7.815 ( 1.269 0.111 0.000) 1.274 7.825 ( 0.974 -0.661 0.000) 1.177 7.872 ( -0.291 1.053 0.000) 1.092 7.888 ( -1.628 -0.217 0.000) 1.643 7.987 ( 1.814 0.851 0.000) 2.003 8.019 ( -1.558 -1.859 0.000) 2.426 8.286 ( 0.769 -1.357 0.000) 1.560 8.302 ( -0.901 -2.809 0.000) 2.950 8.483 ( 2.028 1.262 0.000) 2.389 8.507 ( 0.470 -1.031 0.000) 1.133 8.633 ( -2.201 1.378 0.000) 2.597 8.655 ( -3.346 -0.624 0.000) 3.404 8.822 ( 0.533 2.028 0.000) 2.097 8.839 ( -1.150 0.588 0.000) 1.292 8.904 ( 1.913 3.075 0.000) 3.622 8.939 ( -1.483 -0.059 0.000) 1.485 9.062 ( 1.257 -0.157 0.000) 1.267 9.065 ( 2.310 1.920 0.000) 3.004 9.113 ( -0.134 -2.007 0.000) 2.011 9.116 ( 0.139 -1.265 0.000) 1.272 9.227 ( 1.449 1.685 0.000) 2.222 9.261 ( -0.550 2.097 0.000) 2.168 9.343 ( 2.823 -2.140 0.000) 3.542 9.411 ( -3.002 -4.466 0.000) 5.382 9.521 ( 2.241 0.979 0.000) 2.445 9.552 ( -0.994 -2.020 0.000) 2.252 9.618 ( 0.709 -1.504 0.000) 1.663 9.623 ( 0.362 -2.022 0.000) 2.054 9.715 ( 2.973 0.076 0.000) 2.974 9.732 ( 1.541 -2.165 0.000) 2.657 9.939 ( 2.344 1.246 0.000) 2.655 9.943 ( 1.668 3.590 0.000) 3.958 9.970 ( 3.479 -0.036 0.000) 3.479 9.986 ( -2.057 1.182 0.000) 2.372 9.999 ( -3.462 -0.335 0.000) 3.478 10.032 ( 0.382 -3.860 0.000) 3.879 10.053 ( -3.272 -0.626 0.000) 3.331 10.064 ( -1.795 -1.268 0.000) 2.197 10.163 ( -0.845 0.997 0.000) 1.307 10.172 ( -1.717 0.011 0.000) 1.717 10.420 ( 3.333 1.472 0.000) 3.644 10.459 ( 4.393 -1.971 0.000) 4.815 10.479 ( -2.615 1.667 0.000) 3.101 10.523 ( -1.672 -2.702 0.000) 3.177 10.686 ( -1.437 2.450 0.000) 2.840 10.703 ( -2.996 1.815 0.000) 3.503 10.759 ( 0.971 -1.615 0.000) 1.884 10.781 ( -1.168 -2.555 0.000) 2.809 10.979 ( -0.976 0.347 0.000) 1.036 10.987 ( -1.729 -0.616 0.000) 1.836 11.147 ( 0.412 1.938 0.000) 1.981 11.165 ( -1.287 0.351 0.000) 1.334 11.314 ( 1.332 1.411 0.000) 1.940 11.333 ( -0.645 -0.200 0.000) 0.675 11.456 ( 0.543 1.900 0.000) 1.976 11.468 ( -0.720 0.842 0.000) 1.108 11.706 ( 0.030 0.227 0.000) 0.229 11.712 ( -0.592 -0.360 0.000) 0.693 11.821 ( 2.902 1.197 0.000) 3.139 11.853 ( -0.443 -1.274 0.000) 1.349 11.966 ( 2.709 2.096 0.000) 3.425 12.001 ( -0.502 -1.968 0.000) 2.031 12.122 ( 3.404 2.243 0.000) 4.076 12.168 ( -0.422 -2.144 0.000) 2.185 12.288 ( 0.304 3.540 0.000) 3.553 12.332 ( -3.641 2.310 0.000) 4.312 12.353 ( -3.365 -1.019 0.000) 3.516 12.393 ( -5.208 -1.191 0.000) 5.342 12.669 ( 5.500 7.540 0.000) 9.333 12.738 ( -1.497 3.238 0.000) 3.567 12.866 ( 3.139 -1.409 0.000) 3.440 12.950 ( -5.153 -6.612 0.000) 8.383 13.115 ( -3.952 1.937 0.000) 4.401 13.133 ( -5.523 0.367 0.000) 5.535 13.429 ( -0.967 0.460 0.000) 1.071 13.492 ( -6.424 -5.029 0.000) 8.159 14.152 ( 8.565 3.666 0.000) 9.317 14.257 ( -1.874 -6.649 0.000) 6.908 14.746 ( 2.829 1.768 0.000) 3.336 14.759 ( 1.541 0.574 0.000) 1.645 15.868 ( 1.215 3.150 0.000) 3.376 15.893 ( -1.431 2.131 0.000) 2.567 16.040 ( 4.364 -3.590 0.000) 5.651 16.074 ( 0.415 -5.286 0.000) 5.302 16.318 ( 2.879 1.632 0.000) 3.310 16.346 ( 0.228 -1.288 0.000) 1.309 16.413 ( 0.590 0.316 0.000) 0.669 16.423 ( -0.306 -0.677 0.000) 0.743 ======================= Grid point 35 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.000 0.000 25.055) 25.055 0.645 ( 0.000 0.000 30.961) 30.961 0.923 ( 0.000 0.000 45.577) 45.577 1.387 ( 0.000 0.000 -7.399) 7.399 1.600 ( 0.000 0.000 -9.405) 9.405 1.669 ( 0.000 0.000 1.509) 1.509 1.827 ( 0.000 0.000 5.938) 5.938 1.841 ( 0.000 0.000 -2.522) 2.522 2.053 ( 0.000 0.000 -0.332) 0.332 2.112 ( 0.000 0.000 -1.393) 1.393 2.130 ( 0.000 0.000 -4.276) 4.276 2.320 ( 0.000 0.000 2.778) 2.778 2.348 ( 0.000 0.000 2.738) 2.738 2.459 ( 0.000 0.000 -7.698) 7.698 2.564 ( 0.000 0.000 -0.626) 0.626 2.604 ( 0.000 0.000 -1.520) 1.520 2.704 ( 0.000 0.000 2.508) 2.508 2.736 ( 0.000 0.000 1.979) 1.979 2.817 ( 0.000 0.000 -1.487) 1.487 2.861 ( 0.000 0.000 -1.622) 1.622 2.875 ( 0.000 0.000 -11.075) 11.075 2.962 ( 0.000 0.000 -4.517) 4.517 3.046 ( 0.000 0.000 -8.747) 8.747 3.091 ( 0.000 0.000 -1.478) 1.478 3.150 ( 0.000 0.000 -2.529) 2.529 3.209 ( 0.000 0.000 1.181) 1.181 3.387 ( 0.000 0.000 6.053) 6.053 3.399 ( 0.000 0.000 1.104) 1.104 3.414 ( 0.000 0.000 1.646) 1.646 3.456 ( 0.000 0.000 0.676) 0.676 3.538 ( 0.000 0.000 5.913) 5.913 3.581 ( 0.000 0.000 -6.335) 6.335 3.659 ( 0.000 0.000 2.423) 2.423 3.685 ( 0.000 0.000 -3.153) 3.153 3.782 ( 0.000 0.000 1.618) 1.618 3.782 ( 0.000 0.000 1.708) 1.708 3.861 ( 0.000 0.000 0.164) 0.164 3.864 ( 0.000 0.000 -0.274) 0.274 3.963 ( 0.000 0.000 1.247) 1.247 4.014 ( 0.000 0.000 -2.669) 2.669 4.075 ( 0.000 0.000 -1.582) 1.582 4.092 ( 0.000 0.000 6.034) 6.034 4.127 ( 0.000 0.000 3.632) 3.632 4.224 ( 0.000 0.000 -1.584) 1.584 4.270 ( 0.000 0.000 -3.580) 3.580 4.283 ( 0.000 0.000 0.449) 0.449 4.378 ( 0.000 0.000 -0.885) 0.885 4.444 ( 0.000 0.000 4.178) 4.178 4.514 ( 0.000 0.000 -1.584) 1.584 4.540 ( 0.000 0.000 5.436) 5.436 4.623 ( 0.000 0.000 -3.805) 3.805 4.811 ( 0.000 0.000 7.799) 7.799 4.824 ( 0.000 0.000 -3.240) 3.240 4.961 ( 0.000 0.000 -1.303) 1.303 4.962 ( 0.000 0.000 3.095) 3.095 5.009 ( 0.000 0.000 0.251) 0.251 5.072 ( 0.000 0.000 4.060) 4.060 5.072 ( 0.000 0.000 -0.838) 0.838 5.239 ( 0.000 0.000 1.395) 1.395 5.374 ( 0.000 0.000 -5.106) 5.106 5.418 ( 0.000 0.000 -2.255) 2.255 5.424 ( 0.000 0.000 1.828) 1.828 5.447 ( 0.000 0.000 -4.270) 4.270 5.478 ( 0.000 0.000 -4.397) 4.397 5.624 ( 0.000 0.000 -5.357) 5.357 5.682 ( 0.000 0.000 -0.202) 0.202 5.698 ( 0.000 0.000 1.904) 1.904 5.762 ( 0.000 0.000 -0.244) 0.244 5.841 ( 0.000 0.000 -3.256) 3.256 5.875 ( 0.000 0.000 3.157) 3.157 5.946 ( 0.000 0.000 -0.522) 0.522 6.080 ( 0.000 0.000 -0.421) 0.421 6.081 ( 0.000 0.000 -5.922) 5.922 6.091 ( 0.000 0.000 -1.007) 1.007 6.255 ( 0.000 0.000 3.913) 3.913 6.281 ( 0.000 0.000 2.980) 2.980 6.308 ( 0.000 0.000 -0.285) 0.285 6.395 ( 0.000 0.000 -3.630) 3.630 6.425 ( 0.000 0.000 -1.021) 1.021 6.472 ( 0.000 0.000 -0.745) 0.745 6.729 ( 0.000 0.000 2.456) 2.456 6.760 ( 0.000 0.000 -2.265) 2.265 6.796 ( 0.000 0.000 0.159) 0.159 6.823 ( 0.000 0.000 -3.932) 3.932 6.854 ( 0.000 0.000 -1.259) 1.259 6.897 ( 0.000 0.000 1.243) 1.243 6.967 ( 0.000 0.000 -0.446) 0.446 7.113 ( 0.000 0.000 9.201) 9.201 7.176 ( 0.000 0.000 4.180) 4.180 7.429 ( 0.000 0.000 0.865) 0.865 7.612 ( 0.000 0.000 2.360) 2.360 7.655 ( 0.000 0.000 -2.359) 2.359 7.727 ( 0.000 0.000 -2.085) 2.085 7.833 ( 0.000 0.000 0.898) 0.898 7.846 ( 0.000 0.000 -2.088) 2.088 7.916 ( 0.000 0.000 -1.073) 1.073 7.963 ( 0.000 0.000 -1.245) 1.245 7.987 ( 0.000 0.000 0.656) 0.656 8.332 ( 0.000 0.000 -0.776) 0.776 8.435 ( 0.000 0.000 -1.885) 1.885 8.477 ( 0.000 0.000 -0.055) 0.055 8.655 ( 0.000 0.000 0.570) 0.570 8.690 ( 0.000 0.000 3.786) 3.786 8.722 ( 0.000 0.000 -3.782) 3.782 8.799 ( 0.000 0.000 1.324) 1.324 8.883 ( 0.000 0.000 -1.169) 1.169 8.883 ( 0.000 0.000 1.506) 1.506 9.025 ( 0.000 0.000 -1.599) 1.599 9.068 ( 0.000 0.000 -1.798) 1.798 9.122 ( 0.000 0.000 -2.245) 2.245 9.139 ( 0.000 0.000 0.070) 0.070 9.188 ( 0.000 0.000 -0.002) 0.002 9.211 ( 0.000 0.000 -0.673) 0.673 9.239 ( 0.000 0.000 -1.892) 1.892 9.312 ( 0.000 0.000 9.905) 9.905 9.347 ( 0.000 0.000 2.094) 2.094 9.414 ( 0.000 0.000 5.816) 5.816 9.515 ( 0.000 0.000 4.796) 4.796 9.559 ( 0.000 0.000 -1.469) 1.469 9.617 ( 0.000 0.000 1.970) 1.970 9.668 ( 0.000 0.000 -0.324) 0.324 9.781 ( 0.000 0.000 -1.066) 1.066 9.784 ( 0.000 0.000 -5.526) 5.526 9.826 ( 0.000 0.000 0.433) 0.433 9.865 ( 0.000 0.000 1.872) 1.872 9.905 ( 0.000 0.000 -3.807) 3.807 10.020 ( 0.000 0.000 -2.472) 2.472 10.084 ( 0.000 0.000 -0.653) 0.653 10.096 ( 0.000 0.000 2.558) 2.558 10.156 ( 0.000 0.000 1.808) 1.808 10.217 ( 0.000 0.000 -2.996) 2.996 10.232 ( 0.000 0.000 -4.870) 4.870 10.345 ( 0.000 0.000 0.594) 0.594 10.356 ( 0.000 0.000 4.270) 4.270 10.556 ( 0.000 0.000 4.283) 4.283 10.647 ( 0.000 0.000 -2.800) 2.800 10.719 ( 0.000 0.000 -3.444) 3.444 10.783 ( 0.000 0.000 4.263) 4.263 10.830 ( 0.000 0.000 -2.003) 2.003 10.930 ( 0.000 0.000 0.938) 0.938 10.931 ( 0.000 0.000 4.364) 4.364 11.059 ( 0.000 0.000 -1.120) 1.120 11.167 ( 0.000 0.000 0.619) 0.619 11.257 ( 0.000 0.000 -3.833) 3.833 11.344 ( 0.000 0.000 -2.843) 2.843 11.386 ( 0.000 0.000 2.903) 2.903 11.499 ( 0.000 0.000 -2.310) 2.310 11.653 ( 0.000 0.000 -0.466) 0.466 11.686 ( 0.000 0.000 2.903) 2.903 11.706 ( 0.000 0.000 -0.130) 0.130 11.747 ( 0.000 0.000 0.460) 0.460 11.775 ( 0.000 0.000 -0.076) 0.076 11.871 ( 0.000 0.000 4.565) 4.565 11.910 ( 0.000 0.000 -2.079) 2.079 12.039 ( 0.000 0.000 -2.001) 2.001 12.094 ( 0.000 0.000 1.494) 1.494 12.155 ( 0.000 0.000 1.250) 1.250 12.402 ( 0.000 0.000 -4.108) 4.108 12.414 ( 0.000 0.000 -2.332) 2.332 12.695 ( 0.000 0.000 -5.868) 5.868 12.807 ( 0.000 0.000 -4.428) 4.428 12.870 ( 0.000 0.000 0.804) 0.804 13.167 ( 0.000 0.000 1.637) 1.637 13.274 ( 0.000 0.000 3.178) 3.178 13.429 ( 0.000 0.000 -2.191) 2.191 13.552 ( 0.000 0.000 -2.057) 2.057 13.669 ( 0.000 0.000 2.414) 2.414 13.692 ( 0.000 0.000 1.922) 1.922 13.943 ( 0.000 0.000 -2.964) 2.964 14.021 ( 0.000 0.000 16.678) 16.678 14.294 ( 0.000 0.000 3.092) 3.092 14.752 ( 0.000 0.000 -2.905) 2.905 15.069 ( 0.000 0.000 -0.028) 0.028 15.636 ( 0.000 0.000 -4.550) 4.550 15.787 ( 0.000 0.000 -1.060) 1.060 16.063 ( 0.000 0.000 -1.506) 1.506 16.100 ( 0.000 0.000 -0.156) 0.156 16.180 ( 0.000 0.000 -1.213) 1.213 16.470 ( 0.000 0.000 1.848) 1.848 16.635 ( 0.000 0.000 -1.749) 1.749 ======================= Grid point 36 (14/36) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 17.120 0.000 19.583) 26.011 0.807 ( 15.433 0.000 23.775) 28.345 1.310 ( 31.407 0.000 20.300) 37.397 1.449 ( 9.434 0.000 -3.162) 9.950 1.654 ( -2.392 0.000 3.376) 4.138 1.759 ( 11.605 0.000 -10.418) 15.595 1.871 ( 5.332 0.000 8.754) 10.250 1.928 ( 7.342 0.000 -1.748) 7.547 2.074 ( 1.481 0.000 -8.088) 8.223 2.127 ( 6.291 0.000 0.268) 6.296 2.247 ( 5.470 0.000 -2.887) 6.185 2.310 ( 0.423 0.000 -1.282) 1.350 2.361 ( 0.288 0.000 2.573) 2.589 2.454 ( 2.194 0.000 -8.526) 8.804 2.515 ( -1.484 0.000 2.659) 3.045 2.641 ( 0.488 0.000 2.667) 2.711 2.742 ( 6.932 0.000 2.849) 7.495 2.797 ( -0.407 0.000 -0.346) 0.534 2.845 ( 4.222 0.000 0.396) 4.241 2.876 ( 2.169 0.000 -7.233) 7.551 2.919 ( 2.903 0.000 -7.857) 8.377 3.002 ( 2.542 0.000 3.792) 4.565 3.058 ( 4.129 0.000 -5.325) 6.739 3.088 ( -2.098 0.000 -6.920) 7.231 3.135 ( 1.525 0.000 0.247) 1.545 3.240 ( 0.751 0.000 -2.412) 2.526 3.314 ( -0.213 0.000 3.068) 3.076 3.389 ( -1.209 0.000 -0.089) 1.212 3.442 ( 2.536 0.000 4.216) 4.920 3.530 ( 1.540 0.000 6.287) 6.473 3.547 ( -2.033 0.000 -5.051) 5.445 3.589 ( 0.496 0.000 2.987) 3.028 3.629 ( 3.600 0.000 -2.135) 4.185 3.674 ( -4.501 0.000 2.218) 5.018 3.760 ( 4.631 0.000 -0.577) 4.667 3.768 ( -2.446 0.000 3.195) 4.024 3.810 ( -2.768 0.000 -3.281) 4.293 3.896 ( 3.548 0.000 -1.098) 3.714 4.000 ( 1.851 0.000 2.673) 3.252 4.028 ( -0.632 0.000 -1.170) 1.329 4.077 ( 1.274 0.000 1.928) 2.311 4.106 ( 2.415 0.000 1.739) 2.976 4.167 ( 2.862 0.000 3.858) 4.804 4.203 ( -1.181 0.000 1.464) 1.881 4.271 ( 1.718 0.000 -1.015) 1.995 4.360 ( 1.281 0.000 -3.154) 3.404 4.385 ( 0.479 0.000 -1.598) 1.668 4.425 ( -0.768 0.000 -1.537) 1.719 4.528 ( 3.139 0.000 1.045) 3.308 4.574 ( 2.507 0.000 1.873) 3.129 4.635 ( 2.449 0.000 -0.300) 2.467 4.787 ( -3.082 0.000 2.694) 4.094 4.815 ( -0.546 0.000 -1.322) 1.431 4.915 ( -3.556 0.000 1.711) 3.947 4.933 ( -2.526 0.000 1.019) 2.724 4.976 ( -2.521 0.000 1.307) 2.840 5.049 ( -1.499 0.000 1.168) 1.900 5.096 ( 0.759 0.000 0.555) 0.940 5.219 ( -2.882 0.000 4.013) 4.940 5.295 ( -5.454 0.000 1.747) 5.727 5.353 ( -3.206 0.000 -2.124) 3.846 5.432 ( 1.193 0.000 -2.207) 2.509 5.475 ( 4.300 0.000 -0.444) 4.323 5.516 ( 2.486 0.000 -2.603) 3.600 5.605 ( -2.747 0.000 -2.703) 3.854 5.622 ( -2.765 0.000 0.053) 2.766 5.679 ( -2.475 0.000 0.832) 2.611 5.777 ( -0.102 0.000 -0.139) 0.172 5.841 ( -0.529 0.000 2.213) 2.275 5.881 ( -2.775 0.000 -0.412) 2.805 5.917 ( 1.858 0.000 -1.203) 2.214 6.034 ( -2.587 0.000 -6.553) 7.045 6.093 ( 0.331 0.000 -1.838) 1.867 6.130 ( 2.258 0.000 1.371) 2.642 6.224 ( -1.234 0.000 5.355) 5.495 6.286 ( 1.745 0.000 0.072) 1.747 6.319 ( -1.255 0.000 -0.361) 1.305 6.348 ( -6.048 0.000 3.077) 6.785 6.401 ( -0.059 0.000 -4.012) 4.013 6.549 ( 2.127 0.000 -3.692) 4.261 6.665 ( -4.623 0.000 2.075) 5.067 6.727 ( 0.200 0.000 1.891) 1.901 6.771 ( -2.774 0.000 -1.441) 3.126 6.794 ( -1.662 0.000 -1.063) 1.973 6.873 ( -1.243 0.000 0.671) 1.413 6.921 ( -3.745 0.000 0.811) 3.832 6.983 ( 6.421 0.000 -4.145) 7.643 7.092 ( -2.808 0.000 3.668) 4.620 7.208 ( 1.914 0.000 4.574) 4.958 7.510 ( -0.451 0.000 -4.051) 4.076 7.602 ( 1.709 0.000 0.469) 1.772 7.659 ( 0.916 0.000 -2.018) 2.216 7.729 ( 0.467 0.000 -1.261) 1.344 7.823 ( -1.026 0.000 -0.824) 1.316 7.859 ( 0.116 0.000 0.324) 0.345 7.900 ( 1.820 0.000 -4.099) 4.484 7.939 ( -1.901 0.000 -1.515) 2.431 8.093 ( 6.365 0.000 -0.007) 6.365 8.355 ( 1.798 0.000 -1.133) 2.125 8.406 ( -5.945 0.000 2.322) 6.382 8.467 ( 2.451 0.000 -1.306) 2.777 8.604 ( -3.684 0.000 1.649) 4.036 8.633 ( -5.824 0.000 6.471) 8.706 8.680 ( -1.428 0.000 2.970) 3.296 8.777 ( -0.108 0.000 -3.494) 3.496 8.830 ( 1.686 0.000 2.646) 3.138 8.877 ( -3.434 0.000 -1.955) 3.951 8.993 ( -3.177 0.000 -0.602) 3.234 9.068 ( -2.257 0.000 -1.049) 2.489 9.102 ( -2.298 0.000 -0.145) 2.302 9.136 ( -0.562 0.000 -1.170) 1.298 9.165 ( 0.868 0.000 -0.367) 0.943 9.213 ( 1.514 0.000 -0.426) 1.573 9.263 ( 1.345 0.000 -0.251) 1.368 9.324 ( 0.800 0.000 7.618) 7.660 9.360 ( 2.078 0.000 3.503) 4.073 9.444 ( 2.536 0.000 3.963) 4.705 9.564 ( 1.143 0.000 0.834) 1.415 9.598 ( 1.675 0.000 -0.740) 1.832 9.683 ( 4.145 0.000 0.542) 4.181 9.703 ( 2.738 0.000 -3.703) 4.605 9.772 ( -3.014 0.000 -3.618) 4.709 9.795 ( 1.927 0.000 -3.738) 4.206 9.834 ( 0.908 0.000 -1.429) 1.693 9.862 ( 2.032 0.000 0.180) 2.040 9.971 ( 0.284 0.000 -0.499) 0.574 10.039 ( 0.705 0.000 -1.438) 1.602 10.111 ( 1.145 0.000 2.011) 2.314 10.114 ( 5.072 0.000 -3.337) 6.071 10.173 ( 0.418 0.000 -1.785) 1.833 10.195 ( -0.475 0.000 -0.993) 1.101 10.219 ( -0.555 0.000 -2.754) 2.809 10.336 ( -1.384 0.000 3.326) 3.602 10.392 ( 3.442 0.000 1.407) 3.719 10.550 ( -0.411 0.000 0.830) 0.926 10.610 ( -3.130 0.000 -3.033) 4.358 10.697 ( -1.795 0.000 -2.475) 3.057 10.765 ( -1.331 0.000 3.290) 3.549 10.854 ( -1.226 0.000 0.093) 1.229 10.873 ( -2.405 0.000 -1.508) 2.839 10.962 ( 1.264 0.000 3.493) 3.715 11.068 ( 0.230 0.000 -0.194) 0.301 11.162 ( 0.556 0.000 0.624) 0.836 11.191 ( -3.298 0.000 -0.628) 3.357 11.373 ( -2.700 0.000 3.051) 4.074 11.407 ( 2.934 0.000 -3.516) 4.580 11.448 ( -4.915 0.000 4.540) 6.691 11.493 ( -9.243 0.000 7.368) 11.821 11.658 ( -1.290 0.000 -0.347) 1.336 11.707 ( 0.229 0.000 -0.408) 0.468 11.733 ( -2.480 0.000 -0.550) 2.541 11.800 ( 1.960 0.000 3.271) 3.813 11.848 ( 1.941 0.000 2.363) 3.058 11.923 ( 0.607 0.000 -0.670) 0.904 12.030 ( 0.134 0.000 -1.316) 1.323 12.111 ( 0.660 0.000 1.459) 1.601 12.228 ( 6.724 0.000 -1.247) 6.839 12.312 ( -4.568 0.000 -2.523) 5.219 12.392 ( -4.433 0.000 -0.432) 4.454 12.616 ( -7.889 0.000 -6.007) 9.916 12.716 ( -3.733 0.000 4.909) 6.167 12.850 ( -6.201 0.000 4.976) 7.951 12.975 ( -2.504 0.000 3.023) 3.925 13.221 ( -6.803 0.000 -7.001) 9.761 13.429 ( -8.629 0.000 0.230) 8.632 13.455 ( -5.849 0.000 0.156) 5.851 13.526 ( 2.429 0.000 1.484) 2.847 13.674 ( -2.533 0.000 7.127) 7.564 13.839 ( -13.020 0.000 0.982) 13.057 14.181 ( 17.135 0.000 -1.937) 17.244 14.388 ( 6.952 0.000 5.910) 9.125 14.942 ( 2.474 0.000 14.364) 14.575 15.331 ( 19.899 0.000 -15.012) 24.927 15.781 ( -0.153 0.000 -1.925) 1.932 15.952 ( 16.414 0.000 -18.245) 24.541 16.064 ( 2.497 0.000 -4.473) 5.122 16.126 ( 2.521 0.000 -1.507) 2.937 16.195 ( 1.575 0.000 -0.843) 1.786 16.468 ( -0.482 0.000 1.949) 2.008 16.586 ( -3.789 0.000 -1.771) 4.183 ======================= Grid point 37 (15/36) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 17.392 0.000 11.120) 20.644 1.151 ( 19.401 0.000 13.733) 23.769 1.517 ( 5.455 0.000 -8.531) 10.126 1.602 ( -1.426 0.000 6.113) 6.277 1.856 ( 5.170 0.000 4.301) 6.726 1.965 ( 13.849 0.000 0.788) 13.872 2.019 ( 0.615 0.000 2.317) 2.398 2.056 ( 9.095 0.000 -2.584) 9.455 2.145 ( 9.156 0.000 -4.542) 10.220 2.267 ( 1.876 0.000 -2.120) 2.830 2.294 ( 9.870 0.000 4.852) 10.998 2.333 ( 1.501 0.000 -6.073) 6.256 2.396 ( 0.467 0.000 -4.610) 4.633 2.469 ( -1.492 0.000 2.235) 2.688 2.601 ( 7.303 0.000 -0.670) 7.334 2.636 ( 0.182 0.000 1.951) 1.959 2.787 ( 0.867 0.000 -2.487) 2.634 2.834 ( -0.983 0.000 -3.630) 3.761 2.890 ( 2.140 0.000 2.713) 3.455 2.921 ( 5.764 0.000 -2.713) 6.370 2.966 ( -0.795 0.000 -2.698) 2.812 3.042 ( 3.541 0.000 -3.613) 5.059 3.096 ( 8.677 0.000 1.117) 8.749 3.165 ( 2.659 0.000 -0.549) 2.715 3.222 ( 5.209 0.000 -3.181) 6.103 3.245 ( 2.240 0.000 -3.563) 4.209 3.343 ( 1.708 0.000 1.662) 2.383 3.395 ( -0.490 0.000 2.005) 2.064 3.478 ( -1.552 0.000 2.475) 2.921 3.527 ( 4.876 0.000 2.067) 5.297 3.534 ( -1.009 0.000 6.706) 6.781 3.598 ( 1.097 0.000 -1.598) 1.938 3.649 ( 2.437 0.000 -1.256) 2.742 3.718 ( 5.528 0.000 1.812) 5.817 3.776 ( -0.867 0.000 -1.980) 2.161 3.788 ( 4.309 0.000 -0.441) 4.332 3.874 ( 6.724 0.000 -1.560) 6.903 3.976 ( 1.988 0.000 0.163) 1.995 4.006 ( 1.865 0.000 -2.250) 2.923 4.066 ( -2.716 0.000 3.013) 4.057 4.071 ( 2.625 0.000 3.450) 4.335 4.155 ( 3.571 0.000 -0.101) 3.573 4.176 ( 0.326 0.000 4.410) 4.422 4.249 ( 4.190 0.000 0.846) 4.274 4.289 ( 0.478 0.000 -1.035) 1.140 4.330 ( -1.345 0.000 -1.066) 1.716 4.406 ( 1.858 0.000 1.062) 2.140 4.461 ( 4.213 0.000 -5.128) 6.637 4.574 ( -0.756 0.000 -0.323) 0.822 4.632 ( 3.550 0.000 -0.103) 3.551 4.703 ( -1.610 0.000 1.422) 2.148 4.728 ( 2.497 0.000 1.753) 3.051 4.808 ( 1.147 0.000 -2.122) 2.412 4.869 ( -1.046 0.000 -1.647) 1.951 4.884 ( -3.210 0.000 2.300) 3.949 4.929 ( -2.892 0.000 2.287) 3.687 4.979 ( -4.535 0.000 4.420) 6.332 5.082 ( -3.538 0.000 -0.283) 3.550 5.145 ( -2.970 0.000 3.943) 4.936 5.245 ( -3.291 0.000 1.135) 3.481 5.293 ( -3.134 0.000 -2.467) 3.988 5.410 ( -4.716 0.000 -1.143) 4.853 5.493 ( -4.312 0.000 -1.222) 4.481 5.542 ( -1.779 0.000 1.550) 2.360 5.564 ( 2.651 0.000 -2.187) 3.436 5.591 ( -1.863 0.000 -2.579) 3.181 5.691 ( 5.640 0.000 1.154) 5.757 5.743 ( -2.772 0.000 4.278) 5.097 5.775 ( -7.145 0.000 0.799) 7.190 5.806 ( -4.255 0.000 1.631) 4.557 5.968 ( -1.122 0.000 -4.194) 4.341 5.985 ( 0.688 0.000 -4.384) 4.438 6.095 ( 0.713 0.000 -2.843) 2.931 6.150 ( -4.131 0.000 1.405) 4.364 6.215 ( 2.257 0.000 1.961) 2.990 6.235 ( 2.610 0.000 1.297) 2.915 6.313 ( 1.204 0.000 -0.948) 1.533 6.344 ( -1.219 0.000 -0.338) 1.265 6.413 ( 1.817 0.000 -0.618) 1.919 6.533 ( -2.677 0.000 -2.971) 3.999 6.585 ( -3.862 0.000 0.614) 3.911 6.668 ( -5.746 0.000 -0.798) 5.801 6.745 ( -6.048 0.000 0.069) 6.048 6.777 ( 1.855 0.000 0.543) 1.933 6.834 ( -2.744 0.000 -0.328) 2.763 6.858 ( 0.307 0.000 -0.597) 0.671 7.037 ( 0.076 0.000 2.757) 2.758 7.109 ( 3.539 0.000 -1.361) 3.792 7.247 ( 2.684 0.000 2.593) 3.732 7.430 ( -4.446 0.000 -1.347) 4.645 7.618 ( -0.559 0.000 0.615) 0.831 7.682 ( 0.177 0.000 0.832) 0.851 7.761 ( 2.895 0.000 -1.164) 3.121 7.812 ( -0.181 0.000 -1.058) 1.073 7.847 ( -1.086 0.000 -0.025) 1.087 7.875 ( -3.186 0.000 -3.284) 4.575 7.963 ( 2.750 0.000 -1.275) 3.032 8.144 ( -1.818 0.000 0.879) 2.019 8.346 ( 0.607 0.000 1.280) 1.416 8.393 ( 2.371 0.000 -0.187) 2.378 8.490 ( -0.460 0.000 0.403) 0.612 8.554 ( -1.184 0.000 1.664) 2.043 8.574 ( -2.470 0.000 2.482) 3.501 8.672 ( 0.040 0.000 -0.904) 0.905 8.751 ( -2.958 0.000 -1.566) 3.347 8.799 ( -1.438 0.000 0.210) 1.454 8.854 ( 0.374 0.000 3.095) 3.117 8.950 ( -1.807 0.000 -4.070) 4.453 9.034 ( -0.682 0.000 -0.032) 0.683 9.066 ( -1.832 0.000 2.050) 2.749 9.117 ( -0.686 0.000 0.667) 0.957 9.194 ( 1.411 0.000 -1.243) 1.880 9.231 ( -0.242 0.000 0.294) 0.380 9.293 ( 0.919 0.000 1.305) 1.597 9.336 ( 1.831 0.000 4.606) 4.957 9.411 ( 2.339 0.000 0.764) 2.460 9.511 ( 4.698 0.000 0.137) 4.700 9.605 ( 3.008 0.000 2.191) 3.721 9.618 ( 1.059 0.000 -0.948) 1.421 9.695 ( -3.026 0.000 -4.403) 5.342 9.730 ( -0.973 0.000 -4.170) 4.282 9.760 ( 3.155 0.000 0.680) 3.228 9.832 ( 1.451 0.000 -0.124) 1.456 9.855 ( 2.034 0.000 -1.728) 2.669 9.912 ( 2.306 0.000 -0.838) 2.453 9.959 ( 0.322 0.000 1.815) 1.843 10.044 ( 0.543 0.000 -1.627) 1.715 10.080 ( -3.700 0.000 -2.715) 4.589 10.137 ( -0.393 0.000 