----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:43:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.924472490319053 0.000000000000000 0.000000000000000 b 0.000000000000000 11.137036500000001 0.000000000000000 c -3.840440026846661 0.000000000000000 10.895084538373114 Atomic positions (fractional): *1 La 0.52482838912567 0.08501185945854 0.30719943308994 138.905 2 La 0.52482838912567 0.41498814054146 0.80719943308993 138.905 *3 La 0.66434512679135 0.87610903930322 0.08567911504944 138.905 *4 La 0.83319060068989 0.37740444075027 0.42582779961480 138.905 5 La 0.66434512679135 0.62389096069678 0.58567911504944 138.905 6 La 0.83319060068989 0.12259555924973 0.92582779961480 138.905 *7 La 0.97887157911200 0.59911665042392 0.21519446097955 138.905 8 La 0.02112842088800 0.09911665042392 0.28480553902045 138.905 9 La 0.97887157911200 0.90088334957608 0.71519446097955 138.905 10 La 0.02112842088800 0.40088334957608 0.78480553902045 138.905 11 La 0.16680939931011 0.87740444075027 0.07417220038520 138.905 12 La 0.33565487320865 0.37610903930321 0.41432088495056 138.905 13 La 0.16680939931011 0.62259555924973 0.57417220038520 138.905 14 La 0.33565487320865 0.12389096069678 0.91432088495056 138.905 15 La 0.47517161087433 0.58501185945854 0.19280056691007 138.905 16 La 0.47517161087433 0.91498814054146 0.69280056691007 138.905 *17 Ga 0.71996666762612 0.30838129295565 0.12917554147136 69.723 *18 Ga 0.84583979715766 0.81132896718004 0.38236053610345 69.723 19 Ga 0.71996666762612 0.19161870704435 0.62917554147136 69.723 20 Ga 0.84583979715766 0.68867103281996 0.88236053610345 69.723 21 Ga 0.15416020284234 0.31132896718004 0.11763946389655 69.723 22 Ga 0.28003333237388 0.80838129295565 0.37082445852864 69.723 23 Ga 0.15416020284234 0.18867103281996 0.61763946389655 69.723 24 Ga 0.28003333237388 0.69161870704435 0.87082445852864 69.723 *25 O 0.57419612299331 0.23178113052220 0.47606308264669 15.999 *26 O 0.57563874138293 0.50217102852759 0.39576605584839 15.999 *27 O 0.71493466638260 0.71807221935363 0.25069763926903 15.999 *28 O 0.73301622434597 0.21887858508142 0.26757876699226 15.999 29 O 0.57419612299331 0.26821886947780 0.97606308264669 15.999 30 O 0.57563874138293 0.99782897147241 0.89576605584839 15.999 *31 O 0.79486664954283 0.96423441056498 0.32018702553112 15.999 *32 O 0.72478372027584 0.46447583444320 0.17969582819300 15.999 33 O 0.71493466638260 0.78192778064637 0.75069763926903 15.999 34 O 0.73301622434597 0.28112141491858 0.76757876699226 15.999 *35 O 0.86292305583187 0.72749733064299 0.03936446983276 15.999 36 O 0.79486664954283 0.53576558943502 0.82018702553112 15.999 *37 O 0.93304757788390 0.24993823407610 0.11517914277290 15.999 *38 O 0.07153327672083 0.49026556674674 0.40026326969581 15.999 39 O 0.72478372027584 0.03552416555680 0.67969582819300 15.999 40 O 0.92846672327917 0.99026556674674 0.09973673030419 15.999 41 O 0.06695242211610 0.74993823407611 0.38482085722710 15.999 42 O 0.13707694416814 0.22749733064299 0.46063553016725 15.999 43 O 0.86292305583187 0.77250266935701 0.53936446983275 15.999 44 O 0.93304757788390 0.25006176592390 0.61517914277290 15.999 45 O 0.07153327672083 0.00973443325326 0.90026326969580 15.999 46 O 0.27521627972416 0.96447583444320 0.32030417180700 15.999 47 O 0.92846672327917 0.50973443325326 0.59973673030420 15.999 48 O 0.06695242211610 0.75006176592389 0.88482085722710 15.999 49 O 0.20513335045717 0.46423441056498 0.17981297446888 15.999 50 O 0.13707694416814 0.27250266935701 0.96063553016725 15.999 51 O 0.26698377565403 0.71887858508142 0.23242123300774 15.999 52 O 0.28506533361740 0.21807221935363 0.24930236073097 15.999 53 O 0.27521627972416 0.53552416555680 0.82030417180700 15.999 54 O 0.20513335045717 0.03576558943502 0.67981297446888 15.999 55 O 0.42436125861707 0.00217102852759 0.10423394415161 15.999 56 O 0.42580387700669 0.73178113052220 0.02393691735331 15.999 57 O 0.26698377565403 0.78112141491858 0.73242123300774 15.999 58 O 0.28506533361740 0.28192778064637 0.74930236073097 15.999 59 O 0.42436125861707 0.49782897147241 0.60423394415161 15.999 60 O 0.42580387700669 0.76821886947780 0.52393691735331 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.924472490319053 0.000000000000000 0.000000000000000 b 0.000000000000000 11.137036500000001 0.000000000000000 c -3.840440026846661 0.000000000000000 10.895084538373114 Atomic positions (fractional): *1 La 0.52482838912567 0.08501185945854 0.30719943308994 138.905 > 1 2 La 0.52482838912567 0.41498814054146 0.80719943308993 138.905 > 2 *3 La 0.66434512679135 0.87610903930322 0.08567911504944 138.905 > 3 *4 La 0.83319060068989 0.37740444075027 0.42582779961480 138.905 > 4 5 La 0.66434512679135 0.62389096069678 0.58567911504944 138.905 > 5 6 La 0.83319060068989 0.12259555924973 0.92582779961480 138.905 > 6 *7 La 0.97887157911200 0.59911665042392 0.21519446097955 138.905 > 7 8 La 0.02112842088800 0.09911665042392 0.28480553902045 138.905 > 8 9 La 0.97887157911200 0.90088334957608 0.71519446097955 138.905 > 9 10 La 0.02112842088800 0.40088334957608 0.78480553902045 138.905 > 10 11 La 0.16680939931011 0.87740444075027 0.07417220038520 138.905 > 11 12 La 0.33565487320865 0.37610903930321 0.41432088495056 138.905 > 12 13 La 0.16680939931011 0.62259555924973 0.57417220038520 138.905 > 13 14 La 0.33565487320865 0.12389096069678 0.91432088495056 138.905 > 14 15 La 0.47517161087433 0.58501185945854 0.19280056691007 138.905 > 15 16 La 0.47517161087433 0.91498814054146 0.69280056691007 138.905 > 16 *17 Ga 0.71996666762612 0.30838129295565 0.12917554147136 69.723 > 17 *18 Ga 0.84583979715766 0.81132896718004 0.38236053610345 69.723 > 18 19 Ga 0.71996666762612 0.19161870704435 0.62917554147136 69.723 > 19 20 Ga 0.84583979715766 0.68867103281996 0.88236053610345 69.723 > 20 21 Ga 0.15416020284234 0.31132896718004 0.11763946389655 69.723 > 21 22 Ga 0.28003333237388 0.80838129295565 0.37082445852864 69.723 > 22 23 Ga 0.15416020284234 0.18867103281996 0.61763946389655 69.723 > 23 24 Ga 0.28003333237388 0.69161870704435 0.87082445852864 69.723 > 24 *25 O 0.57419612299331 0.23178113052220 0.47606308264669 15.999 > 25 *26 O 0.57563874138293 0.50217102852759 0.39576605584839 15.999 > 26 *27 O 0.71493466638260 0.71807221935363 0.25069763926903 15.999 > 27 *28 O 0.73301622434597 0.21887858508142 0.26757876699226 15.999 > 28 29 O 0.57419612299331 0.26821886947780 0.97606308264669 15.999 > 29 30 O 0.57563874138293 0.99782897147241 0.89576605584839 15.999 > 30 *31 O 0.79486664954283 0.96423441056498 0.32018702553112 15.999 > 31 *32 O 0.72478372027584 0.46447583444320 0.17969582819300 15.999 > 32 33 O 0.71493466638260 0.78192778064637 0.75069763926903 15.999 > 33 34 O 0.73301622434597 0.28112141491858 0.76757876699226 15.999 > 34 *35 O 0.86292305583187 0.72749733064299 0.03936446983276 15.999 > 35 36 O 0.79486664954283 0.53576558943502 0.82018702553112 15.999 > 36 *37 O 0.93304757788390 0.24993823407610 0.11517914277290 15.999 > 37 *38 O 0.07153327672083 0.49026556674674 0.40026326969581 15.999 > 38 39 O 0.72478372027584 0.03552416555680 0.67969582819300 15.999 > 39 40 O 0.92846672327917 0.99026556674674 0.09973673030419 15.999 > 40 41 O 0.06695242211610 0.74993823407611 0.38482085722710 15.999 > 41 42 O 0.13707694416814 0.22749733064299 0.46063553016725 15.999 > 42 43 O 0.86292305583187 0.77250266935701 0.53936446983275 15.999 > 43 44 O 0.93304757788390 0.25006176592390 0.61517914277290 15.999 > 44 45 O 0.07153327672083 0.00973443325326 0.90026326969580 15.999 > 45 46 O 0.27521627972416 0.96447583444320 0.32030417180700 15.999 > 46 47 O 0.92846672327917 0.50973443325326 0.59973673030420 15.999 > 47 48 O 0.06695242211610 0.75006176592389 0.88482085722710 15.999 > 48 49 O 0.20513335045717 0.46423441056498 0.17981297446888 15.999 > 49 50 O 0.13707694416814 0.27250266935701 0.96063553016725 15.999 > 50 51 O 0.26698377565403 0.71887858508142 0.23242123300774 15.999 > 51 52 O 0.28506533361740 0.21807221935363 0.24930236073097 15.999 > 52 53 O 0.27521627972416 0.53552416555680 0.82030417180700 15.999 > 53 54 O 0.20513335045717 0.03576558943502 0.67981297446888 15.999 > 54 55 O 0.42436125861707 0.00217102852759 0.10423394415161 15.999 > 55 56 O 0.42580387700669 0.73178113052220 0.02393691735331 15.999 > 56 57 O 0.26698377565403 0.78112141491858 0.73242123300774 15.999 > 57 58 O 0.28506533361740 0.28192778064637 0.74930236073097 15.999 > 58 59 O 0.42436125861707 0.49782897147241 0.60423394415161 15.999 > 59 60 O 0.42580387700669 0.76821886947780 0.52393691735331 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.848944980638105 0.000000000000000 0.000000000000000 b 0.000000000000000 11.137036500000001 0.000000000000000 c -3.840440026846661 0.000000000000000 10.895084538373114 Atomic positions (fractional): *1 La 0.26241419456283 0.08501185945854 0.30719943308994 138.905 > 1 2 La 0.76241419456283 0.08501185945854 0.30719943308994 138.905 > 1 3 La 0.26241419456283 0.41498814054146 0.80719943308993 138.905 > 2 4 La 0.76241419456283 0.41498814054146 0.80719943308993 138.905 > 2 *5 La 0.33217256339568 0.87610903930322 0.08567911504944 138.905 > 3 6 La 0.83217256339568 0.87610903930322 0.08567911504944 138.905 > 3 *7 La 0.41659530034494 0.37740444075027 0.42582779961480 138.905 > 4 8 La 0.91659530034494 0.37740444075027 0.42582779961480 138.905 > 4 9 La 0.33217256339568 0.62389096069678 0.58567911504944 138.905 > 5 10 La 0.83217256339568 0.62389096069678 0.58567911504944 138.905 > 5 11 La 0.41659530034494 0.12259555924973 0.92582779961480 138.905 > 6 12 La 0.91659530034494 0.12259555924973 0.92582779961480 138.905 > 6 *13 La 0.48943578955600 0.59911665042392 0.21519446097955 138.905 > 7 14 La 0.98943578955600 0.59911665042392 0.21519446097955 138.905 > 7 15 La 0.01056421044400 0.09911665042392 0.28480553902045 138.905 > 8 16 La 0.51056421044400 0.09911665042392 0.28480553902045 138.905 > 8 17 La 0.48943578955600 0.90088334957608 0.71519446097955 138.905 > 9 18 La 0.98943578955600 0.90088334957608 0.71519446097955 138.905 > 9 19 La 0.01056421044400 0.40088334957608 0.78480553902045 138.905 > 10 20 La 0.51056421044400 0.40088334957608 0.78480553902045 138.905 > 10 21 La 0.08340469965506 0.87740444075027 0.07417220038520 138.905 > 11 22 La 0.58340469965506 0.87740444075027 0.07417220038520 138.905 > 11 23 La 0.16782743660432 0.37610903930321 0.41432088495056 138.905 > 12 24 La 0.66782743660432 0.37610903930321 0.41432088495056 138.905 > 12 25 La 0.08340469965506 0.62259555924973 0.57417220038520 138.905 > 13 26 La 0.58340469965506 0.62259555924973 0.57417220038520 138.905 > 13 27 La 0.16782743660432 0.12389096069678 0.91432088495056 138.905 > 14 28 La 0.66782743660432 0.12389096069678 0.91432088495056 138.905 > 14 29 La 0.23758580543717 0.58501185945854 0.19280056691007 138.905 > 15 30 La 0.73758580543717 0.58501185945854 0.19280056691007 138.905 > 15 31 La 0.23758580543717 0.91498814054146 0.69280056691007 138.905 > 16 32 La 0.73758580543717 0.91498814054146 0.69280056691007 138.905 > 16 *33 Ga 0.35998333381306 0.30838129295565 0.12917554147136 69.723 > 17 34 Ga 0.85998333381306 0.30838129295565 0.12917554147136 69.723 > 17 *35 Ga 0.42291989857883 0.81132896718004 0.38236053610345 69.723 > 18 36 Ga 0.92291989857883 0.81132896718004 0.38236053610345 69.723 > 18 37 Ga 0.35998333381306 0.19161870704435 0.62917554147136 69.723 > 19 38 Ga 0.85998333381306 0.19161870704435 0.62917554147136 69.723 > 19 39 Ga 0.42291989857883 0.68867103281996 0.88236053610345 69.723 > 20 40 Ga 0.92291989857883 0.68867103281996 0.88236053610345 69.723 > 20 41 Ga 0.07708010142117 0.31132896718004 0.11763946389655 69.723 > 21 42 Ga 0.57708010142117 0.31132896718004 0.11763946389655 69.723 > 21 43 Ga 0.14001666618694 0.80838129295565 0.37082445852864 69.723 > 22 44 Ga 0.64001666618694 0.80838129295565 0.37082445852864 69.723 > 22 45 Ga 0.07708010142117 0.18867103281996 0.61763946389655 69.723 > 23 46 Ga 0.57708010142117 0.18867103281996 0.61763946389655 69.723 > 23 47 Ga 0.14001666618694 0.69161870704435 0.87082445852864 69.723 > 24 48 Ga 0.64001666618694 0.69161870704435 0.87082445852864 69.723 > 24 *49 O 0.28709806149666 0.23178113052220 0.47606308264669 15.999 > 25 50 O 0.78709806149666 0.23178113052220 0.47606308264669 15.999 > 25 *51 O 0.28781937069147 0.50217102852759 0.39576605584839 15.999 > 26 52 O 0.78781937069147 0.50217102852759 0.39576605584839 15.999 > 26 *53 O 0.35746733319130 0.71807221935363 0.25069763926903 15.999 > 27 54 O 0.85746733319130 0.71807221935363 0.25069763926903 15.999 > 27 *55 O 0.36650811217299 0.21887858508142 0.26757876699226 15.999 > 28 56 O 0.86650811217299 0.21887858508142 0.26757876699226 15.999 > 28 57 O 0.28709806149666 0.26821886947780 0.97606308264669 15.999 > 29 58 O 0.78709806149666 0.26821886947780 0.97606308264669 15.999 > 29 59 O 0.28781937069147 0.99782897147241 0.89576605584839 15.999 > 30 60 O 0.78781937069147 0.99782897147241 0.89576605584839 15.999 > 30 *61 O 0.39743332477141 0.96423441056498 0.32018702553112 15.999 > 31 62 O 0.89743332477141 0.96423441056498 0.32018702553112 15.999 > 31 *63 O 0.36239186013792 0.46447583444320 0.17969582819300 15.999 > 32 64 O 0.86239186013792 0.46447583444320 0.17969582819300 15.999 > 32 65 O 0.35746733319130 0.78192778064637 0.75069763926903 15.999 > 33 66 O 0.85746733319130 0.78192778064637 0.75069763926903 15.999 > 33 67 O 0.36650811217299 0.28112141491858 0.76757876699226 15.999 > 34 68 O 0.86650811217299 0.28112141491858 0.76757876699226 15.999 > 34 *69 O 0.43146152791593 0.72749733064299 0.03936446983276 15.999 > 35 70 O 0.93146152791593 0.72749733064299 0.03936446983276 15.999 > 35 71 O 0.39743332477141 0.53576558943502 0.82018702553112 15.999 > 36 72 O 0.89743332477141 0.53576558943502 0.82018702553112 15.999 > 36 *73 O 0.46652378894195 0.24993823407610 0.11517914277290 15.999 > 37 74 O 0.96652378894195 0.24993823407610 0.11517914277290 15.999 > 37 *75 O 0.03576663836042 0.49026556674674 0.40026326969581 15.999 > 38 76 O 0.53576663836042 0.49026556674674 0.40026326969581 15.999 > 38 77 O 0.36239186013792 0.03552416555680 0.67969582819300 15.999 > 39 78 O 0.86239186013792 0.03552416555680 0.67969582819300 15.999 > 39 79 O 0.46423336163958 0.99026556674674 0.09973673030419 15.999 > 40 80 O 0.96423336163958 0.99026556674674 0.09973673030419 15.999 > 40 81 O 0.03347621105805 0.74993823407611 0.38482085722710 15.999 > 41 82 O 0.53347621105805 0.74993823407611 0.38482085722710 15.999 > 41 83 O 0.06853847208407 0.22749733064299 0.46063553016725 15.999 > 42 84 O 0.56853847208407 0.22749733064299 0.46063553016725 15.999 > 42 85 O 0.43146152791593 0.77250266935701 0.53936446983275 15.999 > 43 86 O 0.93146152791593 0.77250266935701 0.53936446983275 15.999 > 43 87 O 0.46652378894195 0.25006176592390 0.61517914277290 15.999 > 44 88 O 0.96652378894195 0.25006176592390 0.61517914277290 15.999 > 44 89 O 0.03576663836042 0.00973443325326 0.90026326969580 15.999 > 45 90 O 0.53576663836042 0.00973443325326 0.90026326969580 15.999 > 45 91 O 0.13760813986208 0.96447583444320 0.32030417180700 15.999 > 46 92 O 0.63760813986208 0.96447583444320 0.32030417180700 15.999 > 46 93 O 0.46423336163958 0.50973443325326 0.59973673030420 15.999 > 47 94 O 0.96423336163958 0.50973443325326 0.59973673030420 15.999 > 47 95 O 0.03347621105805 0.75006176592389 0.88482085722710 15.999 > 48 96 O 0.53347621105805 0.75006176592389 0.88482085722710 15.999 > 48 97 O 0.10256667522859 0.46423441056498 0.17981297446888 15.999 > 49 98 O 0.60256667522859 0.46423441056498 0.17981297446888 15.999 > 49 99 O 0.06853847208407 0.27250266935701 0.96063553016725 15.999 > 50 100 O 0.56853847208407 0.27250266935701 0.96063553016725 15.999 > 50 101 O 0.13349188782701 0.71887858508142 0.23242123300774 15.999 > 51 102 O 0.63349188782701 0.71887858508142 0.23242123300774 15.999 > 51 103 O 0.14253266680870 0.21807221935363 0.24930236073097 15.999 > 52 104 O 0.64253266680870 0.21807221935363 0.24930236073097 15.999 > 52 105 O 0.13760813986208 0.53552416555680 0.82030417180700 15.999 > 53 106 O 0.63760813986208 0.53552416555680 0.82030417180700 15.999 > 53 107 O 0.10256667522859 0.03576558943502 0.67981297446888 15.999 > 54 108 O 0.60256667522859 0.03576558943502 0.67981297446888 15.999 > 54 109 O 0.21218062930853 0.00217102852759 0.10423394415161 15.999 > 55 110 O 0.71218062930853 0.00217102852759 0.10423394415161 15.999 > 55 111 O 0.21290193850334 0.73178113052220 0.02393691735331 15.999 > 56 112 O 0.71290193850334 0.73178113052220 0.02393691735331 15.999 > 56 113 O 0.13349188782701 0.78112141491858 0.73242123300774 15.999 > 57 114 O 0.63349188782701 0.78112141491858 0.73242123300774 15.999 > 57 115 O 0.14253266680870 0.28192778064637 0.74930236073097 15.999 > 58 116 O 0.64253266680870 0.28192778064637 0.74930236073097 15.999 > 58 117 O 0.21218062930853 0.49782897147241 0.60423394415161 15.999 > 59 118 O 0.71218062930853 0.49782897147241 0.60423394415161 15.999 > 59 119 O 0.21290193850334 0.76821886947780 0.52393691735331 15.999 > 60 120 O 0.71290193850334 0.76821886947780 0.52393691735331 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9623199 0.0000000 0.0249028 0.0000000 4.0006651 0.0000000 0.0248019 0.0000000 3.9273793 -------------------------- Born effective charges -------------------------- 1 La 4.8708975 -0.0173735 0.0595258 -0.0448097 4.2659419 0.7951020 -0.0111185 0.8570902 3.6327662 2 La 4.8708975 0.0173735 0.0595258 0.0448097 4.2659419 -0.7951020 -0.0111185 -0.8570902 3.6327662 3 La 4.6904942 0.1011321 0.0156862 0.0852175 4.2703150 -0.4271634 0.0344233 -0.3735810 3.5502897 4 La 4.1904922 0.0708753 0.0721394 0.0741899 4.0967581 0.3000045 0.0681435 0.3265999 4.0683828 5 La 4.6904942 -0.1011321 0.0156862 -0.0852175 4.2703150 0.4271634 0.0344233 0.3735810 3.5502897 6 La 4.1904922 -0.0708753 0.0721394 -0.0741899 4.0967581 -0.3000045 0.0681435 -0.3265999 4.0683828 7 La 4.0951681 0.0240690 0.0397052 0.0136489 4.3047079 -0.6325214 0.1113193 -0.7462583 4.0397012 8 La 4.0951681 -0.0240690 0.0397052 -0.0136489 4.3047079 0.6325214 0.1113193 0.7462583 4.0397012 9 La 4.0951681 -0.0240690 0.0397052 -0.0136489 4.3047079 0.6325214 0.1113193 0.7462583 4.0397012 10 La 4.0951681 0.0240690 0.0397052 0.0136489 4.3047079 -0.6325214 0.1113193 -0.7462583 4.0397012 11 La 4.1904922 -0.0708753 0.0721394 -0.0741899 4.0967581 -0.3000045 0.0681435 -0.3265999 4.0683828 12 La 4.6904942 -0.1011321 0.0156862 -0.0852175 4.2703150 0.4271634 0.0344233 0.3735810 3.5502897 13 La 4.1904922 0.0708753 0.0721394 0.0741899 4.0967581 0.3000045 0.0681435 0.3265999 4.0683828 14 La 4.6904942 0.1011321 0.0156862 0.0852175 4.2703150 -0.4271634 0.0344233 -0.3735810 3.5502897 15 La 4.8708975 0.0173735 0.0595258 0.0448097 4.2659419 -0.7951020 -0.0111185 -0.8570902 3.6327662 16 La 4.8708975 -0.0173735 0.0595258 -0.0448097 4.2659419 0.7951020 -0.0111185 0.8570902 3.6327662 17 Ga 2.1471488 -0.2333667 -0.0090303 -0.2871418 2.6505036 0.3216865 0.0532711 0.3576175 2.9276430 18 Ga 2.1340055 -0.2342453 0.0349184 -0.2828766 2.6412936 -0.2417262 -0.0341582 -0.3765212 3.0080028 19 Ga 2.1471488 0.2333667 -0.0090303 0.2871418 2.6505036 -0.3216865 0.0532711 -0.3576175 2.9276430 20 Ga 2.1340055 0.2342453 0.0349184 0.2828766 2.6412936 0.2417262 -0.0341582 0.3765212 3.0080028 21 Ga 2.1340055 0.2342453 0.0349184 0.2828766 2.6412936 0.2417262 -0.0341582 0.3765212 3.0080028 22 Ga 2.1471488 0.2333667 -0.0090303 0.2871418 2.6505036 -0.3216865 0.0532711 -0.3576175 2.9276430 23 Ga 2.1340055 -0.2342453 0.0349184 -0.2828766 2.6412936 -0.2417262 -0.0341582 -0.3765212 3.0080028 24 Ga 2.1471488 -0.2333667 -0.0090303 -0.2871418 2.6505036 0.3216865 0.0532711 0.3576175 2.9276430 25 O -2.1596213 0.3496940 -0.4405768 0.2908331 -2.2766787 0.0455531 -0.3046784 -0.0576940 -2.6301415 26 O -2.7512177 0.0634620 -0.0388725 0.0038820 -2.3756955 0.1855919 -0.0616465 0.1198442 -2.7339535 27 O -2.4616988 -0.4901610 -0.3896838 -0.3748148 -2.6020764 -0.1129756 -0.2354373 0.0465573 -2.1850792 28 O -2.4594319 -0.4202605 0.3179784 -0.2822348 -2.6346362 -0.0881514 0.1764813 -0.2018062 -2.2488330 29 O -2.1596213 -0.3496940 -0.4405768 -0.2908331 -2.2766787 -0.0455531 -0.3046784 0.0576940 -2.6301415 30 O -2.7512177 -0.0634620 -0.0388725 -0.0038820 -2.3756955 -0.1855919 -0.0616465 -0.1198442 -2.7339535 31 O -2.3470227 0.0320080 0.0021277 0.1091816 -2.7824674 0.2956618 -0.0021443 0.2639565 -1.8730360 32 O -2.3748663 0.0411047 -0.0527620 0.1237972 -2.8743772 -0.3144706 -0.0287121 -0.3123428 -1.8244826 33 O -2.4616988 0.4901610 -0.3896838 0.3748148 -2.6020764 0.1129756 -0.2354373 -0.0465573 -2.1850792 34 O -2.4594319 0.4202605 0.3179784 0.2822348 -2.6346362 0.0881514 0.1764813 0.2018062 -2.2488330 35 O -2.0711934 0.3096581 0.3425385 0.2560401 -2.2175833 0.2001220 0.2051734 0.2050974 -2.8794975 36 O -2.3470227 -0.0320080 0.0021277 -0.1091816 -2.7824674 -0.2956618 -0.0021443 -0.2639565 -1.8730360 37 O -2.6725714 -0.0097082 0.0208080 -0.0022111 -1.9809537 -0.1055905 -0.0035880 -0.1653399 -2.1958774 38 O -2.8305827 -0.0741293 0.0254977 -0.0175376 -2.4850518 0.1420258 0.0326714 0.1394463 -2.6558848 39 O -2.3748663 -0.0411047 -0.0527620 -0.1237972 -2.8743772 0.3144706 -0.0287121 0.3123428 -1.8244826 40 O -2.8305827 0.0741293 0.0254977 0.0175376 -2.4850518 -0.1420258 0.0326714 -0.1394463 -2.6558848 41 O -2.6725714 0.0097082 0.0208080 0.0022111 -1.9809537 0.1055905 -0.0035880 0.1653399 -2.1958774 42 O -2.0711934 -0.3096581 0.3425385 -0.2560401 -2.2175833 -0.2001220 0.2051734 -0.2050974 -2.8794975 43 O -2.0711934 -0.3096581 0.3425385 -0.2560401 -2.2175833 -0.2001220 0.2051734 -0.2050974 -2.8794975 44 O -2.6725714 0.0097082 0.0208080 0.0022111 -1.9809537 0.1055905 -0.0035880 0.1653399 -2.1958774 45 O -2.8305827 0.0741293 0.0254977 0.0175376 -2.4850518 -0.1420258 0.0326714 -0.1394463 -2.6558848 46 O -2.3748663 -0.0411047 -0.0527620 -0.1237972 -2.8743772 0.3144706 -0.0287121 0.3123428 -1.8244826 47 O -2.8305827 -0.0741293 0.0254977 -0.0175376 -2.4850518 0.1420258 0.0326714 0.1394463 -2.6558848 48 O -2.6725714 -0.0097082 0.0208080 -0.0022111 -1.9809537 -0.1055905 -0.0035880 -0.1653399 -2.1958774 49 O -2.3470227 -0.0320080 0.0021277 -0.1091816 -2.7824674 -0.2956618 -0.0021443 -0.2639565 -1.8730360 50 O -2.0711934 0.3096581 0.3425385 0.2560401 -2.2175833 0.2001220 0.2051734 0.2050974 -2.8794975 51 O -2.4594319 0.4202605 0.3179784 0.2822348 -2.6346362 0.0881514 0.1764813 0.2018062 -2.2488330 52 O -2.4616988 0.4901610 -0.3896838 0.3748148 -2.6020764 0.1129756 -0.2354373 -0.0465573 -2.1850792 53 O -2.3748663 0.0411047 -0.0527620 0.1237972 -2.8743772 -0.3144706 -0.0287121 -0.3123428 -1.8244826 54 O -2.3470227 0.0320080 0.0021277 0.1091816 -2.7824674 0.2956618 -0.0021443 0.2639565 -1.8730360 55 O -2.7512177 -0.0634620 -0.0388725 -0.0038820 -2.3756955 -0.1855919 -0.0616465 -0.1198442 -2.7339535 56 O -2.1596213 -0.3496940 -0.4405768 -0.2908331 -2.2766787 -0.0455531 -0.3046784 0.0576940 -2.6301415 57 O -2.4594319 -0.4202605 0.3179784 -0.2822348 -2.6346362 -0.0881514 0.1764813 -0.2018062 -2.2488330 58 O -2.4616988 -0.4901610 -0.3896838 -0.3748148 -2.6020764 -0.1129756 -0.2354373 0.0465573 -2.1850792 59 O -2.7512177 0.0634620 -0.0388725 0.0038820 -2.3756955 0.1855919 -0.0616465 0.1198442 -2.7339535 60 O -2.1596213 0.3496940 -0.4405768 0.2908331 -2.2766787 0.0455531 -0.3046784 -0.0576940 -2.6301415 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.391 Solver_block: 200 / 1840 - Time: 2.064 Solver_block: 300 / 1840 - Time: 2.054 Solver_block: 400 / 1840 - Time: 2.066 Solver_block: 500 / 1840 - Time: 2.057 Solver_block: 600 / 1840 - Time: 2.068 Solver_block: 700 / 1840 - Time: 2.066 Solver_block: 800 / 1840 - Time: 2.059 Solver_block: 900 / 1840 - Time: 2.060 Solver_block: 1000 / 1840 - Time: 2.063 Solver_block: 1100 / 1840 - Time: 2.058 Solver_block: 1200 / 1840 - Time: 2.054 Solver_block: 1300 / 1840 - Time: 2.060 Solver_block: 1400 / 1840 - Time: 2.055 Solver_block: 1500 / 1840 - Time: 2.053 Solver_block: 1600 / 1840 - Time: 2.070 Solver_block: 1700 / 1840 - Time: 2.056 Solver_block: 1800 / 1840 - Time: 2.051 Solver_block: 1840 / 1840 - Time: 1.034 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 39.520 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:45:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:45:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.924472490319053 0.000000000000000 0.000000000000000 b 0.000000000000000 11.137036500000001 0.000000000000000 c -3.840440026846661 0.000000000000000 10.895084538373114 Atomic positions (fractional): 1 La 0.52482838912567 0.08501185945854 0.30719943308994 138.905 2 La 0.52482838912567 0.41498814054146 0.80719943308993 138.905 3 La 0.66434512679135 0.87610903930322 0.08567911504944 138.905 4 La 0.83319060068989 0.37740444075027 0.42582779961480 138.905 5 La 0.66434512679135 0.62389096069678 0.58567911504944 138.905 6 La 0.83319060068989 0.12259555924973 0.92582779961480 138.905 7 La 0.97887157911200 0.59911665042392 0.21519446097955 138.905 8 La 0.02112842088800 0.09911665042392 0.28480553902045 138.905 9 La 0.97887157911200 0.90088334957608 0.71519446097955 138.905 10 La 0.02112842088800 0.40088334957608 0.78480553902045 138.905 11 La 0.16680939931011 0.87740444075027 0.07417220038520 138.905 12 La 0.33565487320865 0.37610903930321 0.41432088495056 138.905 13 La 0.16680939931011 0.62259555924973 0.57417220038520 138.905 14 La 0.33565487320865 0.12389096069678 0.91432088495056 138.905 15 La 0.47517161087433 0.58501185945854 0.19280056691007 138.905 16 La 0.47517161087433 0.91498814054146 0.69280056691007 138.905 17 Ga 0.71996666762612 0.30838129295565 0.12917554147136 69.723 18 Ga 0.84583979715766 0.81132896718004 0.38236053610345 69.723 19 Ga 0.71996666762612 0.19161870704435 0.62917554147136 69.723 20 Ga 0.84583979715766 0.68867103281996 0.88236053610345 69.723 21 Ga 0.15416020284234 0.31132896718004 0.11763946389655 69.723 22 Ga 0.28003333237388 0.80838129295565 0.37082445852864 69.723 23 Ga 0.15416020284234 0.18867103281996 0.61763946389655 69.723 24 Ga 0.28003333237388 0.69161870704435 0.87082445852864 69.723 25 O 0.57419612299331 0.23178113052220 0.47606308264669 15.999 26 O 0.57563874138293 0.50217102852759 0.39576605584839 15.999 27 O 0.71493466638260 0.71807221935363 0.25069763926903 15.999 28 O 0.73301622434597 0.21887858508142 0.26757876699226 15.999 29 O 0.57419612299331 0.26821886947780 0.97606308264669 15.999 30 O 0.57563874138293 0.99782897147241 0.89576605584839 15.999 31 O 0.79486664954283 0.96423441056498 0.32018702553112 15.999 32 O 0.72478372027584 0.46447583444320 0.17969582819300 15.999 33 O 0.71493466638260 0.78192778064637 0.75069763926903 15.999 34 O 0.73301622434597 0.28112141491858 0.76757876699226 15.999 35 O 0.86292305583187 0.72749733064299 0.03936446983276 15.999 36 O 0.79486664954283 0.53576558943502 0.82018702553112 15.999 37 O 0.93304757788390 0.24993823407610 0.11517914277290 15.999 38 O 0.07153327672083 0.49026556674674 0.40026326969581 15.999 39 O 0.72478372027584 0.03552416555680 0.67969582819300 15.999 40 O 0.92846672327917 0.99026556674674 0.09973673030419 15.999 41 O 0.06695242211610 0.74993823407611 0.38482085722710 15.999 42 O 0.13707694416814 0.22749733064299 0.46063553016725 15.999 43 O 0.86292305583187 0.77250266935701 0.53936446983275 15.999 44 O 0.93304757788390 0.25006176592390 0.61517914277290 15.999 45 O 0.07153327672083 0.00973443325326 0.90026326969580 15.999 46 O 0.27521627972416 0.96447583444320 0.32030417180700 15.999 47 O 0.92846672327917 0.50973443325326 0.59973673030420 15.999 48 O 0.06695242211610 0.75006176592389 0.88482085722710 15.999 49 O 0.20513335045717 0.46423441056498 0.17981297446888 15.999 50 O 0.13707694416814 0.27250266935701 0.96063553016725 15.999 51 O 0.26698377565403 0.71887858508142 0.23242123300774 15.999 52 O 0.28506533361740 0.21807221935363 0.24930236073097 15.999 53 O 0.27521627972416 0.53552416555680 0.82030417180700 15.999 54 O 0.20513335045717 0.03576558943502 0.67981297446888 15.999 55 O 0.42436125861707 0.00217102852759 0.10423394415161 15.999 56 O 0.42580387700669 0.73178113052220 0.02393691735331 15.999 57 O 0.26698377565403 0.78112141491858 0.73242123300774 15.999 58 O 0.28506533361740 0.28192778064637 0.74930236073097 15.999 59 O 0.42436125861707 0.49782897147241 0.60423394415161 15.999 60 O 0.42580387700669 0.76821886947780 0.52393691735331 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.848944980638105 0.000000000000000 0.000000000000000 b 0.000000000000000 11.137036500000001 0.000000000000000 c -3.840440026846661 0.000000000000000 10.895084538373114 Atomic positions (fractional): 1 La 0.26241419456283 0.08501185945854 0.30719943308994 138.905 > 1 2 La 0.76241419456283 0.08501185945854 0.30719943308994 138.905 > 1 3 La 0.26241419456283 0.41498814054146 0.80719943308993 138.905 > 3 4 La 0.76241419456283 0.41498814054146 0.80719943308993 138.905 > 3 5 La 0.33217256339568 0.87610903930322 0.08567911504944 138.905 > 5 6 La 0.83217256339568 0.87610903930322 0.08567911504944 138.905 > 5 7 La 0.41659530034494 0.37740444075027 0.42582779961480 138.905 > 7 8 La 0.91659530034494 0.37740444075027 0.42582779961480 138.905 > 7 9 La 0.33217256339568 0.62389096069678 0.58567911504944 138.905 > 9 10 La 0.83217256339568 0.62389096069678 0.58567911504944 138.905 > 9 11 La 0.41659530034494 0.12259555924973 0.92582779961480 138.905 > 11 12 La 0.91659530034494 0.12259555924973 0.92582779961480 138.905 > 11 13 La 0.48943578955600 0.59911665042392 0.21519446097955 138.905 > 13 14 La 0.98943578955600 0.59911665042392 0.21519446097955 138.905 > 13 15 La 0.01056421044400 0.09911665042392 0.28480553902045 138.905 > 15 16 La 0.51056421044400 0.09911665042392 0.28480553902045 138.905 > 15 17 La 0.48943578955600 0.90088334957608 0.71519446097955 138.905 > 17 18 La 0.98943578955600 0.90088334957608 0.71519446097955 138.905 > 17 19 La 0.01056421044400 0.40088334957608 0.78480553902045 138.905 > 19 20 La 0.51056421044400 0.40088334957608 0.78480553902045 138.905 > 19 21 La 0.08340469965506 0.87740444075027 0.07417220038520 138.905 > 21 22 La 0.58340469965506 0.87740444075027 0.07417220038520 138.905 > 21 23 La 0.16782743660432 0.37610903930321 0.41432088495056 138.905 > 23 24 La 0.66782743660432 0.37610903930321 0.41432088495056 138.905 > 23 25 La 0.08340469965506 0.62259555924973 0.57417220038520 138.905 > 25 26 La 0.58340469965506 0.62259555924973 0.57417220038520 138.905 > 25 27 La 0.16782743660432 0.12389096069678 0.91432088495056 138.905 > 27 28 La 0.66782743660432 0.12389096069678 0.91432088495056 138.905 > 27 29 La 0.23758580543717 0.58501185945854 0.19280056691007 138.905 > 29 30 La 0.73758580543717 0.58501185945854 0.19280056691007 138.905 > 29 31 La 0.23758580543717 0.91498814054146 0.69280056691007 138.905 > 31 32 La 0.73758580543717 0.91498814054146 0.69280056691007 138.905 > 31 33 Ga 0.35998333381306 0.30838129295565 0.12917554147136 69.723 > 33 34 Ga 0.85998333381306 0.30838129295565 0.12917554147136 69.723 > 33 35 Ga 0.42291989857883 0.81132896718004 0.38236053610345 69.723 > 35 36 Ga 0.92291989857883 0.81132896718004 0.38236053610345 69.723 > 35 37 Ga 0.35998333381306 0.19161870704435 0.62917554147136 69.723 > 37 38 Ga 0.85998333381306 0.19161870704435 0.62917554147136 69.723 > 37 39 Ga 0.42291989857883 0.68867103281996 0.88236053610345 69.723 > 39 40 Ga 0.92291989857883 0.68867103281996 0.88236053610345 69.723 > 39 41 Ga 0.07708010142117 0.31132896718004 0.11763946389655 69.723 > 41 42 Ga 0.57708010142117 0.31132896718004 0.11763946389655 69.723 > 41 43 Ga 0.14001666618694 0.80838129295565 0.37082445852864 69.723 > 43 44 Ga 0.64001666618694 0.80838129295565 0.37082445852864 69.723 > 43 45 Ga 0.07708010142117 0.18867103281996 0.61763946389655 69.723 > 45 46 Ga 0.57708010142117 0.18867103281996 0.61763946389655 69.723 > 45 47 Ga 0.14001666618694 0.69161870704435 0.87082445852864 69.723 > 47 48 Ga 0.64001666618694 0.69161870704435 0.87082445852864 69.723 > 47 49 O 0.28709806149666 0.23178113052220 0.47606308264669 15.999 > 49 50 O 0.78709806149666 0.23178113052220 0.47606308264669 15.999 > 49 51 O 0.28781937069147 0.50217102852759 0.39576605584839 15.999 > 51 52 O 0.78781937069147 0.50217102852759 0.39576605584839 15.999 > 51 53 O 0.35746733319130 0.71807221935363 0.25069763926903 15.999 > 53 54 O 0.85746733319130 0.71807221935363 0.25069763926903 15.999 > 53 55 O 0.36650811217299 0.21887858508142 0.26757876699226 15.999 > 55 56 O 0.86650811217299 0.21887858508142 0.26757876699226 15.999 > 55 57 O 0.28709806149666 0.26821886947780 0.97606308264669 15.999 > 57 58 O 0.78709806149666 0.26821886947780 0.97606308264669 15.999 > 57 59 O 0.28781937069147 0.99782897147241 0.89576605584839 15.999 > 59 60 O 0.78781937069147 0.99782897147241 0.89576605584839 15.999 > 59 61 O 0.39743332477141 0.96423441056498 0.32018702553112 15.999 > 61 62 O 0.89743332477141 0.96423441056498 0.32018702553112 15.999 > 61 63 O 0.36239186013792 0.46447583444320 0.17969582819300 15.999 > 63 64 O 0.86239186013792 0.46447583444320 0.17969582819300 15.999 > 63 65 O 0.35746733319130 0.78192778064637 0.75069763926903 15.999 > 65 66 O 0.85746733319130 0.78192778064637 0.75069763926903 15.999 > 65 67 O 0.36650811217299 0.28112141491858 0.76757876699226 15.999 > 67 68 O 0.86650811217299 0.28112141491858 0.76757876699226 15.999 > 67 69 O 0.43146152791593 0.72749733064299 0.03936446983276 15.999 > 69 70 O 0.93146152791593 0.72749733064299 0.03936446983276 15.999 > 69 71 O 0.39743332477141 0.53576558943502 0.82018702553112 15.999 > 71 72 O 0.89743332477141 0.53576558943502 0.82018702553112 15.999 > 71 73 O 0.46652378894195 0.24993823407610 0.11517914277290 15.999 > 73 74 O 0.96652378894195 0.24993823407610 0.11517914277290 15.999 > 73 75 O 0.03576663836042 0.49026556674674 0.40026326969581 15.999 > 75 76 O 0.53576663836042 0.49026556674674 0.40026326969581 15.999 > 75 77 O 0.36239186013792 0.03552416555680 0.67969582819300 15.999 > 77 78 O 0.86239186013792 0.03552416555680 0.67969582819300 15.999 > 77 79 O 0.46423336163958 0.99026556674674 0.09973673030419 15.999 > 79 80 O 0.96423336163958 0.99026556674674 0.09973673030419 15.999 > 79 81 O 0.03347621105805 0.74993823407611 0.38482085722710 15.999 > 81 82 O 0.53347621105805 0.74993823407611 0.38482085722710 15.999 > 81 83 O 0.06853847208407 0.22749733064299 0.46063553016725 15.999 > 83 84 O 0.56853847208407 0.22749733064299 0.46063553016725 15.999 > 83 85 O 0.43146152791593 0.77250266935701 0.53936446983275 15.999 > 85 86 O 0.93146152791593 0.77250266935701 0.53936446983275 15.999 > 85 87 O 0.46652378894195 0.25006176592390 0.61517914277290 15.999 > 87 88 O 0.96652378894195 0.25006176592390 0.61517914277290 15.999 > 87 89 O 0.03576663836042 0.00973443325326 0.90026326969580 15.999 > 89 90 O 0.53576663836042 0.00973443325326 0.90026326969580 15.999 > 89 91 O 0.13760813986208 0.96447583444320 0.32030417180700 15.999 > 91 92 O 0.63760813986208 0.96447583444320 0.32030417180700 15.999 > 91 93 O 0.46423336163958 0.50973443325326 0.59973673030420 15.999 > 93 94 O 0.96423336163958 0.50973443325326 0.59973673030420 15.999 > 93 95 O 0.03347621105805 0.75006176592389 0.88482085722710 15.999 > 95 96 O 0.53347621105805 0.75006176592389 0.88482085722710 15.999 > 95 97 O 0.10256667522859 0.46423441056498 0.17981297446888 15.999 > 97 98 O 0.60256667522859 0.46423441056498 0.17981297446888 15.999 > 97 99 O 0.06853847208407 0.27250266935701 0.96063553016725 15.999 > 99 100 O 0.56853847208407 0.27250266935701 0.96063553016725 15.999 > 99 101 O 0.13349188782701 0.71887858508142 0.23242123300774 15.999 > 101 102 O 0.63349188782701 0.71887858508142 0.23242123300774 15.999 > 101 103 O 0.14253266680870 0.21807221935363 0.24930236073097 15.999 > 103 104 O 0.64253266680870 0.21807221935363 0.24930236073097 15.999 > 103 105 O 0.13760813986208 0.53552416555680 0.82030417180700 15.999 > 105 106 O 0.63760813986208 0.53552416555680 0.82030417180700 15.999 > 105 107 O 0.10256667522859 0.03576558943502 0.67981297446888 15.999 > 107 108 O 0.60256667522859 0.03576558943502 0.67981297446888 15.999 > 107 109 O 0.21218062930853 0.00217102852759 0.10423394415161 15.999 > 109 110 O 0.71218062930853 0.00217102852759 0.10423394415161 15.999 > 109 111 O 0.21290193850334 0.73178113052220 0.02393691735331 15.999 > 111 112 O 0.71290193850334 0.73178113052220 0.02393691735331 15.999 > 111 113 O 0.13349188782701 0.78112141491858 0.73242123300774 15.999 > 113 114 O 0.63349188782701 0.78112141491858 0.73242123300774 15.999 > 113 115 O 0.14253266680870 0.28192778064637 0.74930236073097 15.999 > 115 116 O 0.64253266680870 0.28192778064637 0.74930236073097 15.999 > 115 117 O 0.21218062930853 0.49782897147241 0.60423394415161 15.999 > 117 118 O 0.71218062930853 0.49782897147241 0.60423394415161 15.999 > 117 119 O 0.21290193850334 0.76821886947780 0.52393691735331 15.999 > 119 120 O 0.71290193850334 0.76821886947780 0.52393691735331 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9623199 0.0000000 0.0249028 0.0000000 4.0006651 0.0000000 0.0248019 0.0000000 3.9273793 -------------------------- Born effective charges -------------------------- 1 La 4.8708975 -0.0173735 0.0595258 -0.0448097 4.2659419 0.7951020 -0.0111185 0.8570902 3.6327662 2 La 4.8708975 0.0173735 0.0595258 0.0448097 4.2659419 -0.7951020 -0.0111185 -0.8570902 3.6327662 3 La 4.6904942 0.1011321 0.0156862 0.0852175 4.2703150 -0.4271634 0.0344233 -0.3735810 3.5502897 4 La 4.1904922 0.0708753 0.0721394 0.0741899 4.0967581 0.3000045 0.0681435 0.3265999 4.0683828 5 La 4.6904942 -0.1011321 0.0156862 -0.0852175 4.2703150 0.4271634 0.0344233 0.3735810 3.5502897 6 La 4.1904922 -0.0708753 0.0721394 -0.0741899 4.0967581 -0.3000045 0.0681435 -0.3265999 4.0683828 7 La 4.0951681 0.0240690 0.0397052 0.0136489 4.3047079 -0.6325214 0.1113193 -0.7462583 4.0397012 8 La 4.0951681 -0.0240690 0.0397052 -0.0136489 4.3047079 0.6325214 0.1113193 0.7462583 4.0397012 9 La 4.0951681 -0.0240690 0.0397052 -0.0136489 4.3047079 0.6325214 0.1113193 0.7462583 4.0397012 10 La 4.0951681 0.0240690 0.0397052 0.0136489 4.3047079 -0.6325214 0.1113193 -0.7462583 4.0397012 11 La 4.1904922 -0.0708753 0.0721394 -0.0741899 4.0967581 -0.3000045 0.0681435 -0.3265999 4.0683828 12 La 4.6904942 -0.1011321 0.0156862 -0.0852175 4.2703150 0.4271634 0.0344233 0.3735810 3.5502897 13 La 4.1904922 0.0708753 0.0721394 0.0741899 4.0967581 0.3000045 0.0681435 0.3265999 4.0683828 14 La 4.6904942 0.1011321 0.0156862 0.0852175 4.2703150 -0.4271634 0.0344233 -0.3735810 3.5502897 15 La 4.8708975 0.0173735 0.0595258 0.0448097 4.2659419 -0.7951020 -0.0111185 -0.8570902 3.6327662 16 La 4.8708975 -0.0173735 0.0595258 -0.0448097 4.2659419 0.7951020 -0.0111185 0.8570902 3.6327662 17 Ga 2.1471488 -0.2333667 -0.0090303 -0.2871418 2.6505036 0.3216865 0.0532711 0.3576175 2.9276430 18 Ga 2.1340055 -0.2342453 0.0349184 -0.2828766 2.6412936 -0.2417262 -0.0341582 -0.3765212 3.0080028 19 Ga 2.1471488 0.2333667 -0.0090303 0.2871418 2.6505036 -0.3216865 0.0532711 -0.3576175 2.9276430 20 Ga 2.1340055 0.2342453 0.0349184 0.2828766 2.6412936 0.2417262 -0.0341582 0.3765212 3.0080028 21 Ga 2.1340055 0.2342453 0.0349184 0.2828766 2.6412936 0.2417262 -0.0341582 0.3765212 3.0080028 22 Ga 2.1471488 0.2333667 -0.0090303 0.2871418 2.6505036 -0.3216865 0.0532711 -0.3576175 2.9276430 23 Ga 2.1340055 -0.2342453 0.0349184 -0.2828766 2.6412936 -0.2417262 -0.0341582 -0.3765212 3.0080028 24 Ga 2.1471488 -0.2333667 -0.0090303 -0.2871418 2.6505036 0.3216865 0.0532711 0.3576175 2.9276430 25 O -2.1596213 0.3496940 -0.4405768 0.2908331 -2.2766787 0.0455531 -0.3046784 -0.0576940 -2.6301415 26 O -2.7512177 0.0634620 -0.0388725 0.0038820 -2.3756955 0.1855919 -0.0616465 0.1198442 -2.7339535 27 O -2.4616988 -0.4901610 -0.3896838 -0.3748148 -2.6020764 -0.1129756 -0.2354373 0.0465573 -2.1850792 28 O -2.4594319 -0.4202605 0.3179784 -0.2822348 -2.6346362 -0.0881514 0.1764813 -0.2018062 -2.2488330 29 O -2.1596213 -0.3496940 -0.4405768 -0.2908331 -2.2766787 -0.0455531 -0.3046784 0.0576940 -2.6301415 30 O -2.7512177 -0.0634620 -0.0388725 -0.0038820 -2.3756955 -0.1855919 -0.0616465 -0.1198442 -2.7339535 31 O -2.3470227 0.0320080 0.0021277 0.1091816 -2.7824674 0.2956618 -0.0021443 0.2639565 -1.8730360 32 O -2.3748663 0.0411047 -0.0527620 0.1237972 -2.8743772 -0.3144706 -0.0287121 -0.3123428 -1.8244826 33 O -2.4616988 0.4901610 -0.3896838 0.3748148 -2.6020764 0.1129756 -0.2354373 -0.0465573 -2.1850792 34 O -2.4594319 0.4202605 0.3179784 0.2822348 -2.6346362 0.0881514 0.1764813 0.2018062 -2.2488330 35 O -2.0711934 0.3096581 0.3425385 0.2560401 -2.2175833 0.2001220 0.2051734 0.2050974 -2.8794975 36 O -2.3470227 -0.0320080 0.0021277 -0.1091816 -2.7824674 -0.2956618 -0.0021443 -0.2639565 -1.8730360 37 O -2.6725714 -0.0097082 0.0208080 -0.0022111 -1.9809537 -0.1055905 -0.0035880 -0.1653399 -2.1958774 38 O -2.8305827 -0.0741293 0.0254977 -0.0175376 -2.4850518 0.1420258 0.0326714 0.1394463 -2.6558848 39 O -2.3748663 -0.0411047 -0.0527620 -0.1237972 -2.8743772 0.3144706 -0.0287121 0.3123428 -1.8244826 40 O -2.8305827 0.0741293 0.0254977 0.0175376 -2.4850518 -0.1420258 0.0326714 -0.1394463 -2.6558848 41 O -2.6725714 0.0097082 0.0208080 0.0022111 -1.9809537 0.1055905 -0.0035880 0.1653399 -2.1958774 42 O -2.0711934 -0.3096581 0.3425385 -0.2560401 -2.2175833 -0.2001220 0.2051734 -0.2050974 -2.8794975 43 O -2.0711934 -0.3096581 0.3425385 -0.2560401 -2.2175833 -0.2001220 0.2051734 -0.2050974 -2.8794975 44 O -2.6725714 0.0097082 0.0208080 0.0022111 -1.9809537 0.1055905 -0.0035880 0.1653399 -2.1958774 45 O -2.8305827 0.0741293 0.0254977 0.0175376 -2.4850518 -0.1420258 0.0326714 -0.1394463 -2.6558848 46 O -2.3748663 -0.0411047 -0.0527620 -0.1237972 -2.8743772 0.3144706 -0.0287121 0.3123428 -1.8244826 47 O -2.8305827 -0.0741293 0.0254977 -0.0175376 -2.4850518 0.1420258 0.0326714 0.1394463 -2.6558848 48 O -2.6725714 -0.0097082 0.0208080 -0.0022111 -1.9809537 -0.1055905 -0.0035880 -0.1653399 -2.1958774 49 O -2.3470227 -0.0320080 0.0021277 -0.1091816 -2.7824674 -0.2956618 -0.0021443 -0.2639565 -1.8730360 50 O -2.0711934 0.3096581 0.3425385 0.2560401 -2.2175833 0.2001220 0.2051734 0.2050974 -2.8794975 51 O -2.4594319 0.4202605 0.3179784 0.2822348 -2.6346362 0.0881514 0.1764813 0.2018062 -2.2488330 52 O -2.4616988 0.4901610 -0.3896838 0.3748148 -2.6020764 0.1129756 -0.2354373 -0.0465573 -2.1850792 53 O -2.3748663 0.0411047 -0.0527620 0.1237972 -2.8743772 -0.3144706 -0.0287121 -0.3123428 -1.8244826 54 O -2.3470227 0.0320080 0.0021277 0.1091816 -2.7824674 0.2956618 -0.0021443 0.2639565 -1.8730360 55 O -2.7512177 -0.0634620 -0.0388725 -0.0038820 -2.3756955 -0.1855919 -0.0616465 -0.1198442 -2.7339535 56 O -2.1596213 -0.3496940 -0.4405768 -0.2908331 -2.2766787 -0.0455531 -0.3046784 0.0576940 -2.6301415 57 O -2.4594319 -0.4202605 0.3179784 -0.2822348 -2.6346362 -0.0881514 0.1764813 -0.2018062 -2.2488330 58 O -2.4616988 -0.4901610 -0.3896838 -0.3748148 -2.6020764 -0.1129756 -0.2354373 0.0465573 -2.1850792 59 O -2.7512177 0.0634620 -0.0388725 0.0038820 -2.3756955 0.1855919 -0.0616465 0.1198442 -2.7339535 60 O -2.1596213 0.3496940 -0.4405768 0.2908331 -2.2766787 0.0455531 -0.3046784 -0.0576940 -2.6301415 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:47:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:47:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.924472490319053 0.000000000000000 0.000000000000000 b 0.000000000000000 11.137036500000001 0.000000000000000 c -3.840440026846661 0.000000000000000 10.895084538373114 Atomic positions (fractional): 1 La 0.52482838912567 0.08501185945854 0.30719943308994 138.905 2 La 0.52482838912567 0.41498814054146 0.80719943308993 138.905 3 La 0.66434512679135 0.87610903930322 0.08567911504944 138.905 4 La 0.83319060068989 0.37740444075027 0.42582779961480 138.905 5 La 0.66434512679135 0.62389096069678 0.58567911504944 138.905 6 La 0.83319060068989 0.12259555924973 0.92582779961480 138.905 7 La 0.97887157911200 0.59911665042392 0.21519446097955 138.905 8 La 0.02112842088800 0.09911665042392 0.28480553902045 138.905 9 La 0.97887157911200 0.90088334957608 0.71519446097955 138.905 10 La 0.02112842088800 0.40088334957608 0.78480553902045 138.905 11 La 0.16680939931011 0.87740444075027 0.07417220038520 138.905 12 La 0.33565487320865 0.37610903930321 0.41432088495056 138.905 13 La 0.16680939931011 0.62259555924973 0.57417220038520 138.905 14 La 0.33565487320865 0.12389096069678 0.91432088495056 138.905 15 La 0.47517161087433 0.58501185945854 0.19280056691007 138.905 16 La 0.47517161087433 0.91498814054146 0.69280056691007 138.905 17 Ga 0.71996666762612 0.30838129295565 0.12917554147136 69.723 18 Ga 0.84583979715766 0.81132896718004 0.38236053610345 69.723 19 Ga 0.71996666762612 0.19161870704435 0.62917554147136 69.723 20 Ga 0.84583979715766 0.68867103281996 0.88236053610345 69.723 21 Ga 0.15416020284234 0.31132896718004 0.11763946389655 69.723 22 Ga 0.28003333237388 0.80838129295565 0.37082445852864 69.723 23 Ga 0.15416020284234 0.18867103281996 0.61763946389655 69.723 24 Ga 0.28003333237388 0.69161870704435 0.87082445852864 69.723 25 O 0.57419612299331 0.23178113052220 0.47606308264669 15.999 26 O 0.57563874138293 0.50217102852759 0.39576605584839 15.999 27 O 0.71493466638260 0.71807221935363 0.25069763926903 15.999 28 O 0.73301622434597 0.21887858508142 0.26757876699226 15.999 29 O 0.57419612299331 0.26821886947780 0.97606308264669 15.999 30 O 0.57563874138293 0.99782897147241 0.89576605584839 15.999 31 O 0.79486664954283 0.96423441056498 0.32018702553112 15.999 32 O 0.72478372027584 0.46447583444320 0.17969582819300 15.999 33 O 0.71493466638260 0.78192778064637 0.75069763926903 15.999 34 O 0.73301622434597 0.28112141491858 0.76757876699226 15.999 35 O 0.86292305583187 0.72749733064299 0.03936446983276 15.999 36 O 0.79486664954283 0.53576558943502 0.82018702553112 15.999 37 O 0.93304757788390 0.24993823407610 0.11517914277290 15.999 38 O 0.07153327672083 0.49026556674674 0.40026326969581 15.999 39 O 0.72478372027584 0.03552416555680 0.67969582819300 15.999 40 O 0.92846672327917 0.99026556674674 0.09973673030419 15.999 41 O 0.06695242211610 0.74993823407611 0.38482085722710 15.999 42 O 0.13707694416814 0.22749733064299 0.46063553016725 15.999 43 O 0.86292305583187 0.77250266935701 0.53936446983275 15.999 44 O 0.93304757788390 0.25006176592390 0.61517914277290 15.999 45 O 0.07153327672083 0.00973443325326 0.90026326969580 15.999 46 O 0.27521627972416 0.96447583444320 0.32030417180700 15.999 47 O 0.92846672327917 