2.730) 2.758 10.153 ( -1.654 0.000 -0.978) 1.921 10.206 ( -0.749 0.000 -0.273) 0.798 10.292 ( 3.909 0.000 -0.088) 3.910 10.301 ( -0.607 0.000 1.532) 1.648 10.435 ( 0.573 0.000 2.532) 2.597 10.511 ( -3.251 0.000 -0.307) 3.265 10.608 ( 2.965 0.000 -7.051) 7.649 10.656 ( -2.699 0.000 -0.596) 2.764 10.714 ( -6.072 0.000 0.016) 6.072 10.775 ( -4.233 0.000 0.033) 4.234 10.814 ( -3.177 0.000 -2.284) 3.912 11.006 ( 2.636 0.000 3.994) 4.785 11.081 ( 1.700 0.000 3.085) 3.523 11.142 ( -2.255 0.000 -0.177) 2.262 11.202 ( 2.591 0.000 1.382) 2.937 11.288 ( -3.326 0.000 2.458) 4.135 11.331 ( -5.955 0.000 8.192) 10.127 11.426 ( -1.188 0.000 0.346) 1.237 11.440 ( 0.125 0.000 -0.456) 0.473 11.659 ( 1.910 0.000 -1.246) 2.281 11.708 ( 0.155 0.000 -0.235) 0.281 11.737 ( 1.469 0.000 -0.537) 1.564 11.805 ( 0.438 0.000 -0.999) 1.091 11.927 ( -0.024 0.000 0.440) 0.440 11.942 ( 5.929 0.000 3.576) 6.924 12.045 ( 1.148 0.000 -0.791) 1.394 12.123 ( 0.887 0.000 1.946) 2.139 12.256 ( -1.871 0.000 -1.378) 2.324 12.295 ( -5.746 0.000 -2.870) 6.423 12.367 ( 7.188 0.000 -1.672) 7.380 12.454 ( -7.292 0.000 -2.336) 7.657 12.663 ( -4.657 0.000 7.408) 8.750 12.744 ( -4.420 0.000 3.715) 5.774 12.876 ( -4.753 0.000 -2.742) 5.487 13.109 ( -6.323 0.000 -1.562) 6.513 13.260 ( -10.829 0.000 1.352) 10.913 13.323 ( -5.633 0.000 -2.025) 5.986 13.507 ( -6.788 0.000 2.336) 7.179 13.667 ( -5.272 0.000 -5.855) 7.879 13.769 ( 14.313 0.000 2.675) 14.560 14.383 ( 2.066 0.000 -7.512) 7.791 14.572 ( 13.106 0.000 6.926) 14.824 14.949 ( -0.975 0.000 17.616) 17.643 15.646 ( 12.457 0.000 -8.214) 14.921 15.779 ( 0.122 0.000 -2.170) 2.173 16.056 ( 3.937 0.000 -3.440) 5.228 16.144 ( 2.270 0.000 -3.192) 3.916 16.196 ( 1.973 0.000 -3.264) 3.814 16.262 ( 4.863 0.000 -8.270) 9.594 16.446 ( -1.655 0.000 1.811) 2.453 16.527 ( -2.630 0.000 -1.933) 3.264 ======================= Grid point 38 (16/36) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 9.445 0.000 1.666) 9.591 1.407 ( 2.972 0.000 1.089) 3.165 1.640 ( 9.512 0.000 -3.542) 10.151 1.668 ( 9.152 0.000 11.101) 14.388 1.917 ( -3.934 0.000 4.900) 6.284 1.974 ( 4.046 0.000 3.857) 5.589 2.043 ( -7.897 0.000 4.011) 8.857 2.050 ( -3.956 0.000 -0.155) 3.960 2.193 ( -1.069 0.000 -7.446) 7.522 2.237 ( -5.528 0.000 -2.479) 6.059 2.353 ( 7.291 0.000 -0.176) 7.293 2.428 ( 3.545 0.000 -5.796) 6.794 2.462 ( 0.385 0.000 -0.053) 0.389 2.536 ( -2.193 0.000 0.592) 2.272 2.608 ( 5.349 0.000 -4.802) 7.188 2.683 ( -1.851 0.000 -5.503) 5.806 2.795 ( 2.371 0.000 -4.447) 5.040 2.842 ( -0.159 0.000 -6.116) 6.118 2.955 ( 3.932 0.000 3.462) 5.239 2.985 ( 1.248 0.000 2.039) 2.391 3.026 ( 3.173 0.000 -1.332) 3.441 3.070 ( -1.365 0.000 -5.262) 5.436 3.178 ( 2.503 0.000 -1.241) 2.794 3.230 ( -0.423 0.000 -0.561) 0.703 3.308 ( 3.417 0.000 2.025) 3.972 3.333 ( 3.678 0.000 1.248) 3.884 3.407 ( 2.487 0.000 3.230) 4.076 3.423 ( 7.461 0.000 3.589) 8.279 3.469 ( 2.774 0.000 0.684) 2.857 3.539 ( 1.348 0.000 5.108) 5.283 3.590 ( 0.010 0.000 1.766) 1.766 3.613 ( -0.593 0.000 -0.906) 1.083 3.706 ( 5.104 0.000 -0.172) 5.107 3.793 ( 2.579 0.000 -0.647) 2.659 3.821 ( 0.840 0.000 3.657) 3.753 3.853 ( 2.425 0.000 -4.976) 5.535 3.938 ( -3.586 0.000 0.274) 3.597 3.951 ( -3.807 0.000 -2.240) 4.417 3.998 ( 1.994 0.000 1.294) 2.377 4.047 ( -1.615 0.000 0.531) 1.700 4.127 ( 5.368 0.000 2.747) 6.030 4.188 ( 2.710 0.000 1.271) 2.994 4.232 ( -2.275 0.000 -0.360) 2.303 4.264 ( -0.348 0.000 2.450) 2.475 4.353 ( 9.658 0.000 -0.754) 9.687 4.445 ( 5.724 0.000 -2.054) 6.081 4.455 ( 6.907 0.000 3.370) 7.685 4.514 ( -2.955 0.000 2.930) 4.161 4.522 ( -3.973 0.000 1.760) 4.345 4.598 ( 2.592 0.000 0.241) 2.603 4.696 ( -5.286 0.000 2.185) 5.720 4.755 ( -6.660 0.000 0.404) 6.672 4.807 ( 0.295 0.000 -2.483) 2.501 4.830 ( -2.932 0.000 -3.902) 4.881 4.868 ( 3.103 0.000 -0.196) 3.109 4.900 ( 0.975 0.000 -1.353) 1.668 4.927 ( -0.144 0.000 4.338) 4.341 5.017 ( -4.513 0.000 -2.112) 4.982 5.074 ( 0.725 0.000 1.251) 1.446 5.173 ( -5.371 0.000 -1.207) 5.505 5.226 ( -1.182 0.000 2.598) 2.854 5.286 ( -6.486 0.000 -0.428) 6.500 5.458 ( 0.482 0.000 -1.540) 1.614 5.497 ( -3.379 0.000 -1.587) 3.733 5.561 ( 1.184 0.000 1.620) 2.007 5.603 ( 0.059 0.000 2.151) 2.152 5.643 ( -2.855 0.000 3.747) 4.711 5.688 ( -4.433 0.000 4.038) 5.996 5.765 ( 1.785 0.000 0.973) 2.033 5.816 ( 2.120 0.000 -1.091) 2.385 5.892 ( -1.019 0.000 -1.968) 2.216 5.969 ( -3.516 0.000 -2.578) 4.359 6.168 ( 6.161 0.000 -3.825) 7.252 6.173 ( 4.697 0.000 0.969) 4.795 6.241 ( 0.154 0.000 0.585) 0.605 6.271 ( -3.987 0.000 -0.755) 4.058 6.311 ( 1.288 0.000 -0.775) 1.503 6.326 ( -0.075 0.000 -4.281) 4.281 6.461 ( 1.263 0.000 1.844) 2.235 6.484 ( 0.348 0.000 -3.174) 3.193 6.521 ( -4.860 0.000 0.831) 4.931 6.538 ( -4.919 0.000 -2.869) 5.695 6.672 ( -0.253 0.000 1.667) 1.686 6.725 ( -4.676 0.000 1.545) 4.925 6.853 ( 2.207 0.000 -2.437) 3.288 6.874 ( 0.137 0.000 -3.579) 3.581 7.067 ( 3.093 0.000 2.399) 3.914 7.123 ( -1.917 0.000 1.472) 2.417 7.312 ( 3.813 0.000 0.067) 3.814 7.374 ( -2.477 0.000 -0.538) 2.534 7.612 ( 0.993 0.000 1.463) 1.769 7.657 ( -2.663 0.000 2.195) 3.451 7.804 ( 0.747 0.000 -0.363) 0.831 7.808 ( -0.362 0.000 -1.064) 1.124 7.827 ( -0.056 0.000 -1.656) 1.657 7.838 ( -0.737 0.000 -1.516) 1.686 8.015 ( 2.967 0.000 1.621) 3.380 8.079 ( -3.841 0.000 2.131) 4.392 8.368 ( 1.545 0.000 0.041) 1.546 8.408 ( -2.070 0.000 1.471) 2.539 8.503 ( 3.066 0.000 -0.242) 3.076 8.540 ( -0.020 0.000 -0.234) 0.235 8.561 ( 0.162 0.000 0.571) 0.593 8.599 ( -4.829 0.000 -1.811) 5.157 8.761 ( 1.679 0.000 -0.341) 1.713 8.790 ( -1.266 0.000 -1.227) 1.763 8.865 ( 2.505 0.000 2.519) 3.553 8.921 ( -2.186 0.000 0.377) 2.218 9.036 ( 0.248 0.000 0.873) 0.907 9.038 ( -0.578 0.000 1.004) 1.158 9.122 ( 1.668 0.000 0.368) 1.708 9.175 ( -3.073 0.000 0.127) 3.076 9.248 ( 1.719 0.000 1.942) 2.594 9.276 ( -1.345 0.000 3.227) 3.496 9.397 ( 2.844 0.000 -1.346) 3.146 9.426 ( -0.496 0.000 -2.091) 2.149 9.597 ( 3.192 0.000 -2.276) 3.920 9.617 ( -0.368 0.000 -0.838) 0.915 9.651 ( -0.283 0.000 -2.120) 2.139 9.687 ( -1.129 0.000 -2.380) 2.634 9.705 ( 3.911 0.000 -1.730) 4.276 9.784 ( -1.858 0.000 -0.593) 1.950 9.860 ( 2.048 0.000 0.138) 2.053 9.883 ( 0.418 0.000 2.133) 2.174 9.948 ( 1.499 0.000 -1.450) 2.085 9.981 ( 0.210 0.000 -0.004) 0.210 10.016 ( 0.559 0.000 -0.062) 0.562 10.085 ( -3.341 0.000 -0.275) 3.352 10.111 ( 3.595 0.000 -0.471) 3.625 10.144 ( 0.300 0.000 2.692) 2.709 10.180 ( -1.093 0.000 2.684) 2.897 10.230 ( -4.750 0.000 0.151) 4.752 10.378 ( 2.970 0.000 0.608) 3.031 10.423 ( -1.758 0.000 0.652) 1.875 10.483 ( 0.625 0.000 -2.686) 2.758 10.545 ( -6.601 0.000 -1.609) 6.794 10.636 ( -0.610 0.000 -0.279) 0.671 10.643 ( -0.651 0.000 -0.606) 0.889 10.742 ( 1.265 0.000 -3.722) 3.931 10.779 ( -1.711 0.000 -3.756) 4.128 11.047 ( 2.111 0.000 2.893) 3.581 11.094 ( -2.643 0.000 1.135) 2.876 11.132 ( 3.236 0.000 5.196) 6.121 11.200 ( -3.449 0.000 5.575) 6.555 11.261 ( 0.743 0.000 -0.220) 0.775 11.279 ( -0.535 0.000 1.899) 1.973 11.409 ( 0.025 0.000 0.758) 0.758 11.427 ( -1.309 0.000 1.483) 1.979 11.716 ( 1.820 0.000 -1.168) 2.163 11.720 ( 1.491 0.000 -0.955) 1.770 11.750 ( 1.356 0.000 1.172) 1.792 11.806 ( -1.977 0.000 -1.741) 2.634 11.952 ( 3.468 0.000 -0.392) 3.490 12.012 ( -0.739 0.000 -0.378) 0.830 12.081 ( 3.946 0.000 1.119) 4.102 12.151 ( 0.952 0.000 1.721) 1.967 12.183 ( -4.090 0.000 -3.067) 5.112 12.217 ( -2.848 0.000 -1.482) 3.210 12.396 ( 1.395 0.000 1.874) 2.336 12.452 ( -0.875 0.000 0.517) 1.016 12.580 ( 0.194 0.000 5.226) 5.230 12.654 ( -5.259 0.000 1.556) 5.484 12.880 ( 4.085 0.000 -2.244) 4.661 12.987 ( -6.602 0.000 -2.050) 6.914 13.113 ( -2.318 0.000 3.736) 4.396 13.180 ( -7.905 0.000 5.277) 9.505 13.476 ( 2.692 0.000 -4.811) 5.513 13.560 ( -5.600 0.000 -3.827) 6.783 14.072 ( 15.619 0.000 -4.316) 16.205 14.311 ( -8.976 0.000 -8.096) 12.088 14.789 ( 8.991 0.000 9.503) 13.082 14.907 ( -3.845 0.000 14.646) 15.142 15.775 ( 2.304 0.000 -4.750) 5.279 15.785 ( 0.361 0.000 -3.111) 3.132 16.162 ( 4.284 0.000 -5.336) 6.843 16.178 ( 1.319 0.000 -2.977) 3.256 16.224 ( 3.023 0.000 -1.119) 3.223 16.297 ( -1.683 0.000 -6.333) 6.552 16.431 ( 0.777 0.000 1.861) 2.016 16.473 ( -3.083 0.000 0.584) 3.138 ======================= Grid point 42 (17/36) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 0.000 15.333 17.427) 23.212 0.726 ( 0.000 17.580 15.582) 23.492 1.327 ( 0.000 25.529 27.315) 37.388 1.456 ( 0.000 6.398 -7.040) 9.513 1.626 ( 0.000 0.656 -7.167) 7.197 1.709 ( 0.000 2.972 -2.100) 3.639 1.785 ( 0.000 -3.739 0.280) 3.749 1.891 ( 0.000 3.982 0.537) 4.018 1.999 ( 0.000 -3.477 -4.136) 5.404 2.074 ( 0.000 0.103 -0.158) 0.189 2.123 ( 0.000 -5.013 -4.197) 6.539 2.224 ( 0.000 -5.785 4.720) 7.466 2.296 ( 0.000 -10.876 -6.392) 12.615 2.388 ( 0.000 0.954 2.985) 3.134 2.562 ( 0.000 -2.629 -2.236) 3.451 2.565 ( 0.000 -11.429 7.123) 13.467 2.639 ( 0.000 0.912 -1.464) 1.725 2.771 ( 0.000 2.395 2.751) 3.648 2.817 ( 0.000 4.021 -4.637) 6.137 2.848 ( 0.000 -4.640 -4.639) 6.562 2.880 ( 0.000 2.863 -1.708) 3.334 2.969 ( 0.000 -2.995 -0.150) 2.999 3.021 ( 0.000 1.517 -5.237) 5.452 3.088 ( 0.000 4.398 -3.285) 5.489 3.141 ( 0.000 0.816 1.320) 1.552 3.287 ( 0.000 -2.114 -0.068) 2.115 3.351 ( 0.000 -5.818 4.837) 7.566 3.368 ( 0.000 -4.864 7.218) 8.704 3.393 ( 0.000 -1.515 2.348) 2.794 3.407 ( 0.000 1.487 1.684) 2.247 3.473 ( 0.000 -1.696 1.016) 1.977 3.565 ( 0.000 -2.687 0.311) 2.705 3.608 ( 0.000 -5.093 3.842) 6.380 3.623 ( 0.000 -4.483 2.514) 5.140 3.766 ( 0.000 0.393 -3.922) 3.941 3.858 ( 0.000 -0.271 0.500) 0.568 3.904 ( 0.000 2.697 -2.318) 3.556 3.927 ( 0.000 1.404 -1.327) 1.932 3.952 ( 0.000 0.851 -1.165) 1.443 3.971 ( 0.000 0.240 2.157) 2.170 4.027 ( 0.000 -2.669 1.848) 3.246 4.121 ( 0.000 8.166 -0.015) 8.166 4.163 ( 0.000 0.673 0.759) 1.015 4.212 ( 0.000 -1.373 -1.152) 1.792 4.293 ( 0.000 1.919 -1.587) 2.490 4.311 ( 0.000 3.577 -2.729) 4.500 4.397 ( 0.000 -0.364 -0.202) 0.417 4.453 ( 0.000 -1.120 4.738) 4.869 4.494 ( 0.000 -2.154 1.398) 2.568 4.524 ( 0.000 0.312 1.162) 1.203 4.664 ( 0.000 1.504 -0.347) 1.543 4.694 ( 0.000 -2.676 -1.134) 2.906 4.772 ( 0.000 -7.487 9.123) 11.802 4.932 ( 0.000 0.648 -3.203) 3.268 4.972 ( 0.000 -3.312 0.654) 3.376 5.011 ( 0.000 -3.220 2.428) 4.033 5.033 ( 0.000 0.956 1.954) 2.176 5.045 ( 0.000 -3.359 1.112) 3.538 5.142 ( 0.000 3.611 -0.348) 3.628 5.310 ( 0.000 -0.154 -2.150) 2.155 5.354 ( 0.000 1.936 -1.644) 2.540 5.445 ( 0.000 0.091 -3.752) 3.753 5.476 ( 0.000 0.223 -2.194) 2.205 5.558 ( 0.000 4.286 -7.944) 9.027 5.590 ( 0.000 -2.221 -2.487) 3.335 5.699 ( 0.000 2.711 -3.061) 4.089 5.714 ( 0.000 -3.496 -0.760) 3.578 5.788 ( 0.000 1.487 0.375) 1.534 5.820 ( 0.000 -3.452 1.131) 3.633 5.921 ( 0.000 0.754 -2.314) 2.434 6.045 ( 0.000 2.695 1.343) 3.011 6.073 ( 0.000 1.730 -2.375) 2.938 6.116 ( 0.000 2.294 -2.308) 3.254 6.214 ( 0.000 -0.963 4.678) 4.776 6.237 ( 0.000 -0.831 -0.164) 0.847 6.295 ( 0.000 5.353 2.365) 5.852 6.407 ( 0.000 0.581 -3.376) 3.425 6.435 ( 0.000 0.997 1.501) 1.802 6.459 ( 0.000 1.815 -1.131) 2.138 6.537 ( 0.000 9.224 -6.755) 11.433 6.685 ( 0.000 -4.148 0.407) 4.168 6.727 ( 0.000 -1.846 3.015) 3.535 6.795 ( 0.000 -2.133 -3.422) 4.032 6.828 ( 0.000 2.049 -1.933) 2.817 6.853 ( 0.000 -3.085 0.786) 3.183 6.899 ( 0.000 0.622 -0.073) 0.626 6.970 ( 0.000 2.644 -0.408) 2.675 7.144 ( 0.000 0.656 0.595) 0.885 7.226 ( 0.000 6.325 4.162) 7.572 7.459 ( 0.000 2.432 0.303) 2.451 7.596 ( 0.000 0.338 -0.105) 0.354 7.712 ( 0.000 2.817 -3.686) 4.639 7.754 ( 0.000 2.765 -1.370) 3.086 7.822 ( 0.000 -2.705 -0.554) 2.761 7.860 ( 0.000 2.290 0.035) 2.290 7.925 ( 0.000 1.936 -0.869) 2.122 7.941 ( 0.000 -1.688 -1.383) 2.182 8.001 ( 0.000 0.942 -0.073) 0.945 8.301 ( 0.000 -3.676 -1.166) 3.856 8.366 ( 0.000 -5.899 -3.933) 7.089 8.454 ( 0.000 -2.056 -0.361) 2.087 8.599 ( 0.000 -5.802 3.922) 7.003 8.660 ( 0.000 -4.924 4.028) 6.362 8.698 ( 0.000 1.914 -0.594) 2.004 8.749 ( 0.000 -1.484 3.640) 3.931 8.855 ( 0.000 -0.257 -2.931) 2.942 8.939 ( 0.000 2.094 -0.992) 2.317 8.971 ( 0.000 1.267 2.741) 3.020 9.101 ( 0.000 -0.575 1.880) 1.966 9.112 ( 0.000 -1.398 -0.941) 1.685 9.141 ( 0.000 1.459 -0.563) 1.563 9.199 ( 0.000 1.227 0.986) 1.574 9.205 ( 0.000 -0.215 -0.378) 0.435 9.257 ( 0.000 0.567 0.590) 0.819 9.285 ( 0.000 -1.166 7.292) 7.385 9.373 ( 0.000 -0.422 6.147) 6.162 9.378 ( 0.000 2.285 3.536) 4.210 9.424 ( 0.000 -0.263 5.220) 5.226 9.563 ( 0.000 0.027 -1.571) 1.572 9.614 ( 0.000 -2.153 0.395) 2.189 9.667 ( 0.000 -2.594 1.619) 3.058 9.745 ( 0.000 -1.999 -1.944) 2.788 9.792 ( 0.000 -1.702 -2.532) 3.051 9.809 ( 0.000 -2.237 0.575) 2.309 9.871 ( 0.000 2.402 -3.484) 4.232 9.957 ( 0.000 3.099 -1.020) 3.263 10.036 ( 0.000 -1.295 0.310) 1.331 10.086 ( 0.000 2.234 -5.312) 5.762 10.143 ( 0.000 -0.198 0.920) 0.941 10.161 ( 0.000 1.510 -2.325) 2.772 10.230 ( 0.000 0.307 -2.399) 2.419 10.232 ( 0.000 1.366 -3.664) 3.910 10.333 ( 0.000 -1.759 3.879) 4.259 10.371 ( 0.000 -0.179 2.511) 2.517 10.562 ( 0.000 1.161 2.760) 2.994 10.615 ( 0.000 -2.211 -2.169) 3.097 10.711 ( 0.000 -1.500 -0.776) 1.689 10.747 ( 0.000 -1.926 3.018) 3.581 10.883 ( 0.000 1.839 -1.637) 2.462 10.907 ( 0.000 -0.028 2.000) 2.000 10.971 ( 0.000 1.732 0.832) 1.921 11.086 ( 0.000 2.016 -1.338) 2.420 11.111 ( 0.000 -3.674 -0.570) 3.718 11.224 ( 0.000 0.447 1.627) 1.688 11.349 ( 0.000 -0.677 0.047) 0.679 11.360 ( 0.000 -7.793 6.394) 10.080 11.413 ( 0.000 2.159 1.316) 2.528 11.573 ( 0.000 5.656 -1.594) 5.877 11.673 ( 0.000 -3.206 -1.241) 3.437 11.721 ( 0.000 0.813 0.533) 0.972 11.765 ( 0.000 -1.614 0.765) 1.786 11.798 ( 0.000 2.391 3.770) 4.464 11.866 ( 0.000 2.361 -1.834) 2.989 11.963 ( 0.000 2.541 1.135) 2.783 12.061 ( 0.000 3.058 -1.356) 3.345 12.136 ( 0.000 -1.092 0.223) 1.114 12.316 ( 0.000 2.911 -3.723) 4.726 12.399 ( 0.000 -1.138 -3.224) 3.419 12.421 ( 0.000 2.953 -2.739) 4.028 12.729 ( 0.000 4.188 -1.738) 4.535 12.770 ( 0.000 0.872 -2.349) 2.505 12.904 ( 0.000 -1.667 4.470) 4.771 12.997 ( 0.000 -11.215 -0.466) 11.225 13.269 ( 0.000 -0.753 -1.212) 1.427 13.462 ( 0.000 0.765 -3.731) 3.809 13.613 ( 0.000 -3.907 -0.603) 3.953 13.654 ( 0.000 4.650 -1.928) 5.034 13.706 ( 0.000 5.567 2.634) 6.159 13.884 ( 0.000 -3.960 -0.125) 3.962 14.056 ( 0.000 1.541 5.089) 5.317 14.338 ( 0.000 5.628 8.747) 10.401 14.816 ( 0.000 -1.220 5.341) 5.479 15.193 ( 0.000 9.684 -13.281) 16.437 15.626 ( 0.000 -3.175 -6.851) 7.551 15.814 ( 0.000 3.257 -2.440) 4.070 16.015 ( 0.000 -3.041 -2.129) 3.712 16.149 ( 0.000 2.553 -1.359) 2.892 16.198 ( 0.000 1.501 -1.310) 1.992 16.453 ( 0.000 -1.565 1.730) 2.333 16.526 ( 0.000 -7.297 3.282) 8.001 ======================= Grid point 43 (18/36) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 13.033 7.972 14.276) 20.909 0.958 ( 18.003 16.236 13.218) 27.612 1.461 ( 5.973 6.613 -4.363) 9.922 1.553 ( 12.287 7.656 10.218) 17.720 1.668 ( 4.603 4.797 3.787) 7.651 1.818 ( 10.491 4.865 -5.543) 12.824 1.909 ( 12.489 3.095 -0.986) 12.905 1.971 ( 6.182 0.592 -1.563) 6.404 2.040 ( 3.381 -1.531 -2.489) 4.469 2.078 ( 5.845 -2.520 -2.945) 7.013 2.174 ( 1.057 -4.768 -0.246) 4.890 2.234 ( 1.499 -6.284 -3.289) 7.249 2.322 ( 4.588 -6.599 1.191) 8.125 2.411 ( 2.113 1.798 3.325) 4.330 2.548 ( 0.314 -7.279 2.409) 7.673 2.597 ( 2.064 -2.410 4.333) 5.371 2.696 ( 4.508 -1.353 -1.551) 4.956 2.789 ( 0.988 1.929 0.791) 2.307 2.835 ( 0.518 -1.159 -4.717) 4.885 2.855 ( 3.453 2.589 -1.898) 4.715 2.947 ( 4.466 -1.083 -2.444) 5.205 2.999 ( -0.043 -0.067 0.081) 0.114 3.005 ( 2.490 -2.413 -4.376) 5.583 3.117 ( -0.756 0.409 1.897) 2.083 3.176 ( -1.195 0.819 0.220) 1.465 3.213 ( 4.124 0.044 -3.354) 5.316 3.328 ( -3.795 -2.520 1.955) 4.957 3.364 ( 2.319 -5.530 4.360) 7.414 3.405 ( 0.487 2.238 -0.044) 2.291 3.461 ( 1.708 -4.490 2.253) 5.306 3.491 ( 0.929 -2.750 0.775) 3.005 3.565 ( 2.432 -1.436 3.436) 4.448 3.586 ( -2.182 -0.047 0.176) 2.190 3.667 ( 5.020 -5.182 4.333) 8.416 3.759 ( -0.395 0.388 1.330) 1.441 3.844 ( -1.897 0.866 -2.711) 3.421 3.873 ( -1.176 -1.174 -1.264) 2.088 3.908 ( -0.911 3.677 2.216) 4.388 3.972 ( 1.553 -1.586 -1.726) 2.812 3.995 ( 1.563 1.176 -0.475) 2.013 4.065 ( 4.000 1.079 -0.937) 4.247 4.168 ( 2.709 2.135 0.151) 3.453 4.179 ( 0.724 0.685 0.699) 1.217 4.202 ( -0.436 1.414 -1.395) 2.034 4.270 ( -1.345 1.232 -0.050) 1.825 4.314 ( 0.058 0.807 -1.067) 1.339 4.394 ( -0.641 -1.636 -1.853) 2.553 4.443 ( -1.010 -0.042 2.006) 2.246 4.494 ( 1.939 -2.768 1.086) 3.550 4.560 ( 3.911 -2.424 0.351) 4.615 4.645 ( 0.102 -0.658 -1.089) 1.277 4.747 ( -0.102 -3.231 1.744) 3.674 4.775 ( 2.703 0.092 3.610) 4.511 4.913 ( -2.460 -1.359 0.471) 2.849 4.924 ( -2.966 2.418 -0.120) 3.829 4.985 ( -0.628 -2.267 0.605) 2.429 5.039 ( -0.016 -0.197 1.743) 1.754 5.096 ( 1.148 -2.023 1.817) 2.951 5.147 ( 0.181 1.674 0.955) 1.936 5.286 ( -1.209 0.101 -0.938) 1.533 5.350 ( -1.665 0.601 -2.592) 3.139 5.425 ( -1.599 -1.682 -3.067) 3.846 5.490 ( 0.978 1.626 -1.789) 2.608 5.541 ( -1.274 -0.226 -3.822) 4.035 5.599 ( 0.810 2.210 -2.811) 3.666 5.689 ( -1.088 4.318 -1.175) 4.605 5.706 ( -0.412 -1.323 -0.215) 1.402 5.787 ( 0.021 -0.225 0.009) 0.226 5.841 ( 0.093 -1.977 0.257) 1.996 5.915 ( -0.018 1.298 -3.090) 3.351 6.026 ( -3.610 6.835 2.623) 8.163 6.069 ( -0.332 2.685 -2.713) 3.831 6.109 ( -0.150 1.429 0.457) 1.508 6.177 ( -2.044 2.253 2.541) 3.964 6.218 ( -1.780 0.980 -0.837) 2.197 6.289 ( -1.935 -1.113 0.672) 2.332 6.353 ( -3.800 4.661 1.192) 6.131 6.383 ( -2.910 1.832 0.568) 3.485 6.417 ( -3.552 3.999 -3.343) 6.307 6.550 ( 1.506 -0.962 -1.169) 2.136 6.652 ( -3.410 -2.540 1.152) 4.405 6.691 ( -1.252 -2.024 1.909) 3.051 6.741 ( -2.355 -1.570 0.215) 2.839 6.838 ( -1.635 2.521 0.525) 3.050 6.854 ( -1.252 -1.413 0.417) 1.933 6.907 ( 0.156 -0.850 -0.197) 0.886 6.999 ( 2.797 0.633 -2.830) 4.029 7.096 ( -3.244 0.600 -0.360) 3.319 7.234 ( -0.026 3.096 3.342) 4.556 7.504 ( -1.553 -1.307 -1.655) 2.619 7.605 ( 1.861 1.126 -1.232) 2.500 7.701 ( 1.224 3.333 -2.292) 4.226 7.759 ( 0.033 1.999 -0.485) 2.058 7.825 ( 0.147 -1.348 -0.810) 1.580 7.854 ( -0.848 1.255 -0.520) 1.602 7.900 ( -0.317 0.120 -1.185) 1.232 7.927 ( -0.315 -0.449 -0.886) 1.042 8.095 ( 4.966 -0.290 -1.196) 5.116 8.281 ( -1.682 -5.461 -1.426) 5.889 8.370 ( 0.209 -4.057 -0.270) 4.072 8.470 ( 1.109 -0.084 -1.372) 1.766 8.567 ( -2.167 -3.047 3.631) 5.212 8.621 ( -1.339 -1.009 4.930) 5.207 8.702 ( -1.049 2.861 0.258) 3.058 8.759 ( 1.270 -1.819 0.296) 2.239 8.840 ( 0.219 1.620 -1.444) 2.182 8.895 ( -3.381 1.269 -1.133) 3.785 8.982 ( -1.603 -0.188 0.534) 1.700 9.069 ( -2.734 -1.393 -0.737) 3.155 9.095 ( -1.490 -0.360 -0.182) 1.543 9.143 ( -1.056 0.902 0.283) 1.418 9.185 ( 0.203 0.746 -1.721) 1.887 9.195 ( 0.428 -0.373 0.978) 1.131 9.245 ( 1.182 -1.318 3.912) 4.294 9.323 ( 1.056 -0.043 3.379) 3.541 9.382 ( 1.040 1.679 3.738) 4.228 9.432 ( 2.999 0.878 3.170) 4.451 9.510 ( 6.320 -4.083 4.461) 8.747 9.573 ( 1.515 -0.324 -0.627) 1.671 9.631 ( 1.887 -2.333 -0.616) 3.063 9.687 ( 1.659 -3.356 0.327) 3.758 9.757 ( -1.267 -2.464 -0.568) 2.828 9.771 ( 1.823 -1.690 -1.706) 3.015 9.853 ( -0.270 1.987 -1.273) 2.375 9.871 ( 3.126 0.208 -3.592) 4.766 9.974 ( 0.527 1.562 -0.431) 1.704 10.044 ( 0.438 -0.913 -0.052) 1.014 10.100 ( 0.595 1.606 -3.892) 4.252 10.131 ( 0.254 -1.117 -0.721) 1.353 10.164 ( -1.542 -0.909 -3.865) 4.260 10.197 ( -0.889 1.031 0.048) 1.362 10.261 ( 1.681 2.154 -2.452) 3.671 10.330 ( 0.270 -1.734 3.497) 3.912 10.368 ( -0.720 -1.348 3.604) 3.914 10.563 ( 0.317 1.118 1.039) 1.559 10.582 ( -3.191 -1.753 -1.929) 4.120 10.700 ( -1.154 -0.960 -1.010) 1.809 10.745 ( -0.261 -1.748 1.491) 2.313 10.865 ( -2.548 0.341 -0.697) 2.663 10.889 ( -2.182 0.504 1.557) 2.728 10.976 ( 0.972 2.051 1.346) 2.639 11.095 ( -0.497 -0.232 -0.872) 1.030 11.102 ( 0.856 0.536 -0.550) 1.150 11.207 ( -0.884 1.295 1.994) 2.537 11.330 ( -2.071 -5.195 6.081) 8.262 11.369 ( 0.936 -1.818 2.735) 3.415 11.431 ( 0.920 1.792 -1.244) 2.368 11.519 ( -5.414 4.225 -0.631) 6.896 11.671 ( 0.846 -0.796 -1.467) 1.871 11.726 ( 0.087 2.366 0.740) 2.481 11.743 ( -1.622 -1.235 0.737) 2.168 11.811 ( 1.143 1.747 2.886) 3.562 11.855 ( 0.002 1.402 -0.936) 1.685 11.974 ( 1.249 2.542 1.526) 3.217 12.072 ( 0.859 3.351 -0.557) 3.504 12.182 ( 3.537 -1.962 -0.447) 4.069 12.294 ( -1.871 3.892 -2.514) 4.997 12.334 ( -1.963 2.729 -1.802) 3.815 12.457 ( -2.761 6.537 -1.172) 7.192 12.598 ( -9.056 1.912 -1.069) 9.317 12.691 ( -6.526 -0.251 2.941) 7.162 12.826 ( -7.719 -4.152 0.831) 8.804 12.945 ( 0.481 -2.506 3.342) 4.205 13.301 ( 2.392 -2.268 -3.645) 4.915 13.371 ( -11.750 0.854 -1.579) 11.886 13.459 ( -10.374 3.552 -2.915) 11.346 13.493 ( -6.146 -1.270 -0.601) 6.305 13.763 ( 1.970 6.411 4.133) 7.878 13.848 ( -13.399 -0.001 0.966) 13.434 14.120 ( 16.356 -5.539 1.326) 17.319 14.429 ( 6.248 4.302 3.326) 8.282 14.864 ( 1.953 -6.571 11.024) 12.982 15.408 ( 17.199 6.723 -10.969) 21.478 15.768 ( 2.985 -1.595 -2.983) 4.511 15.914 ( 13.244 -2.827 -11.348) 17.669 16.005 ( -0.453 -3.570 -2.575) 4.425 16.173 ( 2.455 2.135 -2.701) 4.229 16.214 ( 1.764 1.503 -1.475) 2.747 16.450 ( -0.514 -1.756 1.803) 2.569 16.511 ( -1.113 -5.241 1.978) 5.711 ======================= Grid point 44 (19/36) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 17.621 1.712 6.714) 18.934 1.263 ( 13.929 12.524 12.087) 22.293 1.549 ( 4.369 1.594 -4.405) 6.406 1.611 ( 2.049 2.094 2.827) 4.072 1.902 ( 4.405 3.396 -0.842) 5.625 1.959 ( 8.090 -0.167 -1.326) 8.199 2.005 ( 1.787 -4.073 -3.521) 5.673 2.073 ( 0.147 4.220 0.392) 4.241 2.178 ( 1.962 -2.421 0.182) 3.121 2.215 ( 9.045 -0.476 -4.604) 10.160 2.308 ( 6.164 -4.373 -3.613) 8.377 2.355 ( 9.047 -0.047 -0.975) 9.099 2.379 ( 9.596 4.565 2.629) 10.947 2.458 ( -1.194 -2.081 3.905) 4.584 2.576 ( 4.910 -1.631 0.076) 5.175 2.641 ( 1.039 2.786 0.967) 3.127 2.760 ( 5.329 -4.494 1.898) 7.225 2.801 ( -1.342 -0.154 1.531) 2.042 2.864 ( 1.713 -2.869 -4.413) 5.535 2.908 ( 3.372 -1.285 3.048) 4.724 2.991 ( 1.568 2.324 -2.117) 3.513 3.031 ( 3.918 -1.045 -2.056) 4.546 3.083 ( 4.244 -1.185 0.279) 4.415 3.113 ( 2.748 -3.453 -0.947) 4.514 3.193 ( 0.416 -1.551 -0.285) 1.631 3.259 ( 2.442 0.099 -1.731) 2.995 3.331 ( 2.962 -4.215 -0.545) 5.181 3.379 ( -0.286 2.154 -1.110) 2.440 3.444 ( 3.038 -6.769 0.992) 7.486 3.489 ( 2.238 0.106 3.354) 4.034 3.532 ( 3.341 -0.229 2.428) 4.137 3.586 ( 1.109 0.810 1.845) 2.300 3.642 ( 5.714 -2.074 -0.239) 6.083 3.730 ( -1.487 1.975 -0.529) 2.528 3.762 ( 3.289 -2.598 3.540) 5.486 3.799 ( -2.845 0.495 -0.628) 2.955 3.893 ( 4.373 -0.779 -0.486) 4.468 3.937 ( 3.264 -1.976 0.546) 3.854 3.998 ( 1.056 0.453 0.859) 1.435 4.054 ( 1.819 -0.671 -1.667) 2.557 4.113 ( -0.626 -0.540 -0.514) 0.973 4.166 ( 4.532 0.683 1.945) 4.979 4.203 ( 1.238 0.388 -1.153) 1.736 4.242 ( 3.166 -0.172 0.605) 3.228 4.265 ( 1.148 0.518 -5.201) 5.351 4.330 ( 0.826 1.732 0.096) 1.921 4.393 ( 2.167 0.466 0.887) 2.388 4.427 ( -0.198 -0.143 -0.748) 0.787 4.557 ( 3.068 -1.288 -1.527) 3.662 4.643 ( 1.724 -3.778 0.154) 4.156 4.666 ( 1.834 -3.050 1.297) 3.788 4.727 ( 0.173 -2.580 -0.562) 2.646 4.804 ( 1.359 3.861 1.332) 4.304 4.851 ( -1.931 -0.513 2.123) 2.915 4.934 ( 1.092 3.808 -0.126) 3.963 4.955 ( -1.808 1.236 3.097) 3.793 5.017 ( -2.852 1.471 -0.067) 3.210 5.078 ( -1.819 -0.560 2.389) 3.054 5.139 ( -0.902 1.299 1.749) 2.358 5.248 ( -4.612 0.189 -1.550) 4.869 5.288 ( -3.952 1.031 -1.549) 4.368 5.411 ( -1.421 -0.745 0.054) 1.605 5.447 ( -4.201 -2.925 -0.473) 5.141 5.525 ( -1.245 -0.726 -1.015) 1.763 5.600 ( -1.034 1.563 -1.829) 2.619 5.658 ( -4.204 4.951 -0.817) 6.546 5.709 ( -0.112 -1.169 0.704) 1.369 5.765 ( -2.123 1.366 1.220) 2.804 5.797 ( -2.042 2.809 2.138) 4.078 5.899 ( -4.562 7.383 0.823) 8.718 5.946 ( -1.683 1.418 -1.583) 2.711 6.056 ( -1.603 3.808 -2.621) 4.893 6.093 ( -2.341 0.486 -1.927) 3.071 6.141 ( -1.080 -0.153 1.271) 1.675 6.209 ( 3.334 0.370 -0.063) 3.355 6.271 ( 1.679 0.382 -0.381) 1.764 6.311 ( -1.521 0.695 0.471) 1.738 6.340 ( -0.538 1.438 0.419) 1.592 6.402 ( 0.614 -1.569 -2.031) 2.639 6.539 ( -2.455 0.155 -0.236) 2.471 6.588 ( -4.220 -2.696 -0.785) 5.069 6.642 ( -4.091 -0.084 1.924) 4.522 6.708 ( -2.332 -1.002 -0.034) 2.538 6.775 ( -3.350 0.164 0.254) 3.363 6.850 ( 0.400 0.056 0.750) 0.852 6.920 ( 1.121 4.353 -3.254) 5.549 7.002 ( -0.131 -3.088 2.347) 3.881 7.094 ( 1.180 -0.810 -3.339) 3.633 7.241 ( 1.304 -0.288 2.240) 2.608 7.417 ( -4.990 -1.720 -0.960) 5.365 7.625 ( 0.247 1.160 0.182) 1.200 7.721 ( -1.771 2.454 1.973) 3.612 7.780 ( 2.740 1.488 -1.435) 3.432 7.827 ( 0.116 0.277 -1.449) 1.480 7.839 ( -0.819 0.858 -0.212) 1.205 7.873 ( -1.195 0.021 -1.753) 2.122 7.957 ( 2.222 -0.677 -0.134) 2.327 8.117 ( -2.259 -2.825 0.126) 3.619 8.286 ( 2.419 -3.849 -0.493) 4.572 8.368 ( -0.386 -3.275 -1.061) 3.464 8.475 ( -0.771 -0.909 0.904) 1.496 8.536 ( -1.047 -1.205 1.773) 2.386 8.618 ( -0.400 2.271 -0.230) 2.317 8.686 ( -0.963 1.321 -0.492) 1.707 8.768 ( -0.078 2.375 -0.036) 2.376 8.827 ( -0.277 2.356 1.243) 2.678 8.859 ( -0.974 0.696 1.009) 1.566 8.951 ( -1.090 -0.063 -1.874) 2.169 9.011 ( -1.954 -0.659 -0.503) 2.123 9.082 ( -0.221 -1.077 0.445) 1.186 9.119 ( -0.783 1.512 1.374) 2.188 9.190 ( -0.430 -0.916 -1.170) 1.547 9.228 ( 1.988 -0.562 -0.263) 2.082 9.269 ( 0.111 -2.378 3.848) 4.525 9.331 ( 1.445 -0.417 1.593) 2.191 9.413 ( 1.761 1.252 1.375) 2.562 9.491 ( 3.193 -0.668 1.203) 3.476 9.579 ( 2.636 -1.773 0.816) 3.280 9.632 ( 3.446 -0.908 0.938) 3.685 9.661 ( -0.003 -2.281 -1.054) 2.512 9.696 ( -0.565 -2.299 -1.720) 2.926 9.755 ( 2.102 -0.860 0.134) 2.275 9.816 ( 2.237 -1.130 -1.440) 2.890 9.872 ( 2.230 0.894 -1.162) 2.669 9.918 ( 1.963 0.065 -1.247) 2.327 9.970 ( -0.734 1.909 0.361) 2.077 10.036 ( -0.319 -0.336 -1.203) 1.289 10.074 ( -3.506 -0.452 -2.914) 4.582 10.116 ( -1.841 -2.755 -2.556) 4.185 10.149 ( 0.119 0.238 0.629) 0.683 10.192 ( -0.613 -0.921 2.268) 2.523 10.290 ( -1.326 -0.637 2.109) 2.572 10.336 ( 1.337 1.729 -0.512) 2.245 10.363 ( 1.630 -3.845 0.583) 4.217 10.508 ( -3.424 -0.290 -1.709) 3.838 10.584 ( 0.810 -1.310 0.295) 1.568 10.679 ( -0.588 0.468 -2.624) 2.730 10.712 ( -4.221 -0.385 -1.832) 4.618 10.807 ( -3.259 1.645 1.583) 3.979 10.816 ( -4.207 0.727 -1.335) 4.473 11.007 ( 1.658 0.656 2.970) 3.464 11.082 ( -0.966 -1.566 1.146) 2.167 11.117 ( 0.857 1.402 1.185) 2.026 11.214 ( 1.310 0.928 2.675) 3.120 11.300 ( -0.767 -0.668 5.855) 5.943 11.350 ( -3.604 1.881 1.214) 4.242 11.423 ( -0.683 0.721 0.103) 0.998 11.453 ( -0.802 1.412 -1.251) 2.049 11.694 ( 0.776 0.472 -1.059) 1.395 11.716 ( -0.035 0.730 -0.127) 0.742 11.747 ( 1.456 1.890 0.997) 2.586 11.828 ( 1.459 2.696 -0.560) 3.116 11.883 ( 1.930 -1.266 1.613) 2.816 12.014 ( 3.175 2.890 1.769) 4.643 12.086 ( -0.191 1.360 -0.129) 1.380 12.194 ( -1.390 3.743 -0.239) 4.000 12.259 ( -1.826 1.013 1.564) 2.609 12.329 ( -5.094 5.710 -1.171) 7.742 12.387 ( 4.796 2.481 -2.047) 5.775 12.480 ( -5.593 3.346 -0.479) 6.535 12.613 ( -3.188 -3.987 7.157) 8.791 12.721 ( -3.740 -1.083 -0.640) 3.946 12.886 ( -4.521 -1.087 -0.325) 4.661 13.137 ( -9.148 1.809 -2.139) 9.568 13.243 ( -9.832 -1.603 1.238) 10.039 13.335 ( -6.077 -0.015 1.232) 6.201 13.443 ( -2.397 -3.669 -2.783) 5.192 13.622 ( -4.106 -1.915 -5.541) 7.157 13.860 ( 6.803 6.017 2.986) 9.560 14.324 ( 3.247 -6.119 -4.455) 8.237 14.584 ( 10.678 1.705 1.576) 10.928 14.884 ( 0.370 -5.745 13.059) 14.272 15.698 ( 11.053 4.982 -6.137) 13.588 15.789 ( 0.777 1.307 -1.919) 2.448 16.011 ( 2.963 -4.211 -2.518) 5.731 16.095 ( 4.598 -4.129 -5.608) 8.345 16.218 ( 1.886 1.504 -1.450) 2.814 16.275 ( 4.039 0.679 -5.601) 6.938 16.434 ( -0.834 -0.983 1.648) 2.093 16.493 ( -1.019 -2.562 0.652) 2.833 ======================= Grid point 45 (20/36) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 9.532 0.875 -0.784) 9.604 1.433 ( 2.830 3.416 2.871) 5.284 1.657 ( 8.092 1.987 5.799) 10.151 1.708 ( 6.502 5.280 3.071) 8.921 1.920 ( -1.106 1.693 1.635) 2.601 1.984 ( -2.948 -1.192 0.503) 3.220 2.032 ( -0.466 -0.677 -0.596) 1.015 2.076 ( -0.897 0.845 1.908) 2.272 2.153 ( -1.802 -0.046 -0.900) 2.014 2.219 ( -7.456 -1.359 3.481) 8.340 2.377 ( 8.218 -2.175 -3.036) 9.027 2.422 ( 4.336 -0.145 -4.134) 5.993 2.453 ( 0.802 -2.945 -3.249) 4.458 2.546 ( -6.207 0.961 -1.070) 6.371 2.637 ( 5.118 4.247 -1.488) 6.815 2.667 ( 0.955 -0.039 -4.847) 4.940 2.760 ( 0.883 0.046 -2.879) 3.012 2.825 ( -2.822 -1.912 -4.964) 6.021 2.938 ( 4.555 -3.526 4.555) 7.343 2.978 ( 1.915 -2.486 2.292) 3.886 3.018 ( 1.465 -1.883 -0.616) 2.464 3.065 ( -1.611 -0.268 -2.948) 3.370 3.155 ( 4.484 -0.041 1.316) 4.673 3.207 ( 3.363 -1.588 -0.282) 3.730 3.256 ( 5.166 -2.967 1.986) 6.280 3.292 ( 0.568 -1.701 1.282) 2.204 3.379 ( 4.461 -0.600 -2.441) 5.120 3.433 ( 1.506 -1.071 -1.523) 2.395 3.488 ( 2.175 -4.076 2.679) 5.341 3.546 ( -1.550 -3.597 1.492) 4.191 3.572 ( 4.215 1.852 1.991) 5.016 3.600 ( 1.337 1.570 2.426) 3.183 3.696 ( 1.725 1.425 -1.364) 2.620 3.750 ( 1.136 -4.575 1.101) 4.841 3.774 ( 1.399 -2.086 2.017) 3.221 3.800 ( -0.339 -4.896 -0.595) 4.944 3.934 ( -0.224 -0.676 -2.018) 2.140 3.974 ( -2.909 -0.594 -1.692) 3.418 4.014 ( 3.352 1.124 -0.834) 3.632 4.073 ( 0.207 2.547 1.405) 2.916 4.136 ( 5.165 -1.187 0.285) 5.308 4.182 ( -0.120 0.662 0.706) 0.976 4.241 ( -3.075 -1.947 0.181) 3.644 4.256 ( -1.536 1.207 -0.460) 2.007 4.361 ( 5.110 -0.183 -0.488) 5.136 4.414 ( 3.815 -1.483 1.950) 4.534 4.455 ( 6.455 3.052 0.745) 7.179 4.482 ( 8.122 -0.263 0.155) 8.128 4.551 ( -4.970 1.565 0.767) 5.267 4.608 ( 4.431 1.010 -0.132) 4.547 4.689 ( -3.353 -0.804 -2.311) 4.151 4.768 ( -4.079 -1.820 -1.867) 4.841 4.830 ( 0.592 1.975 0.075) 2.063 4.854 ( -2.496 2.514 -2.084) 4.110 4.871 ( 1.213 2.082 2.230) 3.284 4.936 ( -4.589 2.507 2.865) 5.962 4.983 ( 3.003 2.157 1.331) 3.930 5.050 ( -1.086 0.542 0.931) 1.530 5.108 ( -1.165 5.684 1.058) 5.898 5.155 ( -2.331 -0.352 0.356) 2.384 5.230 ( -1.778 0.220 1.728) 2.489 5.297 ( -6.856 1.071 -0.592) 6.965 5.437 ( 1.600 -2.904 0.841) 3.420 5.518 ( -4.777 -2.329 -1.543) 5.533 5.528 ( -0.040 0.086 1.727) 1.730 5.581 ( -2.423 -0.510 1.854) 3.093 5.658 ( -3.049 1.562 2.522) 4.254 5.667 ( -4.652 -1.047 2.496) 5.382 5.837 ( 1.285 3.819 0.323) 4.043 5.864 ( -0.100 3.711 -1.524) 4.013 5.921 ( 1.590 3.974 -1.260) 4.462 5.992 ( -3.540 1.655 -1.921) 4.354 6.118 ( 3.999 -0.910 -0.124) 4.103 6.177 ( 0.603 -0.439 -1.295) 1.494 6.235 ( -1.292 -1.403 -0.989) 2.149 6.254 ( -0.310 -0.258 -1.400) 1.457 6.357 ( 3.908 3.736 -0.592) 5.439 6.371 ( 2.869 2.641 -1.281) 4.104 6.426 ( 1.861 -3.494 -0.917) 4.063 6.475 ( -3.708 -0.311 -0.602) 3.770 6.507 ( -2.910 -1.505 -0.836) 3.381 6.551 ( -5.284 1.201 0.594) 5.451 6.664 ( -0.385 0.168 0.563) 0.702 6.704 ( -3.884 -0.900 0.655) 4.040 6.888 ( 2.869 2.477 -2.316) 4.442 6.926 ( -0.745 4.088 -4.454) 6.092 7.033 ( 2.720 -2.979 1.625) 4.349 7.084 ( -2.178 -3.577 1.125) 4.336 7.288 ( 3.496 -2.283 -0.291) 4.186 7.350 ( -2.789 -2.494 -0.692) 3.805 7.626 ( 0.474 1.492 1.644) 2.270 7.662 ( -3.270 0.900 2.008) 3.942 7.811 ( 0.566 0.580 -0.379) 0.894 7.821 ( -0.498 0.915 -0.592) 1.198 7.847 ( 1.243 1.990 -0.809) 2.482 7.863 ( -0.351 1.849 -0.584) 1.970 8.001 ( 2.633 -1.278 1.163) 3.150 8.058 ( -3.348 -2.007 1.172) 4.076 8.331 ( 1.819 -4.067 -0.686) 4.508 8.357 ( -0.938 -4.237 -0.983) 4.449 8.469 ( 1.235 -0.534 0.096) 1.349 8.512 ( -2.115 -0.640 -0.694) 2.316 8.608 ( 0.300 1.393 -0.114) 1.429 8.643 ( -2.624 2.377 -0.331) 3.556 8.789 ( 1.193 2.433 0.559) 2.767 8.807 ( -1.297 2.116 0.221) 2.491 8.880 ( 2.631 1.380 1.888) 3.520 8.926 ( -1.988 0.922 0.277) 2.209 9.024 ( 2.911 0.263 -0.297) 2.937 9.081 ( -1.603 0.070 0.347) 1.641 9.106 ( 0.799 0.715 0.671) 1.265 9.156 ( -3.046 -1.861 0.499) 3.604 9.243 ( 0.498 -0.435 1.469) 1.611 9.259 ( -0.673 -1.173 1.618) 2.109 9.394 ( 3.711 -0.928 -0.739) 3.896 9.432 ( -0.158 0.426 -0.925) 1.030 9.552 ( 3.364 -2.351 -0.177) 4.108 9.604 ( -1.241 -2.540 -1.197) 3.070 9.645 ( 0.106 -0.421 -0.134) 0.454 9.663 ( -1.053 -1.357 -0.473) 1.782 9.720 ( 3.783 0.189 -0.860) 3.884 9.778 ( -1.206 -1.014 -1.161) 1.958 9.861 ( 2.815 0.583 -0.679) 2.954 9.901 ( -0.701 1.012 -0.489) 1.324 9.944 ( 1.024 0.658 0.336) 1.263 9.971 ( 0.919 -0.880 -0.707) 1.456 10.014 ( -0.225 -0.253 -0.235) 0.412 10.060 ( -0.428 -2.141 -0.407) 2.221 10.087 ( 0.825 -2.010 -0.199) 2.182 10.137 ( -1.394 -1.745 0.790) 2.369 10.170 ( -0.875 -0.753 2.484) 2.739 10.210 ( -4.757 -0.784 2.339) 5.358 10.378 ( 1.884 -0.187 -1.600) 2.478 10.401 ( 0.401 0.526 -1.696) 1.821 10.485 ( 2.062 -1.059 -2.282) 3.253 10.563 ( -4.320 -1.861 -1.685) 4.996 10.626 ( -0.774 2.199 0.074) 2.332 10.665 ( -2.789 1.462 -0.287) 3.162 10.750 ( 0.408 0.775 -3.485) 3.593 10.781 ( -1.752 -0.031 -2.101) 2.735 11.031 ( 1.214 -1.139 3.472) 3.851 11.058 ( -1.498 -2.360 2.795) 3.953 11.151 ( 2.669 1.790 3.987) 5.121 11.206 ( -2.567 0.702 5.191) 5.833 11.296 ( 0.485 1.822 0.979) 2.124 11.310 ( -0.679 2.662 0.322) 2.767 11.421 ( 0.455 1.225 0.565) 1.424 11.438 ( -1.050 1.191 0.408) 1.639 11.703 ( 0.584 -0.461 -0.724) 1.038 11.716 ( -0.504 -0.769 -0.341) 0.980 11.794 ( 3.424 3.270 0.278) 4.743 11.845 ( -1.105 2.586 -0.149) 2.816 11.938 ( 4.653 0.036 0.042) 4.653 12.033 ( -4.523 -0.399 -0.219) 4.546 12.090 ( 4.039 1.842 -0.082) 4.440 12.162 ( -3.186 2.471 -1.230) 4.216 12.240 ( 1.068 3.717 2.227) 4.463 12.274 ( -1.806 4.797 0.688) 5.172 12.402 ( 0.164 0.693 2.835) 2.923 12.455 ( -2.448 0.045 2.326) 3.377 12.572 ( 2.412 0.693 2.874) 3.816 12.654 ( -4.454 0.689 -0.975) 4.611 12.873 ( 3.512 -1.151 -2.141) 4.271 12.981 ( -7.486 -1.003 -3.045) 8.144 13.119 ( -1.479 0.747 3.546) 3.914 13.190 ( -7.793 0.599 5.477) 9.544 13.441 ( 3.562 -2.997 -3.074) 5.578 13.539 ( -5.811 -2.251 -3.682) 7.238 14.066 ( 12.730 -0.257 -4.748) 13.589 14.269 ( -7.832 -4.096 -8.036) 11.945 14.771 ( 7.906 -1.326 5.794) 9.891 14.868 ( -2.602 -3.411 10.378) 11.230 15.793 ( 1.483 1.707 -3.043) 3.792 15.806 ( 0.268 2.277 -3.226) 3.958 16.102 ( 4.465 -4.463 -3.671) 7.303 16.138 ( 0.353 -3.639 -3.324) 4.941 16.263 ( 3.314 2.499 -1.459) 4.400 16.313 ( -0.676 1.087 -4.013) 4.212 16.432 ( 0.875 0.132 1.831) 2.034 16.464 ( -2.048 -0.770 1.356) 2.575 ======================= Grid point 49 (21/36) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.000 22.171 3.696) 22.477 1.138 ( 0.000 22.564 -1.334) 22.603 1.435 ( 0.000 -13.803 -0.768) 13.824 1.495 ( 0.000 -9.630 -5.778) 11.231 1.726 ( 0.000 3.643 -3.163) 4.824 1.754 ( 0.000 4.713 -6.140) 7.740 1.804 ( 0.000 9.934 -0.168) 9.936 1.902 ( 0.000 -0.212 -4.424) 4.429 1.957 ( 0.000 -7.433 -3.449) 8.194 2.031 ( 0.000 -1.149 -1.758) 2.100 2.096 ( 0.000 -2.127 -8.635) 8.893 2.139 ( 0.000 1.164 4.000) 4.166 2.206 ( 0.000 -2.907 1.269) 3.172 2.280 ( 0.000 -12.078 5.187) 13.145 2.384 ( 0.000 6.176 4.593) 7.697 2.510 ( 0.000 -2.149 2.113) 3.014 2.726 ( 0.000 6.092 5.314) 8.084 2.827 ( 0.000 2.587 -3.465) 4.324 2.849 ( 0.000 3.891 2.187) 4.464 2.888 ( 0.000 1.828 2.639) 3.210 2.899 ( 0.000 -3.421 3.882) 5.174 2.978 ( 0.000 6.824 2.645) 7.318 3.045 ( 0.000 -3.468 6.753) 7.592 3.116 ( 0.000 -2.428 1.507) 2.858 3.152 ( 0.000 -6.324 6.043) 8.747 3.195 ( 0.000 0.677 0.248) 0.721 3.213 ( 0.000 -5.060 0.252) 5.066 3.282 ( 0.000 1.816 -0.446) 1.870 3.316 ( 0.000 -12.179 7.668) 14.392 3.371 ( 0.000 -4.593 2.890) 5.427 3.418 ( 0.000 0.328 3.803) 3.818 3.466 ( 0.000 -2.051 2.461) 3.204 3.589 ( 0.000 3.051 -2.373) 3.866 3.650 ( 0.000 -0.651 -1.240) 1.400 3.735 ( 0.000 2.625 -0.886) 2.771 3.840 ( 0.000 -6.260 1.723) 6.493 3.882 ( 0.000 1.495 -3.038) 3.386 3.917 ( 0.000 -1.490 -3.712) 4.000 3.984 ( 0.000 0.344 2.823) 2.844 3.995 ( 0.000 -0.673 2.517) 2.606 4.081 ( 0.000 8.337 0.307) 8.342 4.158 ( 0.000 -0.316 -2.527) 2.546 4.187 ( 0.000 -0.131 -0.366) 0.389 4.272 ( 0.000 -4.452 0.707) 4.507 4.317 ( 0.000 5.472 0.229) 5.477 4.372 ( 0.000 1.101 -2.225) 2.482 4.400 ( 0.000 3.618 -1.319) 3.851 4.435 ( 0.000 1.971 -1.826) 2.687 4.454 ( 0.000 -2.476 -1.321) 2.806 4.524 ( 0.000 -3.704 -1.183) 3.888 4.647 ( 0.000 3.862 -1.736) 4.234 4.709 ( 0.000 -0.640 1.926) 2.030 4.770 ( 0.000 4.383 -0.621) 4.427 4.861 ( 0.000 -5.346 -1.074) 5.453 4.917 ( 0.000 -1.979 3.399) 3.933 4.936 ( 0.000 -3.641 0.828) 3.734 5.045 ( 0.000 2.204 1.247) 2.533 5.088 ( 0.000 0.603 -2.418) 2.492 5.205 ( 0.000 2.000 -0.397) 2.039 5.244 ( 0.000 -2.336 0.234) 2.348 5.432 ( 0.000 2.861 -2.511) 3.807 5.456 ( 0.000 0.882 -5.079) 5.155 5.473 ( 0.000 0.314 -5.774) 5.782 5.521 ( 0.000 -3.934 -3.200) 5.071 5.617 ( 0.000 1.096 -2.583) 2.806 5.646 ( 0.000 -2.667 -0.268) 2.680 5.762 ( 0.000 -0.497 -1.899) 1.963 5.779 ( 0.000 -0.410 -2.974) 3.003 5.810 ( 0.000 5.405 -0.764) 5.459 5.910 ( 0.000 -3.050 -1.533) 3.414 6.077 ( 0.000 2.176 0.322) 2.199 6.115 ( 0.000 -1.116 -0.414) 1.190 6.163 ( 0.000 3.293 1.763) 3.735 6.194 ( 0.000 -0.065 4.323) 4.323 6.279 ( 0.000 3.791 -1.881) 4.232 6.332 ( 0.000 -0.917 0.616) 1.105 6.411 ( 0.000 0.093 -2.500) 2.502 6.433 ( 0.000 -1.751 -0.598) 1.850 6.488 ( 0.000 3.079 2.039) 3.693 6.563 ( 0.000 -3.767 1.341) 3.999 6.652 ( 0.000 0.428 2.983) 3.014 6.679 ( 0.000 -2.492 4.698) 5.318 6.758 ( 0.000 -0.603 -2.489) 2.561 6.783 ( 0.000 -2.854 -0.251) 2.865 6.876 ( 0.000 2.282 -0.006) 2.282 6.908 ( 0.000 -0.220 -0.256) 0.337 7.033 ( 0.000 3.731 1.428) 3.995 7.110 ( 0.000 -3.539 1.353) 3.788 7.368 ( 0.000 6.930 2.570) 7.392 7.470 ( 0.000 -2.602 1.190) 2.862 7.635 ( 0.000 2.994 -0.892) 3.124 7.694 ( 0.000 -3.220 0.655) 3.286 7.798 ( 0.000 1.156 0.825) 1.420 7.813 ( 0.000 0.637 -3.100) 3.165 7.902 ( 0.000 2.358 -2.586) 3.500 7.931 ( 0.000 0.335 -2.567) 2.589 7.977 ( 0.000 2.550 -1.792) 3.116 8.006 ( 0.000 -0.553 -1.291) 1.404 8.224 ( 0.000 -2.466 -4.304) 4.960 8.250 ( 0.000 -4.996 -5.637) 7.532 8.443 ( 0.000 1.405 -1.243) 1.876 8.498 ( 0.000 -4.019 0.539) 4.055 8.630 ( 0.000 0.848 5.638) 5.702 8.668 ( 0.000 -2.748 4.941) 5.653 8.820 ( 0.000 5.276 -0.203) 5.280 8.868 ( 0.000 0.441 -2.848) 2.882 8.949 ( 0.000 0.016 -2.115) 2.115 8.981 ( 0.000 -2.111 0.310) 2.134 9.070 ( 0.000 0.351 2.379) 2.404 9.098 ( 0.000 -1.392 1.352) 1.941 9.168 ( 0.000 1.535 1.226) 1.965 9.196 ( 0.000 -1.058 0.744) 1.293 9.224 ( 0.000 1.136 5.482) 5.598 9.246 ( 0.000 -1.068 4.806) 4.923 9.300 ( 0.000 2.392 1.292) 2.718 9.356 ( 0.000 -2.769 1.418) 3.110 9.431 ( 0.000 4.646 -0.046) 4.646 9.496 ( 0.000 3.044 0.881) 3.169 9.539 ( 0.000 -1.146 -1.241) 1.690 9.583 ( 0.000 -1.564 1.550) 2.202 9.625 ( 0.000 0.443 4.085) 4.109 9.694 ( 0.000 -4.047 0.679) 4.104 9.747 ( 0.000 -2.042 0.503) 2.103 9.753 ( 0.000 -1.812 -1.709) 2.491 9.934 ( 0.000 3.406 -4.764) 5.856 9.991 ( 0.000 -1.683 -2.175) 2.750 10.026 ( 0.000 2.390 -2.214) 3.258 10.095 ( 0.000 -3.256 -1.367) 3.531 10.133 ( 0.000 2.054 -3.566) 4.115 10.175 ( 0.000 -0.786 -1.487) 1.682 10.246 ( 0.000 1.844 0.879) 2.043 10.278 ( 0.000 2.825 -1.706) 3.300 10.290 ( 0.000 -2.266 3.523) 4.188 10.335 ( 0.000 -2.783 1.209) 3.034 10.576 ( 0.000 0.493 3.072) 3.111 10.590 ( 0.000 -0.781 0.756) 1.087 10.688 ( 0.000 0.076 0.558) 0.563 10.714 ( 0.000 -1.894 0.129) 1.898 10.880 ( 0.000 -0.535 -0.476) 0.716 10.884 ( 0.000 -1.261 1.302) 1.813 11.031 ( 0.000 3.401 -0.699) 3.472 11.080 ( 0.000 -1.537 0.151) 1.544 11.143 ( 0.000 3.870 0.031) 3.870 11.215 ( 0.000 -3.071 1.362) 3.360 11.300 ( 0.000 1.753 2.524) 3.073 11.338 ( 0.000 -1.442 2.489) 2.877 11.483 ( 0.000 4.685 -0.490) 4.710 11.584 ( 0.000 -5.350 -1.306) 5.507 11.695 ( 0.000 4.075 -0.811) 4.155 11.730 ( 0.000 -1.297 0.342) 1.341 11.750 ( 0.000 4.055 -0.680) 4.111 11.834 ( 0.000 -1.393 -0.810) 1.611 11.901 ( 0.000 2.908 -0.842) 3.027 11.972 ( 0.000 -2.681 1.621) 3.133 12.092 ( 0.000 0.470 1.071) 1.170 12.114 ( 0.000 -1.246 -0.300) 1.281 12.346 ( 0.000 2.587 -0.488) 2.632 12.383 ( 0.000 -0.983 -1.987) 2.217 12.492 ( 0.000 5.702 1.295) 5.847 12.665 ( 0.000 -10.700 3.502) 11.259 12.804 ( 0.000 2.620 -1.197) 2.881 12.865 ( 0.000 -3.653 1.313) 3.882 12.978 ( 0.000 10.607 0.825) 10.639 13.184 ( 0.000 -8.566 -0.810) 8.604 13.491 ( 0.000 2.058 -5.526) 5.896 13.541 ( 0.000 -3.112 -4.176) 5.208 13.691 ( 0.000 3.147 1.250) 3.386 13.770 ( 0.000 -3.983 -0.923) 4.088 13.916 ( 0.000 7.895 -3.145) 8.498 14.035 ( 0.000 -3.795 -3.945) 5.474 14.508 ( 0.000 10.720 13.368) 17.135 14.708 ( 0.000 -8.853 11.308) 14.362 15.368 ( 0.000 8.392 -10.814) 13.688 15.519 ( 0.000 -7.016 -7.507) 10.275 15.885 ( 0.000 3.601 -3.400) 4.953 15.953 ( 0.000 -3.394 -2.824) 4.416 16.189 ( 0.000 1.794 -1.030) 2.069 16.214 ( 0.000 -0.353 -0.892) 0.959 16.422 ( 0.000 -1.236 1.639) 2.053 16.427 ( 0.000 -2.411 2.604) 3.548 ======================= Grid point 50 (22/36) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 3.261 19.265 1.061) 19.568 1.307 ( 12.929 14.547 2.127) 19.578 1.443 ( 1.219 -8.569 -6.001) 10.532 