0.50973443325326 0.59973673030420 15.999 48 O 0.06695242211610 0.75006176592389 0.88482085722710 15.999 49 O 0.20513335045717 0.46423441056498 0.17981297446888 15.999 50 O 0.13707694416814 0.27250266935701 0.96063553016725 15.999 51 O 0.26698377565403 0.71887858508142 0.23242123300774 15.999 52 O 0.28506533361740 0.21807221935363 0.24930236073097 15.999 53 O 0.27521627972416 0.53552416555680 0.82030417180700 15.999 54 O 0.20513335045717 0.03576558943502 0.67981297446888 15.999 55 O 0.42436125861707 0.00217102852759 0.10423394415161 15.999 56 O 0.42580387700669 0.73178113052220 0.02393691735331 15.999 57 O 0.26698377565403 0.78112141491858 0.73242123300774 15.999 58 O 0.28506533361740 0.28192778064637 0.74930236073097 15.999 59 O 0.42436125861707 0.49782897147241 0.60423394415161 15.999 60 O 0.42580387700669 0.76821886947780 0.52393691735331 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.848944980638105 0.000000000000000 0.000000000000000 b 0.000000000000000 11.137036500000001 0.000000000000000 c -3.840440026846661 0.000000000000000 10.895084538373114 Atomic positions (fractional): 1 La 0.26241419456283 0.08501185945854 0.30719943308994 138.905 > 1 2 La 0.76241419456283 0.08501185945854 0.30719943308994 138.905 > 1 3 La 0.26241419456283 0.41498814054146 0.80719943308993 138.905 > 3 4 La 0.76241419456283 0.41498814054146 0.80719943308993 138.905 > 3 5 La 0.33217256339568 0.87610903930322 0.08567911504944 138.905 > 5 6 La 0.83217256339568 0.87610903930322 0.08567911504944 138.905 > 5 7 La 0.41659530034494 0.37740444075027 0.42582779961480 138.905 > 7 8 La 0.91659530034494 0.37740444075027 0.42582779961480 138.905 > 7 9 La 0.33217256339568 0.62389096069678 0.58567911504944 138.905 > 9 10 La 0.83217256339568 0.62389096069678 0.58567911504944 138.905 > 9 11 La 0.41659530034494 0.12259555924973 0.92582779961480 138.905 > 11 12 La 0.91659530034494 0.12259555924973 0.92582779961480 138.905 > 11 13 La 0.48943578955600 0.59911665042392 0.21519446097955 138.905 > 13 14 La 0.98943578955600 0.59911665042392 0.21519446097955 138.905 > 13 15 La 0.01056421044400 0.09911665042392 0.28480553902045 138.905 > 15 16 La 0.51056421044400 0.09911665042392 0.28480553902045 138.905 > 15 17 La 0.48943578955600 0.90088334957608 0.71519446097955 138.905 > 17 18 La 0.98943578955600 0.90088334957608 0.71519446097955 138.905 > 17 19 La 0.01056421044400 0.40088334957608 0.78480553902045 138.905 > 19 20 La 0.51056421044400 0.40088334957608 0.78480553902045 138.905 > 19 21 La 0.08340469965506 0.87740444075027 0.07417220038520 138.905 > 21 22 La 0.58340469965506 0.87740444075027 0.07417220038520 138.905 > 21 23 La 0.16782743660432 0.37610903930321 0.41432088495056 138.905 > 23 24 La 0.66782743660432 0.37610903930321 0.41432088495056 138.905 > 23 25 La 0.08340469965506 0.62259555924973 0.57417220038520 138.905 > 25 26 La 0.58340469965506 0.62259555924973 0.57417220038520 138.905 > 25 27 La 0.16782743660432 0.12389096069678 0.91432088495056 138.905 > 27 28 La 0.66782743660432 0.12389096069678 0.91432088495056 138.905 > 27 29 La 0.23758580543717 0.58501185945854 0.19280056691007 138.905 > 29 30 La 0.73758580543717 0.58501185945854 0.19280056691007 138.905 > 29 31 La 0.23758580543717 0.91498814054146 0.69280056691007 138.905 > 31 32 La 0.73758580543717 0.91498814054146 0.69280056691007 138.905 > 31 33 Ga 0.35998333381306 0.30838129295565 0.12917554147136 69.723 > 33 34 Ga 0.85998333381306 0.30838129295565 0.12917554147136 69.723 > 33 35 Ga 0.42291989857883 0.81132896718004 0.38236053610345 69.723 > 35 36 Ga 0.92291989857883 0.81132896718004 0.38236053610345 69.723 > 35 37 Ga 0.35998333381306 0.19161870704435 0.62917554147136 69.723 > 37 38 Ga 0.85998333381306 0.19161870704435 0.62917554147136 69.723 > 37 39 Ga 0.42291989857883 0.68867103281996 0.88236053610345 69.723 > 39 40 Ga 0.92291989857883 0.68867103281996 0.88236053610345 69.723 > 39 41 Ga 0.07708010142117 0.31132896718004 0.11763946389655 69.723 > 41 42 Ga 0.57708010142117 0.31132896718004 0.11763946389655 69.723 > 41 43 Ga 0.14001666618694 0.80838129295565 0.37082445852864 69.723 > 43 44 Ga 0.64001666618694 0.80838129295565 0.37082445852864 69.723 > 43 45 Ga 0.07708010142117 0.18867103281996 0.61763946389655 69.723 > 45 46 Ga 0.57708010142117 0.18867103281996 0.61763946389655 69.723 > 45 47 Ga 0.14001666618694 0.69161870704435 0.87082445852864 69.723 > 47 48 Ga 0.64001666618694 0.69161870704435 0.87082445852864 69.723 > 47 49 O 0.28709806149666 0.23178113052220 0.47606308264669 15.999 > 49 50 O 0.78709806149666 0.23178113052220 0.47606308264669 15.999 > 49 51 O 0.28781937069147 0.50217102852759 0.39576605584839 15.999 > 51 52 O 0.78781937069147 0.50217102852759 0.39576605584839 15.999 > 51 53 O 0.35746733319130 0.71807221935363 0.25069763926903 15.999 > 53 54 O 0.85746733319130 0.71807221935363 0.25069763926903 15.999 > 53 55 O 0.36650811217299 0.21887858508142 0.26757876699226 15.999 > 55 56 O 0.86650811217299 0.21887858508142 0.26757876699226 15.999 > 55 57 O 0.28709806149666 0.26821886947780 0.97606308264669 15.999 > 57 58 O 0.78709806149666 0.26821886947780 0.97606308264669 15.999 > 57 59 O 0.28781937069147 0.99782897147241 0.89576605584839 15.999 > 59 60 O 0.78781937069147 0.99782897147241 0.89576605584839 15.999 > 59 61 O 0.39743332477141 0.96423441056498 0.32018702553112 15.999 > 61 62 O 0.89743332477141 0.96423441056498 0.32018702553112 15.999 > 61 63 O 0.36239186013792 0.46447583444320 0.17969582819300 15.999 > 63 64 O 0.86239186013792 0.46447583444320 0.17969582819300 15.999 > 63 65 O 0.35746733319130 0.78192778064637 0.75069763926903 15.999 > 65 66 O 0.85746733319130 0.78192778064637 0.75069763926903 15.999 > 65 67 O 0.36650811217299 0.28112141491858 0.76757876699226 15.999 > 67 68 O 0.86650811217299 0.28112141491858 0.76757876699226 15.999 > 67 69 O 0.43146152791593 0.72749733064299 0.03936446983276 15.999 > 69 70 O 0.93146152791593 0.72749733064299 0.03936446983276 15.999 > 69 71 O 0.39743332477141 0.53576558943502 0.82018702553112 15.999 > 71 72 O 0.89743332477141 0.53576558943502 0.82018702553112 15.999 > 71 73 O 0.46652378894195 0.24993823407610 0.11517914277290 15.999 > 73 74 O 0.96652378894195 0.24993823407610 0.11517914277290 15.999 > 73 75 O 0.03576663836042 0.49026556674674 0.40026326969581 15.999 > 75 76 O 0.53576663836042 0.49026556674674 0.40026326969581 15.999 > 75 77 O 0.36239186013792 0.03552416555680 0.67969582819300 15.999 > 77 78 O 0.86239186013792 0.03552416555680 0.67969582819300 15.999 > 77 79 O 0.46423336163958 0.99026556674674 0.09973673030419 15.999 > 79 80 O 0.96423336163958 0.99026556674674 0.09973673030419 15.999 > 79 81 O 0.03347621105805 0.74993823407611 0.38482085722710 15.999 > 81 82 O 0.53347621105805 0.74993823407611 0.38482085722710 15.999 > 81 83 O 0.06853847208407 0.22749733064299 0.46063553016725 15.999 > 83 84 O 0.56853847208407 0.22749733064299 0.46063553016725 15.999 > 83 85 O 0.43146152791593 0.77250266935701 0.53936446983275 15.999 > 85 86 O 0.93146152791593 0.77250266935701 0.53936446983275 15.999 > 85 87 O 0.46652378894195 0.25006176592390 0.61517914277290 15.999 > 87 88 O 0.96652378894195 0.25006176592390 0.61517914277290 15.999 > 87 89 O 0.03576663836042 0.00973443325326 0.90026326969580 15.999 > 89 90 O 0.53576663836042 0.00973443325326 0.90026326969580 15.999 > 89 91 O 0.13760813986208 0.96447583444320 0.32030417180700 15.999 > 91 92 O 0.63760813986208 0.96447583444320 0.32030417180700 15.999 > 91 93 O 0.46423336163958 0.50973443325326 0.59973673030420 15.999 > 93 94 O 0.96423336163958 0.50973443325326 0.59973673030420 15.999 > 93 95 O 0.03347621105805 0.75006176592389 0.88482085722710 15.999 > 95 96 O 0.53347621105805 0.75006176592389 0.88482085722710 15.999 > 95 97 O 0.10256667522859 0.46423441056498 0.17981297446888 15.999 > 97 98 O 0.60256667522859 0.46423441056498 0.17981297446888 15.999 > 97 99 O 0.06853847208407 0.27250266935701 0.96063553016725 15.999 > 99 100 O 0.56853847208407 0.27250266935701 0.96063553016725 15.999 > 99 101 O 0.13349188782701 0.71887858508142 0.23242123300774 15.999 > 101 102 O 0.63349188782701 0.71887858508142 0.23242123300774 15.999 > 101 103 O 0.14253266680870 0.21807221935363 0.24930236073097 15.999 > 103 104 O 0.64253266680870 0.21807221935363 0.24930236073097 15.999 > 103 105 O 0.13760813986208 0.53552416555680 0.82030417180700 15.999 > 105 106 O 0.63760813986208 0.53552416555680 0.82030417180700 15.999 > 105 107 O 0.10256667522859 0.03576558943502 0.67981297446888 15.999 > 107 108 O 0.60256667522859 0.03576558943502 0.67981297446888 15.999 > 107 109 O 0.21218062930853 0.00217102852759 0.10423394415161 15.999 > 109 110 O 0.71218062930853 0.00217102852759 0.10423394415161 15.999 > 109 111 O 0.21290193850334 0.73178113052220 0.02393691735331 15.999 > 111 112 O 0.71290193850334 0.73178113052220 0.02393691735331 15.999 > 111 113 O 0.13349188782701 0.78112141491858 0.73242123300774 15.999 > 113 114 O 0.63349188782701 0.78112141491858 0.73242123300774 15.999 > 113 115 O 0.14253266680870 0.28192778064637 0.74930236073097 15.999 > 115 116 O 0.64253266680870 0.28192778064637 0.74930236073097 15.999 > 115 117 O 0.21218062930853 0.49782897147241 0.60423394415161 15.999 > 117 118 O 0.71218062930853 0.49782897147241 0.60423394415161 15.999 > 117 119 O 0.21290193850334 0.76821886947780 0.52393691735331 15.999 > 119 120 O 0.71290193850334 0.76821886947780 0.52393691735331 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9623199 0.0000000 0.0249028 0.0000000 4.0006651 0.0000000 0.0248019 0.0000000 3.9273793 -------------------------- Born effective charges -------------------------- 1 La 4.8708975 -0.0173735 0.0595258 -0.0448097 4.2659419 0.7951020 -0.0111185 0.8570902 3.6327662 2 La 4.8708975 0.0173735 0.0595258 0.0448097 4.2659419 -0.7951020 -0.0111185 -0.8570902 3.6327662 3 La 4.6904942 0.1011321 0.0156862 0.0852175 4.2703150 -0.4271634 0.0344233 -0.3735810 3.5502897 4 La 4.1904922 0.0708753 0.0721394 0.0741899 4.0967581 0.3000045 0.0681435 0.3265999 4.0683828 5 La 4.6904942 -0.1011321 0.0156862 -0.0852175 4.2703150 0.4271634 0.0344233 0.3735810 3.5502897 6 La 4.1904922 -0.0708753 0.0721394 -0.0741899 4.0967581 -0.3000045 0.0681435 -0.3265999 4.0683828 7 La 4.0951681 0.0240690 0.0397052 0.0136489 4.3047079 -0.6325214 0.1113193 -0.7462583 4.0397012 8 La 4.0951681 -0.0240690 0.0397052 -0.0136489 4.3047079 0.6325214 0.1113193 0.7462583 4.0397012 9 La 4.0951681 -0.0240690 0.0397052 -0.0136489 4.3047079 0.6325214 0.1113193 0.7462583 4.0397012 10 La 4.0951681 0.0240690 0.0397052 0.0136489 4.3047079 -0.6325214 0.1113193 -0.7462583 4.0397012 11 La 4.1904922 -0.0708753 0.0721394 -0.0741899 4.0967581 -0.3000045 0.0681435 -0.3265999 4.0683828 12 La 4.6904942 -0.1011321 0.0156862 -0.0852175 4.2703150 0.4271634 0.0344233 0.3735810 3.5502897 13 La 4.1904922 0.0708753 0.0721394 0.0741899 4.0967581 0.3000045 0.0681435 0.3265999 4.0683828 14 La 4.6904942 0.1011321 0.0156862 0.0852175 4.2703150 -0.4271634 0.0344233 -0.3735810 3.5502897 15 La 4.8708975 0.0173735 0.0595258 0.0448097 4.2659419 -0.7951020 -0.0111185 -0.8570902 3.6327662 16 La 4.8708975 -0.0173735 0.0595258 -0.0448097 4.2659419 0.7951020 -0.0111185 0.8570902 3.6327662 17 Ga 2.1471488 -0.2333667 -0.0090303 -0.2871418 2.6505036 0.3216865 0.0532711 0.3576175 2.9276430 18 Ga 2.1340055 -0.2342453 0.0349184 -0.2828766 2.6412936 -0.2417262 -0.0341582 -0.3765212 3.0080028 19 Ga 2.1471488 0.2333667 -0.0090303 0.2871418 2.6505036 -0.3216865 0.0532711 -0.3576175 2.9276430 20 Ga 2.1340055 0.2342453 0.0349184 0.2828766 2.6412936 0.2417262 -0.0341582 0.3765212 3.0080028 21 Ga 2.1340055 0.2342453 0.0349184 0.2828766 2.6412936 0.2417262 -0.0341582 0.3765212 3.0080028 22 Ga 2.1471488 0.2333667 -0.0090303 0.2871418 2.6505036 -0.3216865 0.0532711 -0.3576175 2.9276430 23 Ga 2.1340055 -0.2342453 0.0349184 -0.2828766 2.6412936 -0.2417262 -0.0341582 -0.3765212 3.0080028 24 Ga 2.1471488 -0.2333667 -0.0090303 -0.2871418 2.6505036 0.3216865 0.0532711 0.3576175 2.9276430 25 O -2.1596213 0.3496940 -0.4405768 0.2908331 -2.2766787 0.0455531 -0.3046784 -0.0576940 -2.6301415 26 O -2.7512177 0.0634620 -0.0388725 0.0038820 -2.3756955 0.1855919 -0.0616465 0.1198442 -2.7339535 27 O -2.4616988 -0.4901610 -0.3896838 -0.3748148 -2.6020764 -0.1129756 -0.2354373 0.0465573 -2.1850792 28 O -2.4594319 -0.4202605 0.3179784 -0.2822348 -2.6346362 -0.0881514 0.1764813 -0.2018062 -2.2488330 29 O -2.1596213 -0.3496940 -0.4405768 -0.2908331 -2.2766787 -0.0455531 -0.3046784 0.0576940 -2.6301415 30 O -2.7512177 -0.0634620 -0.0388725 -0.0038820 -2.3756955 -0.1855919 -0.0616465 -0.1198442 -2.7339535 31 O -2.3470227 0.0320080 0.0021277 0.1091816 -2.7824674 0.2956618 -0.0021443 0.2639565 -1.8730360 32 O -2.3748663 0.0411047 -0.0527620 0.1237972 -2.8743772 -0.3144706 -0.0287121 -0.3123428 -1.8244826 33 O -2.4616988 0.4901610 -0.3896838 0.3748148 -2.6020764 0.1129756 -0.2354373 -0.0465573 -2.1850792 34 O -2.4594319 0.4202605 0.3179784 0.2822348 -2.6346362 0.0881514 0.1764813 0.2018062 -2.2488330 35 O -2.0711934 0.3096581 0.3425385 0.2560401 -2.2175833 0.2001220 0.2051734 0.2050974 -2.8794975 36 O -2.3470227 -0.0320080 0.0021277 -0.1091816 -2.7824674 -0.2956618 -0.0021443 -0.2639565 -1.8730360 37 O -2.6725714 -0.0097082 0.0208080 -0.0022111 -1.9809537 -0.1055905 -0.0035880 -0.1653399 -2.1958774 38 O -2.8305827 -0.0741293 0.0254977 -0.0175376 -2.4850518 0.1420258 0.0326714 0.1394463 -2.6558848 39 O -2.3748663 -0.0411047 -0.0527620 -0.1237972 -2.8743772 0.3144706 -0.0287121 0.3123428 -1.8244826 40 O -2.8305827 0.0741293 0.0254977 0.0175376 -2.4850518 -0.1420258 0.0326714 -0.1394463 -2.6558848 41 O -2.6725714 0.0097082 0.0208080 0.0022111 -1.9809537 0.1055905 -0.0035880 0.1653399 -2.1958774 42 O -2.0711934 -0.3096581 0.3425385 -0.2560401 -2.2175833 -0.2001220 0.2051734 -0.2050974 -2.8794975 43 O -2.0711934 -0.3096581 0.3425385 -0.2560401 -2.2175833 -0.2001220 0.2051734 -0.2050974 -2.8794975 44 O -2.6725714 0.0097082 0.0208080 0.0022111 -1.9809537 0.1055905 -0.0035880 0.1653399 -2.1958774 45 O -2.8305827 0.0741293 0.0254977 0.0175376 -2.4850518 -0.1420258 0.0326714 -0.1394463 -2.6558848 46 O -2.3748663 -0.0411047 -0.0527620 -0.1237972 -2.8743772 0.3144706 -0.0287121 0.3123428 -1.8244826 47 O -2.8305827 -0.0741293 0.0254977 -0.0175376 -2.4850518 0.1420258 0.0326714 0.1394463 -2.6558848 48 O -2.6725714 -0.0097082 0.0208080 -0.0022111 -1.9809537 -0.1055905 -0.0035880 -0.1653399 -2.1958774 49 O -2.3470227 -0.0320080 0.0021277 -0.1091816 -2.7824674 -0.2956618 -0.0021443 -0.2639565 -1.8730360 50 O -2.0711934 0.3096581 0.3425385 0.2560401 -2.2175833 0.2001220 0.2051734 0.2050974 -2.8794975 51 O -2.4594319 0.4202605 0.3179784 0.2822348 -2.6346362 0.0881514 0.1764813 0.2018062 -2.2488330 52 O -2.4616988 0.4901610 -0.3896838 0.3748148 -2.6020764 0.1129756 -0.2354373 -0.0465573 -2.1850792 53 O -2.3748663 0.0411047 -0.0527620 0.1237972 -2.8743772 -0.3144706 -0.0287121 -0.3123428 -1.8244826 54 O -2.3470227 0.0320080 0.0021277 0.1091816 -2.7824674 0.2956618 -0.0021443 0.2639565 -1.8730360 55 O -2.7512177 -0.0634620 -0.0388725 -0.0038820 -2.3756955 -0.1855919 -0.0616465 -0.1198442 -2.7339535 56 O -2.1596213 -0.3496940 -0.4405768 -0.2908331 -2.2766787 -0.0455531 -0.3046784 0.0576940 -2.6301415 57 O -2.4594319 -0.4202605 0.3179784 -0.2822348 -2.6346362 -0.0881514 0.1764813 -0.2018062 -2.2488330 58 O -2.4616988 -0.4901610 -0.3896838 -0.3748148 -2.6020764 -0.1129756 -0.2354373 0.0465573 -2.1850792 59 O -2.7512177 0.0634620 -0.0388725 0.0038820 -2.3756955 0.1855919 -0.0616465 0.1198442 -2.7339535 60 O -2.1596213 0.3496940 -0.4405768 0.2908331 -2.2766787 0.0455531 -0.3046784 -0.0576940 -2.6301415 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.096 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 2.960 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.341 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.837 ( 0.000 0.000 0.000) 0.000 5.900 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.170 ( 0.000 0.000 0.000) 0.000 6.198 ( 0.000 0.000 0.000) 0.000 6.339 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 6.542 ( 0.000 0.000 0.000) 0.000 6.572 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.113 ( 0.000 0.000 0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.316 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.448 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.582 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 0.000) 0.000 7.926 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.200 ( 0.000 0.000 0.000) 0.000 8.272 ( 0.000 0.000 0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 8.521 ( 0.000 0.000 0.000) 0.000 8.550 ( 0.000 0.000 0.000) 0.000 8.654 ( 0.000 0.000 0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 8.780 ( 0.000 0.000 0.000) 0.000 8.874 ( 0.000 0.000 0.000) 0.000 8.920 ( 0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 9.062 ( 0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 0.000) 0.000 9.199 ( 0.000 0.000 0.000) 0.000 9.213 ( 0.000 0.000 0.000) 0.000 9.264 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 9.444 ( 0.000 0.000 0.000) 0.000 9.482 ( 0.000 0.000 0.000) 0.000 9.569 ( 0.000 0.000 0.000) 0.000 9.748 ( 0.000 0.000 0.000) 0.000 9.748 ( 0.000 0.000 0.000) 0.000 9.868 ( 0.000 0.000 0.000) 0.000 9.913 ( 0.000 0.000 0.000) 0.000 10.105 ( 0.000 0.000 0.000) 0.000 10.143 ( 0.000 0.000 0.000) 0.000 10.259 ( 0.000 0.000 0.000) 0.000 10.350 ( 0.000 0.000 0.000) 0.000 10.415 ( 0.000 0.000 0.000) 0.000 10.476 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 10.589 ( 0.000 0.000 0.000) 0.000 10.631 ( 0.000 0.000 0.000) 0.000 10.728 ( 0.000 0.000 0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 11.270 ( 0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.905 ( 0.000 0.000 0.000) 0.000 12.072 ( 0.000 0.000 0.000) 0.000 12.142 ( 0.000 0.000 0.000) 0.000 12.192 ( 0.000 0.000 0.000) 0.000 13.372 ( 0.000 0.000 0.000) 0.000 13.423 ( 0.000 0.000 0.000) 0.000 13.428 ( 0.000 0.000 0.000) 0.000 13.618 ( 0.000 0.000 0.000) 0.000 13.697 ( 0.000 0.000 0.000) 0.000 13.782 ( 0.000 0.000 0.000) 0.000 14.081 ( 0.000 0.000 0.000) 0.000 14.136 ( 0.000 0.000 0.000) 0.000 14.181 ( 0.000 0.000 0.000) 0.000 14.286 ( 0.000 0.000 0.000) 0.000 14.499 ( 0.000 0.000 0.000) 0.000 14.716 ( 0.000 0.000 0.000) 0.000 16.676 ( 0.000 0.000 0.000) 0.000 16.727 ( 0.000 0.000 0.000) 0.000 16.802 ( 0.000 0.000 0.000) 0.000 16.990 ( 0.000 0.000 0.000) 0.000 17.150 ( 0.000 0.000 0.000) 0.000 17.412 ( 0.000 0.000 0.000) 0.000 18.171 ( 0.000 0.000 0.000) 0.000 18.171 ( 0.000 0.000 0.000) 0.000 18.192 ( 0.000 0.000 0.000) 0.000 18.377 ( 0.000 0.000 0.000) 0.000 18.566 ( 0.000 0.000 0.000) 0.000 18.638 ( 0.000 0.000 0.000) 0.000 18.706 ( 0.000 0.000 0.000) 0.000 18.771 ( 0.000 0.000 0.000) 0.000 18.862 ( 0.000 0.000 0.000) 0.000 19.176 ( 0.000 0.000 0.000) 0.000 19.215 ( 0.000 0.000 0.000) 0.000 20.077 ( 0.000 0.000 0.000) 0.000 20.197 ( 0.000 0.000 0.000) 0.000 20.269 ( 0.000 0.000 0.000) 0.000 20.347 ( 0.000 0.000 0.000) 0.000 20.386 ( 0.000 0.000 0.000) 0.000 20.584 ( 0.000 0.000 0.000) 0.000 20.995 ( 0.000 0.000 0.000) 0.000 22.180 ( 0.000 0.000 0.000) 0.000 22.219 ( 0.000 0.000 0.000) 0.000 22.237 ( 0.000 0.000 0.000) 0.000 22.256 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 28.533 0.000 0.690) 28.542 0.558 ( 27.247 0.000 10.531) 29.211 1.071 ( 53.063 0.000 11.888) 54.378 1.865 ( -2.839 0.000 -13.616) 13.909 1.970 ( 5.479 0.000 0.694) 5.523 2.080 ( 2.200 0.000 8.820) 9.090 2.119 ( 2.674 0.000 2.331) 3.547 2.186 ( 5.952 0.000 -3.398) 6.854 2.232 ( 3.698 0.000 -11.105) 11.705 2.320 ( 1.718 0.000 2.043) 2.670 2.400 ( 6.371 0.000 5.460) 8.390 2.529 ( -0.567 0.000 -1.760) 1.849 2.581 ( 3.002 0.000 -0.621) 3.066 2.594 ( 2.932 0.000 -3.822) 4.817 2.630 ( -2.478 0.000 -1.337) 2.816 2.659 ( -4.480 0.000 -3.708) 5.816 2.695 ( -3.347 0.000 -0.147) 3.350 2.718 ( -4.489 0.000 -0.413) 4.508 2.848 ( 0.817 0.000 -4.972) 5.038 2.884 ( -1.604 0.000 -2.951) 3.358 2.891 ( -1.672 0.000 0.421) 1.724 2.988 ( 2.104 0.000 -0.402) 2.142 3.019 ( 2.558 0.000 0.757) 2.667 3.126 ( -4.170 0.000 4.557) 6.176 3.134 ( -2.136 0.000 3.105) 3.769 3.189 ( 5.827 0.000 -4.299) 7.241 3.240 ( 3.892 0.000 0.154) 3.895 3.257 ( -3.477 0.000 2.694) 4.399 3.295 ( -4.296 0.000 -2.170) 4.812 3.331 ( 3.525 0.000 1.258) 3.742 3.368 ( 4.185 0.000 -5.951) 7.276 3.451 ( 7.911 0.000 2.743) 8.373 3.455 ( -0.827 0.000 -1.745) 1.931 3.556 ( 0.445 0.000 5.012) 5.032 3.637 ( -6.365 0.000 4.957) 8.067 3.720 ( 5.149 0.000 -5.324) 7.406 3.767 ( -2.079 0.000 -2.899) 3.568 3.827 ( -3.499 0.000 -4.537) 5.730 3.915 ( -0.557 0.000 4.275) 4.311 3.940 ( -3.811 0.000 -2.011) 4.309 3.989 ( 4.465 0.000 1.694) 4.775 4.007 ( 6.301 0.000 -5.528) 8.382 4.120 ( -1.861 0.000 3.674) 4.119 4.122 ( -1.417 0.000 -2.467) 2.845 4.231 ( -2.831 0.000 1.471) 3.190 4.300 ( -1.953 0.000 0.398) 1.993 4.401 ( 3.736 0.000 3.771) 5.309 4.502 ( 5.570 0.000 -3.528) 6.594 4.502 ( 2.994 0.000 -7.816) 8.370 4.644 ( 1.359 0.000 0.172) 1.369 4.708 ( 2.124 0.000 0.387) 2.159 4.770 ( -9.116 0.000 0.337) 9.122 4.790 ( -1.636 0.000 6.423) 6.629 4.827 ( -7.922 0.000 5.449) 9.616 5.058 ( -1.134 0.000 -5.515) 5.630 5.093 ( 1.882 0.000 1.447) 2.374 5.229 ( -2.186 0.000 6.773) 7.117 5.232 ( 2.595 0.000 2.718) 3.758 5.285 ( 6.788 0.000 -0.609) 6.816 5.344 ( 5.386 0.000 7.050) 8.872 5.458 ( -4.211 0.000 -3.731) 5.626 5.492 ( -2.971 0.000 -6.448) 7.100 5.593 ( -5.891 0.000 3.170) 6.689 5.696 ( -5.765 0.000 1.796) 6.038 5.730 ( -1.713 0.000 3.951) 4.306 5.740 ( -6.834 0.000 4.160) 8.001 5.741 ( -5.325 0.000 2.724) 5.981 5.799 ( 0.694 0.000 -2.912) 2.994 5.863 ( -2.409 0.000 -4.297) 4.926 5.977 ( -5.241 0.000 -9.833) 11.143 6.166 ( 0.266 0.000 -2.597) 2.611 6.196 ( 0.738 0.000 -3.032) 3.121 6.258 ( -1.373 0.000 12.727) 12.800 6.339 ( 1.822 0.000 -0.315) 1.849 6.372 ( -5.038 0.000 7.831) 9.312 6.413 ( -2.015 0.000 2.537) 3.240 6.523 ( 0.779 0.000 -4.184) 4.256 6.543 ( -2.489 0.000 -2.310) 3.396 6.609 ( 6.244 0.000 -4.334) 7.600 6.634 ( -2.865 0.000 0.349) 2.886 6.743 ( -2.996 0.000 -6.935) 7.554 6.930 ( 3.380 0.000 3.030) 4.540 6.972 ( -5.098 0.000 5.593) 7.568 7.146 ( -1.944 0.000 7.921) 8.156 7.259 ( 7.351 0.000 3.326) 8.068 7.415 ( -1.197 0.000 -2.013) 2.342 7.425 ( 0.262 0.000 -2.058) 2.074 7.541 ( -3.205 0.000 -2.351) 3.975 7.545 ( 1.766 0.000 -0.009) 1.766 7.651 ( 5.850 0.000 -3.626) 6.883 7.786 ( -2.898 0.000 2.287) 3.692 7.874 ( 2.163 0.000 -7.150) 7.471 7.926 ( -0.204 0.000 -2.881) 2.888 8.059 ( 4.927 0.000 -5.514) 7.394 8.062 ( 0.198 0.000 3.927) 3.932 8.140 ( 4.066 0.000 -5.093) 6.517 8.272 ( 3.919 0.000 1.944) 4.374 8.276 ( -0.078 0.000 2.452) 2.453 8.364 ( 4.429 0.000 0.213) 4.434 8.498 ( -3.930 0.000 1.642) 4.259 8.525 ( -0.943 0.000 -2.671) 2.832 8.528 ( -7.726 0.000 -3.016) 8.294 8.647 ( -4.597 0.000 9.552) 10.601 8.707 ( 1.825 0.000 -0.103) 1.828 8.824 ( 2.461 0.000 -2.491) 3.502 8.919 ( 5.243 0.000 -1.703) 5.513 8.937 ( 2.652 0.000 0.778) 2.763 9.000 ( 2.268 0.000 2.833) 3.629 9.069 ( -1.597 0.000 6.312) 6.511 9.165 ( 0.466 0.000 -4.614) 4.637 9.220 ( 3.355 0.000 1.198) 3.563 9.224 ( 2.826 0.000 -4.859) 5.621 9.275 ( 1.356 0.000 0.651) 1.505 9.346 ( 0.247 0.000 0.138) 0.283 9.416 ( 1.173 0.000 0.425) 1.248 9.417 ( -0.383 0.000 -0.096) 0.395 9.508 ( 1.421 0.000 1.416) 2.006 9.522 ( -3.041 0.000 -2.443) 3.901 9.742 ( 0.545 0.000 -1.142) 1.265 9.745 ( -0.329 0.000 -0.369) 0.495 9.822 ( -0.916 0.000 -1.902) 2.111 9.974 ( -0.028 0.000 4.315) 4.315 10.084 ( -1.044 0.000 -0.482) 1.150 10.093 ( -3.723 0.000 -4.771) 6.052 10.243 ( -1.229 0.000 -1.210) 1.725 10.257 ( -5.766 0.000 -0.522) 5.790 10.372 ( -4.350 0.000 1.053) 4.476 10.461 ( -3.434 0.000 -0.445) 3.463 10.553 ( 5.037 0.000 -2.677) 5.705 10.580 ( 6.875 0.000 -8.749) 11.127 10.634 ( 0.846 0.000 -1.548) 1.764 10.729 ( -0.540 0.000 2.071) 2.140 10.954 ( 2.066 0.000 -3.444) 4.016 11.259 ( 0.382 0.000 -3.765) 3.784 11.306 ( 0.427 0.000 3.552) 3.578 11.822 ( -2.547 0.000 -4.946) 5.564 12.068 ( -0.112 0.000 -1.095) 1.101 12.187 ( -1.858 0.000 6.217) 6.489 12.223 ( 8.994 0.000 -3.771) 9.752 13.255 ( 6.085 0.000 -12.579) 13.973 13.346 ( -3.413 0.000 -11.165) 11.675 13.348 ( -2.937 0.000 1.936) 3.518 13.609 ( -1.850 0.000 1.786) 2.571 13.640 ( 8.690 0.000 -19.508) 21.355 13.756 ( -2.335 0.000 -0.838) 2.481 13.976 ( -10.033 0.000 29.415) 31.079 14.061 ( -1.833 0.000 -0.875) 2.031 14.175 ( 1.421 0.000 1.168) 1.839 14.182 ( 0.279 0.000 -0.465) 0.543 14.311 ( 2.066 0.000 1.112) 2.347 14.504 ( 0.295 0.000 0.511) 0.590 14.720 ( -0.007 0.000 1.216) 1.216 16.687 ( -1.901 0.000 -2.837) 3.415 16.878 ( 6.324 0.000 0.837) 6.380 16.979 ( -0.487 0.000 -4.673) 4.698 17.116 ( 5.395 0.000 -9.944) 11.313 17.250 ( 10.098 0.000 -3.069) 10.554 17.439 ( 4.256 0.000 -2.612) 4.993 18.167 ( -1.814 0.000 -1.450) 2.323 18.212 ( 3.887 0.000 0.219) 3.893 18.364 ( -1.376 0.000 0.452) 1.448 18.446 ( 13.508 0.000 -22.508) 26.251 18.601 ( -1.185 0.000 -2.133) 2.440 18.692 ( -0.498 0.000 -0.441) 0.665 18.794 ( 2.865 0.000 -1.678) 3.321 18.807 ( 5.975 0.000 5.615) 8.199 19.141 ( -3.325 0.000 -0.998) 3.472 19.203 ( -1.432 0.000 0.582) 1.546 19.886 ( -16.716 0.000 46.068) 49.007 19.972 ( -9.556 0.000 0.772) 9.587 20.136 ( -11.329 0.000 12.723) 17.036 20.245 ( -1.397 0.000 -2.475) 2.842 20.306 ( -4.650 0.000 -0.866) 4.730 20.411 ( 0.602 0.000 2.261) 2.340 20.546 ( -3.490 0.000 -1.531) 3.811 20.946 ( -5.473 0.000 0.330) 5.483 22.207 ( 2.557 0.000 0.551) 2.615 22.228 ( 1.269 0.000 -0.913) 1.564 22.272 ( 1.346 0.000 0.387) 1.401 22.349 ( 2.259 0.000 -4.034) 4.624 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 27.871 0.000 2.005) 27.943 1.113 ( 26.912 0.000 10.225) 28.789 1.754 ( 0.724 0.000 -10.194) 10.220 1.926 ( 24.043 0.000 7.367) 25.146 2.114 ( 12.391 0.000 -4.373) 13.140 2.152 ( -2.803 0.000 4.307) 5.139 2.204 ( 4.709 0.000 -9.642) 10.730 2.275 ( 5.434 0.000 -0.752) 5.486 2.322 ( 18.082 0.000 6.134) 19.094 2.333 ( -11.730 0.000 -2.808) 12.061 2.364 ( 1.504 0.000 -4.477) 4.723 2.455 ( -7.358 0.000 -6.378) 9.737 2.549 ( -0.944 0.000 1.760) 1.997 2.570 ( -4.044 0.000 -1.334) 4.258 2.618 ( -0.113 0.000 -4.445) 4.446 2.642 ( -4.943 0.000 2.395) 5.493 2.643 ( 4.014 0.000 -2.748) 4.865 2.713 ( 3.792 0.000 1.755) 4.178 2.804 ( -5.150 0.000 -0.922) 5.232 2.821 ( -1.409 0.000 0.974) 1.713 2.883 ( 1.037 0.000 0.916) 1.384 2.997 ( 1.742 0.000 -1.399) 2.234 3.055 ( 0.262 0.000 1.995) 2.012 3.111 ( -1.860 0.000 3.940) 4.357 3.137 ( 3.922 0.000 0.654) 3.976 3.180 ( -2.255 0.000 -1.233) 2.570 3.182 ( -3.024 0.000 2.788) 4.113 3.297 ( -1.691 0.000 3.373) 3.773 3.317 ( 5.480 0.000 1.057) 5.581 3.392 ( 0.253 0.000 -1.221) 1.247 3.399 ( 1.774 0.000 -6.019) 6.275 3.485 ( -0.308 0.000 -3.142) 3.157 3.566 ( 2.640 0.000 0.871) 2.780 3.588 ( 1.331 0.000 5.920) 6.068 3.656 ( 5.151 0.000 -1.528) 5.373 3.673 ( -2.887 0.000 0.775) 2.989 3.761 ( 2.919 0.000 -9.089) 9.546 3.780 ( 4.076 0.000 2.381) 4.721 3.906 ( 4.346 0.000 -3.490) 5.574 3.926 ( -0.698 0.000 6.731) 6.767 3.993 ( -1.207 0.000 -5.928) 6.049 4.045 ( -7.041 0.000 4.261) 8.229 4.169 ( 0.270 0.000 2.261) 2.277 4.187 ( 11.422 0.000 -3.863) 12.057 4.231 ( 7.017 0.000 6.086) 9.289 4.298 ( 0.708 0.000 -0.794) 1.064 4.439 ( 2.483 0.000 -0.768) 2.599 4.495 ( 0.781 0.000 -7.824) 7.863 4.575 ( 2.428 0.000 -5.848) 6.332 4.590 ( -8.950 0.000 1.459) 9.068 4.704 ( -3.886 0.000 3.143) 4.998 4.764 ( 4.661 0.000 12.418) 13.264 4.775 ( 2.666 0.000 0.224) 2.675 4.812 ( -2.458 0.000 -0.604) 2.531 4.949 ( -11.575 0.000 -7.940) 14.037 5.118 ( -1.188 0.000 1.420) 1.852 5.136 ( -4.555 0.000 -2.095) 5.014 5.284 ( 0.163 0.000 2.974) 2.978 5.349 ( -3.898 0.000 1.345) 4.124 5.369 ( -5.524 0.000 -4.674) 7.236 5.408 ( 5.731 0.000 2.460) 6.236 5.413 ( -2.865 0.000 3.081) 4.207 5.542 ( 1.856 0.000 -2.813) 3.371 5.580 ( -6.178 0.000 1.113) 6.277 5.637 ( -6.434 0.000 4.542) 7.876 5.648 ( -4.623 0.000 2.522) 5.266 5.712 ( -2.033 0.000 1.594) 2.584 5.774 ( -3.311 0.000 -5.582) 6.490 5.818 ( -3.931 0.000 -4.839) 6.234 5.886 ( 5.211 0.000 -1.602) 5.452 6.129 ( -4.582 0.000 1.380) 4.786 6.149 ( -5.109 0.000 -1.382) 5.293 6.284 ( -0.083 0.000 4.427) 4.428 6.307 ( -4.944 0.000 3.097) 5.834 6.394 ( 2.818 0.000 2.170) 3.557 6.409 ( -0.545 0.000 3.700) 3.740 6.456 ( -4.162 0.000 -2.623) 4.920 6.536 ( 1.556 0.000 0.757) 1.731 6.604 ( -4.384 0.000 -10.670) 11.536 6.616 ( 0.471 0.000 0.550) 0.725 6.747 ( 9.020 0.000 -2.810) 9.448 6.956 ( -2.056 0.000 7.314) 7.597 6.965 ( -1.687 0.000 0.141) 1.693 7.137 ( -3.596 0.000 7.504) 8.322 7.304 ( -1.806 0.000 0.159) 1.813 7.379 ( -2.415 0.000 -2.460) 3.448 7.433 ( -1.873 0.000 -4.169) 4.570 7.479 ( 1.930 0.000 1.891) 2.702 7.635 ( 3.488 0.000 1.889) 3.967 7.682 ( 1.854 0.000 -0.477) 1.914 7.808 ( 4.070 0.000 -1.293) 4.271 7.850 ( 1.370 0.000 -7.335) 7.462 7.961 ( 5.456 0.000 -3.051) 6.251 8.085 ( -1.816 0.000 4.932) 5.256 8.129 ( 3.840 0.000 -2.610) 4.643 8.188 ( 5.041 0.000 -4.250) 6.593 8.265 ( -1.571 0.000 -0.392) 1.619 8.281 ( -3.386 0.000 2.294) 4.090 8.417 ( -1.730 0.000 0.454) 1.788 8.447 ( 3.061 0.000 0.383) 3.085 8.448 ( -1.488 0.000 -3.705) 3.993 8.511 ( 0.247 0.000 -0.812) 0.849 8.638 ( 0.284 0.000 5.433) 5.440 8.742 ( 1.070 0.000 -2.205) 2.451 8.864 ( 1.914 0.000 2.036) 2.794 8.950 ( -0.876 0.000 -2.591) 2.735 8.999 ( 2.130 0.000 3.435) 4.042 9.039 ( 1.024 0.000 1.296) 1.651 9.079 ( -1.310 0.000 4.890) 5.062 9.137 ( 2.725 0.000 -5.356) 6.009 9.204 ( -1.889 0.000 -3.723) 4.175 9.326 ( 2.886 0.000 1.566) 3.283 9.346 ( 6.700 0.000 4.634) 8.146 9.360 ( 1.458 0.000 2.522) 2.914 9.401 ( -3.051 0.000 -0.639) 3.117 9.452 ( 2.610 0.000 0.653) 2.690 9.516 ( 3.312 0.000 -0.807) 3.409 9.555 ( 3.799 0.000 0.360) 3.816 9.715 ( -2.753 0.000 -0.919) 2.903 9.744 ( 0.861 0.000 -2.242) 2.402 9.823 ( 1.020 0.000 0.811) 1.303 9.933 ( -3.299 0.000 -1.211) 3.515 9.962 ( -6.202 0.000 -6.629) 9.077 10.062 ( -2.048 0.000 -2.050) 2.898 10.198 ( -3.197 0.000 -1.252) 3.434 10.198 ( -1.678 0.000 3.790) 4.145 10.289 ( -4.185 0.000 -0.282) 4.194 10.384 ( -4.875 0.000 1.077) 4.992 10.590 ( 2.112 0.000 -3.780) 4.330 10.638 ( 2.280 0.000 -4.193) 4.773 10.679 ( 5.233 0.000 2.929) 5.997 10.731 ( -1.337 0.000 2.710) 3.021 10.961 ( 0.268 0.000 -1.151) 1.182 11.242 ( 0.150 0.000 -2.902) 2.906 11.345 ( 1.395 0.000 2.949) 3.262 11.712 ( -5.654 0.000 -5.379) 7.804 12.057 ( 0.036 0.000 -1.501) 1.502 12.185 ( -1.307 0.000 3.034) 3.303 12.402 ( 10.604 0.000 -0.426) 10.612 13.209 ( -4.620 0.000 -6.502) 7.976 13.300 ( 4.748 0.000 -5.165) 7.016 13.312 ( -2.273 0.000 3.619) 4.273 13.563 ( -4.309 0.000 0.728) 4.370 13.653 ( 0.811 0.000 -3.669) 3.757 13.705 ( -1.747 0.000 -1.784) 2.497 13.983 ( -3.360 0.000 10.542) 11.065 14.013 ( -2.448 0.000 -0.699) 2.546 14.186 ( 0.536 0.000 -0.543) 0.763 14.214 ( 1.945 0.000 0.735) 2.079 14.362 ( 2.409 0.000 1.102) 2.649 14.513 ( 0.320 0.000 0.503) 0.596 14.730 ( 0.193 0.000 1.336) 1.349 16.638 ( -1.524 0.000 -2.557) 2.976 16.929 ( -1.573 0.000 -3.429) 3.772 17.002 ( 6.020 0.000 0.429) 6.035 17.155 ( 2.873 0.000 -3.089) 4.219 17.459 ( 12.454 0.000 1.790) 12.582 17.551 ( 10.734 0.000 -3.197) 11.200 18.118 ( -2.724 0.000 -1.006) 2.904 18.243 ( -3.175 0.000 -1.500) 3.511 18.371 ( 2.674 0.000 2.848) 3.906 18.570 ( 10.501 0.000 -8.278) 13.372 18.578 ( -0.127 0.000 -1.248) 1.254 18.680 ( 0.141 0.000 -1.223) 1.231 18.838 ( 2.638 0.000 -1.721) 3.150 18.883 ( -3.893 0.000 2.165) 4.455 19.118 ( 4.471 0.000 0.886) 4.558 19.178 ( -1.493 0.000 0.599) 1.609 19.819 ( -7.082 0.000 1.495) 7.238 19.861 ( -4.952 0.000 5.990) 7.772 19.986 ( -15.622 0.000 21.102) 26.255 20.201 ( -1.864 0.000 -1.376) 2.317 20.206 ( -3.897 0.000 -3.619) 5.318 20.416 ( -1.232 0.000 1.528) 1.962 20.451 ( -5.064 0.000 -2.550) 5.670 20.814 ( -8.574 0.000 0.049) 8.574 22.252 ( 1.917 0.000 -0.960) 2.144 22.265 ( 2.976 0.000 0.642) 3.045 22.297 ( 0.954 0.000 0.307) 1.003 22.367 ( 1.394 0.000 -0.990) 1.710 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 23.290 0.000 3.329) 23.526 1.640 ( 22.839 0.000 9.401) 24.698 1.790 ( 8.898 0.000 -5.129) 10.271 1.997 ( -16.787 0.000 -5.437) 17.645 2.024 ( -10.359 0.000 -1.313) 10.442 2.089 ( -0.078 0.000 1.587) 1.589 2.140 ( -17.521 0.000 -6.907) 18.834 2.269 ( 5.112 0.000 -3.373) 6.124 2.270 ( -2.497 0.000 1.590) 2.960 2.300 ( 8.347 0.000 -2.928) 8.846 2.475 ( -1.966 0.000 -2.411) 3.111 2.501 ( -3.981 0.000 1.844) 4.388 2.517 ( 5.290 0.000 -2.035) 5.668 2.552 ( -0.321 0.000 0.221) 0.389 2.553 ( -0.844 0.000 0.184) 0.864 2.598 ( -1.067 0.000 -0.501) 1.178 2.642 ( -1.310 0.000 -2.248) 2.601 2.786 ( 0.021 0.000 0.269) 0.270 2.828 ( 2.929 0.000 1.213) 3.170 2.891 ( 0.126 0.000 0.242) 0.272 2.908 ( 1.767 0.000 -1.021) 2.041 3.062 ( -1.626 0.000 0.866) 1.842 3.066 ( 0.785 0.000 2.996) 3.097 3.137 ( -0.790 0.000 0.568) 0.973 3.137 ( 3.316 0.000 3.967) 5.170 3.253 ( 8.946 0.000 1.765) 9.118 3.269 ( -5.054 0.000 -0.856) 5.125 3.290 ( 4.028 0.000 1.466) 4.286 3.332 ( 6.017 0.000 3.368) 6.895 3.377 ( 3.634 0.000 1.282) 3.854 3.413 ( 4.082 0.000 0.348) 4.097 3.440 ( 5.800 0.000 -2.132) 6.180 3.562 ( -7.636 0.000 -2.462) 8.023 3.671 ( 4.043 0.000 3.017) 5.045 3.693 ( 4.720 0.000 2.756) 5.466 3.730 ( 4.874 0.000 0.004) 4.874 3.813 ( 2.414 0.000 2.006) 3.139 3.894 ( 4.649 0.000 -5.587) 7.268 3.906 ( -12.230 0.000 -0.168) 12.231 3.924 ( -2.053 0.000 -2.655) 3.356 3.954 ( -0.595 0.000 4.232) 4.274 4.003 ( 6.890 0.000 -4.556) 8.260 4.171 ( -2.573 0.000 5.447) 6.024 4.221 ( -13.121 0.000 -3.311) 13.532 4.303 ( 0.063 0.000 -0.154) 0.167 4.357 ( -3.733 0.000 -3.910) 5.405 4.454 ( 8.265 0.000 3.454) 8.958 4.495 ( 3.338 0.000 -7.149) 7.889 4.545 ( 6.890 0.000 2.157) 7.220 4.578 ( 4.850 0.000 -4.118) 6.362 4.657 ( -2.435 0.000 0.987) 2.627 4.696 ( -5.024 0.000 0.542) 5.053 4.736 ( -4.311 0.000 -2.267) 4.871 4.793 ( -0.021 0.000 0.503) 0.504 4.859 ( -5.432 0.000 0.218) 5.436 5.096 ( -0.797 0.000 6.661) 6.709 5.139 ( 2.231 0.000 -0.649) 2.324 5.178 ( -8.009 0.000 3.355) 8.683 5.289 ( -0.544 0.000 -1.700) 1.785 5.312 ( -1.176 0.000 0.098) 1.180 5.367 ( -3.221 0.000 -4.256) 5.338 5.498 ( 2.301 0.000 1.960) 3.022 5.548 ( 1.764 0.000 0.301) 1.789 5.565 ( -2.421 0.000 0.705) 2.522 5.608 ( 2.642 0.000 3.316) 4.240 5.634 ( 0.282 0.000 2.927) 2.940 5.688 ( -2.757 0.000 -3.042) 4.105 5.699 ( 1.018 0.000 -1.534) 1.841 5.714 ( -2.593 0.000 -4.690) 5.359 5.979 ( 3.352 0.000 0.257) 3.362 6.015 ( -7.369 0.000 2.450) 7.765 6.040 ( -4.454 0.000 -0.257) 4.461 6.289 ( 1.138 0.000 2.618) 2.855 6.314 ( 1.179 0.000 -0.040) 1.180 6.369 ( -3.155 0.000 -2.453) 3.996 6.434 ( 0.549 0.000 2.423) 2.484 6.452 ( 1.723 0.000 0.004) 1.723 6.474 ( -3.124 0.000 -4.777) 5.708 6.561 ( 0.053 0.000 1.053) 1.054 6.646 ( 1.734 0.000 0.810) 1.914 6.863 ( 4.539 0.000 -2.323) 5.099 6.895 ( -3.702 0.000 -0.666) 3.761 6.969 ( -0.855 0.000 4.304) 4.388 7.122 ( -1.377 0.000 2.082) 2.496 7.268 ( -1.518 0.000 -0.619) 1.639 7.339 ( -0.675 0.000 -0.967) 1.180 7.363 ( -1.646 0.000 -1.546) 2.259 7.523 ( 0.877 0.000 0.433) 0.978 7.652 ( 0.430 0.000 0.587) 0.728 7.754 ( 1.928 0.000 1.816) 2.649 7.842 ( 0.538 0.000 -1.995) 2.066 7.845 ( 1.346 0.000 -2.353) 2.711 8.018 ( 2.179 0.000 -2.644) 3.426 8.076 ( -1.537 0.000 3.724) 4.029 8.138 ( -0.514 0.000 -0.699) 0.867 8.245 ( 1.568 0.000 -0.976) 1.847 8.261 ( 1.929 0.000 -0.982) 2.165 8.294 ( 3.653 0.000 1.947) 4.139 8.379 ( -3.194 0.000 -1.675) 3.607 8.433 ( 1.173 0.000 -0.919) 1.490 8.477 ( 0.570 0.000 -0.219) 0.610 8.504 ( -0.415 0.000 0.690) 0.805 8.684 ( -3.912 0.000 -1.816) 4.313 8.707 ( 2.461 0.000 1.465) 2.864 8.901 ( 0.799 0.000 1.061) 1.328 8.926 ( 0.494 0.000 -2.599) 2.646 9.032 ( -0.469 0.000 2.839) 2.877 9.053 ( 0.015 0.000 0.710) 0.710 9.091 ( 0.323 0.000 1.334) 1.372 9.152 ( -0.973 0.000 -1.616) 1.886 9.213 ( 5.176 0.000 -0.171) 5.179 9.348 ( -1.932 0.000 0.082) 1.933 9.365 ( -0.007 0.000 1.458) 1.458 9.409 ( 1.585 0.000 1.318) 2.062 9.469 ( 3.257 0.000 2.289) 3.980 9.490 ( 0.665 0.000 1.828) 1.945 9.530 ( -1.395 0.000 -1.764) 2.249 9.655 ( 6.312 0.000 0.479) 6.331 9.673 ( -0.670 0.000 0.780) 1.028 9.743 ( 0.170 0.000 -3.234) 3.238 9.812 ( -5.487 0.000 -3.693) 6.614 9.839 ( 0.667 0.000 -0.929) 1.144 9.882 ( -2.068 0.000 -0.384) 2.104 10.025 ( 0.100 0.000 -0.977) 0.983 10.124 ( -3.241 0.000 0.085) 3.242 10.198 ( -0.927 0.000 1.974) 2.181 10.241 ( -0.711 0.000 -1.063) 1.279 10.316 ( -2.692 0.000 0.782) 2.803 10.603 ( 1.334 0.000 -1.820) 2.256 10.650 ( 0.841 0.000 -1.083) 1.371 10.714 ( -1.542 0.000 1.392) 2.078 10.784 ( 3.272 0.000 1.793) 3.731 10.957 ( -0.020 0.000 0.108) 0.110 11.230 ( 0.051 0.000 -1.062) 1.064 11.382 ( 0.844 0.000 1.177) 1.449 11.585 ( -3.845 0.000 -3.028) 4.894 12.053 ( 0.132 0.000 -0.584) 0.599 12.181 ( -0.523 0.000 1.110) 1.227 12.547 ( 4.596 0.000 -0.203) 4.601 13.117 ( -1.854 0.000 -2.603) 3.196 13.327 ( 1.144 0.000 3.204) 3.402 13.345 ( 1.978 0.000 -1.190) 2.309 13.474 ( -4.233 0.000 -1.308) 4.430 13.633 ( -0.816 0.000 -0.513) 0.964 13.681 ( -0.225 0.000 -0.804) 0.835 13.978 ( -0.974 0.000 -0.167) 0.989 13.987 ( -0.906 0.000 2.974) 3.109 14.192 ( 0.268 0.000 -0.185) 0.325 14.244 ( 0.842 0.000 0.292) 0.891 14.400 ( 1.027 0.000 0.421) 1.110 14.519 ( 0.076 0.000 0.166) 0.182 14.740 ( 0.136 0.000 0.533) 0.550 16.606 ( -0.594 0.000 -1.007) 1.169 16.892 ( -0.716 0.000 -1.130) 1.338 17.078 ( 2.028 0.000 0.141) 2.033 17.176 ( 0.848 0.000 -0.884) 1.225 17.662 ( 6.963 0.000 1.384) 7.099 17.782 ( 15.587 0.000 -1.610) 15.670 18.060 ( -2.473 0.000 -0.570) 2.538 18.077 ( -13.252 0.000 -0.247) 13.255 18.444 ( 2.304 0.000 1.136) 2.569 18.578 ( 0.380 0.000 -0.331) 0.504 18.651 ( 0.198 0.000 0.782) 0.807 18.737 ( 8.839 0.000 -5.434) 10.376 18.786 ( -3.831 0.000 -0.386) 3.850 18.838 ( -3.042 0.000 0.963) 3.191 19.161 ( -0.541 0.000 0.071) 0.545 19.236 ( 4.384 0.000 1.318) 4.578 19.746 ( -2.091 0.000 0.879) 2.268 19.787 ( -1.961 0.000 -4.033) 4.484 19.888 ( -7.164 0.000 12.290) 14.225 20.147 ( -1.001 0.000 -0.591) 1.162 20.169 ( -0.920 0.000 -0.335) 0.979 20.359 ( -2.716 0.000 -1.670) 3.189 20.402 ( -0.587 0.000 0.485) 0.761 20.679 ( -4.864 0.000 -0.177) 4.867 22.278 ( 1.189 0.000 -0.423) 1.262 22.306 ( -0.047 0.000 0.133) 0.141 22.309 ( 1.264 0.000 0.270) 1.292 22.382 ( 0.516 0.000 -0.154) 0.539 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 0.000 28.386 0.000) 28.386 0.672 ( 0.000 29.392 0.000) 29.392 1.287 ( 0.000 55.341 0.000) 55.341 1.736 ( 0.000 -16.307 0.000) 16.307 1.793 ( 0.000 -14.936 0.000) 14.936 2.036 ( 0.000 -1.799 0.000) 1.799 2.067 ( 0.000 0.238 0.000) 0.238 2.142 ( 0.000 1.164 0.000) 1.164 2.204 ( 0.000 1.648 0.000) 1.648 2.243 ( 0.000 -3.151 0.000) 3.151 2.319 ( 0.000 7.007 0.000) 7.007 2.458 ( 0.000 -1.675 0.000) 1.675 2.492 ( 0.000 -7.045 0.000) 7.045 2.595 ( 0.000 0.703 0.000) 0.703 2.603 ( 0.000 0.639 0.000) 0.639 2.674 ( 0.000 -2.592 0.000) 2.592 2.735 ( 0.000 -4.598 0.000) 4.598 2.858 ( 0.000 3.447 0.000) 3.447 2.862 ( 0.000 3.066 0.000) 3.066 2.870 ( 0.000 4.145 0.000) 4.145 3.008 ( 0.000 3.984 0.000) 3.984 3.029 ( 0.000 3.938 0.000) 3.938 3.075 ( 0.000 3.737 0.000) 3.737 3.117 ( 0.000 4.262 0.000) 4.262 3.128 ( 0.000 -0.411 0.000) 0.411 3.175 ( 0.000 -1.593 0.000) 1.593 3.240 ( 0.000 -1.206 0.000) 1.206 3.261 ( 0.000 0.778 0.000) 0.778 3.330 ( 0.000 2.489 0.000) 2.489 3.363 ( 0.000 -6.500 0.000) 6.500 3.379 ( 0.000 -5.759 0.000) 5.759 3.405 ( 0.000 1.111 0.000) 1.111 3.446 ( 0.000 9.955 0.000) 9.955 3.540 ( 0.000 1.209 0.000) 1.209 3.611 ( 0.000 4.048 0.000) 4.048 3.670 ( 0.000 0.576 0.000) 0.576 3.710 ( 0.000 0.432 0.000) 0.432 3.779 ( 0.000 -19.816 0.000) 19.816 3.847 ( 0.000 -7.036 0.000) 7.036 3.856 ( 0.000 -4.022 0.000) 4.022 3.909 ( 0.000 0.051 0.000) 0.051 3.979 ( 0.000 -4.811 0.000) 4.811 4.110 ( 0.000 -5.107 0.000) 5.107 4.116 ( 0.000 4.703 0.000) 4.703 4.186 ( 0.000 -0.254 0.000) 0.254 4.286 ( 0.000 1.723 0.000) 1.723 4.295 ( 0.000 0.996 0.000) 0.996 4.345 ( 0.000 2.028 0.000) 2.028 4.547 ( 0.000 -8.275 0.000) 8.275 4.603 ( 0.000 -3.504 0.000) 3.504 4.608 ( 0.000 6.533 0.000) 6.533 4.709 ( 0.000 -2.898 0.000) 2.898 4.900 ( 0.000 0.059 0.000) 0.059 5.001 ( 0.000 4.081 0.000) 4.081 5.037 ( 0.000 0.334 0.000) 0.334 5.040 ( 0.000 -3.513 0.000) 3.513 5.058 ( 0.000 -2.573 0.000) 2.573 5.209 ( 0.000 -4.313 0.000) 4.313 5.280 ( 0.000 0.110 0.000) 0.110 5.408 ( 0.000 -3.980 0.000) 3.980 5.468 ( 0.000 -3.589 0.000) 3.589 5.473 ( 0.000 -6.751 0.000) 6.751 5.624 ( 0.000 10.976 0.000) 10.976 5.760 ( 0.000 0.485 0.000) 0.485 5.767 ( 0.000 7.755 0.000) 7.755 5.781 ( 0.000 0.075 0.000) 0.075 5.841 ( 0.000 -1.223 0.000) 1.223 5.929 ( 0.000 4.437 0.000) 4.437 6.177 ( 0.000 0.611 0.000) 0.611 6.186 ( 0.000 0.330 0.000) 0.330 6.216 ( 0.000 3.048 0.000) 3.048 6.247 ( 0.000 6.708 0.000) 6.708 6.288 ( 0.000 -1.465 0.000) 1.465 6.302 ( 0.000 -2.292 0.000) 2.292 6.423 ( 0.000 -3.222 0.000) 3.222 6.468 ( 0.000 -3.198 0.000) 3.198 6.494 ( 0.000 -0.068 0.000) 0.068 6.523 ( 0.000 -0.862 0.000) 0.862 6.653 ( 0.000 3.265 0.000) 3.265 6.701 ( 0.000 -1.374 0.000) 1.374 6.780 ( 0.000 -2.446 0.000) 2.446 6.817 ( 0.000 0.061 0.000) 0.061 7.152 ( 0.000 4.316 0.000) 4.316 7.217 ( 0.000 8.191 0.000) 8.191 7.249 ( 0.000 4.368 0.000) 4.368 7.306 ( 0.000 -0.505 0.000) 0.505 7.406 ( 0.000 -0.824 0.000) 0.824 7.531 ( 0.000 0.284 0.000) 0.284 7.543 ( 0.000 -3.227 0.000) 3.227 7.688 ( 0.000 7.156 0.000) 7.156 7.770 ( 0.000 -10.433 0.000) 10.433 7.846 ( 0.000 2.342 0.000) 2.342 7.960 ( 0.000 5.850 0.000) 5.850 7.967 ( 0.000 -7.252 0.000) 7.252 8.053 ( 0.000 -4.423 0.000) 4.423 8.160 ( 0.000 0.451 0.000) 0.451 8.299 ( 0.000 0.966 0.000) 0.966 8.320 ( 0.000 -2.798 0.000) 2.798 8.372 ( 0.000 -1.131 0.000) 1.131 8.452 ( 0.000 -2.553 0.000) 2.553 8.483 ( 0.000 -1.495 0.000) 1.495 8.533 ( 0.000 0.856 0.000) 0.856 8.665 ( 0.000 3.770 0.000) 3.770 8.714 ( 0.000 2.173 0.000) 2.173 8.839 ( 0.000 0.674 0.000) 0.674 8.846 ( 0.000 3.121 0.000) 3.121 8.934 ( 0.000 -2.033 0.000) 2.033 8.972 ( 0.000 -0.566 0.000) 0.566 9.024 ( 0.000 10.926 0.000) 10.926 9.045 ( 0.000 1.550 0.000) 1.550 9.177 ( 0.000 2.837 0.000) 2.837 9.238 ( 0.000 -3.330 0.000) 3.330 9.286 ( 0.000 3.368 0.000) 3.368 9.383 ( 0.000 0.303 0.000) 0.303 9.428 ( 0.000 3.116 0.000) 3.116 9.447 ( 0.000 2.782 0.000) 2.782 9.497 ( 0.000 1.105 0.000) 1.105 9.563 ( 0.000 0.736 0.000) 0.736 9.662 ( 0.000 -6.253 0.000) 6.253 9.745 ( 0.000 -4.326 0.000) 4.326 9.749 ( 0.000 -0.860 0.000) 0.860 9.861 ( 0.000 -4.315 0.000) 4.315 9.957 ( 0.000 -7.857 0.000) 7.857 9.959 ( 0.000 -10.472 0.000) 10.472 10.256 ( 0.000 -0.036 0.000) 0.036 10.349 ( 0.000 -0.179 0.000) 0.179 10.400 ( 0.000 1.099 0.000) 1.099 10.408 ( 0.000 -4.583 0.000) 4.583 10.526 ( 0.000 1.916 0.000) 1.916 10.544 ( 0.000 4.682 0.000) 4.682 10.675 ( 0.000 5.725 0.000) 5.725 10.750 ( 0.000 0.815 0.000) 0.815 10.916 ( 0.000 -2.974 0.000) 2.974 11.070 ( 0.000 2.420 0.000) 2.420 11.238 ( 0.000 2.727 0.000) 2.727 11.765 ( 0.000 -11.867 0.000) 11.867 11.950 ( 0.000 3.414 0.000) 3.414 12.099 ( 0.000 -0.820 0.000) 0.820 12.332 ( 0.000 11.245 0.000) 11.245 12.906 ( 0.000 -10.396 0.000) 10.396 13.332 ( 0.000 -3.686 0.000) 3.686 13.402 ( 0.000 -4.665 0.000) 4.665 13.492 ( 0.000 3.893 0.000) 3.893 13.673 ( 0.000 -2.359 0.000) 2.359 13.765 ( 0.000 7.771 0.000) 7.771 13.843 ( 0.000 3.103 0.000) 3.103 14.105 ( 0.000 0.865 0.000) 0.865 14.253 ( 0.000 3.448 0.000) 3.448 14.290 ( 0.000 -0.528 0.000) 0.528 14.358 ( 0.000 -2.188 0.000) 2.188 14.531 ( 0.000 2.394 0.000) 2.394 14.695 ( 0.000 -2.061 0.000) 2.061 16.730 ( 0.000 4.592 0.000) 4.592 16.777 ( 0.000 4.325 0.000) 4.325 16.988 ( 0.000 -3.279 0.000) 3.279 17.053 ( 0.000 -5.559 0.000) 5.559 17.299 ( 0.000 14.812 0.000) 14.812 18.156 ( 0.000 -1.648 0.000) 1.648 18.172 ( 0.000 -0.510 0.000) 0.510 18.179 ( 0.000 0.271 0.000) 0.271 18.190 ( 0.000 -0.184 0.000) 0.184 18.276 ( 0.000 -18.603 0.000) 18.603 18.667 ( 0.000 2.396 0.000) 2.396 18.784 ( 0.000 0.113 0.000) 0.113 18.802 ( 0.000 2.398 0.000) 2.398 18.857 ( 0.000 0.624 0.000) 0.624 19.155 ( 0.000 -1.109 0.000) 1.109 19.191 ( 0.000 -1.766 0.000) 1.766 19.678 ( 0.000 3.424 0.000) 3.424 19.914 ( 0.000 -7.125 0.000) 7.125 20.224 ( 0.000 -2.934 0.000) 2.934 20.244 ( 0.000 -1.943 0.000) 1.943 20.430 ( 0.000 8.575 0.000) 8.575 20.562 ( 0.000 11.450 0.000) 11.450 20.584 ( 0.000 -0.274 0.000) 0.274 21.098 ( 0.000 -8.121 0.000) 8.121 22.188 ( 0.000 0.687 0.000) 0.687 22.224 ( 0.000 0.431 0.000) 0.431 22.228 ( 0.000 -0.733 0.000) 0.733 22.251 ( 0.000 -0.467 0.000) 0.467 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 16.286 22.040 -0.730) 27.414 0.893 ( 18.859 20.624 3.255) 28.135 1.591 ( 27.230 37.876 8.428) 47.403 1.736 ( -0.277 -12.171 -8.010) 14.573 1.833 ( 6.110 -14.565 2.165) 15.943 2.026 ( 4.074 -0.560 1.025) 4.238 2.118 ( 2.295 -1.397 -0.047) 2.687 2.199 ( 3.677 1.707 -4.643) 6.164 2.220 ( 6.940 -1.130 -3.471) 7.841 2.338 ( 0.809 3.104 -1.493) 3.538 2.358 ( 7.305 -1.680 4.981) 8.999 2.508 ( 0.589 -4.546 -1.695) 4.888 2.534 ( 6.785 -0.014 -0.366) 6.795 2.573 ( -2.507 0.346 -0.406) 2.563 2.587 ( -1.742 0.614 -0.626) 1.950 2.657 ( -1.885 -1.257 -0.673) 2.363 2.734 ( -1.580 0.342 5.070) 5.322 2.790 ( -4.461 3.618 -2.053) 6.100 2.818 ( -3.456 -0.771 -1.719) 3.936 2.866 ( -0.726 2.337 -0.693) 2.543 2.916 ( -5.053 1.209 -5.050) 7.246 3.016 ( -0.998 1.003 1.122) 1.806 3.081 ( -2.312 0.855 -3.319) 4.134 3.146 ( -3.762 -1.864 4.724) 6.320 3.162 ( 1.647 -0.285 -0.312) 1.700 3.182 ( 2.021 2.385 1.681) 3.550 3.233 ( 2.137 2.095 -4.402) 5.323 3.267 ( -1.781 -0.684 3.288) 3.801 3.306 ( 2.360 4.283 0.545) 4.920 3.314 ( 3.430 -4.934 -4.022) 7.231 3.402 ( -1.726 -1.476 2.356) 3.273 3.482 ( 4.402 1.518 2.982) 5.529 3.522 ( 6.694 5.937 -2.745) 9.359 3.559 ( -2.546 1.562 6.169) 6.854 3.585 ( 4.356 1.937 0.262) 4.774 3.703 ( -3.751 -1.683 -2.716) 4.927 3.750 ( -0.587 -3.433 0.069) 3.483 3.809 ( 7.089 -7.636 -2.433) 10.700 3.871 ( 5.710 -6.543 -1.702) 8.850 3.903 ( 2.807 -4.144 2.093) 5.425 3.916 ( 1.211 -0.184 -1.926) 2.283 4.001 ( 2.379 0.993 3.098) 4.030 4.066 ( 0.563 -7.129 -1.107) 7.237 4.122 ( -0.460 -1.494 -2.711) 3.129 4.174 ( -4.860 1.181 2.986) 5.825 4.243 ( -0.199 1.439 1.504) 2.091 4.308 ( 1.060 -0.640 1.455) 1.910 4.460 ( 7.098 2.283 4.154) 8.535 4.559 ( -1.012 0.640 -6.201) 6.316 4.625 ( 2.027 -3.740 1.021) 4.376 4.633 ( 5.025 -4.504 -0.965) 6.817 4.758 ( 4.167 -1.651 -2.401) 5.085 4.860 ( -5.071 6.658 -0.158) 8.370 4.875 ( -3.435 1.070 -2.209) 4.222 4.973 ( -3.449 1.867 3.493) 5.252 5.070 ( 0.743 -4.047 1.892) 4.529 5.159 ( 4.060 -4.525 0.626) 6.111 5.193 ( -2.669 -5.266 1.631) 6.125 5.312 ( 1.778 -1.251 -0.375) 2.206 5.391 ( -3.834 -4.138 -1.928) 5.961 5.400 ( -2.755 -2.466 -4.642) 5.934 5.472 ( -0.042 -5.099 -0.024) 5.099 5.628 ( -2.273 3.736 2.378) 4.977 5.674 ( -4.888 6.383 -2.361) 8.379 5.738 ( -4.383 0.491 2.915) 5.287 5.757 ( -7.459 0.299 -1.285) 7.575 5.849 ( 2.729 4.937 1.747) 5.906 5.897 ( -3.087 3.998 -0.697) 5.099 6.030 ( -13.380 6.854 -2.290) 15.207 6.074 ( -9.065 5.515 -5.405) 11.908 6.152 ( -3.936 -1.009 0.735) 4.130 6.210 ( 0.201 1.365 -1.934) 2.375 6.274 ( -4.147 0.094 4.345) 6.007 6.307 ( -0.339 -1.517 2.551) 2.988 6.398 ( -1.038 3.064 -0.069) 3.236 6.438 ( -0.474 0.649 3.196) 3.296 6.472 ( 0.211 -4.452 -0.521) 4.487 6.494 ( -6.011 -3.384 -0.646) 6.928 6.608 ( 0.420 1.668 -2.762) 3.254 6.689 ( 3.082 1.990 -3.381) 4.989 6.811 ( -0.520 4.305 2.069) 4.805 6.904 ( 4.546 -1.277 3.320) 5.772 7.068 ( -6.496 5.710 3.454) 9.313 7.153 ( -3.733 3.468 3.239) 6.038 7.287 ( 4.028 1.187 2.155) 4.720 7.401 ( -2.342 -4.238 -2.453) 5.427 7.437 ( -0.079 1.117 -2.189) 2.459 7.513 ( 2.883 1.979 -2.086) 4.072 7.568 ( 5.650 0.595 -1.093) 5.785 7.655 ( -0.992 -2.494 -1.654) 3.153 7.788 ( 0.138 1.430 3.890) 4.147 7.880 ( 4.195 1.310 -2.831) 5.228 7.949 ( -0.603 0.089 0.496) 0.786 8.023 ( 1.455 -3.943 4.083) 5.860 8.104 ( 5.059 1.727 -5.221) 7.472 8.175 ( 2.454 3.601 -6.305) 7.665 8.188 ( 1.114 -1.239 0.007) 1.666 8.312 ( -1.354 0.928 -0.668) 1.772 8.368 ( -1.651 -2.441 1.982) 3.552 8.435 ( -3.733 -0.061 1.436) 4.000 8.516 ( 1.091 -3.679 0.250) 3.845 8.532 ( -0.570 -3.272 1.751) 3.755 8.714 ( 3.066 1.678 -2.187) 4.123 8.725 ( -0.424 4.862 5.303) 7.207 8.798 ( 0.175 0.327 -1.309) 1.361 8.887 ( 0.108 -3.941 -1.940) 4.394 8.936 ( 0.006 2.654 -0.843) 2.785 9.053 ( 4.556 -2.864 -0.262) 5.388 9.087 ( 3.242 4.529 2.830) 6.247 9.115 ( 2.086 1.644 -1.168) 2.902 9.199 ( 6.193 1.947 1.044) 6.575 9.272 ( 2.909 0.629 0.197) 2.982 9.300 ( 0.996 1.895 0.301) 2.162 9.386 ( -1.461 1.707 0.639) 2.336 9.414 ( -1.289 2.326 -0.946) 2.822 9.428 ( 0.315 -0.778 -0.752) 1.127 9.487 ( -1.018 -0.299 0.336) 1.113 9.541 ( 0.133 0.962 -2.225) 2.428 9.670 ( 0.307 -5.701 0.920) 5.783 9.737 ( -0.269 -0.839 -0.450) 0.990 9.738 ( 1.102 -3.169 -3.751) 5.033 9.884 ( -0.232 -7.263 -0.744) 7.305 9.944 ( 0.951 -7.479 2.268) 7.873 10.059 ( 3.856 -5.836 0.546) 7.016 10.229 ( -4.803 0.776 0.256) 4.872 10.278 ( -3.200 1.516 -1.260) 3.758 10.367 ( -4.200 -3.060 0.232) 5.202 10.404 ( -0.615 -3.412 -2.277) 4.147 10.553 ( 3.045 2.142 0.047) 3.723 10.605 ( 4.140 2.094 0.143) 4.642 10.687 ( 2.169 6.077 -2.645) 6.974 10.758 ( 0.139 1.382 2.592) 2.941 11.023 ( 8.366 -6.973 -4.252) 11.692 11.104 ( 2.224 -1.353 5.285) 5.891 11.227 ( -0.637 2.920 -1.423) 3.310 11.822 ( 5.036 -11.982 -4.623) 13.795 11.928 ( -2.041 1.142 -0.207) 2.348 12.138 ( 4.802 -2.724 0.162) 5.523 12.318 ( -1.714 10.793 1.776) 11.072 12.922 ( 2.216 -14.342 -2.983) 14.816 13.263 ( -5.377 -2.892 0.963) 6.181 13.356 ( -4.870 -5.668 1.339) 7.591 13.577 ( 6.319 -0.484 -6.330) 8.958 13.671 ( -0.533 -1.972 1.721) 2.671 13.771 ( -0.354 7.445 2.226) 7.778 13.846 ( -1.165 2.450 5.866) 6.462 14.129 ( 1.752 1.313 1.670) 2.754 14.254 ( 0.473 3.265 -0.706) 3.374 14.291 ( -3.905 1.745 -2.745) 5.083 14.307 ( 0.925 -1.405 1.299) 2.126 14.536 ( 0.441 2.883 0.553) 2.968 14.707 ( 0.335 -2.036 1.384) 2.485 16.761 ( 1.580 5.773 -0.717) 6.028 16.823 ( 5.509 3.225 1.082) 6.475 17.041 ( 4.680 -1.104 -0.493) 4.833 17.122 ( 6.909 -4.993 0.106) 8.525 17.339 ( 4.547 10.645 0.342) 11.580 17.878 ( -15.517 15.639 -10.803) 24.537 18.103 ( -5.363 -7.423 0.754) 9.189 18.201 ( 1.859 -1.793 -0.159) 2.588 18.253 ( 4.575 -2.465 -1.385) 5.378 18.419 ( 6.785 -11.344 3.746) 13.739 18.595 ( -2.292 3.132 -10.043) 10.767 18.708 ( -4.428 -1.425 -0.649) 4.696 18.768 ( 3.136 7.258 -10.181) 12.890 18.904 ( 7.407 1.575 -0.459) 7.586 19.135 ( -1.963 -0.093 -0.419) 2.009 19.185 ( -1.256 -1.497 1.056) 2.221 19.744 ( -4.849 -4.571 21.717) 22.717 19.822 ( -9.767 -6.793 4.909) 12.870 20.218 ( -1.976 -1.892 1.037) 2.926 20.223 ( -2.885 -0.830 1.188) 3.229 20.368 ( -5.417 7.910 -1.653) 9.729 20.526 ( -3.669 2.888 -0.959) 4.767 20.554 ( -3.539 6.077 1.138) 7.124 20.970 ( -10.135 -3.356 0.342) 10.682 22.214 ( 2.288 0.574 0.376) 2.389 22.234 ( 1.560 0.550 -0.621) 1.767 22.262 ( 1.218 -0.894 -0.049) 1.512 22.287 ( 4.032 -2.581 -0.605) 4.825 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 22.297 12.365 1.842) 25.562 1.283 ( 20.098 12.357 7.653) 24.803 1.697 ( 3.429 -5.692 -7.118) 9.737 1.969 ( 6.732 -5.191 1.603) 8.650 2.015 ( 3.546 -2.247 2.600) 4.938 2.177 ( 7.051 2.046 -4.198) 8.457 2.180 ( 7.561 -3.040 -3.262) 8.778 2.260 ( -0.385 -3.243 -3.688) 4.926 2.280 ( 5.212 1.161 0.239) 5.345 2.398 ( -5.005 1.056 -0.872) 5.189 2.427 ( 5.811 1.101 -3.711) 6.982 2.470 ( -2.651 -3.052 -0.158) 4.046 2.492 ( -6.255 3.501 -3.830) 8.127 2.519 ( 1.995 2.709 -0.696) 3.436 2.540 ( -0.677 -0.722 -0.843) 1.300 2.673 ( -1.994 2.315 -2.275) 3.809 2.695 ( 1.776 3.637 0.066) 4.048 2.746 ( 0.905 0.968 -1.565) 2.050 2.818 ( -1.299 -0.589 -4.492) 4.713 2.830 ( 0.503 0.344 2.261) 2.341 2.877 ( 1.876 1.425 2.185) 3.214 2.959 ( -1.468 -2.010 -1.952) 3.163 3.013 ( -0.452 -1.609 7.092) 7.286 3.104 ( -1.172 -1.409 1.465) 2.346 3.148 ( -4.832 -2.046 2.969) 6.029 3.232 ( 4.437 4.893 -0.200) 6.608 3.266 ( 5.506 -2.844 2.006) 6.514 3.326 ( -0.987 1.128 -0.695) 1.653 3.354 ( 0.249 2.448 3.622) 4.379 3.383 ( 1.931 4.773 0.556) 5.179 3.432 ( 7.326 5.629 1.611) 9.379 3.527 ( -3.143 -0.060 -2.225) 3.851 3.562 ( -0.048 1.890 2.287) 2.968 3.585 ( 2.373 2.872 -0.086) 3.727 3.666 ( 5.907 -0.582 1.304) 6.077 3.710 ( 2.292 -0.518 -1.217) 2.646 3.741 ( 5.502 2.070 -2.887) 6.549 3.866 ( -1.593 1.208 -0.294) 2.021 3.912 ( 3.279 0.121 -2.630) 4.205 3.934 ( 2.249 0.030 2.410) 3.296 3.992 ( 0.742 1.302 -1.015) 1.810 4.054 ( 6.121 -7.869 2.771) 10.348 4.095 ( -3.332 5.059 2.990) 6.755 4.126 ( 2.519 -6.337 1.194) 6.923 4.206 ( 10.123 -2.695 0.378) 10.482 4.269 ( 0.621 -1.867 0.106) 1.970 4.381 ( 5.810 -2.481 0.348) 6.327 4.490 ( 0.186 2.988 -4.426) 5.343 4.521 ( -2.715 0.033 -0.992) 2.890 4.613 ( -3.414 -2.831 -6.384) 7.774 4.709 ( 1.912 0.837 0.070) 2.088 4.742 ( -0.644 -4.730 -1.634) 5.046 4.835 ( 1.456 2.460 -3.145) 4.250 4.901 ( 3.307 7.230 4.185) 8.985 4.971 ( 0.768 2.966 5.544) 6.334 5.062 ( -7.854 -1.076 -3.203) 8.550 5.104 ( -4.196 -4.352 0.253) 6.050 5.192 ( -5.037 -6.307 -3.377) 8.750 5.241 ( 1.700 -5.140 0.435) 5.432 5.346 ( 1.866 -0.312 -4.658) 5.027 5.382 ( 1.249 -6.034 0.225) 6.166 5.453 ( -5.184 0.228 0.778) 5.247 5.526 ( -6.043 -1.758 -0.154) 6.295 5.586 ( -5.753 3.599 5.148) 8.518 5.611 ( -5.029 -1.416 -3.375) 6.220 5.671 ( -4.258 0.362 2.066) 4.746 5.791 ( -7.625 4.720 -2.842) 9.407 5.808 ( -4.992 3.691 -1.183) 6.320 5.889 ( -6.014 4.494 -0.886) 7.559 5.975 ( 1.064 5.438 2.305) 6.001 6.067 ( -6.577 -2.334 2.611) 7.452 6.198 ( -4.465 1.330 0.926) 4.750 6.226 ( 0.087 -2.527 2.929) 3.869 6.297 ( -0.558 -1.273 -0.934) 1.675 6.376 ( -4.225 -3.698 0.216) 5.619 6.401 ( 0.526 -4.210 -1.117) 4.388 6.441 ( 1.149 2.473 -1.631) 3.177 6.517 ( 0.887 0.339 4.029) 4.139 6.597 ( -0.747 1.352 1.147) 1.924 6.681 ( -2.174 2.973 -7.205) 8.092 6.844 ( 3.911 4.812 0.037) 6.201 6.942 ( -1.367 -0.140 3.184) 3.468 7.010 ( -2.925 4.214 1.862) 5.457 7.117 ( -3.047 -0.574 5.238) 6.086 7.275 ( -4.066 -2.254 -3.385) 5.751 7.372 ( -2.737 -4.001 -2.711) 5.554 7.419 ( 2.646 0.511 2.632) 3.767 7.529 ( 0.663 4.663 -1.094) 4.835 7.620 ( 1.266 -2.205 -1.873) 3.158 7.697 ( 4.038 2.227 1.449) 4.834 7.848 ( 3.583 3.824 0.683) 5.285 7.913 ( 1.481 2.135 -3.959) 4.735 7.972 ( 3.918 0.846 -3.320) 5.205 8.048 ( -1.047 -3.435 3.521) 5.029 8.137 ( 2.039 1.369 -2.777) 3.707 8.180 ( 1.028 -0.435 -0.463) 1.209 8.264 ( -1.552 -0.126 -0.695) 1.705 8.281 ( 5.134 2.105 0.018) 5.549 8.368 ( 0.956 -0.870 -0.387) 1.349 8.391 ( -0.782 -1.367 1.210) 1.986 8.496 ( -0.788 0.843 -1.068) 1.573 8.608 ( 5.204 -1.729 1.791) 5.768 8.711 ( -3.894 8.017 4.987) 10.213 8.760 ( 2.348 0.927 -0.535) 2.580 8.831 ( 1.288 -1.858 3.041) 3.789 8.877 ( -0.073 -3.017 -0.475) 3.055 8.924 ( 1.528 -2.234 -5.642) 6.258 9.050 ( -2.389 -3.098 -3.863) 5.498 9.101 ( -0.784 2.823 -0.366) 2.953 9.167 ( 2.448 2.122 3.091) 4.477 9.254 ( -2.922 1.375 -0.914) 3.356 9.321 ( 1.153 2.575 1.654) 3.270 9.337 ( -1.312 -0.594 4.054) 4.302 9.369 ( 2.956 -1.462 2.897) 4.389 9.411 ( 1.100 0.469 1.557) 1.963 9.443 ( 3.131 -0.192 -1.869) 3.651 9.517 ( 2.846 -0.837 0.111) 2.968 9.573 ( 5.096 1.715 -2.555) 5.953 9.685 ( 1.445 -5.083 -1.298) 5.442 9.699 ( -1.379 -1.164 -3.663) 4.084 9.755 ( 0.329 -1.580 -0.032) 1.614 9.862 ( 0.912 -5.426 -2.755) 6.153 9.986 ( 1.139 -1.920 1.243) 2.555 10.064 ( -3.394 3.327 -1.030) 4.863 10.135 ( -3.729 -3.312 2.213) 5.456 10.223 ( -2.989 1.612 -1.701) 3.798 10.289 ( -3.962 -1.665 0.483) 4.325 10.356 ( -3.303 -2.672 -0.750) 4.314 10.593 ( 2.212 2.700 -1.332) 3.736 10.693 ( 4.702 1.065 2.344) 5.361 10.699 ( 1.307 3.868 -4.019) 5.730 10.778 ( -0.574 3.761 3.306) 5.040 11.089 ( 3.111 2.137 -4.055) 5.540 11.193 ( 3.314 -8.247 2.499) 9.233 11.206 ( -0.817 1.858 0.152) 2.036 11.795 ( -3.896 5.358 -5.093) 8.356 11.908 ( 0.869 -12.177 -2.499) 12.461 12.261 ( 8.460 -8.348 -4.642) 12.759 12.305 ( -2.433 8.698 7.145) 11.516 12.940 ( 1.626 -15.922 -2.223) 16.158 13.173 ( -4.729 -3.816 0.576) 6.104 13.284 ( -3.653 -8.012 2.382) 9.122 13.582 ( 0.716 2.368 -7.151) 7.567 13.676 ( -0.427 -2.484 0.532) 2.576 13.772 ( -1.274 6.506 2.825) 7.207 13.872 ( -1.066 0.995 5.945) 6.121 14.171 ( 0.997 3.455 2.121) 4.175 14.224 ( -0.635 3.776 -2.909) 4.809 14.267 ( 0.977 2.582 0.058) 2.761 14.340 ( 1.377 -2.118 1.410) 2.893 14.550 ( 0.612 3.316 0.445) 3.401 14.719 ( 0.170 -1.726 1.202) 2.110 16.779 ( 1.225 10.374 -1.347) 10.532 16.944 ( 6.013 4.345 0.837) 7.466 17.106 ( 2.879 3.371 -0.882) 4.520 17.256 ( 5.518 -0.093 0.116) 5.520 17.470 ( 9.454 2.623 0.029) 9.811 17.623 ( -3.822 10.714 -7.123) 13.421 18.013 ( -5.205 -9.559 1.137) 10.944 18.173 ( -5.675 -5.868 -0.356) 8.171 18.353 ( 5.909 -0.119 0.410) 5.925 18.508 ( 2.231 -6.761 -2.208) 7.454 18.561 ( 2.010 -1.806 -3.086) 4.102 18.634 ( -2.509 -3.127 -0.807) 4.090 18.806 ( 5.685 6.831 -5.849) 10.639 19.047 ( 5.687 3.333 -0.560) 6.615 19.099 ( 0.802 -0.418 1.364) 1.637 19.165 ( -1.397 -1.071 1.211) 2.137 19.658 ( -7.480 -4.913 1.539) 9.081 19.792 ( -4.499 -6.471 15.420) 17.317 20.130 ( -8.582 5.429 4.615) 11.154 20.179 ( -2.729 -0.657 -0.272) 2.820 20.266 ( -3.355 4.278 -2.294) 5.901 20.426 ( -5.379 -1.725 -2.583) 6.211 20.485 ( -4.494 5.915 1.170) 7.520 20.788 ( -10.016 -3.245 0.169) 10.530 22.250 ( 1.793 0.110 -0.429) 1.847 22.277 ( 2.310 0.660 0.160) 2.408 22.286 ( 1.611 -0.713 0.111) 1.765 22.341 ( 2.312 -1.783 -0.287) 2.934 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 19.483 6.611 4.182) 20.995 1.679 ( 15.714 2.674 6.049) 17.049 1.793 ( 10.483 0.620 -0.093) 10.501 1.970 ( -5.391 -3.972 -3.822) 7.710 1.997 ( -6.750 -1.422 -3.866) 7.908 2.091 ( -9.659 2.469 -0.875) 10.008 2.148 ( -7.726 -1.021 -3.546) 8.562 2.189 ( -6.403 -4.260 -3.255) 8.351 2.237 ( -0.347 -4.404 -1.567) 4.687 2.356 ( 1.939 -1.009 0.738) 2.307 2.411 ( 4.789 1.533 -2.866) 5.788 2.421 ( -0.603 -7.599 0.835) 7.668 2.486 ( -0.188 -2.446 0.055) 2.453 2.514 ( -0.684 -1.403 -1.627) 2.254 2.580 ( -4.591 1.522 -1.619) 5.100 2.613 ( 1.490 0.955 0.191) 1.780 2.706 ( 1.984 0.861 -1.753) 2.784 2.716 ( -0.996 -0.992 -3.121) 3.423 2.821 ( -2.879 2.586 1.183) 4.046 2.861 ( 2.053 -0.028 0.221) 2.066 2.901 ( 0.259 -0.249 -3.453) 3.472 3.012 ( 1.147 -0.222 3.407) 3.602 3.107 ( 0.894 -3.232 0.338) 3.370 3.132 ( 2.904 -0.700 3.266) 4.426 3.152 ( 2.841 -3.675 1.544) 4.895 3.250 ( -6.229 5.241 2.077) 8.401 3.347 ( 2.725 5.703 1.835) 6.582 3.371 ( 1.716 2.271 1.935) 3.442 3.417 ( 1.422 6.395 2.614) 7.054 3.474 ( 17.646 6.431 4.327) 19.274 3.501 ( 4.065 4.954 2.340) 6.822 3.520 ( -1.256 3.802 -1.823) 4.399 3.596 ( 0.977 1.782 -1.813) 2.723 3.633 ( 3.822 6.209 0.084) 7.292 3.692 ( -1.314 -2.460 -1.254) 3.057 3.730 ( 0.521 -2.111 2.851) 3.585 3.836 ( -1.258 -1.202 1.145) 2.083 3.858 ( 7.658 3.045 -5.536) 9.928 3.953 ( 2.130 0.487 0.165) 2.191 3.978 ( -1.161 5.863 -1.955) 6.289 3.998 ( 0.202 1.779 2.556) 3.121 4.054 ( -3.153 4.617 1.158) 5.709 4.170 ( 1.600 -0.751 2.118) 2.759 4.200 ( 2.379 -5.743 3.310) 7.043 4.252 ( -3.484 -3.202 0.458) 4.754 4.302 ( -6.929 2.102 -5.531) 9.111 4.402 ( 2.291 -4.842 -1.172) 5.483 4.421 ( 4.675 -4.089 -1.964) 6.514 4.568 ( 3.176 -1.402 -2.470) 4.261 4.582 ( 0.659 0.338 -0.928) 1.187 4.665 ( 1.530 3.058 -3.119) 4.628 4.765 ( -0.204 0.951 2.162) 2.371 4.778 ( -3.854 3.378 -4.590) 6.880 4.868 ( -6.112 5.815 3.300) 9.058 4.901 ( 0.587 2.333 -5.297) 5.818 5.062 ( -1.859 -5.352 1.220) 5.796 5.109 ( 2.990 0.607 11.182) 11.591 5.146 ( 1.828 -4.456 -2.738) 5.540 5.204 ( -5.801 -0.880 -3.344) 6.753 5.304 ( -3.319 -1.958 -4.688) 6.069 5.381 ( 1.400 0.502 1.565) 2.159 5.417 ( -2.764 -6.162 3.076) 7.421 5.467 ( -0.699 -1.715 1.554) 2.417 5.555 ( 1.001 -2.772 -0.196) 2.954 5.577 ( 0.483 -1.854 0.981) 2.153 5.643 ( 0.733 -2.201 1.011) 2.531 5.670 ( -3.229 0.196 -2.204) 3.914 5.712 ( -4.055 0.806 -2.812) 5.000 5.777 ( -3.311 4.290 -1.989) 5.772 5.950 ( -5.887 -2.726 2.526) 6.962 6.025 ( 0.986 3.041 1.084) 3.376 6.100 ( -4.808 1.188 1.619) 5.211 6.280 ( 2.289 -1.223 1.800) 3.158 6.306 ( 1.109 -0.162 0.479) 1.218 6.328 ( -0.946 -1.876 -1.205) 2.422 6.406 ( 1.142 -4.917 -1.987) 5.425 6.460 ( 0.656 2.324 0.247) 2.427 6.518 ( -3.097 3.002 1.891) 4.709 6.583 ( -0.724 2.708 -1.772) 3.316 6.617 ( 0.324 -1.413 -0.798) 1.655 6.894 ( 1.398 2.030 -3.269) 4.094 6.927 ( -2.228 -2.068 5.433) 6.226 6.978 ( -0.331 5.034 -1.108) 5.165 7.105 ( -1.054 -1.860 2.092) 2.991 7.202 ( -1.750 -3.143 -1.552) 3.918 7.304 ( -1.728 -0.341 -1.822) 2.534 7.474 ( 1.152 1.970 1.589) 2.780 7.523 ( -0.184 -0.202 -0.719) 0.770 7.664 ( 3.486 1.234 -0.610) 3.748 7.721 ( -1.879 2.281 0.891) 3.087 7.897 ( 1.335 2.993 1.924) 3.800 7.920 ( 0.846 2.074 -3.132) 3.850 7.988 ( 0.757 -0.392 -1.699) 1.901 8.053 ( 0.245 -1.774 0.634) 1.900 8.137 ( -0.984 0.105 0.292) 1.032 8.192 ( 0.651 -3.085 -1.010) 3.311 8.284 ( 2.621 2.361 0.284) 3.539 8.353 ( 2.282 3.152 0.594) 3.937 8.387 ( 0.495 0.648 -0.429) 0.921 8.420 ( 2.166 1.823 2.483) 3.766 8.468 ( -1.285 -0.308 -1.807) 2.239 8.669 ( -0.333 9.887 -0.926) 9.936 8.704 ( 1.305 -1.505 3.121) 3.702 8.745 ( -2.681 4.071 -1.098) 4.997 8.863 ( 1.643 -3.929 0.181) 4.263 8.897 ( 0.870 -0.661 1.046) 1.512 8.928 ( 2.304 -5.846 -3.150) 7.029 8.987 ( -2.402 -4.617 -0.782) 5.263 9.080 ( -1.221 -0.863 0.513) 1.580 9.189 ( -0.585 2.550 0.726) 2.715 9.203 ( -1.592 -0.807 -0.401) 1.829 9.318 ( -0.533 -1.213 3.341) 3.594 9.352 ( 0.450 -5.463 0.431) 5.498 9.413 ( -0.502 -1.615 -0.757) 1.853 9.474 ( 3.220 2.801 5.133) 6.675 9.504 ( 2.669 2.454 -0.393) 3.647 9.551 ( 0.554 -0.047 -0.930) 1.084 9.640 ( 2.689 -0.897 -3.342) 4.382 9.661 ( -0.257 -0.692 -0.239) 0.776 9.692 ( 0.019 -3.161 -2.064) 3.775 9.761 ( 0.971 0.734 0.003) 1.218 9.887 ( 1.997 0.169 -1.839) 2.719 9.969 ( -2.059 5.136 -0.210) 5.538 10.008 ( -1.425 -0.197 0.474) 1.515 10.115 ( -0.080 -2.057 0.537) 2.127 10.160 ( -2.295 -1.375 -0.486) 2.719 10.235 ( -2.412 -0.691 0.767) 2.624 10.300 ( -1.743 -1.543 -0.401) 2.362 10.627 ( 1.976 3.929 -0.322) 4.410 10.686 ( -0.453 2.548 -1.853) 3.183 10.772 ( 0.569 3.160 0.826) 3.315 10.786 ( 1.299 1.430 1.965) 2.755 11.105 ( 0.805 4.772 -1.282) 5.006 11.199 ( 0.307 4.060 -0.307) 4.084 11.249 ( 1.192 -10.328 1.280) 10.475 11.689 ( -3.448 8.933 -2.428) 9.879 11.909 ( 0.483 -12.684 -1.304) 12.760 12.292 ( 0.325 9.498 -1.005) 9.557 12.366 ( 2.044 -14.405 1.813) 14.662 12.947 ( 0.263 -13.879 -0.988) 13.917 13.124 ( -1.078 -5.479 0.585) 5.614 13.254 ( -1.175 -9.689 1.209) 9.835 13.553 ( -0.108 4.159 -2.524) 4.866 13.666 ( -0.446 -1.614 -0.129) 1.680 13.764 ( -0.796 6.469 1.075) 6.606 13.875 ( -0.965 0.354 1.890) 2.151 14.185 ( 0.033 7.108 0.615) 7.134 14.223 ( 0.774 2.568 -0.632) 2.756 14.284 ( 0.573 2.267 0.163) 2.344 14.365 ( 0.554 -2.784 0.576) 2.897 14.560 ( 0.254 3.551 0.108) 3.562 14.728 ( 0.137 -1.642 0.458) 1.710 16.788 ( 0.454 14.174 -0.589) 14.194 17.027 ( 2.603 10.416 0.246) 10.739 17.134 ( 0.580 3.681 -0.186) 3.731 17.272 ( -1.091 6.820 -1.362) 7.040 17.619 ( 5.373 -2.656 0.235) 5.999 17.713 ( 13.875 -5.643 -1.119) 15.020 17.934 ( -3.452 -10.116 0.144) 10.689 17.983 ( -14.319 -8.127 0.038) 16.465 18.434 ( 2.338 -0.711 0.077) 2.445 18.524 ( 0.898 -6.283 -0.592) 6.374 18.551 ( -0.268 -2.411 -1.753) 2.993 18.626 ( 0.402 -2.360 0.036) 2.394 18.875 ( 4.085 7.433 -2.976) 8.989 19.041 ( -1.142 6.768 0.337) 6.872 19.152 ( -0.287 -0.822 0.277) 0.914 19.220 ( 4.705 -2.983 1.337) 5.729 19.569 ( -3.157 -3.352 1.155) 4.747 19.802 ( -1.371 -5.954 4.615) 7.657 20.018 ( -4.775 8.739 2.141) 10.186 20.142 ( -0.972 0.405 -0.050) 1.054 20.218 ( -1.365 2.784 -0.332) 3.118 20.336 ( -2.191 -1.893 -1.699) 3.358 20.427 ( -1.889 2.505 0.395) 3.162 20.637 ( -5.446 -3.724 -0.101) 6.599 22.275 ( 1.054 -0.099 -0.281) 1.095 22.292 ( 0.078 -0.730 0.073) 0.738 22.323 ( 1.247 0.751 0.152) 1.463 22.368 ( 0.764 -1.088 -0.037) 1.330 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 -25.055 0.000) 25.055 1.256 ( 0.000 25.055 0.000) 25.055 1.301 ( 0.000 -26.015 0.000) 26.015 1.301 ( 0.000 26.015 0.000) 26.015 2.047 ( 0.000 -5.837 0.000) 5.837 2.047 ( 0.000 5.837 0.000) 5.837 2.114 ( 0.000 -0.758 0.000) 0.758 2.114 ( 0.000 0.758 0.000) 0.758 2.313 ( 0.000 -3.965 0.000) 3.965 2.313 ( 0.000 3.965 0.000) 3.965 2.419 ( 0.000 -13.187 0.000) 13.187 2.419 ( 0.000 13.187 0.000) 13.187 2.570 ( 0.000 -16.038 0.000) 16.038 2.570 ( 0.000 16.038 0.000) 16.038 2.601 ( 0.000 -1.852 0.000) 1.852 2.601 ( 0.000 1.852 0.000) 1.852 2.679 ( 0.000 -15.891 0.000) 15.891 2.679 ( 0.000 15.891 0.000) 15.891 2.949 ( 0.000 -1.630 0.000) 1.630 2.949 ( 0.000 1.630 0.000) 1.630 3.013 ( 0.000 -3.999 0.000) 3.999 3.013 ( 0.000 3.999 0.000) 3.999 3.094 ( 0.000 -0.175 0.000) 0.175 3.094 ( 0.000 0.175 0.000) 0.175 3.149 ( 0.000 -1.023 0.000) 1.023 3.149 ( 0.000 1.023 0.000) 1.023 3.234 ( 0.000 -6.999 0.000) 6.999 3.234 ( 0.000 6.999 0.000) 6.999 3.289 ( 0.000 -6.027 0.000) 6.027 3.289 ( 0.000 6.027 0.000) 6.027 3.343 ( 0.000 -0.743 0.000) 0.743 3.343 ( 0.000 0.743 0.000) 0.743 3.497 ( 0.000 -3.894 0.000) 3.894 3.497 ( 0.000 3.894 0.000) 3.894 3.706 ( 0.000 -4.789 0.000) 4.789 3.706 ( 0.000 4.789 0.000) 4.789 3.738 ( 0.000 -7.599 0.000) 7.599 3.738 ( 0.000 7.599 0.000) 7.599 3.762 ( 0.000 -4.984 0.000) 4.984 3.762 ( 0.000 4.984 0.000) 4.984 3.894 ( 0.000 -1.649 0.000) 1.649 3.894 ( 0.000 1.649 0.000) 1.649 4.115 ( 0.000 -1.755 0.000) 1.755 4.115 ( 0.000 1.755 0.000) 1.755 4.262 ( 0.000 -4.284 0.000) 4.284 4.262 ( 0.000 4.284 0.000) 4.284 4.362 ( 0.000 -6.866 0.000) 6.866 4.362 ( 0.000 6.866 0.000) 6.866 4.472 ( 0.000 -6.978 0.000) 6.978 4.472 ( 0.000 6.978 0.000) 6.978 4.691 ( 0.000 -0.247 0.000) 0.247 4.691 ( 0.000 0.247 0.000) 0.247 4.936 ( 0.000 -4.347 0.000) 4.347 4.936 ( 0.000 4.347 0.000) 4.347 5.043 ( 0.000 -0.271 0.000) 0.271 5.043 ( 0.000 0.271 0.000) 0.271 5.105 ( 0.000 -3.923 0.000) 3.923 5.105 ( 0.000 3.923 0.000) 3.923 5.324 ( 0.000 -4.705 0.000) 4.705 5.324 ( 0.000 4.705 0.000) 4.705 5.363 ( 0.000 -3.090 0.000) 3.090 5.363 ( 0.000 3.090 0.000) 3.090 5.745 ( 0.000 -3.083 0.000) 3.083 5.745 ( 0.000 3.083 0.000) 3.083 5.795 ( 0.000 -2.284 0.000) 2.284 5.795 ( 0.000 2.284 0.000) 2.284 6.011 ( 0.000 -3.768 0.000) 3.768 6.011 ( 0.000 3.768 0.000) 3.768 6.148 ( 0.000 -0.331 0.000) 0.331 6.148 ( 0.000 0.331 0.000) 0.331 6.280 ( 0.000 -0.341 0.000) 0.341 6.280 ( 0.000 0.341 0.000) 0.341 6.313 ( 0.000 -5.370 0.000) 5.370 6.313 ( 0.000 5.370 0.000) 5.370 6.385 ( 0.000 -4.519 0.000) 4.519 6.385 ( 0.000 4.519 0.000) 4.519 6.502 ( 0.000 -0.538 0.000) 0.538 6.502 ( 0.000 0.538 0.000) 0.538 6.657 ( 0.000 -0.404 0.000) 0.404 6.657 ( 0.000 0.404 0.000) 0.404 6.810 ( 0.000 -1.580 0.000) 1.580 6.810 ( 0.000 1.580 0.000) 1.580 7.281 ( 0.000 -3.917 0.000) 3.917 7.281 ( 0.000 3.917 0.000) 3.917 7.307 ( 0.000 -0.271 0.000) 0.271 7.307 ( 0.000 0.271 0.000) 0.271 7.449 ( 0.000 -4.954 0.000) 4.954 7.449 ( 0.000 4.954 0.000) 4.954 7.565 ( 0.000 -4.670 0.000) 4.670 7.565 ( 0.000 4.670 0.000) 4.670 7.840 ( 0.000 -5.249 0.000) 5.249 7.840 ( 0.000 5.249 0.000) 5.249 7.922 ( 0.000 -5.416 0.000) 5.416 7.922 ( 0.000 5.416 0.000) 5.416 8.114 ( 0.000 -6.095 0.000) 6.095 8.114 ( 0.000 6.095 0.000) 6.095 8.273 ( 0.000 -0.850 0.000) 0.850 8.273 ( 0.000 0.850 0.000) 0.850 8.379 ( 0.000 -1.763 0.000) 1.763 8.379 ( 0.000 1.763 0.000) 1.763 8.523 ( 0.000 -2.794 0.000) 2.794 8.523 ( 0.000 2.794 0.000) 2.794 8.741 ( 0.000 -0.892 0.000) 0.892 8.741 ( 0.000 0.892 0.000) 0.892 8.849 ( 0.000 -0.636 0.000) 0.636 8.849 ( 0.000 0.636 0.000) 0.636 8.943 ( 0.000 -1.993 0.000) 1.993 8.943 ( 0.000 1.993 0.000) 1.993 9.134 ( 0.000 -5.195 0.000) 5.195 9.134 ( 0.000 5.195 0.000) 5.195 9.230 ( 0.000 -2.789 0.000) 2.789 9.230 ( 0.000 2.789 0.000) 2.789 9.331 ( 0.000 -2.409 0.000) 2.409 9.331 ( 0.000 2.409 0.000) 2.409 9.459 ( 0.000 -4.084 0.000) 4.084 9.459 ( 0.000 4.084 0.000) 4.084 9.570 ( 0.000 -0.340 0.000) 0.340 9.570 ( 0.000 0.340 0.000) 0.340 9.645 ( 0.000 -10.125 0.000) 10.125 9.645 ( 0.000 10.125 0.000) 10.125 9.731 ( 0.000 -2.779 0.000) 2.779 9.731 ( 0.000 2.779 0.000) 2.779 9.848 ( 0.000 -1.091 0.000) 1.091 9.848 ( 0.000 1.091 0.000) 1.091 10.281 ( 0.000 -3.020 0.000) 3.020 10.281 ( 0.000 3.020 0.000) 3.020 10.380 ( 0.000 -1.187 0.000) 1.187 10.380 ( 0.000 1.187 0.000) 1.187 10.582 ( 0.000 -0.810 0.000) 0.810 10.582 ( 0.000 0.810 0.000) 0.810 10.801 ( 0.000 -2.989 0.000) 2.989 10.801 ( 0.000 2.989 0.000) 2.989 10.918 ( 0.000 -9.644 0.000) 9.644 10.918 ( 0.000 9.644 0.000) 9.644 11.478 ( 0.000 -13.213 0.000) 13.213 11.478 ( 0.000 13.213 0.000) 13.213 12.036 ( 0.000 -3.907 0.000) 3.907 12.036 ( 0.000 3.907 0.000) 3.907 12.627 ( 0.000 -13.714 0.000) 13.714 12.627 ( 0.000 13.714 0.000) 13.714 13.316 ( 0.000 -2.132 0.000) 2.132 13.316 ( 0.000 2.132 0.000) 2.132 13.591 ( 0.000 -4.504 0.000) 4.504 13.591 ( 0.000 4.504 0.000) 4.504 13.867 ( 0.000 -1.294 0.000) 1.294 13.867 ( 0.000 1.294 0.000) 1.294 14.204 ( 0.000 -6.384 0.000) 6.384 14.204 ( 0.000 6.384 0.000) 6.384 14.311 ( 0.000 -1.741 0.000) 1.741 14.311 ( 0.000 1.741 0.000) 1.741 14.620 ( 0.000 -4.381 0.000) 4.381 14.620 ( 0.000 4.381 0.000) 4.381 16.863 ( 0.000 -6.593 0.000) 6.593 16.863 ( 0.000 6.593 0.000) 6.593 16.907 ( 0.000 -6.754 0.000) 6.754 16.907 ( 0.000 6.754 0.000) 6.754 17.756 ( 0.000 -23.519 0.000) 23.519 17.756 ( 0.000 23.519 0.000) 23.519 18.164 ( 0.000 -0.075 0.000) 0.075 18.164 ( 0.000 0.075 0.000) 0.075 18.185 ( 0.000 -0.224 0.000) 0.224 18.185 ( 0.000 0.224 0.000) 0.224 18.732 ( 0.000 -3.155 0.000) 3.155 18.732 ( 0.000 3.155 0.000) 3.155 18.854 ( 0.000 -1.595 0.000) 1.595 18.854 ( 0.000 1.595 0.000) 1.595 19.155 ( 0.000 -1.102 0.000) 1.102 19.155 ( 0.000 1.102 0.000) 1.102 19.778 ( 0.000 -5.289 0.000) 5.289 19.778 ( 0.000 5.289 0.000) 5.289 20.204 ( 0.000 -1.027 0.000) 1.027 20.204 ( 0.000 1.027 0.000) 1.027 20.552 ( 0.000 -2.955 0.000) 2.955 20.552 ( 0.000 2.955 0.000) 2.955 20.854 ( 0.000 -12.930 0.000) 12.930 20.854 ( 0.000 12.930 0.000) 12.930 22.208 ( 0.000 -0.994 0.000) 0.994 22.208 ( 0.000 0.994 0.000) 0.994 22.237 ( 0.000 -0.652 0.000) 0.652 22.237 ( 0.000 0.652 0.000) 0.652 ======================= Grid point 16 (10/54) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 6.167 -21.254 -4.005) 22.490 1.336 ( 6.167 21.254 -4.005) 22.490 1.388 ( 11.340 -22.255 2.234) 25.077 1.388 ( 11.340 22.255 2.234) 25.077 2.051 ( 2.434 -3.909 1.550) 4.859 2.051 ( 2.434 3.909 1.550) 4.859 2.171 ( 5.086 -3.295 -5.773) 8.370 2.171 ( 5.086 3.295 -5.773) 8.370 2.334 ( -0.272 -3.798 -0.367) 3.825 2.334 ( -0.272 3.798 -0.367) 3.825 2.468 ( 5.812 -5.043 -0.717) 7.728 2.468 ( 5.812 5.043 -0.717) 7.728 2.578 ( -1.696 -2.273 0.201) 2.844 2.578 ( -1.696 2.273 0.201) 2.844 2.652 ( 4.960 -2.620 7.011) 8.979 2.652 ( 4.960 2.620 7.011) 8.979 2.702 ( 1.232 -12.572 2.578) 12.892 2.702 ( 1.232 12.572 2.578) 12.892 2.862 ( -5.653 -1.599 -3.225) 6.702 2.862 ( -5.653 1.599 -3.225) 6.702 2.983 ( -2.267 -1.697 2.484) 3.766 2.983 ( -2.267 1.697 2.484) 3.766 3.050 ( -5.332 -2.303 -5.920) 8.293 3.050 ( -5.332 2.303 -5.920) 8.293 3.159 ( -2.719 -0.596 2.978) 4.076 3.159 ( -2.719 0.596 2.978) 4.076 3.256 ( 3.185 -3.118 -1.837) 4.820 3.256 ( 3.185 3.118 -1.837) 4.820 3.338 ( 9.025 -7.449 -1.261) 11.770 3.338 ( 9.025 7.449 -1.261) 11.770 3.368 ( 3.600 -2.415 0.854) 4.418 3.368 ( 3.600 2.415 0.854) 4.418 3.544 ( 3.545 -0.857 -1.174) 3.831 3.544 ( 3.545 0.857 -1.174) 3.831 3.684 ( -2.458 -4.086 3.408) 5.861 3.684 ( -2.458 4.086 3.408) 5.861 3.761 ( 2.593 -9.880 -1.614) 10.341 3.761 ( 2.593 9.880 -1.614) 10.341 3.806 ( 2.627 -4.397 2.850) 5.862 3.806 ( 2.627 4.397 2.850) 5.862 3.922 ( 2.679 -2.436 0.081) 3.622 3.922 ( 2.679 2.436 0.081) 3.622 4.085 ( -1.309 -1.415 0.255) 1.944 4.085 ( -1.309 1.415 0.255) 1.944 4.269 ( -0.060 -2.494 -0.225) 2.505 4.269 ( -0.060 2.494 -0.225) 2.505 4.385 ( 0.447 -7.846 2.363) 8.206 4.385 ( 0.447 7.846 2.363) 8.206 4.514 ( 5.321 -3.931 -0.023) 6.615 4.514 ( 5.321 3.931 -0.023) 6.615 4.704 ( 2.416 -3.354 -6.703) 7.875 4.704 ( 2.416 3.354 -6.703) 7.875 4.939 ( 0.046 -5.214 0.317) 5.224 4.939 ( 0.046 5.214 0.317) 5.224 5.027 ( -0.280 -6.325 1.684) 6.552 5.027 ( -0.280 6.325 1.684) 6.552 5.078 ( -2.542 -3.604 -0.815) 4.485 5.078 ( -2.542 3.604 -0.815) 4.485 5.298 ( -2.999 -1.591 -3.941) 5.202 5.298 ( -2.999 1.591 -3.941) 5.202 5.374 ( 1.695 -1.434 1.076) 2.467 5.374 ( 1.695 1.434 1.076) 2.467 5.699 ( -4.572 -2.797 -2.937) 6.112 5.699 ( -4.572 2.797 -2.937) 6.112 5.760 ( -5.707 -1.012 4.580) 7.387 5.760 ( -5.707 1.012 4.580) 7.387 5.985 ( -2.137 -1.167 -1.518) 2.869 5.985 ( -2.137 1.167 -1.518) 2.869 6.071 ( -7.289 -1.631 0.490) 7.485 6.071 ( -7.289 1.631 0.490) 7.485 6.213 ( -5.594 -2.870 -0.591) 6.315 6.213 ( -5.594 2.870 -0.591) 6.315 6.287 ( -0.815 -1.196 -1.633) 2.182 6.287 ( -0.815 1.196 -1.633) 2.182 6.385 ( -5.249 -0.903 1.383) 5.503 6.385 ( -5.249 0.903 1.383) 5.503 6.469 ( 1.770 -1.118 -0.528) 2.159 6.469 ( 1.770 1.118 -0.528) 2.159 6.659 ( 0.427 -2.867 0.713) 2.985 6.659 ( 0.427 2.867 0.713) 2.985 6.884 ( 3.603 -1.458 2.507) 4.625 6.884 ( 3.603 1.458 2.507) 4.625 7.199 ( -5.680 -5.040 4.514) 8.834 7.199 ( -5.680 5.040 4.514) 8.834 7.308 ( -2.105 -3.563 -4.541) 6.144 7.308 ( -2.105 3.563 -4.541) 6.144 7.502 ( 1.189 -5.272 -0.898) 5.479 7.502 ( 1.189 5.272 -0.898) 5.479 7.572 ( 5.277 -2.039 -0.157) 5.660 7.572 ( 5.277 2.039 -0.157) 5.660 7.880 ( 2.961 -3.860 1.898) 5.222 7.880 ( 2.961 3.860 1.898) 5.222 7.939 ( 0.663 -1.613 1.618) 2.379 7.939 ( 0.663 1.613 1.618) 2.379 8.157 ( 4.016 -1.887 -3.335) 5.551 8.157 ( 4.016 1.887 -3.335) 5.551 8.277 ( 1.145 -5.413 2.471) 6.059 8.277 ( 1.145 5.413 2.471) 6.059 8.357 ( -1.001 -4.282 -2.519) 5.068 8.357 ( -1.001 4.282 -2.519) 5.068 8.493 ( -2.553 -3.635 1.692) 4.753 8.493 ( -2.553 3.635 1.692) 4.753 8.762 ( 2.333 -1.110 -2.678) 3.721 8.762 ( 2.333 1.110 -2.678) 3.721 8.819 ( -0.126 -1.386 -0.810) 1.610 8.819 ( -0.126 1.386 -0.810) 1.610 9.002 ( 1.419 -1.520 1.503) 2.566 9.002 ( 1.419 1.520 1.503) 2.566 9.158 ( 1.832 -2.147 0.458) 2.859 9.158 ( 1.832 2.147 0.458) 2.859 9.272 ( 3.535 -1.515 0.724) 3.913 9.272 ( 3.535 1.515 0.724) 3.913 9.345 ( 1.674 -2.324 -0.292) 2.879 9.345 ( 1.674 2.324 -0.292) 2.879 9.420 ( -3.804 -3.251 2.057) 5.410 9.420 ( -3.804 3.251 2.057) 5.410 9.532 ( -1.764 -3.354 -2.823) 4.726 9.532 ( -1.764 3.354 -2.823) 4.726 9.650 ( 1.658 -6.539 -2.939) 7.359 9.650 ( 1.658 6.539 -2.939) 7.359 9.738 ( 1.014 -1.735 -1.208) 2.345 9.738 ( 1.014 1.735 -1.208) 2.345 9.920 ( 4.842 -4.301 3.856) 7.537 9.920 ( 4.842 4.301 3.856) 7.537 10.267 ( -2.662 -2.772 1.725) 4.212 10.267 ( -2.662 2.772 1.725) 4.212 10.336 ( -3.008 -2.396 -1.569) 4.154 10.336 ( -3.008 2.396 -1.569) 4.154 10.614 ( 2.727 -1.496 0.731) 3.195 10.614 ( 2.727 1.496 0.731) 3.195 10.803 ( 1.601 -4.166 -3.452) 5.643 10.803 ( 1.601 4.166 -3.452) 5.643 10.956 ( 2.346 -7.515 2.824) 8.364 10.956 ( 2.346 7.515 2.824) 8.364 11.490 ( 2.071 -14.716 -2.352) 15.046 11.490 ( 2.071 14.716 -2.352) 15.046 12.038 ( 0.127 -5.647 -0.437) 5.666 12.038 ( 0.127 5.647 -0.437) 5.666 12.611 ( -1.368 -13.999 0.122) 14.066 12.611 ( -1.368 13.999 0.122) 14.066 13.252 ( -6.052 -2.416 0.816) 6.567 13.252 ( -6.052 2.416 0.816) 6.567 13.615 ( 2.589 -2.947 -2.984) 4.928 13.615 ( 2.589 2.947 -2.984) 4.928 13.873 ( -1.127 -0.997 4.937) 5.161 13.873 ( -1.127 0.997 4.937) 5.161 14.214 ( 0.951 -5.334 0.231) 5.423 14.214 ( 0.951 5.334 0.231) 5.423 14.301 ( -0.138 -0.795 -1.200) 1.446 14.301 ( -0.138 0.795 -1.200) 1.446 14.630 ( 0.579 -4.494 0.864) 4.613 14.630 ( 0.579 4.494 0.864) 4.613 16.896 ( 4.160 -3.369 -0.057) 5.354 16.896 ( 4.160 3.369 -0.057) 5.354 16.988 ( 7.422 -3.723 0.356) 8.311 16.988 ( 7.422 3.723 0.356) 8.311 17.720 ( -3.530 -19.919 0.814) 20.246 17.720 ( -3.530 19.919 0.814) 20.246 18.120 ( -4.893 -5.354 0.578) 7.276 18.120 ( -4.893 5.354 0.578) 7.276 18.264 ( 7.113 -2.690 -0.840) 7.651 18.264 ( 7.113 2.690 -0.840) 7.651 18.656 ( -4.898 -2.699 -4.223) 7.008 18.656 ( -4.898 2.699 -4.223) 7.008 18.893 ( 4.818 -2.706 -3.617) 6.604 18.893 ( 4.818 2.706 -3.617) 6.604 19.148 ( -0.585 -1.335 -0.136) 1.464 19.148 ( -0.585 1.335 -0.136) 1.464 19.725 ( -6.757 -2.021 6.439) 9.550 19.725 ( -6.757 2.021 6.439) 9.550 20.198 ( -1.181 -0.586 0.879) 1.585 20.198 ( -1.181 0.586 0.879) 1.585 20.495 ( -5.260 -3.267 -1.774) 6.441 20.495 ( -5.260 3.267 -1.774) 6.441 20.794 ( -6.509 -10.905 1.008) 12.740 20.794 ( -6.509 10.905 1.008) 12.740 22.233 ( 1.969 -1.064 -0.091) 2.240 22.233 ( 1.969 1.064 -0.091) 2.240 22.254 ( 2.079 -0.848 0.043) 2.245 22.254 ( 2.079 0.848 0.043) 2.245 ======================= Grid point 18 (11/54) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 12.270 -12.257 -1.639) 17.420 1.484 ( 12.270 12.257 -1.639) 17.420 1.633 ( 11.864 -17.729 5.813) 22.110 1.633 ( 11.864 17.729 5.813) 22.110 2.081 ( -1.821 -4.178 -1.648) 4.846 2.081 ( -1.821 4.178 -1.648) 4.846 2.226 ( 4.674 -1.685 -3.821) 6.268 2.226 ( 4.674 1.685 -3.821) 6.268 2.304 ( -1.789 -3.111 -3.558) 5.054 2.304 ( -1.789 3.111 -3.558) 5.054 2.474 ( -3.288 -1.358 -3.112) 4.727 2.474 ( -3.288 1.358 -3.112) 4.727 2.520 ( -4.890 -1.026 -5.085) 7.129 2.520 ( -4.890 1.026 -5.085) 7.129 2.697 ( -3.093 -2.942 -0.778) 4.339 2.697 ( -3.093 2.942 -0.778) 4.339 2.746 ( 4.930 -1.695 -0.048) 5.213 2.746 ( 4.930 1.695 -0.048) 5.213 2.833 ( -5.737 -0.824 -4.409) 7.282 2.833 ( -5.737 0.824 -4.409) 7.282 2.912 ( 4.043 -1.696 6.823) 8.110 2.912 ( 4.043 1.696 6.823) 8.110 3.081 ( 6.079 -7.183 2.122) 9.647 3.081 ( 6.079 7.183 2.122) 9.647 3.108 ( -3.546 -3.226 3.959) 6.218 3.108 ( -3.546 3.226 3.959) 6.218 3.313 ( 3.299 -0.327 3.314) 4.688 3.313 ( 3.299 0.327 3.314) 4.688 3.440 ( 6.444 -5.068 1.075) 8.269 3.440 ( 6.444 5.068 1.075) 8.269 3.539 ( 6.633 -4.185 -0.199) 7.845 3.539 ( 6.633 4.185 -0.199) 7.845 3.609 ( 3.749 -0.629 0.936) 3.915 3.609 ( 3.749 0.629 0.936) 3.915 3.663 ( 1.750 -8.981 0.844) 9.189 3.663 ( 1.750 8.981 0.844) 9.189 3.819 ( -1.705 -4.394 -2.412) 5.294 3.819 ( -1.705 4.394 -2.412) 5.294 3.853 ( 6.952 -4.641 2.114) 8.622 3.853 ( 6.952 4.641 2.114) 8.622 3.976 ( 4.191 -2.787 1.071) 5.146 3.976 ( 4.191 2.787 1.071) 5.146 4.119 ( 2.293 -2.029 1.933) 3.621 4.119 ( 2.293 2.029 1.933) 3.621 4.285 ( 1.180 -5.410 3.109) 6.350 4.285 ( 1.180 5.410 3.109) 6.350 4.378 ( -1.545 -6.924 -1.190) 7.194 4.378 ( -1.545 6.924 -1.190) 7.194 4.610 ( 4.234 -4.954 -2.641) 7.032 4.610 ( 4.234 4.954 -2.641) 7.032 4.668 ( 1.233 -3.280 -9.627) 10.245 4.668 ( 1.233 3.280 -9.627) 10.245 4.920 ( -4.596 -2.335 0.443) 5.174 4.920 ( -4.596 2.335 0.443) 5.174 5.013 ( 0.536 -1.930 -4.359) 4.797 5.013 ( 0.536 1.930 -4.359) 4.797 5.108 ( 4.809 -6.620 2.258) 8.488 5.108 ( 4.809 6.620 2.258) 8.488 5.219 ( -3.565 -7.156 2.033) 8.250 5.219 ( -3.565 7.156 2.033) 8.250 5.393 ( -0.084 -3.813 -0.434) 3.838 5.393 ( -0.084 3.813 -0.434) 3.838 5.557 ( -7.213 -3.060 -5.056) 9.325 5.557 ( -7.213 3.060 -5.056) 9.325 5.653 ( -8.136 -2.081 4.732) 9.640 5.653 ( -8.136 2.081 4.732) 9.640 5.863 ( -7.786 -0.692 -5.077) 9.321 5.863 ( -7.786 0.692 -5.077) 9.321 5.975 ( -6.871 -3.149 5.271) 9.215 5.975 ( -6.871 3.149 5.271) 9.215 6.135 ( -4.546 -5.348 4.574) 8.378 6.135 ( -4.546 5.348 4.574) 8.378 6.253 ( -0.137 -2.838 -2.714) 3.929 6.253 ( -0.137 2.838 -2.714) 3.929 6.318 ( -0.808 -0.710 -1.316) 1.700 6.318 ( -0.808 0.710 -1.316) 1.700 6.511 ( 2.005 -2.108 0.212) 2.917 6.511 ( 2.005 2.108 0.212) 2.917 6.658 ( -2.107 -3.392 1.472) 4.256 6.658 ( -2.107 3.392 1.472) 4.256 6.922 ( 0.696 -2.476 -1.568) 3.012 6.922 ( 0.696 2.476 -1.568) 3.012 7.117 ( -6.360 -3.262 3.991) 8.187 7.117 ( -6.360 3.262 3.991) 8.187 7.264 ( 0.139 -4.479 -3.361) 5.601 7.264 ( 0.139 4.479 -3.361) 5.601 7.476 ( -1.088 -4.146 0.234) 4.293 7.476 ( -1.088 4.146 0.234) 4.293 7.694 ( 5.463 -3.173 -0.129) 6.319 7.694 ( 5.463 3.173 -0.129) 6.319 7.921 ( 0.330 -1.920 0.149) 1.954 7.921 ( 0.330 1.920 0.149) 1.954 7.982 ( 3.328 -2.127 -0.345) 3.964 7.982 ( 3.328 2.127 -0.345) 3.964 8.169 ( -0.742 -1.041 -0.991) 1.618 8.169 ( -0.742 1.041 -0.991) 1.618 8.302 ( 1.242 -3.455 -0.231) 3.679 8.302 ( 1.242 3.455 -0.231) 3.679 8.381 ( 2.659 -4.023 1.683) 5.107 8.381 ( 2.659 4.023 1.683) 5.107 8.508 ( 3.218 -2.702 2.427) 4.852 8.508 ( 3.218 2.702 2.427) 4.852 8.777 ( 1.586 -1.132 -2.121) 2.880 8.777 ( 1.586 1.132 -2.121) 2.880 8.832 ( 0.541 -1.881 0.867) 2.141 8.832 ( 0.541 1.881 0.867) 2.141 8.980 ( -2.839 -3.751 -2.269) 5.223 8.980 ( -2.839 3.751 -2.269) 5.223 9.164 ( -0.830 -1.493 -2.364) 2.917 9.164 ( -0.830 1.493 -2.364) 2.917 9.301 ( -3.498 -2.451 3.433) 5.480 9.301 ( -3.498 2.451 3.433) 5.480 9.341 ( -1.790 -1.554 3.923) 4.583 9.341 ( -1.790 1.554 3.923) 4.583 9.429 ( 3.888 -2.455 -1.303) 4.780 9.429 ( 3.888 2.455 -1.303) 4.780 9.539 ( 3.887 -4.554 -0.098) 5.988 9.539 ( 3.887 4.554 -0.098) 5.988 9.667 ( 3.195 -4.402 -6.715) 8.642 9.667 ( 3.195 4.402 -6.715) 8.642 9.757 ( 1.966 -1.586 0.760) 2.638 9.757 ( 1.966 1.586 0.760) 2.638 10.011 ( 2.020 -3.947 2.926) 5.312 10.011 ( 2.020 3.947 2.926) 5.312 10.196 ( -5.413 -4.971 0.510) 7.366 10.196 ( -5.413 4.971 0.510) 7.366 10.285 ( -1.846 -2.975 -1.170) 3.691 10.285 ( -1.846 2.975 -1.170) 3.691 10.675 ( 3.087 -2.795 0.754) 4.232 10.675 ( 3.087 2.795 0.754) 4.232 10.815 ( 1.915 -5.158 -3.079) 6.306 10.815 ( 1.915 5.158 -3.079) 6.306 11.016 ( 2.037 -4.131 2.781) 5.381 11.016 ( 2.037 4.131 2.781) 5.381 11.515 ( 2.473 -17.211 -3.214) 17.682 11.515 ( 2.473 17.211 -3.214) 17.682 12.023 ( -1.136 -10.978 -1.703) 11.167 12.023 ( -1.136 10.978 -1.703) 11.167 12.596 ( -0.914 -14.894 1.759) 15.025 12.596 ( -0.914 14.894 1.759) 15.025 13.153 ( -4.538 -2.704 0.284) 5.290 13.153 ( -4.538 2.704 0.284) 5.290 13.623 ( 0.436 -2.232 -2.765) 3.580 13.623 ( 0.436 2.232 -2.765) 3.580 13.883 ( -1.542 -2.064 5.028) 5.650 13.883 ( -1.542 2.064 5.028) 5.650 14.239 ( 1.679 -2.545 -0.331) 3.067 14.239 ( 1.679 2.545 -0.331) 3.067 14.303 ( 0.697 -0.567 -0.023) 0.898 14.303 ( 0.697 0.567 -0.023) 0.898 14.646 ( 0.559 -4.413 0.759) 4.513 14.646 ( 0.559 4.413 0.759) 4.513 17.000 ( 6.861 -6.196 -0.868) 9.286 17.000 ( 6.861 6.196 -0.868) 9.286 17.140 ( 8.193 -5.789 1.162) 10.099 17.140 ( 8.193 5.789 1.162) 10.099 17.664 ( -2.977 -12.917 0.689) 13.273 17.664 ( -2.977 12.917 0.689) 13.273 17.977 ( -10.259 -11.000 -1.527) 15.119 17.977 ( -10.259 11.000 -1.527) 15.119 18.382 ( 5.922 -3.050 -2.266) 7.036 18.382 ( 5.922 3.050 -2.266) 7.036 18.571 ( -1.108 -2.018 -2.703) 3.551 18.571 ( -1.108 2.018 -2.703) 3.551 18.975 ( 6.391 -6.665 -2.694) 9.619 18.975 ( 6.391 6.665 -2.694) 9.619 19.134 ( -1.005 -1.584 0.485) 1.938 19.134 ( -1.005 1.584 0.485) 1.938 19.662 ( -4.688 -4.192 7.467) 9.763 19.662 ( -4.688 4.192 7.467) 9.763 20.171 ( -2.460 -0.284 1.508) 2.899 20.171 ( -2.460 0.284 1.508) 2.899 20.369 ( -6.193 -3.645 -2.505) 7.611 20.369 ( -6.193 3.645 -2.505) 7.611 20.656 ( -8.745 -7.944 0.842) 11.845 20.656 ( -8.745 7.944 0.842) 11.845 22.261 ( 1.371 -0.845 -0.198) 1.623 22.261 ( 1.371 0.845 -0.198) 1.623 22.305 ( 2.797 -1.367 0.150) 3.116 22.305 ( 2.797 1.367 0.150) 3.116 ======================= Grid point 20 (12/54) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 12.312 -2.844 3.744) 13.179 1.728 ( 12.312 2.844 3.744) 13.179 1.844 ( 5.632 -7.139 2.051) 9.322 1.844 ( 5.632 7.139 2.051) 9.322 2.016 ( -1.481 -4.698 -1.247) 5.082 2.016 ( -1.480 4.698 -1.247) 5.082 2.143 ( -8.127 -1.448 -3.698) 9.046 2.143 ( -8.127 1.448 -3.698) 9.046 2.241 ( -5.266 -6.663 -2.754) 8.928 2.241 ( -5.266 6.663 -2.754) 8.928 2.400 ( 3.659 -3.203 -2.612) 5.520 2.400 ( 3.659 3.203 -2.612) 5.520 2.483 ( -0.276 -1.241 -2.144) 2.493 2.483 ( -0.276 1.241 -2.144) 2.493 2.589 ( -6.740 -0.848 -0.568) 6.816 2.589 ( -6.740 0.848 -0.568) 6.816 2.741 ( 0.361 -1.383 -1.491) 2.065 2.741 ( 0.361 1.383 -1.491) 2.065 2.851 ( 5.036 -2.220 -1.188) 5.631 2.851 ( 5.036 2.220 -1.188) 5.631 2.981 ( -1.839 -5.060 0.489) 5.406 2.981 ( -1.839 5.060 0.489) 5.406 3.039 ( -2.971 -1.735 2.944) 4.528 3.039 ( -2.971 1.735 2.944) 4.528 3.252 ( 8.928 -6.698 2.013) 11.341 3.252 ( 8.928 6.698 2.013) 11.341 3.385 ( -2.671 -4.693 2.834) 6.098 3.385 ( -2.671 4.693 2.834) 6.098 3.510 ( 4.253 -1.914 1.945) 5.053 3.510 ( 4.253 1.914 1.945) 5.053 3.598 ( 0.274 -1.824 1.295) 2.254 3.598 ( 0.274 1.824 1.295) 2.254 3.660 ( -2.331 -2.567 -1.949) 3.978 3.660 ( -2.331 2.567 -1.949) 3.978 3.738 ( 0.820 -5.207 0.512) 5.296 3.738 ( 0.820 5.207 0.512) 5.296 3.835 ( 11.758 -1.980 0.640) 11.941 3.835 ( 11.758 1.980 0.640) 11.941 4.026 ( 3.403 -3.357 3.931) 6.189 4.026 ( 3.403 3.357 3.931) 6.189 4.055 ( 2.998 -2.971 -0.432) 4.242 4.055 ( 2.998 2.971 -0.432) 4.242 4.121 ( 0.193 -3.569 0.185) 3.579 4.121 ( 0.193 3.569 0.185) 3.579 4.269 ( -5.754 -3.973 -0.860) 7.045 4.269 ( -5.754 3.973 -0.860) 7.045 4.380 ( 4.559 -2.651 -1.555) 5.498 4.380 ( 4.559 2.651 -1.555) 5.498 4.566 ( -4.020 -4.555 -3.411) 6.967 4.566 ( -4.020 4.555 -3.411) 6.967 4.726 ( 2.856 -1.737 -0.380) 3.364 4.726 ( 2.856 1.737 -0.380) 3.364 4.855 ( 4.661 -7.713 -2.037) 9.239 4.855 ( 4.661 7.713 -2.037) 9.240 5.000 ( -0.420 -3.921 -3.099) 5.015 5.000 ( -0.420 3.921 -3.099) 5.015 5.077 ( -9.360 -5.035 -0.387) 10.636 5.077 ( -9.360 5.035 -0.387) 10.636 5.236 ( 1.415 -3.615 2.565) 4.653 5.236 ( 1.415 3.615 2.565) 4.653 5.383 ( -1.191 -1.632 1.728) 2.659 5.383 ( -1.191 1.632 1.728) 2.659 5.473 ( 1.303 -3.500 -1.311) 3.958 5.473 ( 1.303 3.500 -1.311) 3.958 5.577 ( -1.142 -2.572 3.197) 4.259 5.577 ( -1.142 2.572 3.197) 4.259 5.696 ( -6.629 -2.085 -5.144) 8.646 5.696 ( -6.629 2.085 -5.144) 8.646 5.877 ( -4.965 -4.019 1.962) 6.682 5.877 ( -4.965 4.019 1.962) 6.682 6.084 ( -2.420 -2.029 1.990) 3.733 6.084 ( -2.420 2.029 1.990) 3.733 6.287 ( 2.426 -2.433 0.898) 3.551 6.287 ( 2.426 2.433 0.898) 3.551 6.311 ( 0.304 -1.324 -0.950) 1.658 6.311 ( 0.304 1.324 -0.950) 1.658 6.538 ( 0.474 -3.056 0.928) 3.228 6.538 ( 0.474 3.056 0.928) 3.228 6.608 ( -2.261 -2.394 -1.134) 3.483 6.608 ( -2.261 2.394 -1.134) 3.483 6.917 ( 0.333 -2.177 -1.664) 2.760 6.917 ( 0.333 2.177 -1.664) 2.760 7.042 ( -3.403 -3.288 2.013) 5.143 7.042 ( -3.403 3.288 2.013) 5.143 7.250 ( 0.129 -5.499 -1.487) 5.698 7.250 ( 0.129 5.499 -1.487) 5.698 7.481 ( 0.602 -1.616 0.555) 1.812 7.481 ( 0.602 1.616 0.555) 1.812 7.747 ( 0.721 -1.845 0.169) 1.988 7.747 ( 0.721 1.845 0.169) 1.988 7.923 ( 0.424 -2.093 -0.348) 2.164 7.923 ( 0.424 2.093 -0.348) 2.164 8.019 ( 0.946 -1.524 -0.368) 1.831 8.019 ( 0.946 1.524 -0.368) 1.831 8.147 ( -0.447 -0.906 -0.677) 1.216 8.147 ( -0.447 0.906 -0.677) 1.216 8.352 ( 2.401 -3.013 1.229) 4.044 8.352 ( 2.401 3.013 1.229) 4.044 8.413 ( 0.591 -1.625 -0.013) 1.729 8.413 ( 0.591 1.625 -0.013) 1.729 8.584 ( 1.820 -7.252 2.074) 7.760 8.584 ( 1.820 7.252 2.074) 7.760 8.801 ( 1.927 -1.372 -1.142) 2.627 8.801 ( 1.927 1.372 -1.142) 2.627 8.838 ( -0.630 -2.573 1.330) 2.964 8.838 ( -0.630 2.573 1.330) 2.964 8.907 ( -2.163 -3.143 -2.804) 4.735 8.907 ( -2.163 3.143 -2.804) 4.735 9.130 ( -0.722 -5.392 -1.616) 5.675 9.130 ( -0.722 5.392 -1.616) 5.675 9.239 ( -3.440 -2.383 2.345) 4.797 9.239 ( -3.440 2.383 2.345) 4.797 9.340 ( -0.594 -3.215 1.118) 3.455 9.340 ( -0.594 3.215 1.118) 3.455 9.518 ( 4.921 -1.765 1.686) 5.493 9.518 ( 4.921 1.765 1.686) 5.493 9.585 ( -0.218 -3.445 -0.153) 3.455 9.585 ( -0.218 3.445 -0.153) 3.455 9.668 ( 0.795 -0.370 -3.579) 3.685 9.668 ( 0.795 0.370 -3.579) 3.685 9.827 ( 4.256 -4.135 -0.408) 5.948 9.827 ( 4.256 4.135 -0.408) 5.948 10.027 ( -1.475 -2.403 2.031) 3.475 10.027 ( -1.475 2.403 2.031) 3.475 10.111 ( -2.671 -3.766 -1.019) 4.728 10.111 ( -2.671 3.766 -1.019) 4.728 10.251 ( -1.238 -2.241 -0.157) 2.565 10.251 ( -1.238 2.241 -0.157) 2.565 10.720 ( 1.323 -1.637 0.264) 2.121 10.720 ( 1.323 1.637 0.264) 2.121 10.827 ( 0.784 -3.693 -1.152) 3.947 10.827 ( 0.784 3.693 -1.152) 3.947 11.058 ( 0.948 -1.829 1.247) 2.408 11.058 ( 0.948 1.829 1.247) 2.408 11.534 ( 1.164 -18.128 -1.477) 18.226 11.534 ( 1.164 18.128 -1.477) 18.226 11.987 ( -1.138 -16.505 -1.153) 16.584 11.987 ( -1.138 16.505 -1.153) 16.584 12.595 ( -0.385 -15.902 1.172) 15.949 12.595 ( -0.385 15.902 1.172) 15.949 13.103 ( -1.148 -3.334 0.007) 3.526 13.103 ( -1.148 3.334 0.007) 3.526 13.610 ( -0.215 -2.499 -0.915) 2.670 13.610 ( -0.215 2.499 -0.915) 2.670 13.881 ( -0.852 -2.415 1.722) 3.086 13.881 ( -0.852 2.415 1.722) 3.086 14.263 ( 0.907 -0.734 -0.143) 1.176 14.263 ( 0.907 0.734 -0.143) 1.176 14.316 ( 0.407 -0.741 0.280) 0.891 14.316 ( 0.407 0.741 0.280) 0.891 14.657 ( 0.257 -4.343 0.263) 4.359 14.657 ( 0.257 4.343 0.263) 4.359 17.096 ( 3.290 -8.875 -0.518) 9.479 17.096 ( 3.290 8.875 -0.518) 9.479 17.282 ( 5.714 -7.987 1.334) 9.911 17.282 ( 5.714 7.987 1.334) 9.911 17.621 ( -1.732 -1.544 -1.082) 2.560 17.621 ( -1.732 1.544 -1.082) 2.560 17.791 ( -6.954 -4.351 -0.534) 8.221 17.791 ( -6.954 4.351 -0.534) 8.221 18.433 ( 1.532 -1.343 -1.472) 2.513 18.433 ( 1.532 1.343 -1.472) 2.513 18.569 ( 0.772 -2.309 -0.354) 2.460 18.569 ( 0.772 2.309 -0.354) 2.460 19.061 ( 3.279 -8.264 -1.486) 9.014 19.061 ( 3.279 8.264 -1.486) 9.014 19.128 ( 0.062 -1.288 0.978) 1.618 19.128 ( 0.062 1.288 0.978) 1.618 19.644 ( -1.561 -7.126 3.309) 8.010 19.644 ( -1.561 7.126 3.309) 8.010 20.137 ( -1.772 -1.888 0.838) 2.722 20.137 ( -1.772 1.888 0.838) 2.722 20.281 ( -1.641 -2.820 -1.384) 3.544 20.281 ( -1.641 2.820 -1.384) 3.544 20.524 ( -4.916 -5.624 0.247) 7.473 20.524 ( -4.916 5.624 0.247) 7.473 22.278 ( 0.548 -0.410 -0.093) 0.691 22.278 ( 0.548 0.410 -0.093) 0.691 22.342 ( 1.108 -1.032 0.078) 1.517 22.342 ( 1.108 1.032 0.078) 1.517 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -0.238 0.000 24.316) 24.317 0.546 ( 0.426 0.000 29.312) 29.316 0.779 ( -2.314 0.000 39.548) 39.616 1.690 ( 0.002 0.000 -19.009) 19.009 1.861 ( 0.339 0.000 -10.742) 10.748 1.987 ( 1.582 0.000 -9.556) 9.686 2.032 ( -3.154 0.000 -5.519) 6.357 2.130 ( 4.758 0.000 7.114) 8.558 2.140 ( -2.550 0.000 -1.140) 2.793 2.350 ( 3.287 0.000 5.287) 6.226 2.414 ( -2.164 0.000 10.536) 10.756 2.470 ( -2.831 0.000 -5.693) 6.358 2.528 ( 0.813 0.000 -4.446) 4.520 2.559 ( 0.515 0.000 2.062) 2.126 2.651 ( 1.258 0.000 -3.150) 3.391 2.673 ( -3.085 0.000 2.183) 3.779 2.715 ( 1.449 0.000 -2.105) 2.555 2.763 ( -2.713 0.000 -2.607) 3.763 2.827 ( -2.400 0.000 -4.208) 4.844 2.837 ( 1.958 0.000 -3.371) 3.898 2.922 ( -2.157 0.000 0.453) 2.204 2.960 ( 0.275 0.000 -0.054) 0.281 3.008 ( 0.488 0.000 -0.635) 0.801 3.091 ( -5.422 0.000 -1.609) 5.655 3.109 ( 6.240 0.000 2.138) 6.597 3.172 ( 2.771 0.000 1.219) 3.027 3.207 ( -1.034 0.000 0.248) 1.063 3.229 ( 1.441 0.000 -0.702) 1.603 3.373 ( -4.780 0.000 0.416) 4.798 3.380 ( 3.347 0.000 2.434) 4.139 3.390 ( -7.102 0.000 1.489) 7.257 3.433 ( 0.756 0.000 6.134) 6.181 3.461 ( 4.422 0.000 2.071) 4.883 3.515 ( 2.380 0.000 -3.217) 4.002 3.616 ( 1.912 0.000 -5.684) 5.997 3.646 ( -3.123 0.000 -5.476) 6.304 3.757 ( -5.164 0.000 -2.309) 5.656 3.833 ( -2.530 0.000 -4.643) 5.288 3.858 ( 3.613 0.000 1.379) 3.867 3.910 ( 2.068 0.000 -4.127) 4.616 3.913 ( 3.314 0.000 -0.179) 3.319 3.991 ( -2.904 0.000 1.067) 3.094 4.153 ( -1.190 0.000 -6.166) 6.280 4.161 ( 2.367 0.000 6.033) 6.481 4.224 ( 3.184 0.000 0.828) 3.290 4.319 ( 1.247 0.000 -1.942) 2.308 4.337 ( 2.512 0.000 7.785) 8.180 4.424 ( -3.543 0.000 -7.371) 8.178 4.458 ( -0.469 0.000 -1.214) 1.301 4.623 ( 0.202 0.000 -0.112) 0.231 4.666 ( -0.187 0.000 -1.084) 1.100 4.802 ( 1.536 0.000 -2.114) 2.613 4.945 ( 6.390 0.000 3.561) 7.315 4.953 ( -5.890 0.000 -2.097) 6.253 5.074 ( -1.894 0.000 2.388) 3.048 5.074 ( -5.986 0.000 -1.149) 6.096 5.185 ( -1.111 0.000 -0.500) 1.219 5.262 ( 0.987 0.000 4.811) 4.911 5.300 ( 11.964 0.000 9.420) 15.228 5.370 ( 4.860 0.000 7.289) 8.761 5.440 ( -1.970 0.000 -7.712) 7.960 5.501 ( -4.858 0.000 0.634) 4.900 5.734 ( 5.614 0.000 -6.298) 8.437 5.736 ( -0.266 0.000 -3.628) 3.637 5.750 ( 3.718 0.000 -0.909) 3.828 5.800 ( 0.023 0.000 3.901) 3.901 5.821 ( -4.302 0.000 2.445) 4.948 5.839 ( 1.119 0.000 -2.001) 2.292 5.886 ( -3.191 0.000 0.328) 3.208 5.977 ( -5.672 0.000 -9.837) 11.355 6.175 ( -0.811 0.000 0.806) 1.144 6.200 ( -2.425 0.000 -1.709) 2.967 6.322 ( 0.793 0.000 1.261) 1.490 6.421 ( 0.286 0.000 0.034) 0.288 6.434 ( 1.420 0.000 -1.864) 2.343 6.489 ( 1.050 0.000 2.348) 2.572 6.586 ( -3.461 0.000 6.548) 7.406 6.591 ( 1.160 0.000 7.709) 7.795 6.652 ( -3.856 0.000 -0.447) 3.882 6.675 ( -2.031 0.000 -2.701) 3.379 6.795 ( -5.567 0.000 4.300) 7.035 6.857 ( 7.820 0.000 -0.676) 7.850 7.124 ( -4.728 0.000 4.470) 6.506 7.144 ( 8.913 0.000 1.907) 9.115 7.165 ( 7.852 0.000 6.276) 10.052 7.342 ( -5.793 0.000 2.554) 6.331 7.402 ( -0.550 0.000 -2.175) 2.244 7.437 ( -2.472 0.000 -1.169) 2.734 7.560 ( -1.270 0.000 -1.933) 2.313 7.588 ( -1.039 0.000 0.269) 1.073 7.778 ( -2.337 0.000 -8.909) 9.211 7.821 ( 6.874 0.000 0.527) 6.894 7.918 ( -1.566 0.000 0.599) 1.677 7.969 ( -8.762 0.000 -8.336) 12.094 8.120 ( -1.742 0.000 2.862) 3.351 8.152 ( -1.133 0.000 0.374) 1.193 8.221 ( 2.751 0.000 1.780) 3.277 8.271 ( 2.396 0.000 0.410) 2.430 8.412 ( 1.077 0.000 -4.710) 4.832 8.487 ( 1.646 0.000 -2.550) 3.035 8.509 ( -7.599 0.000 0.935) 7.656 8.647 ( 1.826 0.000 -3.332) 3.800 8.686 ( -5.155 0.000 -2.199) 5.605 8.726 ( 8.309 0.000 -1.305) 8.411 8.778 ( 3.092 0.000 2.790) 4.165 8.840 ( -1.026 0.000 1.742) 2.022 8.890 ( -1.521 0.000 0.647) 1.653 9.047 ( 0.509 0.000 -4.883) 4.909 9.080 ( -3.030 0.000 8.083) 8.632 9.126 ( -1.340 0.000 -1.976) 2.387 9.171 ( 0.790 0.000 6.047) 6.098 9.210 ( -0.008 0.000 1.752) 1.752 9.247 ( 0.404 0.000 -0.651) 0.766 9.327 ( -1.102 0.000 -1.371) 1.759 9.414 ( -0.363 0.000 0.647) 0.741 9.443 ( -1.189 0.000 0.095) 1.193 9.481 ( 5.039 0.000 2.793) 5.761 9.560 ( -2.058 0.000 -1.025) 2.299 