1.575 ( 8.326 -5.429 -1.623) 10.071 1.783 ( 4.308 4.572 1.137) 6.384 1.859 ( 7.630 0.952 -4.349) 8.834 1.938 ( 11.780 5.652 -5.134) 14.038 1.958 ( 3.940 -2.250 -5.526) 7.151 1.999 ( 7.062 -4.557 -3.336) 9.043 2.093 ( 5.261 -3.053 -5.811) 8.412 2.142 ( 7.636 1.986 -1.835) 8.101 2.167 ( 0.744 -2.259 1.888) 3.036 2.253 ( 5.611 -7.424 5.630) 10.877 2.282 ( 3.638 -2.803 3.979) 6.077 2.457 ( 5.842 5.303 3.882) 8.793 2.595 ( 6.276 -3.123 3.786) 7.967 2.748 ( 0.640 8.197 6.561) 10.519 2.831 ( 1.810 2.843 -3.816) 5.091 2.865 ( -0.997 2.345 2.766) 3.761 2.893 ( 0.755 -3.012 4.389) 5.376 2.926 ( 2.318 -1.960 -0.480) 3.073 2.956 ( -1.638 4.835 2.772) 5.809 3.026 ( -1.713 -5.992 6.356) 8.901 3.084 ( 0.150 -0.375 1.284) 1.346 3.128 ( 1.013 0.802 -0.810) 1.525 3.223 ( 1.710 -0.218 1.542) 2.313 3.266 ( 0.805 -6.301 1.694) 6.574 3.314 ( 4.236 0.303 0.042) 4.247 3.357 ( 3.981 -5.856 2.291) 7.442 3.402 ( 4.416 -7.261 3.729) 9.281 3.430 ( 1.193 0.662 4.950) 5.135 3.497 ( 2.855 -1.337 1.917) 3.690 3.589 ( 0.220 2.143 -1.075) 2.407 3.649 ( 0.002 -0.051 -1.463) 1.464 3.727 ( -0.435 1.507 -0.742) 1.735 3.823 ( -1.676 -4.249 -0.195) 4.572 3.876 ( 0.314 0.777 -0.233) 0.870 3.899 ( 0.918 -1.231 -1.917) 2.456 3.989 ( -0.105 2.120 1.286) 2.482 4.040 ( -0.310 -0.818 -0.852) 1.222 4.071 ( 0.948 1.982 0.008) 2.197 4.137 ( -1.572 -1.746 -1.269) 2.670 4.218 ( 1.885 1.316 1.230) 2.607 4.258 ( -0.443 -1.308 -0.760) 1.576 4.329 ( 0.353 7.408 -2.195) 7.735 4.359 ( -1.510 2.987 -0.676) 3.414 4.403 ( -2.332 1.622 -2.763) 3.962 4.410 ( 2.358 -0.740 0.874) 2.621 4.443 ( 1.009 -3.451 -1.708) 3.980 4.497 ( -0.589 -4.777 -0.755) 4.872 4.641 ( -0.864 3.335 -1.341) 3.696 4.720 ( -0.110 -2.424 1.135) 2.678 4.818 ( 2.988 2.509 -0.223) 3.908 4.864 ( 0.795 -1.486 0.361) 1.723 4.922 ( 0.941 -1.121 1.485) 2.085 4.952 ( 0.901 -2.156 1.872) 2.994 5.065 ( 1.377 1.810 1.405) 2.673 5.087 ( -0.233 0.479 -2.545) 2.600 5.203 ( -0.489 2.340 -0.111) 2.393 5.246 ( -0.133 -2.421 -0.544) 2.485 5.366 ( -2.609 1.376 -1.838) 3.475 5.404 ( -3.693 -1.268 -3.470) 5.223 5.507 ( -1.311 0.239 -3.593) 3.832 5.534 ( 0.623 -1.696 -3.536) 3.970 5.623 ( 0.703 2.178 -0.505) 2.344 5.673 ( 1.460 -1.966 -1.213) 2.733 5.755 ( -0.172 1.254 -2.639) 2.927 5.786 ( 0.968 -0.328 -1.768) 2.042 5.844 ( 2.371 3.497 0.029) 4.225 5.915 ( 0.595 -2.058 -1.049) 2.386 6.087 ( 0.971 2.424 -0.164) 2.617 6.121 ( 0.396 -0.306 1.855) 1.921 6.154 ( -2.556 3.058 2.860) 4.906 6.187 ( 0.816 0.171 0.931) 1.250 6.250 ( -3.172 1.565 -0.394) 3.559 6.277 ( -5.044 -0.339 0.415) 5.073 6.383 ( -2.708 0.825 -1.420) 3.168 6.407 ( -2.258 0.303 -0.414) 2.316 6.508 ( -2.758 -0.767 1.365) 3.171 6.530 ( -1.502 -0.301 0.554) 1.629 6.589 ( -3.361 1.283 1.418) 3.867 6.660 ( -1.428 -2.741 3.910) 4.984 6.729 ( -1.823 0.507 0.136) 1.897 6.772 ( -0.490 -3.944 0.981) 4.094 6.916 ( 0.799 1.379 -1.121) 1.949 6.922 ( 0.292 2.675 -0.856) 2.824 7.003 ( -1.376 1.627 -0.118) 2.134 7.076 ( -1.527 -3.376 -2.058) 4.239 7.332 ( -3.660 6.117 1.350) 7.255 7.442 ( -3.730 -4.825 0.904) 6.166 7.649 ( 1.584 3.077 -0.218) 3.468 7.715 ( 2.217 -3.322 0.639) 4.045 7.782 ( -1.035 2.901 0.837) 3.191 7.829 ( 0.740 -0.809 -1.559) 1.906 7.876 ( -1.643 2.170 -2.427) 3.647 7.915 ( -1.164 -0.142 -2.226) 2.516 7.953 ( -0.485 3.949 -0.063) 3.980 8.048 ( 0.952 -4.701 -2.249) 5.297 8.221 ( 0.894 0.157 -3.874) 3.979 8.273 ( 1.336 -4.661 -2.660) 5.530 8.478 ( 1.750 1.172 -1.068) 2.362 8.513 ( 0.622 -2.363 1.149) 2.700 8.623 ( 0.652 1.359 3.085) 3.434 8.670 ( 1.026 -3.292 1.580) 3.793 8.826 ( 0.306 5.083 -0.203) 5.096 8.867 ( -1.335 0.494 -2.143) 2.573 8.919 ( -1.928 1.594 -0.635) 2.581 8.976 ( -0.633 -2.587 0.599) 2.730 9.041 ( -1.298 0.939 0.985) 1.881 9.083 ( -0.973 -1.578 1.528) 2.403 9.126 ( -3.272 -0.574 1.660) 3.713 9.152 ( -2.012 -2.404 2.715) 4.147 9.236 ( -0.854 2.193 2.272) 3.271 9.258 ( 0.956 0.858 1.776) 2.192 9.328 ( 1.215 1.748 0.678) 2.234 9.384 ( 2.731 -2.393 1.199) 3.824 9.468 ( 3.312 1.878 2.225) 4.410 9.505 ( 1.293 1.749 0.484) 2.228 9.557 ( 1.345 0.323 0.156) 1.392 9.599 ( 1.684 -1.285 0.810) 2.268 9.633 ( 1.177 -0.927 3.561) 3.863 9.685 ( -0.218 -4.363 1.815) 4.731 9.766 ( 2.877 1.219 -0.866) 3.243 9.816 ( 3.817 -3.357 -1.297) 5.246 9.925 ( -0.505 3.513 -4.762) 5.939 9.987 ( -0.337 -2.179 -2.702) 3.487 10.031 ( 0.580 1.345 -2.179) 2.625 10.079 ( -1.449 -2.802 -2.403) 3.966 10.139 ( -0.346 2.056 -1.638) 2.651 10.176 ( -1.138 -0.383 -1.323) 1.787 10.215 ( -1.431 2.143 0.589) 2.643 10.270 ( -1.120 -2.755 2.074) 3.625 10.306 ( 1.795 1.811 -0.419) 2.584 10.345 ( 0.362 -1.646 2.020) 2.631 10.560 ( -1.699 0.161 1.534) 2.294 10.573 ( -1.393 -0.681 2.434) 2.886 10.685 ( -0.286 0.173 -1.503) 1.540 10.708 ( -0.278 -1.867 -0.100) 1.890 10.863 ( -1.764 0.097 0.601) 1.866 10.875 ( -1.221 -1.013 1.543) 2.213 11.039 ( 0.526 3.239 -0.163) 3.285 11.081 ( -0.152 -0.961 -0.186) 0.991 11.157 ( 0.782 3.202 -0.086) 3.297 11.213 ( -0.358 -2.048 1.982) 2.872 11.289 ( -0.241 1.667 2.678) 3.164 11.334 ( 0.082 -2.181 2.634) 3.421 11.480 ( -0.597 3.099 -1.154) 3.361 11.542 ( -3.816 -2.607 -1.511) 4.863 11.707 ( 0.629 3.328 -0.225) 3.394 11.728 ( -0.221 -0.311 0.474) 0.609 11.760 ( 1.085 2.969 0.087) 3.162 11.836 ( 0.399 -1.617 -0.866) 1.877 11.890 ( -0.573 3.574 -0.844) 3.716 11.975 ( 0.453 -3.280 0.455) 3.342 12.106 ( -0.071 0.114 1.382) 1.389 12.124 ( 2.538 -2.005 2.733) 4.234 12.360 ( 1.837 3.597 -0.862) 4.129 12.382 ( -0.965 1.512 -0.571) 1.882 12.509 ( 2.096 2.823 1.793) 3.947 12.624 ( -4.180 -6.571 2.636) 8.222 12.721 ( -9.698 4.388 1.209) 10.713 12.801 ( -5.368 -1.127 0.922) 5.562 12.920 ( -3.707 5.890 1.839) 7.198 13.121 ( -3.852 -11.120 -0.526) 11.780 13.435 ( -5.602 1.983 -6.275) 8.643 13.465 ( -4.403 -1.258 -4.770) 6.612 13.620 ( -13.215 10.151 -5.699) 17.611 13.790 ( -14.089 -6.240 -5.377) 16.320 13.891 ( 5.076 6.086 3.652) 8.726 14.003 ( 10.821 -5.810 4.771) 13.176 14.552 ( 3.659 7.996 4.516) 9.886 14.717 ( 1.323 -8.378 7.479) 11.309 15.557 ( 15.982 8.010 -6.819) 19.133 15.698 ( 13.388 -5.883 -4.595) 15.328 15.890 ( 1.237 0.907 -4.442) 4.699 15.937 ( -1.390 -3.349 -2.832) 4.601 16.204 ( 1.631 1.369 -1.516) 2.614 16.226 ( 1.323 -0.520 -1.190) 1.854 16.420 ( 0.129 -0.449 1.876) 1.933 16.440 ( 0.809 -2.258 2.252) 3.290 ======================= Grid point 51 (23/36) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 9.428 9.857 1.636) 13.737 1.396 ( 2.159 -6.079 1.036) 6.534 1.636 ( 11.983 10.635 1.634) 16.105 1.697 ( 5.493 3.757 -2.224) 7.017 1.867 ( 3.571 -0.731 -1.605) 3.983 1.958 ( 3.256 -0.140 0.609) 3.315 2.020 ( 3.772 -4.248 -3.796) 6.832 2.069 ( 1.671 4.653 -4.782) 6.878 2.126 ( 0.390 -7.009 1.524) 7.183 2.202 ( 6.016 0.303 -4.850) 7.734 2.233 ( 7.667 -2.084 0.831) 7.988 2.290 ( 2.808 -7.275 1.973) 8.044 2.406 ( 9.648 3.901 -2.976) 10.824 2.466 ( 10.814 -0.463 -1.088) 10.878 2.596 ( 6.195 4.109 3.815) 8.356 2.679 ( 4.995 0.670 4.153) 6.530 2.726 ( -1.753 -0.311 5.038) 5.343 2.779 ( -3.648 -5.554 5.505) 8.629 2.841 ( -0.295 0.119 2.683) 2.701 2.906 ( -0.408 -3.118 1.771) 3.609 2.950 ( 3.381 5.165 0.095) 6.174 3.013 ( 4.976 -1.601 -0.751) 5.281 3.081 ( 7.153 1.619 4.053) 8.379 3.146 ( 3.493 1.178 -3.373) 4.997 3.180 ( 3.677 1.735 -3.205) 5.177 3.215 ( -1.182 -2.628 1.474) 3.237 3.292 ( 0.847 1.741 1.243) 2.301 3.361 ( 1.555 -2.339 -0.680) 2.889 3.409 ( 1.984 -0.923 -1.914) 2.907 3.477 ( 3.571 2.714 1.954) 4.893 3.500 ( 2.273 -8.125 2.649) 8.843 3.579 ( 5.178 -3.322 -0.374) 6.163 3.622 ( 4.718 2.464 1.779) 5.612 3.666 ( 0.905 -2.489 -0.001) 2.648 3.742 ( 2.119 0.005 1.344) 2.509 3.797 ( -0.285 -1.961 0.018) 1.982 3.905 ( 2.736 1.539 -1.074) 3.318 3.925 ( -2.420 -0.085 -1.376) 2.785 3.984 ( -0.076 -0.482 0.589) 0.764 4.023 ( 1.354 -2.044 -0.026) 2.452 4.093 ( 3.784 1.408 -1.913) 4.468 4.146 ( 2.934 -2.322 -1.865) 4.181 4.220 ( -0.769 1.748 -0.818) 2.077 4.259 ( 1.003 -0.618 0.005) 1.178 4.317 ( -0.690 2.336 -3.019) 3.879 4.339 ( -0.931 -0.823 -2.537) 2.824 4.414 ( 4.303 2.104 1.185) 4.935 4.465 ( 3.679 0.129 0.578) 3.726 4.526 ( 5.271 0.525 -0.546) 5.325 4.578 ( 7.660 -3.799 1.817) 8.741 4.612 ( -1.065 1.989 -0.471) 2.305 4.679 ( -2.728 -3.282 -0.243) 4.275 4.861 ( 1.350 2.252 -0.404) 2.657 4.875 ( 0.002 1.527 1.288) 1.998 4.953 ( 0.473 -0.671 1.848) 2.022 4.962 ( 1.971 -1.301 0.773) 2.485 5.064 ( -1.136 2.203 0.129) 2.482 5.077 ( -1.942 1.227 -0.819) 2.439 5.177 ( -1.781 2.052 1.716) 3.214 5.224 ( -2.242 -2.198 -0.068) 3.141 5.329 ( -3.141 1.715 -1.165) 3.763 5.364 ( -0.961 -2.276 -0.451) 2.511 5.446 ( -4.827 1.651 -1.813) 5.414 5.493 ( -3.862 -2.558 -2.053) 5.067 5.624 ( -0.732 1.410 -0.260) 1.610 5.664 ( -2.087 -2.526 -0.837) 3.382 5.737 ( -4.246 3.303 0.823) 5.442 5.781 ( -3.932 -0.590 0.065) 3.977 5.868 ( 0.705 3.628 1.319) 3.924 5.928 ( 0.177 -1.323 -1.163) 1.771 6.059 ( -6.637 4.427 1.655) 8.148 6.094 ( -3.964 1.505 1.058) 4.370 6.110 ( 0.384 1.832 0.994) 2.119 6.160 ( 1.338 -1.668 -0.931) 2.332 6.221 ( 0.015 1.831 0.134) 1.836 6.260 ( 2.967 0.164 0.495) 3.013 6.334 ( -2.040 -0.244 -0.606) 2.142 6.360 ( -2.060 -0.259 -0.523) 2.141 6.410 ( -2.629 3.451 -1.133) 4.484 6.482 ( -3.593 -4.342 -0.966) 5.718 6.569 ( -1.255 1.957 1.578) 2.810 6.632 ( -2.395 -2.627 2.178) 4.169 6.716 ( -0.016 1.516 0.108) 1.520 6.762 ( -1.714 -2.954 0.731) 3.492 6.859 ( -1.069 2.889 0.912) 3.213 6.925 ( -1.415 -3.603 2.055) 4.382 7.014 ( 2.297 4.544 -5.855) 7.759 7.083 ( -0.211 -1.591 -6.986) 7.168 7.260 ( -2.792 2.895 1.749) 4.386 7.347 ( -5.129 -5.099 0.657) 7.262 7.672 ( 0.302 3.455 0.253) 3.478 7.734 ( -1.592 -1.789 1.811) 3.002 7.788 ( 2.046 0.675 0.230) 2.167 7.822 ( -0.790 -2.014 0.581) 2.240 7.868 ( 0.852 2.999 -1.793) 3.597 7.904 ( -0.262 0.499 -0.681) 0.884 7.956 ( 0.790 2.385 0.089) 2.514 8.039 ( -1.307 -4.759 -1.271) 5.096 8.245 ( 1.156 -0.043 -2.353) 2.622 8.285 ( -0.058 -3.934 -2.192) 4.504 8.479 ( -0.592 1.146 0.953) 1.603 8.508 ( -0.489 -1.640 1.285) 2.140 8.653 ( 0.340 1.935 -1.805) 2.668 8.690 ( -0.281 -1.302 -0.946) 1.633 8.820 ( -0.240 2.040 0.473) 2.108 8.847 ( 0.777 -0.734 0.358) 1.127 8.908 ( -0.518 4.126 -0.132) 4.161 8.960 ( -0.518 0.054 0.524) 0.739 9.027 ( -0.242 2.194 0.588) 2.284 9.066 ( -0.965 1.003 0.204) 1.406 9.091 ( -0.018 -4.006 1.501) 4.278 9.136 ( -0.221 -4.248 1.261) 4.437 9.224 ( 0.355 1.025 0.906) 1.414 9.256 ( -0.366 -1.082 0.583) 1.282 9.346 ( 0.676 3.894 1.446) 4.208 9.432 ( 1.205 -2.706 0.564) 3.015 9.501 ( 1.126 2.772 1.521) 3.356 9.551 ( 1.958 -1.379 0.703) 2.496 9.591 ( 2.483 -0.635 0.354) 2.587 9.623 ( 0.601 -2.002 0.649) 2.188 9.675 ( 2.799 -0.194 2.641) 3.853 9.707 ( 2.572 -3.257 2.484) 4.837 9.827 ( 3.465 2.470 -2.159) 4.772 9.879 ( 3.316 -1.569 -1.014) 3.805 9.924 ( 0.224 1.974 -3.184) 3.754 9.985 ( 0.013 -2.267 -3.026) 3.781 10.033 ( -0.715 0.188 -1.592) 1.755 10.056 ( -0.819 -1.173 -2.052) 2.502 10.084 ( -4.377 1.071 -1.162) 4.654 10.124 ( -3.898 -2.211 0.162) 4.484 10.208 ( -0.307 2.194 1.984) 2.974 10.253 ( -1.622 -2.338 2.773) 3.973 10.340 ( 2.024 0.850 -1.767) 2.818 10.356 ( 1.748 -0.322 -1.025) 2.052 10.514 ( -2.757 1.237 -0.445) 3.055 10.551 ( -1.466 -2.160 1.950) 3.259 10.684 ( 0.293 0.591 -2.500) 2.586 10.702 ( -0.755 -0.890 -1.810) 2.154 10.818 ( -2.846 0.590 1.664) 3.349 10.829 ( -3.722 -0.194 1.179) 3.909 11.033 ( -1.119 1.500 1.335) 2.299 11.056 ( -2.218 -0.956 1.035) 2.627 11.169 ( 0.963 2.998 1.999) 3.730 11.215 ( 0.614 -1.377 3.224) 3.559 11.306 ( 1.402 1.593 2.057) 2.955 11.344 ( 0.317 -1.770 1.157) 2.138 11.458 ( -1.399 1.885 -0.612) 2.426 11.478 ( -1.866 0.244 -1.309) 2.293 11.706 ( -0.560 1.272 -0.613) 1.519 11.722 ( -0.730 -0.137 0.355) 0.824 11.790 ( 2.277 2.914 1.320) 3.927 11.853 ( 1.130 -1.841 0.432) 2.203 11.904 ( 2.361 3.530 -1.149) 4.400 11.986 ( 0.606 -4.651 -0.574) 4.725 12.117 ( 1.575 2.970 3.807) 5.079 12.179 ( 2.795 -2.919 4.473) 6.029 12.335 ( -2.924 5.087 -0.052) 5.867 12.408 ( 1.095 -0.438 -0.794) 1.421 12.488 ( -8.399 3.756 2.230) 9.467 12.517 ( -4.947 -0.557 3.412) 6.035 12.602 ( 1.388 5.676 2.062) 6.197 12.735 ( -1.213 -2.164 -0.721) 2.584 12.847 ( -3.612 3.547 -0.296) 5.071 13.039 ( -5.642 -10.969 -0.837) 12.364 13.265 ( -10.732 2.979 -0.719) 11.162 13.307 ( -9.592 -1.561 -0.225) 9.721 13.471 ( -4.475 4.923 -5.839) 8.852 13.570 ( -6.359 -4.148 -4.247) 8.699 13.989 ( 4.533 7.772 0.688) 9.024 14.163 ( 4.177 -9.568 -2.319) 10.694 14.650 ( 6.514 4.900 -0.375) 8.160 14.762 ( 3.015 -6.353 4.836) 8.535 15.813 ( 5.046 5.542 -2.946) 8.053 15.848 ( 5.441 5.482 -2.308) 8.061 15.915 ( 2.052 -5.023 -1.865) 5.737 15.987 ( 6.344 -6.913 -4.097) 10.238 16.246 ( 2.731 1.357 -1.343) 3.332 16.271 ( 3.374 -1.046 -2.421) 4.282 16.427 ( 0.555 0.569 1.894) 2.054 16.451 ( 0.322 -1.733 2.068) 2.718 ======================= Grid point 52 (24/36) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 7.641 1.800 1.861) 8.068 1.441 ( 1.135 -2.939 2.200) 3.842 1.769 ( 5.763 7.036 4.080) 9.968 1.844 ( 5.067 6.300 0.576) 8.105 1.910 ( 1.079 -3.217 1.173) 3.590 1.977 ( 1.294 2.198 -0.715) 2.648 2.012 ( -4.254 -1.426 -2.857) 5.320 2.067 ( -3.956 0.640 -3.769) 5.501 2.154 ( 4.865 -1.929 1.038) 5.335 2.232 ( -3.201 -2.242 4.395) 5.882 2.338 ( 6.097 -0.797 -2.283) 6.559 2.356 ( 2.893 -0.276 2.631) 3.920 2.445 ( -1.371 1.916 0.450) 2.399 2.513 ( -5.249 -3.201 -0.123) 6.149 2.667 ( 2.207 0.593 -0.590) 2.360 2.708 ( 3.886 1.776 1.167) 4.430 2.736 ( -1.174 -4.575 0.128) 4.725 2.795 ( -0.703 -5.035 3.872) 6.390 2.888 ( 4.128 2.139 -2.913) 5.487 2.925 ( 0.755 -0.833 -3.146) 3.341 3.037 ( 3.868 4.773 -1.700) 6.375 3.099 ( 0.190 3.354 -0.415) 3.384 3.119 ( 2.088 -1.998 0.785) 2.994 3.186 ( -0.972 -3.549 0.952) 3.801 3.249 ( 6.419 2.877 1.721) 7.242 3.295 ( 3.662 -2.242 0.630) 4.340 3.319 ( 3.813 1.026 1.553) 4.243 3.384 ( 2.047 -5.324 -1.236) 5.836 3.416 ( -1.957 -1.906 -3.726) 4.620 3.472 ( -3.740 -4.557 -0.552) 5.921 3.578 ( 4.844 1.886 -0.213) 5.203 3.633 ( -0.148 1.317 -0.354) 1.371 3.664 ( 2.276 -4.213 0.362) 4.802 3.698 ( -0.261 -3.786 -0.329) 3.809 3.779 ( 1.409 5.715 1.569) 6.092 3.798 ( -0.629 3.624 1.200) 3.869 3.884 ( -0.564 -3.659 -1.393) 3.955 3.911 ( -2.605 -5.648 0.086) 6.221 4.036 ( 4.748 0.911 -1.657) 5.110 4.057 ( 5.691 -1.636 -1.718) 6.165 4.142 ( -1.911 0.740 -0.326) 2.075 4.186 ( -3.107 -3.483 -0.245) 4.674 4.246 ( 3.994 6.943 -0.492) 8.025 4.300 ( 0.693 3.960 -1.546) 4.307 4.351 ( 3.915 -2.168 -0.885) 4.562 4.398 ( 3.504 -4.991 -0.589) 6.126 4.479 ( 4.122 2.628 0.970) 4.984 4.506 ( 1.370 0.149 1.097) 1.761 4.605 ( 4.168 2.272 0.611) 4.786 4.637 ( 4.993 -0.387 2.354) 5.534 4.657 ( 2.843 2.277 -3.428) 5.002 4.732 ( -1.075 -2.481 -3.168) 4.165 4.855 ( 0.979 1.280 -1.003) 1.898 4.883 ( 1.262 -0.765 1.375) 2.018 4.932 ( -5.713 3.048 -1.261) 6.597 4.963 ( -3.577 -0.422 -1.216) 3.801 5.021 ( 2.037 3.922 3.889) 5.887 5.075 ( 1.481 0.094 5.049) 5.263 5.138 ( -3.598 0.252 2.794) 4.562 5.162 ( -4.711 -1.698 3.233) 5.961 5.270 ( 0.838 3.259 0.631) 3.423 5.329 ( -0.655 -0.497 0.637) 1.040 5.370 ( -2.413 -0.268 1.175) 2.697 5.435 ( -3.526 -4.213 -0.262) 5.501 5.559 ( -6.440 1.489 0.432) 6.624 5.575 ( -6.410 -0.218 1.123) 6.511 5.661 ( -0.192 0.949 -0.130) 0.977 5.685 ( -2.160 -0.305 -0.218) 2.192 5.855 ( -0.649 0.762 0.066) 1.003 5.896 ( -3.567 -1.730 -0.281) 3.974 6.021 ( 1.131 4.159 0.693) 4.365 6.041 ( -1.193 2.584 0.011) 2.846 6.130 ( 1.930 1.299 -1.119) 2.582 6.170 ( -1.367 -1.779 -0.651) 2.336 6.243 ( 2.177 3.564 -0.290) 4.186 6.279 ( -1.599 3.175 -1.027) 3.700 6.337 ( 1.943 -4.207 -0.758) 4.695 6.363 ( -0.637 -4.136 -1.093) 4.325 6.423 ( 4.003 2.283 -0.562) 4.642 6.463 ( 2.921 -1.238 -0.772) 3.265 6.522 ( -3.357 3.261 1.432) 4.895 6.567 ( -4.487 -0.151 1.403) 4.704 6.690 ( -1.657 1.707 -0.197) 2.387 6.704 ( -2.915 0.226 0.276) 2.937 6.914 ( 5.227 0.452 -1.074) 5.355 6.950 ( 3.727 -2.911 0.030) 4.729 7.011 ( -3.455 1.666 -4.755) 6.110 7.030 ( -4.371 -0.998 -2.767) 5.268 7.250 ( 1.280 -0.707 -0.605) 1.582 7.283 ( -1.989 -3.678 -0.560) 4.219 7.667 ( -0.221 2.237 1.473) 2.688 7.685 ( -2.386 0.648 1.750) 3.029 7.821 ( 1.243 0.345 0.334) 1.333 7.828 ( 0.601 -0.244 0.135) 0.663 7.884 ( 0.584 1.512 0.782) 1.800 7.895 ( -0.662 0.865 1.150) 1.583 7.980 ( 1.577 -0.088 -0.466) 1.647 8.011 ( -1.627 -2.588 -0.639) 3.123 8.262 ( 0.753 -1.840 -2.142) 2.922 8.276 ( -0.731 -3.144 -2.282) 3.953 8.484 ( 1.261 1.364 -0.011) 1.858 8.505 ( -0.308 -0.627 -0.131) 0.711 8.629 ( -1.038 1.238 -0.304) 1.644 8.653 ( -2.839 -0.891 -0.355) 2.996 8.832 ( 0.764 1.772 0.772) 2.078 8.847 ( -0.887 0.738 0.753) 1.379 8.919 ( 1.972 2.552 1.456) 3.539 8.951 ( -1.080 0.359 0.926) 1.467 9.046 ( 1.740 1.501 -1.518) 2.755 9.057 ( 0.242 0.593 -0.383) 0.746 9.101 ( 0.495 -2.355 -0.654) 2.494 9.123 ( -1.373 -2.169 0.201) 2.575 9.241 ( 1.503 1.207 1.003) 2.172 9.266 ( 0.041 0.810 0.073) 0.815 9.361 ( 1.999 -0.394 1.953) 2.822 9.415 ( -2.504 -3.164 0.803) 4.114 9.534 ( 1.824 0.623 1.065) 2.203 9.558 ( -0.725 -1.557 0.526) 1.796 9.630 ( 1.477 -0.462 0.812) 1.748 9.640 ( 0.656 -1.230 1.552) 2.086 9.720 ( 1.935 0.335 0.707) 2.087 9.742 ( 0.192 -1.955 0.852) 2.141 9.891 ( 2.668 1.999 -3.283) 4.679 9.918 ( -0.222 0.443 -2.417) 2.467 9.950 ( 2.437 -0.015 -0.934) 2.610 9.978 ( -0.519 1.263 -0.673) 1.522 10.006 ( -1.308 -0.831 -0.812) 1.749 10.029 ( -1.291 -1.159 -0.983) 1.994 10.046 ( -0.073 -1.691 -0.706) 1.834 10.066 ( -1.354 -2.659 0.902) 3.118 10.187 ( -1.250 1.300 1.773) 2.529 10.204 ( -2.839 -0.415 2.093) 3.551 10.389 ( 3.171 1.249 -2.434) 4.188 10.415 ( 3.428 -0.609 -2.975) 4.579 10.462 ( -2.248 0.583 -1.560) 2.798 10.506 ( -3.475 -3.074 -1.268) 4.810 10.676 ( -0.433 2.096 -0.882) 2.315 10.691 ( -0.915 0.705 -0.876) 1.450 10.760 ( -1.671 0.270 -0.789) 1.868 10.773 ( -2.009 -0.773 -0.318) 2.176 11.018 ( -0.160 -0.118 3.440) 3.446 11.026 ( -0.886 -0.922 3.303) 3.542 11.192 ( 1.308 1.979 3.749) 4.436 11.215 ( -0.869 -0.205 4.266) 4.358 11.324 ( 0.650 1.086 0.757) 1.475 11.337 ( -0.701 0.004 0.217) 0.734 11.453 ( 0.598 1.650 -0.164) 1.763 11.463 ( -0.364 0.798 -0.391) 0.960 11.697 ( -0.166 -0.017 -0.955) 0.970 11.704 ( -0.869 -0.555 -0.586) 1.186 11.840 ( 2.485 1.653 1.585) 3.379 11.865 ( -0.118 -0.498 1.292) 1.390 11.964 ( 3.118 1.673 -0.479) 3.571 11.995 ( -0.090 -1.948 -0.565) 2.030 12.160 ( 2.584 3.856 3.137) 5.602 12.202 ( -1.186 0.244 2.879) 3.123 12.305 ( 0.807 3.560 1.491) 3.943 12.356 ( -4.436 3.863 2.007) 6.215 12.388 ( -1.676 -3.628 3.676) 5.429 12.425 ( -4.235 -2.530 3.118) 5.835 12.666 ( 3.719 7.219 -0.498) 8.136 12.720 ( -1.678 5.159 -1.685) 5.681 12.829 ( 2.514 -2.073 -3.095) 4.494 12.917 ( -6.260 -6.141 -3.150) 9.318 13.144 ( -1.631 1.803 3.136) 3.968 13.181 ( -4.317 -1.641 4.744) 6.620 13.410 ( -0.125 1.051 -1.768) 2.061 13.472 ( -5.270 -4.250 -1.867) 7.023 14.084 ( 5.463 2.625 -6.616) 8.973 14.168 ( -2.806 -5.553 -7.975) 10.115 14.762 ( 4.471 0.730 1.446) 4.756 14.800 ( 0.360 -3.060 3.389) 4.580 15.839 ( 0.765 2.727 -2.562) 3.819 15.857 ( -1.132 1.829 -3.092) 3.767 16.025 ( 4.300 -2.250 -1.304) 5.025 16.055 ( 0.904 -4.243 -1.647) 4.640 16.304 ( 2.902 1.661 -1.119) 3.526 16.323 ( 1.295 -0.201 -1.731) 2.171 16.437 ( 0.571 0.459 1.991) 2.121 16.449 ( -0.534 -0.694 2.013) 2.195 ======================= Grid point 70 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.000 0.000 19.096) 19.096 1.125 ( 0.000 0.000 10.937) 10.937 1.287 ( 0.000 0.000 -0.069) 0.069 1.385 ( 0.000 0.000 -8.418) 8.418 1.690 ( 0.000 0.000 26.485) 26.485 1.710 ( 0.000 0.000 1.829) 1.829 1.802 ( 0.000 0.000 -0.663) 0.663 1.886 ( 0.000 0.000 -0.694) 0.694 1.944 ( 0.000 0.000 -9.835) 9.835 2.091 ( 0.000 0.000 4.731) 4.731 2.143 ( 0.000 0.000 7.886) 7.886 2.276 ( 0.000 0.000 -8.103) 8.103 2.382 ( 0.000 0.000 -0.609) 0.609 2.500 ( 0.000 0.000 10.616) 10.616 2.524 ( 0.000 0.000 -9.097) 9.097 2.577 ( 0.000 0.000 1.180) 1.180 2.637 ( 0.000 0.000 -9.892) 9.892 2.659 ( 0.000 0.000 -6.914) 6.914 2.767 ( 0.000 0.000 -4.639) 4.639 2.787 ( 0.000 0.000 3.311) 3.311 2.820 ( 0.000 0.000 -0.233) 0.233 2.886 ( 0.000 0.000 -5.104) 5.104 2.924 ( 0.000 0.000 -5.395) 5.395 2.943 ( 0.000 0.000 -1.784) 1.784 3.231 ( 0.000 0.000 1.436) 1.436 3.251 ( 0.000 0.000 4.297) 4.297 3.294 ( 0.000 0.000 -4.947) 4.947 3.404 ( 0.000 0.000 -7.254) 7.254 3.405 ( 0.000 0.000 -0.590) 0.590 3.500 ( 0.000 0.000 3.013) 3.013 3.560 ( 0.000 0.000 5.384) 5.384 3.632 ( 0.000 0.000 3.189) 3.189 3.649 ( 0.000 0.000 -2.372) 2.372 3.669 ( 0.000 0.000 -0.563) 0.563 3.783 ( 0.000 0.000 0.415) 0.415 3.831 ( 0.000 0.000 2.069) 2.069 3.870 ( 0.000 0.000 2.139) 2.139 3.937 ( 0.000 0.000 3.768) 3.768 3.970 ( 0.000 0.000 -0.307) 0.307 3.983 ( 0.000 0.000 -2.709) 2.709 4.071 ( 0.000 0.000 0.088) 0.088 4.161 ( 0.000 0.000 -2.987) 2.987 4.175 ( 0.000 0.000 1.619) 1.619 4.215 ( 0.000 0.000 -0.519) 0.519 4.237 ( 0.000 0.000 7.600) 7.600 4.300 ( 0.000 0.000 -0.643) 0.643 4.378 ( 0.000 0.000 0.353) 0.353 4.421 ( 0.000 0.000 -4.104) 4.104 4.551 ( 0.000 0.000 -1.682) 1.682 4.588 ( 0.000 0.000 5.386) 5.386 4.641 ( 0.000 0.000 3.328) 3.328 4.777 ( 0.000 0.000 -2.014) 2.014 4.902 ( 0.000 0.000 -3.172) 3.172 4.951 ( 0.000 0.000 -3.031) 3.031 4.971 ( 0.000 0.000 6.965) 6.965 5.021 ( 0.000 0.000 2.171) 2.171 5.110 ( 0.000 0.000 1.720) 1.720 5.129 ( 0.000 0.000 0.553) 0.553 5.268 ( 0.000 0.000 1.521) 1.521 5.283 ( 0.000 0.000 -2.864) 2.864 5.336 ( 0.000 0.000 -5.262) 5.262 5.376 ( 0.000 0.000 -0.887) 0.887 5.407 ( 0.000 0.000 -2.751) 2.751 5.424 ( 0.000 0.000 -1.051) 1.051 5.559 ( 0.000 0.000 -1.741) 1.741 5.673 ( 0.000 0.000 -0.384) 0.384 5.739 ( 0.000 0.000 1.830) 1.830 5.759 ( 0.000 0.000 -0.126) 0.126 5.772 ( 0.000 0.000 -2.750) 2.750 5.912 ( 0.000 0.000 0.893) 0.893 5.931 ( 0.000 0.000 -0.836) 0.836 5.972 ( 0.000 0.000 -3.360) 3.360 6.077 ( 0.000 0.000 0.844) 0.844 6.094 ( 0.000 0.000 -0.199) 0.199 6.281 ( 0.000 0.000 -1.081) 1.081 6.298 ( 0.000 0.000 1.051) 1.051 6.336 ( 0.000 0.000 -1.363) 1.363 6.347 ( 0.000 0.000 2.354) 2.354 6.412 ( 0.000 0.000 -0.796) 0.796 6.514 ( 0.000 0.000 2.161) 2.161 6.718 ( 0.000 0.000 -1.506) 1.506 6.747 ( 0.000 0.000 -0.086) 0.086 6.781 ( 0.000 0.000 -0.520) 0.520 6.797 ( 0.000 0.000 -0.069) 0.069 6.832 ( 0.000 0.000 -0.671) 0.671 6.916 ( 0.000 0.000 0.570) 0.570 6.958 ( 0.000 0.000 -0.339) 0.339 7.191 ( 0.000 0.000 1.254) 1.254 7.309 ( 0.000 0.000 5.341) 5.341 7.441 ( 0.000 0.000 0.046) 0.046 7.626 ( 0.000 0.000 -0.073) 0.073 7.676 ( 0.000 0.000 3.539) 3.539 7.676 ( 0.000 0.000 -2.581) 2.581 7.791 ( 0.000 0.000 -3.229) 3.229 7.843 ( 0.000 0.000 0.129) 0.129 7.900 ( 0.000 0.000 -0.364) 0.364 7.934 ( 0.000 0.000 -1.204) 1.204 7.999 ( 0.000 0.000 0.417) 0.417 8.326 ( 0.000 0.000 0.023) 0.023 8.406 ( 0.000 0.000 -0.870) 0.870 8.474 ( 0.000 0.000 -0.097) 0.097 8.632 ( 0.000 0.000 -2.942) 2.942 8.668 ( 0.000 0.000 0.314) 0.314 8.772 ( 0.000 0.000 4.206) 4.206 8.843 ( 0.000 0.000 -2.933) 2.933 8.864 ( 0.000 0.000 3.439) 3.439 8.913 ( 0.000 0.000 0.225) 0.225 8.984 ( 0.000 0.000 -1.769) 1.769 9.040 ( 0.000 0.000 -0.826) 0.826 9.114 ( 0.000 0.000 1.345) 1.345 9.141 ( 0.000 0.000 0.072) 0.072 9.187 ( 0.000 0.000 0.055) 0.055 9.190 ( 0.000 0.000 -2.497) 2.497 9.200 ( 0.000 0.000 -0.378) 0.378 9.382 ( 0.000 0.000 1.115) 1.115 9.467 ( 0.000 0.000 0.393) 0.393 9.484 ( 0.000 0.000 4.041) 4.041 9.582 ( 0.000 0.000 5.430) 5.430 9.637 ( 0.000 0.000 3.380) 3.380 9.637 ( 0.000 0.000 0.138) 0.138 9.686 ( 0.000 0.000 -1.175) 1.175 9.694 ( 0.000 0.000 2.637) 2.637 9.747 ( 0.000 0.000 -2.297) 2.297 9.824 ( 0.000 0.000 -4.677) 4.677 9.847 ( 0.000 0.000 1.777) 1.777 9.884 ( 0.000 0.000 -0.685) 0.685 9.970 ( 0.000 0.000 -1.650) 1.650 10.071 ( 0.000 0.000 -0.463) 0.463 10.082 ( 0.000 0.000 -5.418) 5.418 10.148 ( 0.000 0.000 1.653) 1.653 10.181 ( 0.000 0.000 -0.782) 0.782 10.185 ( 0.000 0.000 -0.689) 0.689 10.344 ( 0.000 0.000 -0.274) 0.274 10.453 ( 0.000 0.000 4.506) 4.506 10.572 ( 0.000 0.000 -3.904) 3.904 10.651 ( 0.000 0.000 4.634) 4.634 10.684 ( 0.000 0.000 -0.579) 0.579 10.768 ( 0.000 0.000 -3.628) 3.628 10.883 ( 0.000 0.000 5.028) 5.028 10.960 ( 0.000 0.000 1.394) 1.394 10.983 ( 0.000 0.000 0.118) 0.118 11.040 ( 0.000 0.000 -0.673) 0.673 11.187 ( 0.000 0.000 -2.264) 2.264 11.188 ( 0.000 0.000 1.370) 1.370 11.270 ( 0.000 0.000 -3.306) 3.306 11.445 ( 0.000 0.000 1.883) 1.883 11.451 ( 0.000 0.000 -1.916) 1.916 11.655 ( 0.000 0.000 0.451) 0.451 11.697 ( 0.000 0.000 -0.602) 0.602 11.744 ( 0.000 0.000 2.460) 2.460 11.752 ( 0.000 0.000 0.105) 0.105 11.771 ( 0.000 0.000 -0.523) 0.523 11.874 ( 0.000 0.000 -1.249) 1.249 11.954 ( 0.000 0.000 1.888) 1.888 12.016 ( 0.000 0.000 1.005) 1.005 12.123 ( 0.000 0.000 1.225) 1.225 12.174 ( 0.000 0.000 0.465) 0.465 12.294 ( 0.000 0.000 -5.166) 5.166 12.367 ( 0.000 0.000 -1.805) 1.805 12.648 ( 0.000 0.000 0.902) 0.902 12.707 ( 0.000 0.000 -4.710) 4.710 12.885 ( 0.000 0.000 0.543) 0.543 13.207 ( 0.000 0.000 1.932) 1.932 13.324 ( 0.000 0.000 1.463) 1.463 13.370 ( 0.000 0.000 -2.709) 2.709 13.544 ( 0.000 0.000 0.498) 0.498 13.693 ( 0.000 0.000 -1.079) 1.079 13.728 ( 0.000 0.000 2.243) 2.243 13.909 ( 0.000 0.000 -0.471) 0.471 14.333 ( 0.000 0.000 12.319) 12.319 14.342 ( 0.000 0.000 1.463) 1.463 14.678 ( 0.000 0.000 -4.215) 4.215 15.056 ( 0.000 0.000 -1.012) 1.012 15.548 ( 0.000 0.000 -3.151) 3.151 15.767 ( 0.000 0.000 -0.693) 0.693 16.037 ( 0.000 0.000 -0.863) 0.863 16.097 ( 0.000 0.000 -0.060) 0.060 16.158 ( 0.000 0.000 -0.796) 0.796 16.505 ( 0.000 0.000 1.224) 1.224 16.602 ( 0.000 0.000 -1.223) 1.223 ======================= Grid point 71 (26/36) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 15.521 0.000 15.458) 21.906 1.189 ( 5.493 0.000 11.647) 12.877 1.349 ( 3.992 0.000 4.098) 5.721 1.502 ( 12.382 0.000 -15.258) 19.650 1.694 ( 3.407 0.000 7.913) 8.615 1.794 ( 3.148 0.000 2.492) 4.015 1.932 ( 1.965 0.000 -5.390) 5.737 1.965 ( 16.896 0.000 10.410) 19.845 2.035 ( 12.518 0.000 0.694) 12.537 2.112 ( 0.551 0.000 -5.431) 5.458 2.166 ( 3.308 0.000 8.698) 9.305 2.262 ( 1.129 0.000 -0.988) 1.500 2.351 ( -3.426 0.000 0.480) 3.459 2.506 ( 0.417 0.000 6.351) 6.364 2.534 ( 0.310 0.000 -14.014) 14.017 2.594 ( 2.755 0.000 4.593) 5.356 2.675 ( 4.875 0.000 -8.431) 9.739 2.730 ( 2.067 0.000 -2.860) 3.529 2.798 ( 5.657 0.000 0.796) 5.712 2.830 ( 2.732 0.000 -2.746) 3.873 2.882 ( 6.448 0.000 -0.424) 6.462 2.915 ( 2.812 0.000 -5.103) 5.827 2.956 ( 3.468 0.000 -0.736) 3.545 3.064 ( 8.787 0.000 -1.771) 8.964 3.191 ( -5.470 0.000 -1.428) 5.654 3.240 ( -2.004 0.000 6.003) 6.329 3.296 ( 5.725 0.000 -3.194) 6.555 3.397 ( -0.117 0.000 -1.027) 1.034 3.427 ( 1.523 0.000 -1.381) 2.056 3.469 ( -0.032 0.000 -2.176) 2.176 3.587 ( 0.950 0.000 -0.614) 1.131 3.628 ( 0.050 0.000 1.280) 1.281 3.650 ( -0.344 0.000 4.022) 4.037 3.724 ( 2.658 0.000 -2.329) 3.534 3.747 ( -5.299 0.000 4.818) 7.162 3.774 ( -2.506 0.000 0.279) 2.521 3.846 ( 0.873 0.000 -2.287) 2.448 3.887 ( 1.203 0.000 2.288) 2.585 3.982 ( 0.649 0.000 0.307) 0.718 4.060 ( 2.905 0.000 1.305) 3.185 4.082 ( 0.456 0.000 -2.569) 2.609 4.149 ( -0.421 0.000 0.904) 0.997 4.220 ( 3.246 0.000 -1.365) 3.521 4.227 ( 1.679 0.000 2.365) 2.901 4.264 ( 0.661 0.000 3.281) 3.347 4.312 ( 1.411 0.000 0.526) 1.506 4.365 ( -1.531 0.000 -0.546) 1.626 4.409 ( 0.111 0.000 -2.792) 2.794 4.577 ( 2.528 0.000 0.544) 2.586 4.603 ( 1.045 0.000 4.625) 4.742 4.662 ( 2.773 0.000 1.635) 3.219 4.751 ( -2.672 0.000 -1.199) 2.928 4.859 ( -5.763 0.000 -1.411) 5.934 4.869 ( -3.448 0.000 -2.276) 4.132 4.999 ( -1.219 0.000 1.510) 1.941 5.010 ( -1.802 0.000 3.466) 3.906 5.043 ( -0.887 0.000 -0.266) 0.927 5.124 ( -0.825 0.000 0.676) 1.067 5.268 ( -1.062 0.000 1.239) 1.632 5.282 ( -1.233 0.000 -0.566) 1.356 5.326 ( -1.712 0.000 -1.946) 2.592 5.390 ( 3.613 0.000 -0.638) 3.669 5.444 ( 3.117 0.000 -2.290) 3.867 5.468 ( 2.329 0.000 -1.178) 2.610 5.551 ( -1.212 0.000 -2.364) 2.657 5.622 ( -4.000 0.000 -0.356) 4.016 5.709 ( -2.241 0.000 1.749) 2.842 5.752 ( 1.672 0.000 -1.658) 2.355 5.851 ( 3.017 0.000 -0.618) 3.080 5.888 ( -2.997 0.000 0.294) 3.012 5.900 ( -1.401 0.000 -0.296) 1.432 5.923 ( -2.044 0.000 -3.022) 3.649 6.085 ( -0.084 0.000 0.393) 0.402 6.177 ( 2.985 0.000 3.167) 4.352 6.252 ( -0.186 0.000 -3.568) 3.573 6.276 ( 0.336 0.000 -0.680) 0.758 6.314 ( -3.007 0.000 2.964) 4.222 6.389 ( -5.236 0.000 0.607) 5.271 6.395 ( -0.188 0.000 0.106) 0.216 6.504 ( 1.942 0.000 -0.523) 2.011 6.688 ( -4.385 0.000 0.579) 4.423 6.737 ( 0.997 0.000 -1.469) 1.776 6.756 ( -0.669 0.000 1.992) 2.101 6.799 ( -2.571 0.000 -0.041) 2.571 6.831 ( 1.531 0.000 -3.401) 3.730 6.906 ( -4.858 0.000 -0.338) 4.870 6.971 ( 4.874 0.000 0.807) 4.940 7.156 ( -3.510 0.000 1.791) 3.940 7.301 ( -0.664 0.000 3.468) 3.530 7.458 ( -0.525 0.000 -1.193) 1.303 7.605 ( 0.969 0.000 -0.968) 1.370 7.664 ( 0.467 0.000 2.117) 2.168 7.706 ( 1.020 0.000 -0.547) 1.157 7.780 ( -0.531 0.000 -2.390) 2.449 7.856 ( -0.106 0.000 -1.085) 1.090 7.876 ( -1.222 0.000 0.741) 1.429 7.905 ( -0.427 0.000 -1.486) 1.546 8.093 ( 5.712 0.000 0.015) 5.712 8.341 ( 1.040 0.000 -0.263) 1.073 8.420 ( -3.347 0.000 0.136) 3.350 8.446 ( 3.453 0.000 -0.710) 3.525 8.629 ( -2.715 0.000 0.812) 2.834 8.656 ( -2.165 0.000 -2.126) 3.034 8.712 ( -2.118 0.000 0.679) 2.224 8.774 ( -3.069 0.000 3.072) 4.342 8.845 ( -4.804 0.000 -1.437) 5.015 8.912 ( 2.166 0.000 3.189) 3.855 8.994 ( -3.787 0.000 0.488) 3.819 9.045 ( -3.151 0.000 -1.516) 3.497 9.065 ( 2.589 0.000 -2.101) 3.335 9.144 ( -0.671 0.000 1.710) 1.837 9.172 ( -1.102 0.000 -0.009) 1.102 9.198 ( 2.385 0.000 0.331) 2.408 9.238 ( 2.665 0.000 -1.913) 3.281 9.390 ( 0.714 0.000 1.279) 1.465 9.475 ( -0.190 0.000 4.154) 4.159 9.516 ( 0.277 0.000 1.175) 1.207 9.591 ( 1.911 0.000 2.366) 3.041 9.625 ( -1.159 0.000 2.141) 2.435 9.640 ( 0.238 0.000 -0.508) 0.561 9.680 ( 0.039 0.000 -2.211) 2.211 9.717 ( -1.213 0.000 -3.074) 3.305 9.758 ( 4.184 0.000 1.803) 4.556 9.806 ( 2.505 0.000 -1.921) 3.156 9.872 ( 1.701 0.000 2.091) 2.695 9.975 ( 0.671 0.000 -1.925) 2.038 9.994 ( 2.954 0.000 -1.517) 3.320 10.066 ( -0.040 0.000 -1.182) 1.183 10.084 ( -0.681 0.000 -3.243) 3.313 10.143 ( 4.111 0.000 -0.813) 4.191 10.198 ( 2.111 0.000 1.011) 2.340 10.205 ( 0.963 0.000 0.469) 1.071 10.358 ( 0.840 0.000 -0.353) 0.911 10.442 ( -0.942 0.000 3.458) 3.584 10.536 ( -3.739 0.000 -3.633) 5.213 10.605 ( -2.835 0.000 1.750) 3.332 10.693 ( -0.551 0.000 2.704) 2.759 10.778 ( -0.530 0.000 -4.313) 4.346 10.833 ( -4.316 0.000 1.686) 4.634 10.874 ( -5.462 0.000 -0.088) 5.462 11.023 ( 1.554 0.000 2.647) 3.069 11.069 ( 2.915 0.000 -0.910) 3.054 11.171 ( -0.158 0.000 0.889) 0.902 11.213 ( 1.207 0.000 3.191) 3.412 11.305 ( 2.377 0.000 -5.320) 5.827 11.417 ( -2.920 0.000 -0.430) 2.952 11.452 ( 0.200 0.000 0.652) 0.682 11.614 ( -3.893 0.000 2.964) 4.893 11.659 ( -2.981 0.000 0.800) 3.087 11.698 ( -2.671 0.000 -0.845) 2.802 11.717 ( -1.769 0.000 -0.923) 1.996 11.851 ( -2.279 0.000 0.333) 2.303 11.883 ( 6.937 0.000 1.520) 7.101 11.931 ( -0.620 0.000 1.156) 1.312 12.036 ( 1.676 0.000 1.739) 2.415 12.122 ( -0.030 0.000 0.034) 0.045 12.221 ( 4.392 0.000 -0.131) 4.393 12.243 ( -2.700 0.000 -3.534) 4.448 12.378 ( -1.543 0.000 -0.874) 1.773 12.542 ( -9.452 0.000 -1.050) 9.511 12.713 ( 2.962 0.000 -1.772) 3.452 12.906 ( -2.271 0.000 1.152) 2.547 13.069 ( -11.306 0.000 3.155) 11.738 13.117 ( -6.239 0.000 -2.656) 6.781 13.423 ( -17.745 0.000 -0.105) 17.745 13.486 ( -0.405 0.000 1.673) 1.721 13.558 ( 1.933 0.000 1.502) 2.448 13.656 ( -2.977 0.000 -3.500) 4.595 13.973 ( -18.870 0.000 6.264) 19.883 14.148 ( 13.484 0.000 -1.273) 13.544 14.524 ( 8.590 0.000 6.214) 10.602 15.057 ( 21.360 0.000 -9.899) 23.542 15.224 ( 15.317 0.000 12.956) 20.061 15.608 ( 6.720 0.000 -12.774) 14.434 15.779 ( 2.143 0.000 -1.205) 2.458 16.024 ( -0.719 0.000 -1.051) 1.273 16.112 ( 1.421 0.000 -0.337) 1.461 16.182 ( 2.120 0.000 -0.415) 2.160 16.505 ( -0.207 0.000 1.510) 1.524 16.553 ( -4.064 0.000 -1.386) 4.293 ======================= Grid point 72 (27/36) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 4.726 0.000 7.718) 9.050 1.388 ( 4.937 0.000 -1.364) 5.122 1.441 ( 12.514 0.000 12.892) 17.967 1.742 ( 11.097 0.000 -12.347) 16.601 1.762 ( 5.393 0.000 8.808) 10.328 1.885 ( 5.472 0.000 -3.990) 6.772 1.993 ( 3.836 0.000 -1.495) 4.117 2.112 ( -0.149 0.000 -6.037) 6.039 2.179 ( 1.491 0.000 4.089) 4.352 2.256 ( 2.169 0.000 -0.525) 2.232 2.266 ( 7.035 0.000 2.200) 7.371 2.321 ( 4.018 0.000 7.809) 8.782 2.408 ( 14.348 0.000 0.572) 14.359 2.493 ( -3.015 0.000 1.215) 3.250 2.555 ( 1.857 0.000 -9.872) 10.046 2.632 ( -2.998 0.000 1.350) 3.288 2.699 ( -0.029 0.000 -4.195) 4.196 2.771 ( 1.502 0.000 2.398) 2.829 2.829 ( 3.019 0.000 -4.648) 5.543 2.894 ( -1.806 0.000 -3.166) 3.645 2.981 ( 6.487 0.000 1.758) 6.721 3.008 ( 5.024 0.000 -0.232) 5.029 3.117 ( 11.832 0.000 -1.437) 11.919 3.143 ( 4.121 0.000 -1.208) 4.295 3.221 ( 6.749 0.000 0.417) 6.761 3.257 ( 3.382 0.000 8.906) 9.526 3.355 ( 1.434 0.000 -2.917) 3.251 3.382 ( -1.130 0.000 0.490) 1.232 3.484 ( 0.408 0.000 -7.121) 7.133 3.499 ( 3.027 0.000 -3.624) 4.722 3.597 ( -0.894 0.000 3.000) 3.130 3.643 ( -1.206 0.000 -1.185) 1.691 3.667 ( 2.763 0.000 5.153) 5.847 3.697 ( 7.025 0.000 5.865) 9.152 3.764 ( 2.987 0.000 0.982) 3.144 3.831 ( 9.245 0.000 -3.078) 9.744 3.898 ( 0.544 0.000 4.285) 4.319 3.928 ( 2.568 0.000 -4.859) 5.496 3.987 ( 1.493 0.000 2.511) 2.921 4.090 ( -0.210 0.000 -3.241) 3.247 4.125 ( 4.151 0.000 -2.797) 5.005 4.165 ( 3.227 0.000 -0.018) 3.227 4.184 ( -6.016 0.000 0.832) 6.073 4.256 ( 0.823 0.000 3.378) 3.477 4.290 ( 1.257 0.000 1.062) 1.645 4.328 ( 1.255 0.000 1.017) 1.615 4.373 ( 4.003 0.000 -4.145) 5.763 4.455 ( 3.979 0.000 2.718) 4.819 4.608 ( -0.001 0.000 2.401) 2.401 4.635 ( 3.091 0.000 1.267) 3.340 4.716 ( -0.161 0.000 -1.411) 1.421 4.730 ( -0.041 0.000 1.147) 1.148 4.766 ( -3.422 0.000 -1.656) 3.801 4.802 ( -1.789 0.000 -4.171) 4.538 4.945 ( -3.515 0.000 2.477) 4.300 4.990 ( -0.004 0.000 1.929) 1.929 5.023 ( -2.701 0.000 0.958) 2.866 5.085 ( -3.942 0.000 0.191) 3.947 5.214 ( -3.338 0.000 -1.118) 3.520 5.238 ( -5.197 0.000 3.198) 6.102 5.292 ( -1.608 0.000 0.674) 1.743 5.406 ( -5.037 0.000 0.144) 5.039 5.451 ( -0.948 0.000 -2.884) 3.036 5.523 ( -3.293 0.000 -3.015) 4.464 5.553 ( 4.795 0.000 1.131) 4.926 5.562 ( 0.502 0.000 0.366) 0.621 5.700 ( 3.003 0.000 0.191) 3.009 5.791 ( -0.042 0.000 0.753) 0.754 5.808 ( -3.830 0.000 1.772) 4.220 5.836 ( -1.804 0.000 0.375) 1.842 5.887 ( -2.308 0.000 -2.714) 3.563 5.926 ( 1.126 0.000 -1.697) 2.037 6.049 ( -3.385 0.000 -1.301) 3.626 6.162 ( -1.755 0.000 0.484) 1.820 6.243 ( -1.163 0.000 1.518) 1.912 6.251 ( -0.843 0.000 -1.867) 2.048 6.284 ( -1.271 0.000 0.443) 1.346 6.349 ( 2.767 0.000 0.466) 2.806 6.414 ( 1.120 0.000 -0.679) 1.310 6.499 ( -1.908 0.000 0.036) 1.908 6.592 ( -5.359 0.000 -0.087) 5.360 6.669 ( -8.025 0.000 0.474) 8.039 6.753 ( -1.098 0.000 0.705) 1.305 6.785 ( 0.049 0.000 0.106) 0.116 6.808 ( -3.566 0.000 -0.422) 3.591 6.827 ( -2.160 0.000 -2.830) 3.560 7.083 ( 4.054 0.000 1.404) 4.291 7.105 ( 0.955 0.000 0.593) 1.124 7.295 ( 0.185 0.000 1.686) 1.697 7.399 ( -3.238 0.000 -1.296) 3.488 7.659 ( -0.554 0.000 2.485) 2.546 7.691 ( 2.478 0.000 0.540) 2.536 7.734 ( 4.111 0.000 -1.770) 4.476 7.783 ( 0.474 0.000 -1.106) 1.203 7.815 ( -2.843 0.000 -2.127) 3.550 7.841 ( -1.980 0.000 -0.378) 2.016 7.960 ( 4.834 0.000 0.337) 4.845 8.144 ( -0.441 0.000 -0.350) 0.563 8.352 ( 0.235 0.000 -0.114) 0.261 8.397 ( 1.471 0.000 0.177) 1.482 8.499 ( 1.056 0.000 0.416) 1.135 8.575 ( -2.567 0.000 0.401) 2.598 8.615 ( -1.183 0.000 0.347) 1.233 8.644 ( -5.974 0.000 -0.233) 5.978 8.753 ( 0.330 0.000 1.398) 1.437 8.788 ( -0.464 0.000 -1.279) 1.360 8.887 ( -4.509 0.000 -0.905) 4.599 8.938 ( -0.564 0.000 2.628) 2.688 9.034 ( 1.722 0.000 0.292) 1.746 9.108 ( 0.278 0.000 0.791) 0.838 9.132 ( -0.162 0.000 0.788) 0.805 9.164 ( 1.038 0.000 -0.868) 1.353 9.243 ( 1.715 0.000 1.260) 2.128 9.283 ( 2.507 0.000 -2.011) 3.214 9.391 ( -1.239 0.000 2.161) 2.491 9.444 ( -2.966 0.000 0.505) 3.009 9.512 ( 0.320 0.000 -0.137) 0.348 9.609 ( 0.171 0.000 -0.644) 0.666 9.620 ( 0.496 0.000 -0.686) 0.847 9.647 ( 0.599 0.000 -1.766) 1.865 9.668 ( -0.198 0.000 0.558) 0.592 9.761 ( 3.948 0.000 -0.713) 4.012 9.822 ( -0.263 0.000 -0.542) 0.602 9.847 ( 3.768 0.000 0.754) 3.843 9.920 ( 3.223 0.000 2.373) 4.002 9.979 ( -2.158 0.000 -1.319) 2.529 9.995 ( 1.187 0.000 -2.983) 3.211 10.048 ( 0.876 0.000 1.161) 1.455 10.098 ( 1.267 0.000 -2.962) 3.222 10.193 ( -1.138 0.000 1.878) 2.196 10.234 ( 1.800 0.000 1.573) 2.390 10.298 ( 4.601 0.000 0.417) 4.620 10.320 ( -2.731 0.000 0.304) 2.747 10.434 ( -1.557 0.000 -1.557) 2.202 10.488 ( 0.151 0.000 -2.408) 2.413 10.547 ( -2.426 0.000 0.995) 2.622 10.672 ( -1.722 0.000 2.091) 2.709 10.709 ( -7.819 0.000 -0.255) 7.823 10.742 ( -3.422 0.000 -3.866) 5.163 10.787 ( -3.679 0.000 0.310) 3.692 11.069 ( 2.700 0.000 2.374) 3.596 11.113 ( 1.138 0.000 -0.873) 1.434 11.165 ( 0.236 0.000 2.020) 2.034 11.248 ( 1.487 0.000 3.374) 3.687 11.290 ( -3.108 0.000 -0.492) 3.147 11.386 ( 0.325 0.000 -2.702) 2.721 11.457 ( -0.034 0.000 1.310) 1.310 11.504 ( -6.506 0.000 5.705) 8.653 11.628 ( 1.150 0.000 -1.313) 1.745 11.685 ( 0.516 0.000 -2.151) 2.212 11.724 ( 2.223 0.000 -0.115) 2.226 11.806 ( -1.894 0.000 0.380) 1.932 11.942 ( 1.171 0.000 0.884) 1.467 11.970 ( 1.536 0.000 -0.236) 1.554 12.075 ( 2.544 0.000 3.050) 3.972 12.140 ( 2.040 0.000 -0.433) 2.086 12.202 ( -2.054 0.000 -2.558) 3.280 12.270 ( -4.245 0.000 -0.609) 4.289 12.354 ( 3.227 0.000 0.291) 3.240 12.405 ( -2.264 0.000 -1.898) 2.954 12.767 ( -2.434 0.000 4.621) 5.223 12.819 ( -0.039 0.000 0.189) 0.193 12.854 ( -9.606 0.000 1.259) 9.688 13.108 ( -6.183 0.000 0.449) 6.199 13.180 ( -1.410 0.000 -5.948) 6.113 13.331 ( -11.694 0.000 2.668) 11.994 13.528 ( -10.288 0.000 -2.719) 10.641 13.572 ( -2.779 0.000 -0.762) 2.882 13.848 ( 5.607 0.000 3.384) 6.549 14.285 ( 0.259 0.000 -2.731) 2.744 14.717 ( 12.894 0.000 5.904) 14.181 15.229 ( 0.043 0.000 7.037) 7.037 15.527 ( 13.429 0.000 1.651) 13.530 15.705 ( 1.748 0.000 -6.837) 7.057 15.912 ( 10.139 0.000 -8.733) 13.382 16.032 ( 1.891 0.000 -2.467) 3.109 16.150 ( 2.677 0.000 -0.562) 2.735 16.220 ( 1.536 0.000 -0.297) 1.565 16.470 ( -2.373 0.000 0.510) 2.428 16.512 ( -0.751 0.000 0.020) 0.751 ======================= Grid point 73 (28/36) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 2.495 0.000 1.298) 2.813 1.394 ( -1.417 0.000 -2.116) 2.547 1.709 ( 12.689 0.000 7.943) 14.970 1.845 ( 0.452 0.000 2.866) 2.902 1.947 ( 9.200 0.000 -1.925) 9.399 1.978 ( 4.145 0.000 -2.590) 4.888 2.035 ( 1.993 0.000 1.685) 2.610 2.100 ( -0.382 0.000 3.929) 3.947 2.167 ( -3.612 0.000 0.133) 3.615 2.217 ( -6.781 0.000 -1.735) 6.999 2.329 ( 3.572 0.000 0.813) 3.664 2.385 ( 3.324 0.000 2.500) 4.159 2.418 ( -3.477 0.000 -1.905) 3.965 2.500 ( -7.631 0.000 -4.967) 9.105 2.594 ( 3.748 0.000 -2.958) 4.775 2.609 ( 2.600 0.000 -3.678) 4.505 2.661 ( 0.451 0.000 -1.636) 1.697 2.748 ( -4.668 0.000 -0.200) 4.673 2.905 ( 4.845 0.000 -4.191) 6.406 2.964 ( 3.174 0.000 -2.816) 4.243 3.048 ( 0.134 0.000 1.792) 1.797 3.058 ( 0.948 0.000 1.387) 1.681 3.186 ( 2.111 0.000 1.263) 2.460 3.218 ( -1.991 0.000 1.028) 2.241 3.367 ( 5.367 0.000 -1.778) 5.653 3.377 ( 4.679 0.000 0.487) 4.704 3.384 ( 5.728 0.000 -3.506) 6.716 3.426 ( 1.941 0.000 0.529) 2.012 3.483 ( 1.261 0.000 2.304) 2.627 3.528 ( -0.802 0.000 -2.319) 2.453 3.616 ( 3.055 0.000 -0.271) 3.067 3.686 ( 2.333 0.000 2.939) 3.753 3.716 ( 2.527 0.000 -0.976) 2.709 3.795 ( 6.177 0.000 4.817) 7.834 3.823 ( 3.099 0.000 2.774) 4.159 3.875 ( -4.562 0.000 2.422) 5.165 3.932 ( -1.989 0.000 -0.816) 2.150 3.999 ( 0.671 0.000 2.108) 2.212 4.019 ( -1.392 0.000 0.375) 1.441 4.059 ( 0.044 0.000 0.205) 0.209 4.139 ( 7.284 0.000 -0.948) 7.345 4.190 ( 1.007 0.000 -3.941) 4.067 4.255 ( -0.020 0.000 4.149) 4.149 4.283 ( -0.762 0.000 1.929) 2.074 4.342 ( 13.101 0.000 -0.377) 13.106 4.413 ( 7.350 0.000 -0.022) 7.350 4.507 ( -0.604 0.000 -0.963) 1.137 4.517 ( 10.889 0.000 -2.761) 11.234 4.582 ( -6.932 0.000 1.434) 7.079 4.622 ( -1.947 0.000 2.674) 3.308 4.675 ( -5.047 0.000 -0.136) 5.049 4.699 ( 1.906 0.000 -3.697) 4.159 4.716 ( -3.017 0.000 -2.290) 3.788 4.780 ( -6.493 0.000 -2.479) 6.951 4.902 ( -0.362 0.000 2.108) 2.138 4.951 ( -5.717 0.000 1.146) 5.830 4.986 ( 0.911 0.000 2.881) 3.022 5.021 ( 0.234 0.000 1.338) 1.359 5.108 ( -5.177 0.000 1.353) 5.351 5.140 ( -4.540 0.000 -1.058) 4.661 5.266 ( -0.383 0.000 0.430) 0.575 5.299 ( -3.666 0.000 1.525) 3.970 5.425 ( -1.429 0.000 -1.008) 1.748 5.442 ( -3.140 0.000 -2.322) 3.905 5.614 ( 3.936 0.000 2.031) 4.429 5.633 ( 3.772 0.000 0.572) 3.815 5.719 ( -3.013 