9.615 ( 2.389 0.000 3.911) 4.583 9.754 ( -1.578 0.000 0.375) 1.622 9.780 ( 0.682 0.000 -4.183) 4.239 9.821 ( 4.686 0.000 -7.686) 9.002 10.045 ( 2.050 0.000 6.487) 6.803 10.111 ( -0.555 0.000 2.489) 2.550 10.157 ( -2.435 0.000 -0.379) 2.464 10.286 ( 0.542 0.000 2.599) 2.655 10.362 ( -3.757 0.000 1.314) 3.981 10.398 ( 0.972 0.000 -2.172) 2.380 10.458 ( -0.263 0.000 -1.915) 1.933 10.483 ( 3.929 0.000 -1.522) 4.214 10.681 ( -3.440 0.000 4.926) 6.008 10.745 ( 1.080 0.000 1.675) 1.993 10.867 ( -0.268 0.000 -0.755) 0.801 11.145 ( 2.086 0.000 -8.238) 8.498 11.394 ( -1.601 0.000 6.321) 6.521 11.845 ( -3.476 0.000 -4.366) 5.581 11.988 ( 0.211 0.000 -6.946) 6.949 12.035 ( 4.618 0.000 -6.366) 7.864 12.299 ( -1.953 0.000 6.469) 6.758 12.549 ( 7.397 0.000 -2.773) 7.900 13.380 ( 1.343 0.000 0.891) 1.611 13.430 ( 0.003 0.000 0.101) 0.101 13.500 ( -0.992 0.000 7.353) 7.420 13.645 ( 1.473 0.000 2.754) 3.123 13.784 ( -1.697 0.000 -0.129) 1.702 13.992 ( 1.429 0.000 -7.405) 7.542 14.182 ( -1.181 0.000 4.544) 4.695 14.232 ( -1.705 0.000 3.222) 3.646 14.294 ( 0.401 0.000 0.877) 0.964 14.479 ( 1.335 0.000 -2.194) 2.569 14.696 ( -12.040 0.000 0.151) 12.041 14.716 ( 1.499 0.000 -0.078) 1.501 16.672 ( -0.125 0.000 -0.456) 0.473 16.704 ( -3.122 0.000 -1.745) 3.577 16.835 ( 0.465 0.000 2.778) 2.817 16.977 ( 0.681 0.000 -1.399) 1.556 17.179 ( 1.389 0.000 2.951) 3.262 17.389 ( -1.978 0.000 -2.390) 3.103 18.175 ( 0.490 0.000 0.396) 0.630 18.183 ( -2.211 0.000 0.436) 2.253 18.202 ( -2.377 0.000 1.343) 2.730 18.362 ( 0.341 0.000 -1.841) 1.872 18.604 ( -1.588 0.000 -1.554) 2.222 18.693 ( 1.805 0.000 -2.364) 2.974 18.757 ( 5.044 0.000 3.482) 6.129 18.792 ( -5.198 0.000 1.578) 5.432 19.174 ( -0.753 0.000 -0.213) 0.783 19.199 ( 1.506 0.000 -1.417) 2.068 19.982 ( 11.396 0.000 4.217) 12.151 20.079 ( 1.026 0.000 0.383) 1.095 20.259 ( -4.160 0.000 -1.218) 4.335 20.297 ( -1.270 0.000 -2.860) 3.129 20.399 ( 3.155 0.000 1.515) 3.500 20.563 ( -0.024 0.000 -2.229) 2.230 20.917 ( 8.236 0.000 0.329) 8.243 20.984 ( 0.813 0.000 -1.126) 1.389 22.183 ( 0.507 0.000 0.287) 0.583 22.213 ( -0.764 0.000 -0.580) 0.959 22.250 ( -3.976 0.000 0.281) 3.986 22.258 ( 0.374 0.000 0.165) 0.409 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 15.704 0.000 16.699) 22.923 0.900 ( 16.757 0.000 23.097) 28.536 1.451 ( 37.432 0.000 23.778) 44.346 1.569 ( 0.693 0.000 -17.999) 18.012 1.837 ( 6.631 0.000 -15.613) 16.963 2.015 ( 2.365 0.000 -5.954) 6.406 2.050 ( 11.923 0.000 -7.757) 14.224 2.155 ( 4.206 0.000 -2.113) 4.707 2.271 ( 3.857 0.000 6.770) 7.791 2.363 ( -3.821 0.000 2.679) 4.667 2.422 ( 2.542 0.000 1.081) 2.762 2.510 ( -2.649 0.000 -6.738) 7.240 2.515 ( 0.144 0.000 1.358) 1.366 2.553 ( -4.065 0.000 -4.271) 5.896 2.612 ( -3.922 0.000 -5.220) 6.529 2.614 ( 2.105 0.000 4.906) 5.338 2.690 ( -2.108 0.000 -0.082) 2.110 2.749 ( -0.033 0.000 5.403) 5.403 2.759 ( 1.592 0.000 -2.686) 3.123 2.874 ( 0.664 0.000 -1.163) 1.339 2.876 ( 0.570 0.000 0.802) 0.984 3.019 ( 0.353 0.000 -0.261) 0.439 3.035 ( 1.002 0.000 4.147) 4.266 3.104 ( 7.450 0.000 -3.075) 8.060 3.146 ( 1.589 0.000 -4.789) 5.045 3.190 ( -2.708 0.000 1.259) 2.987 3.209 ( -4.390 0.000 -0.192) 4.394 3.236 ( 2.268 0.000 -3.446) 4.126 3.298 ( 1.225 0.000 4.255) 4.428 3.357 ( 1.012 0.000 1.736) 2.009 3.404 ( -1.429 0.000 2.946) 3.274 3.481 ( -0.697 0.000 2.055) 2.170 3.492 ( 5.347 0.000 1.382) 5.522 3.595 ( -6.910 0.000 -4.338) 8.159 3.598 ( 6.031 0.000 -5.680) 8.285 3.640 ( 4.347 0.000 2.938) 5.247 3.734 ( -1.775 0.000 -8.196) 8.386 3.748 ( 4.211 0.000 -2.420) 4.857 3.877 ( -3.999 0.000 -1.537) 4.284 3.887 ( 3.816 0.000 -3.364) 5.087 3.952 ( -1.847 0.000 -4.869) 5.207 3.971 ( 2.308 0.000 0.586) 2.381 4.105 ( 2.949 0.000 -0.378) 2.974 4.206 ( -2.789 0.000 4.252) 5.085 4.270 ( -0.583 0.000 1.300) 1.425 4.281 ( 0.014 0.000 -1.754) 1.754 4.367 ( 0.879 0.000 -4.526) 4.610 4.423 ( -0.754 0.000 -1.750) 1.906 4.469 ( 3.358 0.000 6.654) 7.453 4.649 ( 1.330 0.000 0.262) 1.356 4.693 ( 3.999 0.000 -1.485) 4.266 4.820 ( 1.294 0.000 -2.762) 3.050 4.873 ( -0.647 0.000 5.855) 5.891 4.923 ( -8.896 0.000 2.343) 9.199 4.983 ( -2.045 0.000 -1.811) 2.731 5.099 ( 1.611 0.000 -0.022) 1.612 5.288 ( 0.454 0.000 3.771) 3.798 5.294 ( 7.325 0.000 2.543) 7.754 5.311 ( -13.537 0.000 -2.086) 13.697 5.359 ( -0.773 0.000 -6.627) 6.672 5.484 ( -0.141 0.000 8.391) 8.392 5.506 ( 0.459 0.000 7.023) 7.038 5.534 ( -12.029 0.000 -8.981) 15.012 5.616 ( -4.788 0.000 -9.513) 10.650 5.744 ( -2.370 0.000 -3.831) 4.505 5.775 ( -3.448 0.000 1.369) 3.710 5.799 ( -2.119 0.000 -3.544) 4.129 5.829 ( -3.869 0.000 7.020) 8.016 5.836 ( 0.106 0.000 3.094) 3.096 5.874 ( -2.779 0.000 3.166) 4.212 6.155 ( -0.836 0.000 -0.591) 1.023 6.164 ( -0.528 0.000 2.166) 2.229 6.358 ( 2.139 0.000 1.697) 2.731 6.409 ( -5.227 0.000 -1.155) 5.353 6.443 ( 3.658 0.000 -5.636) 6.719 6.479 ( -0.811 0.000 2.594) 2.718 6.501 ( -8.056 0.000 0.199) 8.058 6.579 ( -6.070 0.000 3.057) 6.796 6.585 ( -2.289 0.000 11.182) 11.414 6.630 ( -0.860 0.000 2.008) 2.184 6.712 ( -3.733 0.000 2.624) 4.563 6.959 ( 2.440 0.000 -0.073) 2.441 7.084 ( -3.534 0.000 5.680) 6.689 7.281 ( -1.803 0.000 5.500) 5.788 7.346 ( 4.447 0.000 5.393) 6.990 7.366 ( -1.080 0.000 -4.064) 4.205 7.381 ( -1.135 0.000 -1.654) 2.006 7.466 ( 13.316 0.000 -5.664) 14.470 7.501 ( -2.626 0.000 -1.774) 3.169 7.624 ( 4.616 0.000 -0.758) 4.678 7.698 ( 1.160 0.000 -8.816) 8.892 7.781 ( -5.363 0.000 -3.153) 6.222 7.901 ( 0.239 0.000 0.622) 0.667 7.986 ( 9.071 0.000 -0.030) 9.071 8.135 ( -1.965 0.000 2.441) 3.133 8.158 ( 1.585 0.000 4.776) 5.032 8.291 ( 3.354 0.000 -0.224) 3.362 8.295 ( -0.914 0.000 0.068) 0.916 8.372 ( 2.044 0.000 -0.179) 2.052 8.428 ( 1.616 0.000 -5.046) 5.298 8.437 ( -3.676 0.000 -4.101) 5.507 8.561 ( -9.499 0.000 2.838) 9.914 8.663 ( 2.719 0.000 -4.023) 4.856 8.769 ( -4.150 0.000 0.636) 4.198 8.791 ( 3.841 0.000 -1.420) 4.095 8.918 ( 6.698 0.000 1.014) 6.774 8.979 ( 4.718 0.000 0.148) 4.720 9.036 ( -3.897 0.000 4.082) 5.643 9.073 ( 4.455 0.000 -4.708) 6.482 9.079 ( -2.363 0.000 -2.546) 3.474 9.211 ( -2.496 0.000 3.530) 4.323 9.265 ( 3.856 0.000 -1.273) 4.061 9.278 ( 4.498 0.000 3.900) 5.954 9.353 ( 2.942 0.000 1.236) 3.191 9.422 ( -0.230 0.000 0.883) 0.912 9.438 ( 0.359 0.000 1.686) 1.724 9.497 ( -1.278 0.000 0.010) 1.278 9.569 ( 0.898 0.000 3.994) 4.094 9.695 ( 1.650 0.000 -3.503) 3.872 9.739 ( -1.186 0.000 -0.677) 1.365 9.786 ( 2.455 0.000 -1.972) 3.149 9.952 ( 3.236 0.000 -9.899) 10.415 10.033 ( -4.292 0.000 1.716) 4.622 10.121 ( -4.307 0.000 4.296) 6.083 10.129 ( 2.199 0.000 -6.991) 7.329 10.270 ( -2.320 0.000 1.982) 3.051 10.334 ( 0.467 0.000 -2.140) 2.191 10.401 ( 3.220 0.000 -0.453) 3.252 10.500 ( 3.210 0.000 -2.848) 4.291 10.529 ( 1.444 0.000 0.830) 1.665 10.676 ( 0.151 0.000 4.696) 4.699 10.774 ( 0.346 0.000 2.628) 2.651 10.882 ( 2.807 0.000 -3.041) 4.139 11.138 ( 2.670 0.000 -7.525) 7.985 11.415 ( -0.678 0.000 6.714) 6.748 11.755 ( -4.339 0.000 -3.115) 5.341 11.958 ( 1.871 0.000 -9.189) 9.377 12.098 ( 5.585 0.000 -5.805) 8.056 12.347 ( 2.853 0.000 7.193) 7.738 12.797 ( 18.146 0.000 -16.144) 24.288 13.376 ( -4.046 0.000 2.825) 4.935 13.387 ( -1.281 0.000 2.185) 2.532 13.564 ( 1.528 0.000 2.900) 3.277 13.657 ( -2.850 0.000 2.971) 4.117 13.740 ( -2.384 0.000 -0.614) 2.462 13.970 ( 1.517 0.000 -7.123) 7.283 14.197 ( -0.509 0.000 4.128) 4.159 14.214 ( -2.009 0.000 2.301) 3.054 14.288 ( -3.159 0.000 2.453) 3.999 14.461 ( -10.881 0.000 10.932) 15.424 14.490 ( 1.289 0.000 -2.040) 2.413 14.738 ( 0.570 0.000 0.694) 0.898 16.644 ( -1.928 0.000 -1.560) 2.480 16.805 ( 7.818 0.000 -6.506) 10.171 16.903 ( 5.107 0.000 1.731) 5.392 17.021 ( 5.125 0.000 -1.927) 5.475 17.304 ( 9.204 0.000 4.697) 10.334 17.381 ( 3.668 0.000 -3.473) 5.051 18.153 ( -1.871 0.000 0.374) 1.908 18.214 ( 2.801 0.000 0.075) 2.802 18.279 ( 8.888 0.000 -1.831) 9.075 18.364 ( 1.250 0.000 -0.560) 1.370 18.578 ( -0.899 0.000 -0.161) 0.914 18.708 ( -0.276 0.000 0.300) 0.407 18.744 ( 0.727 0.000 -2.863) 2.954 18.895 ( 6.551 0.000 3.745) 7.546 19.120 ( -4.225 0.000 -1.141) 4.377 19.198 ( -0.646 0.000 -0.976) 1.171 19.982 ( -9.468 0.000 -0.044) 9.468 20.006 ( -6.606 0.000 0.955) 6.674 20.211 ( -0.917 0.000 -1.029) 1.378 20.238 ( -2.874 0.000 -2.357) 3.717 20.445 ( 0.372 0.000 1.547) 1.591 20.504 ( -4.046 0.000 -2.790) 4.914 20.681 ( -23.837 0.000 14.513) 27.907 20.933 ( -5.365 0.000 -1.758) 5.646 22.211 ( 1.076 0.000 -0.797) 1.339 22.218 ( 2.812 0.000 0.636) 2.883 22.280 ( 1.495 0.000 0.470) 1.567 22.290 ( 4.441 0.000 -1.661) 4.741 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 23.988 0.000 9.726) 25.884 1.378 ( 21.261 0.000 16.123) 26.683 1.545 ( 8.323 0.000 -10.809) 13.642 1.900 ( 11.394 0.000 -17.020) 20.482 2.011 ( 1.446 0.000 -4.454) 4.683 2.148 ( 21.127 0.000 9.229) 23.055 2.175 ( -4.384 0.000 -1.222) 4.551 2.245 ( 3.418 0.000 -1.452) 3.714 2.305 ( -8.301 0.000 1.876) 8.511 2.305 ( 5.636 0.000 -3.926) 6.869 2.368 ( -6.189 0.000 -1.366) 6.338 2.401 ( 3.250 0.000 -0.806) 3.349 2.483 ( -1.588 0.000 -4.547) 4.816 2.533 ( 2.516 0.000 -3.635) 4.421 2.545 ( -0.586 0.000 -3.378) 3.428 2.674 ( -0.043 0.000 5.971) 5.971 2.702 ( -10.602 0.000 1.311) 10.683 2.737 ( 3.285 0.000 0.554) 3.332 2.813 ( -1.137 0.000 2.521) 2.766 2.848 ( 8.575 0.000 2.352) 8.892 2.918 ( 1.839 0.000 4.248) 4.629 3.040 ( 1.293 0.000 3.240) 3.488 3.114 ( -0.324 0.000 0.048) 0.328 3.137 ( 6.648 0.000 1.562) 6.829 3.142 ( 3.022 0.000 3.538) 4.653 3.180 ( -4.620 0.000 -3.036) 5.529 3.215 ( 2.015 0.000 -0.199) 2.025 3.304 ( 6.610 0.000 -2.607) 7.105 3.330 ( 6.139 0.000 3.165) 6.907 3.376 ( -4.321 0.000 0.893) 4.412 3.397 ( -2.412 0.000 5.750) 6.235 3.438 ( -5.284 0.000 -1.251) 5.430 3.556 ( 2.719 0.000 -3.767) 4.646 3.592 ( -2.392 0.000 -8.676) 9.000 3.604 ( 8.174 0.000 3.357) 8.836 3.674 ( -3.066 0.000 -1.636) 3.475 3.730 ( 5.322 0.000 4.228) 6.797 3.784 ( 9.819 0.000 -6.138) 11.580 3.863 ( -2.388 0.000 -5.553) 6.044 3.883 ( 4.318 0.000 3.098) 5.315 3.982 ( 1.672 0.000 -2.533) 3.035 4.063 ( 9.308 0.000 -5.121) 10.624 4.105 ( -6.204 0.000 -0.445) 6.220 4.198 ( 4.131 0.000 -0.200) 4.136 4.302 ( 8.278 0.000 -4.181) 9.274 4.308 ( 1.527 0.000 0.071) 1.529 4.388 ( 2.071 0.000 1.206) 2.397 4.389 ( -0.884 0.000 -2.764) 2.902 4.550 ( 1.306 0.000 8.997) 9.092 4.607 ( -8.285 0.000 -0.846) 8.328 4.756 ( -11.813 0.000 2.361) 12.047 4.760 ( 3.535 0.000 -1.222) 3.740 4.789 ( -10.949 0.000 -8.270) 13.721 4.855 ( -2.862 0.000 4.964) 5.730 4.974 ( 0.332 0.000 9.815) 9.821 5.091 ( -2.019 0.000 -4.233) 4.690 5.101 ( 2.159 0.000 -6.548) 6.895 5.284 ( -5.347 0.000 -6.738) 8.601 5.295 ( -4.877 0.000 2.553) 5.505 5.334 ( 0.857 0.000 -0.903) 1.245 5.439 ( -7.687 0.000 -1.079) 7.762 5.451 ( 4.370 0.000 0.451) 4.394 5.477 ( -0.814 0.000 -7.390) 7.435 5.560 ( 2.474 0.000 4.790) 5.391 5.673 ( -1.908 0.000 -3.032) 3.583 5.704 ( -3.950 0.000 -1.008) 4.076 5.758 ( -3.624 0.000 0.670) 3.685 5.777 ( -6.588 0.000 4.141) 7.782 5.797 ( -6.941 0.000 9.924) 12.110 5.909 ( 4.022 0.000 2.975) 5.002 6.129 ( -3.648 0.000 -0.001) 3.648 6.188 ( -2.214 0.000 4.017) 4.587 6.307 ( -2.277 0.000 -0.769) 2.403 6.337 ( -6.480 0.000 -2.590) 6.978 6.391 ( -1.083 0.000 -0.230) 1.107 6.447 ( -0.217 0.000 -0.544) 0.586 6.487 ( -0.755 0.000 2.338) 2.456 6.494 ( -2.152 0.000 1.319) 2.524 6.594 ( -2.338 0.000 3.194) 3.958 6.654 ( 0.363 0.000 4.447) 4.462 6.735 ( 3.925 0.000 0.330) 3.938 6.942 ( -3.336 0.000 -1.703) 3.746 7.064 ( -2.466 0.000 4.294) 4.952 7.218 ( -5.286 0.000 0.748) 5.339 7.319 ( -4.233 0.000 1.164) 4.390 7.322 ( -0.598 0.000 -3.277) 3.331 7.367 ( -1.059 0.000 -2.233) 2.471 7.491 ( 0.761 0.000 -1.964) 2.106 7.645 ( 4.900 0.000 -0.363) 4.913 7.686 ( 4.720 0.000 0.254) 4.727 7.757 ( 3.303 0.000 -3.334) 4.693 7.757 ( 7.016 0.000 0.370) 7.026 7.952 ( 3.539 0.000 2.111) 4.121 8.127 ( 0.620 0.000 0.337) 0.705 8.140 ( 7.244 0.000 1.065) 7.321 8.174 ( -3.074 0.000 1.826) 3.576 8.251 ( -2.176 0.000 -0.880) 2.347 8.299 ( -0.715 0.000 1.575) 1.729 8.404 ( 0.757 0.000 -0.154) 0.772 8.427 ( -4.597 0.000 -0.405) 4.615 8.428 ( 2.836 0.000 -2.851) 4.021 8.465 ( 3.654 0.000 -2.134) 4.232 8.684 ( 2.056 0.000 -4.595) 5.034 8.724 ( -0.998 0.000 2.965) 3.129 8.857 ( 2.809 0.000 -0.215) 2.817 8.954 ( -4.692 0.000 1.221) 4.848 8.964 ( 2.550 0.000 -9.806) 10.132 9.058 ( 0.944 0.000 -0.059) 0.946 9.089 ( 6.055 0.000 1.910) 6.349 9.112 ( -0.635 0.000 1.709) 1.823 9.167 ( -1.861 0.000 -0.182) 1.870 9.367 ( 0.545 0.000 -2.462) 2.522 9.379 ( 2.702 0.000 0.596) 2.767 9.386 ( 3.133 0.000 3.984) 5.068 9.405 ( 1.361 0.000 2.273) 2.649 9.496 ( 5.693 0.000 2.725) 6.311 9.554 ( 0.817 0.000 1.739) 1.921 9.585 ( 0.371 0.000 1.933) 1.968 9.674 ( -0.432 0.000 -5.332) 5.349 9.716 ( 0.908 0.000 1.608) 1.847 9.820 ( 0.643 0.000 -0.068) 0.646 9.874 ( -4.575 0.000 -1.860) 4.938 9.960 ( -4.674 0.000 3.600) 5.899 10.036 ( -4.423 0.000 -0.347) 4.437 10.113 ( 1.260 0.000 -7.260) 7.369 10.270 ( -4.823 0.000 -0.083) 4.824 10.274 ( -1.352 0.000 3.907) 4.134 10.417 ( -2.405 0.000 0.714) 2.509 10.529 ( 2.576 0.000 -2.874) 3.859 10.573 ( 3.571 0.000 -1.832) 4.013 10.752 ( 3.860 0.000 4.612) 6.014 10.780 ( -1.717 0.000 2.653) 3.160 10.911 ( 2.373 0.000 -3.332) 4.091 11.145 ( 2.960 0.000 -6.221) 6.889 11.448 ( -0.832 0.000 7.006) 7.055 11.642 ( -5.689 0.000 -1.799) 5.966 11.946 ( 3.543 0.000 -9.379) 10.026 12.128 ( 1.953 0.000 -6.129) 6.432 12.490 ( 6.684 0.000 7.319) 9.912 12.943 ( 9.461 0.000 -13.264) 16.292 13.353 ( -0.550 0.000 2.977) 3.027 13.376 ( -1.464 0.000 2.945) 3.289 13.569 ( -0.369 0.000 -3.145) 3.166 13.576 ( -6.729 0.000 0.250) 6.733 13.710 ( -1.509 0.000 2.322) 2.769 13.953 ( 0.677 0.000 -4.651) 4.700 14.182 ( -5.567 0.000 6.696) 8.708 14.198 ( -0.759 0.000 1.147) 1.376 14.252 ( -1.029 0.000 3.417) 3.569 14.428 ( -1.331 0.000 5.899) 6.047 14.497 ( 0.977 0.000 -2.327) 2.524 14.744 ( -0.144 0.000 0.005) 0.144 16.617 ( -0.734 0.000 0.637) 0.972 16.846 ( 2.017 0.000 -4.236) 4.692 17.015 ( 5.342 0.000 0.941) 5.424 17.104 ( 4.716 0.000 -2.061) 5.147 17.497 ( 11.726 0.000 -2.460) 11.982 17.531 ( 11.236 0.000 4.795) 12.216 18.116 ( -2.859 0.000 1.052) 3.047 18.221 ( -3.187 0.000 -1.095) 3.370 18.411 ( 3.208 0.000 1.636) 3.601 18.458 ( 12.187 0.000 -3.485) 12.675 18.568 ( -0.048 0.000 0.099) 0.110 18.681 ( -1.956 0.000 0.120) 1.960 18.779 ( 4.387 0.000 -4.246) 6.105 18.908 ( -7.338 0.000 1.081) 7.417 19.135 ( 7.052 0.000 0.651) 7.082 19.172 ( -1.166 0.000 -1.135) 1.627 19.819 ( -6.958 0.000 -2.014) 7.244 19.841 ( -9.833 0.000 -2.316) 10.102 20.162 ( -5.031 0.000 0.080) 5.032 20.189 ( -1.329 0.000 0.242) 1.351 20.389 ( -13.918 0.000 6.892) 15.531 20.414 ( -8.484 0.000 6.647) 10.778 20.432 ( -2.002 0.000 0.284) 2.022 20.785 ( -8.301 0.000 -3.271) 8.922 22.239 ( 2.197 0.000 -0.416) 2.236 22.276 ( 2.736 0.000 0.548) 2.790 22.306 ( 0.777 0.000 0.684) 1.035 22.345 ( 2.704 0.000 -1.325) 3.011 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 21.751 0.000 7.427) 22.984 1.714 ( 14.578 0.000 -2.842) 14.853 1.858 ( 16.973 0.000 13.180) 21.489 1.891 ( -8.989 0.000 -5.014) 10.293 2.011 ( -9.875 0.000 -1.540) 9.995 2.067 ( -13.834 0.000 0.874) 13.861 2.081 ( -3.929 0.000 0.200) 3.934 2.097 ( 12.151 0.000 -11.221) 16.539 2.265 ( -4.483 0.000 -2.818) 5.295 2.428 ( 2.070 0.000 8.177) 8.435 2.444 ( 3.707 0.000 -0.611) 3.757 2.468 ( 3.189 0.000 -1.638) 3.585 2.500 ( 2.916 0.000 -0.410) 2.945 2.539 ( 2.033 0.000 0.611) 2.123 2.549 ( 3.374 0.000 -2.445) 4.166 2.601 ( -5.416 0.000 0.252) 5.422 2.642 ( 1.387 0.000 2.995) 3.301 2.800 ( -2.325 0.000 0.640) 2.412 2.820 ( 3.745 0.000 -1.685) 4.107 2.898 ( 0.151 0.000 1.497) 1.504 2.900 ( -2.209 0.000 0.293) 2.228 3.086 ( 0.142 0.000 -2.323) 2.328 3.100 ( -2.068 0.000 -0.039) 2.068 3.158 ( -2.296 0.000 0.859) 2.451 3.171 ( -5.062 0.000 3.738) 6.293 3.242 ( -0.785 0.000 -0.342) 0.856 3.258 ( 1.025 0.000 -1.822) 2.091 3.317 ( -1.595 0.000 -1.385) 2.112 3.339 ( 1.907 0.000 2.230) 2.934 3.410 ( 5.678 0.000 0.555) 5.705 3.451 ( 1.686 0.000 5.080) 5.352 3.475 ( -2.154 0.000 -5.043) 5.484 3.595 ( 17.749 0.000 10.247) 20.495 3.645 ( 8.938 0.000 -4.486) 10.000 3.655 ( 0.051 0.000 -2.940) 2.940 3.757 ( -4.983 0.000 -6.773) 8.408 3.770 ( 4.017 0.000 4.334) 5.909 3.866 ( 6.413 0.000 0.678) 6.449 3.873 ( -17.840 0.000 -2.178) 17.972 3.922 ( 7.782 0.000 -2.790) 8.267 3.932 ( -5.321 0.000 -4.778) 7.151 3.983 ( 2.222 0.000 4.791) 5.281 4.185 ( -5.440 0.000 -1.957) 5.782 4.293 ( 1.100 0.000 3.696) 3.857 4.296 ( 3.797 0.000 -2.683) 4.650 4.323 ( -2.012 0.000 2.648) 3.326 4.366 ( 7.861 0.000 -11.845) 14.216 4.441 ( 8.287 0.000 -6.886) 10.774 4.476 ( 3.851 0.000 6.589) 7.632 4.612 ( 0.051 0.000 -3.467) 3.468 4.653 ( 2.046 0.000 8.119) 8.373 4.732 ( 0.103 0.000 0.979) 0.984 4.787 ( -2.223 0.000 -0.125) 2.227 4.807 ( -6.292 0.000 7.278) 9.620 4.849 ( -12.609 0.000 -0.787) 12.633 5.042 ( -5.387 0.000 -7.964) 9.615 5.109 ( 4.296 0.000 -2.469) 4.955 5.202 ( -4.988 0.000 1.974) 5.364 5.205 ( 0.831 0.000 -7.118) 7.166 5.312 ( -1.830 0.000 -0.242) 1.846 5.393 ( 4.283 0.000 3.611) 5.602 5.485 ( -0.197 0.000 -3.637) 3.642 5.541 ( 5.733 0.000 -0.701) 5.776 5.571 ( -1.925 0.000 -1.213) 2.275 5.614 ( -4.471 0.000 -4.240) 6.161 5.659 ( -2.333 0.000 2.685) 3.557 5.704 ( -2.417 0.000 2.810) 3.706 5.732 ( 2.153 0.000 3.561) 4.162 5.747 ( -3.562 0.000 7.430) 8.240 5.987 ( 2.071 0.000 0.220) 2.083 6.039 ( -4.159 0.000 0.450) 4.183 6.050 ( -9.064 0.000 -0.026) 9.064 6.306 ( -1.758 0.000 0.450) 1.815 6.320 ( 1.484 0.000 0.717) 1.648 6.352 ( 0.290 0.000 0.690) 0.748 6.459 ( 0.726 0.000 1.079) 1.301 6.464 ( -3.300 0.000 -0.027) 3.300 6.534 ( 1.956 0.000 9.303) 9.507 6.554 ( -1.439 0.000 -1.107) 1.815 6.681 ( -0.457 0.000 2.040) 2.091 6.800 ( 4.003 0.000 -4.547) 6.058 6.859 ( -2.644 0.000 -2.105) 3.380 7.031 ( -3.716 0.000 1.738) 4.103 7.137 ( -3.488 0.000 -0.509) 3.525 7.272 ( -0.808 0.000 1.400) 1.617 7.316 ( 1.368 0.000 -1.222) 1.835 7.358 ( 0.401 0.000 1.388) 1.445 7.495 ( 1.408 0.000 -2.073) 2.506 7.657 ( -0.669 0.000 -0.424) 0.792 7.747 ( 0.108 0.000 -1.289) 1.293 7.820 ( 4.909 0.000 -2.174) 5.369 7.857 ( 1.430 0.000 2.600) 2.967 8.015 ( 2.316 0.000 2.638) 3.510 8.107 ( -3.494 0.000 0.126) 3.497 8.143 ( 0.617 0.000 0.762) 0.980 8.236 ( 1.307 0.000 1.232) 1.797 8.260 ( 3.703 0.000 0.483) 3.734 8.349 ( 1.361 0.000 0.326) 1.400 8.364 ( -1.390 0.000 2.158) 2.566 8.430 ( 1.152 0.000 1.657) 2.018 8.440 ( 1.327 0.000 -3.431) 3.679 8.488 ( 0.578 0.000 -1.433) 1.546 8.682 ( 0.864 0.000 0.005) 0.864 8.743 ( -0.303 0.000 0.910) 0.959 8.864 ( -0.784 0.000 -2.598) 2.714 8.926 ( 1.261 0.000 -10.247) 10.324 8.931 ( 1.361 0.000 0.129) 1.367 9.085 ( -1.505 0.000 -1.676) 2.252 9.087 ( 0.220 0.000 5.500) 5.505 9.151 ( -0.402 0.000 0.054) 0.405 9.209 ( 4.847 0.000 -0.311) 4.857 9.320 ( -1.464 0.000 -4.203) 4.451 9.368 ( -0.806 0.000 -2.034) 2.188 9.420 ( -3.749 0.000 2.008) 4.253 9.462 ( -0.005 0.000 1.627) 1.627 9.527 ( 0.567 0.000 -0.378) 0.682 9.550 ( -1.351 0.000 1.469) 1.996 9.648 ( 3.941 0.000 -4.778) 6.194 9.727 ( 9.670 0.000 5.191) 10.975 9.777 ( -5.465 0.000 3.271) 6.369 9.799 ( -4.148 0.000 2.399) 4.791 9.803 ( 3.945 0.000 3.433) 5.230 9.924 ( -2.155 0.000 3.220) 3.875 9.995 ( 0.561 0.000 -1.595) 1.691 10.103 ( 2.551 0.000 -5.216) 5.806 10.187 ( -3.879 0.000 0.486) 3.910 10.250 ( -3.641 0.000 3.109) 4.788 10.373 ( -2.602 0.000 2.348) 3.505 10.567 ( 3.331 0.000 -2.164) 3.973 10.614 ( 2.483 0.000 -3.479) 4.274 10.750 ( -3.029 0.000 2.414) 3.873 10.818 ( 0.155 0.000 2.282) 2.287 10.921 ( 0.858 0.000 -3.159) 3.273 11.163 ( 2.989 0.000 -5.241) 6.034 11.462 ( -2.586 0.000 6.564) 7.055 11.580 ( -0.001 0.000 2.698) 2.698 11.960 ( 4.056 0.000 -8.537) 9.452 12.104 ( 0.629 0.000 -7.623) 7.649 12.626 ( 2.005 0.000 7.286) 7.557 13.016 ( 6.354 0.000 -5.968) 8.718 13.352 ( -3.742 0.000 -1.165) 3.919 13.370 ( 0.907 0.000 -1.141) 1.457 13.475 ( -2.318 0.000 1.740) 2.898 13.545 ( 0.945 0.000 -4.023) 4.132 13.706 ( -0.995 0.000 3.488) 3.627 13.939 ( 0.740 0.000 -3.468) 3.546 14.123 ( -5.677 0.000 8.070) 9.867 14.199 ( 0.068 0.000 0.644) 0.648 14.260 ( -0.494 0.000 1.694) 1.764 14.442 ( -1.177 0.000 4.168) 4.331 14.497 ( 0.749 0.000 -2.613) 2.719 14.735 ( -0.378 0.000 -1.255) 1.310 16.623 ( 0.083 0.000 2.944) 2.945 16.856 ( 1.848 0.000 -2.445) 3.064 17.083 ( 1.599 0.000 0.467) 1.666 17.158 ( 2.408 0.000 -1.115) 2.653 17.712 ( 3.995 0.000 3.593) 5.373 17.758 ( 16.863 0.000 -0.908) 16.888 18.069 ( -2.503 0.000 1.479) 2.907 18.077 ( -11.290 0.000 0.157) 11.291 18.459 ( 0.304 0.000 0.565) 0.642 18.578 ( 0.719 0.000 0.355) 0.801 18.630 ( 4.778 0.000 -5.545) 7.320 18.670 ( 4.989 0.000 -0.300) 4.998 18.804 ( -3.613 0.000 2.492) 4.389 18.827 ( 2.797 0.000 -0.696) 2.882 19.151 ( -0.147 0.000 -1.260) 1.269 19.240 ( 2.616 0.000 -0.913) 2.771 19.667 ( -5.205 0.000 -6.744) 8.519 19.717 ( -2.162 0.000 -4.127) 4.659 20.044 ( -9.621 0.000 4.624) 10.675 20.169 ( -0.783 0.000 0.137) 0.795 20.230 ( -6.854 0.000 6.640) 9.543 20.364 ( -1.170 0.000 3.036) 3.254 20.399 ( -1.062 0.000 -0.810) 1.335 20.643 ( -3.406 0.000 -3.651) 4.993 22.275 ( 1.637 0.000 0.154) 1.644 22.311 ( 0.785 0.000 0.039) 0.786 22.314 ( -0.312 0.000 0.731) 0.795 22.372 ( 1.131 0.000 -0.947) 1.475 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -24.400 0.000 2.588) 24.537 1.539 ( -25.649 0.000 -1.084) 25.672 1.880 ( -6.525 0.000 3.340) 7.330 2.039 ( -0.853 0.000 -1.614) 1.826 2.062 ( 8.995 0.000 1.799) 9.173 2.076 ( 18.117 0.000 3.048) 18.372 2.218 ( 8.022 0.000 -2.366) 8.364 2.252 ( 3.961 0.000 -3.911) 5.566 2.278 ( 10.892 0.000 5.865) 12.371 2.411 ( -3.962 0.000 1.559) 4.258 2.468 ( -1.334 0.000 0.227) 1.353 2.477 ( 0.032 0.000 -1.323) 1.323 2.528 ( 5.697 0.000 0.265) 5.703 2.543 ( 0.612 0.000 -0.447) 0.758 2.577 ( -2.987 0.000 3.469) 4.578 2.654 ( 0.360 0.000 3.422) 3.441 2.667 ( 1.841 0.000 0.192) 1.851 2.762 ( -3.652 0.000 -4.660) 5.920 2.790 ( 0.676 0.000 0.547) 0.869 2.893 ( 0.211 0.000 -1.126) 1.146 2.928 ( -8.995 0.000 4.242) 9.946 3.031 ( -4.927 0.000 -7.848) 9.267 3.032 ( -1.949 0.000 -0.723) 2.079 3.124 ( -0.284 0.000 -1.996) 2.016 3.147 ( -2.430 0.000 9.299) 9.611 3.212 ( -4.369 0.000 0.116) 4.371 3.233 ( -4.800 0.000 0.351) 4.813 3.275 ( -11.153 0.000 0.546) 11.166 3.334 ( 5.150 0.000 2.128) 5.572 3.363 ( -1.907 0.000 -4.900) 5.258 3.402 ( 2.401 0.000 0.051) 2.402 3.536 ( -0.825 0.000 -3.298) 3.400 3.572 ( -2.815 0.000 -2.729) 3.921 3.600 ( -2.532 0.000 7.928) 8.323 3.645 ( 1.384 0.000 -0.813) 1.605 3.719 ( -7.210 0.000 -1.639) 7.394 3.749 ( 3.761 0.000 -3.441) 5.097 3.835 ( 1.589 0.000 -5.831) 6.043 3.903 ( 4.259 0.000 -1.040) 4.384 3.926 ( -0.143 0.000 -2.838) 2.841 4.006 ( 2.728 0.000 0.046) 2.728 4.057 ( 4.134 0.000 4.506) 6.115 4.227 ( -14.122 0.000 10.021) 17.316 4.258 ( 7.011 0.000 1.642) 7.201 4.310 ( 1.341 0.000 -2.179) 2.558 4.355 ( -12.489 0.000 -6.900) 14.268 4.364 ( -0.837 0.000 -4.160) 4.243 4.455 ( 7.020 0.000 -8.835) 11.284 4.589 ( -8.809 0.000 -1.102) 8.878 4.610 ( 3.498 0.000 5.953) 6.905 4.720 ( 5.946 0.000 -10.572) 12.129 4.725 ( -1.088 0.000 8.154) 8.226 4.777 ( 13.621 0.000 8.798) 16.216 4.789 ( -3.007 0.000 -0.547) 3.056 4.825 ( 5.015 0.000 6.073) 7.876 4.963 ( 6.606 0.000 -6.268) 9.106 5.144 ( -0.814 0.000 0.202) 0.839 5.175 ( -1.200 0.000 4.793) 4.941 5.217 ( 5.732 0.000 -5.823) 8.171 5.318 ( 2.739 0.000 -1.268) 3.018 5.412 ( -2.196 0.000 -5.292) 5.729 5.452 ( -2.468 0.000 2.018) 3.188 5.540 ( -1.450 0.000 -0.544) 1.549 5.544 ( 1.070 0.000 0.259) 1.101 5.607 ( 2.290 0.000 -1.893) 2.971 5.621 ( -2.084 0.000 -1.408) 2.515 5.675 ( -3.118 0.000 0.282) 3.131 5.785 ( 2.652 0.000 4.138) 4.915 5.821 ( 3.524 0.000 6.058) 7.009 5.979 ( -2.479 0.000 0.138) 2.483 6.004 ( 4.493 0.000 1.471) 4.728 6.024 ( 3.265 0.000 -2.442) 4.077 6.290 ( -0.191 0.000 3.186) 3.192 6.318 ( -2.455 0.000 0.884) 2.609 6.373 ( 0.785 0.000 -1.025) 1.291 6.387 ( -2.972 0.000 -3.075) 4.277 6.470 ( -0.180 0.000 2.006) 2.014 6.553 ( 0.962 0.000 0.690) 1.184 6.651 ( -2.989 0.000 1.175) 3.211 6.662 ( 3.670 0.000 12.588) 13.112 6.817 ( 2.323 0.000 -7.038) 7.412 6.860 ( 4.051 0.000 -3.467) 5.332 6.956 ( -5.887 0.000 3.077) 6.643 7.077 ( -2.629 0.000 -2.884) 3.902 7.290 ( 0.719 0.000 1.530) 1.691 7.345 ( 2.341 0.000 -0.344) 2.366 7.412 ( 3.622 0.000 3.925) 5.340 7.507 ( -0.026 0.000 0.448) 0.448 7.629 ( -0.939 0.000 -2.530) 2.699 7.730 ( -1.593 0.000 0.628) 1.712 7.842 ( -0.302 0.000 -4.422) 4.432 7.865 ( 0.442 0.000 -1.366) 1.436 8.053 ( -0.327 0.000 2.583) 2.604 8.097 ( 0.452 0.000 5.203) 5.223 8.168 ( 1.162 0.000 1.130) 1.621 8.255 ( -5.843 0.000 -1.459) 6.023 8.256 ( 0.219 0.000 1.076) 1.098 8.303 ( -0.117 0.000 3.268) 3.270 8.411 ( 0.525 0.000 1.167) 1.280 8.442 ( 1.278 0.000 -4.113) 4.307 8.461 ( 1.013 0.000 1.717) 1.993 8.477 ( -1.252 0.000 -0.059) 1.253 8.686 ( -5.177 0.000 -2.708) 5.842 8.757 ( 5.091 0.000 3.402) 6.123 8.819 ( -2.168 0.000 -5.112) 5.553 8.908 ( 3.157 0.000 -6.872) 7.562 8.945 ( 1.153 0.000 -2.613) 2.856 9.032 ( -2.354 0.000 -4.488) 5.068 9.123 ( -2.930 0.000 8.414) 8.910 9.166 ( 2.787 0.000 -0.196) 2.794 9.212 ( -0.489 0.000 0.683) 0.840 9.326 ( 2.383 0.000 -2.005) 3.114 9.329 ( -1.188 0.000 -4.685) 4.833 9.366 ( -2.405 0.000 0.729) 2.513 9.413 ( -2.826 0.000 -0.168) 2.831 9.487 ( -3.598 0.000 -0.993) 3.732 9.599 ( 0.764 0.000 3.889) 3.963 9.686 ( -3.906 0.000 3.034) 4.946 9.700 ( -2.038 0.000 1.491) 2.525 9.757 ( 1.130 0.000 -1.123) 1.593 9.835 ( -1.673 0.000 0.710) 1.817 9.928 ( 7.078 0.000 7.139) 10.053 9.950 ( 0.046 0.000 4.564) 4.564 10.019 ( 4.538 0.000 -0.367) 4.553 10.137 ( 2.686 0.000 -0.180) 2.692 10.166 ( 3.870 0.000 -4.598) 6.010 10.194 ( -3.863 0.000 1.427) 4.118 10.363 ( -0.398 0.000 2.425) 2.458 10.606 ( 0.360 0.000 -7.633) 7.642 10.617 ( 3.129 0.000 -0.926) 3.264 10.714 ( -2.289 0.000 1.815) 2.922 10.792 ( -4.060 0.000 4.043) 5.730 10.920 ( 1.772 0.000 -3.136) 3.602 11.181 ( 2.537 0.000 -5.375) 5.944 11.439 ( -4.213 0.000 6.237) 7.527 11.676 ( 5.962 0.000 6.299) 8.673 11.979 ( 3.673 0.000 -7.824) 8.643 12.064 ( 1.285 0.000 -9.870) 9.953 12.630 ( -6.913 0.000 7.342) 10.085 13.110 ( 6.571 0.000 -1.405) 6.720 13.260 ( -2.198 0.000 -3.678) 4.284 13.352 ( -0.177 0.000 -7.386) 7.388 13.507 ( 2.467 0.000 1.936) 3.136 13.555 ( 1.973 0.000 -2.240) 2.985 13.723 ( 0.342 0.000 3.680) 3.696 13.943 ( 2.312 0.000 -3.411) 4.121 14.090 ( -4.096 0.000 10.199) 10.990 14.207 ( 0.157 0.000 1.169) 1.180 14.249 ( -1.693 0.000 1.075) 2.006 14.434 ( -2.725 0.000 4.601) 5.348 14.491 ( 0.556 0.000 -2.815) 2.869 14.716 ( -0.436 0.000 -2.236) 2.279 16.654 ( 0.800 0.000 3.963) 4.043 16.887 ( 3.053 0.000 -1.819) 3.554 17.079 ( -2.364 0.000 0.364) 2.391 17.177 ( 0.411 0.000 -1.271) 1.335 17.674 ( -9.452 0.000 2.530) 9.784 17.811 ( -12.691 0.000 1.269) 12.754 18.080 ( 2.525 0.000 1.195) 2.794 18.089 ( 13.390 0.000 1.068) 13.432 18.419 ( -4.207 0.000 -1.268) 4.394 18.592 ( 0.391 0.000 1.297) 1.355 18.628 ( 0.516 0.000 -2.104) 2.167 18.724 ( 1.429 0.000 -7.724) 7.855 18.811 ( 1.791 0.000 2.034) 2.710 18.902 ( 1.729 0.000 9.331) 9.490 19.147 ( 0.654 0.000 -2.095) 2.195 19.194 ( -5.241 0.000 -3.116) 6.097 19.572 ( 0.041 0.000 -13.562) 13.562 19.695 ( 3.024 0.000 -4.196) 5.172 19.934 ( -4.198 0.000 7.629) 8.707 20.178 ( 1.773 0.000 0.355) 1.808 20.216 ( 0.288 0.000 5.230) 5.238 20.383 ( 0.022 0.000 -1.601) 1.601 20.404 ( 3.109 0.000 2.908) 4.257 20.651 ( 6.307 0.000 -3.049) 7.005 22.290 ( -0.523 0.000 0.830) 0.981 22.302 ( -1.656 0.000 -0.459) 1.719 22.309 ( -0.586 0.000 0.461) 0.746 22.376 ( 0.143 0.000 -0.753) 0.766 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -28.129 0.000 4.015) 28.414 1.053 ( -28.320 0.000 3.276) 28.509 1.830 ( 1.168 0.000 -5.348) 5.474 1.911 ( -23.206 0.000 5.257) 23.794 2.090 ( -0.386 0.000 0.543) 0.667 2.113 ( -23.193 0.000 -0.652) 23.202 2.168 ( -9.394 0.000 -4.239) 10.306 2.256 ( -7.790 0.000 -2.173) 8.088 2.355 ( 7.047 0.000 -2.128) 7.361 2.394 ( -3.650 0.000 1.784) 4.063 2.437 ( -1.981 0.000 2.535) 3.217 2.520 ( 6.047 0.000 -2.144) 6.416 2.522 ( 1.126 0.000 0.669) 1.309 2.526 ( 5.824 0.000 -3.475) 6.782 2.645 ( -2.463 0.000 -2.575) 3.563 2.659 ( 2.387 0.000 5.149) 5.675 2.692 ( -1.997 0.000 -3.508) 4.036 2.705 ( 1.598 0.000 3.796) 4.118 2.780 ( 5.857 0.000 0.685) 5.897 2.830 ( 5.084 0.000 1.629) 5.339 2.886 ( 0.663 0.000 -1.836) 1.952 2.999 ( 1.367 0.000 0.047) 1.368 3.057 ( 1.364 0.000 -1.161) 1.791 3.097 ( -1.928 0.000 -0.750) 2.069 3.122 ( -6.973 0.000 5.320) 8.771 3.164 ( -1.230 0.000 0.456) 1.312 3.225 ( 4.819 0.000 1.664) 5.098 3.287 ( -0.170 0.000 1.993) 2.000 3.314 ( -0.638 0.000 1.321) 1.467 3.380 ( -2.118 0.000 -2.263) 3.099 3.455 ( -1.319 0.000 -4.938) 5.111 3.466 ( 3.467 0.000 -2.926) 4.536 3.502 ( -2.799 0.000 4.299) 5.130 3.537 ( -4.171 0.000 0.340) 4.185 3.690 ( -6.478 0.000 1.082) 6.568 3.737 ( 3.952 0.000 3.926) 5.571 3.761 ( 0.362 0.000 -1.327) 1.376 3.827 ( 2.897 0.000 -1.999) 3.520 3.844 ( -4.542 0.000 -1.579) 4.809 3.936 ( -6.750 0.000 -1.747) 6.972 3.959 ( 4.635 0.000 -5.181) 6.952 4.041 ( -0.260 0.000 -0.955) 0.990 4.163 ( 3.230 0.000 2.258) 3.941 4.185 ( -7.429 0.000 -3.298) 8.128 4.221 ( -4.848 0.000 6.218) 7.885 4.268 ( -3.181 0.000 -3.897) 5.031 4.407 ( -6.956 0.000 -6.703) 9.660 4.465 ( 10.187 0.000 -5.782) 11.713 4.538 ( 4.402 0.000 -5.862) 7.330 4.654 ( -1.373 0.000 1.751) 2.225 4.671 ( -0.013 0.000 2.281) 2.282 4.737 ( -3.570 0.000 9.202) 9.870 4.761 ( -0.330 0.000 -1.332) 1.372 4.873 ( -2.354 0.000 6.404) 6.823 5.046 ( 5.717 0.000 2.619) 6.289 5.117 ( 0.690 0.000 -1.231) 1.412 5.151 ( 0.926 0.000 -1.008) 1.369 5.171 ( 6.219 0.000 -6.491) 8.989 5.350 ( -0.530 0.000 -3.423) 3.464 5.365 ( 4.531 0.000 -1.363) 4.731 5.412 ( 7.503 0.000 8.076) 11.023 5.439 ( 4.945 0.000 1.536) 5.179 5.510 ( 1.544 0.000 -3.932) 4.224 5.584 ( 1.580 0.000 -3.915) 4.222 5.588 ( -0.292 0.000 0.989) 1.031 5.628 ( 1.052 0.000 -0.542) 1.183 5.651 ( 4.271 0.000 -1.049) 4.398 5.851 ( 2.191 0.000 0.689) 2.296 5.901 ( -2.859 0.000 4.851) 5.631 5.972 ( 5.415 0.000 6.543) 8.493 6.089 ( 4.610 0.000 -7.403) 8.721 6.140 ( 6.280 0.000 1.811) 6.536 6.279 ( -2.600 0.000 3.096) 4.043 6.315 ( -1.253 0.000 1.906) 2.281 6.347 ( 1.586 0.000 -1.066) 1.911 6.366 ( 0.777 0.000 1.678) 1.849 6.510 ( 2.655 0.000 3.248) 4.195 6.571 ( 0.618 0.000 0.236) 0.662 6.614 ( -2.130 0.000 0.998) 2.352 6.767 ( -1.215 0.000 4.883) 5.032 6.816 ( 2.299 0.000 -5.977) 6.404 6.893 ( -3.427 0.000 12.574) 13.033 6.927 ( 3.681 0.000 -2.349) 4.367 6.991 ( -1.813 0.000 -7.579) 7.792 7.301 ( -0.509 0.000 -0.564) 0.760 7.397 ( 3.525 0.000 -0.577) 3.572 7.470 ( -2.357 0.000 1.975) 3.075 7.519 ( 2.210 0.000 4.533) 5.043 7.578 ( -3.256 0.000 -3.715) 4.939 7.714 ( -0.258 0.000 1.534) 1.556 7.776 ( -3.030 0.000 -3.560) 4.675 7.873 ( 2.324 0.000 -4.875) 5.400 8.031 ( -5.149 0.000 4.467) 6.817 8.116 ( -4.082 0.000 6.562) 7.728 8.168 ( -1.603 0.000 -0.812) 1.797 8.230 ( 5.655 0.000 -2.046) 6.014 8.254 ( -2.325 0.000 2.317) 3.282 8.313 ( -1.613 0.000 3.920) 4.238 8.416 ( 0.422 0.000 0.768) 0.876 8.432 ( -4.300 0.000 -0.559) 4.336 8.439 ( 2.317 0.000 -4.783) 5.315 8.490 ( 1.877 0.000 -0.264) 1.895 8.573 ( -2.821 0.000 -3.225) 4.285 8.725 ( -3.136 0.000 -5.709) 6.514 8.840 ( 1.394 0.000 -0.357) 1.439 8.940 ( 3.390 0.000 -6.894) 7.682 8.956 ( 1.106 0.000 1.475) 1.844 8.966 ( -0.973 0.000 -1.155) 1.510 9.082 ( -4.513 0.000 3.671) 5.817 9.240 ( 3.554 0.000 0.764) 3.635 9.246 ( -0.870 0.000 4.515) 4.598 9.282 ( 0.971 0.000 -4.905) 5.001 9.290 ( -4.113 0.000 1.716) 4.456 9.327 ( -3.080 0.000 0.664) 3.151 9.418 ( 0.359 0.000 1.619) 1.658 9.437 ( -1.347 0.000 -1.260) 1.844 9.558 ( -2.593 0.000 2.182) 3.389 9.598 ( -6.237 0.000 3.144) 6.984 9.730 ( 1.120 0.000 -0.037) 1.121 9.748 ( -1.534 0.000 -1.770) 2.342 9.814 ( -0.100 0.000 1.164) 1.168 9.968 ( 0.665 0.000 0.865) 1.091 10.068 ( 4.796 0.000 3.127) 5.725 10.108 ( -1.268 0.000 3.241) 3.480 10.166 ( 4.358 0.000 1.280) 4.542 10.197 ( 3.662 0.000 -1.546) 3.975 10.244 ( 6.606 0.000 -3.198) 7.340 10.383 ( 1.617 0.000 0.197) 1.629 10.540 ( -0.865 0.000 -10.716) 10.751 10.662 ( 0.226 0.000 3.249) 3.256 10.681 ( -1.065 0.000 -1.996) 2.262 10.760 ( -3.309 0.000 6.276) 7.095 10.932 ( 1.223 0.000 -3.383) 3.598 11.182 ( 1.786 0.000 -6.694) 6.928 11.405 ( -3.780 0.000 6.658) 7.656 11.824 ( 4.995 0.000 6.126) 7.904 11.989 ( 3.061 0.000 -8.172) 8.727 12.031 ( 2.557 0.000 -11.090) 11.381 12.491 ( -12.020 0.000 6.950) 13.885 13.225 ( 6.591 0.000 -0.933) 6.657 13.255 ( -3.110 0.000 -16.701) 16.988 13.256 ( 3.349 0.000 -2.062) 3.933 13.558 ( 2.319 0.000 0.117) 2.322 13.569 ( 0.407 0.000 -1.516) 1.570 13.760 ( 1.096 0.000 3.263) 3.442 13.975 ( 3.468 0.000 -4.009) 5.301 14.129 ( 0.338 0.000 15.062) 15.065 14.219 ( -1.975 0.000 1.138) 2.279 14.219 ( -0.072 0.000 2.329) 2.330 14.414 ( -3.257 0.000 8.798) 9.381 14.481 ( 0.414 0.000 -2.920) 2.949 14.696 ( 0.106 0.000 -2.465) 2.468 16.698 ( 1.166 0.000 3.531) 3.719 16.935 ( 3.611 0.000 -3.108) 4.765 17.003 ( -6.315 0.000 0.582) 6.341 17.147 ( -2.257 0.000 -4.213) 4.780 17.482 ( -11.572 0.000 1.714) 11.699 17.607 ( -10.443 0.000 2.613) 10.765 18.142 ( 2.868 0.000 1.432) 3.206 18.278 ( 5.597 0.000 1.705) 5.851 18.311 ( -5.054 0.000 -2.856) 5.805 18.613 ( 0.603 0.000 2.378) 2.453 18.621 ( -1.110 0.000 -1.362) 1.758 18.685 ( 1.240 0.000 -8.543) 8.632 18.818 ( -2.518 0.000 -4.754) 5.380 18.963 ( -2.607 0.000 13.823) 14.066 19.112 ( -0.071 0.000 0.231) 0.241 19.159 ( 2.549 0.000 -2.571) 3.620 19.419 ( -6.452 0.000 -14.556) 15.921 19.783 ( 8.882 0.000 -1.957) 9.095 20.040 ( 8.271 0.000 9.961) 12.947 20.231 ( 3.167 0.000 1.647) 3.569 20.281 ( 2.926 0.000 4.280) 5.184 20.378 ( 0.569 0.000 -2.419) 2.485 20.495 ( 4.464 0.000 2.388) 5.062 20.788 ( 9.525 0.000 -2.686) 9.897 22.253 ( -3.047 0.000 -0.638) 3.113 22.273 ( -1.918 0.000 1.289) 2.311 22.293 ( -1.323 0.000 -0.167) 1.333 22.372 ( -0.048 0.000 -0.609) 0.611 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -27.027 0.000 7.154) 27.958 0.627 ( -23.660 0.000 16.380) 28.777 1.189 ( -48.907 0.000 21.527) 53.435 1.798 ( 2.106 0.000 -18.460) 18.580 1.949 ( -4.955 0.000 -1.550) 5.192 2.056 ( 0.448 0.000 -4.553) 4.575 2.056 ( -5.653 0.000 3.200) 6.496 2.186 ( 2.633 0.000 -2.115) 3.377 2.223 ( -9.050 0.000 -6.754) 11.293 2.307 ( -6.842 0.000 1.436) 6.991 2.417 ( -1.188 0.000 2.695) 2.945 2.543 ( 0.194 0.000 0.643) 0.672 2.546 ( 2.260 0.000 -6.238) 6.635 2.594 ( -1.815 0.000 -3.739) 4.156 2.620 ( 1.595 0.000 -0.844) 1.805 2.687 ( 2.684 0.000 -1.748) 3.203 2.702 ( -0.660 0.000 1.915) 2.026 2.761 ( 2.682 0.000 3.051) 4.062 2.871 ( 1.145 0.000 -1.028) 1.539 2.873 ( -1.980 0.000 -5.177) 5.543 2.908 ( -0.692 0.000 1.158) 1.349 3.005 ( -2.487 0.000 0.846) 2.627 3.053 ( 0.436 0.000 -1.156) 1.235 3.065 ( -2.990 0.000 2.521) 3.911 3.084 ( 6.267 0.000 1.066) 6.357 3.173 ( -2.091 0.000 -3.517) 4.092 3.247 ( -1.845 0.000 0.015) 1.845 3.286 ( -3.782 0.000 3.381) 5.073 3.318 ( -3.565 0.000 -0.413) 3.589 3.323 ( 3.635 0.000 1.700) 4.013 3.406 ( -1.059 0.000 -2.487) 2.703 3.415 ( -1.717 0.000 0.395) 1.762 3.500 ( -1.414 0.000 -1.173) 1.838 3.501 ( -0.912 0.000 -0.766) 1.192 3.633 ( 5.059 0.000 11.512) 12.574 3.744 ( -2.539 0.000 -2.597) 3.632 3.763 ( -2.905 0.000 -6.713) 7.315 3.849 ( 1.305 0.000 -2.090) 2.464 3.884 ( -0.094 0.000 -7.595) 7.596 3.892 ( 6.020 0.000 -3.411) 6.919 3.989 ( -3.742 0.000 5.443) 6.605 4.010 ( -4.795 0.000 -7.955) 9.288 4.067 ( 1.745 0.000 4.643) 4.960 4.189 ( 0.025 0.000 -3.512) 3.512 4.212 ( -1.855 0.000 5.666) 5.962 4.238 ( 5.298 0.000 -3.814) 6.528 4.303 ( -1.112 0.000 -2.308) 2.562 4.482 ( -1.495 0.000 -3.701) 3.991 4.529 ( -1.096 0.000 -5.203) 5.318 4.648 ( -2.134 0.000 -0.284) 2.152 4.698 ( -1.800 0.000 -0.832) 1.983 4.760 ( 3.614 0.000 3.539) 5.058 4.840 ( -2.918 0.000 5.992) 6.665 4.896 ( 12.998 0.000 9.445) 16.067 5.065 ( -0.507 0.000 -0.770) 0.922 5.132 ( 0.352 0.000 -5.071) 5.083 5.173 ( -4.407 0.000 -2.261) 4.953 5.205 ( 7.692 0.000 7.760) 10.926 5.286 ( -2.611 0.000 -1.382) 2.954 5.301 ( -7.858 0.000 1.677) 8.034 5.509 ( 2.149 0.000 1.568) 2.660 5.523 ( -2.190 0.000 -4.207) 4.743 5.542 ( 5.116 0.000 -0.851) 5.186 5.635 ( 10.409 0.000 -2.345) 10.670 5.679 ( 5.289 0.000 -2.446) 5.827 5.748 ( 3.167 0.000 5.059) 5.968 5.765 ( 9.265 0.000 5.543) 10.797 5.861 ( 0.010 0.000 -3.764) 3.764 5.886 ( -1.588 0.000 5.493) 5.718 6.064 ( -0.023 0.000 -9.425) 9.425 6.162 ( 7.121 0.000 7.966) 10.685 6.189 ( -0.590 0.000 -0.398) 0.712 6.281 ( 2.499 0.000 6.601) 7.058 6.303 ( 0.760 0.000 -0.238) 0.796 6.408 ( 2.091 0.000 1.326) 2.475 6.412 ( -0.206 0.000 5.540) 5.543 6.562 ( -2.788 0.000 -3.520) 4.491 6.574 ( 1.071 0.000 3.673) 3.826 6.629 ( 5.792 0.000 2.542) 6.326 6.715 ( -5.274 0.000 4.729) 7.084 6.818 ( 0.514 0.000 0.544) 0.748 6.838 ( -3.490 0.000 -7.702) 8.456 6.998 ( 4.509 0.000 9.558) 10.568 7.055 ( 6.043 0.000 -0.212) 6.047 7.229 ( -6.635 0.000 -0.229) 6.639 7.434 ( -0.690 0.000 -1.317) 1.487 7.457 ( -0.496 0.000 2.509) 2.557 7.488 ( -2.069 0.000 -4.177) 4.661 7.566 ( 1.042 0.000 -0.135) 1.050 7.697 ( -6.472 0.000 0.943) 6.541 7.739 ( 3.409 0.000 -3.021) 4.555 7.859 ( 0.035 0.000 -7.941) 7.941 7.957 ( -4.792 0.000 3.548) 5.963 8.115 ( -2.890 0.000 -0.732) 2.981 8.119 ( 0.068 0.000 5.540) 5.541 8.211 ( -5.004 0.000 -4.785) 6.923 8.237 ( -3.758 0.000 -1.437) 4.023 8.256 ( -1.758 0.000 2.187) 2.806 8.352 ( -1.417 0.000 0.907) 1.682 8.456 ( 2.707 0.000 -1.936) 3.328 8.477 ( 2.431 0.000 -0.241) 2.443 8.584 ( 8.228 0.000 2.316) 8.547 8.589 ( 5.694 0.000 -0.291) 5.701 8.671 ( 1.248 0.000 -3.650) 3.858 8.792 ( -3.327 0.000 -5.644) 6.552 8.895 ( -1.300 0.000 -5.388) 5.542 9.001 ( -7.480 0.000 3.751) 8.368 9.018 ( 1.479 0.000 8.637) 8.763 9.025 ( 3.825 0.000 1.781) 4.219 9.190 ( -4.564 0.000 0.638) 4.609 9.233 ( -0.693 0.000 -3.990) 4.050 9.246 ( -3.589 0.000 1.446) 3.869 9.258 ( -3.885 0.000 0.490) 3.916 9.346 ( 2.770 0.000 -0.010) 2.770 9.417 ( -0.164 0.000 0.627) 0.648 9.419 ( 0.525 0.000 0.538) 0.752 9.525 ( -3.522 0.000 0.987) 3.657 9.568 ( 0.434 0.000 1.560) 1.619 9.707 ( -0.971 0.000 -4.087) 4.201 9.751 ( 1.601 0.000 -0.526) 1.686 9.825 ( -0.590 0.000 -1.566) 1.674 9.965 ( -0.360 0.000 4.246) 4.261 10.105 ( 0.281 0.000 1.551) 1.576 10.113 ( -1.712 0.000 -8.332) 8.506 10.223 ( -0.276 0.000 -5.557) 5.564 10.290 ( 5.798 0.000 3.060) 6.556 10.316 ( -1.091 0.000 -3.284) 3.460 10.396 ( -2.502 0.000 -10.594) 10.886 10.430 ( 1.990 0.000 -4.269) 4.710 10.581 ( -7.529 0.000 -0.078) 7.530 10.712 ( 1.939 0.000 0.620) 2.035 10.729 ( -4.581 0.000 4.908) 6.714 10.904 ( -1.864 0.000 -3.011) 3.541 11.164 ( 1.586 0.000 -7.838) 7.997 11.391 ( -2.545 0.000 6.563) 7.039 11.898 ( 0.525 0.000 -0.708) 0.881 11.998 ( 3.243 0.000 -5.412) 6.309 12.018 ( 3.218 0.000 -9.371) 9.908 12.343 ( -8.077 0.000 6.819) 10.571 12.911 ( -20.183 0.000 -32.193) 37.996 13.325 ( 4.221 0.000 -0.292) 4.232 13.342 ( 5.251 0.000 3.447) 6.281 13.540 ( -3.287 0.000 1.170) 3.489 13.598 ( 2.228 0.000 0.432) 2.269 13.792 ( 0.184 0.000 2.052) 2.060 14.001 ( 2.451 0.000 -5.660) 6.168 14.186 ( -2.336 0.000 4.561) 5.124 14.232 ( -0.685 0.000 3.292) 3.362 14.265 ( 3.168 0.000 2.085) 3.792 14.474 ( 0.875 0.000 -2.668) 2.808 14.537 ( 10.333 0.000 21.522) 23.874 14.694 ( 1.228 0.000 -1.600) 2.017 16.732 ( 0.410 0.000 1.607) 1.658 16.881 ( -6.721 0.000 1.380) 6.862 16.940 ( -1.344 0.000 -11.988) 12.063 17.040 ( -5.362 0.000 -7.253) 9.020 17.276 ( -11.763 0.000 -3.907) 12.394 17.470 ( -6.136 0.000 0.550) 6.161 18.187 ( 0.956 0.000 0.827) 1.264 18.206 ( -3.876 0.000 -0.460) 3.903 18.354 ( 2.023 0.000 -0.660) 2.128 18.464 ( -13.453 0.000 -15.663) 20.648 18.640 ( 0.197 0.000 1.072) 1.090 18.678 ( 2.181 0.000 -4.482) 4.984 18.712 ( -2.608 0.000 -3.306) 4.211 18.933 ( -9.650 0.000 -1.232) 9.728 19.155 ( 2.408 0.000 0.588) 2.479 19.163 ( 3.074 0.000 -3.265) 4.484 19.470 ( 17.403 0.000 30.099) 34.768 19.962 ( 10.127 0.000 -0.218) 10.130 20.271 ( 7.092 0.000 4.266) 8.276 20.298 ( 1.506 0.000 3.312) 3.639 20.361 ( -0.046 0.000 -3.212) 3.212 20.399 ( 10.275 0.000 12.541) 16.213 20.581 ( 3.367 0.000 4.295) 5.457 20.924 ( 6.562 0.000 -1.885) 6.827 22.199 ( -2.173 0.000 -0.332) 2.198 22.241 ( -2.036 0.000 0.409) 2.077 22.267 ( -1.203 0.000 -0.086) 1.206 22.358 ( -1.497 0.000 -2.633) 3.029 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 1.944 21.228 6.577) 22.309 0.773 ( -3.245 22.009 12.188) 25.366 1.571 ( -0.432 44.668 21.297) 49.487 1.623 ( -0.620 -6.300 -10.751) 12.476 1.724 ( -0.495 -18.879 -12.332) 22.555 1.915 ( 0.156 2.831 -6.275) 6.885 2.028 ( 2.317 -1.713 -3.370) 4.434 2.079 ( -0.898 -1.567 -3.049) 3.544 2.169 ( 2.576 -2.688 2.594) 4.538 2.288 ( 3.009 0.777 2.118) 3.760 2.392 ( -4.746 -0.381 1.872) 5.116 2.477 ( 0.418 -0.448 -0.768) 0.982 2.491 ( -0.909 -2.023 0.382) 2.251 2.609 ( -1.163 1.786 1.680) 2.714 2.640 ( 0.489 -0.942 2.650) 2.854 2.673 ( 1.237 0.802 0.271) 1.499 2.747 ( 4.075 0.284 0.769) 4.157 2.830 ( 0.560 1.434 -2.569) 2.995 2.845 ( -2.560 5.604 -1.626) 6.372 2.864 ( -0.818 1.775 -1.411) 2.411 2.942 ( -3.703 2.386 -2.500) 5.065 2.993 ( 0.967 1.518 -1.875) 2.599 3.056 ( 0.728 3.323 -0.507) 3.439 3.088 ( -1.408 0.922 -2.724) 3.202 3.121 ( -0.672 -0.819 -0.364) 1.120 3.198 ( -0.031 3.841 0.579) 3.884 3.254 ( 2.847 -2.061 0.494) 3.549 3.284 ( 1.332 1.755 -0.577) 2.277 3.338 ( 0.631 1.479 0.808) 1.800 3.368 ( -8.763 -1.856 0.091) 8.958 3.381 ( 2.205 -3.908 1.081) 4.616 3.429 ( 1.297 1.649 0.468) 2.149 3.496 ( -0.216 -0.145 6.168) 6.174 3.546 ( 0.028 -0.077 -2.209) 2.210 3.590 ( 4.771 2.340 1.212) 5.450 3.680 ( -3.092 4.176 -2.402) 5.725 3.703 ( 0.032 -5.037 -0.581) 5.070 3.768 ( -1.613 -9.213 -1.080) 9.415 3.845 ( 3.193 -2.958 -0.381) 4.369 3.862 ( -1.622 -2.033 1.044) 2.802 3.903 ( -1.103 -0.653 -0.722) 1.471 4.022 ( 2.363 1.412 2.188) 3.516 4.048 ( -1.250 -4.612 -0.514) 4.806 4.132 ( -1.572 -2.409 -1.632) 3.307 4.204 ( 0.485 -3.711 2.555) 4.532 4.273 ( 1.965 2.072 -0.446) 2.890 4.331 ( -1.104 -0.703 1.384) 1.905 4.385 ( 5.653 4.422 6.070) 9.400 4.469 ( -0.836 0.425 -7.744) 7.801 4.553 ( 0.961 -8.336 -0.379) 8.400 4.629 ( -1.748 -0.259 -0.622) 1.873 4.700 ( 0.257 -5.793 -2.817) 6.447 4.881 ( -0.566 -1.975 -3.022) 3.655 4.972 ( 2.040 2.351 1.356) 3.395 4.999 ( -6.363 0.786 -1.498) 6.584 5.077 ( 2.106 -5.179 -1.451) 5.776 5.143 ( -0.033 -4.928 0.213) 4.933 5.194 ( 1.277 -4.436 2.352) 5.181 5.287 ( 2.320 -2.399 -1.232) 3.557 5.369 ( -2.831 -7.903 -4.872) 9.706 5.407 ( 2.316 -2.097 1.721) 3.567 5.510 ( -1.777 -3.500 0.059) 3.926 5.640 ( 2.510 3.572 1.128) 4.509 5.709 ( -1.818 9.541 -3.179) 10.220 5.793 ( 1.576 1.497 2.496) 3.310 5.817 ( 0.101 2.289 3.044) 3.810 5.848 ( -2.419 0.734 0.076) 2.529 5.940 ( 0.596 2.459 1.957) 3.199 6.058 ( 0.716 4.664 -6.237) 7.820 6.095 ( -0.829 9.289 -7.930) 12.242 6.205 ( -0.114 1.620 -1.386) 2.135 6.239 ( -1.047 1.056 -0.068) 1.488 6.312 ( -0.446 -1.471 1.611) 2.227 6.354 ( 0.222 -2.507 -1.515) 2.937 6.399 ( -1.446 -7.266 -0.993) 7.474 6.411 ( 1.642 -1.400 0.610) 2.242 6.544 ( 4.981 3.361 6.299) 8.705 6.590 ( -9.452 -0.805 -5.403) 10.917 6.674 ( -4.155 -1.404 9.842) 10.775 6.753 ( -0.152 1.710 5.392) 5.659 6.851 ( 4.671 0.737 4.836) 6.764 6.899 ( -0.261 3.485 7.389) 8.174 7.167 ( 6.800 4.462 0.784) 8.171 7.203 ( -2.494 4.812 -0.394) 5.434 7.268 ( 6.846 6.403 2.708) 9.757 7.321 ( -6.863 -1.133 1.927) 7.218 7.385 ( -0.592 -0.719 -1.970) 2.179 7.478 ( -3.021 -0.908 -3.884) 5.004 7.547 ( 0.451 -0.659 -0.464) 0.924 7.627 ( -2.013 2.307 -2.644) 4.045 7.768 ( 1.438 0.282 -4.595) 4.823 7.880 ( 4.248 -1.576 -7.937) 9.139 7.910 ( -2.438 -1.052 2.294) 3.509 8.013 ( -0.539 3.430 0.255) 3.481 8.058 ( -0.387 -5.341 3.920) 6.636 8.142 ( -4.707 0.640 -3.964) 6.187 8.213 ( -1.543 1.801 2.637) 3.546 8.309 ( 1.611 1.618 -0.856) 2.438 8.382 ( 5.548 -0.144 -2.200) 5.970 8.456 ( -2.048 -4.055 0.134) 4.545 8.540 ( -1.370 -1.708 2.842) 3.587 8.580 ( 5.905 -2.284 2.545) 6.824 8.674 ( -10.213 1.154 1.425) 10.376 8.711 ( 1.183 1.650 -1.288) 2.404 8.832 ( 1.750 4.197 1.513) 4.793 8.859 ( -3.195 1.121 2.009) 3.937 8.964 ( 0.667 -0.748 1.315) 1.653 9.034 ( -4.061 2.642 1.871) 5.193 9.050 ( 3.168 5.505 0.151) 6.353 9.068 ( 2.458 0.348 4.280) 4.948 9.166 ( -2.052 -0.685 3.441) 4.065 9.221 ( 1.472 -1.975 -1.045) 2.675 9.253 ( -0.120 4.259 -3.081) 5.258 9.392 ( 0.444 0.497 -1.085) 1.273 9.408 ( 0.440 2.206 -2.025) 3.026 9.416 ( 0.573 -1.210 -1.497) 2.008 9.510 ( 1.080 0.386 0.083) 1.150 9.543 ( -1.514 -0.200 -0.381) 1.574 9.643 ( 1.101 -3.880 -3.151) 5.118 9.687 ( -0.447 -6.208 -2.520) 6.715 9.735 ( -1.212 -2.175 -1.044) 2.700 9.862 ( 1.915 -5.430 -5.659) 8.073 9.937 ( 0.087 -3.234 2.170) 3.896 10.010 ( 0.594 -5.335 6.577) 8.490 10.225 ( 1.314 1.007 -4.826) 5.103 10.321 ( 0.800 -0.856 -1.642) 2.017 10.371 ( -1.242 0.299 0.625) 1.422 10.437 ( -1.864 -0.207 0.850) 2.059 10.493 ( 4.714 5.448 -0.963) 7.269 10.521 ( -2.423 6.037 -2.342) 6.914 10.656 ( 0.333 -0.307 0.582) 0.738 10.805 ( -1.410 1.436 2.949) 3.570 10.936 ( -0.173 -0.595 0.040) 0.621 11.125 ( 0.836 1.931 -0.648) 2.202 11.190 ( 0.104 -4.617 2.246) 5.135 11.692 ( 0.588 -12.871 -7.121) 14.721 11.955 ( -1.079 2.209 -0.414) 2.493 12.043 ( 1.693 2.383 -4.949) 5.748 12.393 ( -1.067 8.090 5.467) 9.822 12.780 ( 1.986 0.657 -9.537) 9.764 13.347 ( 4.617 -0.051 -1.948) 5.011 13.372 ( -1.734 -4.851 3.386) 6.164 13.436 ( 0.100 0.135 -0.670) 0.690 13.692 ( -1.757 -7.644 -3.374) 8.539 13.808 ( 0.553 7.883 4.012) 8.863 13.947 ( 1.657 -0.387 4.602) 4.907 14.189 ( -2.592 1.549 8.083) 8.629 14.250 ( -0.444 2.894 0.162) 2.932 14.312 ( -0.844 0.548 0.505) 1.126 14.466 ( -5.906 -7.754 9.362) 13.515 14.514 ( 1.299 3.132 -1.825) 3.851 14.695 ( 1.851 -2.448 -0.163) 3.073 16.727 ( 1.917 4.767 -0.225) 5.143 16.770 ( -0.420 4.391 -0.904) 4.503 16.980 ( 0.023 -2.434 -0.749) 2.547 17.024 ( 0.335 -2.882 -2.452) 3.799 17.322 ( 0.304 15.328 2.683) 15.564 17.839 ( -1.912 18.241 -21.998) 28.641 18.166 ( -0.748 -0.746 0.385) 1.124 18.181 ( 1.053 -0.348 0.034) 1.110 18.202 ( -2.522 0.021 1.357) 2.864 18.402 ( 2.769 -13.901 7.147) 15.874 18.480 ( -5.659 7.109 -14.091) 16.766 18.686 ( 0.875 3.075 -0.954) 3.336 18.774 ( 3.263 1.667 -1.451) 3.941 18.796 ( -3.744 -2.081 -0.191) 4.288 19.121 ( 1.638 -2.714 -1.034) 3.334 19.177 ( 0.296 -2.682 -2.143) 3.446 19.885 ( 3.172 -3.135 5.381) 6.989 20.010 ( 4.191 -10.154 5.355) 12.220 20.221 ( 2.839 -1.068 0.726) 3.119 20.265 ( -1.349 -2.568 1.297) 3.177 20.484 ( -2.242 2.429 1.837) 3.782 20.552 ( -0.093 5.011 -1.152) 5.143 20.665 ( -0.785 0.475 9.257) 9.302 21.044 ( 1.956 -5.513 -4.907) 7.635 22.191 ( 0.415 0.668 0.263) 0.829 22.217 ( -0.836 0.263 -0.531) 1.025 22.236 ( -0.641 -0.658 0.556) 1.074 22.252 ( 0.111 -0.551 0.088) 0.569 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 14.893 14.964 8.262) 22.672 1.063 ( 19.134 13.298 14.088) 27.229 1.515 ( 1.310 -5.796 -15.082) 16.210 1.789 ( 13.149 -12.371 -8.303) 19.872 1.839 ( 15.116 24.786 11.731) 31.312 1.913 ( 5.022 3.655 -8.246) 10.323 2.091 ( 3.811 -3.025 -3.018) 5.726 2.159 ( 7.234 2.701 -2.253) 8.044 2.244 ( 3.619 -3.395 7.623) 9.096 2.322 ( -2.172 -3.328 -0.118) 3.976 2.393 ( 4.165 1.494 -0.468) 4.449 2.460 ( 1.303 -0.141 -3.023) 3.295 2.511 ( 0.471 -0.985 -0.963) 1.456 2.567 ( -5.055 2.737 0.520) 5.772 2.601 ( -6.076 1.716 -1.083) 6.405 2.659 ( -0.726 -0.313 3.189) 3.286 2.722 ( -4.717 4.184 -4.472) 7.730 2.775 ( -4.864 1.601 0.353) 5.133 2.823 ( 2.028 2.954 1.421) 3.855 2.845 ( -0.534 1.074 0.755) 1.417 2.901 ( -1.134 -0.169 0.862) 1.434 2.989 ( -3.693 0.103 -2.496) 4.459 3.077 ( 2.882 -0.859 2.433) 3.868 3.124 ( 2.366 -0.775 -4.106) 4.802 3.146 ( 0.594 -2.171 -1.275) 2.587 3.174 ( 5.634 2.733 -0.761) 6.308 3.247 ( -3.414 -2.101 2.852) 4.920 3.304 ( 2.240 0.450 3.343) 4.049 3.317 ( 1.778 4.399 2.212) 5.235 3.383 ( 3.611 5.341 0.050) 6.447 3.412 ( 0.591 -3.871 0.256) 3.924 3.460 ( 0.396 2.298 0.814) 2.470 3.519 ( 3.720 4.413 -1.230) 5.901 3.596 ( 3.128 1.581 -2.184) 4.130 3.621 ( -0.731 -1.193 0.662) 1.548 3.678 ( -5.087 3.962 0.480) 6.465 3.696 ( 7.042 -6.346 -2.742) 9.868 3.781 ( 3.170 0.067 -4.408) 5.430 3.853 ( 5.447 -2.202 0.222) 5.880 3.894 ( 1.580 3.414 1.055) 3.907 3.950 ( 3.464 -1.465 1.699) 4.127 4.001 ( -4.089 4.197 -0.649) 5.896 4.076 ( 1.262 -8.988 -0.463) 9.088 4.123 ( 2.119 -4.442 3.733) 6.178 4.219 ( -1.193 0.188 1.230) 1.724 4.274 ( 0.717 -0.783 -0.312) 1.106 4.301 ( -1.096 -2.328 2.291) 3.446 4.409 ( -0.481 3.234 -7.004) 7.730 4.496 ( 1.064 2.272 0.516) 2.561 4.612 ( 4.429 -9.477 -2.435) 10.741 4.639 ( 2.108 -4.882 -0.774) 5.373 4.715 ( 2.301 -7.428 -0.408) 7.787 4.838 ( -2.735 0.405 -1.410) 3.104 4.910 ( 0.759 4.588 2.039) 5.077 4.971 ( -1.787 1.052 -0.450) 2.122 5.115 ( -0.672 -4.845 -6.700) 8.295 5.147 ( 3.129 -8.556 -2.448) 9.433 5.196 ( -3.672 -6.186 3.200) 7.874 5.264 ( -2.761 -6.581 -6.221) 9.467 5.293 ( 0.648 -4.123 -1.272) 4.364 5.394 ( -7.348 1.211 2.035) 7.720 5.462 ( -1.087 -1.967 -1.557) 2.734 5.584 ( -4.427 0.653 -3.760) 5.845 5.723 ( -1.913 1.815 4.111) 4.884 5.763 ( -4.930 4.628 3.719) 7.717 5.810 ( -2.681 2.691 4.244) 5.696 5.848 ( -0.243 3.270 0.331) 3.296 5.893 ( -7.463 2.282 -4.433) 8.975 5.994 ( -1.400 9.289 0.330) 9.400 6.002 ( -4.311 8.998 -0.962) 10.024 6.176 ( -1.202 2.170 -1.000) 2.675 6.193 ( -3.842 1.005 3.245) 5.128 6.291 ( -0.661 -3.677 -0.985) 3.863 6.355 ( -1.582 -4.260 1.098) 4.675 6.391 ( -1.785 -4.566 -5.131) 7.097 6.409 ( -0.105 -0.622 1.745) 1.856 6.493 ( 3.332 -1.120 0.641) 3.573 6.552 ( -9.862 -2.396 5.272) 11.437 6.650 ( -0.318 3.164 5.576) 6.419 6.745 ( -6.608 6.507 7.118) 11.691 6.863 ( -3.081 8.669 3.319) 9.781 6.938 ( 1.505 -1.905 0.385) 2.458 7.141 ( -4.188 4.772 3.589) 7.294 7.223 ( -3.020 -1.589 3.754) 5.073 7.311 ( -1.334 -2.398 0.262) 2.756 7.387 ( 0.829 -2.001 -2.426) 3.252 7.398 ( 1.932 1.222 0.843) 2.436 7.463 ( 5.033 2.340 -2.632) 6.143 7.542 ( 5.183 1.956 -0.887) 5.610 7.606 ( 0.671 -1.685 -4.714) 5.051 7.761 ( 2.962 3.178 -3.973) 5.887 7.811 ( 0.216 1.931 -4.757) 5.139 7.970 ( -3.059 3.599 -0.112) 4.725 8.024 ( 6.321 1.128 -0.719) 6.461 8.086 ( 2.296 0.262 2.450) 3.368 8.150 ( 5.047 -1.014 2.688) 5.808 8.221 ( -0.159 -0.579 2.302) 2.379 8.297 ( -3.313 -0.647 -0.316) 3.391 8.362 ( -1.668 -1.847 -2.321) 3.403 8.439 ( -0.585 1.780 -0.523) 1.946 8.502 ( -1.693 2.530 -0.049) 3.044 8.591 ( -2.418 -1.720 3.348) 4.474 8.673 ( 3.348 0.853 -2.979) 4.562 8.800 ( 7.287 -3.371 -0.744) 8.064 8.821 ( 0.091 2.146 -0.327) 2.173 8.857 ( -2.588 2.818 7.256) 8.203 8.951 ( -4.696 -2.663 0.717) 5.446 9.017 ( -0.084 -0.966 -3.798) 3.920 9.062 ( 1.810 3.897 -2.438) 4.940 9.155 ( 3.258 -0.988 3.354) 4.779 9.232 ( 0.848 5.815 -4.006) 7.112 9.262 ( 6.791 -0.398 3.906) 7.844 9.286 ( 5.538 1.397 -0.675) 5.751 9.359 ( -0.526 -0.160 -1.798) 1.880 9.405 ( 0.204 -0.249 0.195) 0.376 9.442 ( -0.594 0.083 1.204) 1.345 9.501 ( 1.339 1.287 0.824) 2.031 9.550 ( -0.238 -1.823 2.960) 3.485 9.633 ( 1.105 -4.423 -6.193) 7.690 9.669 ( -0.415 -8.005 -0.674) 8.044 9.742 ( 1.181 -1.017 -0.446) 1.620 9.853 ( -1.321 -8.611 -2.318) 9.015 9.961 ( 2.158 -1.475 -0.281) 2.629 10.103 ( 2.482 -3.282 4.666) 6.221 10.186 ( -1.734 2.863 -5.423) 6.372 10.262 ( -5.904 1.296 0.059) 6.045 10.321 ( -1.152 -1.751 -2.740) 3.450 10.411 ( -1.794 -1.718 1.200) 2.758 10.539 ( 2.816 4.070 -0.811) 5.015 10.574 ( 4.721 4.511 -2.119) 6.865 10.677 ( 1.526 0.264 2.250) 2.731 10.809 ( 0.511 0.860 1.280) 1.625 10.966 ( 3.166 1.253 -1.370) 3.671 11.131 ( 1.735 4.764 -4.719) 6.926 11.246 ( 1.813 -9.505 6.918) 11.895 11.689 ( 4.146 -11.865 -8.753) 15.316 11.896 ( -4.178 2.256 -2.938) 5.583 12.080 ( 5.437 0.435 -4.142) 6.849 12.420 ( -0.208 6.494 6.952) 9.516 12.798 ( 5.499 -4.081 -8.327) 10.781 13.288 ( -6.295 -4.613 0.516) 7.821 13.369 ( -2.792 -4.717 1.610) 5.713 13.469 ( 2.909 0.588 -2.306) 3.758 13.666 ( 0.856 -5.373 -2.049) 5.814 13.833 ( -0.999 8.483 3.802) 9.349 13.983 ( -0.645 1.266 2.906) 3.235 14.196 ( -1.109 1.181 5.176) 5.424 14.251 ( -0.309 2.940 1.754) 3.437 14.281 ( -2.282 -0.094 0.015) 2.284 14.413 ( -4.568 -3.566 8.480) 10.271 14.527 ( 1.304 3.385 -1.580) 3.957 14.719 ( 0.768 -2.428 -0.143) 2.550 16.744 ( 0.902 6.127 -0.980) 6.270 16.834 ( 6.212 4.244 -0.146) 7.525 17.005 ( 4.507 -0.276 -2.713) 5.268 17.112 ( 8.071 -1.077 -1.049) 8.210 17.379 ( 3.741 11.799 4.161) 13.059 17.615 ( -6.681 19.398 -12.850) 24.209 18.120 ( -4.774 -3.868 1.111) 6.244 18.201 ( 1.018 -0.836 0.057) 1.319 18.239 ( 5.067 -1.288 -0.079) 5.228 18.414 ( 3.606 -1.526 -4.174) 5.723 18.499 ( 2.636 -6.373 3.066) 7.547 18.678 ( -3.611 -4.905 -3.787) 7.172 18.705 ( 0.716 4.034 -0.128) 4.099 18.899 ( 7.660 -0.421 0.014) 7.672 19.108 ( -1.559 -0.691 -1.658) 2.378 19.168 ( 0.304 -2.682 -1.948) 3.328 19.841 ( -7.899 -3.539 3.254) 9.247 19.995 ( -5.076 -5.960 0.627) 7.853 20.230 ( -2.642 -0.989 -0.929) 2.970 20.288 ( 0.647 0.160 3.509) 3.572 20.405 ( -7.460 -1.141 2.686) 8.011 20.509 ( -4.336 1.366 -0.157) 4.549 20.624 ( -8.533 3.802 6.956) 11.648 20.943 ( -7.961 -3.186 -3.234) 9.164 22.216 ( 1.355 0.449 -0.295) 1.458 22.228 ( 2.609 0.793 0.201) 2.735 22.261 ( 1.768 -1.213 -0.049) 2.145 22.279 ( 2.992 -0.904 -0.192) 3.132 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 21.764 9.287 6.264) 24.478 1.499 ( 18.367 8.912 14.222) 24.880 1.547 ( 10.543 -0.105 -8.144) 13.323 1.939 ( 3.600 -2.062 -6.498) 7.709 1.981 ( 8.151 3.680 -8.245) 12.164 2.096 ( 3.362 -6.532 0.710) 7.381 2.123 ( 4.258 -0.876 -2.535) 5.032 2.218 ( -1.367 -4.541 -1.935) 5.122 2.299 ( 4.741 -1.544 -0.329) 4.997 2.352 ( 1.965 -3.620 -1.288) 4.315 2.357 ( -6.388 -0.239 -1.835) 6.651 2.430 ( -2.393 -1.603 -3.026) 4.178 2.452 ( -1.913 4.712 -1.176) 5.220 2.490 ( -2.311 -1.463 0.480) 2.777 2.559 ( -1.689 -0.826 -0.802) 2.044 2.630 ( -3.526 1.587 -3.984) 5.552 2.678 ( -1.740 0.950 3.075) 3.658 2.757 ( -3.030 -0.764 -2.675) 4.114 2.801 ( 5.500 -0.626 3.493) 6.546 2.823 ( -1.603 1.950 1.491) 2.932 2.915 ( -0.716 0.563 1.483) 1.740 3.018 ( 7.674 -0.158 5.597) 9.499 3.109 ( 2.982 0.159 -1.584) 3.381 3.127 ( -3.964 -3.240 0.688) 5.166 3.185 ( -1.788 0.896 0.717) 2.124 3.252 ( 7.857 6.361 7.921) 12.842 3.297 ( 5.442 1.515 1.168) 5.768 3.373 ( 0.690 -0.817 2.358) 2.589 3.401 ( 6.565 8.112 1.547) 10.549 3.430 ( 1.300 2.550 1.236) 3.118 3.454 ( 1.499 5.175 2.696) 6.024 3.497 ( 2.382 4.964 1.046) 5.604 3.553 ( -1.138 0.340 -2.236) 2.532 3.580 ( 0.915 4.617 -2.102) 5.155 3.608 ( 2.640 0.986 -0.311) 2.835 3.670 ( 1.798 -0.149 -3.225) 3.695 3.760 ( 0.528 0.003 1.373) 1.471 3.822 ( 4.468 2.030 -4.607) 6.731 3.928 ( 1.191 4.631 -2.280) 5.297 3.949 ( 2.724 4.056 0.791) 4.950 3.954 ( 4.342 -0.131 -2.163) 4.853 4.054 ( 5.601 0.513 -3.345) 6.544 4.126 ( 0.727 -2.815 1.046) 3.090 4.169 ( 3.678 -4.184 4.624) 7.240 4.229 ( 3.788 -0.568 1.381) 4.072 4.312 ( 3.791 -0.887 -5.762) 6.954 4.344 ( 2.526 -2.595 2.779) 4.564 4.394 ( 4.072 0.772 -1.423) 4.382 4.472 ( -2.594 -1.196 -0.205) 2.864 4.577 ( -8.690 -8.719 -0.763) 12.334 4.639 ( 1.189 -3.502 -3.832) 5.326 4.738 ( -0.827 -2.989 -2.736) 4.135 4.798 ( 0.557 -3.148 2.765) 4.227 4.952 ( -0.467 -1.476 -1.583) 2.214 4.983 ( -7.001 5.590 -4.776) 10.153 5.044 ( 3.446 -6.137 -4.273) 8.233 5.068 ( -7.114 -2.277 -1.977) 7.726 5.108 ( 1.932 -2.551 0.581) 3.252 5.252 ( 1.157 -4.274 -0.410) 4.447 5.290 ( -2.467 -0.489 0.876) 2.663 5.369 ( 2.695 -0.890 -2.248) 3.621 5.430 ( -0.281 -0.931 -0.336) 1.029 5.494 ( -1.890 -1.593 -2.771) 3.713 5.640 ( -7.101 -4.914 4.458) 9.718 5.689 ( -7.004 5.245 4.369) 9.780 5.733 ( -5.617 1.776 -1.669) 6.122 5.768 ( -5.906 0.610 3.591) 6.939 5.782 ( -5.701 1.745 -1.315) 6.106 5.877 ( -7.520 6.776 2.033) 10.325 6.027 ( 0.063 8.015 2.027) 8.268 6.118 ( -7.048 -0.732 2.145) 7.404 6.194 ( 1.594 0.027 0.935) 1.849 6.282 ( 1.411 -1.088 -0.216) 1.795 6.310 ( -3.557 -2.912 0.609) 4.637 6.348 ( -1.756 -4.734 -0.382) 5.063 6.385 ( -5.090 -4.191 0.359) 6.603 6.467 ( 1.022 1.440 2.850) 3.353 6.559 ( 2.744 1.435 -1.033) 3.264 6.638 ( -4.639 4.055 3.567) 7.119 6.659 ( -4.665 1.958 4.960) 7.085 6.847 ( -0.600 4.989 -0.213) 5.030 6.935 ( -0.268 -0.720 -2.630) 2.740 7.078 ( -5.274 1.942 3.519) 6.631 7.178 ( -2.431 -1.037 1.356) 2.971 7.252 ( -3.919 -2.895 1.501) 5.098 7.319 ( -3.296 -1.058 -3.172) 4.695 7.466 ( 2.296 -0.754 0.957) 2.600 7.498 ( 0.279 5.800 -1.903) 6.111 7.601 ( 3.651 -2.241 0.738) 4.347 7.689 ( 5.843 1.861 -1.956) 6.437 7.801 ( 4.171 3.068 -4.451) 6.828 7.852 ( 4.314 2.962 -1.259) 5.383 7.967 ( 1.793 1.598 2.450) 3.431 8.081 ( -0.128 -3.307 0.982) 3.452 8.145 ( 0.902 0.368 1.251) 1.586 8.189 ( -0.487 0.959 0.616) 1.239 8.244 ( 0.025 0.391 -0.475) 0.616 8.288 ( 6.009 0.006 0.169) 6.012 8.367 ( 1.193 0.491 1.148) 1.727 8.434 ( -0.158 4.036 2.538) 4.771 8.473 ( -1.255 -0.063 -0.773) 1.475 8.599 ( 1.183 4.086 -1.806) 4.621 8.712 ( 3.262 1.507 -4.755) 5.960 8.785 ( -0.847 5.454 -1.227) 5.654 8.834 ( -0.697 -1.843 0.473) 2.027 8.875 ( -2.092 -3.686 1.382) 4.458 8.934 ( -0.939 -1.281 3.621) 3.954 8.999 ( 1.870 -2.678 -1.075) 3.439 9.060 ( -0.532 -3.042 -0.784) 3.186 9.191 ( -0.129 -0.895 -0.792) 1.202 9.222 ( 1.728 7.413 -2.853) 8.129 9.343 ( -0.944 -2.218 -2.363) 3.376 9.362 ( 1.496 0.740 -0.445) 1.727 9.399 ( 2.168 0.263 3.143) 3.827 9.432 ( 2.277 2.001 1.606) 3.430 9.464 ( 5.724 -1.778 2.724) 6.584 9.545 ( 0.207 -3.102 0.124) 3.112 9.569 ( 1.723 0.407 -0.245) 1.787 9.616 ( 1.053 -2.897 -2.353) 3.878 9.684 ( 2.388 -6.889 2.090) 7.584 9.748 ( -0.007 -0.137 -0.420) 0.442 9.822 ( 0.042 -4.895 -1.512) 5.124 9.993 ( 1.414 0.691 -0.345) 1.611 10.060 ( -5.218 3.348 0.192) 6.203 10.156 ( -0.640 3.380 -3.827) 5.146 10.180 ( -3.824 -3.428 1.991) 5.508 10.289 ( -1.774 -1.598 0.780) 2.512 10.369 ( -3.296 -3.675 0.310) 4.946 10.576 ( 1.971 4.477 -0.557) 4.924 10.626 ( 3.020 3.627 -2.953) 5.568 10.747 ( 3.438 -0.634 3.179) 4.725 10.824 ( -0.244 2.296 1.358) 2.678 11.014 ( 3.547 2.692 -2.950) 5.341 11.136 ( 2.060 5.129 -4.104) 6.885 11.313 ( 0.342 -9.611 7.329) 12.092 11.703 ( 1.224 -1.827 -5.730) 6.137 11.807 ( -0.676 -4.289 -5.798) 7.244 12.144 ( 4.287 -0.807 -5.760) 7.225 12.472 ( 0.211 1.048 8.361) 8.429 12.852 ( 5.315 -7.698 -6.303) 11.280 13.183 ( -4.918 -6.756 -0.412) 8.367 13.302 ( -4.111 -9.782 -0.265) 10.614 13.506 ( 2.426 4.216 -0.817) 4.932 13.676 ( 0.324 -3.383 0.586) 3.448 13.810 ( -3.113 8.652 0.949) 9.244 13.956 ( -3.324 1.122 0.778) 3.593 14.219 ( 0.604 2.274 2.947) 3.771 14.236 ( -1.978 2.806 3.128) 4.644 14.279 ( 0.446 2.026 1.458) 2.536 14.404 ( -1.865 -2.648 4.927) 5.896 14.539 ( 1.112 3.670 -1.554) 4.137 14.724 ( 0.156 -2.166 -0.725) 2.289 16.769 ( 1.834 10.423 0.390) 10.590 16.940 ( 5.463 7.207 -1.376) 9.147 17.085 ( 4.767 2.608 -1.110) 5.546 17.226 ( 4.100 5.610 -2.239) 7.300 17.503 ( 6.520 2.296 1.378) 7.049 17.526 ( 4.748 4.772 -1.336) 6.863 18.033 ( -5.655 -7.688 1.100) 9.607 18.174 ( -5.602 -4.371 0.335) 7.114 18.351 ( 6.610 -2.154 -0.273) 6.957 18.481 ( 3.428 -5.819 0.471) 6.770 18.513 ( 0.050 -3.895 -2.933) 4.876 18.627 ( 0.052 -3.157 0.368) 3.179 18.741 ( 4.012 6.072 -2.144) 7.587 18.996 ( 2.283 2.085 -3.979) 5.039 19.117 ( 4.432 -1.086 0.367) 4.578 19.159 ( 0.480 -2.350 -1.081) 2.631 19.706 ( -8.317 -1.256 2.526) 8.782 19.894 ( -5.163 -2.270 -1.768) 5.911 20.161 ( -4.231 0.736 -0.914) 4.391 20.259 ( -6.005 4.441 2.191) 7.784 20.315 ( -4.444 -5.354 7.835) 10.478 20.389 ( -8.264 -0.658 0.642) 8.315 20.504 ( -6.529 5.388 1.222) 8.553 20.761 ( -9.302 -2.904 -3.249) 10.272 22.244 ( 1.887 0.443 -0.220) 1.950 22.281 ( 1.975 0.115 0.266) 1.996 22.291 ( 1.897 -0.739 0.438) 2.082 22.331 ( 2.673 -1.052 -0.706) 2.958 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 17.919 3.682 3.379) 18.603 1.760 ( 12.658 3.893 2.629) 13.502 1.863 ( -2.619 -2.178 -0.308) 3.420 1.880 ( 9.111 3.808 4.358) 10.794 1.983 ( -5.653 -1.844 0.974) 6.025 2.054 ( -11.308 0.466 -2.560) 11.603 2.124 ( 7.561 -0.858 -4.848) 9.022 2.135 ( -4.406 2.345 1.976) 5.368 2.214 ( -2.015 -6.320 -0.355) 6.643 2.350 ( -1.960 0.864 -2.200) 3.070 2.367 ( 1.191 -3.493 0.615) 3.741 2.440 ( 2.796 -5.991 -2.062) 6.925 2.487 ( 6.969 -4.786 3.207) 9.043 2.509 ( 0.365 -2.400 1.395) 2.800 2.546 ( -0.177 -0.489 -2.495) 2.549 2.602 ( 2.634 -0.187 -0.828) 2.767 2.617 ( -0.410 0.123 -1.526) 1.585 2.759 ( 0.846 -2.543 1.292) 2.975 2.811 ( -0.486 3.482 -1.287) 3.744 2.894 ( 1.843 0.819 2.520) 3.228 2.912 ( -0.029 1.453 4.006) 4.262 3.031 ( -2.606 -2.612 -3.974) 5.423 3.111 ( -2.748 -4.236 2.318) 5.556 3.151 ( 1.284 3.173 1.997) 3.963 3.172 ( 0.342 -4.112 -1.006) 4.247 3.283 ( -6.042 6.104 0.859) 8.631 3.364 ( -0.178 9.304 -0.326) 9.311 3.393 ( -2.451 2.949 -0.338) 3.849 3.430 ( -2.474 3.676 -1.391) 4.644 3.490 ( 1.636 2.062 -0.751) 2.737 3.508 ( 0.313 3.532 -3.208) 4.782 3.556 ( 5.478 2.246 2.311) 6.356 3.580 ( 3.509 5.143 3.029) 6.924 3.645 ( 2.061 -1.527 -1.654) 3.052 3.677 ( 5.392 2.459 -4.304) 7.324 3.739 ( 8.491 4.039 3.567) 10.057 3.793 ( -2.419 -3.376 2.670) 4.938 3.878 ( 5.900 1.797 3.217) 6.956 3.932 ( -0.955 5.133 -5.108) 7.304 3.948 ( -0.709 2.836 -1.511) 3.291 3.974 ( -2.688 4.262 -2.285) 5.533 4.070 ( -1.519 6.615 0.252) 6.792 4.150 ( 3.030 -3.168 -3.494) 5.606 4.222 ( -7.991 -1.297 -3.204) 8.707 4.306 ( 3.608 -2.391 4.598) 6.315 4.322 ( -1.051 -0.036 6.148) 6.238 4.362 ( 5.851 -1.694 -5.504) 8.209 4.459 ( 4.595 -5.090 6.124) 9.194 4.488 ( 5.399 2.134 -6.053) 8.387 4.546 ( 10.017 3.823 -0.557) 10.736 4.663 ( -5.891 -3.260 2.586) 7.213 4.721 ( 3.585 -1.596 -0.709) 3.988 4.793 ( -1.200 -1.108 -2.467) 2.959 4.830 ( -3.591 0.065 3.762) 5.201 4.917 ( -5.319 5.924 0.432) 7.973 4.976 ( 0.226 -1.243 -9.187) 9.274 5.037 ( 3.875 -9.680 -3.992) 11.165 5.157 ( -1.564 2.882 -0.900) 3.400 5.195 ( -5.992 -2.615 -1.667) 6.747 5.302 ( 3.043 -1.649 3.808) 5.146 5.392 ( 1.789 0.310 -1.770) 2.536 5.445 ( -0.301 -2.739 -0.968) 2.921 5.478 ( -1.794 -3.685 0.509) 4.130 5.572 ( -2.451 -3.029 0.452) 3.922 5.609 ( -3.397 0.953 1.435) 3.808 5.656 ( -1.669 0.180 -1.724) 2.407 5.688 ( -1.546 -1.581 3.808) 4.403 5.726 ( 0.175 -0.737 4.011) 4.082 5.776 ( -4.904 3.749 3.396) 7.045 5.979 ( -7.150 -2.455 -0.219) 7.563 6.031 ( -0.876 3.021 -0.419) 3.173 6.112 ( -6.630 1.293 -0.338) 6.764 6.285 ( -0.501 -2.139 -0.696) 2.305 6.319 ( 0.969 -0.499 -0.063) 1.092 6.324 ( -0.259 -1.754 1.007) 2.039 6.395 ( 2.925 -4.633 0.068) 5.479 6.488 ( -0.265 1.612 2.117) 2.674 6.534 ( -4.743 3.755 0.925) 6.119 6.622 ( 0.769 2.935 6.100) 6.813 6.649 ( -0.431 -1.957 2.969) 3.582 6.815 ( -0.775 0.555 -4.135) 4.244 6.922 ( 1.563 3.216 -3.774) 5.199 7.014 ( -3.872 -0.561 2.718) 4.763 7.144 ( -3.430 0.262 0.991) 3.580 7.216 ( -0.251 -2.324 2.871) 3.702 7.292 ( 1.302 0.457 1.385) 1.955 7.476 ( -1.149 4.097 -1.999) 4.701 7.502 ( 1.915 0.338 -0.205) 1.955 7.660 ( 1.900 0.224 -0.506) 1.979 7.719 ( -0.965 -0.073 0.123) 0.976 7.840 ( 2.625 2.909 -4.655) 6.085 7.916 ( 3.381 1.091 -1.640) 3.913 8.020 ( 0.170 -1.482 4.993) 5.211 8.053 ( -0.879 -0.354 0.360) 1.013 8.173 ( 0.664 0.839 2.932) 3.121 8.199 ( 0.402 -2.683 2.823) 3.915 8.283 ( 2.465 2.415 -0.361) 3.470 8.362 ( 1.522 0.884 -0.152) 1.767 8.392 ( 1.292 1.759 -0.985) 2.395 8.412 ( -2.788 2.219 -1.655) 3.929 8.476 ( 0.827 1.357 2.026) 2.575 8.595 ( 1.149 5.478 -4.289) 7.052 8.725 ( 1.372 1.151 -3.409) 3.851 8.764 ( -2.061 1.716 -0.047) 2.682 8.816 ( 0.835 -2.098 -4.175) 4.747 8.893 ( 2.225 -1.848 -1.582) 3.297 8.931 ( 0.307 -0.091 5.148) 5.158 9.009 ( 0.003 -3.076 -2.195) 3.779 9.045 ( -1.976 -3.326 3.416) 5.161 9.185 ( 0.016 2.267 0.776) 2.396 9.249 ( 0.813 0.644 0.245) 1.065 9.279 ( -2.158 -3.064 -3.347) 5.025 9.353 ( -2.418 -3.027 -0.730) 3.943 9.399 ( -0.578 -0.849 -1.033) 1.456 9.487 ( 0.487 2.045 -0.037) 2.103 9.505 ( -1.377 0.502 0.174) 1.476 9.578 ( 2.625 -0.087 0.342) 2.649 9.635 ( 4.072 -0.631 -3.689) 5.531 9.663 ( 5.842 -2.793 4.398) 7.828 9.709 ( -2.734 -4.597 2.475) 5.894 9.763 ( 0.388 -0.010 1.929) 1.968 9.858 ( 4.712 -0.307 -0.582) 4.758 9.989 ( -2.310 3.948 1.789) 4.912 10.009 ( -0.649 2.637 0.256) 2.728 10.114 ( 0.924 -0.754 -4.058) 4.230 10.152 ( -1.550 -0.298 3.010) 3.399 10.234 ( -4.973 -2.018 0.902) 5.443 10.329 ( -1.015 -3.384 1.078) 3.693 10.607 ( 2.134 4.812 -1.558) 5.489 10.653 ( 1.889 3.115 -2.286) 4.301 10.800 ( 0.115 -0.927 1.881) 2.100 10.814 ( -1.944 3.485 1.642) 4.315 11.054 ( 3.026 3.479 -3.173) 5.597 11.148 ( 1.720 5.687 -3.720) 7.010 11.346 ( -2.228 -8.960 7.340) 11.795 11.677 ( 0.265 7.907 1.093) 7.987 11.817 ( 4.825 -11.265 -7.381) 14.306 12.158 ( 2.356 1.830 -8.241) 8.764 12.515 ( -1.808 -6.540 8.690) 11.025 12.902 ( 3.510 -10.841 -3.612) 11.954 13.120 ( -1.441 -7.084 -1.243) 7.335 13.231 ( -2.397 -9.091 -3.073) 9.891 13.553 ( 2.445 4.304 2.076) 5.368 13.681 ( -0.666 -2.074 1.809) 2.832 13.755 ( -2.024 8.248 -1.214) 8.579 13.895 ( -2.886 -0.433 -0.698) 3.000 14.227 ( -1.688 5.212 3.757) 6.642 14.245 ( 0.357 3.406 2.094) 4.014 14.290 ( -0.158 1.957 0.667) 2.073 14.398 ( -1.558 -3.168 2.714) 4.453 14.547 ( 0.682 3.750 -1.308) 4.030 14.718 ( -0.056 -1.865 -1.630) 2.477 16.804 ( 0.828 13.884 2.353) 14.106 17.004 ( 2.845 11.998 -2.533) 12.588 17.137 ( 1.141 3.404 0.581) 3.636 17.247 ( 1.323 6.463 -1.227) 6.710 17.648 ( 4.266 -4.321 2.340) 6.508 17.702 ( 15.056 -4.805 0.103) 15.805 17.926 ( -6.587 -9.731 -0.719) 11.773 18.003 ( -11.577 -8.574 1.649) 14.501 18.440 ( 2.350 -1.492 0.540) 2.836 18.499 ( 1.959 -6.387 -2.150) 7.018 18.556 ( 2.140 -0.835 2.513) 3.405 18.639 ( 0.006 -2.227 1.468) 2.667 18.828 ( 6.861 6.513 -2.497) 9.784 18.988 ( 0.927 4.800 -4.837) 6.877 19.132 ( -0.219 -1.537 -2.355) 2.820 19.220 ( 2.624 -3.879 -1.239) 4.844 19.587 ( -5.659 1.077 0.960) 5.840 19.797 ( -3.450 -0.151 -3.885) 5.198 20.068 ( -6.376 3.070 2.796) 7.609 20.182 ( -3.033 0.601 1.053) 3.267 20.253 ( -4.988 1.584 5.039) 7.265 20.334 ( 0.507 -2.278 2.038) 3.099 20.421 ( -2.329 2.242 -1.014) 3.388 20.604 ( -4.171 -3.384 -3.392) 6.352 22.275 ( 1.319 0.019 0.206) 1.335 22.296 ( -0.016 -0.834 0.380) 0.917 22.325 ( 0.933 0.564 0.116) 1.097 22.361 ( 1.072 -0.846 -0.700) 1.535 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -20.852 5.383 1.443) 21.584 1.610 ( -19.216 4.678 -0.352) 19.780 1.820 ( -6.186 -3.257 2.215) 7.333 2.012 ( -0.343 -4.101 -0.250) 4.123 2.043 ( 1.630 -1.044 1.411) 2.396 2.126 ( 13.239 2.906 2.128) 13.720 2.176 ( 6.290 -6.934 -0.886) 9.404 2.257 ( 10.329 0.203 2.134) 10.549 2.288 ( 8.684 -3.912 3.723) 10.226 2.332 ( -2.042 -0.196 -2.211) 3.016 2.397 ( 2.417 -1.469 -0.236) 2.838 2.468 ( -0.812 0.127 2.272) 2.416 2.501 ( 0.401 -1.048 0.588) 1.267 2.519 ( 1.242 0.382 1.085) 1.693 2.594 ( 3.267 1.771 -1.051) 3.861 2.617 ( 0.134 -1.667 0.871) 1.885 2.697 ( 3.589 -1.226 0.173) 3.797 2.775 ( -1.842 1.722 -1.995) 3.216 2.815 ( 3.416 0.068 2.064) 3.992 2.900 ( -1.799 1.416 1.425) 2.697 2.934 ( -2.356 0.996 4.320) 5.020 2.960 ( -3.953 -3.649 -8.794) 10.309 3.068 ( -3.700 1.718 -3.997) 5.711 3.087 ( -4.226 -0.081 5.706) 7.101 3.164 ( -6.696 -5.574 0.332) 8.719 3.228 ( 0.506 4.247 2.571) 4.990 3.314 ( -5.351 -0.189 -0.883) 5.427 3.338 ( -1.787 3.296 -2.341) 4.420 3.394 ( -0.451 8.994 2.271) 9.287 3.439 ( -2.740 6.589 -2.826) 7.675 3.474 ( -5.407 1.369 -0.287) 5.585 3.519 ( -4.996 4.297 -0.365) 6.600 3.597 ( 0.766 -0.250 -0.349) 0.878 3.622 ( -4.092 3.802 -4.381) 7.099 3.661 ( -3.540 -0.565 -2.414) 4.322 3.721 ( -2.204 -0.086 1.454) 2.642 3.803 ( 2.343 -0.969 -1.091) 2.761 3.847 ( 2.533 4.324 -1.768) 5.314 3.922 ( -1.346 2.273 -3.652) 4.507 3.971 ( 3.691 4.195 -5.275) 7.684 4.025 ( 2.248 0.203 2.684) 3.507 4.075 ( 0.546 3.592 1.822) 4.064 4.137 ( -2.887 -7.132 -0.166) 7.696 4.196 ( -10.581 -3.467 4.220) 11.907 4.320 ( 0.748 0.915 6.148) 6.261 4.351 ( -5.057 -0.464 -2.927) 5.861 4.364 ( -0.038 -1.146 -3.202) 3.401 4.453 ( -0.436 -2.264 -2.595) 3.471 4.556 ( -2.725 0.258 1.883) 3.323 4.673 ( 8.748 1.245 1.873) 9.032 4.730 ( 1.218 1.861 -6.782) 7.138 4.762 ( 3.376 -0.325 4.158) 5.366 4.772 ( -3.805 -1.498 3.802) 5.583 4.852 ( 4.771 5.696 -4.470) 8.671 4.882 ( 6.741 5.923 4.281) 9.942 4.980 ( 6.904 2.001 -1.505) 7.344 5.084 ( -0.276 -3.312 0.891) 3.440 5.158 ( 3.230 -0.652 -3.679) 4.939 5.180 ( 3.671 -3.269 2.742) 5.629 5.289 ( -2.337 -3.273 -0.961) 4.135 5.363 ( -0.309 -4.397 -4.071) 6.000 5.397 ( -1.445 -3.448 -3.234) 4.943 5.492 ( 1.642 -0.037 5.866) 6.092 5.544 ( -0.871 -0.679 -1.796) 2.108 5.596 ( -2.553 -1.004 1.769) 3.264 5.638 ( 2.215 -0.938 -2.784) 3.679 5.725 ( 1.564 3.230 0.630) 3.643 5.776 ( 2.779 0.360 4.001) 4.884 5.821 ( 5.195 -0.206 5.019) 7.226 5.930 ( 3.101 -3.869 0.458) 4.980 5.999 ( -1.764 1.717 -1.287) 2.778 6.054 ( 1.792 0.238 -2.969) 3.476 6.271 ( -0.801 -0.805 1.328) 1.748 6.321 ( -0.289 -1.405 1.078) 1.794 6.329 ( 0.180 -1.751 -0.289) 1.784 6.417 ( 0.439 -3.060 -2.339) 3.877 6.469 ( -2.565 2.235 1.101) 3.576 6.502 ( 0.230 0.015 1.376) 1.396 6.637 ( -1.851 -0.445 4.083) 4.505 6.712 ( 2.550 0.637 5.801) 6.369 6.811 ( 3.296 2.925 -3.096) 5.385 6.939 ( 1.834 4.195 -3.217) 5.596 6.970 ( -2.191 0.712 2.888) 3.695 7.078 ( -3.381 -0.711 -1.866) 3.926 7.265 ( 2.385 0.017 4.749) 5.314 7.362 ( 3.409 -0.900 4.611) 5.805 7.431 ( -2.254 1.665 -2.596) 3.820 7.530 ( 0.883 0.671 0.510) 1.221 7.663 ( 0.328 2.692 -2.993) 4.038 7.699 ( -1.649 -1.187 1.056) 2.290 7.836 ( 0.543 2.407 -4.655) 5.269 7.925 ( -0.485 1.318 -3.674) 3.933 8.037 ( 1.204 -2.224 1.745) 3.073 8.075 ( -1.260 -0.722 5.739) 5.920 8.191 ( -0.736 1.131 5.120) 5.295 8.227 ( -1.631 -1.592 2.920) 3.704 8.278 ( -2.182 0.874 0.085) 2.352 8.326 ( -0.916 2.161 -2.041) 3.110 8.383 ( -0.469 0.676 -2.022) 2.183 8.407 ( -0.738 -1.476 1.507) 2.235 8.491 ( 0.538 1.582 0.472) 1.736 8.588 ( 1.076 4.353 -4.849) 6.604 8.674 ( -3.840 -1.712 -5.544) 6.958 8.763 ( 2.199 -0.019 -5.216) 5.660 8.794 ( -0.604 0.790 -0.754) 1.248 8.900 ( -1.097 -0.902 2.983) 3.304 8.986 ( 5.346 4.200 -5.191) 8.554 9.026 ( -1.990 0.108 2.284) 3.031 9.063 ( 3.975 -4.338 7.236) 9.326 9.181 ( -1.967 2.633 -0.978) 3.429 9.236 ( 0.516 -1.546 0.448) 1.690 9.275 ( 0.314 -3.724 2.870) 4.712 9.296 ( -1.236 -3.434 -3.594) 5.122 9.391 ( 0.472 1.032 -2.413) 2.667 9.411 ( -4.626 1.571 -1.298) 5.054 9.505 ( -1.563 1.443 0.683) 2.234 9.605 ( -2.132 -1.202 1.832) 3.057 9.664 ( 0.879 -2.506 0.060) 2.656 9.706 ( 1.882 -1.077 0.359) 2.198 9.725 ( -4.669 1.609 0.591) 4.974 9.762 ( 1.594 -3.720 2.252) 4.631 9.912 ( -0.707 -1.773 0.107) 1.911 9.985 ( -0.281 -1.133 -0.945) 1.502 10.023 ( 3.770 3.453 5.000) 7.151 10.118 ( -3.469 -3.149 0.733) 4.742 10.166 ( 4.825 -0.492 -2.520) 5.465 10.186 ( 1.419 2.010 0.147) 2.464 10.343 ( 1.195 -2.947 1.905) 3.707 10.624 ( 0.466 3.465 -0.662) 3.558 10.660 ( 1.027 4.705 -5.486) 7.300 10.768 ( -3.306 0.591 0.872) 3.470 10.798 ( -1.633 3.196 3.769) 5.204 11.079 ( 1.805 2.622 -3.251) 4.550 11.149 ( 1.234 6.281 -3.704) 7.395 11.321 ( -5.055 -8.927 6.536) 12.164 11.758 ( 5.607 6.809 4.550) 9.925 11.856 ( 3.851 -10.390 -6.123) 12.660 12.133 ( 1.863 3.765 -10.979) 11.755 12.508 ( -5.732 -8.071 9.550) 13.755 12.924 ( 1.333 -16.777 -3.796) 17.252 13.114 ( 1.705 -3.454 -0.046) 3.852 13.190 ( 1.000 -7.289 -5.070) 8.935 13.614 ( 1.960 3.087 2.199) 4.267 13.670 ( -0.898 2.820 0.530) 3.007 13.742 ( 0.758 3.282 0.521) 3.409 13.851 ( -1.375 -2.103 -1.583) 2.969 14.218 ( -2.196 5.650 4.285) 7.423 14.262 ( 0.176 3.808 2.504) 4.561 14.282 ( -0.761 2.187 0.043) 2.316 14.383 ( -1.865 -3.389 2.793) 4.771 14.544 ( -0.135 3.701 -1.327) 3.934 14.702 ( -0.239 -1.630 -2.411) 2.921 16.822 ( -0.773 13.435 2.960) 13.779 17.000 ( -1.653 9.071 -2.387) 9.524 17.143 ( -0.815 4.108 0.916) 4.287 17.274 ( 1.441 5.711 -1.622) 6.109 17.649 ( -5.328 -1.009 3.133) 6.263 17.735 ( -11.074 -5.721 0.971) 12.503 17.919 ( 3.223 -12.302 -1.157) 12.770 18.000 ( 13.080 -7.545 1.381) 15.163 18.430 ( -3.349 1.106 -0.453) 3.556 18.531 ( 1.944 -4.701 -0.352) 5.100 18.601 ( 0.803 -1.462 3.662) 4.024 18.637 ( -1.358 -1.271 1.234) 2.232 18.930 ( 5.270 3.651 -1.440) 6.571 18.969 ( -0.473 4.863 -2.500) 5.488 19.108 ( 0.140 -2.865 -4.897) 5.675 19.178 ( -4.763 -2.446 -3.075) 6.174 19.538 ( 0.343 0.893 -1.179) 1.518 19.707 ( -4.182 -1.251 -3.039) 5.319 20.023 ( 1.099 6.318 2.595) 6.918 20.165 ( 0.196 -0.776 0.934) 1.230 20.255 ( 1.361 2.792 3.655) 4.797 20.378 ( 2.962 -1.675 2.399) 4.164 20.409 ( 1.734 2.059 -1.331) 3.002 20.609 ( 6.658 -3.737 -2.999) 8.202 22.284 ( -0.958 -0.303 0.571) 1.156 22.293 ( -0.219 -0.533 0.169) 0.601 22.320 ( -1.407 0.680 -0.026) 1.563 22.362 ( -0.414 -1.079 -0.657) 1.329 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -22.700 11.538 0.738) 25.475 1.260 ( -19.789 13.713 4.859) 24.561 1.745 ( -2.247 -7.557 -3.943) 8.815 1.944 ( -3.797 -9.231 1.804) 10.143 2.006 ( -5.656 2.089 0.202) 6.033 2.171 ( -4.681 -5.400 -2.516) 7.576 2.203 ( -15.516 5.614 0.592) 16.511 2.282 ( -13.477 6.536 1.754) 15.081 2.340 ( 1.950 -0.965 -0.891) 2.351 2.372 ( -0.762 -3.536 -3.418) 4.976 2.428 ( -4.010 4.391 -0.087) 5.947 2.484 ( 0.231 0.431 -0.129) 0.506 2.522 ( 0.345 -0.311 0.071) 0.470 2.547 ( 11.113 1.376 0.145) 11.199 2.579 ( 0.786 -0.941 -3.004) 3.244 2.663 ( 1.999 -0.390 1.239) 2.384 2.716 ( -1.968 2.471 0.177) 3.164 2.752 ( -3.426 1.623 -1.787) 4.191 2.778 ( 3.326 -0.089 2.979) 4.466 2.821 ( 2.834 0.096 -2.533) 3.802 2.889 ( -0.903 0.465 0.285) 1.055 2.993 ( 3.635 -2.013 1.950) 4.590 3.038 ( 2.852 -0.069 3.622) 4.611 3.086 ( -3.707 -3.389 0.920) 5.106 3.096 ( 3.361 -2.915 -1.639) 4.741 3.225 ( -2.988 2.372 0.548) 3.854 3.256 ( -1.283 3.671 1.355) 4.118 3.325 ( 2.298 0.347 1.839) 2.963 3.363 ( -3.248 1.994 0.464) 3.839 3.411 ( -6.165 4.743 1.479) 7.918 3.440 ( -1.361 1.741 5.688) 6.102 3.478 ( -3.234 1.035 -4.896) 5.958 3.498 ( -1.523 0.211 -2.540) 2.969 3.583 ( 1.180 4.972 -2.364) 5.630 3.660 ( 2.553 -2.133 2.175) 3.975 3.695 ( 0.302 -3.613 -0.112) 3.628 3.817 ( -14.734 4.139 0.770) 15.324 3.857 ( -1.507 -1.103 -4.415) 4.794 3.873 ( 3.489 -0.809 -0.575) 3.627 3.942 ( 1.950 3.710 -1.512) 4.455 3.988 ( -3.146 -0.505 -0.994) 3.338 4.050 ( -1.754 -1.110 -1.734) 2.704 4.081 ( -0.671 -1.194 -1.594) 2.102 4.090 ( -2.348 -4.711 4.411) 6.868 4.219 ( -6.589 -3.967 1.821) 7.904 4.304 ( -5.402 -4.454 2.936) 7.592 4.319 ( -5.159 -1.040 -4.172) 6.716 4.439 ( -1.087 1.250 -6.225) 6.441 4.522 ( 3.618 0.114 -5.384) 6.488 4.679 ( 1.236 6.567 -2.543) 7.150 4.720 ( -4.856 -4.581 1.784) 6.910 4.778 ( 2.856 3.652 2.284) 5.168 4.846 ( -0.389 4.333 8.280) 9.353 4.869 ( -0.682 3.224 -3.466) 4.783 4.941 ( -0.558 -3.179 -0.390) 3.251 5.082 ( 1.556 -4.378 -0.049) 4.647 5.126 ( -0.994 -1.660 2.217) 2.942 5.214 ( 3.609 -0.148 -1.732) 4.005 5.276 ( 5.213 -5.027 -1.897) 7.486 5.318 ( 6.278 -3.165 0.679) 7.064 5.375 ( 0.446 -3.005 1.583) 3.426 5.428 ( 6.141 -3.047 -2.321) 7.237 5.504 ( 1.185 2.232 -4.877) 5.493 5.593 ( 6.120 1.656 4.685) 7.883 5.614 ( 6.079 -0.215 -0.385) 6.095 5.674 ( 2.941 2.248 -1.935) 4.176 5.776 ( 5.445 7.125 -3.019) 9.462 5.854 ( 3.153 1.769 1.443) 3.893 5.916 ( 0.068 1.749 3.901) 4.276 6.009 ( 5.845 2.174 5.866) 8.562 6.056 ( 6.210 -3.923 1.465) 7.490 6.108 ( 6.407 0.988 -4.608) 7.954 6.265 ( -1.354 0.086 1.579) 2.082 6.311 ( -1.664 -1.114 -1.250) 2.360 6.355 ( 2.808 -1.480 1.372) 3.458 6.417 ( 0.673 3.091 -1.086) 3.344 6.465 ( 1.311 -5.820 3.568) 6.952 6.494 ( -1.350 -0.495 0.172) 1.448 6.657 ( 0.399 1.708 6.021) 6.271 6.761 ( 1.856 -2.347 -0.646) 3.061 6.838 ( -2.279 4.299 0.088) 4.866 6.945 ( 0.667 2.249 4.279) 4.880 6.981 ( -2.797 2.754 -2.592) 4.704 7.022 ( 4.023 4.348 -1.618) 6.140 7.344 ( -0.417 2.094 1.343) 2.522 7.370 ( 0.641 -1.964 0.951) 2.274 7.438 ( 1.901 -1.951 2.054) 3.411 7.552 ( 0.642 3.079 2.032) 3.744 7.641 ( -1.433 2.095 -1.409) 2.903 7.655 ( -2.702 -2.728 -1.471) 4.111 7.792 ( -2.696 1.884 -3.967) 5.153 7.885 ( 0.420 -0.001 -6.360) 6.374 8.040 ( -4.633 -0.203 4.129) 6.210 8.060 ( -4.099 -3.898 4.422) 7.180 8.196 ( -1.797 1.374 0.904) 2.436 8.200 ( 1.204 0.640 -0.613) 1.495 8.293 ( -0.088 0.390 5.987) 6.000 8.321 ( -0.577 1.421 2.602) 3.020 8.350 ( -0.937 -0.655 -1.173) 1.638 8.389 ( -1.434 -2.782 0.657) 3.198 8.496 ( 0.302 -0.632 -1.726) 1.863 8.540 ( -3.497 -2.602 -3.687) 5.709 8.604 ( 2.578 7.462 -6.666) 10.333 8.740 ( 0.864 1.829 -5.654) 6.005 8.810 ( 0.406 0.033 3.207) 3.233 8.913 ( -0.047 -2.155 3.523) 4.131 8.998 ( -1.458 2.722 -1.297) 3.349 9.050 ( 2.776 6.257 -1.351) 6.977 9.127 ( -2.711 3.075 0.165) 4.103 9.174 ( 0.981 -3.834 7.074) 8.106 9.239 ( 0.001 -1.949 -1.404) 2.402 9.270 ( 0.273 -2.021 -3.011) 3.637 9.285 ( -1.319 -0.482 -1.614) 2.140 9.353 ( -0.169 2.995 1.519) 3.363 9.401 ( 0.655 -0.889 0.352) 1.159 9.473 ( -2.396 1.040 1.629) 3.078 9.543 ( -4.010 -0.836 1.172) 4.261 9.605 ( -5.286 -0.715 -1.266) 5.482 9.681 ( -2.272 -3.028 -1.359) 4.022 9.721 ( 1.023 -0.376 -0.326) 1.137 9.784 ( -0.060 -1.617 2.806) 3.239 9.902 ( -0.278 -5.350 0.726) 5.406 9.953 ( -1.817 -6.317 -2.353) 6.981 10.075 ( -0.910 -4.184 0.138) 4.284 10.136 ( 4.454 0.548 2.467) 5.121 10.241 ( 4.083 2.257 0.308) 4.676 10.254 ( 5.591 -0.538 -1.826) 5.906 10.378 ( 1.657 -2.638 -0.141) 3.118 10.598 ( -3.258 6.202 -5.592) 8.964 10.628 ( -0.076 0.694 0.996) 1.216 10.727 ( -2.114 1.972 -1.355) 3.193 10.799 ( -1.517 3.025 5.528) 6.481 11.067 ( -0.638 -0.901 -4.996) 5.116 11.146 ( 0.562 6.439 -2.989) 7.121 11.264 ( -5.238 -8.615 5.781) 11.622 11.854 ( 0.934 -11.894 -6.854) 13.759 11.893 ( 4.135 5.160 4.061) 7.760 12.090 ( 1.379 2.481 -11.323) 11.673 12.436 ( -7.792 -1.085 9.275) 12.162 12.909 ( 0.450 -17.241 -5.669) 18.155 13.184 ( 4.928 -3.480 1.400) 6.193 13.204 ( 4.198 -5.021 -5.267) 8.401 13.588 ( -2.729 3.087 -4.560) 6.146 13.714 ( 2.481 4.700 4.181) 6.762 13.775 ( 1.014 1.346 2.140) 2.724 13.821 ( -0.439 -5.118 -0.640) 5.176 14.202 ( -3.036 3.660 5.654) 7.388 14.267 ( -0.512 2.998 0.067) 3.042 14.296 ( 1.281 3.106 2.381) 4.117 14.377 ( -1.449 -2.943 6.737) 7.494 14.527 ( -0.561 3.592 -1.624) 3.982 14.683 ( 0.092 -1.615 -2.695) 3.144 16.812 ( -2.156 9.622 2.090) 10.080 16.916 ( -5.785 3.768 -2.094) 7.215 17.117 ( -3.019 3.327 0.273) 4.501 17.219 ( -5.327 -0.445 -2.990) 6.125 17.490 ( -10.888 0.042 1.214) 10.955 17.716 ( 6.673 12.201 0.890) 13.935 17.997 ( 5.575 -12.637 0.159) 13.813 18.189 ( 6.047 -7.044 1.276) 9.371 18.332 ( -5.846 1.887 -1.631) 6.356 18.511 ( -5.118 -6.375 -1.803) 8.372 18.631 ( 0.764 0.281 3.457) 3.551 18.644 ( 2.306 -0.178 0.356) 2.340 18.924 ( -2.002 3.912 -7.517) 8.708 18.993 ( 0.046 2.445 4.579) 5.191 19.045 ( -2.558 -3.073 -4.255) 5.839 19.127 ( 2.245 -2.624 -2.916) 4.519 19.523 ( -0.893 5.678 -3.884) 6.937 19.690 ( 4.552 -4.602 3.174) 7.209 20.128 ( 6.740 3.632 2.522) 8.061 20.190 ( 1.661 -1.996 1.060) 2.805 20.329 ( 4.021 3.965 4.180) 7.026 20.451 ( 4.322 5.509 -1.412) 7.143 20.479 ( 5.046 -1.072 2.166) 5.595 20.758 ( 10.751 -3.485 -3.032) 11.702 22.254 ( -2.366 0.206 -0.144) 2.380 22.280 ( -2.075 0.555 0.633) 2.240 22.286 ( -1.502 -0.606 0.059) 1.620 22.339 ( -1.720 -2.174 -0.564) 2.829 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -17.001 20.006 -0.173) 26.255 0.963 ( -19.040 19.711 9.345) 28.954 1.664 ( -14.002 14.232 2.945) 20.181 1.701 ( -10.915 11.297 1.140) 15.750 1.848 ( -9.107 -13.950 1.991) 16.778 1.983 ( -1.820 0.203 -1.718) 2.511 2.081 ( -1.399 -2.962 -3.441) 4.751 2.172 ( -6.721 3.056 -11.751) 13.878 2.225 ( -7.871 -1.018 -3.321) 8.604 2.251 ( -0.720 -0.279 -0.095) 0.778 2.428 ( -0.071 1.177 3.412) 3.610 2.503 ( -2.765 -1.571 -1.801) 3.655 2.533 ( -0.324 -2.895 2.151) 3.621 2.566 ( 2.158 -0.281 -1.028) 2.407 2.622 ( 0.032 -0.235 0.417) 0.480 2.656 ( 0.586 -1.945 -4.521) 4.956 2.688 ( -1.307 -0.700 5.811) 5.997 2.796 ( 6.037 2.716 -1.381) 6.762 2.850 ( -0.256 -1.078 -1.672) 2.005 2.868 ( 1.173 2.236 1.581) 2.979 2.965 ( 5.822 -0.102 -1.087) 5.923 3.021 ( -1.951 3.718 -0.247) 4.206 3.063 ( 3.159 -0.492 -1.847) 3.693 3.125 ( 3.677 0.225 -0.691) 3.748 3.135 ( -3.821 5.884 1.513) 7.177 3.172 ( 2.255 -1.935 -0.108) 2.973 3.230 ( -6.101 -1.011 0.252) 6.190 3.284 ( 1.700 -0.859 -0.143) 1.910 3.343 ( -4.759 2.176 2.539) 5.817 3.373 ( -2.393 -1.132 0.046) 2.647 3.411 ( 0.289 7.506 -2.363) 7.874 3.441 ( -1.101 -5.755 5.183) 7.823 3.487 ( 2.720 2.301 2.774) 4.515 3.569 ( -4.753 2.214 1.393) 5.425 3.593 ( -4.786 2.758 1.219) 5.656 3.704 ( -1.015 -2.269 -3.009) 3.903 3.741 ( 0.888 -2.324 -0.199) 2.496 3.800 ( -0.690 -1.646 -2.701) 3.238 3.860 ( -2.808 -10.790 -2.444) 11.414 3.917 ( -4.671 -2.230 0.182) 5.179 3.940 ( -4.535 1.440 -2.208) 5.246 3.989 ( 0.205 1.464 4.682) 4.909 4.091 ( -0.155 -4.405 -3.662) 5.731 4.132 ( 3.714 -3.058 -0.327) 4.822 4.171 ( -0.177 -4.346 5.337) 6.885 4.211 ( 0.298 0.437 -0.856) 1.007 4.295 ( 0.939 3.001 2.150) 3.809 4.346 ( -1.235 3.263 -6.462) 7.344 4.568 ( 0.612 -7.195 -1.586) 7.393 4.570 ( -6.092 -2.490 -4.626) 8.045 4.688 ( -3.299 2.500 0.215) 4.145 4.761 ( -4.256 -1.655 -1.892) 4.943 4.861 ( 3.342 3.799 -1.987) 5.436 4.912 ( 2.433 1.433 4.402) 5.229 4.988 ( 4.000 -2.492 3.268) 5.735 5.105 ( 1.185 -5.432 0.955) 5.641 5.130 ( 2.943 -3.828 0.118) 4.830 5.169 ( -5.626 -1.053 -0.948) 5.801 5.273 ( -1.309 -0.649 -1.989) 2.468 5.401 ( 0.391 -3.628 -2.080) 4.200 5.428 ( 0.436 -6.000 -2.872) 6.666 5.475 ( 4.169 -2.788 1.389) 5.205 5.553 ( 6.572 4.214 -3.364) 8.501 5.701 ( 2.906 7.517 -1.064) 8.129 5.750 ( 4.744 1.804 3.020) 5.906 5.767 ( 4.847 1.011 2.334) 5.474 5.846 ( 2.461 3.704 -1.327) 4.640 5.897 ( 1.728 0.525 1.070) 2.099 5.989 ( 8.619 5.380 -3.205) 10.654 6.119 ( 3.632 5.855 -5.578) 8.865 6.190 ( 5.195 1.642 3.616) 6.539 6.209 ( 1.532 2.400 0.996) 3.016 6.266 ( 3.640 -1.067 3.291) 5.022 6.291 ( 2.128 -1.797 0.905) 2.928 6.404 ( 1.484 -3.518 -0.552) 3.858 6.426 ( 0.992 1.745 2.359) 3.097 6.452 ( -2.862 -1.515 0.143) 3.242 6.568 ( 5.444 -3.769 5.215) 8.429 6.718 ( 1.565 2.247 7.703) 8.175 6.776 ( -4.961 1.322 1.259) 5.286 6.795 ( 0.223 1.659 0.192) 1.685 6.836 ( -4.141 1.607 -0.517) 4.472 7.048 ( 5.430 2.725 0.380) 6.087 7.131 ( 6.450 6.966 2.712) 9.873 7.264 ( -4.095 2.037 -0.555) 4.607 7.439 ( -2.699 -0.755 -0.104) 2.805 7.471 ( 4.412 0.652 2.496) 5.111 7.514 ( -8.751 1.567 -2.668) 9.282 7.546 ( -1.075 -0.302 -2.114) 2.391 7.702 ( 4.047 -3.717 -1.699) 5.752 7.707 ( -2.862 1.888 0.363) 3.448 7.864 ( 1.652 -1.002 -4.972) 5.334 7.965 ( -5.122 -1.392 1.263) 5.456 8.005 ( -2.757 -3.932 3.424) 5.898 8.140 ( -4.511 -0.931 -1.601) 4.877 8.193 ( -2.444 1.260 0.617) 2.818 8.274 ( -2.248 1.936 -0.018) 2.967 8.303 ( -0.987 2.271 -1.702) 3.005 8.335 ( -1.182 -0.366 -0.384) 1.296 8.445 ( 3.689 -0.449 4.514) 5.847 8.494 ( -0.039 -4.298 0.232) 4.304 8.515 ( 3.030 -0.921 -1.647) 3.569 8.643 ( 4.985 5.275 -2.180) 7.578 8.752 ( 2.176 4.564 0.193) 5.060 8.825 ( -0.726 2.907 -0.489) 3.036 8.930 ( -2.853 0.595 1.590) 3.320 8.960 ( -0.338 -2.484 4.444) 5.102 9.052 ( -1.614 2.985 0.110) 3.395 9.084 ( -2.566 7.224 1.001) 7.732 9.137 ( -10.092 -5.397 2.463) 11.706 9.201 ( -2.290 -1.851 0.343) 2.964 9.233 ( -1.294 0.717 -2.301) 2.736 9.280 ( -0.109 1.627 -0.377) 1.674 9.378 ( 0.917 0.439 -0.318) 1.065 9.413 ( 0.351 0.066 -1.638) 1.677 9.424 ( -0.593 1.795 -1.417) 2.363 9.497 ( -0.725 -2.324 -0.664) 2.524 9.565 ( -0.340 0.158 0.104) 0.389 9.642 ( -0.303 -4.368 -1.379) 4.590 9.715 ( -0.442 -1.931 -2.277) 3.018 9.789 ( -1.931 -2.417 0.507) 3.135 9.899 ( -0.481 -8.067 -0.130) 8.083 9.912 ( -0.940 -6.886 -0.140) 6.951 10.043 ( -3.957 -6.554 -0.492) 7.672 10.206 ( 3.401 -0.476 -2.634) 4.328 10.317 ( 1.373 0.745 2.628) 3.057 10.322 ( 4.274 -2.812 -3.721) 6.326 10.405 ( 3.527 -0.073 -2.620) 4.394 10.500 ( -3.535 7.147 -2.411) 8.330 10.624 ( -4.360 1.389 2.608) 5.267 10.658 ( -1.369 2.551 -3.309) 4.397 10.808 ( -1.455 2.437 4.905) 5.667 10.991 ( -3.828 -2.896 -3.947) 6.214 11.129 ( -1.116 3.009 0.108) 3.211 11.210 ( -3.165 -4.828 1.783) 6.042 11.771 ( -3.283 -13.799 -8.360) 16.464 11.959 ( 0.671 3.255 1.529) 3.659 12.052 ( 1.169 1.301 -6.334) 6.571 12.387 ( -3.025 6.864 6.799) 10.124 12.851 ( -1.616 -7.881 -9.533) 12.474 13.266 ( 5.360 -2.234 -2.541) 6.339 13.293 ( 5.790 -3.978 0.995) 7.095 13.499 ( -3.816 1.994 -2.818) 5.146 13.748 ( -1.994 -2.008 -1.717) 3.310 13.773 ( 0.805 3.232 3.017) 4.494 13.873 ( 2.827 -1.988 4.997) 6.075 14.188 ( -3.078 2.215 7.810) 8.682 14.259 ( -0.444 3.225 -0.106) 3.257 14.315 ( -0.294 0.813 1.283) 1.547 14.440 ( 0.975 -5.117 10.774) 11.968 14.511 ( 0.120 3.478 -1.555) 3.812 14.675 ( 0.850 -1.921 -1.934) 2.856 16.760 ( -4.176 4.190 -1.034) 6.006 16.809 ( -3.580 4.764 -0.201) 5.963 17.027 ( -4.844 -1.950 -1.610) 5.464 17.109 ( -5.597 -2.575 -1.232) 6.283 17.346 ( -4.908 9.345 0.744) 10.582 17.858 ( 9.936 15.679 -11.372) 21.769 18.112 ( 5.740 -8.001 1.473) 9.957 18.206 ( -3.891 -0.924 0.270) 4.008 18.275 ( -0.488 -4.008 0.063) 4.038 18.373 ( -6.239 -8.518 0.357) 10.565 18.665 ( 0.380 1.852 0.498) 1.955 18.699 ( 3.770 1.031 -0.760) 3.982 18.763 ( -6.908 6.325 -19.046) 21.225 18.917 ( -6.927 -1.437 -1.304) 7.194 19.071 ( 3.600 -1.447 0.799) 3.961 19.166 ( 2.384 -2.912 -1.401) 4.016 19.613 ( 11.019 7.040 13.447) 18.756 19.851 ( 8.679 -6.681 3.685) 11.556 20.202 ( 1.311 -2.132 -1.108) 2.737 20.250 ( 1.975 -2.718 3.030) 4.525 20.448 ( 4.173 4.480 5.405) 8.168 20.518 ( 4.052 9.440 -1.400) 10.367 20.578 ( 3.647 -0.220 4.251) 5.605 20.934 ( 10.542 -3.356 -3.377) 11.567 22.208 ( -2.110 0.783 -0.234) 2.263 22.244 ( -1.891 0.250 0.322) 1.934 22.263 ( -1.245 -0.370 0.030) 1.299 22.290 ( -3.438 -3.377 -0.378) 4.834 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.813 -22.846 -7.152) 23.953 1.213 ( 0.813 22.846 -7.152) 23.953 1.280 ( -1.775 -18.977 1.872) 19.151 1.280 ( -1.775 18.977 1.872) 19.151 1.974 ( 2.074 -2.194 -6.651) 7.305 1.974 ( 2.074 2.194 -6.651) 7.305 2.080 ( -1.317 -1.558 -2.986) 3.616 2.080 ( -1.317 1.558 -2.986) 3.616 2.329 ( 0.837 -4.338 0.796) 4.489 2.329 ( 0.837 4.338 0.796) 4.489 2.502 ( -4.079 -3.049 1.558) 5.325 2.502 ( -4.079 3.049 1.558) 5.325 2.601 ( 2.597 -4.216 3.430) 6.024 2.601 ( 2.597 4.216 3.430) 6.024 2.646 ( 3.199 -10.147 6.264) 12.346 2.646 ( 3.199 10.147 6.264) 12.346 2.719 ( 0.850 -18.629 6.683) 19.809 2.719 ( 0.850 18.629 6.683) 19.809 2.902 ( -1.456 -0.351 -3.776) 4.063 2.902 ( -1.456 0.351 -3.776) 4.063 3.001 ( -0.073 -0.290 -1.324) 1.357 3.001 ( -0.073 0.290 -1.324) 1.357 3.080 ( -1.510 -2.617 -1.887) 3.562 3.080 ( -1.510 2.617 -1.887) 3.562 3.134 ( -1.663 -3.957 0.623) 4.338 3.134 ( -1.663 3.957 0.623) 4.338 3.190 ( 2.225 -4.000 -2.321) 5.132 3.190 ( 2.225 4.000 -2.321) 5.132 3.291 ( -0.427 -2.855 -1.569) 3.286 3.291 ( -0.427 2.855 -1.569) 3.286 3.382 ( -2.453 -0.975 3.345) 4.261 3.382 ( -2.453 0.975 3.345) 4.261 3.524 ( -0.775 -1.413 2.811) 3.240 3.524 ( -0.775 1.413 2.811) 3.240 3.671 ( 4.071 -5.451 -3.854) 7.820 3.671 ( 4.071 5.451 -3.854) 7.820 3.733 ( 1.486 -1.737 -0.036) 2.286 3.733 ( 1.486 1.737 -0.036) 2.286 3.796 ( -2.794 -3.972 3.610) 6.051 3.796 ( -2.794 3.972 3.610) 6.051 3.965 ( -0.805 -6.416 5.528) 8.507 3.965 ( -0.805 6.416 5.528) 8.507 4.123 ( -1.159 -1.848 0.126) 2.185 4.123 ( -1.159 1.848 0.126) 2.185 4.216 ( 0.044 -8.299 -3.636) 9.061 4.216 ( 0.044 8.299 -3.636) 9.061 4.376 ( 4.618 -3.104 1.618) 5.795 4.376 ( 4.618 3.104 1.618) 5.795 4.442 ( 0.339 -5.055 -3.996) 6.453 4.442 ( 0.339 5.055 -3.996) 6.453 4.630 ( -2.116 -1.232 -6.268) 6.729 4.630 ( -2.116 1.232 -6.268) 6.729 4.920 ( 0.360 -5.021 -1.742) 5.327 4.920 ( 0.360 5.021 -1.742) 5.327 5.030 ( 0.963 -0.968 -0.184) 1.378 5.030 ( 0.963 0.968 -0.184) 1.378 5.115 ( -1.221 -2.019 0.466) 2.405 5.115 ( -1.221 2.019 0.466) 2.405 5.238 ( -1.591 -1.290 -7.025) 7.317 5.238 ( -1.591 1.290 -7.025) 7.317 5.409 ( 0.680 -3.534 2.926) 4.638 5.409 ( 0.680 3.534 2.926) 4.638 5.727 ( -0.744 -4.385 0.164) 4.451 5.727 ( -0.744 4.385 0.164) 4.451 5.860 ( 0.769 -1.256 3.921) 4.188 5.860 ( 0.769 1.256 3.921) 4.188 5.934 ( 1.167 -4.366 -5.263) 6.937 5.934 ( 1.167 4.366 -5.263) 6.937 6.168 ( -1.689 -4.514 -0.208) 4.824 6.168 ( -1.689 4.514 -0.208) 4.824 6.251 ( 0.549 -4.055 -3.889) 5.645 6.251 ( 0.549 4.055 -3.889) 5.645 6.289 ( 1.289 -3.312 1.177) 3.744 6.289 ( 1.289 3.312 1.177) 3.744 6.357 ( -0.459 -2.793 -1.111) 3.041 6.357 ( -0.459 2.793 -1.111) 3.041 6.606 ( -6.916 -3.692 6.113) 9.941 6.606 ( -6.916 3.692 6.113) 9.941 6.660 ( 2.751 -5.722 2.773) 6.928 6.660 ( 2.751 5.722 2.773) 6.928 6.917 ( 2.121 -1.701 9.439) 9.823 6.917 ( 2.121 1.701 9.439) 9.823 7.264 ( 3.941 -0.738 -2.338) 4.641 7.264 ( 3.941 0.738 -2.338) 4.641 7.341 ( -2.180 -1.967 3.138) 4.297 7.341 ( -2.180 1.967 3.138) 4.297 7.404 ( -2.220 -3.609 -3.106) 5.253 7.404 ( -2.220 3.609 -3.106) 5.253 7.583 ( -1.807 -4.692 -0.241) 5.033 7.583 ( -1.807 4.692 -0.241) 5.033 7.806 ( 2.214 -2.531 -4.425) 5.557 7.806 ( 2.214 2.531 -4.425) 5.557 7.935 ( 2.705 -3.695 2.965) 5.455 7.935 ( 2.705 3.695 2.965) 5.455 8.114 ( -2.698 -3.376 -1.265) 4.503 8.114 ( -2.698 3.376 -1.265) 4.503 8.290 ( 1.400 -4.056 2.758) 5.101 8.290 ( 1.400 4.056 2.758) 5.101 8.391 ( -2.121 -1.519 0.587) 2.674 8.391 ( -2.121 1.519 0.587) 2.674 8.526 ( 1.200 -2.630 1.105) 3.095 8.526 ( 1.200 2.630 1.105) 3.095 8.738 ( -5.777 -1.021 -0.954) 5.944 8.738 ( -5.777 1.021 -0.954) 5.944 8.878 ( -3.443 -0.901 2.793) 4.524 8.878 ( -3.443 0.901 2.793) 4.524 8.980 ( 4.462 -2.752 4.302) 6.782 8.980 ( 4.462 2.752 4.302) 6.782 9.134 ( 1.561 -4.260 -1.548) 4.794 9.134 ( 1.561 4.260 -1.548) 4.794 9.204 ( -0.498 -1.030 -1.534) 1.914 9.204 ( -0.498 1.030 -1.534) 1.914 9.312 ( 0.261 -2.444 -1.204) 2.737 9.312 ( 0.261 2.444 -1.204) 2.737 9.448 ( 2.234 -3.471 -2.103) 4.633 9.448 ( 2.234 3.471 -2.103) 4.633 9.560 ( -1.294 -1.457 -1.099) 2.237 9.560 ( -1.294 1.457 -1.099) 2.237 9.581 ( 0.285 -4.227 -5.752) 7.144 9.581 ( 0.285 4.227 -5.752) 7.144 9.683 ( -0.177 -2.665 -1.416) 3.023 9.683 ( -0.177 2.665 -1.416) 3.023 9.936 ( 0.645 -1.640 6.392) 6.630 9.936 ( 0.645 1.640 6.392) 6.630 10.260 ( 1.595 -2.703 -2.453) 3.983 10.260 ( 1.595 2.703 -2.453) 3.983 10.396 ( -1.265 -1.820 0.974) 2.421 10.396 ( -1.265 1.820 0.974) 2.421 10.599 ( 0.217 -1.622 1.622) 2.305 10.599 ( 0.217 1.622 1.622) 2.305 10.721 ( -0.128 -7.001 -5.434) 8.863 10.721 ( -0.128 7.001 -5.434) 8.863 10.992 ( -0.325 -7.350 5.471) 9.168 10.992 ( -0.325 7.350 5.471) 9.168 11.398 ( 0.672 -12.667 -7.342) 14.657 11.398 ( 0.672 12.667 -7.342) 14.657 12.030 ( 0.083 -3.150 -0.918) 3.282 12.030 ( 0.083 3.150 -0.918) 3.282 12.621 ( -0.186 -10.904 -0.336) 10.911 12.621 ( -0.186 10.904 -0.336) 10.911 13.328 ( 1.044 -0.927 1.293) 1.903 13.328 ( 1.044 0.927 1.293) 1.903 13.526 ( -0.371 -6.612 -5.061) 8.335 13.526 ( -0.371 6.612 -5.061) 8.335 13.925 ( 1.867 -2.592 4.634) 5.628 13.925 ( 1.867 2.592 4.634) 5.628 14.287 ( -1.583 -3.472 4.622) 5.993 14.287 ( -1.583 3.472 4.622) 5.993 14.314 ( -2.653 -2.369 2.936) 4.612 14.314 ( -2.653 2.369 2.936) 4.612 14.614 ( 1.255 -4.613 -0.751) 4.840 14.614 ( 1.255 4.613 -0.751) 4.840 16.862 ( 1.234 -6.559 -0.044) 6.674 16.862 ( 1.234 6.559 -0.044) 6.674 16.899 ( -0.487 -6.524 -0.803) 6.592 16.899 ( -0.487 6.524 -0.803) 6.592 17.768 ( 0.341 -20.177 1.057) 20.207 17.768 ( 0.341 20.177 1.057) 20.207 18.152 ( 2.949 -0.663 -0.942) 3.166 18.152 ( 2.949 0.663 -0.942) 3.166 18.206 ( -2.537 -0.789 2.112) 3.394 18.206 ( -2.537 0.789 2.112) 3.394 18.678 ( -5.004 -6.531 -9.755) 12.761 18.678 ( -5.004 6.531 -9.755) 12.761 18.783 ( 2.055 -1.913 -1.634) 3.248 18.783 ( 2.055 1.913 -1.634) 3.248 19.107 ( 1.515 -2.038 -2.972) 3.909 19.107 ( 1.515 2.038 -2.972) 3.909 19.869 ( 1.534 -2.024 6.442) 6.925 19.869 ( 1.534 2.024 6.442) 6.925 20.213 ( 0.516 -1.336 0.867) 1.674 20.213 ( 0.516 1.336 0.867) 1.674 20.563 ( -2.173 -2.736 1.032) 3.643 20.563 ( -2.173 2.736 1.032) 3.643 20.844 ( 1.470 -10.788 -0.881) 10.923 20.844 ( 1.470 10.788 -0.881) 10.923 22.209 ( -0.028 -0.883 0.132) 0.893 22.209 ( -0.028 0.883 0.132) 0.893 22.237 ( -0.058 -0.635 0.011) 0.637 22.237 ( -0.058 0.635 0.011) 0.637 ======================= Grid point 51 (28/54) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 8.631 -15.920 -4.572) 18.677 1.246 ( 8.631 15.920 -4.572) 18.677 1.439 ( 14.948 -17.398 3.605) 23.219 1.439 ( 14.948 17.398 3.605) 23.219 2.000 ( 5.273 -3.361 -7.163) 9.508 2.000 ( 5.273 3.361 -7.163) 9.508 2.108 ( 5.314 -1.391 -1.570) 5.713 2.108 ( 5.314 1.391 -1.570) 5.713 2.296 ( -5.735 -2.684 -2.444) 6.788 2.296 ( -5.735 2.684 -2.444) 6.788 2.458 ( -0.272 -5.142 -0.859) 5.220 2.458 ( -0.272 5.142 -0.859) 5.220 2.599 ( -5.087 -1.049 0.681) 5.238 2.599 ( -5.087 1.049 0.681) 5.238 2.697 ( 0.853 -1.441 0.717) 1.822 2.697 ( 0.853 1.441 0.717) 1.822 2.784 ( -3.795 -8.838 2.106) 9.846 2.784 ( -3.795 8.838 2.106) 9.846 2.846 ( -2.099 -4.738 0.088) 5.183 2.846 ( -2.099 4.738 0.088) 5.183 2.971 ( -0.863 -6.809 1.256) 6.977 2.971 ( -0.863 6.809 1.256) 6.977 3.058 ( 0.225 -5.609 1.625) 5.844 3.058 ( 0.225 5.609 1.625) 5.844 3.181 ( 5.006 -3.885 0.444) 6.353 3.181 ( 5.006 3.885 0.444) 6.353 3.235 ( 4.243 -7.337 4.058) 9.397 3.235 ( 4.243 7.337 4.058) 9.397 3.316 ( 5.849 -4.939 0.264) 7.660 3.316 ( 5.849 4.939 0.264) 7.660 3.412 ( 4.170 -3.248 2.142) 5.703 3.412 ( 4.170 3.248 2.142) 5.703 3.549 ( 0.965 -2.209 1.759) 2.984 3.549 ( 0.965 2.209 1.759) 2.984 3.709 ( 3.077 -1.418 -2.684) 4.322 3.709 ( 3.077 1.418 -2.684) 4.322 3.738 ( -1.643 -3.394 0.691) 3.834 3.738 ( -1.643 3.394 0.691) 3.834 3.872 ( 5.474 -2.182 3.918) 7.076 3.872 ( 5.474 2.182 3.918) 7.076 3.976 ( -0.662 -4.201 3.257) 5.357 3.976 ( -0.662 4.201 3.257) 5.357 4.072 ( -0.151 -2.201 -2.001) 2.979 4.072 ( -0.151 2.201 -2.001) 2.979 4.248 ( 2.438 -1.604 -0.640) 2.987 4.248 ( 2.438 1.604 -0.640) 2.987 4.386 ( -0.225 -4.932 -4.288) 6.539 4.386 ( -0.225 4.932 -4.288) 6.539 4.485 ( 4.273 -7.224 -0.746) 8.426 4.485 ( 4.273 7.224 -0.746) 8.426 4.568 ( -1.115 -2.966 -7.585) 8.220 4.568 ( -1.115 2.966 -7.585) 8.220 4.902 ( -0.829 -3.841 -5.490) 6.751 4.902 ( -0.829 3.841 -5.490) 6.751 5.040 ( -1.270 -1.807 -1.165) 2.497 5.040 ( -1.270 1.807 -1.165) 2.497 