0.000 3.496) 4.615 5.761 ( -4.468 0.000 1.793) 4.814 5.788 ( -0.899 0.000 1.318) 1.595 5.807 ( 0.258 0.000 0.758) 0.800 5.835 ( 2.802 0.000 -2.964) 4.079 5.922 ( -2.854 0.000 -2.056) 3.517 6.082 ( 6.501 0.000 -3.392) 7.333 6.171 ( 0.009 0.000 -1.562) 1.562 6.189 ( -0.493 0.000 -2.587) 2.634 6.248 ( -2.217 0.000 -1.072) 2.463 6.310 ( 2.242 0.000 1.863) 2.915 6.345 ( -1.901 0.000 2.914) 3.479 6.411 ( -0.710 0.000 -3.557) 3.627 6.468 ( -7.155 0.000 -2.310) 7.519 6.513 ( 1.218 0.000 1.543) 1.966 6.541 ( -1.833 0.000 0.411) 1.878 6.715 ( -1.029 0.000 2.784) 2.968 6.745 ( -3.634 0.000 0.644) 3.691 6.796 ( 0.395 0.000 -3.101) 3.126 6.799 ( -0.305 0.000 -3.106) 3.121 7.117 ( 2.703 0.000 2.025) 3.377 7.152 ( -0.031 0.000 0.942) 0.943 7.315 ( 2.114 0.000 0.159) 2.120 7.362 ( -1.957 0.000 -0.541) 2.031 7.645 ( 0.802 0.000 1.312) 1.537 7.688 ( -2.089 0.000 0.795) 2.235 7.771 ( -0.977 0.000 -1.428) 1.730 7.772 ( -1.325 0.000 -1.585) 2.066 7.818 ( 2.780 0.000 0.115) 2.782 7.834 ( 0.517 0.000 0.171) 0.544 8.049 ( 4.055 0.000 1.440) 4.303 8.109 ( -2.599 0.000 0.686) 2.688 8.374 ( 2.632 0.000 0.355) 2.656 8.429 ( -0.679 0.000 0.384) 0.780 8.504 ( 1.161 0.000 0.906) 1.473 8.537 ( -1.784 0.000 -0.138) 1.789 8.543 ( -1.577 0.000 -2.000) 2.547 8.578 ( -3.975 0.000 -0.253) 3.983 8.772 ( 0.401 0.000 0.865) 0.953 8.778 ( -0.754 0.000 -0.045) 0.755 8.864 ( 2.951 0.000 -1.405) 3.268 8.924 ( -1.918 0.000 0.031) 1.918 9.073 ( 1.497 0.000 2.637) 3.032 9.091 ( -0.906 0.000 2.282) 2.455 9.133 ( 1.541 0.000 0.488) 1.616 9.181 ( -1.472 0.000 0.159) 1.480 9.280 ( 2.958 0.000 1.718) 3.421 9.335 ( 2.619 0.000 -1.691) 3.117 9.340 ( -3.138 0.000 0.802) 3.239 9.388 ( -2.897 0.000 -1.828) 3.425 9.535 ( 2.204 0.000 -2.559) 3.377 9.587 ( -2.759 0.000 -2.356) 3.628 9.637 ( 1.128 0.000 0.129) 1.135 9.651 ( -0.097 0.000 0.136) 0.167 9.695 ( 2.957 0.000 -0.230) 2.966 9.764 ( -3.937 0.000 -0.977) 4.056 9.853 ( 4.328 0.000 -0.415) 4.348 9.900 ( 0.297 0.000 0.036) 0.299 9.961 ( 1.061 0.000 0.266) 1.093 9.969 ( 0.509 0.000 -0.270) 0.576 10.038 ( 3.813 0.000 2.337) 4.473 10.086 ( 2.037 0.000 -0.826) 2.198 10.110 ( -0.572 0.000 0.931) 1.093 10.167 ( -1.245 0.000 1.240) 1.757 10.211 ( -2.850 0.000 -1.623) 3.280 10.245 ( -1.626 0.000 1.850) 2.463 10.400 ( -0.128 0.000 -2.275) 2.279 10.406 ( 1.257 0.000 1.749) 2.154 10.435 ( -1.213 0.000 -1.497) 1.927 10.531 ( -7.878 0.000 0.042) 7.878 10.597 ( 4.653 0.000 -1.665) 4.941 10.657 ( -1.375 0.000 0.928) 1.659 10.698 ( -0.928 0.000 -1.960) 2.168 10.722 ( -3.225 0.000 -0.943) 3.360 11.100 ( 0.809 0.000 2.072) 2.224 11.114 ( -0.497 0.000 0.563) 0.751 11.191 ( 1.675 0.000 0.556) 1.765 11.218 ( -1.701 0.000 -0.962) 1.954 11.303 ( 2.235 0.000 3.481) 4.137 11.362 ( -3.781 0.000 2.596) 4.586 11.433 ( 0.695 0.000 2.026) 2.141 11.455 ( -1.050 0.000 1.029) 1.470 11.674 ( 2.541 0.000 -1.876) 3.158 11.694 ( 0.193 0.000 -1.902) 1.912 11.772 ( 1.390 0.000 0.732) 1.572 11.785 ( -0.315 0.000 -0.206) 0.376 11.955 ( 1.787 0.000 0.651) 1.902 11.993 ( 0.407 0.000 -1.127) 1.198 12.099 ( -0.480 0.000 0.902) 1.022 12.128 ( -4.381 0.000 -2.115) 4.865 12.179 ( 0.440 0.000 0.322) 0.545 12.189 ( -0.793 0.000 -0.575) 0.979 12.417 ( 3.833 0.000 0.179) 3.837 12.449 ( 1.822 0.000 -0.149) 1.828 12.693 ( -1.798 0.000 4.485) 4.832 12.724 ( -4.375 0.000 4.053) 5.964 12.851 ( 1.608 0.000 0.082) 1.610 12.940 ( -7.912 0.000 -3.441) 8.628 13.189 ( 0.463 0.000 3.556) 3.586 13.244 ( -0.870 0.000 0.317) 0.926 13.384 ( -1.362 0.000 -2.586) 2.923 13.471 ( -6.810 0.000 -3.999) 7.897 14.023 ( 10.711 0.000 -0.823) 10.742 14.204 ( -7.764 0.000 -2.773) 8.244 14.963 ( 12.127 0.000 6.259) 13.647 15.151 ( -7.523 0.000 8.163) 11.101 15.683 ( 3.920 0.000 -2.889) 4.869 15.715 ( -0.267 0.000 -3.413) 3.423 16.048 ( 4.078 0.000 -4.998) 6.451 16.073 ( 1.153 0.000 -4.529) 4.673 16.205 ( 2.647 0.000 -0.536) 2.701 16.233 ( -0.239 0.000 -0.733) 0.771 16.458 ( 1.019 0.000 0.760) 1.271 16.490 ( -1.742 0.000 0.672) 1.867 ======================= Grid point 77 (29/36) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 10.425 17.744) 20.580 1.104 ( 0.000 -4.014 21.250) 21.626 1.292 ( 0.000 5.270 -5.665) 7.737 1.419 ( 0.000 4.400 -12.629) 13.373 1.657 ( 0.000 -2.239 -1.936) 2.960 1.724 ( 0.000 -1.130 4.317) 4.462 1.817 ( 0.000 -7.031 -1.036) 7.107 1.839 ( 0.000 -7.541 -9.466) 12.102 1.924 ( 0.000 -1.981 -0.627) 2.078 1.943 ( 0.000 -0.608 -1.451) 1.573 2.163 ( 0.000 -10.066 -5.408) 11.427 2.214 ( 0.000 10.199 15.440) 18.505 2.376 ( 0.000 -7.208 4.719) 8.615 2.454 ( 0.000 -1.714 -4.303) 4.632 2.499 ( 0.000 -6.412 4.643) 7.916 2.651 ( 0.000 -2.767 1.552) 3.173 2.669 ( 0.000 6.771 -3.918) 7.822 2.701 ( 0.000 11.792 4.298) 12.551 2.794 ( 0.000 1.898 -2.331) 3.006 2.842 ( 0.000 1.985 -3.215) 3.778 2.870 ( 0.000 4.997 -5.621) 7.521 2.903 ( 0.000 -1.050 4.953) 5.063 2.970 ( 0.000 6.097 -1.002) 6.179 3.036 ( 0.000 8.557 0.017) 8.557 3.125 ( 0.000 -2.091 -4.504) 4.966 3.271 ( 0.000 0.417 -0.588) 0.721 3.332 ( 0.000 6.765 -3.700) 7.711 3.383 ( 0.000 -1.553 -4.649) 4.902 3.444 ( 0.000 -7.098 0.826) 7.146 3.478 ( 0.000 -0.378 2.016) 2.052 3.517 ( 0.000 -0.426 5.208) 5.225 3.571 ( 0.000 -3.007 4.115) 5.097 3.628 ( 0.000 0.106 -2.185) 2.188 3.702 ( 0.000 -3.512 0.469) 3.543 3.714 ( 0.000 -7.845 1.279) 7.949 3.783 ( 0.000 -3.748 -4.733) 6.038 3.880 ( 0.000 1.762 -1.516) 2.324 3.925 ( 0.000 2.191 2.434) 3.275 3.991 ( 0.000 -6.064 3.116) 6.818 4.046 ( 0.000 2.719 2.962) 4.020 4.053 ( 0.000 0.396 1.082) 1.153 4.114 ( 0.000 5.719 -0.765) 5.770 4.203 ( 0.000 1.121 0.780) 1.366 4.213 ( 0.000 2.655 0.968) 2.826 4.290 ( 0.000 -0.035 -0.060) 0.069 4.310 ( 0.000 1.878 3.990) 4.410 4.381 ( 0.000 1.909 -0.393) 1.949 4.452 ( 0.000 1.383 -5.188) 5.369 4.505 ( 0.000 -2.752 0.482) 2.794 4.573 ( 0.000 -1.666 3.125) 3.541 4.659 ( 0.000 -15.029 -1.098) 15.069 4.684 ( 0.000 1.325 0.427) 1.392 4.831 ( 0.000 -2.976 -1.316) 3.254 4.912 ( 0.000 -3.910 -0.408) 3.931 4.956 ( 0.000 0.458 0.855) 0.970 5.028 ( 0.000 -6.500 0.439) 6.514 5.079 ( 0.000 -2.151 0.227) 2.163 5.090 ( 0.000 -3.078 1.159) 3.289 5.137 ( 0.000 3.756 0.929) 3.870 5.252 ( 0.000 -4.139 -3.023) 5.126 5.311 ( 0.000 2.742 -1.223) 3.002 5.388 ( 0.000 0.151 -1.062) 1.072 5.412 ( 0.000 -0.358 -3.320) 3.339 5.461 ( 0.000 2.554 -1.414) 2.920 5.566 ( 0.000 0.958 -1.097) 1.457 5.642 ( 0.000 0.385 -1.632) 1.677 5.705 ( 0.000 -0.898 -0.460) 1.009 5.801 ( 0.000 1.398 0.809) 1.616 5.834 ( 0.000 -3.407 0.083) 3.408 5.893 ( 0.000 -0.875 -0.454) 0.986 6.000 ( 0.000 5.832 -2.760) 6.452 6.085 ( 0.000 2.660 1.614) 3.112 6.100 ( 0.000 1.813 -0.087) 1.815 6.228 ( 0.000 -1.207 0.084) 1.210 6.304 ( 0.000 -1.134 3.864) 4.027 6.326 ( 0.000 4.020 0.532) 4.055 6.362 ( 0.000 2.106 -2.083) 2.962 6.385 ( 0.000 17.633 -3.662) 18.009 6.449 ( 0.000 4.099 -0.345) 4.113 6.510 ( 0.000 -1.041 1.440) 1.777 6.681 ( 0.000 -3.249 -0.393) 3.272 6.704 ( 0.000 -3.851 -2.399) 4.537 6.783 ( 0.000 2.990 0.943) 3.135 6.812 ( 0.000 1.246 -0.215) 1.264 6.865 ( 0.000 -4.348 0.315) 4.359 6.899 ( 0.000 1.192 0.033) 1.192 6.956 ( 0.000 3.047 -0.367) 3.069 7.189 ( 0.000 -0.973 1.672) 1.935 7.323 ( 0.000 2.534 3.933) 4.679 7.458 ( 0.000 1.520 -0.369) 1.564 7.610 ( 0.000 -1.595 0.950) 1.857 7.656 ( 0.000 1.497 -1.824) 2.360 7.734 ( 0.000 1.698 -0.133) 1.703 7.806 ( 0.000 1.611 -1.556) 2.240 7.858 ( 0.000 0.953 0.046) 0.954 7.905 ( 0.000 0.267 -0.687) 0.737 7.936 ( 0.000 0.711 0.280) 0.764 8.001 ( 0.000 0.129 -0.060) 0.142 8.286 ( 0.000 -5.704 -0.255) 5.710 8.301 ( 0.000 -7.359 -2.147) 7.665 8.450 ( 0.000 -2.381 -0.060) 2.381 8.639 ( 0.000 -6.913 -0.531) 6.934 8.664 ( 0.000 -0.879 0.652) 1.094 8.706 ( 0.000 3.583 0.265) 3.592 8.802 ( 0.000 0.191 0.528) 0.562 8.845 ( 0.000 -2.389 2.456) 3.426 8.912 ( 0.000 -0.939 -2.018) 2.226 9.014 ( 0.000 1.023 1.993) 2.240 9.075 ( 0.000 1.075 -2.370) 2.602 9.123 ( 0.000 -1.159 0.233) 1.182 9.151 ( 0.000 2.945 2.316) 3.746 9.192 ( 0.000 1.157 -1.043) 1.558 9.206 ( 0.000 1.816 0.205) 1.827 9.233 ( 0.000 3.454 -1.794) 3.892 9.400 ( 0.000 0.767 2.863) 2.964 9.444 ( 0.000 -3.009 0.867) 3.132 9.478 ( 0.000 1.081 1.417) 1.782 9.528 ( 0.000 -3.465 7.152) 7.947 9.573 ( 0.000 -2.460 3.499) 4.277 9.648 ( 0.000 -2.167 1.144) 2.450 9.668 ( 0.000 -1.449 -4.511) 4.738 9.718 ( 0.000 0.985 3.328) 3.471 9.730 ( 0.000 -1.228 -2.362) 2.662 9.799 ( 0.000 -1.175 -1.726) 2.088 9.858 ( 0.000 -0.775 0.170) 0.793 9.938 ( 0.000 2.891 -1.659) 3.334 9.964 ( 0.000 -0.384 -3.407) 3.429 10.038 ( 0.000 -0.259 -1.355) 1.380 10.099 ( 0.000 0.495 -2.319) 2.371 10.166 ( 0.000 0.771 1.007) 1.268 10.186 ( 0.000 1.553 -1.103) 1.904 10.207 ( 0.000 1.824 -0.410) 1.869 10.369 ( 0.000 0.054 0.117) 0.129 10.450 ( 0.000 -0.389 5.016) 5.031 10.541 ( 0.000 -1.518 -4.001) 4.279 10.627 ( 0.000 -1.028 2.361) 2.575 10.690 ( 0.000 0.099 -1.109) 1.114 10.832 ( 0.000 -1.230 3.381) 3.598 10.856 ( 0.000 2.679 0.012) 2.679 10.946 ( 0.000 -1.067 1.313) 1.692 10.958 ( 0.000 -2.114 -1.766) 2.755 11.059 ( 0.000 1.175 -1.326) 1.772 11.116 ( 0.000 -0.725 0.873) 1.135 11.254 ( 0.000 3.121 1.875) 3.641 11.303 ( 0.000 2.994 -3.054) 4.277 11.435 ( 0.000 -7.666 1.214) 7.761 11.457 ( 0.000 0.801 1.417) 1.628 11.556 ( 0.000 2.693 0.254) 2.705 11.647 ( 0.000 -4.056 -1.108) 4.204 11.735 ( 0.000 -0.543 0.583) 0.796 11.774 ( 0.000 0.060 0.071) 0.093 11.816 ( 0.000 1.030 -1.006) 1.440 11.874 ( 0.000 -2.170 1.623) 2.710 11.972 ( 0.000 8.087 -0.063) 8.087 12.069 ( 0.000 4.135 1.481) 4.392 12.136 ( 0.000 -3.380 -0.020) 3.380 12.279 ( 0.000 2.873 -0.531) 2.922 12.338 ( 0.000 2.664 -2.297) 3.518 12.361 ( 0.000 5.520 -2.516) 6.066 12.688 ( 0.000 2.867 -1.449) 3.212 12.755 ( 0.000 6.312 0.170) 6.315 12.897 ( 0.000 -1.730 -2.102) 2.722 13.038 ( 0.000 -8.529 2.247) 8.820 13.319 ( 0.000 -4.167 5.494) 6.895 13.401 ( 0.000 -1.792 -1.468) 2.316 13.499 ( 0.000 -0.303 -7.990) 7.996 13.698 ( 0.000 -1.393 3.598) 3.858 13.752 ( 0.000 4.777 0.271) 4.785 13.835 ( 0.000 -6.146 -1.774) 6.397 14.177 ( 0.000 -6.906 3.621) 7.797 14.567 ( 0.000 11.771 13.774) 18.118 14.812 ( 0.000 11.564 -8.224) 14.191 15.041 ( 0.000 -1.338 -1.260) 1.838 15.498 ( 0.000 -5.245 -4.678) 7.029 15.786 ( 0.000 1.955 -0.739) 2.089 15.980 ( 0.000 -3.801 -1.130) 3.965 16.146 ( 0.000 2.630 0.546) 2.686 16.170 ( 0.000 1.425 -1.308) 1.934 16.484 ( 0.000 -1.851 1.067) 2.136 16.543 ( 0.000 -5.033 -0.198) 5.037 ======================= Grid point 78 (30/36) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 4.796 -3.541 14.529) 15.704 1.260 ( 15.250 7.727 14.248) 22.254 1.341 ( 4.359 3.583 -2.689) 6.251 1.572 ( 12.261 5.033 -11.112) 17.295 1.686 ( 2.858 -2.600 2.475) 4.589 1.777 ( 5.292 0.422 -1.681) 5.569 1.857 ( 2.839 -5.831 -10.367) 12.228 1.933 ( 6.699 -7.194 2.608) 10.170 2.008 ( 10.574 -3.885 -1.330) 11.343 2.036 ( 10.168 -3.033 -2.364) 10.871 2.132 ( 0.117 -2.188 -1.203) 2.499 2.263 ( 3.276 4.991 10.619) 12.182 2.426 ( 4.157 -2.393 5.056) 6.969 2.498 ( 0.716 0.058 -0.081) 0.723 2.538 ( 4.925 2.046 -2.463) 5.874 2.621 ( -0.399 -2.126 0.093) 2.165 2.696 ( 4.546 0.761 0.995) 4.715 2.772 ( 2.723 6.669 1.854) 7.438 2.815 ( 3.003 4.412 2.602) 5.937 2.873 ( 2.919 0.350 -1.527) 3.312 2.911 ( 2.025 1.178 -2.715) 3.586 2.942 ( 3.861 3.189 -2.532) 5.611 2.955 ( 0.093 0.661 1.420) 1.569 3.091 ( 1.791 2.627 -4.041) 5.142 3.121 ( 1.727 0.892 -2.876) 3.471 3.233 ( -1.979 1.054 2.512) 3.368 3.316 ( 0.152 0.619 -4.849) 4.891 3.422 ( 0.842 0.280 1.772) 1.982 3.446 ( 1.454 -2.526 1.742) 3.396 3.479 ( 1.164 -1.973 1.967) 3.019 3.512 ( 0.311 -3.028 1.388) 3.346 3.559 ( -1.970 -0.140 -0.688) 2.091 3.601 ( -0.135 0.071 0.662) 0.679 3.727 ( 0.377 -5.914 -1.573) 6.131 3.774 ( 5.192 -1.652 -0.843) 5.513 3.788 ( 2.002 -2.325 -0.905) 3.199 3.865 ( -1.375 0.010 0.279) 1.403 3.907 ( -0.691 2.563 -0.321) 2.674 3.975 ( -0.841 3.364 0.391) 3.489 4.038 ( 0.961 -4.466 1.993) 4.984 4.059 ( 0.007 -1.368 3.958) 4.187 4.120 ( -2.307 1.225 -2.065) 3.330 4.203 ( 4.185 2.450 -0.075) 4.850 4.241 ( -0.514 -0.711 1.431) 1.679 4.293 ( 0.150 1.955 -0.637) 2.062 4.307 ( -0.679 0.022 3.973) 4.030 4.378 ( -0.459 0.290 0.282) 0.612 4.433 ( -1.628 2.772 -3.294) 4.603 4.507 ( 1.655 -5.206 -0.180) 5.466 4.558 ( -0.214 -3.458 -0.041) 3.465 4.664 ( 1.146 -6.842 2.959) 7.542 4.734 ( 0.299 -5.566 -2.108) 5.959 4.800 ( 1.884 2.964 -0.778) 3.597 4.901 ( -0.699 0.680 -0.664) 1.180 4.954 ( -3.208 -1.035 0.838) 3.474 4.995 ( 0.375 -1.495 0.884) 1.777 5.026 ( -3.109 -1.660 -1.190) 3.720 5.151 ( 2.498 -2.964 1.696) 4.231 5.169 ( 1.144 0.751 1.179) 1.806 5.266 ( -0.081 -2.676 -1.363) 3.005 5.303 ( -1.797 2.129 -1.012) 2.964 5.379 ( 2.827 -3.990 -0.952) 4.981 5.449 ( 0.900 0.708 -2.057) 2.354 5.486 ( 2.600 2.052 -0.995) 3.459 5.560 ( -0.087 2.320 -1.255) 2.639 5.651 ( 0.118 1.896 -1.662) 2.524 5.717 ( 0.727 -0.236 0.457) 0.891 5.786 ( 0.101 0.736 0.019) 0.743 5.845 ( -0.666 -2.273 0.292) 2.387 5.872 ( -1.030 1.233 -1.426) 2.148 5.974 ( -2.471 4.283 -2.931) 5.748 6.091 ( -0.215 5.539 1.403) 5.718 6.112 ( -0.779 5.658 0.380) 5.724 6.198 ( -2.602 0.872 0.819) 2.863 6.247 ( -0.750 1.577 0.350) 1.781 6.285 ( -3.028 0.991 0.632) 3.248 6.346 ( -0.996 2.503 -1.694) 3.182 6.394 ( -0.979 2.173 1.269) 2.700 6.426 ( -7.336 3.076 1.476) 8.091 6.530 ( 3.218 1.881 -0.708) 3.794 6.658 ( -3.495 -4.185 -0.117) 5.453 6.711 ( -0.173 -1.262 0.031) 1.275 6.750 ( -0.937 0.783 1.006) 1.582 6.812 ( -0.490 1.063 -3.142) 3.353 6.859 ( -0.831 -0.148 0.280) 0.889 6.903 ( -2.937 -0.186 -0.224) 2.952 6.936 ( 2.542 -0.505 -0.640) 2.670 7.143 ( -4.242 -1.731 2.035) 5.013 7.304 ( -1.516 0.974 2.714) 3.258 7.472 ( -1.521 1.062 -1.062) 2.137 7.607 ( 1.115 0.062 0.140) 1.125 7.661 ( 2.266 1.541 -0.916) 2.889 7.749 ( 1.045 1.975 -0.351) 2.262 7.798 ( -0.405 1.597 -0.868) 1.862 7.850 ( -1.163 0.583 -0.582) 1.425 7.887 ( -1.869 -0.082 -0.161) 1.878 7.921 ( 0.952 1.912 -0.012) 2.136 8.079 ( 4.282 -1.659 -0.512) 4.621 8.252 ( -0.628 -7.291 -0.965) 7.381 8.357 ( 2.026 -5.769 -0.557) 6.140 8.451 ( 1.111 -0.182 -0.452) 1.213 8.606 ( -3.032 -3.428 0.797) 4.645 8.664 ( 0.425 -1.408 -0.574) 1.579 8.706 ( -3.236 2.642 0.672) 4.232 8.775 ( 0.241 0.446 2.078) 2.139 8.826 ( -0.821 -0.461 -1.479) 1.754 8.912 ( -0.913 -0.730 1.961) 2.283 8.986 ( -3.350 0.753 -0.367) 3.454 9.068 ( -1.677 0.176 0.670) 1.814 9.088 ( -1.020 0.952 -0.711) 1.566 9.134 ( -0.227 0.031 -1.139) 1.161 9.168 ( -0.671 0.858 0.825) 1.367 9.188 ( -0.733 1.021 -0.702) 1.440 9.287 ( 3.352 2.478 0.589) 4.209 9.396 ( -1.105 -0.918 2.373) 2.774 9.458 ( -0.962 -0.889 1.879) 2.290 9.478 ( 1.349 -1.729 1.229) 2.514 9.583 ( 3.217 -1.848 1.724) 4.091 9.585 ( 1.143 -1.948 2.664) 3.492 9.635 ( 0.819 -0.616 1.508) 1.823 9.700 ( 0.866 0.636 -2.271) 2.512 9.716 ( 0.028 0.188 -0.915) 0.934 9.750 ( 2.486 -1.080 0.924) 2.863 9.802 ( 1.489 -0.535 -2.026) 2.570 9.862 ( 1.368 -1.194 0.677) 1.938 9.952 ( 0.306 -1.283 -2.467) 2.797 10.001 ( 1.882 -0.746 -2.563) 3.266 10.050 ( 0.836 0.293 -0.842) 1.222 10.090 ( -1.868 1.012 -1.887) 2.841 10.139 ( 0.993 -0.218 0.120) 1.024 10.212 ( 1.902 0.798 0.237) 2.077 10.229 ( 1.570 2.477 -0.064) 2.933 10.368 ( -0.800 -1.714 0.392) 1.931 10.441 ( -1.114 -0.752 3.690) 3.927 10.521 ( -1.630 0.324 -3.306) 3.701 10.599 ( -2.175 0.469 1.555) 2.714 10.688 ( -0.871 -0.857 -0.541) 1.337 10.774 ( -5.463 -3.915 0.922) 6.784 10.845 ( -0.961 4.495 -0.585) 4.634 10.906 ( -3.191 1.562 0.122) 3.554 11.006 ( 2.797 -2.113 1.477) 3.804 11.066 ( 1.177 0.208 -1.388) 1.832 11.125 ( 1.003 -0.086 1.457) 1.771 11.249 ( 0.220 2.322 2.318) 3.289 11.336 ( 2.329 2.250 -2.623) 4.168 11.422 ( -1.566 -4.008 0.991) 4.416 11.444 ( -0.702 -1.807 1.343) 2.358 11.512 ( -4.300 0.745 0.303) 4.374 11.646 ( 0.527 -0.783 -0.846) 1.267 11.739 ( -1.808 2.327 0.302) 2.963 11.764 ( 0.141 -0.133 1.330) 1.344 11.821 ( -0.471 -0.091 -1.663) 1.731 11.864 ( 1.889 -1.014 1.312) 2.514 11.994 ( 2.339 4.643 0.550) 5.228 12.088 ( 0.597 2.449 1.045) 2.729 12.166 ( 2.261 0.573 -0.163) 2.338 12.266 ( 0.300 2.954 -1.180) 3.195 12.318 ( -0.535 7.672 0.396) 7.700 12.422 ( 1.851 5.056 -1.800) 5.677 12.584 ( -11.180 5.294 -0.101) 12.371 12.698 ( -0.686 0.044 -1.077) 1.277 12.837 ( -7.258 -7.480 0.021) 10.422 12.997 ( -0.978 -0.660 1.124) 1.630 13.259 ( -8.059 5.748 0.172) 9.901 13.380 ( -9.270 -7.119 1.547) 11.790 13.427 ( -8.128 -1.196 -0.381) 8.225 13.471 ( -1.385 -5.903 -2.036) 6.396 13.734 ( -3.990 5.279 -2.417) 7.045 13.886 ( -7.895 -5.311 0.458) 9.526 14.235 ( 12.182 0.987 7.179) 14.174 14.463 ( -1.636 0.461 -0.310) 1.728 15.059 ( 5.243 -7.195 5.796) 10.623 15.232 ( 22.974 7.720 -3.675) 24.514 15.630 ( 11.666 0.687 -7.914) 14.114 15.796 ( 2.008 1.379 -1.557) 2.892 15.968 ( -0.876 -4.012 -1.150) 4.264 16.153 ( 1.102 2.371 -0.234) 2.625 16.195 ( 1.946 1.207 -0.582) 2.363 16.480 ( -0.732 -2.279 1.011) 2.598 16.520 ( -1.602 -2.741 -0.206) 3.182 ======================= Grid point 79 (31/36) ======================= q-point: ( 0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 8.354 -4.173 7.253) 11.824 1.419 ( 3.611 3.598 -3.218) 6.028 1.530 ( 11.278 7.269 9.285) 16.317 1.720 ( 6.438 0.098 4.586) 7.905 1.818 ( 8.257 1.513 -4.608) 9.576 1.902 ( 8.299 2.052 -3.549) 9.256 1.947 ( 5.247 -4.042 -4.835) 8.200 2.004 ( 0.968 -3.569 -1.739) 4.086 2.121 ( 5.000 -6.032 -3.588) 8.618 2.239 ( 7.737 0.700 3.204) 8.403 2.300 ( 6.388 -2.506 3.886) 7.886 2.349 ( 9.385 -1.674 -2.449) 9.843 2.434 ( -2.777 4.989 3.087) 6.491 2.504 ( -1.632 2.032 -0.357) 2.631 2.558 ( -2.044 2.037 -4.288) 5.169 2.684 ( -0.052 3.667 2.425) 4.396 2.764 ( 3.734 2.986 1.645) 5.056 2.796 ( 0.423 1.433 2.841) 3.209 2.845 ( 0.073 -1.438 -0.545) 1.540 2.928 ( 3.131 4.132 -3.210) 6.097 2.949 ( 3.211 -3.738 -1.423) 5.129 3.002 ( 3.384 2.770 -0.002) 4.374 3.057 ( 7.624 -1.234 0.915) 7.777 3.124 ( 5.871 -3.723 -4.877) 8.492 3.179 ( 4.027 -1.122 1.698) 4.512 3.254 ( 2.967 0.759 3.234) 4.454 3.359 ( 3.323 -2.212 -0.117) 3.994 3.385 ( -1.750 -0.006 -0.068) 1.751 3.450 ( -0.437 -5.975 2.132) 6.359 3.509 ( 1.767 -1.415 -2.396) 3.296 3.546 ( 2.564 3.752 -1.241) 4.711 3.617 ( 5.788 -4.753 1.549) 7.648 3.642 ( 3.605 0.900 2.495) 4.476 3.741 ( 0.563 2.700 0.093) 2.759 3.790 ( -0.873 -2.667 1.295) 3.091 3.824 ( -0.288 -2.670 1.729) 3.193 3.880 ( 2.683 -0.281 0.431) 2.732 3.951 ( 4.800 1.256 -3.648) 6.159 3.996 ( 5.528 -0.196 -0.928) 5.609 4.045 ( -0.124 0.353 0.525) 0.645 4.104 ( 1.809 -4.454 1.570) 5.057 4.129 ( 2.123 -0.816 -3.551) 4.217 4.172 ( -1.695 -4.720 -1.016) 5.117 4.269 ( -1.202 -0.831 3.284) 3.594 4.272 ( 2.565 2.095 0.834) 3.416 4.326 ( 2.560 1.782 1.133) 3.318 4.381 ( 0.962 -1.495 -0.989) 2.034 4.420 ( 0.980 1.765 -1.312) 2.408 4.554 ( 2.114 -3.005 0.754) 3.751 4.604 ( 4.486 -2.903 -2.679) 5.977 4.676 ( -2.506 -1.717 0.149) 3.041 4.727 ( 2.858 -2.067 0.756) 3.608 4.835 ( -3.945 3.657 1.254) 5.524 4.876 ( -1.006 1.546 -0.467) 1.903 4.918 ( 2.131 -1.433 -0.843) 2.703 4.980 ( -1.069 -1.341 -1.391) 2.208 5.015 ( 0.085 3.492 1.747) 3.905 5.142 ( -2.331 -2.610 2.441) 4.267 5.163 ( -1.757 3.204 0.621) 3.707 5.228 ( -3.346 0.252 -0.424) 3.382 5.283 ( -1.239 0.034 0.255) 1.266 5.407 ( -4.463 -0.455 -0.248) 4.493 5.438 ( 0.804 -3.930 -0.644) 4.062 5.522 ( 0.852 -2.333 0.932) 2.653 5.571 ( 0.067 5.149 -0.726) 5.201 5.642 ( -1.546 5.022 -0.900) 5.331 5.717 ( 0.300 -0.643 0.144) 0.724 5.775 ( -3.225 -1.810 -0.271) 3.708 5.831 ( 1.433 3.962 1.173) 4.373 5.863 ( -1.853 1.365 -2.030) 3.069 5.936 ( -0.537 5.177 -1.334) 5.373 6.035 ( -4.022 8.797 0.996) 9.724 6.060 ( -5.724 2.634 -1.020) 6.383 6.154 ( -1.470 -0.154 0.092) 1.481 6.225 ( 0.056 -0.597 0.174) 0.625 6.273 ( -1.692 0.720 0.985) 2.086 6.321 ( 1.338 -0.036 0.640) 1.483 6.331 ( -0.633 2.432 -0.654) 2.596 6.389 ( -0.037 -2.064 0.007) 2.065 6.533 ( -2.631 1.222 0.193) 2.907 6.575 ( -4.856 -2.906 -0.889) 5.729 6.659 ( -5.195 1.799 0.084) 5.499 6.727 ( -2.001 -2.339 1.796) 3.564 6.774 ( -3.120 -0.466 -0.615) 3.214 6.839 ( -0.355 2.778 -1.204) 3.048 6.856 ( -1.988 1.554 -2.467) 3.530 7.016 ( 3.374 -4.695 -0.268) 5.787 7.089 ( 0.703 -3.217 1.619) 3.669 7.279 ( -1.096 -0.899 1.195) 1.854 7.396 ( -4.284 -0.662 -0.808) 4.409 7.644 ( 1.410 0.188 0.906) 1.687 7.743 ( 2.698 2.902 0.284) 3.972 7.763 ( 1.590 2.466 -0.194) 2.940 7.785 ( -0.941 -0.278 -1.198) 1.548 7.823 ( -0.754 1.880 -1.385) 2.454 7.859 ( -0.610 1.335 -0.055) 1.468 7.966 ( 3.315 0.376 0.561) 3.383 8.107 ( -0.832 -3.831 -0.752) 3.992 8.276 ( 2.569 -5.928 -0.367) 6.471 8.352 ( -1.548 -4.512 -0.450) 4.791 8.484 ( 0.668 -1.102 0.176) 1.301 8.556 ( -1.719 -0.783 0.037) 1.890 8.618 ( -4.304 -0.725 0.287) 4.374 8.675 ( -0.626 1.976 -0.247) 2.088 8.781 ( 0.888 2.831 1.428) 3.293 8.818 ( -0.038 2.768 -1.819) 3.312 8.898 ( -2.174 1.690 1.770) 3.274 8.953 ( 0.848 -1.938 1.330) 2.499 8.996 ( -2.039 0.688 -1.007) 2.376 9.104 ( 0.409 -2.233 1.624) 2.791 9.136 ( -0.796 0.595 -0.636) 1.180 9.173 ( 1.767 0.720 0.071) 1.909 9.208 ( 2.143 -0.423 -0.787) 2.322 9.328 ( -1.396 -2.325 1.766) 3.236 9.347 ( -0.889 -0.711 -0.055) 1.139 9.443 ( -0.286 2.422 1.259) 2.744 9.509 ( 0.902 -0.757 -0.147) 1.187 9.586 ( 1.072 -1.824 0.097) 2.118 9.635 ( 1.423 -1.474 0.286) 2.069 9.651 ( -0.087 1.326 -0.344) 1.372 9.696 ( -0.370 2.896 0.810) 3.030 9.756 ( 3.799 -0.482 -0.350) 3.845 9.803 ( 1.582 -1.582 0.396) 2.272 9.840 ( 2.422 -0.635 -1.360) 2.850 9.906 ( 3.186 -1.399 0.673) 3.544 9.967 ( 1.220 -1.603 -1.410) 2.459 10.001 ( -1.623 0.780 -2.018) 2.704 10.039 ( -0.511 -0.508 0.219) 0.754 10.070 ( 0.679 -2.299 -1.983) 3.111 10.168 ( -0.806 -1.779 1.081) 2.232 10.245 ( 0.708 0.475 2.464) 2.607 10.277 ( 3.672 -0.198 -1.301) 3.901 10.329 ( -2.570 -0.286 -0.688) 2.676 10.389 ( -3.188 -3.866 0.228) 5.016 10.485 ( -3.286 0.137 0.399) 3.313 10.592 ( 1.770 3.402 -0.017) 3.835 10.648 ( -2.918 -1.731 -0.625) 3.450 10.675 ( -4.453 -1.902 -1.429) 5.049 10.787 ( -5.902 2.920 -0.949) 6.653 10.829 ( -3.705 2.702 0.518) 4.615 11.054 ( 2.020 -1.520 1.447) 2.912 11.094 ( 1.424 -0.538 0.202) 1.535 11.155 ( 2.279 0.982 1.557) 2.930 11.268 ( 1.475 1.580 2.552) 3.344 11.348 ( -2.429 2.625 0.786) 3.662 11.388 ( -1.543 0.237 -2.030) 2.560 11.428 ( -1.409 -3.885 2.772) 4.976 11.449 ( -0.091 -0.109 0.419) 0.443 11.673 ( 1.579 0.667 -0.831) 1.905 11.706 ( -0.689 3.496 -0.624) 3.617 11.767 ( 0.282 0.457 0.899) 1.047 11.821 ( 1.428 3.428 -0.286) 3.724 11.912 ( 1.365 -2.217 1.096) 2.825 12.042 ( 2.507 3.683 0.853) 4.537 12.081 ( -1.480 0.108 -0.370) 1.530 12.187 ( 0.038 4.836 -0.049) 4.836 12.279 ( 0.886 7.518 -0.762) 7.608 12.323 ( -6.486 5.317 0.632) 8.411 12.373 ( 4.557 1.368 1.287) 4.928 12.455 ( -3.288 6.392 -1.936) 7.444 12.706 ( -4.464 -4.550 0.487) 6.393 12.750 ( 2.074 -4.717 4.760) 7.015 12.895 ( -8.248 0.328 0.297) 8.260 13.103 ( -11.388 -1.334 -1.460) 11.558 13.193 ( -1.093 2.544 -4.909) 5.636 13.319 ( -7.366 -0.863 0.938) 7.475 13.486 ( -0.745 -7.526 2.721) 8.038 13.540 ( -8.782 -0.534 -1.729) 8.966 13.858 ( 2.963 1.953 -2.275) 4.216 14.302 ( -5.400 -0.615 1.181) 5.561 14.614 ( 14.981 -6.358 0.842) 16.296 15.094 ( -0.637 -12.029 6.497) 13.687 15.598 ( 13.508 7.120 -2.304) 15.442 15.746 ( 1.199 3.068 -2.119) 3.916 15.937 ( 9.330 1.027 -5.884) 11.078 15.973 ( 2.544 -4.458 -2.011) 5.513 16.190 ( 2.723 2.379 -0.730) 3.689 16.230 ( 1.797 1.000 -0.589) 2.139 16.458 ( -0.903 -0.861 0.571) 1.372 16.504 ( -0.514 -0.867 0.415) 1.090 ======================= Grid point 80 (32/36) ======================= q-point: ( 0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 5.119 1.283 1.135) 5.398 1.441 ( -1.331 3.865 -1.352) 4.305 1.733 ( 11.012 2.472 4.349) 12.095 1.843 ( 3.746 1.330 3.893) 5.564 1.909 ( 0.811 0.022 -1.852) 2.022 1.954 ( -2.717 -4.922 -1.917) 5.940 2.046 ( 6.477 -3.121 4.075) 8.264 2.118 ( 9.435 7.504 0.165) 12.057 2.176 ( -1.582 -2.861 -0.155) 3.273 2.285 ( -4.011 1.713 3.675) 5.703 2.321 ( -0.567 2.354 -0.308) 2.441 2.381 ( -3.226 -1.872 -3.337) 5.005 2.409 ( 2.352 0.034 2.355) 3.329 2.495 ( -2.794 -0.066 -2.033) 3.456 2.582 ( 3.070 1.890 -6.047) 7.041 2.596 ( -0.075 1.458 -5.321) 5.518 2.734 ( -3.966 5.845 2.657) 7.546 2.754 ( -4.572 1.051 -0.253) 4.698 2.942 ( 5.311 -1.062 -1.013) 5.510 2.984 ( 1.014 0.034 -1.719) 1.996 3.002 ( 2.370 -1.954 -0.275) 3.084 3.032 ( -0.384 -2.880 -0.448) 2.939 3.178 ( 3.407 0.746 0.496) 3.523 3.198 ( 0.364 -0.844 0.588) 1.091 3.274 ( 4.833 -5.907 -3.496) 8.395 3.329 ( 1.351 -1.378 -0.505) 1.995 3.371 ( 4.351 -4.444 2.962) 6.888 3.454 ( 1.339 1.763 3.251) 3.933 3.474 ( 3.396 -2.039 -0.168) 3.965 3.558 ( 3.918 -3.712 -1.897) 5.721 3.590 ( -2.054 1.422 -0.343) 2.522 3.655 ( -1.084 -2.134 0.317) 2.414 3.690 ( 5.290 -2.365 1.732) 6.048 3.764 ( 3.352 -2.323 1.266) 4.270 3.797 ( 1.399 -0.339 2.011) 2.473 3.835 ( -0.280 -4.827 1.988) 5.228 3.921 ( -3.138 -3.282 -1.247) 4.709 3.934 ( -6.996 -3.279 0.322) 7.733 4.016 ( 4.670 -0.384 0.486) 4.711 4.102 ( 1.177 2.037 0.650) 2.440 4.135 ( 5.397 -1.418 -0.088) 5.581 4.198 ( 1.138 0.933 -2.258) 2.695 4.242 ( 2.523 -2.294 2.869) 4.457 4.292 ( 0.243 -1.895 3.262) 3.780 4.342 ( 5.328 2.311 -2.716) 6.412 4.378 ( 7.662 -0.395 -1.295) 7.781 4.440 ( 2.642 -1.034 -3.973) 4.881 4.486 ( 6.302 -2.791 -1.000) 6.965 4.548 ( -4.260 -0.527 0.388) 4.310 4.631 ( 3.861 0.619 0.943) 4.023 4.668 ( -2.054 0.310 1.888) 2.807 4.727 ( -5.648 1.240 -1.838) 6.068 4.778 ( -0.053 3.613 -1.359) 3.860 4.826 ( -4.570 2.807 -1.876) 5.682 4.932 ( 0.139 0.457 2.074) 2.128 4.964 ( -2.935 0.174 0.363) 2.963 5.024 ( 2.793 5.683 1.310) 6.466 5.091 ( -2.778 0.788 1.888) 3.450 5.129 ( -0.971 5.080 0.496) 5.196 5.156 ( -3.443 3.060 0.254) 4.613 5.266 ( 0.613 0.057 0.839) 1.040 5.304 ( -3.614 0.287 1.298) 3.851 5.430 ( -0.578 -2.226 -0.903) 2.471 5.483 ( -6.090 3.291 -1.246) 7.033 5.574 ( 4.080 -3.240 2.265) 5.681 5.641 ( 0.581 0.231 3.066) 3.129 5.692 ( -3.479 -1.824 0.579) 3.970 5.709 ( -3.083 -3.789 0.822) 4.954 5.821 ( -0.069 2.399 -1.199) 2.683 5.864 ( -2.268 4.474 1.158) 5.148 5.902 ( 1.259 6.769 -0.366) 6.894 5.953 ( -2.866 2.822 -1.648) 4.346 6.090 ( 6.287 1.295 -1.897) 6.693 6.165 ( 1.366 -0.350 0.338) 1.450 6.195 ( -3.140 1.316 -3.039) 4.563 6.227 ( -2.482 -1.621 -0.403) 2.992 6.349 ( 0.729 1.228 -0.565) 1.536 6.368 ( 1.647 3.232 1.333) 3.865 6.418 ( 1.862 -0.982 -0.476) 2.158 6.436 ( -2.523 -1.320 -1.933) 3.442 6.512 ( -2.490 1.047 0.463) 2.741 6.558 ( -5.042 0.419 0.292) 5.068 6.687 ( -0.654 -1.718 1.371) 2.294 6.717 ( -2.904 -0.754 0.664) 3.073 6.832 ( -0.007 2.235 -2.696) 3.502 6.838 ( -0.359 2.989 -3.265) 4.441 7.069 ( 3.383 -4.223 1.434) 5.598 7.118 ( -0.626 -4.138 1.568) 4.469 7.281 ( 2.070 -2.852 -0.401) 3.547 7.336 ( -2.846 -2.563 -0.568) 3.872 7.658 ( 0.582 1.027 1.070) 1.593 7.690 ( -3.078 0.881 0.714) 3.280 7.787 ( 0.790 2.055 -1.159) 2.488 7.807 ( -1.140 1.904 -0.561) 2.289 7.842 ( 2.824 2.261 0.068) 3.618 7.863 ( 0.282 2.585 0.145) 2.605 8.030 ( 3.171 -1.858 1.365) 3.921 8.078 ( -1.955 -3.112 0.478) 3.706 8.319 ( 1.428 -6.203 -0.236) 6.370 8.332 ( -0.275 -5.899 -1.200) 6.026 8.472 ( -0.201 -0.988 0.059) 1.010 8.509 ( -3.448 -0.394 0.212) 3.477 8.591 ( 1.476 2.362 -1.007) 2.961 8.639 ( -2.964 2.085 -0.056) 3.625 8.802 ( 0.889 2.637 0.543) 2.835 8.816 ( -0.537 2.829 0.425) 2.910 8.888 ( 2.017 2.765 -0.551) 3.467 8.933 ( -2.173 1.156 0.285) 2.477 9.035 ( 3.779 -2.618 0.901) 4.684 9.094 ( -1.958 -1.777 0.363) 2.668 9.131 ( 1.347 -0.014 1.851) 2.290 9.184 ( -2.461 -0.265 1.934) 3.142 9.240 ( 1.458 -1.145 -1.033) 2.123 9.265 ( -1.667 -3.814 -1.709) 4.499 9.389 ( 2.856 1.796 0.618) 3.430 9.432 ( -1.410 2.670 1.028) 3.190 9.530 ( 2.311 -0.097 -1.802) 2.932 9.591 ( -2.837 -0.149 -0.549) 2.893 9.636 ( 1.024 -0.025 -0.776) 1.285 9.651 ( 0.055 0.245 0.301) 0.392 9.713 ( 2.040 1.485 -0.026) 2.524 9.767 ( -3.081 0.369 -0.247) 3.113 9.849 ( 3.911 -0.458 -0.297) 3.949 9.883 ( 0.891 -1.279 -0.766) 1.737 9.953 ( 1.183 -0.607 -0.251) 1.353 9.967 ( -0.288 -0.116 0.523) 0.608 10.012 ( 2.126 -2.098 -0.070) 2.988 10.055 ( -1.219 -3.284 -0.123) 3.505 10.085 ( 3.868 -2.561 0.332) 4.651 10.148 ( -0.026 -2.028 0.204) 2.038 10.208 ( -3.573 0.023 1.029) 3.719 10.240 ( -4.685 -1.011 0.517) 4.821 10.355 ( 1.279 -1.908 -0.681) 2.395 10.380 ( 0.409 -0.923 -0.393) 1.083 10.436 ( 1.645 -0.254 -1.496) 2.238 10.535 ( -6.348 -1.093 -1.018) 6.521 10.631 ( 0.081 0.301 0.003) 0.312 10.656 ( -0.114 3.328 -0.031) 3.330 10.696 ( -0.162 0.395 -1.687) 1.740 10.758 ( -4.083 1.780 -0.449) 4.477 11.084 ( 1.446 -0.952 1.601) 2.358 11.106 ( -0.469 -0.731 1.630) 1.847 11.207 ( 3.154 1.887 1.063) 3.826 11.266 ( -2.726 3.053 0.552) 4.130 11.313 ( 0.793 1.042 1.745) 2.182 11.346 ( -2.370 -1.088 1.436) 2.977 11.438 ( 1.264 0.609 1.062) 1.759 11.453 ( -0.165 -0.124 0.796) 0.823 11.685 ( 0.509 -0.229 -0.770) 0.951 11.701 ( -0.855 0.430 -0.930) 1.334 11.802 ( 3.460 3.387 0.343) 4.854 11.856 ( -0.495 5.057 1.039) 5.187 11.927 ( 3.017 -0.566 -0.892) 3.197 12.020 ( -4.948 -1.063 -0.713) 5.111 12.090 ( 2.718 3.320 0.088) 4.292 12.148 ( -3.433 3.306 -0.247) 4.772 12.273 ( 0.822 6.259 0.827) 6.367 12.291 ( -0.583 7.576 0.832) 7.643 12.447 ( 2.261 3.497 0.721) 4.226 12.458 ( 2.693 1.754 -0.424) 3.242 12.641 ( -1.362 -4.181 0.837) 4.477 12.688 ( -6.050 -3.655 5.321) 8.847 12.845 ( 1.263 -1.279 -0.514) 1.870 12.920 ( -7.131 -1.974 -3.200) 8.062 13.189 ( 1.919 0.670 3.172) 3.768 13.263 ( -2.505 1.783 0.666) 3.146 13.389 ( -0.699 -0.138 -0.946) 1.185 13.464 ( -5.047 -0.721 -2.701) 5.770 13.977 ( 9.040 -3.912 -3.422) 10.428 14.157 ( -9.262 -5.022 -2.838) 10.912 14.871 ( 11.517 -6.980 3.280) 13.861 15.035 ( -5.852 -9.719 5.206) 12.482 15.733 ( 2.591 3.899 -2.024) 5.100 15.753 ( -0.155 2.982 -1.702) 3.437 16.033 ( 3.428 -2.249 -2.377) 4.739 16.053 ( 1.836 -0.775 -3.818) 4.307 16.241 ( 2.327 2.534 -0.644) 3.500 16.260 ( 0.694 2.419 -1.178) 2.779 16.461 ( 1.135 0.298 0.848) 1.448 16.488 ( -1.319 -0.211 0.784) 1.549 ======================= Grid point 84 (33/36) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.000 6.253 4.562) 7.741 1.289 ( 0.000 -2.469 -3.271) 4.099 1.305 ( 0.000 5.848 8.271) 10.130 1.484 ( 0.000 -2.139 -3.675) 4.252 1.623 ( 0.000 -0.608 -5.001) 5.038 1.647 ( 0.000 -4.167 -1.945) 4.599 1.715 ( 0.000 5.274 -8.443) 9.955 1.792 ( 0.000 1.373 -2.565) 2.909 1.856 ( 0.000 -1.780 -3.744) 4.145 1.920 ( 0.000 -12.224 -3.851) 12.817 2.066 ( 0.000 6.102 0.554) 6.127 2.238 ( 0.000 -1.486 4.606) 4.840 2.278 ( 0.000 -10.976 1.558) 11.086 2.339 ( 0.000 -3.930 2.555) 4.688 2.546 ( 0.000 2.459 7.465) 7.859 2.590 ( 0.000 0.344 3.153) 3.171 2.724 ( 0.000 3.964 -1.734) 4.327 2.764 ( 0.000 -1.413 -4.978) 5.175 2.807 ( 0.000 5.392 0.131) 5.393 2.901 ( 0.000 0.139 -0.189) 0.234 2.974 ( 0.000 4.678 -1.073) 4.799 3.082 ( 0.000 9.978 3.588) 10.603 3.110 ( 0.000 0.599 0.470) 0.761 3.167 ( 0.000 -1.310 1.251) 1.811 3.198 ( 0.000 2.106 3.934) 4.463 3.240 ( 0.000 6.191 3.473) 7.098 3.282 ( 0.000 2.877 6.073) 6.720 3.319 ( 0.000 -10.673 0.260) 10.676 3.385 ( 0.000 -2.063 4.567) 5.011 3.478 ( 0.000 1.914 3.258) 3.779 3.528 ( 0.000 -0.467 4.836) 4.858 3.561 ( 0.000 -1.996 5.270) 5.636 3.568 ( 0.000 0.580 -4.683) 4.718 3.584 ( 0.000 -3.000 1.848) 3.524 3.716 ( 0.000 4.156 -3.497) 5.431 3.750 ( 0.000 3.381 -11.480) 11.967 3.817 ( 0.000 -5.563 0.169) 5.565 3.941 ( 0.000 -3.461 5.702) 6.670 4.016 ( 0.000 -0.024 -1.157) 1.157 4.040 ( 0.000 -1.055 1.646) 1.955 4.065 ( 0.000 2.560 0.300) 2.577 4.128 ( 0.000 -6.213 0.321) 6.221 4.181 ( 0.000 -3.146 -0.361) 3.166 4.254 ( 0.000 -1.696 -2.538) 3.053 4.309 ( 0.000 2.304 -1.400) 2.696 4.325 ( 0.000 1.358 -1.378) 1.935 4.391 ( 0.000 1.319 0.011) 1.319 4.425 ( 0.000 -1.217 -1.554) 1.974 4.430 ( 0.000 -0.002 -0.618) 0.618 4.486 ( 0.000 -4.088 -0.574) 4.128 4.636 ( 0.000 6.037 0.547) 6.062 4.691 ( 0.000 0.173 -1.854) 1.862 4.802 ( 0.000 0.418 1.884) 1.930 4.825 ( 0.000 -3.780 -1.677) 4.135 4.932 ( 0.000 -1.305 -1.066) 1.685 4.962 ( 0.000 -4.755 0.728) 4.810 5.059 ( 0.000 1.179 0.057) 1.180 5.072 ( 0.000 -0.494 0.831) 0.967 5.193 ( 0.000 1.856 -0.373) 1.893 5.225 ( 0.000 0.188 -1.899) 1.908 5.340 ( 0.000 1.152 -3.402) 3.592 5.381 ( 0.000 -2.020 -1.824) 2.721 5.408 ( 0.000 2.462 -1.156) 2.720 5.470 ( 0.000 -2.494 -1.484) 2.902 5.597 ( 0.000 2.002 -0.343) 2.031 5.638 ( 0.000 -1.840 -0.933) 2.063 5.718 ( 0.000 0.015 -1.035) 1.035 5.755 ( 0.000 -3.364 -0.131) 3.367 5.799 ( 0.000 4.134 -0.573) 4.174 5.886 ( 0.000 -2.451 -0.712) 2.552 6.083 ( 0.000 2.616 0.051) 2.617 6.109 ( 0.000 0.040 -0.004) 0.040 6.200 ( 0.000 4.280 1.582) 4.563 6.254 ( 0.000 4.745 0.229) 4.750 6.262 ( 0.000 -1.576 1.577) 2.229 6.336 ( 0.000 -0.685 -0.381) 0.784 6.376 ( 0.000 0.723 -1.316) 1.502 6.439 ( 0.000 -5.406 0.797) 5.465 6.528 ( 0.000 4.449 1.578) 4.720 6.584 ( 0.000 -1.027 0.684) 1.234 6.637 ( 0.000 -0.581 -2.552) 2.618 6.668 ( 0.000 -1.432 -1.862) 2.349 6.788 ( 0.000 -0.193 1.910) 1.920 6.810 ( 0.000 -1.145 1.714) 2.061 6.882 ( 0.000 3.041 0.731) 3.128 6.900 ( 0.000 0.856 -0.571) 1.029 7.055 ( 0.000 5.008 0.627) 5.047 7.140 ( 0.000 -3.668 1.281) 3.885 7.429 ( 0.000 6.034 2.910) 6.700 7.483 ( 0.000 0.162 -0.371) 0.404 7.617 ( 0.000 3.906 -0.518) 3.940 7.682 ( 0.000 0.033 -1.353) 1.353 7.745 ( 0.000 0.918 -1.741) 1.969 7.826 ( 0.000 -3.937 0.480) 3.967 7.860 ( 0.000 1.671 -1.454) 2.215 7.896 ( 0.000 -1.289 -0.031) 1.289 7.962 ( 0.000 1.407 -0.011) 1.407 7.992 ( 0.000 -1.403 -0.671) 1.555 8.145 ( 0.000 -2.299 -2.421) 3.339 8.198 ( 0.000 -5.364 -1.114) 5.478 8.427 ( 0.000 1.002 -0.350) 1.061 8.493 ( 0.000 -5.610 -0.414) 5.625 8.699 ( 0.000 2.478 1.814) 3.071 8.749 ( 0.000 -1.592 2.569) 3.023 8.808 ( 0.000 1.893 -0.833) 2.068 8.849 ( 0.000 -0.096 0.608) 0.615 8.899 ( 0.000 2.522 -2.509) 3.557 8.985 ( 0.000 -4.033 0.052) 4.034 9.084 ( 0.000 1.016 0.041) 1.017 9.106 ( 0.000 -1.022 -0.049) 1.024 9.192 ( 0.000 1.497 0.972) 1.785 9.209 ( 0.000 -0.052 0.450) 0.453 9.265 ( 0.000 4.009 0.249) 4.017 9.328 ( 0.000 4.163 1.822) 4.544 9.351 ( 0.000 -3.254 -0.068) 3.255 9.405 ( 0.000 -2.409 3.832) 4.526 9.492 ( 0.000 0.356 4.324) 4.339 9.523 ( 0.000 -2.475 3.103) 3.969 9.537 ( 0.000 3.665 1.971) 4.161 9.600 ( 0.000 -2.527 -0.527) 2.581 9.651 ( 0.000 0.343 -4.906) 4.917 9.688 ( 0.000 -2.768 -0.385) 2.794 9.724 ( 0.000 0.457 1.441) 1.512 9.756 ( 0.000 -2.709 -0.436) 2.744 9.867 ( 0.000 1.635 -1.568) 2.265 9.915 ( 0.000 -3.135 -3.510) 4.706 9.993 ( 0.000 3.534 -0.898) 3.646 10.066 ( 0.000 -2.970 -0.845) 3.088 10.095 ( 0.000 3.445 -0.859) 3.551 10.156 ( 0.000 -2.179 -0.586) 2.256 10.257 ( 0.000 3.896 -0.238) 3.903 10.261 ( 0.000 4.866 0.237) 4.872 10.325 ( 0.000 -3.255 0.112) 3.257 10.382 ( 0.000 -5.868 2.647) 6.437 10.572 ( 0.000 3.194 -1.484) 3.521 10.615 ( 0.000 -0.879 0.834) 1.212 10.699 ( 0.000 1.046 0.565) 1.189 10.749 ( 0.000 -4.320 1.664) 4.630 10.890 ( 0.000 0.163 1.350) 1.359 10.905 ( 0.000 -1.290 0.473) 1.374 11.006 ( 0.000 3.926 -0.986) 4.048 11.057 ( 0.000 -1.271 -1.568) 2.018 11.160 ( 0.000 4.191 0.932) 4.294 11.262 ( 0.000 -5.812 2.106) 6.182 11.338 ( 0.000 2.447 1.310) 2.775 11.358 ( 0.000 1.506 -0.573) 1.611 11.484 ( 0.000 2.205 0.530) 2.268 11.555 ( 0.000 -4.783 -1.178) 4.926 11.679 ( 0.000 6.342 -0.540) 6.365 11.726 ( 0.000 -0.318 -0.495) 0.588 11.753 ( 0.000 -0.561 0.523) 0.767 11.804 ( 0.000 -2.495 -1.346) 2.836 11.892 ( 0.000 3.673 -0.162) 3.676 11.997 ( 0.000 -6.111 0.709) 6.152 12.112 ( 0.000 2.282 0.069) 2.283 12.129 ( 0.000 0.781 1.807) 1.969 12.334 ( 0.000 2.071 -0.476) 2.125 12.344 ( 0.000 0.955 -1.576) 1.843 12.517 ( 0.000 8.224 0.853) 8.268 12.704 ( 0.000 -10.297 0.513) 10.310 12.801 ( 0.000 7.690 0.979) 7.752 12.906 ( 0.000 1.861 0.200) 1.872 12.994 ( 0.000 2.498 2.572) 3.586 13.143 ( 0.000 -10.544 -2.926) 10.943 13.419 ( 0.000 3.299 -1.206) 3.512 13.488 ( 0.000 -2.392 -2.381) 3.375 13.663 ( 0.000 -0.295 -0.416) 0.510 13.714 ( 0.000 -4.982 -3.644) 6.172 13.893 ( 0.000 7.922 0.201) 7.924 14.042 ( 0.000 -7.254 1.618) 7.432 14.775 ( 0.000 9.449 12.949) 16.030 14.918 ( 0.000 -4.257 8.225) 9.262 15.122 ( 0.000 11.788 -12.498) 17.180 15.346 ( 0.000 -10.159 -7.922) 12.883 15.839 ( 0.000 3.293 -1.188) 3.501 15.907 ( 0.000 -3.651 -1.372) 3.900 16.183 ( 0.000 1.519 0.154) 1.527 16.197 ( 0.000 0.470 -0.674) 0.822 16.448 ( 0.000 -1.337 0.786) 1.551 16.457 ( 0.000 -2.732 0.601) 2.798 ======================= Grid point 85 (34/36) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 2.883 5.809 2.044) 6.799 1.300 ( 2.037 -9.830 -4.348) 10.940 1.439 ( 12.413 8.468 7.486) 16.788 1.564 ( 5.771 -4.066 -1.621) 7.243 1.746 ( 7.030 2.632 -2.809) 8.014 1.766 ( 9.765 3.356 -5.517) 11.707 1.822 ( 8.561 -1.220 -3.057) 9.172 1.860 ( 9.554 2.288 -2.796) 10.214 1.901 ( 9.408 -4.822 -3.623) 11.176 1.992 ( 5.812 1.937 -3.277) 6.948 2.144 ( 6.956 -0.632 0.549) 7.006 2.257 ( 1.362 -4.742 4.443) 6.640 2.337 ( 5.235 -7.989 2.512) 9.876 2.378 ( 4.325 -5.587 3.041) 7.692 2.565 ( 3.239 4.332 4.860) 7.272 2.663 ( 5.786 -1.231 2.505) 6.424 2.716 ( 0.267 3.544 -3.211) 4.790 2.775 ( 0.710 -2.602 -3.608) 4.504 2.874 ( 4.819 6.119 1.234) 7.886 2.922 ( 1.890 1.351 -1.364) 2.694 2.971 ( -1.040 4.630 1.057) 4.862 3.024 ( -2.919 2.936 1.439) 4.384 3.107 ( -3.305 -0.777 -0.449) 3.425 3.134 ( -0.664 8.239 5.785) 10.089 3.173 ( 0.038 -2.826 2.764) 3.954 3.252 ( 1.062 3.423 0.720) 3.655 3.320 ( 1.069 6.088 3.558) 7.132 3.358 ( -0.263 -6.098 5.058) 7.927 3.373 ( 1.279 -6.766 0.393) 6.897 3.451 ( -1.934 -2.107 1.277) 3.132 3.492 ( 0.809 2.705 -0.629) 2.893 3.545 ( -0.081 -3.463 0.555) 3.508 3.593 ( 2.300 1.364 1.815) 3.232 3.651 ( 2.632 -0.649 2.363) 3.596 3.740 ( 2.275 1.265 -1.172) 2.854 3.794 ( 0.403 -3.053 -0.743) 3.167 3.817 ( 5.863 2.799 -4.920) 8.150 3.923 ( -1.736 -1.985 2.988) 3.985 3.995 ( -2.332 1.474 0.377) 2.784 4.030 ( -1.841 -0.381 -0.798) 2.042 4.072 ( 1.492 -1.547 2.604) 3.377 4.112 ( -1.941 -2.719 -0.810) 3.438 4.181 ( -1.406 -2.517 -3.450) 4.497 4.208 ( -2.125 -6.196 -4.112) 7.734 4.325 ( 1.607 6.191 0.615) 6.425 4.349 ( -2.097 1.721 -0.702) 2.802 4.368 ( -1.810 0.931 -1.212) 2.369 4.424 ( 3.482 -1.893 0.866) 4.057 4.438 ( 3.121 -2.085 0.464) 3.782 4.474 ( 0.705 -3.384 -0.621) 3.512 4.629 ( -0.612 4.523 -0.113) 4.565 4.699 ( -0.634 -1.432 -2.006) 2.545 4.831 ( 2.306 0.071 0.645) 2.396 4.858 ( 2.389 -1.507 -0.547) 2.877 4.934 ( 0.594 -1.327 -0.551) 1.554 4.950 ( -0.799 -3.004 -1.049) 3.280 5.061 ( 0.347 3.600 0.458) 3.645 5.105 ( 1.875 -1.355 1.635) 2.833 5.196 ( 0.285 0.062 -0.292) 0.413 5.221 ( 0.369 -2.006 -1.539) 2.555 5.335 ( -1.139 1.637 -1.373) 2.421 5.351 ( -0.419 0.947 -0.630) 1.212 5.449 ( 0.613 -0.011 -1.635) 1.746 5.485 ( 0.922 -2.640 -1.122) 3.013 5.616 ( 2.156 2.793 -0.308) 3.541 5.653 ( 1.383 -0.999 -1.507) 2.276 5.718 ( 0.034 0.797 -0.423) 0.903 5.765 ( 1.138 -3.666 -0.273) 3.848 5.836 ( 3.515 4.010 -0.536) 5.359 5.896 ( 0.490 -0.828 -0.748) 1.219 6.071 ( -1.362 4.712 -0.728) 4.958 6.136 ( 2.203 -1.046 0.298) 2.457 6.197 ( -0.601 2.459 1.396) 2.891 6.221 ( -2.270 4.136 1.185) 4.864 6.249 ( -1.129 -0.780 0.807) 1.592 6.297 ( -3.876 -1.164 0.089) 4.048 6.366 ( -1.167 2.143 -0.094) 2.442 6.424 ( -2.312 -1.622 1.612) 3.252 6.519 ( -6.513 1.580 0.074) 6.702 6.538 ( -1.175 -1.288 -0.062) 1.745 6.588 ( -2.675 1.508 -0.871) 3.191 6.671 ( -0.196 -3.743 -0.636) 3.802 6.774 ( -2.677 1.385 2.415) 3.862 6.807 ( -0.513 -2.291 1.642) 2.865 6.868 ( 0.735 2.463 -3.040) 3.981 6.893 ( -0.091 -0.016 -1.403) 1.406 6.994 ( -5.319 4.300 0.036) 6.840 7.083 ( -5.258 -4.187 1.346) 6.855 7.363 ( -4.492 4.809 1.219) 6.693 7.454 ( -4.441 -3.586 0.261) 5.714 7.651 ( 2.381 4.597 0.284) 5.184 7.701 ( 2.628 0.928 -1.397) 3.117 7.767 ( 1.987 1.559 -1.495) 2.935 7.827 ( -0.425 -0.439 1.294) 1.431 7.861 ( 0.329 0.002 -0.095) 0.342 7.882 ( -1.024 -0.588 -0.815) 1.435 7.955 ( 0.044 1.391 0.198) 1.406 8.007 ( 0.358 -4.721 -1.481) 4.961 8.163 ( 2.236 0.167 -1.756) 2.848 8.233 ( 2.072 -5.975 -1.258) 6.448 8.457 ( 2.698 1.481 -0.609) 3.137 8.516 ( 1.735 -4.407 -0.262) 4.743 8.664 ( -2.408 1.452 0.901) 2.952 8.707 ( -3.750 -2.461 1.436) 4.710 8.824 ( 2.190 3.307 -0.081) 3.968 8.850 ( -0.639 1.038 0.017) 1.219 8.910 ( -0.718 2.148 -0.410) 2.301 8.991 ( 0.522 -3.889 0.841) 4.013 9.041 ( -1.505 2.001 -0.370) 2.531 9.089 ( -0.987 -1.945 -0.456) 2.228 9.150 ( -4.135 1.938 0.657) 4.614 9.181 ( -1.658 -0.557 0.720) 1.891 9.261 ( -2.328 4.756 0.280) 5.303 9.315 ( -0.057 0.286 2.365) 2.383 9.352 ( -1.954 -1.605 0.693) 2.622 9.393 ( 3.339 -4.024 -0.087) 5.230 9.528 ( 0.308 2.736 2.630) 3.807 9.546 ( 1.757 -0.191 2.911) 3.406 9.567 ( 1.586 -0.066 1.145) 1.958 9.613 ( 2.757 -1.807 0.712) 3.372 9.687 ( 2.821 -0.410 -1.537) 3.238 9.705 ( 1.537 -2.078 2.098) 3.329 9.744 ( 2.212 1.146 -0.544) 2.550 9.778 ( 2.391 -2.068 -1.945) 3.711 9.861 ( -0.063 1.793 -1.328) 2.232 9.913 ( -0.031 -3.027 -3.386) 4.542 9.994 ( 0.216 1.764 -1.207) 2.148 10.048 ( -1.377 -2.503 -0.640) 2.928 10.120 ( 0.793 2.569 -0.429) 2.722 10.151 ( -1.050 0.233 -0.984) 1.458 10.232 ( 0.228 1.978 0.758) 2.130 10.284 ( -0.415 0.709 0.120) 0.830 10.308 ( -0.496 -0.905 -0.174) 1.047 10.380 ( -0.948 -4.405 1.455) 4.735 10.568 ( -0.878 3.153 -0.220) 3.281 10.610 ( -0.224 -0.376 0.757) 0.874 10.676 ( -2.235 -0.070 0.506) 2.293 10.703 ( -3.656 -2.880 -0.547) 4.686 10.891 ( -0.745 0.898 1.938) 2.263 10.908 ( -0.879 -0.887 0.911) 1.546 11.021 ( 1.566 2.783 -0.883) 3.313 11.060 ( 0.421 -1.045 -1.317) 1.733 11.174 ( 1.411 4.198 1.047) 4.551 11.266 ( 0.461 -4.144 2.335) 4.779 11.329 ( -0.120 1.519 1.097) 1.877 11.369 ( 0.538 -0.743 0.574) 1.082 11.455 ( -2.112 2.312 -0.865) 3.248 11.515 ( -3.511 -2.708 -0.923) 4.529 11.697 ( 1.043 5.323 -0.509) 5.448 11.745 ( 0.059 -0.444 1.118) 1.204 11.765 ( 1.761 0.028 0.256) 1.779 11.797 ( 0.831 -2.315 -2.229) 3.320 11.886 ( -0.407 3.139 0.043) 3.166 11.980 ( -0.630 -5.449 0.119) 5.486 12.136 ( 2.746 4.049 1.269) 5.054 12.191 ( 4.575 -0.632 2.741) 5.371 12.338 ( 1.465 3.606 -0.941) 4.004 12.379 ( 0.804 -0.267 0.092) 0.852 12.543 ( 3.563 6.218 1.155) 7.259 12.667 ( -3.338 -6.208 1.272) 7.162 12.729 ( -8.802 6.847 -0.366) 11.157 12.791 ( -8.204 5.066 -0.772) 9.673 12.989 ( -2.933 0.659 2.706) 4.045 13.136 ( -0.401 -12.130 2.662) 12.425 13.326 ( -9.235 0.287 -3.444) 9.861 13.365 ( -3.191 -3.613 -4.883) 6.862 13.528 ( -12.418 8.203 -2.936) 15.169 13.693 ( -12.186 -7.981 -3.134) 14.901 13.928 ( 4.502 8.229 0.796) 9.413 14.108 ( 8.746 -9.601 3.736) 13.514 14.627 ( -6.475 11.923 2.365) 13.773 14.859 ( -3.244 -11.614 5.194) 13.129 15.428 ( 21.828 10.182 -4.575) 24.517 15.588 ( 18.716 -5.532 -4.607) 20.053 15.831 ( -0.616 2.516 -1.425) 2.957 15.893 ( -1.236 -3.603 -1.300) 4.025 16.189 ( 0.934 1.532 -0.271) 1.815 16.209 ( 1.061 -0.249 -0.484) 1.193 16.446 ( 0.146 -0.403 0.709) 0.829 16.468 ( 0.782 -2.283 0.698) 2.513 ======================= Grid point 86 (35/36) ======================= q-point: ( 0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 9.296 4.213 0.888) 10.244 1.381 ( 5.849 -8.109 -1.517) 10.113 1.641 ( 7.701 3.418 -0.246) 8.429 1.705 ( 9.604 -2.959 1.156) 10.116 1.841 ( 4.847 3.591 0.411) 6.046 1.924 ( 6.430 1.322 -3.057) 7.242 1.957 ( 3.871 -0.787 -1.437) 4.204 2.030 ( 8.278 5.935 0.278) 10.190 2.100 ( 6.407 5.077 -2.829) 8.650 2.192 ( 11.485 -0.686 -0.043) 11.505 2.247 ( 1.557 -2.888 2.903) 4.381 2.312 ( 7.780 -5.093 -2.095) 9.532 2.403 ( 1.072 -3.187 2.817) 4.387 2.509 ( 7.790 -11.081 4.028) 14.131 2.650 ( 2.496 8.201 -0.978) 8.628 2.685 ( 0.355 5.647 -1.048) 5.754 2.737 ( -4.331 -1.944 -1.865) 5.100 2.809 ( 2.195 -1.586 1.125) 2.933 2.882 ( -0.308 1.367 0.399) 1.457 2.931 ( -1.068 -1.403 0.944) 2.000 2.979 ( 1.990 1.714 -0.304) 2.643 3.029 ( -0.467 -1.494 1.929) 2.484 3.105 ( 7.677 4.844 -0.086) 9.078 3.156 ( 3.784 2.316 0.918) 4.530 3.188 ( 0.648 3.324 3.739) 5.045 3.262 ( -2.029 0.040 1.444) 2.491 3.306 ( 0.741 0.671 1.263) 1.611 3.346 ( -1.692 -2.246 -1.195) 3.056 3.378 ( 2.496 -1.521 -0.993) 3.087 3.471 ( 2.181 -4.140 -0.911) 4.767 3.535 ( 3.147 -0.722 1.728) 3.662 3.594 ( 2.823 -5.095 0.484) 5.844 3.653 ( 2.414 1.869 -0.783) 3.152 3.694 ( 3.589 -1.677 2.724) 4.807 3.765 ( 1.239 -0.115 0.935) 1.557 3.794 ( -1.417 0.219 0.664) 1.580 3.871 ( -2.390 -0.360 -1.150) 2.677 3.924 ( -0.586 -3.267 0.629) 3.379 3.973 ( 2.301 0.711 -0.871) 2.562 4.039 ( -2.882 -4.058 0.756) 5.035 4.077 ( 8.374 1.611 -2.506) 8.888 4.122 ( 2.118 0.932 1.797) 2.930 4.164 ( 3.120 1.603 -2.781) 4.476 4.210 ( 0.770 -2.357 -2.646) 3.626 4.304 ( -0.789 -1.489 -0.386) 1.729 4.317 ( 0.194 -1.478 -0.434) 1.552 4.404 ( 4.519 4.770 -0.721) 6.610 4.481 ( 1.788 -0.576 0.019) 1.879 4.522 ( 2.919 1.429 -0.551) 3.296 4.558 ( 5.111 -1.282 -0.393) 5.284 4.651 ( 2.846 -0.349 0.940) 3.017 4.672 ( 2.271 -2.285 0.796) 3.318 4.852 ( -1.161 0.942 -0.479) 1.570 4.879 ( -0.349 -1.202 -0.671) 1.420 4.935 ( -0.075 1.329 -1.547) 2.041 4.962 ( 0.987 -1.090 -0.761) 1.656 5.083 ( 2.076 2.583 1.712) 3.730 5.110 ( -0.333 -0.906 1.632) 1.896 5.187 ( -1.141 0.947 -0.356) 1.525 5.233 ( 0.002 -2.012 0.726) 2.139 5.314 ( -1.764 2.665 -0.400) 3.221 5.357 ( 0.613 -1.884 0.207) 1.992 5.423 ( -2.894 0.953 -0.503) 3.088 5.466 ( -2.371 -3.037 -0.568) 3.895 5.625 ( -1.402 0.674 0.178) 1.566 5.650 ( -2.540 -2.059 -0.616) 3.327 5.739 ( 0.888 3.332 -0.401) 3.472 5.781 ( -2.507 -0.242 0.293) 2.535 5.886 ( 0.804 1.860 0.353) 2.057 5.899 ( 0.923 1.326 -1.476) 2.189 6.036 ( -1.764 4.541 -1.123) 4.999 6.084 ( -7.758 -0.030 -0.798) 7.799 6.184 ( 0.407 2.369 1.819) 3.014 6.197 ( -3.432 2.752 4.439) 6.250 6.227 ( -0.087 1.601 0.614) 1.717 6.273 ( 0.764 0.837 -1.129) 1.600 6.312 ( -2.395 0.109 -0.732) 2.507 6.380 ( -1.212 0.291 1.882) 2.257 6.391 ( -3.168 2.673 0.469) 4.172 6.449 ( -5.382 -5.420 -2.248) 7.962 6.586 ( -0.572 1.825 0.185) 1.921 6.649 ( -2.348 -3.712 -0.262) 4.401 6.729 ( -1.955 2.551 0.730) 3.296 6.772 ( -3.022 -1.252 0.202) 3.277 6.879 ( -1.493 2.451 -0.156) 2.874 6.901 ( 0.211 3.447 -2.849) 4.477 6.937 ( 1.046 -3.065 -2.686) 4.207 6.998 ( -1.749 -5.392 0.335) 5.678 7.287 ( -3.489 2.202 0.799) 4.202 7.354 ( -5.320 -3.683 0.114) 6.471 7.679 ( 0.841 3.341 0.134) 3.448 7.744 ( 0.071 -2.464 -0.276) 2.481 7.807 ( 0.520 1.906 1.362) 2.400 7.823 ( 2.113 1.965 -0.591) 2.946 7.845 ( -0.122 2.027 -0.076) 2.032 7.900 ( 1.843 0.987 -0.032) 2.090 7.963 ( 0.744 -0.399 0.666) 1.075 8.008 ( -0.091 -4.791 -1.555) 5.038 8.203 ( 1.529 -0.672 -1.458) 2.217 8.248 ( -0.392 -4.813 -1.253) 4.989 8.488 ( -0.158 1.332 0.119) 1.347 8.525 ( -0.754 -2.103 0.358) 2.262 8.630 ( -0.994 1.736 -0.568) 2.080 8.670 ( -0.611 -1.854 -0.602) 2.043 8.826 ( 0.001 1.544 0.184) 1.555 8.861 ( 0.139 -2.258 0.350) 2.289 8.912 ( 2.421 5.055 0.632) 5.640 8.981 ( -1.269 1.608 1.019) 2.288 9.029 ( -1.728 0.750 -0.239) 1.899 9.075 ( -1.370 2.469 0.700) 2.909 9.095 ( -0.091 -3.767 -0.722) 3.836 9.162 ( -0.669 -3.842 1.102) 4.052 9.236 ( -0.119 1.520 0.259) 1.546 9.254 ( -2.694 -1.026 -0.591) 2.943 9.379 ( 2.008 2.800 1.392) 3.716 9.451 ( 1.811 -3.483 0.649) 3.979 9.530 ( 0.106 2.737 1.196) 2.989 9.566 ( 0.973 -0.813 0.706) 1.451 9.595 ( 1.915 0.242 0.073) 1.932 9.650 ( 0.677 -2.256 1.421) 2.751 9.732 ( 1.720 0.629 2.096) 2.784 9.753 ( 2.763 -1.216 2.223) 3.749 9.791 ( 2.654 2.511 -1.151) 3.831 9.834 ( 3.003 -0.684 -2.745) 4.126 9.884 ( 2.605 0.154 -0.923) 2.768 9.924 ( 1.392 -2.777 -2.395) 3.922 9.996 ( -0.226 -0.154 -1.631) 1.654 10.025 ( -1.069 -2.295 -0.923) 2.695 10.067 ( -4.242 2.881 -0.440) 5.147 10.126 ( -3.053 -2.809 0.088) 4.150 10.248 ( 0.222 0.670 1.924) 2.049 10.277 ( -0.152 -1.740 -0.505) 1.819 10.310 ( 0.860 1.205 -0.902) 1.734 10.346 ( -1.436 -1.650 -0.097) 2.189 10.516 ( -4.248 2.904 0.571) 5.177 10.582 ( -4.599 -3.564 1.045) 5.911 10.644 ( 1.148 1.539 -1.445) 2.403 10.666 ( -0.631 -0.376 -1.327) 1.517 10.836 ( -5.299 1.763 0.327) 5.594 10.852 ( -4.316 -0.015 0.768) 4.384 11.053 ( 1.504 0.967 0.540) 1.868 11.075 ( 0.972 -1.186 0.769) 1.716 11.211 ( 2.348 3.932 1.520) 4.825 11.281 ( 1.034 -2.078 2.682) 3.547 11.335 ( 0.399 0.118 0.435) 0.602 11.365 ( -1.293 -1.920 0.878) 2.476 11.438 ( 0.391 1.986 -1.248) 2.378 11.459 ( -1.472 0.043 -0.342) 1.512 11.694 ( -0.935 1.931 -0.417) 2.185 11.729 ( -1.959 -1.149 0.252) 2.285 11.800 ( 3.396 3.197 -0.252) 4.671 11.861 ( 3.807 -2.695 0.327) 4.676 11.894 ( 1.648 3.508 0.034) 3.876 11.979 ( 0.213 -5.018 -0.186) 5.026 12.196 ( 2.917 6.711 3.604) 8.157 12.265 ( 2.485 1.326 2.230) 3.593 12.339 ( -3.187 1.302 1.016) 3.590 12.383 ( 1.947 -0.989 -1.588) 2.700 12.522 ( -7.341 10.035 0.669) 12.451 12.587 ( -4.020 2.201 3.596) 5.825 12.646 ( -0.998 -2.284 1.135) 2.738 12.693 ( 1.297 1.462 -2.339) 3.048 12.867 ( -8.766 1.129 1.407) 8.950 13.023 ( -10.271 -8.157 -0.485) 13.124 13.260 ( -4.618 2.392 -0.292) 5.209 13.307 ( 0.955 -2.234 -0.783) 2.553 13.368 ( -2.842 1.266 -1.015) 3.272 13.477 ( -6.474 -5.950 -4.974) 10.102 13.957 ( -1.743 8.368 -2.437) 8.889 14.162 ( -4.784 -11.566 1.218) 12.576 14.640 ( 7.269 7.978 -0.465) 10.803 14.846 ( 1.159 -12.378 2.762) 12.735 15.752 ( 8.708 7.448 -2.149) 11.658 15.812 ( 0.443 3.534 -1.071) 3.719 15.880 ( 6.320 -4.226 -1.418) 7.734 15.914 ( 8.693 -3.769 -2.191) 9.725 16.225 ( 2.881 1.330 -0.624) 3.234 16.241 ( 2.641 -0.219 -0.694) 2.739 16.455 ( 0.751 0.786 0.799) 1.350 16.480 ( 0.395 -1.467 0.793) 1.714 ======================= Grid point 87 (36/36) ======================= q-point: ( 0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 7.517 2.445 0.529) 7.922 1.467 ( 1.616 -2.026 0.240) 2.603 1.787 ( 7.976 2.449 -1.151) 8.423 1.852 ( 3.986 -3.622 -0.093) 5.387 1.921 ( 3.360 4.749 1.407) 5.985 1.975 ( 0.516 4.037 0.555) 4.108 2.002 ( -0.954 0.783 1.094) 1.649 2.061 ( -2.383 -6.189 0.008) 6.632 2.201 ( 2.906 -1.403 3.292) 4.610 2.287 ( -0.371 -5.514 0.560) 5.555 2.326 ( 6.958 6.523 0.896) 9.579 2.395 ( 4.638 -1.497 0.335) 4.885 2.450 ( 0.348 4.131 -1.076) 4.283 2.513 ( -5.369 1.918 3.063) 6.472 2.635 ( -2.745 1.717 -3.249) 4.587 2.653 ( -3.245 5.033 -3.613) 6.994 2.779 ( 7.208 -5.013 1.358) 8.884 2.823 ( 0.567 1.418 -0.317) 1.559 2.844 ( -2.150 -0.485 0.381) 2.237 2.893 ( -2.420 -4.917 -0.005) 5.480 3.019 ( 2.496 2.930 -0.866) 3.945 3.083 ( 0.007 3.536 -0.655) 3.596 3.119 ( 1.621 -3.598 -2.686) 4.774 3.198 ( -2.660 -2.923 0.976) 4.071 3.265 ( 2.637 4.127 1.330) 5.074 3.300 ( 2.298 1.137 -0.196) 2.571 3.326 ( 4.043 -0.009 1.205) 4.219 3.383 ( 4.156 -4.036 0.605) 5.825 3.449 ( 2.049 -1.766 3.538) 4.454 3.486 ( 0.566 -4.514 0.254) 4.556 3.577 ( 0.714 -1.414 -0.392) 1.631 3.601 ( 1.072 -4.516 -1.901) 5.016 3.678 ( 0.750 0.056 1.661) 1.823 3.711 ( -0.692 -4.250 0.549) 4.340 3.749 ( -0.456 2.389 -2.334) 3.371 3.803 ( -3.041 0.822 -0.421) 3.179 3.832 ( -0.908 -4.068 -2.152) 4.691 3.875 ( -5.779 -4.540 -2.961) 7.923 4.021 ( 7.459 1.930 0.876) 7.754 4.073 ( 5.326 -2.964 1.867) 6.375 4.167 ( 0.110 3.123 1.064) 3.301 4.200 ( -0.876 0.304 1.447) 1.719 4.244 ( 3.813 2.461 -0.655) 4.585 4.268 ( 4.364 1.068 -0.749) 4.555 4.340 ( 3.521 -2.977 -0.609) 4.651 4.370 ( 3.370 -5.599 -1.147) 6.635 4.471 ( 1.800 6.203 -1.764) 6.696 4.502 ( 3.808 3.150 -1.758) 5.245 4.552 ( -1.271 -0.360 -1.160) 1.758 4.589 ( 2.401 -3.663 -2.675) 5.132 4.716 ( 1.050 3.582 3.460) 5.090 4.764 ( 0.232 -0.268 4.500) 4.514 4.823 ( 1.765 3.742 -1.863) 4.537 4.879 ( 0.724 0.674 -2.211) 2.422 4.924 ( -2.058 -0.695 -0.010) 2.172 4.943 ( -1.332 -2.095 -0.227) 2.493 5.098 ( 1.807 3.155 2.701) 4.530 5.134 ( 1.479 0.190 0.772) 1.679 5.168 ( -2.760 2.698 0.563) 3.900 5.210 ( -4.362 -1.261 1.329) 4.731 5.290 ( 1.858 2.272 1.030) 3.111 5.347 ( -2.281 0.107 0.524) 2.343 5.368 ( 2.918 1.685 -0.177) 3.375 5.467 ( 1.739 -4.637 2.177) 5.410 5.563 ( -6.318 1.896 -0.132) 6.598 5.600 ( -4.026 -2.514 1.048) 4.861 5.662 ( -3.254 -0.387 0.090) 3.279 5.681 ( -5.370 -1.157 -0.220) 5.498 5.848 ( -1.792 1.221 -0.501) 2.226 5.889 ( -4.510 -1.759 -0.369) 4.855 6.025 ( 2.482 4.096 -0.206) 4.794 6.048 ( 1.733 3.329 0.531) 3.790 6.125 ( -0.247 3.135 0.685) 3.218 6.179 ( -2.723 -0.781 1.588) 3.247 6.229 ( 0.027 3.378 -1.178) 3.578 6.242 ( -1.850 3.539 -2.399) 4.658 6.330 ( 0.667 -3.324 0.144) 3.393 6.346 ( -2.155 -3.534 -0.884) 4.233 6.414 ( 4.479 0.937 -0.259) 4.583 6.450 ( 4.264 -0.811 0.051) 4.340 6.545 ( -3.112 3.401 0.715) 4.665 6.586 ( -4.235 1.699 0.609) 4.603 6.688 ( -1.101 1.584 -0.020) 1.929 6.712 ( -2.823 -0.373 0.536) 2.898 6.873 ( 0.707 1.990 -2.651) 3.389 6.888 ( -0.806 1.637 -3.814) 4.228 6.979 ( 2.571 -3.807 0.242) 4.600 7.006 ( 0.258 -5.880 0.410) 5.900 7.242 ( -0.613 -0.433 -0.196) 0.776 7.272 ( -3.279 -3.206 -0.334) 4.598 7.688 ( 0.411 1.940 0.466) 2.037 7.710 ( -2.102 0.239 0.645) 2.212 7.822 ( 0.824 1.120 -0.117) 1.395 7.830 ( -0.122 0.345 0.067) 0.372 7.896 ( 2.712 3.326 0.427) 4.313 7.921 ( 0.032 2.779 0.853) 2.907 7.983 ( 1.263 -2.759 0.829) 3.146 8.002 ( -0.606 -3.889 -0.297) 3.947 8.221 ( 0.579 -2.528 -1.519) 3.006 8.233 ( -0.833 -3.537 -1.561) 3.954 8.482 ( 0.420 1.336 -0.083) 1.403 8.503 ( -1.346 -0.532 -0.069) 1.449 8.622 ( 0.238 1.240 -0.300) 1.298 8.645 ( -1.880 -0.915 -0.250) 2.106 8.843 ( 1.108 1.475 0.249) 1.861 8.857 ( -0.589 0.753 0.140) 0.966 8.953 ( 1.306 1.883 1.559) 2.771 8.967 ( -0.510 1.572 0.696) 1.793 9.014 ( 1.598 2.212 -1.535) 3.131 9.057 ( -1.816 -0.485 0.239) 1.894 9.093 ( 0.504 -3.420 -0.222) 3.464 9.122 ( -2.537 -4.730 -0.055) 5.368 9.249 ( 1.485 1.460 -0.247) 2.097 9.259 ( 0.784 0.827 -0.406) 1.209 9.409 ( 1.669 1.444 2.086) 3.037 9.448 ( -1.868 -1.607 1.869) 3.093 9.547 ( 1.803 1.566 0.075) 2.390 9.574 ( -0.518 -1.305 0.867) 1.650 9.639 ( 2.463 1.030 -0.006) 2.670 9.663 ( 0.437 -0.131 0.463) 0.650 9.734 ( -0.454 0.835 0.386) 1.026 9.761 ( -2.114 -1.382 0.817) 2.655 9.850 ( 2.982 1.404 -0.328) 3.313 9.876 ( 0.807 0.085 -1.529) 1.731 9.939 ( 2.354 -0.584 -0.349) 2.451 9.958 ( 0.897 -1.113 -0.886) 1.682 9.984 ( -0.283 -0.396 -0.900) 1.023 10.000 ( -1.564 -1.901 -1.566) 2.917 10.033 ( 2.063 -0.819 -0.402) 2.255 10.077 ( -1.580 -4.354 0.251) 4.639 10.213 ( -2.644 0.712 0.915) 2.887 10.226 ( -3.750 -0.473 0.050) 3.780 10.354 ( 3.070 1.146 -0.840) 3.382 10.378 ( 3.267 -0.648 -0.799) 3.425 10.438 ( -2.893 1.454 -0.570) 3.287 10.488 ( -5.069 -3.028 -0.481) 5.924 10.658 ( 1.051 1.917 -0.653) 2.282 10.683 ( 0.937 -0.221 -0.057) 0.964 10.736 ( -3.178 2.459 -0.991) 4.139 10.768 ( -4.116 -0.706 -0.202) 4.181 11.076 ( 0.972 0.060 1.867) 2.105 11.086 ( 0.045 -0.951 2.045) 2.256 11.255 ( 2.244 2.490 1.919) 3.862 11.289 ( -0.838 -0.714 2.512) 2.743 11.333 ( -0.445 0.558 0.070) 0.717 11.337 ( -0.639 0.126 -0.087) 0.657 11.454 ( 0.835 0.824 0.178) 1.187 11.458 ( 0.400 0.386 -0.122) 0.569 11.680 ( -0.247 0.107 -0.562) 0.623 11.692 ( -1.539 -0.930 -0.455) 1.855 11.869 ( 3.199 2.708 1.047) 4.320 11.898 ( 0.312 -0.161 1.555) 1.594 11.948 ( 2.828 1.450 -0.857) 3.292 11.979 ( -0.501 -1.993 -0.822) 2.214 12.219 ( -0.020 6.784 2.268) 7.153 12.242 ( -2.931 5.080 0.776) 5.916 12.337 ( 3.140 1.979 1.233) 3.912 12.401 ( -2.365 2.253 2.124) 3.896 12.459 ( 1.044 -3.545 1.948) 4.177 12.505 ( -3.264 -3.016 4.667) 6.444 12.632 ( 0.873 5.983 -3.287) 6.882 12.691 ( -5.110 8.010 -0.375) 9.509 12.776 ( 1.811 -5.819 -1.865) 6.373 12.852 ( -6.648 -5.760 -2.498) 9.144 13.229 ( 2.004 3.411 4.859) 6.266 13.292 ( -3.230 -0.821 4.136) 5.312 13.373 ( 3.014 0.588 -1.278) 3.326 13.431 ( -1.802 -3.135 -1.851) 4.062 13.930 ( 1.081 0.743 -7.001) 7.123 14.021 ( -7.757 -7.565 -4.980) 11.925 14.787 ( 6.466 -0.442 0.848) 6.536 14.857 ( -1.008 -7.173 1.797) 7.463 15.793 ( 0.351 2.084 -1.512) 2.598 15.804 ( -0.794 1.372 -1.689) 2.317 16.002 ( 4.262 -0.206 -0.723) 4.328 16.025 ( 1.875 -1.900 -0.981) 2.844 16.285 ( 2.776 1.695 -0.642) 3.315 16.296 ( 1.911 0.751 -0.846) 2.221 16.470 ( 0.753 0.602 0.998) 1.387 16.481 ( -0.323 -0.465 0.973) 1.126 =================== 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 10.0 309.559 343.089 306.684 0.000 0.000 0.000 3/31500 20.0 41.328 42.401 37.159 0.000 0.000 0.000 3/31500 30.0 15.919 14.964 13.126 0.000 0.000 0.000 3/31500 40.0 8.865 8.006 6.993 0.000 0.000 0.000 3/31500 50.0 5.905 5.219 4.533 0.000 0.000 0.000 3/31500 60.0 4.357 3.798 3.281 0.000 0.000 0.000 3/31500 70.0 3.428 2.959 2.544 0.000 0.000 0.000 3/31500 80.0 2.816 2.413 2.066 0.000 0.000 0.000 3/31500 90.0 2.387 2.033 1.734 0.000 0.000 0.000 3/31500 100.0 2.072 1.756 1.492 0.000 0.000 0.000 3/31500 110.0 1.831 1.545 1.309 0.000 0.000 0.000 3/31500 120.0 1.641 1.381 1.166 0.000 0.000 0.000 3/31500 130.0 1.489 1.248 1.051 0.000 0.000 0.000 3/31500 140.0 1.363 1.140 0.957 0.000 0.000 0.000 3/31500 150.0 1.259 1.050 0.880 0.000 0.000 0.000 3/31500 160.0 1.170 0.973 0.814 0.000 0.000 0.000 3/31500 170.0 1.093 0.908 0.757 0.000 0.000 0.000 3/31500 180.0 1.027 0.851 0.709 0.000 0.000 0.000 3/31500 190.0 0.969 0.801 0.666 0.000 0.000 0.000 3/31500 200.0 0.917 0.757 0.629 0.000 0.000 0.000 3/31500 210.0 0.871 0.718 0.595 0.000 0.000 0.000 3/31500 220.0 0.829 0.682 0.565 0.000 0.000 0.000 3/31500 230.0 0.792 0.651 0.538 0.000 0.000 0.000 3/31500 240.0 0.758 0.622 0.514 0.000 0.000 0.000 3/31500 250.0 0.727 0.596 0.492 0.000 0.000 0.000 3/31500 260.0 0.698 0.572 0.472 0.000 0.000 0.000 3/31500 270.0 0.672 0.549 0.453 0.000 0.000 0.000 3/31500 280.0 0.647 0.529 0.436 0.000 0.000 0.000 3/31500 290.0 0.625 0.510 0.420 0.000 0.000 0.000 3/31500 300.0 0.604 0.492 0.405 0.000 0.000 0.000 3/31500 310.0 0.584 0.476 0.392 0.000 0.000 0.000 3/31500 320.0 0.566 0.461 0.379 0.000 0.000 0.000 3/31500 330.0 0.549 0.446 0.367 0.000 0.000 0.000 3/31500 340.0 0.532 0.433 0.356 0.000 0.000 0.000 3/31500 350.0 0.517 0.420 0.345 0.000 0.000 0.000 3/31500 360.0 0.503 0.408 0.335 0.000 0.000 0.000 3/31500 370.0 0.489 0.397 0.326 0.000 0.000 0.000 3/31500 380.0 0.476 0.387 0.317 0.000 0.000 0.000 3/31500 390.0 0.464 0.377 0.309 0.000 0.000 0.000 3/31500 400.0 0.453 0.367 0.301 0.000 0.000 0.000 3/31500 410.0 0.441 0.358 0.293 0.000 0.000 0.000 3/31500 420.0 0.431 0.349 0.286 0.000 0.000 0.000 3/31500 430.0 0.421 0.341 0.279 0.000 0.000 0.000 3/31500 440.0 0.411 0.333 0.273 0.000 0.000 0.000 3/31500 450.0 0.402 0.326 0.267 0.000 0.000 0.000 3/31500 460.0 0.394 0.319 0.261 0.000 0.000 0.000 3/31500 470.0 0.385 0.312 0.255 0.000 0.000 0.000 3/31500 480.0 0.377 0.305 0.250 0.000 0.000 0.000 3/31500 490.0 0.370 0.299 0.245 0.000 0.000 0.000 3/31500 500.0 0.362 0.293 0.240 0.000 0.000 0.000 3/31500 510.0 0.355 0.287 0.235 0.000 0.000 0.000 3/31500 520.0 0.348 0.282 0.230 0.000 0.000 0.000 3/31500 530.0 0.342 0.276 0.226 0.000 0.000 0.000 3/31500 540.0 0.335 0.271 0.222 0.000 0.000 0.000 3/31500 550.0 0.329 0.266 0.218 0.000 0.000 0.000 3/31500 560.0 0.324 0.261 0.214 0.000 0.000 0.000 3/31500 570.0 0.318 0.257 0.210 0.000 0.000 0.000 3/31500 580.0 0.312 0.252 0.206 0.000 0.000 0.000 3/31500 590.0 0.307 0.248 0.203 0.000 0.000 0.000 3/31500 600.0 0.302 0.244 0.199 0.000 0.000 0.000 3/31500 610.0 0.297 0.240 0.196 0.000 0.000 0.000 3/31500 620.0 0.292 0.236 0.193 0.000 0.000 0.000 3/31500 630.0 0.288 0.232 0.190 0.000 0.000 0.000 3/31500 640.0 0.283 0.228 0.187 0.000 0.000 0.000 3/31500 650.0 0.279 0.225 0.184 0.000 0.000 0.000 3/31500 660.0 0.275 0.222 0.181 0.000 0.000 0.000 3/31500 670.0 0.271 0.218 0.178 0.000 0.000 0.000 3/31500 680.0 0.267 0.215 0.176 0.000 0.000 0.000 3/31500 690.0 0.263 0.212 0.173 0.000 0.000 0.000 3/31500 700.0 0.259 0.209 0.171 0.000 0.000 0.000 3/31500 710.0 0.255 0.206 0.168 0.000 0.000 0.000 3/31500 720.0 0.252 0.203 0.166 0.000 0.000 0.000 3/31500 730.0 0.248 0.200 0.163 0.000 0.000 0.000 3/31500 740.0 0.245 0.198 0.161 0.000 0.000 0.000 3/31500 750.0 0.242 0.195 0.159 0.000 0.000 0.000 3/31500 760.0 0.239 0.192 0.157 0.000 0.000 0.000 3/31500 770.0 0.236 0.190 0.155 0.000 0.000 0.000 3/31500 780.0 0.233 0.187 0.153 0.000 0.000 0.000 3/31500 790.0 0.230 0.185 0.151 0.000 0.000 0.000 3/31500 800.0 0.227 0.183 0.149 0.000 0.000 0.000 3/31500 810.0 0.224 0.180 0.147 0.000 0.000 0.000 3/31500 820.0 0.221 0.178 0.145 0.000 0.000 0.000 3/31500 830.0 0.219 0.176 0.144 0.000 0.000 0.000 3/31500 840.0 0.216 0.174 0.142 0.000 0.000 0.000 3/31500 850.0 0.213 0.172 0.140 0.000 0.000 0.000 3/31500 860.0 0.211 0.170 0.139 0.000 0.000 0.000 3/31500 870.0 0.209 0.168 0.137 0.000 0.000 0.000 3/31500 880.0 0.206 0.166 0.135 0.000 0.000 0.000 3/31500 890.0 0.204 0.164 0.134 0.000 0.000 0.000 3/31500 900.0 0.202 0.162 0.132 0.000 0.000 0.000 3/31500 910.0 0.199 0.161 0.131 0.000 0.000 0.000 3/31500 920.0 0.197 0.159 0.130 0.000 0.000 0.000 3/31500 930.0 0.195 0.157 0.128 0.000 0.000 0.000 3/31500 940.0 0.193 0.155 0.127 0.000 0.000 0.000 3/31500 950.0 0.191 0.154 0.125 0.000 0.000 0.000 3/31500 960.0 0.189 0.152 0.124 0.000 0.000 0.000 3/31500 970.0 0.187 0.151 0.123 0.000 0.000 0.000 3/31500 980.0 0.185 0.149 0.122 0.000 0.000 0.000 3/31500 990.0 0.183 0.148 0.120 0.000 0.000 0.000 3/31500 1000.0 0.181 0.146 0.119 0.000 0.000 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 08:12:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|