5.082 ( -0.304 -4.947 3.851) 6.276 5.082 ( -0.304 4.947 3.851) 6.276 5.190 ( 1.327 -3.759 -4.939) 6.347 5.190 ( 1.327 3.759 -4.939) 6.347 5.426 ( -1.004 -1.342 1.687) 2.378 5.426 ( -1.004 1.342 1.687) 2.378 5.644 ( -6.630 -3.862 -0.974) 7.734 5.644 ( -6.630 3.862 -0.974) 7.734 5.855 ( -4.871 -0.807 3.575) 6.095 5.855 ( -4.871 0.807 3.575) 6.095 5.912 ( -2.543 -0.820 -2.854) 3.909 5.912 ( -2.543 0.820 -2.854) 3.909 6.116 ( -1.856 -3.459 1.283) 4.130 6.116 ( -1.856 3.459 1.283) 4.130 6.216 ( -4.238 -7.680 0.110) 8.772 6.216 ( -4.238 7.680 0.110) 8.772 6.260 ( -0.571 -0.174 -1.514) 1.627 6.260 ( -0.571 0.174 -1.514) 1.627 6.386 ( -2.690 -6.359 0.966) 6.972 6.386 ( -2.690 6.359 0.966) 6.972 6.474 ( -2.935 -1.586 2.706) 4.296 6.474 ( -2.935 1.586 2.706) 4.296 6.744 ( -0.069 -4.579 5.227) 6.950 6.744 ( -0.069 4.579 5.227) 6.950 6.953 ( -3.783 -1.429 4.157) 5.799 6.953 ( -3.783 1.429 4.157) 5.799 7.248 ( -2.949 -3.083 -0.540) 4.301 7.248 ( -2.949 3.083 -0.540) 4.301 7.273 ( -3.726 -5.534 1.528) 6.845 7.273 ( -3.726 5.534 1.528) 6.845 7.482 ( 3.606 -3.602 -1.386) 5.282 7.482 ( 3.606 3.602 -1.386) 5.282 7.554 ( 3.786 -1.965 -1.203) 4.432 7.554 ( 3.786 1.965 -1.203) 4.432 7.822 ( 3.575 -1.573 -4.978) 6.327 7.822 ( 3.575 1.573 -4.978) 6.327 8.000 ( 0.450 -2.219 2.516) 3.385 8.000 ( 0.450 2.219 2.516) 3.385 8.132 ( 4.700 -1.569 0.230) 4.961 8.132 ( 4.700 1.569 0.230) 4.961 8.304 ( -3.902 -2.045 -2.370) 5.002 8.304 ( -3.902 2.045 -2.370) 5.002 8.360 ( 1.857 -9.914 4.190) 10.922 8.360 ( 1.857 9.914 4.190) 10.922 8.537 ( -1.238 -4.645 4.070) 6.299 8.537 ( -1.238 4.645 4.070) 6.299 8.707 ( 3.768 -2.729 -1.582) 4.914 8.707 ( 3.768 2.729 -1.582) 4.914 8.857 ( -2.239 -1.284 4.177) 4.910 8.857 ( -2.239 1.284 4.177) 4.910 9.018 ( -2.566 -0.946 -1.946) 3.357 9.018 ( -2.566 0.946 -1.946) 3.357 9.134 ( 0.962 -1.585 -2.358) 2.999 9.134 ( 0.962 1.585 -2.358) 2.999 9.264 ( 5.252 -3.335 -0.843) 6.278 9.264 ( 5.252 3.335 -0.843) 6.278 9.336 ( 3.517 -2.931 -0.057) 4.579 9.336 ( 3.517 2.931 -0.057) 4.579 9.446 ( 0.350 -2.553 -1.571) 3.019 9.446 ( 0.350 2.553 -1.571) 3.019 9.517 ( -3.289 -2.377 1.890) 4.477 9.517 ( -3.289 2.377 1.890) 4.477 9.563 ( 1.255 -4.461 -4.125) 6.204 9.563 ( 1.255 4.461 -4.125) 6.204 9.705 ( 2.863 -1.594 -1.940) 3.808 9.705 ( 2.863 1.594 -1.940) 3.808 10.003 ( 2.100 -4.044 4.384) 6.323 10.003 ( 2.100 4.044 4.384) 6.323 10.251 ( -0.209 -2.878 -3.589) 4.605 10.251 ( -0.209 2.878 -3.589) 4.605 10.339 ( -5.018 -3.611 1.398) 6.338 10.339 ( -5.018 3.611 1.398) 6.338 10.640 ( 2.467 -0.666 1.737) 3.090 10.640 ( 2.467 0.666 1.737) 3.090 10.714 ( 2.683 -5.949 -4.431) 7.888 10.714 ( 2.683 5.949 -4.431) 7.888 11.041 ( 1.424 -7.416 5.445) 9.310 11.041 ( 1.424 7.416 5.445) 9.310 11.384 ( 3.116 -13.070 -7.853) 15.563 11.384 ( 3.116 13.070 -7.853) 15.563 12.018 ( -0.696 -5.914 -1.645) 6.178 12.018 ( -0.696 5.914 -1.645) 6.178 12.619 ( 0.138 -10.143 0.717) 10.169 12.619 ( 0.138 10.143 0.717) 10.169 13.261 ( -6.849 -2.687 -0.010) 7.357 13.261 ( -6.849 2.687 -0.010) 7.357 13.549 ( 3.922 -4.774 -2.955) 6.849 13.549 ( 3.922 4.774 -2.955) 6.849 13.971 ( -0.534 -3.134 4.093) 5.183 13.971 ( -0.534 3.134 4.093) 5.183 14.259 ( -1.956 -2.762 1.597) 3.743 14.259 ( -1.956 2.762 1.597) 3.743 14.316 ( -0.753 -3.547 4.743) 5.971 14.316 ( -0.753 3.547 4.743) 5.971 14.632 ( 1.091 -4.942 -0.699) 5.110 14.632 ( 1.091 4.942 -0.699) 5.110 16.889 ( 3.658 -5.519 -0.659) 6.654 16.889 ( 3.658 5.519 -0.659) 6.654 16.991 ( 8.323 -6.114 -0.176) 10.329 16.991 ( 8.323 6.114 -0.176) 10.329 17.741 ( -3.503 -14.103 1.107) 14.574 17.741 ( -3.503 14.103 1.107) 14.574 18.131 ( -7.474 -8.702 0.408) 11.478 18.131 ( -7.474 8.702 0.408) 11.478 18.236 ( 6.123 -2.173 -1.686) 6.713 18.236 ( 6.123 2.173 -1.686) 6.713 18.550 ( -1.399 -5.386 -5.828) 8.058 18.550 ( -1.399 5.386 -5.828) 8.058 18.839 ( 4.609 -5.420 -1.527) 7.277 18.839 ( 4.609 5.420 -1.527) 7.277 19.110 ( 0.937 -1.387 -2.562) 3.060 19.110 ( 0.937 1.387 -2.562) 3.060 19.858 ( -5.594 -4.440 5.252) 8.865 19.858 ( -5.594 4.440 5.252) 8.865 20.224 ( -0.496 -1.366 1.447) 2.051 20.224 ( -0.496 1.366 1.447) 2.051 20.483 ( -6.878 -3.182 0.783) 7.619 20.483 ( -6.878 3.182 0.783) 7.619 20.796 ( -5.857 -8.680 -0.773) 10.500 20.796 ( -5.857 8.680 -0.773) 10.500 22.231 ( 1.747 -0.829 -0.015) 1.933 22.231 ( 1.747 0.829 -0.015) 1.933 22.255 ( 2.177 -1.021 0.049) 2.405 22.255 ( 2.177 1.021 0.049) 2.405 ======================= Grid point 53 (29/54) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 16.506 -7.164 -0.470) 18.000 1.466 ( 16.506 7.164 -0.470) 18.000 1.764 ( 14.204 -13.327 8.102) 21.095 1.764 ( 14.204 13.327 8.102) 21.095 2.029 ( -1.458 -4.225 -3.985) 5.988 2.029 ( -1.458 4.225 -3.985) 5.988 2.153 ( 4.301 -8.785 -5.828) 11.386 2.153 ( 4.301 8.785 -5.828) 11.386 2.229 ( -1.127 -4.656 -2.694) 5.496 2.229 ( -1.127 4.656 -2.694) 5.496 2.410 ( -1.676 -4.568 -2.288) 5.377 2.410 ( -1.676 4.568 -2.288) 5.377 2.447 ( -8.377 -1.210 -1.000) 8.523 2.447 ( -8.377 1.210 -1.000) 8.523 2.658 ( -5.052 -3.796 -3.805) 7.376 2.658 ( -5.052 3.796 -3.805) 7.376 2.713 ( -4.185 -2.667 -1.678) 5.238 2.713 ( -4.185 2.667 -1.678) 5.238 2.822 ( 4.021 -1.668 2.807) 5.180 2.822 ( 4.021 1.668 2.807) 5.180 3.002 ( -1.656 -4.874 0.584) 5.180 3.002 ( -1.656 4.874 0.584) 5.180 3.101 ( 3.069 -2.614 0.521) 4.065 3.101 ( 3.069 2.614 0.521) 4.065 3.197 ( 0.753 -3.818 4.665) 6.075 3.197 ( 0.753 3.818 4.665) 6.075 3.393 ( 5.893 -1.411 4.629) 7.625 3.393 ( 5.893 1.411 4.629) 7.625 3.478 ( 3.784 -4.737 0.890) 6.128 3.478 ( 3.784 4.737 0.890) 6.128 3.547 ( 5.573 -1.856 -2.454) 6.366 3.547 ( 5.573 1.856 -2.454) 6.366 3.612 ( 8.257 -6.820 5.104) 11.863 3.612 ( 8.257 6.820 5.104) 11.863 3.687 ( -1.546 -1.671 0.743) 2.395 3.687 ( -1.546 1.671 0.743) 2.395 3.774 ( 2.271 -4.036 1.615) 4.905 3.774 ( 2.271 4.036 1.615) 4.905 3.911 ( 2.341 -1.060 -0.602) 2.640 3.911 ( 2.341 1.060 -0.602) 2.640 4.022 ( 2.875 -3.860 5.189) 7.077 4.022 ( 2.875 3.860 5.189) 7.077 4.156 ( 7.375 -3.008 -0.080) 7.965 4.156 ( 7.375 3.008 -0.080) 7.965 4.278 ( -0.275 -2.773 -1.799) 3.317 4.278 ( -0.275 2.773 -1.799) 3.317 4.357 ( 0.066 -2.639 -3.006) 4.001 4.357 ( 0.066 2.639 -3.006) 4.001 4.497 ( 0.843 -4.553 -7.539) 8.847 4.497 ( 0.843 4.553 -7.539) 8.847 4.552 ( 4.689 -8.241 -2.809) 9.889 4.552 ( 4.689 8.241 -2.809) 9.889 4.827 ( -0.532 -7.611 -8.743) 11.604 4.827 ( -0.532 7.611 -8.743) 11.604 4.969 ( -5.675 -3.199 1.796) 6.758 4.969 ( -5.675 3.199 1.796) 6.758 5.159 ( 3.701 -4.043 2.961) 6.230 5.159 ( 3.701 4.043 2.961) 6.230 5.211 ( 1.435 -8.007 -2.140) 8.411 5.211 ( 1.435 8.007 -2.140) 8.411 5.409 ( 0.054 -2.105 -1.707) 2.711 5.409 ( 0.054 2.105 -1.707) 2.711 5.509 ( -7.367 -4.879 2.514) 9.187 5.509 ( -7.367 4.879 2.514) 9.187 5.754 ( -7.471 -1.350 1.442) 7.728 5.754 ( -7.471 1.350 1.442) 7.728 5.788 ( -8.427 -1.632 0.825) 8.623 5.788 ( -8.427 1.632 0.825) 8.623 6.036 ( -8.087 -5.866 0.752) 10.019 6.036 ( -8.087 5.866 0.752) 10.019 6.193 ( -2.950 -3.447 -0.866) 4.619 6.193 ( -2.950 3.447 -0.866) 4.619 6.256 ( 1.194 -1.339 2.771) 3.301 6.256 ( 1.194 1.339 2.771) 3.301 6.288 ( -2.340 -2.366 0.551) 3.373 6.288 ( -2.340 2.366 0.551) 3.373 6.529 ( 3.057 -2.963 2.341) 4.858 6.529 ( 3.057 2.963 2.341) 4.858 6.708 ( -6.395 -0.830 2.971) 7.100 6.708 ( -6.395 0.830 2.971) 7.100 6.886 ( -2.064 -2.244 -2.222) 3.773 6.886 ( -2.064 2.244 -2.222) 3.773 7.175 ( -5.957 -4.057 2.325) 7.573 7.175 ( -5.957 4.057 2.325) 7.573 7.245 ( -0.003 -5.525 0.280) 5.532 7.245 ( -0.003 5.525 0.280) 5.532 7.484 ( 0.024 -2.535 1.010) 2.729 7.484 ( 0.024 2.535 1.010) 2.729 7.675 ( 5.937 -3.504 -1.659) 7.091 7.675 ( 5.937 3.504 -1.659) 7.091 7.858 ( 3.424 -1.637 -4.791) 6.112 7.858 ( 3.424 1.637 -4.791) 6.112 8.013 ( -0.047 -2.714 2.912) 3.981 8.013 ( -0.047 2.714 2.912) 3.981 8.168 ( -0.963 -1.191 -0.031) 1.532 8.168 ( -0.963 1.191 -0.031) 1.532 8.300 ( 4.332 -2.799 0.169) 5.160 8.300 ( 4.332 2.799 0.169) 5.160 8.407 ( 0.831 -4.904 0.942) 5.062 8.407 ( 0.831 4.904 0.942) 5.062 8.566 ( 1.771 -5.782 2.806) 6.666 8.566 ( 1.771 5.782 2.806) 6.666 8.760 ( 0.639 -4.991 -0.558) 5.062 8.760 ( 0.639 4.991 -0.558) 5.062 8.845 ( -0.768 -2.155 0.542) 2.351 8.845 ( -0.768 2.155 0.542) 2.351 8.955 ( -2.212 -3.142 1.415) 4.094 8.955 ( -2.212 3.142 1.415) 4.094 9.105 ( -0.535 -5.710 -3.838) 6.901 9.105 ( -0.535 5.710 -3.838) 6.901 9.309 ( -1.222 -0.328 -2.343) 2.663 9.309 ( -1.222 0.328 -2.343) 2.663 9.391 ( -0.325 -1.623 1.603) 2.304 9.391 ( -0.325 1.623 1.603) 2.304 9.458 ( 2.588 -1.672 2.089) 3.723 9.458 ( 2.588 1.672 2.089) 3.723 9.526 ( 4.554 -5.312 -2.620) 7.471 9.526 ( 4.554 5.312 -2.620) 7.471 9.585 ( 2.681 -1.000 0.705) 2.947 9.585 ( 2.681 1.000 0.705) 2.947 9.746 ( 3.064 -1.557 -1.497) 3.749 9.746 ( 3.064 1.557 -1.497) 3.749 10.039 ( 0.477 -3.194 0.004) 3.229 10.039 ( 0.477 3.194 0.004) 3.229 10.214 ( -4.045 -4.154 1.542) 6.000 10.214 ( -4.045 4.154 1.542) 6.000 10.264 ( -2.260 -5.077 -1.180) 5.681 10.264 ( -2.260 5.077 -1.180) 5.681 10.693 ( 2.189 -0.563 0.957) 2.454 10.693 ( 2.189 0.563 0.957) 2.454 10.749 ( 3.504 -5.763 -3.158) 7.448 10.749 ( 3.504 5.763 -3.158) 7.448 11.097 ( 0.558 -7.796 5.520) 9.569 11.097 ( 0.558 7.796 5.520) 9.569 11.411 ( 5.115 -14.744 -7.053) 17.125 11.411 ( 5.115 14.744 -7.053) 17.125 11.987 ( -1.143 -11.159 -1.828) 11.365 11.987 ( -1.143 11.159 -1.828) 11.365 12.626 ( -0.590 -10.936 1.211) 11.018 12.626 ( -0.590 10.936 1.211) 11.018 13.145 ( -4.628 -3.489 -1.028) 5.886 13.145 ( -4.628 3.489 -1.028) 5.886 13.592 ( 1.897 -3.707 -0.381) 4.181 13.592 ( 1.897 3.707 -0.381) 4.181 13.947 ( -3.466 -3.054 1.049) 4.737 13.947 ( -3.466 3.054 1.049) 4.737 14.265 ( 0.701 -0.822 2.523) 2.745 14.265 ( 0.701 0.822 2.523) 2.745 14.330 ( -0.612 -2.819 3.040) 4.190 14.330 ( -0.612 2.819 3.040) 4.190 14.643 ( 0.742 -4.752 -1.138) 4.943 14.643 ( 0.742 4.752 -1.138) 4.943 16.990 ( 7.067 -7.678 -0.154) 10.437 16.990 ( 7.067 7.678 -0.154) 10.437 17.149 ( 8.883 -7.936 -0.239) 11.914 17.149 ( 8.883 7.936 -0.239) 11.914 17.671 ( -4.306 -6.417 -0.085) 7.729 17.671 ( -4.306 6.417 -0.085) 7.729 17.953 ( -10.470 -10.840 -0.520) 15.079 17.953 ( -10.470 10.840 -0.520) 15.079 18.339 ( 6.028 -1.708 -1.552) 6.455 18.339 ( 6.028 1.708 -1.552) 6.455 18.548 ( 1.769 -3.090 0.228) 3.568 18.548 ( 1.769 3.090 0.228) 3.568 18.921 ( 5.809 -7.834 -3.418) 10.334 18.921 ( 5.809 7.834 -3.418) 10.334 19.112 ( 0.899 -1.040 -1.572) 2.088 19.112 ( 0.899 1.040 -1.572) 2.088 19.780 ( -5.579 -6.051 3.635) 8.997 19.780 ( -5.579 6.051 3.635) 8.997 20.207 ( -2.319 -3.366 1.315) 4.294 20.207 ( -2.319 3.366 1.315) 4.294 20.352 ( -7.427 -2.811 1.631) 8.107 20.352 ( -7.427 2.811 1.631) 8.107 20.649 ( -8.663 -6.532 -1.581) 10.964 20.649 ( -8.663 6.532 -1.581) 10.964 22.260 ( 1.394 -1.019 0.088) 1.729 22.260 ( 1.394 1.019 0.088) 1.729 22.305 ( 2.788 -1.108 -0.105) 3.002 22.305 ( 2.788 1.108 -0.105) 3.002 ======================= Grid point 55 (30/54) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 10.875 -4.031 -0.221) 11.600 1.763 ( 10.875 4.031 -0.221) 11.600 1.905 ( -0.808 -4.866 4.716) 6.824 1.905 ( -0.808 4.866 4.716) 6.824 2.020 ( 0.555 -5.476 -0.430) 5.521 2.020 ( 0.555 5.476 -0.430) 5.521 2.098 ( -4.369 -4.118 -0.233) 6.008 2.098 ( -4.369 4.118 -0.233) 6.008 2.234 ( -1.188 -6.591 2.639) 7.198 2.234 ( -1.188 6.591 2.639) 7.198 2.345 ( 7.944 -1.367 -2.424) 8.417 2.345 ( 7.944 1.367 -2.424) 8.417 2.460 ( 1.903 -2.043 -0.283) 2.807 2.460 ( 1.903 2.043 -0.283) 2.807 2.570 ( -3.320 -1.901 -1.225) 4.017 2.570 ( -3.320 1.901 -1.225) 4.017 2.674 ( 3.315 -4.255 -2.486) 5.939 2.674 ( 3.315 4.255 -2.486) 5.939 2.913 ( 2.265 -0.426 3.888) 4.520 2.913 ( 2.265 0.426 3.888) 4.520 2.949 ( -2.480 -4.020 -2.379) 5.289 2.949 ( -2.480 4.020 -2.379) 5.289 3.082 ( -3.475 -2.176 0.887) 4.194 3.082 ( -3.475 2.176 0.887) 4.194 3.294 ( 4.473 -7.744 2.043) 9.173 3.294 ( 4.473 7.744 2.043) 9.173 3.400 ( -6.649 -3.239 -0.774) 7.436 3.400 ( -6.649 3.239 -0.774) 7.436 3.538 ( -1.719 -1.305 -1.900) 2.875 3.538 ( -1.719 1.305 -1.900) 2.875 3.578 ( 2.938 -3.215 -0.697) 4.411 3.578 ( 2.938 3.215 -0.697) 4.411 3.647 ( -0.958 -3.407 -0.255) 3.548 3.647 ( -0.958 3.407 -0.255) 3.548 3.692 ( 3.806 -3.762 -1.124) 5.468 3.692 ( 3.806 3.762 -1.124) 5.468 3.901 ( 5.357 -1.580 2.148) 5.984 3.901 ( 5.357 1.580 2.148) 5.984 3.975 ( 0.289 -2.268 -3.975) 4.586 3.975 ( 0.289 2.268 -3.975) 4.586 4.107 ( -6.028 -3.643 -1.121) 7.132 4.107 ( -6.028 3.643 -1.121) 7.132 4.179 ( 5.297 -6.060 7.442) 10.962 4.179 ( 5.297 6.060 7.442) 10.962 4.276 ( -2.949 -3.223 1.507) 4.621 4.276 ( -2.949 3.223 1.507) 4.621 4.403 ( 9.584 -4.439 1.946) 10.740 4.403 ( 9.584 4.439 1.946) 10.740 4.487 ( -0.226 -6.023 -4.150) 7.318 4.487 ( -0.226 6.023 -4.150) 7.318 4.676 ( 9.470 -2.503 -3.894) 10.541 4.676 ( 9.470 2.503 -3.894) 10.541 4.819 ( 3.440 -5.989 -1.471) 7.061 4.819 ( 3.440 5.989 -1.471) 7.061 4.908 ( 1.755 -4.237 -3.020) 5.491 4.908 ( 1.755 4.237 -3.020) 5.491 5.080 ( -9.910 -6.676 0.058) 11.949 5.080 ( -9.910 6.676 0.058) 11.949 5.241 ( 0.960 -3.778 0.120) 3.900 5.241 ( 0.960 3.778 0.120) 3.900 5.408 ( -1.619 -2.145 -1.502) 3.079 5.408 ( -1.619 2.145 -1.502) 3.079 5.481 ( 1.756 -5.015 1.893) 5.640 5.481 ( 1.756 5.015 1.893) 5.640 5.626 ( -5.231 -1.233 -0.453) 5.393 5.626 ( -5.231 1.233 -0.453) 5.393 5.698 ( -2.308 -1.592 6.024) 6.645 5.698 ( -2.308 1.592 6.024) 6.645 5.891 ( -6.776 -5.330 -0.388) 8.630 5.891 ( -6.776 5.330 -0.388) 8.630 6.097 ( -4.675 -2.329 -0.430) 5.241 6.097 ( -4.675 2.329 -0.430) 5.241 6.275 ( 0.750 -1.927 -1.733) 2.698 6.275 ( 0.750 1.927 -1.733) 2.698 6.317 ( 1.214 -1.637 0.897) 2.227 6.317 ( 1.214 1.637 0.897) 2.227 6.566 ( -1.243 -3.182 0.704) 3.488 6.566 ( -1.243 3.182 0.704) 3.488 6.634 ( -2.038 -1.748 4.688) 5.402 6.634 ( -2.038 1.748 4.688) 5.402 6.870 ( 1.944 -4.506 -2.174) 5.368 6.870 ( 1.944 4.506 -2.174) 5.368 7.083 ( -4.944 -4.263 1.559) 6.712 7.083 ( -4.944 4.263 1.559) 6.712 7.271 ( 1.450 -3.835 2.939) 5.044 7.271 ( 1.450 3.835 2.939) 5.044 7.492 ( -0.555 -0.186 1.044) 1.197 7.492 ( -0.555 0.186 1.044) 1.197 7.712 ( 1.176 -1.950 -3.168) 3.902 7.712 ( 1.176 1.950 -3.168) 3.902 7.896 ( 3.641 -2.214 -4.127) 5.932 7.896 ( 3.641 2.214 -4.127) 5.932 8.024 ( -1.496 -2.414 3.541) 4.539 8.024 ( -1.496 2.414 3.541) 4.539 8.179 ( 1.059 -0.274 2.988) 3.182 8.179 ( 1.059 0.274 2.988) 3.182 8.356 ( 0.814 -3.265 -0.750) 3.448 8.356 ( 0.814 3.265 -0.750) 3.448 8.416 ( 0.033 -1.432 0.019) 1.433 8.416 ( 0.033 1.432 0.019) 1.433 8.581 ( -1.009 -5.257 -1.961) 5.701 8.581 ( -1.009 5.257 -1.961) 5.701 8.747 ( 2.063 -3.551 -7.153) 8.248 8.747 ( 2.063 3.551 -7.153) 8.248 8.834 ( -0.354 -3.180 1.499) 3.534 8.834 ( -0.354 3.180 1.499) 3.534 8.972 ( -0.691 -3.659 8.287) 9.085 8.972 ( -0.691 3.659 8.287) 9.085 9.090 ( 1.395 -7.567 -2.440) 8.072 9.090 ( 1.395 7.567 -2.440) 8.072 9.248 ( -3.240 -0.570 -1.207) 3.504 9.248 ( -3.240 0.570 -1.207) 3.504 9.347 ( -2.802 -2.654 0.613) 3.908 9.347 ( -2.802 2.654 0.613) 3.908 9.531 ( 2.331 -0.738 -2.402) 3.427 9.531 ( 2.331 0.738 -2.402) 3.427 9.586 ( 0.998 -3.910 1.347) 4.254 9.586 ( 0.998 3.910 1.347) 4.254 9.644 ( 4.042 -0.374 0.483) 4.088 9.644 ( 4.042 0.374 0.483) 4.088 9.803 ( 3.769 -3.170 -1.477) 5.142 9.803 ( 3.769 3.170 -1.477) 5.142 10.052 ( 1.074 -2.647 0.189) 2.863 10.052 ( 1.074 2.647 0.189) 2.863 10.123 ( -5.804 -4.942 2.219) 7.939 10.123 ( -5.804 4.942 2.219) 7.939 10.243 ( -0.115 -3.878 -0.477) 3.909 10.243 ( -0.115 3.878 -0.477) 3.909 10.723 ( 0.700 -1.608 0.039) 1.754 10.723 ( 0.700 1.608 0.039) 1.754 10.790 ( 2.781 -5.432 -2.471) 6.583 10.790 ( 2.781 5.432 -2.471) 6.584 11.119 ( -2.075 -7.969 5.057) 9.663 11.119 ( -2.075 7.969 5.057) 9.663 11.469 ( 5.121 -16.112 -5.109) 17.661 11.469 ( 5.121 16.112 -5.109) 17.661 11.972 ( 0.675 -14.831 -0.436) 14.853 11.972 ( 0.675 14.831 -0.436) 14.853 12.603 ( -2.008 -12.573 -0.397) 12.739 12.603 ( -2.008 12.573 -0.397) 12.739 13.092 ( -0.753 -3.160 -1.045) 3.413 13.092 ( -0.753 3.160 -1.045) 3.413 13.618 ( 0.772 -2.642 1.848) 3.315 13.618 ( 0.772 2.642 1.848) 3.315 13.885 ( -2.794 -2.554 -1.497) 4.070 13.885 ( -2.794 2.554 -1.497) 4.070 14.294 ( 0.280 -0.810 2.613) 2.750 14.294 ( 0.280 0.810 2.613) 2.750 14.329 ( -1.062 -1.982 1.572) 2.743 14.329 ( -1.062 1.982 1.572) 2.743 14.645 ( 0.406 -4.358 -1.575) 4.651 14.645 ( 0.406 4.358 -1.575) 4.651 17.101 ( 3.863 -8.968 1.007) 9.817 17.101 ( 3.863 8.968 1.007) 9.817 17.281 ( 4.417 -7.747 -1.498) 9.043 17.281 ( 4.417 7.747 -1.498) 9.043 17.613 ( -0.365 -1.521 0.544) 1.656 17.613 ( -0.365 1.521 0.544) 1.656 17.793 ( -6.412 -4.092 0.510) 7.623 17.793 ( -6.412 4.092 0.510) 7.623 18.424 ( 3.562 -0.729 0.499) 3.670 18.424 ( 3.562 0.729 0.499) 3.670 18.583 ( 0.914 -2.386 2.048) 3.274 18.583 ( 0.914 2.386 2.048) 3.274 18.985 ( 4.675 -6.002 -6.742) 10.165 18.985 ( 4.675 6.002 -6.742) 10.165 19.120 ( 0.197 -2.267 -0.911) 2.451 19.120 ( 0.197 2.267 -0.911) 2.451 19.703 ( -5.222 -6.614 2.355) 8.750 19.703 ( -5.222 6.614 2.355) 8.750 20.156 ( -3.381 -3.289 0.678) 4.766 20.156 ( -3.381 3.289 0.678) 4.766 20.287 ( -0.747 -1.595 2.370) 2.953 20.287 ( -0.747 1.595 2.370) 2.953 20.506 ( -4.556 -4.809 -2.188) 6.977 20.506 ( -4.556 4.809 -2.188) 6.977 22.280 ( 0.606 -0.519 0.291) 0.849 22.280 ( 0.606 0.519 0.291) 0.849 22.340 ( 1.075 -0.833 -0.281) 1.389 22.340 ( 1.075 0.833 -0.281) 1.389 ======================= Grid point 57 (31/54) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -10.073 -2.142 0.381) 10.305 1.692 ( -10.073 2.142 0.381) 10.306 1.819 ( -13.175 -8.103 0.277) 15.470 1.819 ( -13.175 8.103 0.277) 15.470 2.046 ( 3.887 -1.816 0.452) 4.314 2.046 ( 3.887 1.816 0.452) 4.314 2.213 ( 8.490 -3.067 3.060) 9.531 2.213 ( 8.490 3.067 3.060) 9.531 2.294 ( 6.369 -2.882 1.805) 7.220 2.294 ( 6.369 2.882 1.805) 7.220 2.428 ( 0.787 -3.762 0.162) 3.847 2.428 ( 0.787 3.762 0.162) 3.847 2.523 ( 1.459 -2.104 2.590) 3.642 2.523 ( 1.459 2.104 2.590) 3.642 2.592 ( 7.568 -0.610 -0.115) 7.593 2.592 ( 7.568 0.610 -0.115) 7.593 2.742 ( 4.294 -4.339 0.993) 6.185 2.742 ( 4.294 4.339 0.993) 6.185 2.854 ( -4.543 -4.064 -7.206) 9.438 2.854 ( -4.543 4.064 -7.206) 9.438 2.961 ( -1.857 -0.976 2.802) 3.501 2.961 ( -1.857 0.976 2.802) 3.501 3.040 ( -0.812 -1.447 2.238) 2.786 3.040 ( -0.812 1.447 2.238) 2.786 3.248 ( -8.678 -6.388 1.717) 10.911 3.248 ( -8.678 6.388 1.717) 10.911 3.316 ( -3.003 -3.027 -2.858) 5.134 3.316 ( -3.003 3.027 -2.858) 5.134 3.486 ( 1.998 -4.483 -2.660) 5.583 3.486 ( 1.998 4.483 -2.660) 5.583 3.537 ( -3.197 -2.572 -2.787) 4.960 3.537 ( -3.197 2.572 -2.787) 4.960 3.679 ( -2.714 -4.262 1.209) 5.195 3.679 ( -2.714 4.262 1.209) 5.195 3.733 ( -0.518 -3.081 0.852) 3.238 3.733 ( -0.518 3.081 0.852) 3.238 3.797 ( -7.439 -4.638 -4.029) 9.647 3.797 ( -7.439 4.638 -4.029) 9.647 3.973 ( 0.204 -1.435 -2.175) 2.614 3.973 ( 0.204 1.435 -2.175) 2.614 4.052 ( 0.456 -3.041 -0.446) 3.108 4.052 ( 0.456 3.041 -0.446) 3.108 4.185 ( -6.535 -1.523 3.824) 7.724 4.185 ( -6.535 1.523 3.824) 7.724 4.276 ( -6.132 -0.643 -0.395) 6.178 4.276 ( -6.132 0.643 -0.395) 6.178 4.391 ( 0.377 -2.322 0.429) 2.391 4.391 ( 0.377 2.322 0.429) 2.391 4.636 ( 4.600 -4.889 2.676) 7.226 4.636 ( 4.600 4.889 2.676) 7.226 4.719 ( 2.503 -2.072 -0.201) 3.255 4.719 ( 2.503 2.072 -0.201) 3.255 4.861 ( 1.439 -4.977 -2.466) 5.738 4.861 ( 1.439 4.977 -2.466) 5.738 5.014 ( 5.785 -4.568 0.820) 7.417 5.014 ( 5.785 4.568 0.820) 7.417 5.077 ( 9.511 -4.268 0.299) 10.429 5.077 ( 9.511 4.268 0.299) 10.429 5.187 ( -5.683 -3.977 -0.478) 6.952 5.187 ( -5.683 3.977 -0.478) 6.952 5.329 ( -1.608 -1.893 -2.947) 3.854 5.329 ( -1.608 1.893 -2.947) 3.854 5.524 ( 1.262 -1.513 0.330) 1.998 5.524 ( 1.262 1.513 0.330) 1.998 5.589 ( 0.161 -2.005 2.487) 3.199 5.589 ( 0.161 2.005 2.487) 3.199 5.782 ( 6.132 -2.100 3.159) 7.211 5.782 ( 6.132 2.100 3.159) 7.211 5.846 ( 2.700 -3.496 0.252) 4.424 5.846 ( 2.700 3.496 0.252) 4.424 6.039 ( -0.377 -1.368 -2.167) 2.591 6.039 ( -0.377 1.368 -2.167) 2.591 6.279 ( 0.671 -1.943 0.096) 2.058 6.279 ( 0.671 1.943 0.096) 2.058 6.320 ( -0.284 -2.481 -0.125) 2.500 6.320 ( -0.284 2.481 -0.125) 2.500 6.527 ( -2.145 -0.480 -0.573) 2.271 6.527 ( -2.145 0.480 -0.573) 2.271 6.659 ( 0.612 -3.041 3.727) 4.849 6.659 ( 0.612 3.041 3.727) 4.849 6.931 ( 4.252 -4.915 1.294) 6.626 6.931 ( 4.252 4.915 1.294) 6.626 7.021 ( -2.104 -3.582 -0.968) 4.265 7.021 ( -2.104 3.582 -0.968) 4.265 7.324 ( 0.910 -3.699 5.693) 6.850 7.324 ( 0.910 3.699 5.693) 6.850 7.470 ( -1.376 -3.336 -0.607) 3.660 7.470 ( -1.376 3.336 -0.607) 3.660 7.714 ( 0.569 -0.486 -2.398) 2.512 7.714 ( 0.569 0.486 -2.398) 2.512 7.907 ( 0.284 -3.198 -4.896) 5.855 7.907 ( 0.284 3.198 -4.896) 5.855 8.024 ( -0.683 -1.900 4.331) 4.778 8.024 ( -0.683 1.900 4.331) 4.778 8.206 ( -1.089 -0.739 4.060) 4.268 8.206 ( -1.089 0.739 4.060) 4.268 8.325 ( -2.102 -2.398 -1.714) 3.620 8.325 ( -2.102 2.398 -1.714) 3.620 8.404 ( -1.091 -0.736 -0.896) 1.592 8.404 ( -1.091 0.736 -0.896) 1.592 8.539 ( -2.060 -3.562 -2.239) 4.685 8.539 ( -2.060 3.562 -2.239) 4.685 8.735 ( 2.339 -3.471 -8.464) 9.443 8.735 ( 2.339 3.471 -8.464) 9.443 8.847 ( -0.540 -3.468 3.605) 5.031 8.847 ( -0.540 3.468 3.605) 5.031 9.021 ( 1.476 -1.445 5.818) 6.174 9.021 ( 1.476 1.445 5.818) 6.174 9.137 ( 3.746 -6.745 0.135) 7.717 9.137 ( 3.746 6.745 0.135) 7.717 9.199 ( -0.802 -1.505 -0.924) 1.939 9.199 ( -0.802 1.505 -0.924) 1.939 9.311 ( -1.349 -4.053 -0.374) 4.288 9.311 ( -1.349 4.053 -0.374) 4.288 9.519 ( -2.570 -4.840 0.491) 5.502 9.519 ( -2.570 4.840 0.491) 5.502 9.574 ( -1.172 -4.363 -0.795) 4.587 9.574 ( -1.172 4.363 -0.795) 4.587 9.713 ( 2.428 -1.266 -0.304) 2.755 9.713 ( 2.428 1.266 -0.304) 2.755 9.819 ( -2.196 -5.280 -0.827) 5.778 9.819 ( -2.196 5.280 -0.827) 5.778 10.010 ( -3.533 -3.080 0.366) 4.701 10.010 ( -3.533 3.080 0.366) 4.701 10.128 ( 3.269 -2.857 0.468) 4.367 10.128 ( 3.269 2.857 0.468) 4.367 10.258 ( 1.783 -3.877 0.955) 4.373 10.258 ( 1.783 3.877 0.955) 4.373 10.716 ( -1.480 -3.365 -0.168) 3.680 10.716 ( -1.480 3.365 -0.168) 3.680 10.813 ( 1.560 -6.125 -2.547) 6.814 10.813 ( 1.560 6.125 -2.547) 6.814 11.087 ( -4.379 -7.193 4.359) 9.482 11.087 ( -4.379 7.193 4.359) 9.482 11.512 ( 2.437 -17.309 -3.764) 17.880 11.512 ( 2.437 17.309 -3.764) 17.880 12.004 ( 2.325 -12.627 0.285) 12.843 12.004 ( 2.325 12.627 0.285) 12.843 12.570 ( -0.554 -12.890 -1.217) 12.959 12.570 ( -0.554 12.890 -1.217) 12.959 13.092 ( 1.408 -1.544 -1.023) 2.327 13.092 ( 1.408 1.544 -1.023) 2.327 13.649 ( 0.804 -1.615 3.132) 3.614 13.649 ( 0.804 1.615 3.132) 3.614 13.834 ( -1.235 -2.208 -3.084) 3.989 13.834 ( -1.235 2.208 -3.084) 3.989 14.303 ( -1.411 -2.647 3.038) 4.269 14.303 ( -1.411 2.647 3.038) 4.269 14.317 ( -0.807 -0.767 1.249) 1.673 14.317 ( -0.807 0.767 1.249) 1.673 14.636 ( -0.138 -3.983 -1.966) 4.444 14.636 ( -0.138 3.983 -1.966) 4.444 17.118 ( -3.262 -7.573 1.810) 8.442 17.118 ( -3.262 7.573 1.810) 8.442 17.244 ( -5.288 -7.897 -2.491) 9.825 17.244 ( -5.288 7.897 -2.491) 9.825 17.643 ( -0.563 -3.358 1.228) 3.620 17.643 ( -0.563 3.358 1.228) 3.620 17.805 ( 8.966 -7.773 0.481) 11.876 17.805 ( 8.966 7.773 0.481) 11.876 18.463 ( -0.431 -1.746 1.244) 2.187 18.463 ( -0.431 1.746 1.244) 2.187 18.600 ( -0.539 -1.415 3.238) 3.574 18.600 ( -0.539 1.415 3.238) 3.574 19.015 ( 4.351 -2.821 -8.853) 10.260 19.015 ( 4.351 2.821 -8.853) 10.260 19.085 ( -3.293 -3.808 -0.654) 5.077 19.085 ( -3.293 3.808 -0.654) 5.077 19.629 ( -4.005 -5.122 2.153) 6.849 19.629 ( -4.005 5.122 2.153) 6.849 20.132 ( 0.577 -2.747 0.186) 2.813 20.132 ( 0.577 2.747 0.186) 2.813 20.323 ( 2.547 -2.977 2.877) 4.861 20.323 ( 2.547 2.977 2.877) 4.861 20.498 ( 5.287 -5.401 -2.479) 7.954 20.498 ( 5.287 5.401 -2.479) 7.954 22.283 ( -0.554 -0.264 0.387) 0.726 22.283 ( -0.554 0.264 0.387) 0.726 22.338 ( -1.090 -0.928 -0.368) 1.478 22.338 ( -1.090 0.928 -0.368) 1.478 ======================= Grid point 59 (32/54) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -11.617 -13.353 -2.403) 17.861 1.486 ( -11.617 13.353 -2.403) 17.861 1.610 ( -10.890 -15.712 4.722) 19.692 1.610 ( -10.890 15.712 4.722) 19.692 2.073 ( -0.825 -3.130 -2.694) 4.211 2.073 ( -0.825 3.130 -2.694) 4.211 2.287 ( 0.456 -2.293 0.137) 2.342 2.287 ( 0.456 2.293 0.137) 2.342 2.339 ( -2.479 -1.197 0.857) 2.883 2.339 ( -2.479 1.197 0.857) 2.883 2.513 ( 1.953 -1.212 1.066) 2.534 2.513 ( 1.953 1.212 1.066) 2.534 2.566 ( -0.705 -1.242 -2.156) 2.586 2.566 ( -0.705 1.242 -2.156) 2.586 2.631 ( 2.674 -4.994 -4.576) 7.282 2.631 ( 2.674 4.994 -4.576) 7.282 2.761 ( -0.156 -0.150 -2.438) 2.448 2.761 ( -0.156 0.150 -2.438) 2.448 2.798 ( -1.041 -2.777 2.539) 3.904 2.798 ( -1.041 2.777 2.539) 3.904 2.955 ( 2.013 -2.531 3.038) 4.437 2.955 ( 2.013 2.531 3.038) 4.437 3.054 ( -0.356 -2.470 1.163) 2.753 3.054 ( -0.356 2.470 1.163) 2.753 3.104 ( -5.121 -9.412 1.997) 10.899 3.104 ( -5.121 9.412 1.997) 10.899 3.278 ( -0.237 -3.089 1.159) 3.308 3.278 ( -0.237 3.089 1.159) 3.308 3.449 ( -5.648 -0.288 1.336) 5.811 3.449 ( -5.648 0.288 1.336) 5.811 3.525 ( -0.369 -4.333 -3.992) 5.903 3.525 ( -0.369 4.333 -3.992) 5.903 3.572 ( -2.748 -5.098 1.235) 5.922 3.572 ( -2.748 5.098 1.235) 5.922 3.659 ( -5.667 -10.198 -1.161) 11.725 3.659 ( -5.667 10.198 -1.161) 11.725 3.785 ( 2.655 -7.871 0.506) 8.322 3.785 ( 2.655 7.871 0.506) 8.322 3.920 ( -11.773 -4.577 1.305) 12.699 3.920 ( -11.773 4.577 1.305) 12.699 3.981 ( -0.314 -0.730 2.530) 2.652 3.981 ( -0.314 0.730 2.530) 2.652 4.089 ( -4.572 -2.760 -1.349) 5.508 4.089 ( -4.572 2.760 -1.349) 5.508 4.199 ( 2.235 -4.195 -4.297) 6.408 4.199 ( 2.235 4.195 -4.297) 6.408 4.405 ( -1.595 -4.636 1.411) 5.102 4.405 ( -1.595 4.636 1.411) 5.102 4.589 ( -5.052 -5.380 -4.304) 8.544 4.589 ( -5.052 5.380 -4.304) 8.544 4.820 ( 3.607 -4.337 2.943) 6.362 4.820 ( 3.607 4.337 2.943) 6.362 4.885 ( 0.606 -3.222 -4.642) 5.683 4.885 ( 0.606 3.222 -4.642) 5.683 5.003 ( -3.492 -2.854 0.467) 4.533 5.003 ( -3.492 2.854 0.467) 4.533 5.104 ( -1.798 -4.609 2.543) 5.562 5.104 ( -1.798 4.609 2.543) 5.562 5.238 ( 5.282 -2.634 0.560) 5.929 5.238 ( 5.282 2.634 0.560) 5.929 5.372 ( 3.882 -1.489 -0.185) 4.162 5.372 ( 3.882 1.489 -0.185) 4.162 5.571 ( 5.267 -3.370 -5.890) 8.590 5.571 ( 5.267 3.370 -5.890) 8.590 5.646 ( 5.898 -2.682 3.511) 7.370 5.646 ( 5.898 2.682 3.511) 7.370 5.910 ( 5.454 -0.762 -0.863) 5.574 5.910 ( 5.454 0.762 -0.863) 5.574 5.947 ( 6.334 -3.342 3.092) 7.801 5.947 ( 6.334 3.342 3.092) 7.801 6.090 ( 7.165 -2.422 0.850) 7.611 6.090 ( 7.165 2.422 0.850) 7.611 6.295 ( 0.295 -0.691 0.141) 0.764 6.295 ( 0.295 0.691 0.141) 0.764 6.329 ( 1.496 -3.700 0.061) 3.991 6.329 ( 1.496 3.700 0.061) 3.991 6.488 ( -1.658 -1.761 -0.125) 2.422 6.488 ( -1.658 1.761 -0.125) 2.422 6.697 ( 0.620 -2.480 4.469) 5.148 6.697 ( 0.620 2.480 4.469) 5.148 6.941 ( -3.403 -2.914 -0.351) 4.494 6.941 ( -3.403 2.914 -0.351) 4.494 7.054 ( 5.679 -3.737 -1.344) 6.930 7.054 ( 5.679 3.737 -1.344) 6.930 7.359 ( -0.938 -0.668 5.415) 5.536 7.359 ( -0.938 0.668 5.415) 5.536 7.471 ( 2.107 -5.486 0.173) 5.879 7.471 ( 2.107 5.486 0.173) 5.879 7.676 ( -3.593 -1.309 -2.074) 4.350 7.676 ( -3.593 1.309 -2.074) 4.350 7.850 ( -2.016 -2.932 -6.050) 7.019 7.850 ( -2.016 2.932 -6.050) 7.019 8.017 ( -4.154 -0.397 3.681) 5.564 8.017 ( -4.154 0.397 3.681) 5.564 8.225 ( 0.473 -0.549 3.014) 3.100 8.225 ( 0.473 0.549 3.014) 3.100 8.288 ( -0.806 -2.406 -0.763) 2.650 8.288 ( -0.806 2.406 -0.763) 2.650 8.377 ( -0.967 -0.623 1.164) 1.636 8.377 ( -0.967 0.623 1.164) 1.636 8.479 ( -2.586 -1.475 -0.898) 3.109 8.479 ( -2.586 1.475 -0.898) 3.109 8.736 ( 2.834 -3.076 -6.265) 7.533 8.736 ( 2.834 3.076 -6.265) 7.533 8.866 ( -0.174 -2.934 4.459) 5.341 8.866 ( -0.174 2.934 4.459) 5.341 9.064 ( -1.448 -2.783 4.857) 5.782 9.064 ( -1.448 2.783 4.857) 5.782 9.166 ( -0.306 -1.814 -0.969) 2.079 9.166 ( -0.306 1.814 -0.969) 2.079 9.236 ( 4.860 -1.258 -3.378) 6.051 9.236 ( 4.860 1.258 -3.378) 6.051 9.299 ( 0.128 -4.062 1.003) 4.186 9.299 ( 0.128 4.062 1.003) 4.186 9.450 ( -4.993 -2.599 -0.648) 5.666 9.450 ( -4.993 2.599 -0.648) 5.666 9.558 ( -0.235 -2.603 1.435) 2.982 9.558 ( -0.235 2.603 1.435) 2.982 9.710 ( -2.733 -4.870 -3.834) 6.774 9.710 ( -2.733 4.870 -3.834) 6.774 9.755 ( -2.174 -3.720 1.763) 4.656 9.755 ( -2.174 3.720 1.763) 4.656 9.961 ( -2.324 -4.830 -1.406) 5.541 9.961 ( -2.324 4.830 -1.406) 5.541 10.185 ( 2.810 -3.481 -0.424) 4.494 10.185 ( 2.810 3.481 -0.424) 4.494 10.311 ( 2.945 -2.986 1.383) 4.416 10.311 ( 2.945 2.986 1.383) 4.416 10.671 ( -3.312 -1.939 0.377) 3.856 10.671 ( -3.312 1.939 0.377) 3.856 10.811 ( 0.149 -6.982 -3.434) 7.783 10.811 ( 0.149 6.982 -3.434) 7.783 11.033 ( -4.480 -6.952 4.458) 9.395 11.033 ( -4.480 6.952 4.458) 9.395 11.503 ( -0.565 -17.001 -4.473) 17.588 11.503 ( -0.565 17.001 -4.473) 17.588 12.034 ( 0.912 -6.145 -0.910) 6.279 12.034 ( 0.912 6.145 -0.910) 6.279 12.579 ( 1.713 -12.095 0.267) 12.219 12.579 ( 1.713 12.095 0.267) 12.219 13.137 ( 4.544 -0.480 -1.209) 4.726 13.137 ( 4.544 0.480 -1.209) 4.726 13.667 ( -1.328 -4.097 0.961) 4.412 13.667 ( -1.328 4.097 0.961) 4.412 13.812 ( 1.135 -0.480 -1.312) 1.800 13.812 ( 1.135 0.480 -1.312) 1.800 14.287 ( -2.234 -3.566 3.662) 5.579 14.287 ( -2.234 3.566 3.662) 5.579 14.323 ( -0.232 -1.279 2.773) 3.063 14.323 ( -0.232 1.279 2.773) 3.063 14.618 ( -0.266 -3.931 -2.135) 4.481 14.618 ( -0.266 3.931 -2.135) 4.481 17.015 ( -7.880 -2.946 0.470) 8.426 17.015 ( -7.880 2.946 0.470) 8.426 17.117 ( -7.227 -4.314 -0.954) 8.471 17.117 ( -7.227 4.314 -0.954) 8.471 17.655 ( 2.317 -14.614 -0.137) 14.798 17.655 ( 2.317 14.614 -0.137) 14.798 17.992 ( 9.209 -10.593 0.013) 14.036 17.992 ( 9.209 10.593 0.013) 14.036 18.398 ( -6.587 -3.915 -0.543) 7.682 18.398 ( -6.587 3.915 -0.543) 7.682 18.637 ( 2.153 -0.364 3.946) 4.510 18.637 ( 2.153 0.364 3.946) 4.510 18.986 ( -2.502 -2.298 -7.103) 7.873 18.986 ( -2.502 2.298 -7.103) 7.873 19.060 ( 2.288 -3.096 -2.164) 4.416 19.060 ( 2.288 3.096 -2.164) 4.416 19.616 ( 1.462 -2.898 3.495) 4.770 19.616 ( 1.462 2.898 3.495) 4.770 20.162 ( 2.010 -0.709 0.310) 2.154 20.162 ( 2.010 0.709 0.310) 2.154 20.424 ( 5.946 -3.449 3.311) 7.630 20.424 ( 5.946 3.449 3.311) 7.630 20.621 ( 9.075 -8.005 -2.802) 12.421 20.621 ( 9.075 8.005 -2.802) 12.421 22.266 ( -1.492 -0.854 0.278) 1.742 22.266 ( -1.492 0.854 0.278) 1.742 22.300 ( -2.647 -1.167 -0.270) 2.905 22.300 ( -2.647 1.167 -0.270) 2.905 ======================= Grid point 61 (33/54) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -5.914 -20.956 -5.643) 22.494 1.292 ( -5.914 20.956 -5.643) 22.494 1.434 ( -13.168 -20.874 4.918) 25.166 1.434 ( -13.168 20.874 4.918) 25.166 2.009 ( -2.161 -2.448 -3.649) 4.897 2.009 ( -2.161 2.448 -3.649) 4.897 2.190 ( -6.520 -1.205 -7.417) 9.949 2.190 ( -6.520 1.205 -7.417) 9.949 2.313 ( 0.295 -5.605 1.336) 5.769 2.313 ( 0.295 5.605 1.336) 5.769 2.522 ( 1.632 -5.848 -2.439) 6.543 2.522 ( 1.632 5.848 -2.439) 6.543 2.544 ( -0.664 -7.228 4.256) 8.414 2.544 ( -0.664 7.228 4.256) 8.414 2.632 ( -4.241 -1.402 2.086) 4.930 2.632 ( -4.241 1.402 2.086) 4.930 2.689 ( -2.145 -18.946 4.409) 19.570 2.689 ( -2.145 18.946 4.409) 19.570 2.899 ( 5.611 -2.898 -2.196) 6.686 2.899 ( 5.611 2.898 -2.196) 6.686 2.959 ( 1.068 -5.922 2.384) 6.473 2.959 ( 1.068 5.922 2.384) 6.473 3.088 ( 3.921 -1.940 -3.514) 5.611 3.088 ( 3.921 1.940 -3.514) 5.611 3.135 ( 1.551 -2.628 1.419) 3.366 3.135 ( 1.551 2.628 1.419) 3.366 3.273 ( -6.669 -4.797 0.180) 8.217 3.273 ( -6.669 4.797 0.180) 8.217 3.324 ( -3.814 -3.165 -0.065) 4.957 3.324 ( -3.814 3.165 -0.065) 4.957 3.408 ( -5.339 -5.762 3.258) 8.504 3.408 ( -5.339 5.762 3.258) 8.504 3.568 ( -3.989 -1.812 0.891) 4.471 3.568 ( -3.989 1.812 0.891) 4.471 3.623 ( 3.464 -6.909 -2.699) 8.186 3.623 ( 3.464 6.909 -2.699) 8.186 3.749 ( -2.466 -4.628 -2.459) 5.792 3.749 ( -2.466 4.628 -2.459) 5.792 3.841 ( -3.823 -9.008 6.777) 11.903 3.841 ( -3.823 9.008 6.777) 11.903 3.970 ( -3.804 -2.461 3.587) 5.778 3.970 ( -3.804 2.461 3.587) 5.778 4.066 ( 4.605 -1.338 -1.798) 5.121 4.066 ( 4.605 1.338 -1.798) 5.121 4.254 ( 4.908 -2.418 -0.650) 5.509 4.254 ( 4.908 2.418 -0.650) 5.509 4.340 ( -5.377 -8.719 -2.606) 10.570 4.340 ( -5.377 8.719 -2.606) 10.570 4.475 ( -2.435 -5.685 -3.383) 7.050 4.475 ( -2.435 5.685 -3.383) 7.050 4.745 ( -5.827 -3.438 -5.542) 8.746 4.745 ( -5.827 3.438 -5.542) 8.746 4.918 ( 1.321 -3.550 0.693) 3.850 4.918 ( 1.321 3.550 0.693) 3.850 5.001 ( 2.648 -3.819 -2.762) 5.406 5.001 ( 2.648 3.819 -2.762) 5.406 5.105 ( -0.288 -4.650 4.042) 6.167 5.105 ( -0.288 4.650 4.042) 6.167 5.293 ( 1.168 -3.616 -4.549) 5.927 5.293 ( 1.168 3.616 -4.549) 5.927 5.388 ( -0.383 -3.980 1.169) 4.166 5.388 ( -0.383 3.980 1.169) 4.166 5.664 ( 6.397 -4.995 -0.920) 8.168 5.664 ( 6.397 4.995 -0.920) 8.168 5.788 ( 5.250 -2.076 3.525) 6.656 5.788 ( 5.250 2.076 3.525) 6.656 5.944 ( 1.770 -2.742 -5.009) 5.979 5.944 ( 1.770 2.742 -5.009) 5.979 6.103 ( 7.005 -6.702 2.786) 10.086 6.103 ( 7.005 6.702 2.786) 10.086 6.224 ( 4.453 -2.762 -0.539) 5.267 6.224 ( 4.453 2.762 -0.539) 5.267 6.290 ( -0.212 -4.067 -2.462) 4.759 6.290 ( -0.212 4.067 -2.462) 4.759 6.364 ( 1.981 -6.072 0.181) 6.389 6.364 ( 1.981 6.072 0.181) 6.389 6.497 ( 2.492 -2.161 5.369) 6.301 6.497 ( 2.492 2.161 5.369) 6.301 6.732 ( -1.775 -1.147 5.637) 6.020 6.732 ( -1.775 1.147 5.637) 6.020 6.863 ( -3.085 -0.421 0.353) 3.134 6.863 ( -3.085 0.421 0.353) 3.134 7.156 ( 6.439 -4.799 -0.285) 8.036 7.156 ( 6.439 4.799 -0.285) 8.036 7.364 ( -1.070 -4.980 1.108) 5.213 7.364 ( -1.070 4.980 1.108) 5.213 7.516 ( -1.868 -3.760 -1.015) 4.319 7.516 ( -1.868 3.760 -1.015) 4.319 7.577 ( -2.670 -3.860 2.017) 5.109 7.577 ( -2.670 3.860 2.017) 5.109 7.793 ( 0.465 -4.651 -4.546) 6.520 7.793 ( 0.465 4.651 -4.546) 6.520 7.949 ( -4.161 -1.870 1.255) 4.731 7.949 ( -4.161 1.870 1.255) 4.731 8.191 ( -3.664 -3.806 -1.324) 5.447 8.191 ( -3.664 3.806 -1.324) 5.447 8.275 ( -1.433 -1.527 2.264) 3.084 8.275 ( -1.433 1.527 2.264) 3.084 8.401 ( 0.055 -3.236 1.643) 3.630 8.401 ( 0.055 3.236 1.643) 3.630 8.478 ( 2.843 -2.775 0.755) 4.043 8.478 ( 2.843 2.775 0.755) 4.043 8.763 ( 2.671 -4.096 -0.732) 4.945 8.763 ( 2.671 4.096 -0.732) 4.945 8.893 ( -0.239 -2.791 5.486) 6.159 8.893 ( -0.239 2.791 5.486) 6.159 9.012 ( -7.294 -5.013 0.924) 8.899 9.012 ( -7.294 5.013 0.924) 8.899 9.127 ( -1.648 -3.496 -0.828) 3.953 9.127 ( -1.648 3.496 -0.828) 3.953 9.252 ( -1.225 -1.243 -1.953) 2.619 9.252 ( -1.225 1.243 -1.953) 2.619 9.324 ( -0.161 -3.891 -0.796) 3.974 9.324 ( -0.161 3.891 -0.796) 3.974 9.396 ( 2.909 -2.533 -2.170) 4.426 9.396 ( 2.909 2.533 -2.170) 4.426 9.567 ( 0.357 -2.778 -0.579) 2.860 9.567 ( 0.357 2.778 -0.579) 2.860 9.631 ( -2.208 -6.027 -3.716) 7.417 9.631 ( -2.208 6.027 -3.716) 7.417 9.726 ( -2.113 -2.344 -1.660) 3.565 9.726 ( -2.113 2.344 -1.660) 3.565 9.917 ( -2.318 -3.937 3.470) 5.737 9.917 ( -2.318 3.937 3.470) 5.737 10.229 ( 3.022 -2.896 -2.000) 4.639 10.229 ( 3.022 2.896 -2.000) 4.639 10.371 ( 2.315 -2.155 1.669) 3.576 10.371 ( 2.315 2.155 1.669) 3.576 10.616 ( -2.690 -1.835 0.839) 3.362 10.616 ( -2.690 1.835 0.839) 3.362 10.773 ( -1.296 -6.923 -4.776) 8.510 10.773 ( -1.296 6.923 -4.776) 8.510 10.991 ( -3.211 -7.749 5.117) 9.826 10.991 ( -3.211 7.749 5.117) 9.826 11.448 ( -1.170 -14.390 -6.180) 15.704 11.448 ( -1.170 14.390 -6.180) 15.704 12.034 ( 0.145 -2.693 -1.078) 2.904 12.034 ( 0.145 2.693 -1.078) 2.904 12.613 ( 1.247 -11.734 0.437) 11.809 12.613 ( 1.247 11.734 0.437) 11.809 13.237 ( 6.676 -0.541 -0.617) 6.726 13.237 ( 6.676 0.541 -0.617) 6.726 13.605 ( -3.813 -6.307 -3.361) 8.100 13.605 ( -3.813 6.307 -3.361) 8.100 13.859 ( 2.593 -1.487 3.065) 4.282 13.859 ( 2.593 1.487 3.065) 4.282 14.279 ( -1.656 -3.982 5.275) 6.813 14.279 ( -1.656 3.982 5.275) 6.813 14.334 ( -1.042 -3.179 2.945) 4.457 14.334 ( -1.042 3.179 2.945) 4.457 14.606 ( 0.395 -4.140 -1.625) 4.465 14.606 ( 0.395 4.140 -1.625) 4.465 16.889 ( -4.716 -4.793 -0.724) 6.763 16.889 ( -4.716 4.793 -0.724) 6.763 16.982 ( -6.746 -5.668 -0.301) 8.816 16.982 ( -6.746 5.668 -0.301) 8.816 17.718 ( 3.825 -20.063 0.514) 20.431 17.718 ( 3.825 20.063 0.514) 20.431 18.107 ( 3.975 -5.972 -0.797) 7.218 18.107 ( 3.975 5.972 -0.797) 7.218 18.270 ( -6.030 -2.149 0.043) 6.402 18.270 ( -6.030 2.149 0.043) 6.402 18.704 ( 2.733 -1.032 1.145) 3.137 18.704 ( 2.733 1.032 1.145) 3.137 18.871 ( -4.822 -2.908 -8.155) 9.910 18.871 ( -4.822 2.908 -8.155) 9.910 19.090 ( 2.517 -2.788 -3.137) 4.894 19.090 ( 2.517 2.788 -3.137) 4.894 19.733 ( 6.995 -4.444 6.204) 10.352 19.733 ( 6.995 4.444 6.204) 10.352 20.196 ( 1.216 -1.611 0.491) 2.077 20.196 ( 1.216 1.611 0.491) 2.077 20.539 ( 3.567 -2.889 2.637) 5.294 20.539 ( 3.567 2.889 2.637) 5.294 20.763 ( 7.759 -10.502 -2.068) 13.220 20.763 ( 7.759 10.502 -2.068) 13.220 22.234 ( -2.148 -1.556 0.026) 2.652 22.234 ( -2.148 1.556 0.026) 2.652 22.254 ( -1.857 -0.364 0.027) 1.893 22.254 ( -1.857 0.364 0.027) 1.893 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -1.602 0.000 23.546) 23.600 1.066 ( 0.451 0.000 26.954) 26.958 1.308 ( 1.671 0.000 -22.043) 22.106 1.382 ( -0.346 0.000 21.070) 21.073 1.551 ( -0.253 0.000 -16.966) 16.968 1.770 ( -0.084 0.000 -14.341) 14.342 1.996 ( -2.835 0.000 1.487) 3.201 2.069 ( 0.201 0.000 -5.322) 5.326 2.307 ( 2.942 0.000 8.676) 9.162 2.400 ( -1.859 0.000 -1.003) 2.113 2.409 ( 1.247 0.000 0.241) 1.270 2.423 ( 2.060 0.000 -5.574) 5.942 2.566 ( 4.827 0.000 4.821) 6.823 2.603 ( -1.171 0.000 -0.539) 1.289 2.643 ( 2.261 0.000 0.145) 2.265 2.651 ( -9.263 0.000 -4.144) 10.148 2.706 ( 1.271 0.000 8.312) 8.409 2.733 ( 3.060 0.000 -0.086) 3.061 2.749 ( -4.782 0.000 -0.252) 4.789 2.832 ( 4.536 0.000 1.158) 4.682 2.905 ( -6.703 0.000 -1.722) 6.921 2.982 ( 2.548 0.000 2.208) 3.371 3.009 ( 1.241 0.000 -0.526) 1.348 3.026 ( -2.107 0.000 -8.219) 8.485 3.141 ( 1.567 0.000 0.252) 1.587 3.161 ( 0.073 0.000 -5.504) 5.504 3.208 ( -0.408 0.000 2.154) 2.192 3.231 ( 4.125 0.000 0.794) 4.201 3.354 ( -7.044 0.000 0.069) 7.044 3.367 ( -0.072 0.000 -1.687) 1.688 3.404 ( -1.434 0.000 -0.339) 1.474 3.444 ( 2.364 0.000 -3.981) 4.630 3.501 ( 1.913 0.000 1.955) 2.735 3.506 ( 0.070 0.000 0.754) 0.758 3.536 ( 0.717 0.000 -1.647) 1.797 3.573 ( 2.187 0.000 -2.767) 3.527 3.738 ( -7.549 0.000 1.580) 7.713 3.762 ( -1.219 0.000 0.472) 1.307 3.831 ( 2.329 0.000 -2.852) 3.682 3.878 ( 5.749 0.000 -3.627) 6.798 3.926 ( 1.188 0.000 3.010) 3.236 3.976 ( -4.506 0.000 -2.631) 5.218 4.106 ( 0.819 0.000 2.627) 2.751 4.199 ( 1.781 0.000 -4.972) 5.281 4.252 ( 0.515 0.000 1.608) 1.688 4.288 ( -2.200 0.000 -2.277) 3.166 4.350 ( 1.613 0.000 4.909) 5.168 4.440 ( 0.124 0.000 -1.780) 1.784 4.570 ( 1.226 0.000 15.145) 15.194 4.624 ( 0.795 0.000 0.455) 0.916 4.642 ( -0.833 0.000 -1.139) 1.411 4.779 ( -1.479 0.000 -0.838) 1.700 4.858 ( -1.289 0.000 -6.299) 6.429 4.859 ( 0.661 0.000 -11.092) 11.111 5.143 ( 1.354 0.000 6.002) 6.153 5.175 ( -1.565 0.000 4.720) 4.973 5.208 ( -0.755 0.000 3.229) 3.316 5.290 ( 0.292 0.000 -1.778) 1.802 5.307 ( -0.108 0.000 -0.594) 0.603 5.421 ( 0.923 0.000 -3.847) 3.956 5.482 ( 11.356 0.000 5.615) 12.668 5.542 ( -2.185 0.000 2.885) 3.619 5.573 ( 0.543 0.000 -6.309) 6.332 5.625 ( -6.433 0.000 -5.166) 8.251 5.748 ( 6.309 0.000 -0.972) 6.383 5.773 ( -8.373 0.000 -4.698) 9.601 5.840 ( 6.016 0.000 2.325) 6.450 5.875 ( -5.902 0.000 -1.166) 6.016 5.892 ( 0.581 0.000 4.810) 4.845 5.938 ( -1.861 0.000 0.619) 1.961 6.195 ( -2.232 0.000 1.013) 2.451 6.198 ( 0.756 0.000 1.149) 1.375 6.373 ( -0.488 0.000 3.453) 3.487 6.399 ( 3.272 0.000 -0.795) 3.367 6.411 ( -2.148 0.000 -0.147) 2.153 6.474 ( -1.359 0.000 -5.126) 5.303 6.626 ( -5.221 0.000 0.464) 5.241 6.647 ( 0.925 0.000 0.364) 0.994 6.700 ( -5.678 0.000 3.572) 6.708 6.706 ( 9.997 0.000 2.540) 10.314 6.850 ( 7.284 0.000 1.200) 7.382 6.873 ( -6.603 0.000 1.241) 6.718 7.198 ( 5.519 0.000 3.600) 6.589 7.198 ( -2.537 0.000 3.472) 4.300 7.293 ( 4.682 0.000 5.167) 6.973 7.335 ( -0.631 0.000 -3.155) 3.217 7.392 ( -3.770 0.000 0.838) 3.862 7.402 ( -0.044 0.000 -2.479) 2.480 7.518 ( -2.231 0.000 -0.502) 2.287 7.571 ( -1.459 0.000 -2.969) 3.308 7.677 ( -4.546 0.000 -1.024) 4.660 7.733 ( 6.156 0.000 -7.360) 9.595 7.923 ( -1.573 0.000 1.738) 2.344 7.934 ( -2.561 0.000 0.687) 2.652 8.156 ( 0.755 0.000 1.242) 1.453 8.162 ( -0.781 0.000 0.536) 0.947 8.246 ( 1.059 0.000 0.896) 1.388 8.269 ( 3.005 0.000 -1.568) 3.389 8.368 ( -1.685 0.000 1.760) 2.437 8.432 ( 0.592 0.000 -3.799) 3.845 8.537 ( -9.787 0.000 1.336) 9.878 8.579 ( 4.317 0.000 -3.624) 5.636 8.631 ( -1.053 0.000 -0.953) 1.420 8.657 ( 6.456 0.000 -3.231) 7.219 8.873 ( 12.557 0.000 -0.131) 12.558 8.876 ( -8.966 0.000 3.992) 9.814 8.888 ( 2.886 0.000 0.547) 2.937 8.964 ( -6.474 0.000 -3.541) 7.379 9.125 ( -3.750 0.000 1.978) 4.239 9.167 ( -1.824 0.000 3.791) 4.207 9.171 ( 4.490 0.000 -2.659) 5.218 9.262 ( -0.936 0.000 -5.498) 5.577 9.312 ( -2.096 0.000 5.137) 5.548 9.314 ( 1.058 0.000 3.558) 3.712 9.443 ( 2.006 0.000 3.924) 4.407 9.467 ( -1.008 0.000 2.471) 2.669 9.530 ( -2.985 0.000 -2.042) 3.616 9.537 ( 4.397 0.000 1.038) 4.518 9.656 ( -1.167 0.000 -1.240) 1.702 9.704 ( 1.397 0.000 -4.368) 4.586 9.722 ( 3.210 0.000 0.573) 3.261 9.753 ( -2.276 0.000 -1.040) 2.502 10.083 ( 0.365 0.000 1.227) 1.280 10.122 ( -1.842 0.000 -2.680) 3.252 10.231 ( 1.381 0.000 6.661) 6.803 10.307 ( -0.649 0.000 -1.404) 1.546 10.379 ( 1.643 0.000 0.721) 1.794 10.395 ( -9.250 0.000 1.703) 9.405 10.417 ( 2.460 0.000 -1.673) 2.975 10.447 ( 5.696 0.000 -2.354) 6.163 10.782 ( 1.687 0.000 2.153) 2.735 10.790 ( -4.160 0.000 4.780) 6.337 10.853 ( -1.088 0.000 1.223) 1.637 10.982 ( 2.918 0.000 -9.184) 9.637 11.526 ( -2.028 0.000 8.357) 8.599 11.700 ( 1.582 0.000 -10.070) 10.193 11.912 ( -4.524 0.000 -0.896) 4.612 11.940 ( 5.485 0.000 -3.658) 6.593 12.405 ( -2.091 0.000 5.104) 5.516 12.487 ( 3.620 0.000 -3.882) 5.308 13.402 ( 1.672 0.000 1.360) 2.155 13.424 ( -1.282 0.000 -0.862) 1.545 13.662 ( -0.423 0.000 9.575) 9.584 13.707 ( 2.671 0.000 3.647) 4.521 13.764 ( -2.788 0.000 -2.216) 3.562 13.837 ( 0.851 0.000 -9.213) 9.252 14.263 ( -0.139 0.000 2.659) 2.662 14.273 ( -1.420 0.000 1.064) 1.774 14.331 ( -1.166 0.000 3.966) 4.133 14.418 ( 2.205 0.000 -4.411) 4.932 14.702 ( -5.551 0.000 0.478) 5.572 14.711 ( 3.130 0.000 -0.426) 3.158 16.667 ( 2.698 0.000 0.055) 2.698 16.677 ( -3.643 0.000 -1.066) 3.796 16.889 ( -0.511 0.000 3.013) 3.056 16.941 ( 0.994 0.000 -2.495) 2.685 17.249 ( 2.467 0.000 4.377) 5.024 17.328 ( -2.839 0.000 -4.047) 4.944 18.183 ( 0.799 0.000 0.357) 0.875 18.186 ( -0.982 0.000 -0.041) 0.982 18.245 ( -2.540 0.000 3.157) 4.052 18.309 ( 1.357 0.000 -3.568) 3.817 18.605 ( -1.132 0.000 1.493) 1.873 18.646 ( 1.756 0.000 -2.648) 3.177 18.806 ( 5.943 0.000 1.600) 6.154 18.814 ( -5.960 0.000 0.569) 5.987 19.171 ( -1.538 0.000 -0.084) 1.540 19.176 ( 1.957 0.000 -0.818) 2.121 20.065 ( 4.717 0.000 3.820) 6.070 20.092 ( 0.272 0.000 0.602) 0.661 20.228 ( -3.341 0.000 -1.528) 3.674 20.238 ( -0.959 0.000 -2.737) 2.900 20.443 ( 2.419 0.000 3.132) 3.958 20.507 ( -0.731 0.000 -3.572) 3.646 20.930 ( 1.274 0.000 1.177) 1.735 20.957 ( 0.756 0.000 -1.615) 1.783 22.190 ( 0.881 0.000 0.522) 1.024 22.201 ( -1.005 0.000 -0.663) 1.204 22.255 ( -1.460 0.000 0.317) 1.494 22.259 ( 0.666 0.000 -0.081) 0.671 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 6.097 0.000 20.313) 21.208 1.189 ( 4.886 0.000 -17.017) 17.705 1.357 ( 11.098 0.000 19.482) 22.421 1.466 ( 9.086 0.000 -22.556) 24.317 1.806 ( 21.236 0.000 12.779) 24.784 1.890 ( 20.265 0.000 -10.323) 22.743 2.015 ( 1.889 0.000 5.127) 5.464 2.106 ( 5.748 0.000 -1.698) 5.994 2.320 ( -0.241 0.000 3.152) 3.161 2.334 ( -5.654 0.000 -7.842) 9.667 2.435 ( -0.291 0.000 -1.341) 1.372 2.436 ( 2.658 0.000 -1.569) 3.086 2.499 ( -4.473 0.000 -0.455) 4.496 2.538 ( -3.815 0.000 0.106) 3.816 2.565 ( -7.512 0.000 -0.550) 7.532 2.697 ( 0.830 0.000 0.803) 1.155 2.727 ( 4.450 0.000 7.044) 8.332 2.793 ( 2.787 0.000 -3.163) 4.215 2.845 ( 0.094 0.000 11.681) 11.682 2.864 ( 6.234 0.000 0.331) 6.243 2.884 ( -2.683 0.000 -1.175) 2.929 3.016 ( 3.783 0.000 0.588) 3.828 3.029 ( -0.086 0.000 -3.526) 3.527 3.070 ( 4.289 0.000 -3.582) 5.588 3.112 ( 2.608 0.000 -8.435) 8.829 3.133 ( -0.036 0.000 5.069) 5.069 3.194 ( 1.450 0.000 -0.808) 1.660 3.248 ( 5.446 0.000 2.648) 6.056 3.314 ( -6.870 0.000 -0.975) 6.939 3.364 ( 0.382 0.000 -1.358) 1.411 3.440 ( 4.790 0.000 4.649) 6.676 3.491 ( 3.303 0.000 -3.293) 4.664 3.502 ( 0.191 0.000 1.519) 1.531 3.537 ( -1.845 0.000 -1.217) 2.210 3.562 ( -1.389 0.000 -0.173) 1.400 3.595 ( 7.339 0.000 -1.754) 7.546 3.695 ( 3.266 0.000 -1.252) 3.498 3.729 ( -2.289 0.000 4.234) 4.813 3.840 ( -5.992 0.000 -4.123) 7.274 3.872 ( -0.897 0.000 -2.786) 2.927 3.900 ( -0.814 0.000 2.219) 2.364 3.961 ( 3.007 0.000 1.460) 3.343 4.094 ( 1.042 0.000 0.165) 1.055 4.183 ( 1.237 0.000 -4.896) 5.050 4.258 ( -0.925 0.000 0.411) 1.013 4.278 ( -3.987 0.000 -0.832) 4.073 4.380 ( -1.116 0.000 -3.072) 3.269 4.412 ( 1.422 0.000 4.472) 4.693 4.637 ( -0.651 0.000 -2.591) 2.671 4.660 ( 3.411 0.000 -0.523) 3.451 4.694 ( 1.024 0.000 13.884) 13.921 4.732 ( -0.499 0.000 -8.594) 8.608 4.861 ( 3.569 0.000 0.470) 3.600 4.883 ( 7.962 0.000 -2.284) 8.283 5.069 ( -7.063 0.000 6.571) 9.647 5.114 ( -4.168 0.000 -2.388) 4.803 5.233 ( -17.404 0.000 -4.874) 18.073 5.304 ( 2.496 0.000 1.547) 2.937 5.342 ( -7.498 0.000 -7.830) 10.842 5.352 ( 1.084 0.000 2.380) 2.615 5.366 ( 5.735 0.000 1.587) 5.950 5.467 ( -7.200 0.000 -4.019) 8.246 5.549 ( -4.602 0.000 -1.689) 4.902 5.636 ( -1.100 0.000 6.438) 6.531 5.653 ( -2.952 0.000 -3.622) 4.673 5.757 ( -0.564 0.000 -1.323) 1.439 5.808 ( -4.413 0.000 2.439) 5.042 5.893 ( 1.916 0.000 2.569) 3.205 5.921 ( -0.665 0.000 -0.483) 0.822 5.970 ( 0.035 0.000 5.179) 5.179 6.173 ( -1.072 0.000 1.586) 1.914 6.219 ( 0.962 0.000 2.680) 2.847 6.364 ( 1.672 0.000 -1.138) 2.023 6.373 ( -5.228 0.000 -2.241) 5.688 6.415 ( -1.776 0.000 3.236) 3.691 6.456 ( -8.823 0.000 -1.191) 8.903 6.463 ( 2.427 0.000 -1.875) 3.067 6.650 ( -6.107 0.000 1.987) 6.422 6.655 ( -0.209 0.000 0.667) 0.699 6.733 ( -4.010 0.000 -1.827) 4.406 6.780 ( -3.671 0.000 5.781) 6.848 6.943 ( 3.217 0.000 -1.100) 3.400 7.161 ( -3.859 0.000 1.506) 4.143 7.282 ( -1.901 0.000 -4.397) 4.790 7.289 ( -2.440 0.000 -4.457) 5.081 7.339 ( 1.409 0.000 -1.077) 1.773 7.421 ( -1.529 0.000 0.240) 1.547 7.432 ( 11.763 0.000 2.436) 12.012 7.505 ( -4.246 0.000 5.049) 6.597 7.592 ( 4.648 0.000 -2.766) 5.409 7.644 ( 6.530 0.000 2.590) 7.024 7.726 ( -1.008 0.000 -1.641) 1.926 7.941 ( 1.848 0.000 3.259) 3.747 8.021 ( 7.673 0.000 1.790) 7.879 8.165 ( -0.852 0.000 0.373) 0.930 8.207 ( 0.375 0.000 -0.636) 0.738 8.273 ( 3.857 0.000 -0.349) 3.873 8.295 ( 0.380 0.000 -3.328) 3.350 8.340 ( -0.569 0.000 2.942) 2.997 8.387 ( -1.251 0.000 -1.779) 2.175 8.429 ( -2.121 0.000 3.766) 4.322 8.590 ( -0.616 0.000 -3.210) 3.269 8.596 ( -9.763 0.000 1.402) 9.863 8.738 ( 4.665 0.000 -3.335) 5.735 8.744 ( 5.747 0.000 -2.761) 6.376 8.821 ( -4.882 0.000 -7.283) 8.768 9.020 ( 3.962 0.000 5.157) 6.503 9.055 ( -3.623 0.000 0.702) 3.691 9.096 ( 8.227 0.000 2.958) 8.743 9.159 ( -4.255 0.000 6.736) 7.967 9.193 ( -2.632 0.000 -4.141) 4.907 9.240 ( 6.908 0.000 -1.086) 6.993 9.324 ( 1.746 0.000 0.726) 1.891 9.392 ( 3.135 0.000 0.479) 3.171 9.446 ( -2.945 0.000 0.289) 2.959 9.447 ( -0.332 0.000 0.978) 1.033 9.532 ( 3.013 0.000 1.321) 3.290 9.590 ( 2.227 0.000 -4.917) 5.398 9.644 ( -1.353 0.000 2.573) 2.907 9.702 ( -0.075 0.000 -2.672) 2.673 9.767 ( 5.193 0.000 0.587) 5.226 9.843 ( 6.335 0.000 -1.870) 6.606 10.056 ( -3.392 0.000 -2.148) 4.015 10.073 ( -2.678 0.000 3.189) 4.165 10.204 ( -9.274 0.000 4.570) 10.339 10.285 ( 0.215 0.000 -4.154) 4.160 10.315 ( 0.586 0.000 2.116) 2.196 10.389 ( 0.273 0.000 -1.083) 1.117 10.452 ( 2.361 0.000 -2.302) 3.298 10.539 ( 3.747 0.000 0.464) 3.775 10.770 ( -0.080 0.000 2.134) 2.136 10.823 ( 0.623 0.000 2.636) 2.708 10.860 ( 0.358 0.000 3.531) 3.549 10.992 ( 4.190 0.000 -8.166) 9.179 11.559 ( -0.775 0.000 9.145) 9.178 11.678 ( 1.571 0.000 -6.930) 7.106 11.822 ( -4.043 0.000 -2.461) 4.733 12.011 ( 4.065 0.000 -3.371) 5.281 12.463 ( 4.970 0.000 5.687) 7.552 12.597 ( 11.150 0.000 -7.924) 13.679 13.381 ( -2.210 0.000 -1.692) 2.783 13.421 ( -0.406 0.000 1.238) 1.303 13.628 ( -5.484 0.000 1.393) 5.658 13.682 ( -5.117 0.000 -1.901) 5.459 13.763 ( 0.477 0.000 4.516) 4.541 13.851 ( 4.142 0.000 -4.165) 5.874 14.243 ( -2.269 0.000 0.744) 2.388 14.267 ( -1.262 0.000 2.484) 2.786 14.332 ( -1.409 0.000 3.375) 3.657 14.427 ( 1.968 0.000 -4.800) 5.188 14.594 ( -6.565 0.000 4.711) 8.080 14.743 ( 0.247 0.000 -0.287) 0.379 16.641 ( -0.240 0.000 1.502) 1.521 16.748 ( 4.373 0.000 -0.951) 4.475 16.939 ( 4.030 0.000 2.127) 4.557 16.981 ( 5.074 0.000 -2.664) 5.731 17.317 ( 4.624 0.000 -3.332) 5.699 17.391 ( 9.450 0.000 4.391) 10.420 18.173 ( -1.104 0.000 1.343) 1.739 18.213 ( 1.603 0.000 -0.288) 1.629 18.285 ( 4.847 0.000 1.919) 5.213 18.346 ( 4.509 0.000 -1.096) 4.640 18.593 ( -1.355 0.000 1.537) 2.049 18.663 ( 2.513 0.000 -3.383) 4.214 18.731 ( -3.557 0.000 -0.142) 3.560 18.939 ( 6.863 0.000 1.026) 6.940 19.106 ( -4.674 0.000 -0.190) 4.678 19.178 ( -0.868 0.000 -0.950) 1.287 19.949 ( -11.133 0.000 -4.172) 11.889 20.005 ( -9.271 0.000 -1.580) 9.405 20.218 ( -0.275 0.000 1.845) 1.865 20.233 ( -1.062 0.000 2.172) 2.417 20.441 ( -3.334 0.000 -3.945) 5.165 20.471 ( -1.129 0.000 1.331) 1.745 20.823 ( -12.480 0.000 4.074) 13.128 20.878 ( -6.992 0.000 -4.460) 8.293 22.200 ( 1.263 0.000 -0.429) 1.334 22.230 ( 2.863 0.000 0.630) 2.931 22.275 ( 2.661 0.000 -0.322) 2.681 22.291 ( 2.020 0.000 0.789) 2.169 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 18.818 0.000 -11.071) 21.833 1.364 ( 16.688 0.000 13.470) 21.446 1.565 ( 16.455 0.000 -18.748) 24.945 1.730 ( 15.863 0.000 17.775) 23.823 1.985 ( -0.388 0.000 2.553) 2.582 2.169 ( -3.694 0.000 -1.025) 3.834 2.183 ( 1.356 0.000 -5.005) 5.185 2.233 ( 7.562 0.000 2.046) 7.833 2.248 ( 13.871 0.000 0.629) 13.885 2.359 ( -5.077 0.000 -0.619) 5.115 2.372 ( 1.156 0.000 1.865) 2.194 2.402 ( -1.550 0.000 2.062) 2.579 2.470 ( -0.899 0.000 2.932) 3.067 2.504 ( 2.790 0.000 0.089) 2.791 2.532 ( 1.513 0.000 2.410) 2.845 2.717 ( -10.351 0.000 1.439) 10.451 2.720 ( 1.481 0.000 0.320) 1.515 2.791 ( -8.436 0.000 4.301) 9.469 2.808 ( 2.542 0.000 -5.879) 6.405 2.838 ( 6.131 0.000 -1.340) 6.276 2.991 ( -1.774 0.000 0.168) 1.782 3.051 ( 2.681 0.000 -5.203) 5.853 3.061 ( 2.625 0.000 0.403) 2.656 3.105 ( 6.058 0.000 -8.675) 10.581 3.178 ( 3.110 0.000 3.736) 4.861 3.193 ( 3.287 0.000 0.687) 3.358 3.283 ( 3.000 0.000 8.391) 8.911 3.283 ( 4.168 0.000 0.560) 4.206 3.350 ( 2.712 0.000 -7.053) 7.556 3.374 ( -1.454 0.000 -0.344) 1.494 3.458 ( 0.444 0.000 1.371) 1.442 3.470 ( -3.794 0.000 2.109) 4.341 3.497 ( 2.721 0.000 5.771) 6.381 3.517 ( 2.120 0.000 -3.105) 3.760 3.643 ( 1.608 0.000 0.572) 1.707 3.689 ( 6.509 0.000 5.589) 8.580 3.714 ( 3.186 0.000 -0.081) 3.187 3.753 ( 2.592 0.000 -3.478) 4.338 3.792 ( 0.071 0.000 2.510) 2.511 3.867 ( 6.360 0.000 -7.287) 9.672 3.976 ( 4.700 0.000 4.501) 6.508 4.048 ( 5.637 0.000 4.774) 7.387 4.078 ( -7.526 0.000 -2.209) 7.843 4.113 ( -5.409 0.000 -11.619) 12.816 4.186 ( 7.678 0.000 -2.798) 8.172 4.294 ( 1.265 0.000 0.820) 1.508 4.382 ( 0.080 0.000 1.492) 1.494 4.453 ( 1.823 0.000 -0.297) 1.847 4.578 ( -4.033 0.000 -5.563) 6.871 4.649 ( -3.692 0.000 -1.718) 4.072 4.724 ( 4.073 0.000 -2.155) 4.608 4.800 ( 0.532 0.000 14.397) 14.407 4.801 ( -19.369 0.000 1.482) 19.426 4.988 ( 4.688 0.000 -0.277) 4.696 4.991 ( -1.522 0.000 -3.233) 3.573 5.009 ( -5.451 0.000 6.753) 8.678 5.073 ( 4.206 0.000 -1.184) 4.369 5.177 ( -4.269 0.000 -3.888) 5.774 5.292 ( -3.738 0.000 -4.670) 5.982 5.329 ( -8.470 0.000 0.529) 8.486 5.367 ( -4.144 0.000 -0.736) 4.209 5.442 ( 0.807 0.000 -1.437) 1.648 5.445 ( 3.777 0.000 0.526) 3.813 5.600 ( -1.821 0.000 0.256) 1.839 5.641 ( 2.792 0.000 -0.444) 2.827 5.704 ( -7.200 0.000 0.514) 7.218 5.779 ( -2.124 0.000 0.650) 2.221 5.843 ( -7.056 0.000 2.755) 7.575 5.922 ( 3.005 0.000 -2.943) 4.206 5.944 ( -5.375 0.000 5.086) 7.400 6.150 ( -4.370 0.000 1.855) 4.747 6.192 ( -8.627 0.000 -3.772) 9.415 6.297 ( 0.435 0.000 -1.234) 1.308 6.299 ( -0.183 0.000 -0.065) 0.194 6.420 ( -0.942 0.000 -0.216) 0.966 6.445 ( 0.009 0.000 3.925) 3.925 6.472 ( 0.022 0.000 -1.927) 1.927 6.581 ( 1.976 0.000 6.443) 6.739 6.626 ( -3.897 0.000 -0.890) 3.997 6.717 ( -3.801 0.000 1.428) 4.060 6.725 ( 1.421 0.000 -0.836) 1.649 6.929 ( -3.561 0.000 -0.537) 3.602 7.080 ( -3.938 0.000 -3.403) 5.205 7.186 ( -3.454 0.000 -3.068) 4.620 7.279 ( 0.933 0.000 -0.962) 1.340 7.322 ( -2.362 0.000 1.167) 2.634 7.421 ( -1.392 0.000 7.152) 7.286 7.466 ( -0.240 0.000 1.177) 1.201 7.621 ( 7.640 0.000 -2.184) 7.946 7.663 ( 4.189 0.000 -4.070) 5.840 7.717 ( 0.967 0.000 0.397) 1.045 7.823 ( 6.808 0.000 3.433) 7.625 8.022 ( 2.838 0.000 5.287) 6.001 8.129 ( 0.947 0.000 0.290) 0.990 8.158 ( -1.495 0.000 -1.034) 1.818 8.170 ( 4.706 0.000 -0.092) 4.707 8.280 ( -0.590 0.000 3.722) 3.769 8.350 ( -0.019 0.000 1.853) 1.853 8.368 ( 1.581 0.000 -2.178) 2.691 8.394 ( -0.340 0.000 -0.685) 0.765 8.437 ( -0.737 0.000 1.587) 1.750 8.455 ( 1.405 0.000 1.348) 1.947 8.595 ( 2.157 0.000 -3.764) 4.338 8.712 ( -1.127 0.000 -7.339) 7.426 8.793 ( 3.265 0.000 -3.264) 4.617 8.833 ( 3.727 0.000 -2.908) 4.728 8.977 ( -5.021 0.000 1.539) 5.251 9.113 ( -3.046 0.000 -1.612) 3.446 9.131 ( 3.277 0.000 2.357) 4.037 9.154 ( 1.429 0.000 9.657) 9.762 9.169 ( -0.311 0.000 0.101) 0.327 9.310 ( -2.318 0.000 -3.001) 3.792 9.355 ( 0.553 0.000 -4.371) 4.406 9.448 ( 7.237 0.000 1.384) 7.368 9.483 ( 3.510 0.000 5.762) 6.747 9.489 ( 2.910 0.000 -2.255) 3.681 9.514 ( -2.324 0.000 -4.908) 5.430 9.581 ( -0.761 0.000 -2.293) 2.416 9.647 ( 2.474 0.000 3.579) 4.350 9.732 ( 3.282 0.000 -0.469) 3.315 9.873 ( 3.021 0.000 5.578) 6.344 9.887 ( -0.609 0.000 1.993) 2.084 9.992 ( -0.467 0.000 -5.364) 5.384 10.038 ( -3.584 0.000 4.433) 5.701 10.072 ( -8.035 0.000 4.573) 9.245 10.257 ( -1.420 0.000 -2.245) 2.656 10.330 ( -0.918 0.000 2.192) 2.377 10.369 ( 0.103 0.000 -5.686) 5.687 10.479 ( 2.661 0.000 -2.801) 3.863 10.576 ( -0.393 0.000 1.892) 1.933 10.800 ( 2.480 0.000 -1.911) 3.131 10.828 ( -1.809 0.000 2.591) 3.161 10.905 ( 0.909 0.000 5.362) 5.438 11.021 ( 4.282 0.000 -7.218) 8.393 11.601 ( -1.651 0.000 9.686) 9.826 11.652 ( -2.010 0.000 1.329) 2.410 11.768 ( 2.151 0.000 -7.380) 7.687 12.018 ( -0.191 0.000 -5.485) 5.489 12.638 ( 7.493 0.000 9.252) 11.906 12.757 ( 11.884 0.000 -7.901) 14.271 13.324 ( -1.851 0.000 -4.669) 5.023 13.398 ( -2.689 0.000 -1.455) 3.057 13.556 ( -2.599 0.000 0.664) 2.683 13.566 ( -5.300 0.000 -0.795) 5.359 13.786 ( -1.469 0.000 5.414) 5.610 13.878 ( 1.314 0.000 -3.210) 3.468 14.213 ( -1.183 0.000 0.366) 1.238 14.248 ( -2.210 0.000 1.599) 2.728 14.327 ( -1.807 0.000 4.474) 4.826 14.428 ( 1.691 0.000 -5.094) 5.367 14.545 ( -3.007 0.000 5.965) 6.680 14.722 ( -0.991 0.000 -2.744) 2.917 16.671 ( 0.449 0.000 5.409) 5.428 16.791 ( 1.875 0.000 -2.058) 2.784 17.036 ( 4.500 0.000 1.409) 4.716 17.067 ( 5.380 0.000 -2.214) 5.818 17.466 ( 13.315 0.000 -0.755) 13.337 17.608 ( 10.851 0.000 3.091) 11.283 18.157 ( -2.697 0.000 3.268) 4.237 18.199 ( -3.284 0.000 -1.383) 3.563 18.412 ( 8.056 0.000 -2.540) 8.447 18.439 ( 4.166 0.000 1.827) 4.549 18.580 ( -0.670 0.000 1.068) 1.261 18.678 ( -1.204 0.000 0.045) 1.205 18.712 ( 4.620 0.000 -2.488) 5.247 18.941 ( -6.285 0.000 2.986) 6.959 19.134 ( 6.947 0.000 -0.856) 7.000 19.147 ( -1.376 0.000 -1.430) 1.985 19.730 ( -7.605 0.000 -7.869) 10.943 19.789 ( -11.843 0.000 -2.722) 12.152 20.199 ( -4.500 0.000 3.198) 5.521 20.204 ( -2.404 0.000 0.878) 2.559 20.358 ( -3.290 0.000 -1.913) 3.806 20.425 ( -3.276 0.000 -1.209) 3.492 20.609 ( -13.937 0.000 7.713) 15.929 20.692 ( -8.038 0.000 -6.845) 10.558 22.236 ( 2.590 0.000 0.126) 2.593 22.285 ( 2.360 0.000 0.386) 2.392 22.321 ( 2.655 0.000 -1.264) 2.941 22.324 ( 0.690 0.000 1.226) 1.407 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 22.725 0.000 -2.927) 22.913 1.752 ( 17.916 0.000 1.548) 17.983 1.800 ( 16.471 0.000 -4.413) 17.052 1.964 ( -4.848 0.000 1.093) 4.969 1.998 ( -15.743 0.000 2.324) 15.914 2.084 ( -0.957 0.000 6.939) 7.004 2.125 ( -8.833 0.000 3.817) 9.623 2.126 ( 5.290 0.000 2.384) 5.802 2.199 ( -3.992 0.000 0.869) 4.085 2.421 ( 1.676 0.000 -3.403) 3.793 2.444 ( 4.105 0.000 1.325) 4.314 2.485 ( 5.045 0.000 -2.697) 5.720 2.488 ( 0.140 0.000 2.479) 2.483 2.564 ( 1.275 0.000 1.937) 2.319 2.584 ( 3.165 0.000 3.543) 4.751 2.647 ( -7.145 0.000 2.470) 7.560 2.706 ( 2.157 0.000 4.082) 4.617 2.764 ( 2.166 0.000 -4.153) 4.683 2.791 ( -0.954 0.000 -0.888) 1.304 2.910 ( -4.240 0.000 0.490) 4.269 2.940 ( 3.192 0.000 -2.726) 4.197 3.038 ( -0.119 0.000 5.370) 5.371 3.053 ( -0.382 0.000 -7.010) 7.021 3.120 ( -1.260 0.000 -3.404) 3.630 3.192 ( -3.304 0.000 -2.682) 4.256 3.234 ( 4.322 0.000 -1.253) 4.500 3.301 ( -0.716 0.000 0.762) 1.046 3.330 ( 1.409 0.000 4.000) 4.241 3.351 ( 0.626 0.000 -3.808) 3.859 3.377 ( -0.617 0.000 4.974) 5.012 3.457 ( -0.966 0.000 -4.287) 4.395 3.496 ( 3.949 0.000 3.408) 5.216 3.563 ( 5.141 0.000 -4.046) 6.542 3.647 ( 0.472 0.000 4.474) 4.499 3.697 ( 3.273 0.000 0.756) 3.359 3.698 ( -3.911 0.000 0.525) 3.946 3.788 ( 6.519 0.000 -5.516) 8.540 3.816 ( -4.891 0.000 -2.265) 5.390 3.840 ( 2.031 0.000 -1.089) 2.304 3.894 ( 6.829 0.000 -3.648) 7.743 3.952 ( -13.889 0.000 9.002) 16.552 4.021 ( 5.704 0.000 -11.118) 12.495 4.113 ( 7.282 0.000 -0.170) 7.284 4.198 ( 3.290 0.000 6.169) 6.992 4.251 ( 2.518 0.000 -2.158) 3.316 4.280 ( 3.778 0.000 -2.025) 4.286 4.368 ( -8.172 0.000 -2.527) 8.554 4.398 ( 2.184 0.000 -2.766) 3.524 4.580 ( 13.217 0.000 6.735) 14.834 4.641 ( 2.147 0.000 0.611) 2.233 4.695 ( 4.633 0.000 -0.501) 4.660 4.765 ( 0.292 0.000 -1.322) 1.354 4.796 ( -7.997 0.000 5.781) 9.868 4.842 ( -18.630 0.000 0.995) 18.656 4.923 ( -5.639 0.000 1.929) 5.960 4.989 ( -5.568 0.000 0.290) 5.575 5.094 ( 4.852 0.000 2.858) 5.632 5.152 ( 0.192 0.000 2.933) 2.939 5.229 ( 0.282 0.000 0.312) 0.421 5.294 ( -1.417 0.000 -4.734) 4.941 5.352 ( 7.991 0.000 -1.436) 8.119 5.414 ( -1.843 0.000 -2.070) 2.772 5.535 ( -3.524 0.000 -2.519) 4.332 5.553 ( 0.518 0.000 -1.781) 1.855 5.582 ( -1.555 0.000 1.177) 1.951 5.641 ( -4.848 0.000 -4.660) 6.725 5.762 ( 4.994 0.000 -0.256) 5.001 5.784 ( -2.712 0.000 6.113) 6.688 5.880 ( -5.049 0.000 6.123) 7.936 5.955 ( 2.384 0.000 -4.168) 4.801 6.019 ( -5.282 0.000 -2.495) 5.842 6.053 ( -6.078 0.000 0.519) 6.100 6.319 ( 1.467 0.000 -0.123) 1.472 6.331 ( 1.422 0.000 0.502) 1.508 6.370 ( -1.565 0.000 1.178) 1.958 6.433 ( -3.334 0.000 -2.561) 4.204 6.486 ( 0.986 0.000 2.270) 2.475 6.546 ( -1.741 0.000 -0.620) 1.848 6.683 ( -1.023 0.000 -0.965) 1.406 6.693 ( 3.666 0.000 -1.938) 4.147 6.767 ( 1.643 0.000 9.817) 9.953 6.861 ( -3.149 0.000 1.832) 3.643 7.004 ( -0.931 0.000 -4.295) 4.395 7.101 ( -3.913 0.000 -3.647) 5.350 7.302 ( 1.629 0.000 -0.250) 1.648 7.307 ( -0.535 0.000 1.413) 1.511 7.453 ( 0.152 0.000 9.016) 9.017 7.504 ( 1.725 0.000 3.631) 4.020 7.626 ( -2.286 0.000 -2.963) 3.742 7.714 ( 4.303 0.000 -8.881) 9.868 7.753 ( 1.203 0.000 2.078) 2.401 7.863 ( -1.106 0.000 -2.699) 2.917 8.090 ( -0.197 0.000 4.227) 4.231 8.154 ( 1.320 0.000 -0.143) 1.328 8.160 ( -0.235 0.000 6.202) 6.206 8.213 ( 1.279 0.000 -2.287) 2.620 8.309 ( -0.451 0.000 -1.711) 1.769 8.337 ( 2.579 0.000 1.588) 3.028 8.377 ( 1.609 0.000 0.895) 1.841 8.423 ( 0.712 0.000 1.943) 2.069 8.480 ( 1.291 0.000 0.420) 1.358 8.492 ( 0.228 0.000 4.205) 4.211 8.620 ( 4.432 0.000 -5.538) 7.093 8.667 ( 0.089 0.000 -7.084) 7.084 8.815 ( 0.905 0.000 -1.625) 1.860 8.836 ( -0.617 0.000 -2.726) 2.795 8.927 ( -0.864 0.000 2.299) 2.456 9.047 ( -3.357 0.000 -2.327) 4.085 9.144 ( -0.938 0.000 -0.585) 1.105 9.192 ( 2.117 0.000 -0.076) 2.118 9.229 ( -2.989 0.000 -2.488) 3.889 9.294 ( 4.959 0.000 10.632) 11.732 9.306 ( -1.638 0.000 -4.658) 4.937 9.431 ( -3.212 0.000 -0.571) 3.263 9.444 ( -1.976 0.000 -2.711) 3.355 9.534 ( -3.145 0.000 -1.934) 3.692 9.602 ( 4.348 0.000 6.648) 7.944 9.623 ( 7.551 0.000 0.868) 7.600 9.753 ( -1.286 0.000 -0.992) 1.624 9.765 ( 3.796 0.000 -0.111) 3.798 9.884 ( 1.269 0.000 3.747) 3.956 9.929 ( -1.514 0.000 4.270) 4.530 9.980 ( -3.708 0.000 2.962) 4.746 9.990 ( 4.302 0.000 -5.898) 7.300 10.021 ( -1.099 0.000 5.712) 5.816 10.193 ( -4.078 0.000 -1.602) 4.382 10.304 ( -3.748 0.000 2.822) 4.692 10.351 ( 2.375 0.000 -5.809) 6.276 10.519 ( 3.886 0.000 -3.134) 4.993 10.548 ( -3.049 0.000 -0.932) 3.188 10.799 ( -3.011 0.000 2.832) 4.134 10.825 ( 2.163 0.000 -2.785) 3.526 10.932 ( -2.067 0.000 5.754) 6.114 11.050 ( 3.737 0.000 -7.006) 7.940 11.611 ( -4.031 0.000 9.425) 10.251 11.674 ( 2.454 0.000 5.890) 6.381 11.785 ( 4.658 0.000 -8.448) 9.647 11.952 ( -1.724 0.000 -8.344) 8.520 12.788 ( 1.075 0.000 10.505) 10.560 12.916 ( 10.166 0.000 -5.796) 11.702 13.260 ( -1.080 0.000 -6.508) 6.597 13.293 ( -5.519 0.000 -4.477) 7.107 13.522 ( -0.784 0.000 2.634) 2.748 13.542 ( 0.075 0.000 0.773) 0.777 13.787 ( -1.675 0.000 4.725) 5.013 13.870 ( 0.739 0.000 -3.850) 3.920 14.207 ( 0.341 0.000 0.237) 0.415 14.217 ( -2.188 0.000 1.935) 2.921 14.323 ( -2.044 0.000 5.120) 5.513 14.425 ( 1.559 0.000 -5.066) 5.300 14.545 ( -1.661 0.000 6.491) 6.700 14.685 ( -0.421 0.000 -4.501) 4.521 16.710 ( -0.340 0.000 6.066) 6.075 16.807 ( 1.944 0.000 -3.097) 3.657 17.098 ( 1.239 0.000 1.256) 1.764 17.129 ( 2.740 0.000 -2.002) 3.393 17.747 ( 15.850 0.000 -0.520) 15.858 17.778 ( 4.318 0.000 3.205) 5.377 18.082 ( -7.730 0.000 0.404) 7.741 18.103 ( -4.665 0.000 1.650) 4.948 18.474 ( -1.711 0.000 1.565) 2.318 18.502 ( 5.403 0.000 -7.033) 8.869 18.592 ( 1.070 0.000 1.250) 1.645 18.659 ( -0.802 0.000 -1.372) 1.589 18.843 ( 9.485 0.000 1.675) 9.631 18.881 ( -3.412 0.000 5.938) 6.848 19.122 ( -0.330 0.000 -1.238) 1.281 19.202 ( 0.511 0.000 -3.289) 3.328 19.585 ( -8.414 0.000 -1.342) 8.520 19.602 ( -0.589 0.000 -7.807) 7.829 20.119 ( -6.262 0.000 3.678) 7.262 20.157 ( -1.166 0.000 -2.068) 2.374 20.308 ( -2.397 0.000 2.558) 3.506 20.372 ( -1.072 0.000 -2.311) 2.547 20.464 ( -6.239 0.000 6.404) 8.941 20.554 ( -1.827 0.000 -5.571) 5.863 22.282 ( 1.891 0.000 0.510) 1.959 22.310 ( 0.291 0.000 -0.221) 0.365 22.333 ( -0.436 0.000 1.227) 1.303 22.350 ( 1.405 0.000 -1.361) 1.956 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -25.191 0.000 4.833) 25.650 1.603 ( -23.737 0.000 7.681) 24.949 1.870 ( -12.442 0.000 -4.111) 13.104 2.046 ( 1.249 0.000 0.897) 1.538 2.046 ( 6.472 0.000 -4.051) 7.635 2.089 ( 13.968 0.000 -1.163) 14.016 2.160 ( 11.010 0.000 -3.938) 11.693 2.181 ( 13.639 0.000 -1.875) 13.767 2.344 ( -5.077 0.000 -7.397) 8.972 2.360 ( 1.364 0.000 3.376) 3.641 2.466 ( -2.953 0.000 -0.378) 2.977 2.473 ( -2.446 0.000 -1.005) 2.644 2.539 ( -2.635 0.000 -1.807) 3.195 2.547 ( 4.817 0.000 2.478) 5.417 2.624 ( 2.968 0.000 -1.959) 3.556 2.659 ( -2.815 0.000 4.250) 5.097 2.692 ( 5.111 0.000 0.704) 5.159 2.746 ( -3.357 0.000 0.097) 3.358 2.827 ( -0.175 0.000 4.468) 4.471 2.862 ( -7.413 0.000 -8.137) 11.007 2.892 ( -4.161 0.000 5.385) 6.805 2.974 ( 0.400 0.000 -4.580) 4.598 3.058 ( -1.993 0.000 5.425) 5.780 3.131 ( 0.258 0.000 3.052) 3.063 3.198 ( 0.408 0.000 1.272) 1.335 3.211 ( -0.050 0.000 -9.789) 9.789 3.286 ( -2.724 0.000 3.742) 4.629 3.296 ( -8.777 0.000 2.306) 9.075 3.347 ( -2.486 0.000 -2.407) 3.460 3.387 ( 1.189 0.000 3.056) 3.280 3.430 ( 1.080 0.000 10.026) 10.084 3.499 ( -2.679 0.000 -2.991) 4.016 3.541 ( -3.965 0.000 2.758) 4.830 3.648 ( 6.592 0.000 2.234) 6.960 3.675 ( -5.868 0.000 -0.624) 5.901 3.711 ( 0.449 0.000 -1.274) 1.351 3.751 ( -0.043 0.000 -1.786) 1.786 3.783 ( -3.064 0.000 7.127) 7.758 3.828 ( 1.846 0.000 -4.970) 5.302 3.881 ( -0.276 0.000 -0.025) 0.277 3.943 ( 2.209 0.000 -7.832) 8.137 4.135 ( 7.164 0.000 -10.327) 12.569 4.173 ( -4.542 0.000 4.052) 6.087 4.215 ( -5.531 0.000 -7.180) 9.064 4.293 ( -0.626 0.000 -2.207) 2.293 4.313 ( 3.923 0.000 4.636) 6.073 4.316 ( 5.153 0.000 -0.934) 5.237 4.360 ( -7.323 0.000 -4.291) 8.488 4.569 ( -0.701 0.000 0.733) 1.014 4.638 ( -10.517 0.000 2.207) 10.746 4.708 ( 0.180 0.000 4.384) 4.387 4.757 ( -3.468 0.000 -3.196) 4.716 4.849 ( 11.453 0.000 0.173) 11.454 4.863 ( 4.037 0.000 2.846) 4.939 4.910 ( 2.373 0.000 -0.487) 2.422 4.963 ( 12.435 0.000 5.030) 13.414 5.154 ( -1.462 0.000 3.031) 3.365 5.192 ( 2.797 0.000 3.392) 4.397 5.195 ( -4.853 0.000 -4.540) 6.645 5.263 ( 2.635 0.000 -5.579) 6.170 5.396 ( 1.551 0.000 2.885) 3.275 5.428 ( -1.389 0.000 -2.550) 2.904 5.509 ( -2.131 0.000 -6.934) 7.254 5.529 ( 8.511 0.000 2.674) 8.921 5.544 ( -3.269 0.000 -0.044) 3.270 5.607 ( 1.776 0.000 0.165) 1.784 5.726 ( -6.377 0.000 3.564) 7.305 5.860 ( -1.658 0.000 4.924) 5.195 5.885 ( 7.019 0.000 -1.631) 7.206 5.957 ( 0.262 0.000 -2.755) 2.768 5.984 ( 0.625 0.000 -0.004) 0.625 6.042 ( 6.598 0.000 1.773) 6.832 6.321 ( -2.220 0.000 -0.806) 2.362 6.344 ( -0.360 0.000 -0.521) 0.634 6.369 ( -1.324 0.000 1.197) 1.785 6.375 ( 1.520 0.000 3.468) 3.786 6.514 ( 1.027 0.000 2.456) 2.662 6.540 ( 0.485 0.000 -2.678) 2.722 6.657 ( -1.503 0.000 0.027) 1.504 6.705 ( 1.536 0.000 -3.949) 4.237 6.849 ( 0.524 0.000 5.476) 5.501 6.865 ( 1.744 0.000 3.389) 3.811 6.991 ( -5.032 0.000 -6.145) 7.942 7.017 ( 2.361 0.000 4.105) 4.735 7.304 ( -0.488 0.000 -0.123) 0.503 7.330 ( 2.077 0.000 -1.170) 2.384 7.531 ( 0.409 0.000 9.072) 9.081 7.559 ( 1.516 0.000 4.436) 4.688 7.562 ( -1.694 0.000 -4.376) 4.692 7.678 ( -0.571 0.000 -11.220) 11.235 7.789 ( 0.678 0.000 4.035) 4.092 7.812 ( -1.629 0.000 -3.708) 4.050 8.114 ( 1.644 0.000 3.207) 3.604 8.156 ( 0.083 0.000 -2.287) 2.288 8.179 ( -1.791 0.000 2.925) 3.430 8.244 ( 3.764 0.000 -1.986) 4.256 8.276 ( -4.046 0.000 3.431) 5.304 8.329 ( -2.119 0.000 -3.429) 4.031 8.419 ( -0.000 0.000 2.487) 2.487 8.438 ( 0.349 0.000 0.695) 0.778 8.470 ( -2.813 0.000 0.029) 2.813 8.518 ( 0.127 0.000 4.416) 4.417 8.587 ( -4.161 0.000 -5.976) 7.282 8.654 ( 1.713 0.000 -6.035) 6.273 8.816 ( 0.142 0.000 -1.570) 1.577 8.823 ( 1.766 0.000 -2.633) 3.170 8.971 ( -2.104 0.000 -1.921) 2.849 8.975 ( 2.742 0.000 5.770) 6.389 9.144 ( -1.879 0.000 -1.224) 2.242 9.170 ( 3.559 0.000 1.076) 3.718 9.244 ( -2.070 0.000 -3.927) 4.439 9.254 ( 1.702 0.000 0.471) 1.766 9.386 ( -2.490 0.000 1.291) 2.805 9.405 ( -1.211 0.000 4.278) 4.446 9.449 ( 3.746 0.000 6.659) 7.640 9.452 ( -2.931 0.000 -3.332) 4.438 9.633 ( -5.204 0.000 -0.207) 5.209 9.707 ( -3.182 0.000 -4.116) 5.203 9.736 ( 0.905 0.000 1.516) 1.765 9.738 ( 0.036 0.000 2.587) 2.587 9.874 ( -3.382 0.000 3.469) 4.844 9.950 ( -1.189 0.000 -1.696) 2.071 9.989 ( 4.973 0.000 -1.500) 5.194 10.059 ( 7.241 0.000 -4.902) 8.744 10.109 ( 4.913 0.000 7.048) 8.591 10.125 ( -0.315 0.000 -4.094) 4.106 10.241 ( -5.121 0.000 3.983) 6.488 10.368 ( 2.193 0.000 -3.579) 4.198 10.475 ( -3.475 0.000 -1.005) 3.617 10.578 ( 4.522 0.000 -2.700) 5.267 10.766 ( -2.773 0.000 3.301) 4.311 10.849 ( 2.132 0.000 -2.075) 2.975 10.918 ( -3.421 0.000 6.410) 7.265 11.061 ( 2.416 0.000 -7.303) 7.692 11.582 ( -5.244 0.000 8.971) 10.391 11.784 ( 6.126 0.000 -2.825) 6.746 11.821 ( 3.510 0.000 -0.314) 3.524 11.869 ( -0.233 0.000 -10.510) 10.512 12.781 ( -8.761 0.000 8.488) 12.198 13.007 ( 3.720 0.000 -11.843) 12.413 13.211 ( -0.499 0.000 -0.908) 1.036 13.229 ( 1.441 0.000 0.449) 1.509 13.537 ( 0.717 0.000 1.172) 1.374 13.553 ( 0.890 0.000 -0.512) 1.027 13.797 ( -0.256 0.000 4.122) 4.130 13.870 ( 2.263 0.000 -4.312) 4.870 14.202 ( -0.504 0.000 1.447) 1.532 14.225 ( 1.167 0.000 0.551) 1.291 14.318 ( -2.444 0.000 6.202) 6.666 14.419 ( 1.301 0.000 -4.854) 5.025 14.564 ( -1.231 0.000 8.217) 8.308 14.653 ( 0.179 0.000 -4.743) 4.747 16.736 ( -0.349 0.000 4.488) 4.501 16.821 ( 2.459 0.000 -5.301) 5.844 17.095 ( -2.541 0.000 1.418) 2.910 17.134 ( -0.636 0.000 -2.652) 2.727 17.726 ( -11.975 0.000 2.199) 12.176 17.817 ( -8.131 0.000 -0.851) 8.175 18.090 ( 3.664 0.000 -0.215) 3.671 18.111 ( 10.065 0.000 0.828) 10.099 18.417 ( -5.159 0.000 1.767) 5.453 18.540 ( 3.491 0.000 -5.992) 6.935 18.624 ( -1.494 0.000 -2.364) 2.797 18.624 ( 1.225 0.000 2.009) 2.353 18.848 ( -4.592 0.000 1.415) 4.805 19.003 ( 6.692 0.000 -4.628) 8.137 19.118 ( -0.735 0.000 4.453) 4.513 19.135 ( -3.014 0.000 -2.670) 4.027 19.478 ( -4.186 0.000 3.254) 5.302 19.615 ( 5.960 0.000 -3.813) 7.075 20.075 ( -0.401 0.000 6.786) 6.798 20.169 ( 3.622 0.000 -1.547) 3.939 20.309 ( 0.050 0.000 4.530) 4.530 20.348 ( -0.102 0.000 -2.048) 2.051 20.464 ( 1.921 0.000 3.870) 4.321 20.573 ( 7.413 0.000 -5.290) 9.107 22.292 ( -1.889 0.000 -0.574) 1.974 22.303 ( 0.045 0.000 0.531) 0.533 22.325 ( -1.374 0.000 1.220) 1.837 22.357 ( 0.439 0.000 -1.298) 1.370 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -26.978 0.000 6.644) 27.784 1.241 ( -23.047 0.000 15.289) 27.657 1.623 ( -7.676 0.000 -14.040) 16.001 2.012 ( -9.596 0.000 -10.634) 14.324 2.033 ( -7.750 0.000 5.569) 9.544 2.072 ( 3.137 0.000 -4.771) 5.710 2.212 ( -25.779 0.000 6.266) 26.529 2.245 ( -10.003 0.000 0.760) 10.032 2.261 ( 0.851 0.000 -6.314) 6.371 2.371 ( 3.887 0.000 -1.959) 4.353 2.423 ( -0.389 0.000 -4.709) 4.725 2.462 ( 11.433 0.000 -2.591) 11.723 2.481 ( -6.594 0.000 0.857) 6.649 2.547 ( 2.634 0.000 -3.962) 4.757 2.599 ( -5.132 0.000 -1.141) 5.258 2.630 ( -3.743 0.000 4.425) 5.796 2.735 ( 0.630 0.000 -0.276) 0.688 2.776 ( 8.244 0.000 -4.340) 9.317 2.786 ( -0.284 0.000 5.932) 5.939 2.824 ( 4.771 0.000 -1.251) 4.932 2.883 ( 1.052 0.000 7.172) 7.248 3.011 ( -1.874 0.000 -2.674) 3.265 3.042 ( -2.532 0.000 2.003) 3.229 3.085 ( 4.775 0.000 -1.551) 5.021 3.204 ( -9.934 0.000 1.297) 10.018 3.219 ( -7.065 0.000 2.446) 7.476 3.238 ( 3.667 0.000 2.427) 4.398 3.296 ( 7.151 0.000 0.360) 7.161 3.308 ( -1.674 0.000 -0.301) 1.701 3.372 ( -3.094 0.000 0.269) 3.106 3.443 ( -1.823 0.000 3.393) 3.852 3.455 ( -2.917 0.000 2.310) 3.721 3.528 ( 0.828 0.000 -2.097) 2.254 3.662 ( 2.917 0.000 -8.873) 9.340 3.677 ( -0.806 0.000 7.141) 7.187 3.716 ( -15.837 0.000 -2.667) 16.060 3.744 ( -2.684 0.000 -4.377) 5.134 3.755 ( -0.219 0.000 0.373) 0.433 3.818 ( 3.353 0.000 1.107) 3.531 3.831 ( 0.294 0.000 -5.141) 5.149 3.889 ( 3.820 0.000 0.398) 3.840 4.036 ( 1.291 0.000 1.327) 1.852 4.096 ( -1.211 0.000 -5.736) 5.862 4.194 ( -6.157 0.000 -6.422) 8.897 4.196 ( -6.388 0.000 -3.017) 7.065 4.288 ( 3.922 0.000 3.465) 5.234 4.393 ( -5.379 0.000 6.244) 8.242 4.405 ( 4.229 0.000 -1.011) 4.348 4.461 ( -1.775 0.000 -1.264) 2.179 4.692 ( -2.881 0.000 0.992) 3.047 4.697 ( -0.436 0.000 -1.775) 1.828 4.751 ( 13.935 0.000 4.227) 14.562 4.918 ( -1.052 0.000 8.449) 8.514 4.980 ( -8.547 0.000 3.904) 9.396 5.015 ( 4.030 0.000 -6.376) 7.543 5.041 ( 5.758 0.000 -6.732) 8.859 5.096 ( 1.434 0.000 -0.774) 1.629 5.180 ( 4.203 0.000 4.999) 6.531 5.245 ( 0.928 0.000 -8.990) 9.038 5.348 ( 9.939 0.000 -0.875) 9.977 5.423 ( 3.447 0.000 -4.841) 5.943 5.429 ( 2.714 0.000 -0.835) 2.840 5.459 ( -4.097 0.000 -1.642) 4.414 5.582 ( -3.131 0.000 1.808) 3.615 5.633 ( 0.429 0.000 0.484) 0.647 5.644 ( 11.295 0.000 7.881) 13.773 5.744 ( 5.266 0.000 5.764) 7.807 5.851 ( -2.279 0.000 1.478) 2.716 5.915 ( 2.841 0.000 -5.162) 5.892 5.988 ( 0.696 0.000 -0.990) 1.210 6.097 ( 8.968 0.000 6.311) 10.966 6.168 ( 4.290 0.000 0.511) 4.320 6.287 ( -0.576 0.000 -0.320) 0.659 6.306 ( -1.493 0.000 -0.829) 1.708 6.401 ( 2.294 0.000 3.005) 3.781 6.439 ( 1.790 0.000 2.606) 3.161 6.518 ( 0.482 0.000 -4.358) 4.385 6.578 ( 3.607 0.000 3.776) 5.222 6.623 ( -2.093 0.000 0.616) 2.182 6.726 ( 3.284 0.000 -1.310) 3.536 6.823 ( -5.715 0.000 -9.793) 11.339 6.876 ( -0.774 0.000 4.923) 4.984 6.977 ( 5.212 0.000 5.984) 7.936 7.097 ( 1.306 0.000 7.975) 8.081 7.284 ( -1.379 0.000 -1.010) 1.710 7.365 ( 3.024 0.000 -2.636) 4.011 7.508 ( -2.463 0.000 -3.669) 4.419 7.546 ( -2.715 0.000 5.571) 6.197 7.591 ( -2.721 0.000 3.239) 4.230 7.602 ( 1.714 0.000 -10.030) 10.175 7.768 ( 0.079 0.000 -5.061) 5.062 7.813 ( -2.165 0.000 3.696) 4.284 8.106 ( -4.816 0.000 3.126) 5.741 8.124 ( -1.663 0.000 -3.718) 4.073 8.169 ( -1.348 0.000 -0.322) 1.386 8.194 ( -4.699 0.000 -5.741) 7.419 8.261 ( -0.043 0.000 4.071) 4.071 8.363 ( 4.720 0.000 0.628) 4.761 8.390 ( -4.543 0.000 -0.444) 4.565 8.421 ( -0.403 0.000 -3.957) 3.977 8.452 ( -3.130 0.000 -0.317) 3.146 8.472 ( 3.788 0.000 1.391) 4.035 8.553 ( -0.094 0.000 2.246) 2.248 8.622 ( -1.060 0.000 -2.507) 2.722 8.792 ( -2.067 0.000 -1.846) 2.771 8.819 ( -0.470 0.000 -3.625) 3.655 8.988 ( 3.650 0.000 1.083) 3.808 9.064 ( 2.658 0.000 4.971) 5.637 9.133 ( -0.925 0.000 3.624) 3.740 9.184 ( -1.014 0.000 -4.243) 4.363 9.264 ( 4.637 0.000 1.065) 4.758 9.268 ( -0.958 0.000 2.141) 2.345 9.319 ( -3.434 0.000 -4.119) 5.363 9.404 ( -4.934 0.000 5.659) 7.508 9.430 ( 0.432 0.000 2.367) 2.406 9.457 ( -5.360 0.000 1.901) 5.687 9.575 ( 0.733 0.000 -0.144) 0.747 9.590 ( -5.152 0.000 -4.685) 6.963 9.704 ( -1.136 0.000 -2.407) 2.662 9.722 ( -2.773 0.000 0.087) 2.775 9.873 ( -1.986 0.000 4.083) 4.540 9.953 ( 3.207 0.000 -1.359) 3.483 10.013 ( 0.632 0.000 -8.477) 8.501 10.127 ( 3.058 0.000 -5.202) 6.034 10.171 ( 8.066 0.000 -5.296) 9.649 10.183 ( -3.467 0.000 4.845) 5.958 10.248 ( 4.586 0.000 6.529) 7.979 10.367 ( -0.480 0.000 -2.726) 2.768 10.427 ( -2.112 0.000 2.056) 2.948 10.624 ( 1.495 0.000 -2.985) 3.338 10.739 ( -2.496 0.000 3.823) 4.566 10.866 ( -0.110 0.000 0.760) 0.767 10.894 ( -2.887 0.000 3.969) 4.908 11.042 ( 1.028 0.000 -8.134) 8.199 11.547 ( -4.686 0.000 8.583) 9.779 11.797 ( 2.323 0.000 -11.178) 11.417 11.831 ( 3.554 0.000 -9.669) 10.301 11.927 ( 3.766 0.000 4.720) 6.038 12.623 ( -12.541 0.000 7.158) 14.441 12.867 ( -7.900 0.000 -16.893) 18.649 13.253 ( 3.803 0.000 2.066) 4.328 13.319 ( 4.487 0.000 5.887) 7.401 13.562 ( 1.814 0.000 0.108) 1.818 13.566 ( 0.937 0.000 -0.364) 1.006 13.823 ( 0.063 0.000 3.260) 3.261 13.887 ( 2.578 0.000 -5.299) 5.893 14.216 ( 1.266 0.000 0.039) 1.266 14.253 ( 1.265 0.000 0.985) 1.603 14.318 ( -2.103 0.000 6.743) 7.063 14.411 ( 1.173 0.000 -4.484) 4.635 14.620 ( 1.583 0.000 9.198) 9.334 14.637 ( 1.397 0.000 -4.061) 4.294 16.754 ( -0.298 0.000 2.390) 2.409 16.811 ( 0.752 0.000 -9.021) 9.053 17.026 ( -6.029 0.000 1.959) 6.339 17.072 ( -4.014 0.000 -2.818) 4.904 17.473 ( -14.075 0.000 -1.363) 14.141 17.635 ( -10.614 0.000 0.182) 10.615 18.170 ( 3.214 0.000 1.649) 3.613 18.228 ( 2.158 0.000 -4.143) 4.672 18.349 ( -2.923 0.000 3.872) 4.851 18.504 ( -4.594 0.000 -6.258) 7.763 18.604 ( 1.439 0.000 -1.547) 2.113 18.660 ( 0.786 0.000 2.473) 2.595 18.728 ( -5.619 0.000 -4.254) 7.048 19.030 ( 2.631 0.000 -6.883) 7.369 19.102 ( -5.146 0.000 2.881) 5.898 19.124 ( 1.628 0.000 1.000) 1.911 19.528 ( 5.474 0.000 13.716) 14.768 19.762 ( 11.105 0.000 0.038) 11.105 20.189 ( 6.421 0.000 3.913) 7.520 20.245 ( 5.015 0.000 -0.860) 5.089 20.342 ( 0.298 0.000 -0.722) 0.781 20.372 ( 4.133 0.000 5.012) 6.496 20.561 ( 5.351 0.000 5.807) 7.897 20.719 ( 11.230 0.000 -4.735) 12.187 22.242 ( -2.913 0.000 -0.486) 2.953 22.290 ( -1.951 0.000 -0.218) 1.963 22.297 ( -2.100 0.000 1.324) 2.482 22.350 ( -0.341 0.000 -1.532) 1.569 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -13.263 0.000 19.032) 23.198 1.019 ( -13.816 0.000 23.667) 27.404 1.430 ( -1.233 0.000 -20.612) 20.648 1.612 ( -33.550 0.000 18.868) 38.492 1.741 ( -7.923 0.000 -16.669) 18.456 1.984 ( -10.849 0.000 -7.968) 13.460 2.120 ( -8.992 0.000 -2.439) 9.317 2.128 ( -0.801 0.000 -5.335) 5.395 2.151 ( 3.793 0.000 9.632) 10.352 2.370 ( -0.745 0.000 3.050) 3.140 2.424 ( 1.191 0.000 -0.446) 1.272 2.426 ( 0.793 0.000 -5.181) 5.241 2.523 ( 1.162 0.000 -2.420) 2.684 2.579 ( 3.731 0.000 -2.481) 4.480 2.600 ( 2.260 0.000 -2.668) 3.497 2.642 ( 0.594 0.000 5.992) 6.022 2.726 ( -1.780 0.000 -1.412) 2.272 2.752 ( 1.314 0.000 0.026) 1.314 2.851 ( -3.562 0.000 0.272) 3.573 2.855 ( -6.907 0.000 1.555) 7.080 2.958 ( -0.919 0.000 4.677) 4.767 3.017 ( 3.830 0.000 -3.369) 5.100 3.033 ( 3.365 0.000 1.672) 3.757 3.046 ( -5.199 0.000 -0.538) 5.227 3.061 ( -1.518 0.000 -5.749) 5.946 3.193 ( 0.001 0.000 1.232) 1.232 3.229 ( -2.466 0.000 -2.512) 3.520 3.293 ( -9.337 0.000 -1.664) 9.484 3.327 ( 1.918 0.000 -1.131) 2.227 3.339 ( 4.854 0.000 1.791) 5.174 3.426 ( -1.906 0.000 3.316) 3.825 3.471 ( -3.626 0.000 0.548) 3.667 3.492 ( 3.786 0.000 2.781) 4.697 3.542 ( -0.909 0.000 1.442) 1.705 3.614 ( -6.049 0.000 -7.759) 9.838 3.617 ( -7.939 0.000 -5.979) 9.938 3.738 ( 5.911 0.000 -5.067) 7.785 3.752 ( 4.837 0.000 1.123) 4.966 3.812 ( 2.206 0.000 -3.382) 4.038 3.890 ( -0.511 0.000 4.863) 4.890 3.896 ( -4.524 0.000 -4.526) 6.399 4.056 ( -2.952 0.000 -7.992) 8.520 4.095 ( -1.168 0.000 4.972) 5.107 4.110 ( 5.469 0.000 -0.119) 5.470 4.202 ( 7.764 0.000 1.728) 7.954 4.274 ( -3.037 0.000 -0.450) 3.070 4.389 ( 2.114 0.000 7.203) 7.507 4.416 ( -1.627 0.000 -5.378) 5.619 4.495 ( -0.348 0.000 7.247) 7.255 4.642 ( -2.586 0.000 0.276) 2.601 4.675 ( -1.168 0.000 -1.228) 1.694 4.842 ( -6.620 0.000 2.120) 6.951 4.917 ( -1.435 0.000 -2.322) 2.729 4.937 ( -1.783 0.000 -4.093) 4.464 5.032 ( 3.392 0.000 -0.441) 3.420 5.107 ( 12.441 0.000 2.840) 12.761 5.197 ( 3.843 0.000 5.880) 7.024 5.235 ( 5.013 0.000 -4.806) 6.944 5.295 ( -1.963 0.000 3.265) 3.810 5.342 ( 0.697 0.000 1.705) 1.842 5.421 ( -4.379 0.000 -4.026) 5.948 5.511 ( 6.595 0.000 -3.824) 7.624 5.519 ( 6.721 0.000 0.256) 6.726 5.619 ( 7.753 0.000 -0.013) 7.753 5.687 ( 5.157 0.000 1.843) 5.476 5.775 ( -4.405 0.000 -4.300) 6.156 5.852 ( 7.323 0.000 0.794) 7.366 5.855 ( 1.690 0.000 5.549) 5.801 5.919 ( -1.964 0.000 -3.120) 3.687 5.978 ( -2.384 0.000 3.027) 3.853 6.187 ( -0.268 0.000 -0.023) 0.269 6.228 ( -0.844 0.000 0.946) 1.268 6.328 ( 2.335 0.000 2.372) 3.329 6.395 ( 11.118 0.000 3.817) 11.755 6.397 ( 0.918 0.000 -2.736) 2.886 6.454 ( -1.069 0.000 -0.050) 1.071 6.516 ( 0.827 0.000 -2.347) 2.489 6.638 ( 0.863 0.000 1.634) 1.848 6.672 ( 5.218 0.000 2.788) 5.916 6.692 ( -0.035 0.000 -5.413) 5.413 6.781 ( -1.966 0.000 4.350) 4.773 6.894 ( 0.168 0.000 4.840) 4.843 7.114 ( 4.653 0.000 4.856) 6.725 7.170 ( 2.133 0.000 7.589) 7.883 7.240 ( -3.301 0.000 1.385) 3.580 7.378 ( -0.636 0.000 -4.055) 4.105 7.434 ( -1.902 0.000 -1.700) 2.551 7.495 ( -6.543 0.000 -1.061) 6.629 7.541 ( -0.306 0.000 0.244) 0.392 7.636 ( 7.281 0.000 -7.426) 10.400 7.701 ( -9.592 0.000 -1.716) 9.744 7.738 ( -0.945 0.000 -3.658) 3.778 8.015 ( -6.522 0.000 2.324) 6.923 8.023 ( -5.035 0.000 -6.303) 8.068 8.166 ( 0.669 0.000 0.605) 0.902 8.166 ( 1.224 0.000 1.080) 1.632 8.239 ( -2.825 0.000 1.881) 3.394 8.275 ( -5.628 0.000 0.481) 5.649 8.364 ( -0.295 0.000 0.327) 0.440 8.415 ( 2.309 0.000 -3.474) 4.171 8.539 ( 5.110 0.000 3.132) 5.993 8.550 ( 4.065 0.000 -8.421) 9.351 8.600 ( 4.613 0.000 1.800) 4.952 8.640 ( 1.865 0.000 5.025) 5.360 8.752 ( 0.942 0.000 1.224) 1.545 8.769 ( -0.452 0.000 -6.352) 6.368 9.056 ( 0.768 0.000 0.635) 0.997 9.087 ( -7.960 0.000 4.622) 9.205 9.133 ( 0.345 0.000 2.002) 2.032 9.136 ( -0.570 0.000 -5.949) 5.977 9.229 ( -5.807 0.000 0.896) 5.876 9.264 ( 1.718 0.000 -2.805) 3.289 9.297 ( -3.413 0.000 7.847) 8.557 9.321 ( 0.389 0.000 -0.851) 0.936 9.437 ( -1.336 0.000 1.182) 1.784 9.471 ( -0.158 0.000 3.112) 3.116 9.489 ( -1.238 0.000 -1.246) 1.756 9.567 ( -0.786 0.000 -1.097) 1.349 9.676 ( -2.053 0.000 0.561) 2.129 9.704 ( 2.109 0.000 -3.539) 4.120 9.825 ( -4.769 0.000 0.881) 4.849 9.852 ( -10.439 0.000 -9.920) 14.401 10.029 ( 4.305 0.000 1.474) 4.551 10.146 ( 1.674 0.000 -4.179) 4.502 10.178 ( -1.013 0.000 6.518) 6.596 10.286 ( 8.063 0.000 -4.059) 9.027 10.330 ( -1.874 0.000 0.390) 1.914 10.353 ( 3.446 0.000 3.095) 4.632 10.417 ( -0.467 0.000 1.222) 1.308 10.558 ( -6.804 0.000 -1.656) 7.003 10.745 ( 0.740 0.000 2.416) 2.526 10.840 ( -4.779 0.000 5.983) 7.657 10.872 ( -0.948 0.000 -0.527) 1.085 11.004 ( 1.273 0.000 -9.280) 9.367 11.525 ( -3.574 0.000 8.215) 8.958 11.749 ( 0.756 0.000 -11.143) 11.169 11.869 ( 5.690 0.000 -6.168) 8.391 11.975 ( -1.007 0.000 0.725) 1.240 12.467 ( -8.815 0.000 6.685) 11.063 12.584 ( -10.415 0.000 -8.991) 13.759 13.341 ( 3.818 0.000 1.961) 4.292 13.416 ( 2.233 0.000 2.462) 3.324 13.596 ( 1.206 0.000 4.994) 5.137 13.617 ( 4.019 0.000 1.396) 4.254 13.821 ( -2.083 0.000 0.900) 2.269 13.881 ( 0.884 0.000 -7.047) 7.103 14.242 ( 1.105 0.000 0.992) 1.485 14.276 ( 0.281 0.000 1.206) 1.238 14.325 ( -1.509 0.000 5.535) 5.737 14.409 ( 1.725 0.000 -4.264) 4.599 14.658 ( 3.257 0.000 -2.523) 4.120 14.718 ( 2.955 0.000 3.195) 4.352 16.717 ( -4.276 0.000 -7.626) 8.743 16.744 ( -2.177 0.000 0.011) 2.177 16.926 ( -5.754 0.000 3.092) 6.533 16.980 ( -3.492 0.000 -2.305) 4.184 17.267 ( -7.266 0.000 1.812) 7.488 17.454 ( -8.284 0.000 -2.274) 8.590 18.194 ( -1.767 0.000 -0.872) 1.970 18.203 ( -0.371 0.000 0.800) 0.882 18.330 ( -0.869 0.000 -2.203) 2.368 18.341 ( -8.476 0.000 -1.255) 8.569 18.627 ( -2.470 0.000 -0.044) 2.471 18.627 ( 2.021 0.000 -2.154) 2.954 18.715 ( 3.013 0.000 1.488) 3.361 18.939 ( -8.075 0.000 0.720) 8.107 19.119 ( 4.768 0.000 -1.641) 5.043 19.165 ( 1.621 0.000 0.548) 1.711 19.816 ( 14.762 0.000 10.928) 18.367 19.971 ( 10.139 0.000 1.378) 10.232 20.263 ( 1.392 0.000 -2.383) 2.760 20.295 ( 0.165 0.000 -3.818) 3.821 20.366 ( 2.475 0.000 3.992) 4.697 20.491 ( 4.528 0.000 -0.332) 4.540 20.756 ( 10.613 0.000 9.458) 14.216 20.881 ( 8.451 0.000 -2.709) 8.875 22.196 ( -1.687 0.000 0.017) 1.687 22.240 ( -2.705 0.000 -0.410) 2.736 22.270 ( -1.513 0.000 0.294) 1.541 22.313 ( -2.794 0.000 -1.784) 3.315 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 3.957 0.819 20.809) 21.198 1.047 ( -5.390 11.515 16.519) 20.845 1.352 ( -7.481 -0.304 -18.458) 19.919 1.370 ( 8.249 -7.011 -20.383) 23.080 1.837 ( 0.814 17.078 5.389) 17.926 1.872 ( -3.714 0.743 -0.713) 3.854 2.001 ( 4.895 3.009 -0.026) 5.746 2.025 ( -2.128 -0.704 -2.644) 3.466 2.304 ( 5.970 3.503 5.142) 8.623 2.323 ( 0.881 -2.865 4.487) 5.396 2.370 ( -1.721 -1.246 -1.983) 2.906 2.440 ( -4.255 0.947 -3.518) 5.602 2.530 ( -0.015 -0.464 6.232) 6.249 2.644 ( 4.201 0.362 -3.602) 5.546 2.662 ( -1.326 2.611 1.470) 3.276 2.675 ( -0.988 1.128 0.397) 1.551 2.759 ( -2.207 4.161 0.104) 4.711 2.769 ( 2.291 4.020 -2.572) 5.294 2.829 ( -1.729 5.060 5.676) 7.798 2.871 ( 0.622 3.781 2.477) 4.563 2.936 ( -3.420 1.360 -0.072) 3.681 3.007 ( 3.366 -1.212 1.738) 3.977 3.050 ( -3.166 1.717 -0.964) 3.728 3.060 ( 1.666 2.902 -0.791) 3.439 3.130 ( 0.372 -1.696 1.322) 2.182 3.170 ( -4.720 1.487 -2.676) 5.626 3.232 ( 4.229 -1.424 -3.126) 5.448 3.259 ( 3.207 4.319 -3.697) 6.527 3.310 ( -1.302 -2.828 -3.562) 4.730 3.332 ( 2.367 -1.419 -4.969) 5.684 3.387 ( -5.525 2.033 3.009) 6.612 3.456 ( -1.243 -1.880 -0.103) 2.256 3.483 ( 1.022 2.315 -1.780) 3.094 3.527 ( -0.446 1.818 -3.896) 4.322 3.607 ( 2.954 1.759 1.060) 3.598 3.621 ( -2.206 3.863 -1.110) 4.585 3.739 ( -0.192 -4.055 5.905) 7.165 3.790 ( -1.225 3.235 2.986) 4.569 3.823 ( 6.099 -0.720 -2.202) 6.524 3.842 ( -4.073 -1.163 -2.063) 4.712 3.949 ( -1.105 1.355 3.508) 3.919 4.014 ( 2.510 3.786 -3.222) 5.569 4.094 ( 1.058 -3.977 3.695) 5.531 4.149 ( -0.782 -4.690 3.671) 6.007 4.229 ( -1.009 -0.698 0.123) 1.233 4.264 ( 0.490 -2.036 -0.484) 2.149 4.334 ( 0.758 -2.247 -2.437) 3.400 4.414 ( -3.018 -0.637 -0.327) 3.102 4.473 ( 2.008 -7.992 4.707) 9.490 4.551 ( 0.852 -8.984 -0.894) 9.069 4.618 ( -0.575 -4.717 0.424) 4.771 4.647 ( 3.046 -7.927 -0.872) 8.536 4.813 ( -0.413 2.049 -3.530) 4.103 4.868 ( -1.988 2.078 -7.664) 8.186 5.044 ( 1.439 -5.102 3.348) 6.270 5.074 ( -4.848 -2.119 2.079) 5.684 5.112 ( 2.735 -8.342 -2.433) 9.110 5.153 ( 1.657 -4.714 -6.714) 8.369 5.270 ( 0.049 -4.948 2.218) 5.423 5.322 ( -2.867 -6.096 -2.519) 7.192 5.430 ( 4.687 -1.773 1.478) 5.225 5.487 ( -2.612 -3.439 -2.937) 5.222 5.681 ( -4.081 0.179 4.055) 5.756 5.724 ( 3.920 7.639 2.294) 8.887 5.805 ( 0.874 1.314 -2.610) 3.050 5.832 ( 0.354 3.950 -0.652) 4.019 5.891 ( 1.210 3.167 3.798) 5.092 5.939 ( -1.475 1.693 -1.294) 2.592 5.993 ( -0.827 8.514 -0.767) 8.588 6.022 ( -0.235 8.005 -0.999) 8.071 6.185 ( -0.858 -0.505 0.299) 1.039 6.217 ( 0.839 -0.569 -2.300) 2.513 6.339 ( 0.750 -3.477 1.257) 3.773 6.370 ( 2.803 -1.001 2.696) 4.015 6.377 ( -2.921 -1.696 -0.706) 3.451 6.436 ( -2.886 -2.631 -1.562) 4.206 6.537 ( -4.846 2.526 2.387) 5.963 6.601 ( 4.517 2.007 -1.391) 5.135 6.816 ( -6.303 -1.341 4.715) 7.985 6.838 ( 6.273 -1.864 2.407) 6.973 6.953 ( -0.816 9.860 6.201) 11.676 7.007 ( -0.319 8.597 2.132) 8.863 7.190 ( 7.428 2.062 2.449) 8.088 7.219 ( -2.101 1.337 0.934) 2.660 7.312 ( 4.828 1.372 0.515) 5.045 7.337 ( -3.708 0.236 -2.810) 4.659 7.358 ( -3.123 0.072 2.268) 3.860 7.410 ( -0.829 -1.522 -2.974) 3.442 7.522 ( 0.570 0.288 -0.351) 0.729 7.577 ( -3.547 0.464 -4.158) 5.485 7.694 ( 0.402 1.659 -1.508) 2.277 7.728 ( 1.471 0.111 -5.658) 5.847 7.945 ( 1.729 1.309 2.034) 2.973 7.985 ( -2.738 3.553 -2.298) 5.040 8.115 ( 0.256 -4.124 1.645) 4.447 8.118 ( -0.659 -2.136 0.652) 2.328 8.259 ( -1.798 1.675 0.371) 2.485 8.279 ( 1.872 2.242 -1.793) 3.427 8.399 ( 2.414 1.858 3.260) 4.462 8.445 ( -1.479 -0.890 -1.470) 2.267 8.565 ( 1.650 -0.766 2.554) 3.136 8.611 ( -2.399 3.117 0.136) 3.936 8.662 ( -5.655 2.348 -1.778) 6.376 8.670 ( 5.172 2.288 -2.643) 6.242 8.885 ( 8.545 2.708 0.871) 9.006 8.914 ( -8.796 2.574 1.014) 9.221 8.967 ( 0.478 1.508 0.616) 1.697 9.020 ( -1.919 2.216 2.442) 3.816 9.052 ( -0.798 -0.284 1.843) 2.029 9.152 ( -0.641 -0.151 -2.481) 2.567 9.186 ( 2.579 1.193 0.142) 2.845 9.221 ( -2.421 -0.266 -1.168) 2.701 9.283 ( -0.689 -2.674 4.790) 5.529 9.321 ( 1.030 0.375 -1.505) 1.862 9.412 ( 1.309 -3.126 1.685) 3.785 9.435 ( 0.992 -2.475 3.988) 4.797 9.476 ( 0.987 -3.083 -3.503) 4.769 9.534 ( 0.113 -2.745 -4.626) 5.380 9.591 ( -1.034 -2.920 1.185) 3.316 9.643 ( 0.726 -4.611 -3.041) 5.571 9.734 ( -0.798 -1.696 1.206) 2.229 9.775 ( 1.490 -1.621 -3.221) 3.902 10.001 ( -1.640 -2.102 5.036) 5.698 10.107 ( 0.235 0.698 -4.828) 4.884 10.158 ( 2.120 -4.328 5.761) 7.511 10.268 ( -0.558 -3.025 -4.782) 5.686 10.390 ( -1.791 0.123 1.203) 2.161 10.418 ( 1.598 -0.564 -1.992) 2.615 10.497 ( 2.384 6.090 0.977) 6.613 10.507 ( -2.468 5.592 0.095) 6.113 10.705 ( -0.090 -2.759 4.261) 5.077 10.791 ( -0.601 -3.334 -4.114) 5.329 10.962 ( -0.625 5.301 3.287) 6.268 11.038 ( 1.436 6.549 -4.852) 8.276 11.336 ( -1.126 -11.679 9.815) 15.296 11.526 ( 1.194 -12.913 -10.335) 16.582 11.941 ( -0.554 2.753 -0.374) 2.833 11.962 ( 0.752 3.858 -2.974) 4.929 12.505 ( -1.353 6.130 6.385) 8.955 12.627 ( 2.013 5.127 -7.179) 9.048 13.351 ( 4.792 -1.718 1.536) 5.317 13.384 ( -4.704 -2.509 -1.637) 5.577 13.491 ( 1.768 -6.184 5.708) 8.600 13.601 ( -1.416 -8.219 -5.894) 10.213 13.894 ( 0.729 7.341 4.861) 8.834 13.964 ( 0.693 4.685 -2.089) 5.176 14.266 ( 0.238 0.558 2.041) 2.130 14.302 ( -1.409 0.362 -1.458) 2.060 14.344 ( -3.007 2.701 7.382) 8.416 14.454 ( 2.581 2.672 -4.526) 5.856 14.607 ( -4.309 -5.251 5.454) 8.711 14.676 ( 2.699 -3.286 -2.225) 4.799 16.728 ( 2.295 5.012 0.453) 5.531 16.746 ( -1.419 4.905 -1.400) 5.294 16.971 ( -2.086 -0.806 0.136) 2.241 16.987 ( 2.193 -0.993 -1.467) 2.819 17.401 ( 1.508 16.125 5.937) 17.249 17.547 ( -2.469 19.294 -10.648) 22.175 18.174 ( -0.581 -1.006 0.455) 1.248 18.180 ( 0.989 -0.806 -0.183) 1.289 18.242 ( -1.374 -0.043 3.112) 3.402 18.320 ( -1.231 0.780 -5.604) 5.790 18.526 ( 1.602 -9.199 6.428) 11.336 18.634 ( -0.048 -2.335 -4.922) 5.448 18.770 ( -1.170 -0.264 1.031) 1.582 18.790 ( 0.833 -1.368 -0.736) 1.763 19.113 ( 1.231 -3.533 0.297) 3.753 19.135 ( -0.571 -3.671 -2.013) 4.226 19.961 ( 0.079 -3.102 3.692) 4.823 20.020 ( 1.343 -5.096 -2.334) 5.764 20.250 ( 5.090 -0.316 1.953) 5.461 20.275 ( -3.613 -1.793 -0.456) 4.059 20.498 ( -1.280 4.122 0.787) 4.387 20.524 ( 0.364 3.978 -1.764) 4.367 20.826 ( -1.405 -3.791 7.392) 8.425 20.944 ( 2.037 -3.932 -5.794) 7.293 22.197 ( 0.735 0.597 0.462) 1.053 22.207 ( -0.893 0.450 -0.568) 1.150 22.246 ( -0.416 -0.684 0.439) 0.913 22.252 ( 0.177 -0.641 -0.168) 0.686 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 7.330 4.585 13.351) 15.906 1.205 ( 7.450 1.228 -14.430) 16.286 1.384 ( 18.221 3.881 18.234) 26.069 1.525 ( 17.394 2.986 -17.218) 24.657 1.864 ( 3.511 -1.326 1.595) 4.078 1.942 ( 7.196 5.772 0.743) 9.255 2.041 ( 5.313 -4.995 -1.785) 7.507 2.136 ( 8.791 6.361 -0.512) 10.863 2.238 ( -5.806 -3.963 -3.236) 7.739 2.329 ( -3.703 -5.399 -4.707) 8.063 2.401 ( 3.824 -0.198 2.538) 4.594 2.447 ( 0.313 7.546 1.432) 7.687 2.534 ( -1.629 0.305 1.144) 2.014 2.563 ( -4.389 3.834 -1.865) 6.118 2.606 ( -5.706 3.176 1.995) 6.828 2.686 ( -5.163 -0.774 1.951) 5.574 2.718 ( 3.188 1.322 -0.165) 3.455 2.775 ( -0.266 -0.413 -0.064) 0.495 2.854 ( 0.061 1.577 0.962) 1.848 2.877 ( -5.380 -0.975 2.052) 5.840 2.941 ( -0.038 3.375 3.979) 5.218 2.994 ( -1.306 0.200 2.215) 2.579 3.057 ( -1.575 -0.550 -1.390) 2.171 3.120 ( 8.832 1.243 -1.498) 9.044 3.137 ( 5.810 3.651 1.290) 6.982 3.206 ( 4.430 4.516 2.969) 6.988 3.236 ( -1.678 0.058 -4.832) 5.115 3.280 ( 2.654 2.691 -3.876) 5.414 3.323 ( 7.187 1.735 -2.095) 7.684 3.394 ( 5.610 -0.301 -1.982) 5.957 3.424 ( 3.696 -0.781 5.257) 6.473 3.473 ( 1.328 6.937 -0.036) 7.063 3.490 ( 1.832 -0.459 3.970) 4.396 3.554 ( 3.157 0.253 -1.074) 3.345 3.605 ( 0.628 0.164 -3.387) 3.449 3.664 ( -0.778 -2.384 2.134) 3.293 3.674 ( 0.624 4.123 -3.454) 5.415 3.727 ( -2.286 4.754 1.269) 5.425 3.858 ( 0.826 1.335 -0.800) 1.762 3.921 ( 1.564 2.694 -0.470) 3.150 3.950 ( 1.314 1.219 -1.031) 2.068 4.019 ( -4.186 6.019 4.170) 8.435 4.088 ( 1.659 -0.084 -1.010) 1.944 4.124 ( 2.100 -4.531 -5.241) 7.239 4.246 ( -1.283 -5.353 0.702) 5.549 4.274 ( -0.349 2.237 2.389) 3.291 4.327 ( -0.949 -5.767 -1.412) 6.013 4.382 ( 0.990 -2.238 2.120) 3.238 4.513 ( 0.328 -14.556 3.628) 15.005 4.555 ( 1.699 -6.611 -3.581) 7.708 4.604 ( -0.725 -5.965 -2.028) 6.342 4.701 ( 3.212 -7.826 -3.680) 9.226 4.826 ( 1.383 1.439 -1.352) 2.411 4.895 ( 7.090 1.842 3.609) 8.166 4.989 ( -3.873 -3.234 1.224) 5.192 5.012 ( -5.322 -1.915 -1.184) 5.779 5.096 ( -3.130 -10.196 -1.981) 10.848 5.175 ( 3.081 -3.874 -2.333) 5.472 5.274 ( 0.403 -2.677 -0.180) 2.713 5.290 ( -3.973 -3.353 3.259) 6.136 5.361 ( -3.874 1.237 -1.928) 4.501 5.470 ( -1.250 -4.474 0.213) 4.650 5.584 ( -8.777 3.344 2.685) 9.769 5.730 ( -2.523 1.734 -2.900) 4.217 5.803 ( -2.796 2.993 -3.647) 5.485 5.816 ( -0.157 6.691 2.009) 6.988 5.854 ( -5.326 -0.509 -0.420) 5.367 5.891 ( -4.444 4.263 2.044) 6.489 5.988 ( -1.201 4.821 1.289) 5.133 6.046 ( 1.497 7.629 1.184) 7.865 6.178 ( 0.480 -0.682 1.867) 2.044 6.216 ( -0.050 -0.681 -1.284) 1.454 6.292 ( -4.974 -2.673 0.434) 5.663 6.308 ( -0.681 -3.489 -0.801) 3.644 6.404 ( -4.349 -2.417 1.751) 5.275 6.453 ( 1.497 2.004 3.313) 4.151 6.488 ( 1.758 1.544 -1.106) 2.588 6.605 ( -6.250 -2.056 0.889) 6.639 6.733 ( -2.729 1.530 1.724) 3.572 6.864 ( -6.809 1.843 3.439) 7.848 6.881 ( -6.183 11.363 -0.815) 12.962 6.946 ( -1.499 0.461 0.358) 1.609 7.171 ( -3.754 0.650 -2.809) 4.733 7.231 ( -4.020 0.072 -0.892) 4.119 7.313 ( -0.768 -0.761 -3.783) 3.934 7.359 ( 0.306 -3.009 3.679) 4.763 7.417 ( 2.198 1.882 0.377) 2.918 7.446 ( 7.314 3.685 1.388) 8.306 7.535 ( 2.681 -1.486 -0.715) 3.148 7.538 ( 2.825 1.933 0.813) 3.518 7.710 ( 2.713 2.745 -1.697) 4.216 7.761 ( 3.801 1.975 -0.104) 4.285 7.958 ( 1.350 1.745 0.028) 2.206 8.053 ( 6.226 0.827 1.988) 6.588 8.114 ( 0.496 -2.421 0.181) 2.478 8.181 ( 4.532 -2.799 -0.420) 5.343 8.242 ( -0.896 1.437 1.418) 2.209 8.300 ( -6.571 -0.780 -0.186) 6.620 8.323 ( 3.575 1.073 -0.729) 3.803 8.460 ( -0.980 3.120 1.877) 3.770 8.522 ( -2.133 4.513 2.353) 5.518 8.588 ( 0.373 0.388 -5.446) 5.473 8.644 ( -2.384 2.476 1.663) 3.818 8.757 ( -0.957 4.322 -0.819) 4.502 8.819 ( 5.442 4.144 -4.572) 8.228 8.885 ( -3.989 4.008 0.294) 5.663 9.012 ( -2.752 -1.970 2.977) 4.507 9.049 ( 4.221 -0.291 2.083) 4.716 9.061 ( -2.840 -4.884 7.440) 9.342 9.140 ( 2.538 1.366 -3.340) 4.412 9.180 ( 0.425 0.201 -0.864) 0.984 9.277 ( 5.488 1.166 -0.297) 5.618 9.302 ( 2.637 -0.439 -0.376) 2.699 9.363 ( 0.982 -0.553 0.893) 1.438 9.406 ( 0.739 -2.797 -0.552) 2.945 9.459 ( -1.045 0.093 -1.100) 1.520 9.501 ( 2.471 -3.772 -2.038) 4.948 9.532 ( 4.002 -3.158 -1.608) 5.346 9.601 ( -1.172 -2.950 1.894) 3.696 9.657 ( 3.384 -4.359 -0.867) 5.586 9.731 ( -0.340 -3.135 0.830) 3.261 9.807 ( 2.596 -4.205 -1.928) 5.304 10.005 ( -1.888 -1.044 4.550) 5.036 10.081 ( -0.089 1.830 -4.987) 5.313 10.192 ( -2.466 -2.826 4.396) 5.779 10.221 ( -0.031 -2.693 -5.092) 5.761 10.314 ( -3.678 1.129 2.008) 4.340 10.414 ( -1.927 -0.839 -0.906) 2.289 10.511 ( 3.043 5.102 -1.906) 6.239 10.572 ( 2.692 3.287 1.334) 4.454 10.749 ( 1.679 -2.304 4.838) 5.615 10.784 ( 2.508 -2.826 -3.316) 5.027 10.979 ( 0.248 7.086 2.453) 7.503 11.041 ( 2.253 5.278 -4.519) 7.304 11.401 ( 0.798 -10.908 9.662) 14.593 11.513 ( 4.680 -13.116 -10.077) 17.189 11.860 ( -5.064 4.950 -0.081) 7.082 12.023 ( 3.986 1.247 -1.926) 4.599 12.544 ( 0.984 4.833 6.477) 8.141 12.652 ( 5.815 1.833 -7.398) 9.586 13.270 ( -6.133 -5.097 -1.939) 8.207 13.400 ( -5.296 -8.472 0.430) 10.000 13.457 ( 1.878 0.694 0.209) 2.013 13.645 ( 4.039 -6.076 0.643) 7.324 13.879 ( -3.473 7.617 -0.205) 8.374 13.970 ( 0.377 4.762 -1.649) 5.053 14.260 ( -1.618 1.199 0.130) 2.018 14.290 ( 0.019 0.630 2.654) 2.728 14.335 ( -2.384 2.030 5.789) 6.582 14.462 ( 1.275 1.897 -4.547) 5.089 14.557 ( -4.142 -2.005 5.454) 7.137 14.699 ( 1.046 -3.533 -2.193) 4.288 16.730 ( 1.889 6.034 -0.382) 6.334 16.820 ( 5.697 5.960 -0.930) 8.297 16.978 ( 3.881 -0.686 0.013) 3.941 17.092 ( 7.771 1.357 -0.882) 7.938 17.448 ( -1.231 13.629 -5.646) 14.803 17.483 ( 2.743 13.241 6.415) 14.966 18.139 ( -4.233 -4.520 0.577) 6.219 18.203 ( 1.470 0.460 0.276) 1.565 18.246 ( 3.048 -2.050 0.660) 3.732 18.390 ( 6.925 1.831 1.316) 7.283 18.536 ( -3.694 -10.651 -1.758) 11.410 18.612 ( 1.394 -2.817 -0.217) 3.151 18.713 ( -1.640 2.044 0.458) 2.660 18.892 ( 5.936 -2.709 -0.784) 6.572 19.083 ( -1.363 -1.166 -0.992) 2.050 19.142 ( 0.469 -3.548 -0.504) 3.615 19.889 ( -8.919 -2.413 1.106) 9.305 19.953 ( -5.068 -2.531 -3.639) 6.732 20.200 ( -2.742 0.187 -1.620) 3.191 20.335 ( 1.947 -2.218 0.564) 3.005 20.416 ( -6.848 3.864 1.047) 7.932 20.515 ( -2.110 2.974 0.272) 3.656 20.756 ( -10.531 -2.915 6.335) 12.631 20.857 ( -6.584 -2.899 -6.079) 9.419 22.209 ( 1.344 0.777 -0.331) 1.588 22.236 ( 2.780 0.520 0.508) 2.874 22.262 ( 1.923 -1.061 0.141) 2.201 22.278 ( 2.146 -0.962 0.037) 2.352 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 19.220 4.682 -5.550) 20.546 1.429 ( 17.056 3.864 5.940) 18.469 1.691 ( 12.940 9.741 -15.340) 22.308 1.799 ( 13.341 5.565 16.112) 21.646 1.958 ( 2.607 -3.163 3.341) 5.288 2.072 ( 4.952 -5.833 -2.668) 8.103 2.114 ( 1.713 -3.169 0.868) 3.705 2.194 ( 1.997 -5.867 -0.673) 6.234 2.259 ( 3.589 -3.152 -1.974) 5.168 2.325 ( 6.562 -0.474 0.817) 6.629 2.391 ( -6.633 -0.944 1.632) 6.896 2.407 ( -3.341 2.157 1.875) 4.397 2.455 ( -0.766 3.433 1.269) 3.739 2.554 ( -2.486 -0.492 2.309) 3.428 2.558 ( -4.467 -4.795 2.256) 6.930 2.599 ( -3.284 1.926 1.252) 4.008 2.701 ( -3.702 -1.928 -2.724) 4.984 2.730 ( -3.836 -4.271 2.271) 6.174 2.801 ( 2.978 0.829 -1.117) 3.286 2.873 ( -0.491 2.793 0.369) 2.860 2.969 ( -1.887 -0.024 3.984) 4.408 3.006 ( 6.515 -0.115 -3.632) 7.460 3.094 ( -2.037 -2.039 -2.548) 3.847 3.155 ( 3.615 -2.269 2.398) 4.896 3.219 ( -0.413 1.102 2.973) 3.198 3.240 ( 4.387 7.795 -10.176) 13.548 3.321 ( 2.322 2.690 -1.812) 3.989 3.359 ( 6.549 6.530 0.407) 9.257 3.406 ( 5.094 1.985 -1.408) 5.645 3.465 ( 4.236 2.473 -1.651) 5.175 3.483 ( -3.743 3.982 -1.000) 5.556 3.504 ( -0.339 3.074 -1.197) 3.316 3.556 ( 1.234 1.333 4.066) 4.454 3.599 ( 4.945 8.364 2.646) 10.070 3.632 ( 0.656 -0.424 1.609) 1.789 3.674 ( 7.857 3.883 6.672) 11.014 3.750 ( 6.746 2.000 -0.714) 7.072 3.775 ( 3.355 -0.527 0.044) 3.397 3.840 ( 2.737 2.351 -4.911) 6.094 3.904 ( -1.601 6.859 0.337) 7.052 3.947 ( 0.018 -0.311 -0.758) 0.819 4.064 ( 0.279 1.302 1.633) 2.107 4.100 ( 2.305 -1.835 -6.856) 7.462 4.146 ( 6.354 3.898 -3.604) 8.280 4.213 ( -2.298 4.575 -3.079) 5.974 4.226 ( 2.828 -3.828 -0.938) 4.850 4.368 ( 0.966 -3.595 -0.634) 3.776 4.434 ( 1.315 -5.284 2.259) 5.895 4.509 ( 0.367 -5.963 -0.977) 6.053 4.576 ( -1.400 -6.243 4.132) 7.616 4.648 ( 6.641 -6.140 3.719) 9.779 4.698 ( -2.186 -9.277 -0.468) 9.542 4.814 ( -1.834 -7.370 0.190) 7.597 4.896 ( -2.808 5.656 -1.641) 6.524 4.972 ( -3.314 -2.698 2.832) 5.127 5.012 ( -3.157 -2.832 1.905) 4.649 5.041 ( -1.786 -1.337 3.486) 4.139 5.173 ( 0.511 2.841 -0.080) 2.888 5.221 ( 2.835 -1.182 -2.096) 3.719 5.306 ( -4.617 -0.396 -0.967) 4.734 5.315 ( 0.509 -1.277 0.180) 1.386 5.445 ( -3.456 -0.555 0.313) 3.514 5.474 ( 0.119 -3.440 0.223) 3.449 5.651 ( -3.480 4.191 -2.734) 6.095 5.696 ( -5.888 2.283 -0.321) 6.323 5.730 ( -8.242 -1.644 -0.845) 8.446 5.794 ( -3.044 2.057 1.906) 4.139 5.803 ( -5.098 0.698 -0.248) 5.152 5.944 ( -4.925 1.071 3.169) 5.953 6.025 ( -2.357 6.572 -1.534) 7.148 6.133 ( -8.209 -1.624 -0.699) 8.397 6.209 ( -1.747 -0.117 -0.038) 1.752 6.270 ( 1.454 -1.250 -1.038) 2.180 6.298 ( -3.282 -0.934 -2.502) 4.232 6.346 ( 2.798 -4.426 1.780) 5.531 6.411 ( -7.034 -2.818 1.403) 7.706 6.490 ( 1.655 2.369 -0.408) 2.918 6.593 ( 0.711 0.484 3.167) 3.282 6.700 ( -1.908 4.363 3.880) 6.143 6.749 ( -6.745 1.580 3.608) 7.811 6.798 ( -0.978 5.059 -4.888) 7.102 6.913 ( -2.416 -1.718 0.208) 2.972 7.075 ( -3.267 -0.067 -3.387) 4.706 7.186 ( -1.844 2.026 -1.486) 3.116 7.262 ( -1.833 -1.566 -0.302) 2.430 7.339 ( -2.584 -0.738 5.999) 6.573 7.460 ( 2.195 2.552 1.874) 3.853 7.496 ( -1.024 4.267 0.237) 4.394 7.634 ( 4.698 -2.144 1.034) 5.266 7.648 ( 6.202 1.558 -2.491) 6.863 7.733 ( 2.411 1.655 -1.938) 3.508 7.832 ( 2.134 -1.091 -1.757) 2.972 8.027 ( 4.687 0.925 3.646) 6.010 8.115 ( 1.319 -2.498 2.157) 3.554 8.154 ( 0.361 0.262 1.136) 1.221 8.215 ( 2.461 3.726 1.756) 4.798 8.249 ( 1.744 0.948 0.422) 2.030 8.288 ( 2.670 -3.605 0.576) 4.523 8.382 ( 0.697 1.149 0.570) 1.459 8.456 ( -0.996 3.768 0.069) 3.898 8.495 ( -1.990 3.292 1.527) 4.139 8.552 ( -1.599 4.140 -2.423) 5.056 8.597 ( 2.429 0.955 -5.760) 6.324 8.713 ( -1.653 0.361 -8.359) 8.528 8.817 ( -0.759 2.498 1.107) 2.836 8.912 ( 0.220 4.874 0.316) 4.889 8.975 ( -1.700 -1.227 1.746) 2.728 9.047 ( -1.957 -3.358 6.676) 7.725 9.100 ( -0.724 -0.460 0.617) 1.057 9.167 ( 3.092 1.945 -1.160) 3.832 9.226 ( 2.225 0.210 5.179) 5.641 9.283 ( -2.073 -3.921 -3.842) 5.868 9.338 ( -0.268 0.679 -1.697) 1.847 9.417 ( 5.553 -1.230 1.176) 5.808 9.447 ( 2.675 -1.880 -2.567) 4.157 9.504 ( 3.489 0.155 -3.269) 4.783 9.520 ( 2.138 1.254 1.766) 3.043 9.556 ( -1.714 -2.705 -1.676) 3.615 9.590 ( 3.716 -3.560 1.945) 5.501 9.731 ( 0.153 -2.583 -0.338) 2.609 9.764 ( 5.360 -5.053 3.624) 8.209 9.824 ( -0.409 -5.526 1.438) 5.724 9.983 ( -0.507 -0.024 -1.551) 1.632 10.052 ( -1.423 1.325 0.531) 2.015 10.135 ( -4.657 3.912 1.528) 6.271 10.206 ( 0.102 -2.328 -0.459) 2.376 10.307 ( -0.007 -1.863 1.257) 2.247 10.347 ( -4.250 -2.207 -2.287) 5.308 10.552 ( 2.765 5.519 -2.174) 6.544 10.607 ( 0.574 3.179 0.886) 3.349 10.807 ( 2.166 -1.534 0.655) 2.734 10.825 ( 2.080 -2.874 1.112) 3.718 10.998 ( 0.612 8.417 1.127) 8.514 11.060 ( 2.607 5.309 -3.751) 7.004 11.472 ( -0.134 -9.670 9.965) 13.886 11.558 ( 6.651 -11.518 -9.129) 16.132 11.781 ( -4.022 6.020 2.909) 7.803 12.050 ( 1.067 1.186 -4.531) 4.804 12.610 ( 1.183 -2.183 6.778) 7.218 12.735 ( 7.564 -2.545 -6.129) 10.063 13.151 ( -4.976 -7.216 -2.358) 9.077 13.282 ( -5.666 -9.283 -1.816) 11.026 13.522 ( 3.484 3.973 1.576) 5.515 13.705 ( 1.517 -4.844 2.467) 5.643 13.798 ( -4.149 8.056 -2.134) 9.310 13.930 ( -2.987 1.920 -2.511) 4.349 14.250 ( 0.047 3.141 0.612) 3.200 14.300 ( -0.881 2.466 2.186) 3.411 14.335 ( -1.501 1.357 4.947) 5.345 14.441 ( -0.469 -0.037 -3.307) 3.341 14.542 ( -0.988 0.769 3.805) 4.006 14.688 ( 0.026 -2.817 -3.481) 4.478 16.795 ( 3.826 9.019 2.409) 10.089 16.903 ( 4.392 9.110 -2.120) 10.334 17.082 ( 5.841 1.306 0.878) 6.049 17.193 ( 3.295 6.416 -1.364) 7.340 17.483 ( 8.396 2.852 -0.306) 8.872 17.585 ( 4.783 2.425 3.982) 6.679 18.046 ( -6.452 -8.837 -0.043) 10.942 18.187 ( -5.617 -3.151 1.256) 6.562 18.338 ( 6.502 -3.473 -1.543) 7.531 18.461 ( 0.204 -4.808 -1.688) 5.100 18.536 ( 4.849 -2.219 5.286) 7.509 18.649 ( 1.687 0.037 1.693) 2.390 18.712 ( 1.937 3.108 -1.128) 3.832 18.927 ( -0.352 -1.260 -2.703) 3.002 19.106 ( 1.985 -1.109 -1.104) 2.527 19.146 ( 2.108 -2.841 -0.778) 3.622 19.720 ( -7.951 1.694 -1.560) 8.278 19.819 ( -5.969 0.776 -5.205) 7.958 20.155 ( -1.972 -0.038 0.289) 1.993 20.279 ( -6.702 -0.255 -1.384) 6.848 20.350 ( -1.753 1.635 2.446) 3.425 20.448 ( -4.788 1.351 0.178) 4.979 20.571 ( -12.876 -1.652 6.096) 14.342 20.671 ( -8.363 -2.146 -6.264) 10.667 22.243 ( 2.236 0.608 0.152) 2.323 22.285 ( 1.902 -0.108 0.156) 1.911 22.301 ( 1.918 -1.066 0.593) 2.273 22.317 ( 2.283 -0.654 -0.655) 2.463 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 17.313 2.360 -1.257) 17.519 1.764 ( 13.394 0.461 -3.763) 13.920 1.847 ( 12.379 4.884 1.677) 13.413 1.970 ( 3.861 0.709 -3.477) 5.244 1.998 ( -11.018 -0.602 2.154) 11.242 2.049 ( -2.047 -1.623 6.579) 7.079 2.114 ( -2.862 -0.660 4.784) 5.614 2.179 ( -8.471 -1.577 -2.056) 8.858 2.234 ( 2.395 2.748 6.517) 7.467 2.340 ( -4.454 -3.065 -0.010) 5.407 2.370 ( 7.060 -4.787 -1.584) 8.676 2.405 ( 0.331 -1.948 1.660) 2.580 2.489 ( 3.686 0.255 -2.165) 4.282 2.555 ( -1.598 0.936 3.134) 3.640 2.585 ( 3.099 -6.605 5.248) 8.987 2.606 ( 3.577 -1.313 0.470) 3.839 2.653 ( -3.254 -2.217 3.863) 5.516 2.727 ( 5.442 -2.140 -3.117) 6.626 2.808 ( -2.505 0.880 1.000) 2.837 2.896 ( 2.034 -0.319 -5.180) 5.574 2.945 ( -3.198 2.057 0.818) 3.890 2.997 ( -0.087 -0.586 1.513) 1.625 3.095 ( -2.904 -1.102 -3.575) 4.736 3.134 ( -1.986 -2.265 -2.134) 3.692 3.254 ( -0.009 1.210 3.590) 3.789 3.285 ( 4.108 1.689 1.215) 4.605 3.301 ( 0.686 6.214 -4.398) 7.644 3.381 ( -1.132 4.203 -1.260) 4.531 3.426 ( -1.731 4.618 2.303) 5.443 3.437 ( -3.429 3.704 -1.815) 5.364 3.476 ( 2.766 1.730 -3.140) 4.528 3.575 ( 5.466 3.376 -2.213) 6.795 3.591 ( -2.992 -1.140 -2.717) 4.199 3.635 ( 1.345 2.881 4.294) 5.343 3.657 ( 0.954 1.650 1.337) 2.328 3.768 ( -0.635 2.572 -0.680) 2.735 3.796 ( -0.682 0.456 -2.998) 3.108 3.829 ( 0.051 2.212 -2.791) 3.561 3.910 ( 3.110 2.058 -1.386) 3.978 3.945 ( 6.559 4.205 -0.057) 7.791 3.972 ( -1.878 2.705 1.974) 3.839 4.041 ( 2.107 1.281 -9.069) 9.399 4.100 ( -1.084 -0.054 -0.105) 1.091 4.169 ( 1.884 -1.967 -4.823) 5.540 4.239 ( 5.280 3.663 6.890) 9.422 4.347 ( 3.400 1.035 -0.760) 3.634 4.368 ( -0.337 0.966 -2.253) 2.474 4.422 ( 5.876 0.190 0.371) 5.890 4.602 ( 3.215 -0.656 4.005) 5.178 4.615 ( 7.274 1.169 4.991) 8.899 4.696 ( 1.003 -1.307 1.485) 2.218 4.743 ( -5.432 -4.858 2.367) 7.662 4.814 ( -9.551 -0.988 1.090) 9.664 4.836 ( 6.507 -3.618 -1.310) 7.560 4.866 ( -1.032 0.541 -1.791) 2.137 4.934 ( -4.067 -2.607 4.331) 6.488 5.078 ( -1.129 0.296 7.086) 7.182 5.124 ( -1.595 -1.748 -0.813) 2.503 5.228 ( -1.585 0.055 2.183) 2.699 5.299 ( -0.184 0.877 -5.850) 5.918 5.341 ( 3.974 -0.833 -0.638) 4.111 5.402 ( 0.717 -0.193 -1.797) 1.944 5.463 ( -5.029 -3.834 -1.773) 6.568 5.556 ( -4.260 -4.162 -2.785) 6.575 5.613 ( -1.006 3.794 0.095) 3.926 5.657 ( -1.014 1.248 -1.444) 2.161 5.722 ( 1.243 -2.771 -0.196) 3.043 5.783 ( -1.361 -0.034 4.164) 4.381 5.876 ( -5.069 0.083 5.648) 7.590 5.958 ( -4.731 -1.240 -1.436) 5.098 6.000 ( -2.051 1.286 -2.668) 3.603 6.078 ( -6.465 0.737 -3.591) 7.432 6.289 ( 0.336 -2.566 0.984) 2.768 6.302 ( 1.701 -1.889 -0.673) 2.630 6.353 ( -1.364 -2.596 1.283) 3.201 6.379 ( 0.427 -3.523 -1.202) 3.747 6.511 ( 0.735 2.064 0.240) 2.204 6.547 ( -3.566 1.608 -0.187) 3.916 6.684 ( -2.092 0.437 0.988) 2.355 6.721 ( -1.057 0.587 -2.192) 2.504 6.814 ( 3.107 3.265 8.334) 9.475 6.896 ( 0.143 2.805 1.986) 3.440 7.012 ( -1.495 0.690 -2.715) 3.176 7.111 ( -3.851 0.199 -4.251) 5.739 7.282 ( 1.654 1.041 4.117) 4.558 7.364 ( 1.293 1.248 2.792) 3.321 7.465 ( -1.441 1.643 2.589) 3.388 7.524 ( 1.545 1.156 3.614) 4.097 7.630 ( -1.912 0.490 -2.798) 3.424 7.713 ( 2.071 -0.137 -4.098) 4.594 7.764 ( 1.556 0.875 -0.786) 1.951 7.842 ( 1.736 -1.510 -4.730) 5.260 8.103 ( -1.978 1.001 5.373) 5.813 8.153 ( 2.149 0.014 6.767) 7.101 8.202 ( 2.814 2.011 0.833) 3.557 8.262 ( 0.561 2.944 -0.815) 3.106 8.305 ( 2.309 -2.038 3.960) 5.017 8.320 ( 2.065 0.254 -3.404) 3.989 8.346 ( -2.613 -0.278 -0.226) 2.637 8.436 ( -0.972 -0.032 1.527) 1.811 8.490 ( 0.275 2.657 0.144) 2.675 8.541 ( 0.080 2.207 -1.671) 2.769 8.596 ( 1.504 -2.868 -7.637) 8.296 8.645 ( 0.348 -1.235 -8.528) 8.624 8.805 ( -0.313 1.395 1.681) 2.207 8.898 ( -0.859 4.918 -2.211) 5.461 8.962 ( -0.786 0.524 2.992) 3.137 9.058 ( -1.651 -0.313 -0.727) 1.831 9.081 ( 0.570 -0.860 3.563) 3.710 9.178 ( -1.497 -2.327 -2.871) 3.987 9.269 ( 1.382 1.469 0.952) 2.230 9.288 ( 1.075 -0.681 6.164) 6.294 9.327 ( 0.027 1.061 -1.753) 2.049 9.399 ( -3.611 -2.009 0.766) 4.203 9.462 ( -0.858 1.699 -2.719) 3.319 9.518 ( -1.805 -1.295 -0.226) 2.233 9.566 ( 5.758 -2.378 2.527) 6.723 9.619 ( 5.069 0.229 0.472) 5.096 9.701 ( 0.667 -5.642 -1.527) 5.883 9.705 ( 1.425 -2.925 -0.550) 3.300 9.818 ( -1.446 -3.407 3.378) 5.011 9.862 ( 3.356 -3.843 -0.499) 5.126 10.005 ( 3.501 1.864 -1.950) 4.420 10.042 ( -0.995 2.062 2.750) 3.578 10.065 ( -2.011 2.799 1.408) 3.723 10.198 ( -3.108 0.896 0.466) 3.268 10.256 ( -3.549 -3.743 1.495) 5.370 10.310 ( 1.219 -2.488 -2.681) 3.856 10.581 ( 1.751 5.509 -1.432) 5.955 10.605 ( -0.498 4.735 -1.611) 5.026 10.837 ( 0.431 -2.061 1.166) 2.407 10.842 ( -0.819 0.008 1.263) 1.505 11.021 ( 1.293 7.602 0.332) 7.718 11.076 ( 1.544 6.402 -3.736) 7.572 11.504 ( -3.878 -8.824 9.693) 13.670 11.626 ( 7.090 -9.118 -8.494) 14.337 11.779 ( 1.203 5.738 5.640) 8.135 12.008 ( -1.005 3.420 -7.849) 8.620 12.663 ( -0.439 -9.295 7.680) 12.065 12.814 ( 4.491 -10.050 -6.115) 12.592 13.089 ( 0.044 -5.526 -1.230) 5.661 13.175 ( -4.587 -6.387 -2.602) 8.283 13.599 ( 3.504 4.790 2.367) 6.390 13.709 ( -3.490 5.419 -0.771) 6.492 13.746 ( 0.716 -1.100 2.037) 2.423 13.856 ( -2.614 -0.649 -3.160) 4.152 14.262 ( 0.844 3.812 0.632) 3.955 14.287 ( -1.327 3.501 0.798) 3.828 14.338 ( -1.806 1.535 4.894) 5.438 14.418 ( 0.050 -0.758 -2.367) 2.486 14.554 ( -0.532 1.149 3.516) 3.737 14.663 ( 0.144 -1.881 -4.407) 4.794 16.868 ( 1.238 12.140 4.199) 12.905 16.950 ( 2.553 11.902 -3.147) 12.573 17.160 ( 1.699 3.998 1.960) 4.766 17.218 ( 1.341 6.095 -1.908) 6.525 17.690 ( 6.838 -4.047 1.968) 8.186 17.717 ( 11.833 -4.490 1.202) 12.713 17.911 ( -6.661 -11.439 -0.862) 13.265 18.027 ( -11.271 -8.690 0.625) 14.246 18.438 ( 5.141 -1.800 -1.184) 5.574 18.475 ( -0.191 -0.776 0.490) 0.937 18.627 ( 1.950 1.134 4.271) 4.831 18.677 ( -0.078 0.418 1.925) 1.971 18.788 ( 5.908 -0.381 -0.815) 5.977 18.898 ( 0.231 -0.856 -4.117) 4.211 19.093 ( -0.701 -1.602 -0.790) 1.919 19.178 ( 0.196 -3.055 -3.386) 4.565 19.613 ( -4.183 5.015 1.847) 6.787 19.702 ( -2.294 4.342 -5.902) 7.678 20.120 ( -3.459 0.614 2.475) 4.297 20.169 ( -2.993 0.479 -1.875) 3.564 20.325 ( -2.393 1.100 2.553) 3.668 20.387 ( -1.159 1.231 -1.860) 2.514 20.424 ( -5.759 -2.693 5.628) 8.490 20.523 ( -2.995 -2.619 -4.942) 6.344 22.281 ( 1.520 0.024 0.460) 1.588 22.302 ( 0.009 -0.670 0.100) 0.677 22.330 ( 0.605 -0.039 0.508) 0.791 22.344 ( 1.136 -0.439 -0.974) 1.560 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -21.578 3.911 4.949) 22.481 1.668 ( -16.391 4.105 5.341) 17.722 1.850 ( -11.977 -0.648 0.680) 12.013 1.986 ( -1.035 -3.563 -2.320) 4.376 2.044 ( 2.396 -1.234 -0.951) 2.858 2.101 ( 5.090 -2.776 -3.141) 6.594 2.171 ( 16.096 2.683 -0.815) 16.339 2.233 ( 10.990 1.019 -4.517) 11.925 2.301 ( -2.389 -6.390 -0.994) 6.894 2.323 ( 5.976 -3.284 1.341) 6.949 2.392 ( -2.051 1.959 -2.062) 3.506 2.461 ( 3.097 0.015 -3.444) 4.632 2.488 ( -4.785 0.113 -1.992) 5.184 2.565 ( 4.820 0.538 2.194) 5.323 2.585 ( -0.943 -1.316 2.139) 2.682 2.643 ( -3.411 -0.996 1.690) 3.935 2.693 ( 3.120 -1.127 -1.255) 3.547 2.748 ( -6.508 -3.170 -6.417) 9.674 2.797 ( 0.388 0.184 2.795) 2.828 2.852 ( 1.480 -2.150 -2.253) 3.448 2.947 ( 0.226 3.198 4.444) 5.480 2.990 ( 1.654 2.328 -2.328) 3.684 3.038 ( -2.801 -0.978 3.199) 4.363 3.121 ( 1.574 -4.338 -1.989) 5.025 3.179 ( -10.152 3.832 4.768) 11.853 3.287 ( -1.379 2.851 -0.454) 3.200 3.321 ( -3.216 2.002 -1.000) 3.918 3.373 ( -2.080 0.907 6.503) 6.887 3.417 ( 1.290 6.090 0.947) 6.297 3.442 ( -1.184 -0.617 -1.678) 2.144 3.482 ( -2.512 -2.104 -4.868) 5.868 3.495 ( 5.085 3.610 5.841) 8.544 3.547 ( -5.774 6.748 1.326) 8.979 3.628 ( -2.143 3.113 2.983) 4.815 3.668 ( -8.115 1.293 3.802) 9.054 3.749 ( 2.709 2.026 0.259) 3.393 3.780 ( 0.973 2.610 -3.296) 4.316 3.827 ( -1.425 -0.788 -2.271) 2.794 3.843 ( -1.040 1.700 1.632) 2.576 3.916 ( 0.298 3.490 0.333) 3.518 3.999 ( 1.895 1.502 -5.627) 6.125 4.094 ( -2.028 -1.925 1.110) 3.009 4.106 ( -2.386 -2.614 -4.316) 5.582 4.184 ( 4.605 -1.000 -7.878) 9.180 4.313 ( -5.145 0.682 2.160) 5.622 4.346 ( -0.489 1.382 1.418) 2.039 4.364 ( -1.707 1.199 -1.843) 2.784 4.404 ( -4.215 3.254 -0.948) 5.409 4.585 ( -9.863 -0.482 2.795) 10.262 4.648 ( 4.063 4.135 -2.833) 6.452 4.707 ( -1.166 -0.259 3.723) 3.910 4.787 ( 1.865 1.440 -0.714) 2.462 4.796 ( 3.848 -4.132 -1.158) 5.764 4.855 ( -1.276 -4.269 0.821) 4.530 4.903 ( 9.724 0.435 -4.760) 10.835 5.018 ( 11.820 3.603 0.347) 12.362 5.091 ( -3.425 -1.980 5.263) 6.584 5.156 ( -1.286 -0.327 2.624) 2.940 5.200 ( -2.248 -1.946 -5.075) 5.882 5.256 ( 3.650 -0.223 -1.233) 3.859 5.358 ( 0.548 -2.137 1.341) 2.582 5.388 ( 1.594 -2.489 3.857) 4.859 5.457 ( -1.072 -2.297 -4.705) 5.344 5.506 ( 5.045 -2.803 -1.601) 5.989 5.613 ( -1.339 3.284 -0.060) 3.547 5.628 ( 0.329 1.102 1.127) 1.610 5.710 ( -3.104 -0.749 0.238) 3.202 5.841 ( 2.075 -1.556 0.652) 2.675 5.893 ( 6.906 0.828 3.202) 7.657 5.957 ( 2.301 -0.697 -1.986) 3.119 5.989 ( 3.302 0.685 2.810) 4.390 6.007 ( 1.133 -1.248 -0.973) 1.946 6.295 ( -0.973 -1.552 0.430) 1.881 6.309 ( -0.574 -2.087 -1.004) 2.387 6.352 ( 0.435 -2.805 1.395) 3.163 6.375 ( 1.551 -2.338 -0.998) 2.978 6.506 ( -2.061 -0.074 0.916) 2.257 6.522 ( 0.346 1.460 1.897) 2.419 6.679 ( 0.813 1.486 0.307) 1.722 6.707 ( 1.868 -0.062 -1.070) 2.154 6.889 ( -1.515 3.956 3.381) 5.420 6.926 ( 2.160 3.821 2.600) 5.102 6.999 ( -3.740 0.034 -4.518) 5.865 7.029 ( 2.383 0.295 2.367) 3.372 7.344 ( 2.134 3.025 3.201) 4.894 7.359 ( -0.972 2.488 -3.778) 4.627 7.489 ( -1.938 -2.861 4.991) 6.071 7.545 ( 2.176 -1.604 1.392) 3.041 7.624 ( 1.167 3.902 1.269) 4.266 7.670 ( -2.280 0.677 -6.819) 7.222 7.782 ( 0.087 -0.424 0.997) 1.087 7.818 ( -0.696 0.070 -5.498) 5.542 8.115 ( -0.078 0.643 5.989) 6.024 8.186 ( -2.269 0.395 1.631) 2.822 8.222 ( -1.044 3.226 0.743) 3.471 8.255 ( -4.911 -0.285 -0.757) 4.978 8.283 ( 2.742 1.605 0.109) 3.179 8.333 ( 0.583 0.837 -2.731) 2.915 8.377 ( 0.041 -3.759 6.393) 7.416 8.429 ( -0.095 -3.326 -0.907) 3.449 8.489 ( -1.294 0.429 -0.153) 1.372 8.516 ( 0.170 3.470 -2.692) 4.395 8.556 ( -2.274 -2.685 -2.725) 4.451 8.618 ( 2.155 -0.605 -6.455) 6.832 8.828 ( 0.675 2.538 1.939) 3.264 8.886 ( 3.088 3.901 -4.116) 6.457 8.981 ( -1.078 0.379 3.098) 3.302 9.034 ( 1.468 4.060 -0.265) 4.326 9.122 ( -0.428 -1.971 -1.355) 2.430 9.154 ( 2.963 -1.848 0.190) 3.497 9.256 ( -2.396 2.215 1.660) 3.661 9.303 ( -1.152 -1.666 2.188) 2.981 9.345 ( -0.529 2.504 -1.792) 3.124 9.395 ( 2.383 -4.059 1.678) 4.997 9.414 ( -4.652 0.223 5.319) 7.070 9.510 ( 1.469 2.505 0.503) 2.947 9.609 ( -4.291 -2.005 -0.562) 4.770 9.651 ( -3.478 -3.154 -5.044) 6.891 9.675 ( 1.228 -4.733 1.272) 5.052 9.711 ( 1.075 -1.649 -1.294) 2.356 9.828 ( -0.700 -3.872 3.112) 5.016 9.879 ( 0.811 -3.753 -2.974) 4.857 9.971 ( -3.686 0.362 0.126) 3.705 10.086 ( 3.380 1.094 -1.682) 3.931 10.114 ( -0.038 -1.323 -1.639) 2.107 10.158 ( 4.760 0.770 4.004) 6.268 10.220 ( -3.301 0.875 2.926) 4.497 10.333 ( 2.757 -2.588 -3.003) 4.828 10.572 ( -1.348 7.332 -1.866) 7.685 10.608 ( 1.879 3.640 -1.082) 4.237 10.806 ( -3.619 -0.628 2.768) 4.600 10.860 ( 0.477 0.059 1.458) 1.536 11.033 ( -0.366 3.256 -0.646) 3.339 11.074 ( 1.259 9.824 -3.991) 10.678 11.463 ( -6.467 -9.329 8.658) 14.276 11.688 ( 5.323 -9.216 -9.782) 14.455 11.875 ( 3.903 5.199 6.245) 9.015 11.933 ( -0.058 4.956 -10.035) 11.193 12.673 ( -4.989 -8.850 8.258) 13.092 12.812 ( 0.984 -14.443 -7.596) 16.348 13.100 ( -0.622 -4.243 -2.427) 4.927 13.138 ( 4.151 -4.203 1.170) 6.022 13.623 ( -3.706 5.378 -0.152) 6.533 13.688 ( 3.300 5.818 0.615) 6.717 13.785 ( 1.110 -0.618 3.068) 3.320 13.807 ( -0.291 -3.655 -2.429) 4.398 14.269 ( -0.848 3.909 0.031) 4.000 14.288 ( 1.430 3.252 0.592) 3.602 14.333 ( -2.278 1.657 5.584) 6.254 14.414 ( 1.089 -0.409 -2.018) 2.329 14.565 ( -1.217 0.454 4.996) 5.162 14.638 ( 0.259 -1.338 -4.417) 4.623 16.885 ( -1.934 12.419 3.548) 13.060 16.945 ( -0.976 9.581 -3.593) 10.280 17.169 ( -1.856 4.779 1.687) 5.397 17.223 ( 0.365 5.394 -3.121) 6.243 17.700 ( -7.690 -0.906 1.473) 7.882 17.737 ( -8.113 -5.952 -0.848) 10.098 17.903 ( 3.542 -13.213 -0.282) 13.682 18.023 ( 12.457 -8.369 0.931) 15.036 18.424 ( -4.967 1.220 0.031) 5.115 18.505 ( 2.192 -1.714 -2.134) 3.507 18.657 ( -1.593 2.341 1.414) 3.165 18.676 ( -0.297 2.096 2.259) 3.096 18.817 ( -1.673 -1.777 -4.275) 4.922 18.919 ( 5.276 -5.630 -6.619) 10.166 19.093 ( -1.469 -1.333 3.493) 4.017 19.121 ( -1.722 -1.434 -1.777) 2.860 19.579 ( -2.302 6.567 5.003) 8.570 19.667 ( 1.439 3.408 -2.064) 4.236 20.097 ( 0.508 1.795 4.468) 4.841 20.164 ( 2.268 -0.542 -0.932) 2.511 20.328 ( 0.739 1.629 3.655) 4.069 20.371 ( 1.670 2.003 -1.896) 3.224 20.436 ( 2.426 -2.233 3.413) 4.745 20.534 ( 7.401 -3.379 -5.032) 9.566 22.288 ( -1.490 -0.193 -0.197) 1.515 22.299 ( 0.043 -0.403 0.394) 0.565 22.326 ( -1.385 0.128 0.688) 1.552 22.346 ( -0.250 -0.739 -0.941) 1.222 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -24.403 8.456 5.360) 26.377 1.421 ( -16.384 12.298 11.927) 23.705 1.605 ( -9.823 -2.223 -9.238) 13.666 1.973 ( 1.387 -4.346 -1.849) 4.923 2.018 ( -4.885 -1.636 1.862) 5.478 2.120 ( -4.638 -3.827 -1.898) 6.305 2.133 ( -12.462 -0.183 -10.333) 16.190 2.234 ( -3.969 -4.279 -6.262) 8.560 2.274 ( -1.609 -1.929 -3.402) 4.229 2.361 ( -14.863 7.193 1.260) 16.560 2.405 ( 1.411 -0.620 -1.553) 2.188 2.466 ( 2.332 1.387 -0.827) 2.836 2.479 ( 6.888 2.492 -3.824) 8.263 2.550 ( 0.337 -3.020 3.256) 4.453 2.582 ( -1.644 2.013 0.084) 2.600 2.634 ( 3.952 -0.927 -3.761) 5.534 2.689 ( 8.396 -3.736 -1.297) 9.281 2.767 ( 1.371 0.795 0.304) 1.613 2.807 ( 2.180 1.171 -0.855) 2.618 2.836 ( -4.581 0.860 1.249) 4.826 2.919 ( -4.515 3.653 8.584) 10.364 3.002 ( 0.014 -0.545 0.469) 0.719 3.034 ( 1.264 0.306 -2.263) 2.610 3.091 ( 1.919 -1.512 1.538) 2.887 3.160 ( -1.331 -2.303 4.349) 5.098 3.261 ( -2.251 3.439 0.075) 4.111 3.300 ( -0.682 0.337 3.448) 3.531 3.351 ( -3.051 5.860 -1.417) 6.756 3.386 ( -3.218 1.342 0.081) 3.487 3.399 ( -6.129 0.894 3.043) 6.901 3.467 ( 0.622 5.534 1.791) 5.850 3.469 ( 0.613 2.744 0.595) 2.874 3.560 ( -1.950 2.806 4.103) 5.339 3.643 ( 0.376 -3.476 -2.222) 4.143 3.646 ( -2.331 1.067 5.564) 6.126 3.716 ( -2.644 -2.989 0.946) 4.102 3.765 ( -1.930 -0.426 -1.355) 2.396 3.810 ( -5.645 3.797 -3.658) 7.724 3.833 ( 0.468 4.053 -2.787) 4.941 3.902 ( -1.380 2.711 1.371) 3.337 3.953 ( 1.654 3.034 -3.167) 4.687 3.995 ( 2.079 2.981 -4.512) 5.794 4.081 ( -4.981 -4.200 0.904) 6.578 4.122 ( -1.140 0.102 1.663) 2.019 4.242 ( -7.351 -7.705 -1.011) 10.697 4.272 ( -2.336 2.368 -7.125) 7.864 4.335 ( -3.307 -1.581 4.140) 5.530 4.381 ( -2.374 0.781 0.431) 2.536 4.459 ( 0.636 -2.727 3.541) 4.514 4.650 ( -2.355 -1.225 -0.956) 2.821 4.718 ( -1.750 -5.931 -5.170) 8.060 4.748 ( -0.607 -0.227 -3.922) 3.975 4.853 ( 2.584 0.854 3.105) 4.129 4.883 ( 3.988 -5.770 -5.584) 8.965 5.004 ( -4.223 1.684 6.032) 7.553 5.077 ( 2.362 -3.153 -4.425) 5.925 5.117 ( 1.698 3.291 -2.592) 4.520 5.136 ( 1.922 -2.634 -3.318) 4.652 5.241 ( 7.257 -3.805 1.462) 8.323 5.298 ( 1.454 3.400 -5.497) 6.625 5.359 ( 0.291 -4.955 -3.107) 5.856 5.431 ( 4.574 1.178 1.844) 5.071 5.468 ( -0.758 -4.787 1.555) 5.090 5.621 ( 4.098 5.848 -0.529) 7.161 5.663 ( 8.280 -3.836 5.017) 10.414 5.699 ( 5.205 3.038 2.084) 6.377 5.734 ( 5.964 2.951 2.309) 7.043 5.845 ( 0.479 1.163 -2.152) 2.493 5.977 ( 0.881 0.357 0.387) 1.026 6.016 ( 3.933 6.174 -1.789) 7.535 6.101 ( 8.621 -1.397 2.809) 9.174 6.154 ( 8.347 0.254 5.939) 10.248 6.262 ( -1.806 -1.693 -0.658) 2.561 6.279 ( -1.558 -1.286 -1.002) 2.255 6.372 ( 0.635 -4.481 -0.438) 4.547 6.430 ( 4.902 -2.289 -0.217) 5.415 6.472 ( -2.073 0.764 1.150) 2.491 6.570 ( 1.701 -0.733 4.558) 4.920 6.714 ( 2.871 5.478 2.048) 6.515 6.772 ( 5.040 1.544 0.970) 5.360 6.827 ( -4.590 1.737 -5.475) 7.352 6.902 ( -2.574 1.154 -0.267) 2.834 7.000 ( 2.988 1.884 3.874) 5.243 7.116 ( 2.916 1.607 5.584) 6.502 7.306 ( -1.724 1.165 -3.223) 3.837 7.402 ( 2.985 2.734 -0.665) 4.102 7.479 ( -0.097 -1.220 2.673) 2.940 7.561 ( -4.699 0.536 -5.774) 7.464 7.608 ( 1.683 -0.053 -0.298) 1.710 7.620 ( -3.235 2.529 1.215) 4.282 7.761 ( -2.006 -0.949 -2.788) 3.563 7.786 ( 0.371 -1.395 0.446) 1.511 8.096 ( -6.919 -2.301 -1.153) 7.382 8.117 ( -4.491 -0.555 1.617) 4.806 8.172 ( -2.511 0.506 -0.997) 2.749 8.214 ( -0.762 3.037 1.947) 3.688 8.285 ( -1.963 2.776 -3.791) 5.092 8.331 ( -0.792 -3.356 -2.255) 4.120 8.385 ( 0.105 0.100 0.760) 0.773 8.444 ( -0.212 1.750 -1.136) 2.097 8.476 ( 0.985 -4.534 6.560) 8.035 8.509 ( 0.113 3.052 -0.080) 3.055 8.551 ( 3.198 4.092 3.230) 6.116 8.622 ( 2.639 2.180 -5.292) 6.303 8.871 ( 2.496 2.322 1.037) 3.563 8.897 ( -0.597 6.998 -3.909) 8.038 8.983 ( 1.080 -1.197 2.623) 3.079 9.086 ( 2.053 3.971 1.743) 4.798 9.107 ( 0.286 -0.896 -1.929) 2.146 9.209 ( 1.572 -2.056 0.362) 2.613 9.225 ( -2.825 1.072 -1.567) 3.404 9.292 ( -0.548 -1.986 0.863) 2.233 9.307 ( -1.588 -0.184 1.955) 2.526 9.382 ( -3.328 1.144 2.808) 4.503 9.430 ( -0.292 -2.362 2.937) 3.780 9.482 ( -6.661 2.199 -1.274) 7.129 9.513 ( -5.352 -5.815 -3.968) 8.844 9.569 ( 1.212 -0.146 -0.031) 1.221 9.642 ( -2.438 -3.508 -2.797) 5.107 9.719 ( -0.944 -0.776 0.054) 1.223 9.825 ( -0.835 -5.695 0.515) 5.779 9.861 ( -1.305 -6.291 -4.585) 7.893 9.938 ( 0.758 -2.021 1.897) 2.873 10.080 ( -0.033 -3.971 -0.672) 4.028 10.175 ( -2.519 -0.108 1.282) 2.828 10.184 ( 5.743 0.828 -3.298) 6.675 10.284 ( 5.476 1.868 3.000) 6.518 10.349 ( 0.796 -1.340 -2.045) 2.571 10.529 ( -2.471 7.709 -0.624) 8.119 10.630 ( 0.948 1.495 -1.125) 2.098 10.753 ( -4.532 -0.398 3.543) 5.766 10.868 ( -0.470 -0.932 0.394) 1.116 11.001 ( -2.183 1.228 -0.572) 2.569 11.067 ( 0.722 10.620 -4.292) 11.477 11.396 ( -6.665 -10.946 8.173) 15.200 11.671 ( 0.396 -10.411 -11.272) 15.350 11.892 ( 2.759 4.702 -8.341) 9.965 11.977 ( 2.681 3.349 3.379) 5.461 12.593 ( -8.090 -2.012 7.586) 11.271 12.764 ( -1.053 -7.954 -8.378) 11.600 13.131 ( 5.079 -4.916 -1.053) 7.147 13.236 ( 5.043 -6.171 2.975) 8.507 13.545 ( -3.964 3.763 -1.052) 5.567 13.750 ( 0.630 3.308 0.026) 3.368 13.766 ( 0.887 -1.541 -1.229) 2.162 13.868 ( 3.384 -0.605 4.189) 5.419 14.259 ( -0.183 3.659 -0.407) 3.686 14.315 ( 1.166 2.382 0.187) 2.659 14.332 ( -2.110 1.753 6.924) 7.447 14.426 ( 1.887 0.862 -3.422) 4.002 14.584 ( -0.657 -1.884 7.187) 7.459 14.622 ( 1.042 -1.347 -3.701) 4.074 16.838 ( -4.897 7.892 -0.628) 9.309 16.879 ( -3.762 6.899 -0.576) 7.879 17.108 ( -5.552 1.350 -1.426) 5.889 17.181 ( -3.033 4.568 -0.487) 5.505 17.493 ( -10.989 0.897 -0.829) 11.057 17.662 ( 0.226 7.379 -4.599) 8.697 18.025 ( 6.790 -11.016 2.018) 13.097 18.207 ( 7.144 -6.343 -0.031) 9.554 18.312 ( -6.669 0.268 0.206) 6.677 18.466 ( -4.294 -3.758 -2.022) 6.054 18.639 ( 0.013 2.279 -2.010) 3.039 18.685 ( -0.076 1.438 0.939) 1.719 18.707 ( -5.409 1.227 -7.265) 9.140 18.940 ( 1.205 -5.181 -4.632) 7.054 19.091 ( -2.276 -0.771 0.761) 2.520 19.113 ( 1.198 -2.801 2.764) 4.113 19.619 ( 3.805 6.100 8.704) 11.289 19.747 ( 6.776 -0.849 2.804) 7.382 20.161 ( 2.291 -0.693 0.248) 2.406 20.231 ( 4.520 -2.011 3.190) 5.886 20.403 ( 5.125 4.223 -0.325) 6.648 20.415 ( 4.082 3.852 1.217) 5.742 20.547 ( 6.255 -1.170 5.607) 8.481 20.682 ( 11.654 -3.559 -5.097) 13.208 22.248 ( -2.519 0.555 -0.360) 2.604 22.287 ( -1.692 -0.352 0.008) 1.728 22.296 ( -2.158 -0.062 0.903) 2.340 22.323 ( -1.574 -1.794 -0.958) 2.571 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -14.474 10.427 11.888) 21.437 1.206 ( -18.086 12.090 16.214) 27.133 1.414 ( -1.803 -2.911 -16.359) 16.713 1.735 ( -17.267 -5.030 -17.452) 25.060 1.894 ( -9.881 11.739 1.738) 15.442 1.931 ( -4.186 1.068 1.129) 4.465 2.035 ( -5.150 -4.913 -2.337) 7.492 2.129 ( -6.577 8.957 4.085) 11.839 2.172 ( 0.753 -3.860 1.469) 4.198 2.261 ( 1.621 -2.426 2.024) 3.551 2.436 ( -1.614 -3.157 -0.427) 3.571 2.463 ( 1.779 5.610 -1.329) 6.033 2.537 ( -0.346 1.545 -0.706) 1.734 2.567 ( 3.051 -1.082 -3.599) 4.840 2.624 ( 3.825 0.186 4.328) 5.779 2.674 ( -2.548 1.665 1.416) 3.357 2.729 ( 4.207 3.585 -1.605) 5.756 2.751 ( -0.575 0.202 0.857) 1.051 2.845 ( -0.686 0.854 2.367) 2.608 2.872 ( 1.463 0.315 -0.952) 1.773 2.974 ( 2.953 0.784 3.014) 4.291 2.984 ( 0.290 -0.100 -1.112) 1.154 3.039 ( 0.731 0.318 -2.098) 2.244 3.095 ( -1.215 1.382 -1.817) 2.586 3.173 ( -4.473 4.585 -0.451) 6.421 3.199 ( -1.997 -0.329 1.369) 2.443 3.222 ( -0.952 -0.731 -0.856) 1.474 3.284 ( -4.149 -1.165 1.487) 4.559 3.349 ( -1.069 2.063 -0.361) 2.352 3.360 ( -2.406 0.964 -1.623) 3.058 3.441 ( -4.779 6.044 2.898) 8.232 3.512 ( 2.004 0.431 2.596) 3.307 3.554 ( -1.065 0.944 -0.603) 1.545 3.568 ( -2.181 1.788 -1.655) 3.270 3.595 ( -8.106 -2.858 -3.834) 9.412 3.652 ( 1.751 -1.448 0.373) 2.303 3.706 ( -4.002 5.130 -7.047) 9.592 3.760 ( 1.623 -0.726 -2.273) 2.885 3.804 ( -0.500 2.998 4.414) 5.359 3.897 ( -0.264 1.466 -0.460) 1.560 3.952 ( -3.618 1.243 1.436) 4.086 4.029 ( 1.663 -1.215 2.730) 3.420 4.057 ( 0.502 -8.357 0.529) 8.388 4.114 ( 0.296 2.503 -2.234) 3.367 4.170 ( 2.391 -1.842 -0.827) 3.130 4.268 ( 1.250 4.603 -0.796) 4.836 4.349 ( 3.176 -6.924 9.460) 12.146 4.376 ( -0.540 -3.988 4.024) 5.691 4.464 ( -2.704 0.635 -3.206) 4.242 4.575 ( -3.085 -10.571 0.072) 11.013 4.644 ( -1.015 -9.289 -7.770) 12.153 4.678 ( -4.046 -0.568 -0.733) 4.151 4.889 ( -4.348 1.281 -1.403) 4.745 4.909 ( 2.785 -1.044 -2.959) 4.195 5.008 ( 2.470 -8.168 2.868) 9.002 5.052 ( 0.886 -2.055 -4.199) 4.758 5.117 ( 3.798 -2.523 -3.116) 5.523 5.163 ( -1.947 0.563 -2.017) 2.860 5.275 ( 1.423 -3.344 0.486) 3.667 5.320 ( 1.486 -4.321 -3.257) 5.611 5.378 ( 0.940 -4.147 -1.298) 4.446 5.478 ( 3.153 -3.185 -0.856) 4.563 5.585 ( 8.195 4.880 3.445) 10.141 5.686 ( 2.789 7.063 1.102) 7.673 5.778 ( 4.261 4.799 -1.521) 6.595 5.819 ( 3.247 -3.381 2.270) 5.209 5.828 ( 0.586 2.395 1.335) 2.804 5.899 ( 6.203 2.072 0.901) 6.601 5.999 ( 1.205 5.305 -0.286) 5.447 6.042 ( -0.580 7.361 -0.019) 7.384 6.200 ( -0.101 -1.335 -0.393) 1.395 6.217 ( -0.202 0.119 -1.209) 1.231 6.277 ( 3.888 -2.284 0.972) 4.613 6.350 ( -0.466 -4.801 -2.861) 5.608 6.379 ( 7.069 -1.425 3.569) 8.046 6.446 ( -1.145 0.831 1.690) 2.203 6.510 ( 1.624 1.120 0.829) 2.140 6.643 ( 4.031 -1.374 -1.020) 4.379 6.699 ( -3.032 2.776 0.457) 4.136 6.825 ( 6.103 8.277 3.179) 10.764 6.882 ( -0.591 1.656 6.857) 7.079 6.895 ( 4.726 1.627 2.415) 5.551 7.084 ( 3.919 -0.050 3.954) 5.567 7.207 ( 4.146 3.319 3.305) 6.255 7.264 ( -2.148 0.265 0.805) 2.309 7.418 ( -3.481 2.588 -1.582) 4.617 7.444 ( -1.019 -0.706 -3.533) 3.744 7.496 ( -6.158 1.335 -3.239) 7.085 7.519 ( -1.770 -0.635 1.739) 2.561 7.620 ( 3.052 -0.183 -6.445) 7.134 7.702 ( -2.792 1.588 -0.815) 3.314 7.788 ( -2.113 0.789 -2.576) 3.423 7.972 ( -3.836 -2.405 -0.845) 4.606 8.063 ( -4.199 1.977 1.503) 4.878 8.108 ( -1.637 -4.497 -0.462) 4.808 8.172 ( -3.553 1.032 -0.926) 3.813 8.267 ( 0.946 1.423 -1.164) 2.067 8.294 ( -0.318 -0.804 1.160) 1.447 8.328 ( -3.533 3.445 -0.357) 4.947 8.478 ( 1.222 1.933 -1.395) 2.678 8.497 ( 0.725 -3.408 2.762) 4.446 8.563 ( 3.529 1.033 1.935) 4.155 8.654 ( 3.536 3.333 1.353) 5.044 8.703 ( 8.011 7.111 -0.148) 10.712 8.816 ( -5.437 6.329 -1.357) 8.453 8.909 ( 2.740 5.037 -2.884) 6.418 9.051 ( -0.116 -1.089 1.787) 2.095 9.074 ( -2.519 -2.453 2.410) 4.263 9.096 ( -1.927 3.522 -0.110) 4.016 9.111 ( -4.561 -2.869 -2.246) 5.838 9.240 ( -0.914 -0.090 -1.458) 1.723 9.268 ( -1.662 -0.203 2.723) 3.197 9.273 ( -5.668 -1.842 0.612) 5.991 9.331 ( 0.342 0.350 0.356) 0.605 9.404 ( -0.818 -1.292 -0.401) 1.580 9.411 ( -2.125 -4.449 0.213) 4.935 9.465 ( 0.828 -1.536 1.230) 2.135 9.559 ( -1.240 -0.465 -2.115) 2.495 9.620 ( 0.440 -5.085 -0.849) 5.174 9.673 ( -2.904 -1.943 -1.904) 3.979 9.777 ( -3.530 -5.065 -2.343) 6.603 9.804 ( -1.651 -4.417 -3.265) 5.735 9.990 ( 0.889 -1.380 4.075) 4.393 10.082 ( 1.360 -3.830 2.086) 4.568 10.140 ( -1.474 -0.641 -1.395) 2.128 10.260 ( 4.414 -2.654 -3.072) 5.997 10.352 ( 1.595 1.682 -1.178) 2.600 10.385 ( 3.814 0.932 1.669) 4.266 10.486 ( -2.000 5.908 0.480) 6.256 10.602 ( -3.828 3.115 -1.966) 5.313 10.701 ( -2.992 -1.749 4.634) 5.787 10.840 ( -1.632 -3.013 -2.995) 4.551 10.967 ( -1.956 3.344 2.418) 4.566 11.050 ( 0.743 8.570 -4.777) 9.840 11.336 ( -5.402 -11.988 8.860) 15.855 11.591 ( -0.767 -11.975 -10.574) 15.994 11.906 ( 3.179 4.142 -4.799) 7.091 12.006 ( -0.842 1.991 0.130) 2.165 12.518 ( -5.012 4.084 7.110) 9.610 12.676 ( -1.837 2.486 -8.173) 8.739 13.241 ( 6.330 -4.045 0.657) 7.540 13.360 ( 6.231 -7.471 3.972) 10.508 13.472 ( -3.557 1.267 -1.105) 3.934 13.692 ( -3.315 -7.015 -3.685) 8.590 13.829 ( 2.712 7.052 3.631) 8.382 13.943 ( 2.044 1.935 2.389) 3.691 14.256 ( 0.053 2.288 0.074) 2.290 14.324 ( -0.196 1.038 -0.534) 1.183 14.343 ( -2.135 2.733 7.671) 8.418 14.437 ( 2.285 2.042 -4.453) 5.406 14.616 ( -0.024 -4.366 3.007) 5.301 14.642 ( 1.907 -3.113 0.437) 3.677 16.736 ( -3.804 4.881 -1.066) 6.279 16.810 ( -4.037 5.654 0.220) 6.951 16.995 ( -4.003 -1.762 -1.570) 4.647 17.088 ( -7.075 0.970 -0.601) 7.166 17.373 ( -2.442 11.276 2.530) 11.812 17.634 ( 0.800 16.464 -10.330) 19.453 18.135 ( 4.064 -5.763 0.890) 7.108 18.208 ( -3.779 0.549 -0.100) 3.820 18.261 ( -1.371 -2.648 -0.929) 3.123 18.422 ( -0.544 -1.410 2.272) 2.729 18.504 ( -6.646 -5.855 -5.622) 10.490 18.654 ( 0.263 1.751 -2.455) 3.027 18.710 ( 2.149 1.884 0.908) 2.999 18.889 ( -5.129 -4.152 -0.972) 6.671 19.075 ( 1.463 -1.621 -0.081) 2.185 19.146 ( 0.915 -3.483 -0.671) 3.663 19.825 ( 10.361 0.892 7.834) 13.020 19.909 ( 8.367 -4.300 2.019) 9.622 20.186 ( 1.400 -0.859 -0.255) 1.662 20.305 ( 0.445 -4.184 2.762) 5.033 20.464 ( 3.935 7.452 -2.836) 8.891 20.512 ( 3.057 2.701 0.620) 4.126 20.719 ( 6.446 -1.729 8.834) 11.071 20.857 ( 10.230 -3.550 -4.824) 11.855 22.206 ( -1.712 0.862 0.037) 1.917 22.244 ( -2.450 0.348 -0.285) 2.491 22.264 ( -1.737 -0.611 0.010) 1.841 22.281 ( -2.403 -2.047 -0.378) 3.179 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.236 -10.946 -3.389) 11.461 1.105 ( 0.236 10.946 -3.389) 11.461 1.315 ( -1.149 -8.167 1.417) 8.368 1.315 ( -1.149 8.167 1.417) 8.368 1.866 ( 0.337 -1.529 -3.900) 4.203 1.866 ( 0.337 1.529 -3.900) 4.203 2.029 ( 0.915 -1.308 -1.687) 2.323 2.029 ( 0.915 1.308 -1.687) 2.323 2.324 ( 0.146 -1.676 -0.825) 1.874 2.324 ( 0.146 1.676 -0.825) 1.874 2.472 ( 0.322 -0.290 -1.793) 1.845 2.472 ( 0.322 0.290 -1.793) 1.845 2.652 ( 0.250 -3.140 1.565) 3.517 2.652 ( 0.250 3.140 1.565) 3.517 2.730 ( -0.373 -3.207 2.523) 4.097 2.730 ( -0.373 3.207 2.523) 4.097 2.831 ( 1.693 -2.274 -0.414) 2.865 2.831 ( 1.693 2.274 -0.414) 2.865 2.880 ( -0.284 -5.151 2.398) 5.689 2.880 ( -0.284 5.151 2.398) 5.689 2.971 ( -2.496 -1.448 -1.488) 3.246 2.971 ( -2.496 1.448 -1.488) 3.246 3.062 ( -0.970 -1.545 -0.909) 2.038 3.062 ( -0.970 1.545 -0.909) 2.038 3.169 ( 1.249 -3.166 1.868) 3.883 3.169 ( 1.249 3.166 1.868) 3.883 3.202 ( 0.716 -5.108 -0.286) 5.166 3.202 ( 0.716 5.108 -0.286) 5.166 3.314 ( -0.878 -10.603 10.443) 14.908 3.314 ( -0.878 10.603 10.443) 14.908 3.434 ( -1.587 -2.020 2.316) 3.459 3.434 ( -1.587 2.020 2.316) 3.459 3.568 ( -0.545 -3.717 -0.474) 3.786 3.568 ( -0.545 3.717 -0.474) 3.786 3.617 ( 1.779 -6.045 0.125) 6.303 3.617 ( 1.779 6.045 0.125) 6.303 3.708 ( 1.922 -2.252 -4.374) 5.282 3.708 ( 1.922 2.252 -4.374) 5.282 3.829 ( -1.542 -2.336 -1.167) 3.032 3.829 ( -1.542 2.336 -1.167) 3.032 3.993 ( 2.635 -6.810 -3.438) 8.071 3.993 ( 2.635 6.810 -3.438) 8.071 4.093 ( -5.687 -4.145 0.184) 7.040 4.093 ( -5.687 4.145 0.184) 7.040 4.232 ( 2.585 -7.194 3.136) 8.263 4.232 ( 2.585 7.194 3.136) 8.263 4.353 ( -0.152 -4.490 -1.381) 4.700 4.353 ( -0.152 4.490 -1.381) 4.700 4.416 ( 2.552 -4.308 1.698) 5.287 4.416 ( 2.552 4.308 1.698) 5.287 4.498 ( -0.483 -7.202 -7.293) 10.261 4.498 ( -0.483 7.202 -7.293) 10.261 4.878 ( -0.923 -2.805 -2.256) 3.715 4.878 ( -0.923 2.805 -2.256) 3.715 5.028 ( 2.313 -0.568 0.034) 2.382 5.028 ( 2.313 0.568 0.034) 2.382 5.084 ( -1.632 -2.306 -2.815) 3.988 5.084 ( -1.632 2.306 -2.815) 3.988 5.197 ( -2.156 -2.082 1.993) 3.599 5.197 ( -2.156 2.082 1.993) 3.599 5.426 ( 1.686 -1.416 -0.831) 2.353 5.426 ( 1.686 1.416 -0.831) 2.353 5.715 ( -1.773 -2.629 -1.370) 3.455 5.715 ( -1.773 2.629 -1.370) 3.455 5.884 ( 1.529 -1.362 1.562) 2.576 5.884 ( 1.529 1.362 1.562) 2.576 5.942 ( 0.245 -1.193 2.067) 2.399 5.942 ( 0.245 1.193 2.067) 2.399 6.113 ( -0.286 -1.337 -3.536) 3.791 6.113 ( -0.286 1.337 -3.536) 3.791 6.189 ( 0.444 -0.997 -1.629) 1.961 6.189 ( 0.444 0.997 -1.629) 1.961 6.332 ( 1.772 -1.851 1.274) 2.862 6.332 ( 1.772 1.851 1.274) 2.862 6.384 ( -2.229 -1.306 2.528) 3.615 6.384 ( -2.229 1.306 2.528) 3.615 6.634 ( -3.054 -3.083 0.033) 4.340 6.634 ( -3.054 3.083 0.033) 4.340 6.764 ( 0.996 -1.617 4.241) 4.647 6.764 ( 0.996 1.617 4.241) 4.647 7.081 ( 1.458 -1.177 6.239) 6.514 7.081 ( 1.458 1.177 6.239) 6.514 7.240 ( 2.160 -0.643 0.050) 2.254 7.240 ( 2.160 0.643 0.050) 2.254 7.327 ( 0.073 -1.838 -3.067) 3.577 7.327 ( 0.073 1.838 -3.067) 3.577 7.392 ( -2.318 -1.682 0.651) 2.938 7.392 ( -2.318 1.682 0.651) 2.938 7.547 ( -1.087 -2.456 -2.393) 3.597 7.547 ( -1.087 2.456 -2.393) 3.597 7.732 ( 0.069 -0.569 -2.412) 2.479 7.732 ( 0.069 0.569 -2.412) 2.479 8.004 ( 2.083 -4.707 3.853) 6.429 8.004 ( 2.083 4.707 3.853) 6.429 8.070 ( -1.047 -3.072 -3.109) 4.495 8.070 ( -1.047 3.072 -3.109) 4.495 8.320 ( 0.658 -1.381 -0.120) 1.534 8.320 ( 0.658 1.381 -0.120) 1.534 8.393 ( -0.616 -0.907 0.039) 1.098 8.393 ( -0.616 0.907 0.039) 1.098 8.604 ( 3.623 -3.412 6.041) 7.827 8.604 ( 3.623 3.412 6.041) 7.827 8.704 ( -8.553 -0.166 -2.341) 8.869 8.704 ( -8.553 0.166 -2.341) 8.869 8.930 ( 2.854 -0.552 1.939) 3.495 8.930 ( 2.854 0.552 1.939) 3.495 9.032 ( -2.362 -3.195 -2.618) 4.758 9.032 ( -2.362 3.195 -2.618) 4.758 9.100 ( 1.395 -5.692 3.274) 6.713 9.100 ( 1.395 5.692 3.274) 6.713 9.204 ( -0.429 -1.643 -1.123) 2.036 9.204 ( -0.429 1.643 -1.123) 2.036 9.302 ( 0.395 -3.624 1.767) 4.052 9.302 ( 0.395 3.624 1.767) 4.052 9.383 ( 1.611 -2.507 -4.428) 5.338 9.383 ( 1.611 2.507 -4.428) 5.338 9.469 ( 1.346 -1.246 -3.537) 3.985 9.469 ( 1.346 1.246 -3.537) 3.985 9.577 ( -0.807 -1.092 0.844) 1.599 9.577 ( -0.807 1.092 0.844) 1.599 9.672 ( -0.376 -0.982 -0.181) 1.067 9.672 ( -0.376 0.982 -0.181) 1.067 10.057 ( -0.037 -4.340 6.842) 8.102 10.057 ( -0.037 4.340 6.842) 8.102 10.182 ( 1.048 -4.362 -6.027) 7.513 10.182 ( 1.048 4.362 -6.027) 7.513 10.400 ( -0.508 -0.781 -0.231) 0.960 10.400 ( -0.508 0.781 -0.231) 0.960 10.628 ( 0.803 -4.735 1.130) 4.934 10.628 ( 0.803 4.735 1.130) 4.934 10.654 ( -0.831 -7.414 -1.665) 7.644 10.654 ( -0.831 7.414 -1.665) 7.644 11.094 ( -0.357 -6.584 5.222) 8.411 11.094 ( -0.357 6.584 5.222) 8.411 11.259 ( 0.487 -9.176 -6.621) 11.326 11.259 ( 0.487 9.176 -6.621) 11.326 12.007 ( 0.149 -1.191 -1.039) 1.588 12.007 ( 0.149 1.191 -1.039) 1.588 12.620 ( -0.143 -4.017 0.129) 4.022 12.620 ( -0.143 4.017 0.129) 4.022 13.360 ( 1.146 -1.753 1.910) 2.835 13.360 ( 1.146 1.753 1.910) 2.835 13.446 ( -0.766 -4.400 -3.194) 5.491 13.446 ( -0.766 4.400 -3.194) 5.491 13.998 ( 1.227 -1.722 2.482) 3.261 13.998 ( 1.227 1.722 2.482) 3.261 14.288 ( -1.039 -1.198 -0.598) 1.695 14.288 ( -1.039 1.198 -0.598) 1.695 14.436 ( -2.169 -4.469 5.145) 7.152 14.436 ( -2.169 4.469 5.145) 7.152 14.590 ( 1.375 -3.634 -1.576) 4.193 14.590 ( 1.375 3.634 -1.576) 4.193 16.862 ( 1.077 -4.435 0.053) 4.564 16.862 ( 1.077 4.435 0.053) 4.564 16.884 ( -0.612 -4.354 -0.584) 4.435 16.884 ( -0.612 4.354 -0.584) 4.435 17.786 ( 0.254 -8.497 0.665) 8.527 17.786 ( 0.254 8.497 0.665) 8.527 18.138 ( 1.439 -0.435 -0.478) 1.577 18.138 ( 1.439 0.435 -0.478) 1.577 18.261 ( -1.177 -2.893 3.463) 4.664 18.261 ( -1.177 2.893 3.463) 4.664 18.479 ( -2.051 -7.702 -8.338) 11.535 18.479 ( -2.051 7.702 -8.338) 11.535 18.789 ( 0.682 -0.724 0.666) 1.197 18.789 ( 0.682 0.724 0.666) 1.197 19.069 ( 0.548 -0.700 -1.084) 1.402 19.069 ( 0.548 0.700 -1.084) 1.402 19.948 ( 0.698 -1.448 2.024) 2.585 19.948 ( 0.698 1.448 2.024) 2.585 20.228 ( 0.475 -0.646 0.558) 0.977 20.228 ( 0.475 0.646 0.558) 0.977 20.581 ( -1.543 -1.497 0.587) 2.229 20.581 ( -1.543 1.497 0.587) 2.229 20.830 ( 1.029 -4.365 -0.477) 4.510 20.830 ( 1.029 4.365 -0.477) 4.510 22.212 ( -0.007 -0.388 0.080) 0.396 22.212 ( -0.007 0.388 0.080) 0.396 22.238 ( -0.042 -0.306 0.005) 0.309 22.238 ( -0.042 0.306 0.005) 0.309 ======================= Grid point 86 (49/54) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 10.924 -2.756 -1.064) 11.316 1.193 ( 10.924 2.756 -1.064) 11.316 1.513 ( 18.830 -4.935 3.450) 19.769 1.513 ( 18.830 4.935 3.450) 19.769 1.896 ( 4.790 -4.106 -2.527) 6.796 1.896 ( 4.790 4.106 -2.527) 6.796 2.045 ( 1.566 -4.626 -3.927) 6.267 2.045 ( 1.566 4.626 -3.927) 6.267 2.274 ( -4.901 -1.856 0.466) 5.262 2.274 ( -4.901 1.856 0.466) 5.262 2.444 ( -0.794 -4.952 -0.179) 5.019 2.444 ( -0.794 4.952 -0.179) 5.019 2.617 ( -7.115 -1.568 1.723) 7.487 2.617 ( -7.115 1.568 1.723) 7.487 2.709 ( 2.723 -4.000 -0.154) 4.841 2.709 ( 2.723 4.000 -0.154) 4.841 2.785 ( -9.586 -5.086 -0.802) 10.881 2.785 ( -9.586 5.086 -0.802) 10.881 2.827 ( -5.175 -2.464 -1.137) 5.844 2.827 ( -5.175 2.464 -1.137) 5.844 3.005 ( 3.268 -0.511 0.204) 3.314 3.005 ( 3.268 0.511 0.204) 3.314 3.067 ( 1.944 -3.758 2.574) 4.953 3.067 ( 1.944 3.758 2.574) 4.953 3.182 ( 3.624 -0.582 -0.007) 3.670 3.182 ( 3.624 0.582 -0.007) 3.670 3.303 ( 7.105 -3.644 -0.270) 7.990 3.303 ( 7.105 3.644 -0.270) 7.990 3.410 ( 3.601 -4.180 4.079) 6.862 3.410 ( 3.601 4.180 4.079) 6.862 3.465 ( 2.545 -5.397 1.634) 6.186 3.465 ( 2.545 5.397 1.634) 6.186 3.582 ( 3.617 -1.698 2.333) 4.627 3.582 ( 3.617 1.698 2.333) 4.627 3.667 ( 4.273 -4.252 -1.516) 6.216 3.667 ( 4.273 4.252 -1.516) 6.216 3.733 ( 1.786 -2.058 -0.714) 2.817 3.733 ( 1.786 2.058 -0.714) 2.817 3.864 ( 5.156 -7.564 -6.200) 11.056 3.864 ( 5.156 7.564 -6.200) 11.056 3.955 ( 0.412 -2.244 0.579) 2.353 3.955 ( 0.412 2.244 0.579) 2.353 4.093 ( -0.429 -3.171 5.863) 6.679 4.093 ( -0.429 3.171 5.863) 6.679 4.279 ( 0.040 -7.150 -5.573) 9.065 4.279 ( 0.040 7.150 -5.573) 9.065 4.306 ( -0.155 -7.803 3.189) 8.431 4.306 ( -0.155 7.803 3.189) 8.431 4.420 ( -1.204 -5.736 -5.285) 7.891 4.420 ( -1.204 5.736 -5.285) 7.891 4.485 ( 2.014 -7.233 -0.951) 7.568 4.485 ( 2.014 7.233 -0.951) 7.568 4.838 ( -3.822 -2.431 1.055) 4.651 4.838 ( -3.822 2.431 1.055) 4.651 5.006 ( 0.783 -2.464 -2.449) 3.561 5.006 ( 0.783 2.464 -2.449) 3.561 5.130 ( 2.659 -3.915 1.496) 4.963 5.130 ( 2.659 3.915 1.496) 4.963 5.200 ( 0.540 -1.567 3.777) 4.125 5.200 ( 0.540 1.567 3.777) 4.125 5.388 ( -2.814 -1.783 -3.589) 4.897 5.388 ( -2.814 1.783 -3.589) 4.897 5.674 ( -4.339 -4.458 2.806) 6.825 5.674 ( -4.339 4.458 2.806) 6.825 5.840 ( -5.008 -0.978 -1.991) 5.477 5.840 ( -5.008 0.978 -1.991) 5.477 5.929 ( -3.606 -1.828 0.298) 4.054 5.929 ( -3.606 1.828 0.298) 4.054 6.114 ( 0.770 -3.551 -0.659) 3.693 6.114 ( 0.770 3.551 -0.659) 3.693 6.173 ( -1.050 -1.434 -1.368) 2.242 6.173 ( -1.050 1.434 -1.368) 2.242 6.267 ( -3.347 -0.315 0.475) 3.395 6.267 ( -3.347 0.315 0.475) 3.395 6.437 ( -1.130 -4.926 1.507) 5.274 6.437 ( -1.130 4.926 1.507) 5.274 6.536 ( -4.233 -3.356 3.781) 6.594 6.536 ( -4.233 3.356 3.781) 6.594 6.807 ( 0.146 -4.629 1.617) 4.905 6.807 ( 0.146 4.629 1.617) 4.905 6.989 ( -9.921 -2.229 -0.932) 10.211 6.989 ( -9.921 2.229 -0.932) 10.211 7.225 ( -2.247 -5.169 -4.637) 7.299 7.225 ( -2.247 5.169 -4.637) 7.299 7.298 ( -1.830 -3.276 3.789) 5.333 7.298 ( -1.830 3.276 3.789) 5.333 7.465 ( 4.787 -2.115 0.055) 5.234 7.465 ( 4.787 2.115 0.055) 5.234 7.554 ( 3.897 -1.171 1.298) 4.272 7.554 ( 3.897 1.171 1.298) 4.272 7.766 ( 3.080 -1.779 -1.051) 3.709 7.766 ( 3.080 1.779 -1.051) 3.709 8.012 ( -0.169 -2.443 -1.245) 2.747 8.012 ( -0.169 2.443 -1.245) 2.747 8.132 ( 6.448 -1.978 -0.203) 6.747 8.132 ( 6.448 1.978 -0.203) 6.747 8.274 ( -2.911 -1.994 0.005) 3.528 8.274 ( -2.911 1.994 0.005) 3.528 8.403 ( 0.486 -5.446 1.135) 5.584 8.403 ( 0.486 5.446 1.135) 5.584 8.611 ( -1.699 -1.940 -0.037) 2.579 8.611 ( -1.699 1.940 -0.037) 2.579 8.732 ( 2.981 -6.109 4.341) 8.066 8.732 ( 2.981 6.109 4.341) 8.066 8.923 ( -3.997 -4.943 -0.913) 6.422 8.923 ( -3.997 4.943 -0.913) 6.422 8.982 ( 0.534 -4.411 3.836) 5.870 8.982 ( 0.534 4.411 3.836) 5.870 9.094 ( -2.442 -2.746 -1.193) 3.863 9.094 ( -2.442 2.746 -1.193) 3.863 9.240 ( 3.930 -0.828 -2.518) 4.741 9.240 ( 3.930 0.828 -2.518) 4.741 9.344 ( 3.204 -3.162 0.373) 4.517 9.344 ( 3.204 3.162 0.373) 4.517 9.388 ( 1.871 -1.821 -2.294) 3.475 9.388 ( 1.871 1.821 -2.294) 3.475 9.499 ( 3.611 -2.302 -3.155) 5.319 9.499 ( 3.611 2.302 -3.155) 5.319 9.571 ( -0.941 -2.601 2.400) 3.662 9.571 ( -0.941 2.601 2.400) 3.662 9.686 ( 1.941 -2.047 0.197) 2.828 9.686 ( 1.941 2.047 0.197) 2.828 10.070 ( -2.838 -4.173 1.857) 5.377 10.070 ( -2.838 4.173 1.857) 5.377 10.167 ( 2.713 -2.556 -3.728) 5.271 10.167 ( 2.713 2.556 -3.728) 5.271 10.363 ( -3.922 -2.775 1.168) 4.944 10.363 ( -3.922 2.775 1.168) 4.944 10.649 ( 2.297 -5.772 -1.104) 6.309 10.649 ( 2.297 5.772 -1.104) 6.309 10.679 ( 2.382 -4.695 0.755) 5.319 10.679 ( 2.382 4.695 0.755) 5.319 11.142 ( 1.979 -5.916 4.387) 7.627 11.142 ( 1.979 5.916 4.387) 7.627 11.249 ( 2.648 -7.084 -5.015) 9.075 11.249 ( 2.648 7.084 -5.015) 9.075 11.992 ( -1.111 -4.871 -0.682) 5.042 11.992 ( -1.111 4.871 -0.682) 5.042 12.631 ( 0.844 -3.144 0.312) 3.270 12.631 ( 0.844 3.144 0.312) 3.270 13.250 ( -7.997 -3.693 -0.986) 8.863 13.250 ( -7.997 3.693 -0.986) 8.863 13.524 ( 5.328 -4.531 0.146) 6.996 13.524 ( 5.328 4.531 0.146) 6.996 13.995 ( -2.040 -2.458 -1.532) 3.542 13.995 ( -2.040 2.458 -1.532) 3.542 14.285 ( 0.345 -0.844 1.878) 2.088 14.285 ( 0.345 0.844 1.878) 2.088 14.417 ( -2.891 -4.345 4.327) 6.780 14.417 ( -2.891 4.345 4.327) 6.780 14.603 ( 1.249 -4.520 -2.244) 5.198 14.603 ( 1.249 4.520 -2.244) 5.198 16.878 ( 3.905 -6.598 -0.380) 7.676 16.878 ( 3.905 6.598 -0.380) 7.676 16.983 ( 8.149 -7.671 -0.466) 11.201 16.983 ( 8.149 7.671 -0.466) 11.201 17.749 ( -3.971 -5.271 -0.322) 6.607 17.749 ( -3.971 5.271 -0.322) 6.607 18.117 ( -6.292 -11.299 -1.635) 13.036 18.117 ( -6.292 11.299 -1.635) 13.036 18.241 ( 2.114 -3.787 2.077) 4.809 18.241 ( 2.114 3.787 2.077) 4.809 18.499 ( 4.472 -5.099 1.225) 6.892 18.499 ( 4.472 5.099 1.225) 6.892 18.817 ( 2.450 -4.875 -1.429) 5.640 18.817 ( 2.450 4.875 -1.429) 5.640 19.075 ( 0.931 -1.118 -1.123) 1.838 19.075 ( 0.931 1.118 -1.123) 1.838 19.898 ( -5.496 -2.296 -0.475) 5.976 19.898 ( -5.496 2.296 -0.475) 5.976 20.232 ( -0.487 -3.507 -0.667) 3.603 20.232 ( -0.487 3.507 -0.667) 3.603 20.525 ( -5.739 -3.137 3.201) 7.282 20.525 ( -5.739 3.137 3.201) 7.282 20.768 ( -6.529 -3.805 -2.033) 7.826 20.768 ( -6.529 3.805 -2.033) 7.826 22.232 ( 1.749 -1.165 0.056) 2.102 22.232 ( 1.749 1.165 0.056) 2.102 22.256 ( 2.064 -0.880 0.006) 2.244 22.256 ( 2.064 0.880 0.006) 2.244 ======================= Grid point 88 (50/54) ======================= q-point: ( 0.29 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 17.851 -2.261 -0.566) 18.002 1.457 ( 17.851 2.261 -0.566) 18.002 1.886 ( 12.009 -3.285 -0.553) 12.463 1.886 ( 12.009 3.285 -0.553) 12.463 1.983 ( 8.805 -6.843 1.029) 11.199 1.983 ( 8.805 6.843 1.029) 11.199 2.022 ( 1.367 -3.620 -1.889) 4.306 2.022 ( 1.367 3.620 -1.889) 4.306 2.239 ( -1.419 -5.371 3.067) 6.346 2.239 ( -1.419 5.371 3.067) 6.346 2.422 ( -2.887 -4.421 2.932) 6.039 2.422 ( -2.887 4.421 2.932) 6.039 2.491 ( -8.680 -1.323 4.033) 9.662 2.491 ( -8.680 1.323 4.033) 9.662 2.595 ( -4.627 -4.762 -1.735) 6.862 2.595 ( -4.627 4.762 -1.735) 6.862 2.696 ( -4.660 -0.796 -0.250) 4.734 2.696 ( -4.660 0.796 -0.250) 4.734 2.859 ( 6.048 -4.036 -0.083) 7.272 2.859 ( 6.048 4.036 -0.083) 7.272 2.985 ( -2.643 -2.529 -0.480) 3.689 2.985 ( -2.643 2.529 -0.480) 3.689 3.094 ( 0.158 -2.119 -0.676) 2.230 3.094 ( 0.158 2.119 -0.676) 2.230 3.272 ( 2.956 -3.561 1.262) 4.797 3.272 ( 2.956 3.561 1.262) 4.797 3.414 ( 3.655 -3.167 -2.825) 5.601 3.414 ( 3.655 3.167 -2.825) 5.601 3.472 ( 3.721 -3.769 -0.303) 5.305 3.472 ( 3.721 3.769 -0.303) 5.305 3.534 ( 5.053 -2.349 1.558) 5.786 3.534 ( 5.053 2.349 1.558) 5.786 3.602 ( -2.337 -0.334 -3.455) 4.184 3.602 ( -2.337 0.334 -3.455) 4.184 3.719 ( 1.119 -3.312 0.455) 3.526 3.719 ( 1.119 3.312 0.455) 3.526 3.827 ( 6.201 -4.252 -5.242) 9.166 3.827 ( 6.201 4.252 -5.242) 9.166 3.911 ( 3.050 -6.919 4.025) 8.566 3.911 ( 3.050 6.919 4.025) 8.566 4.029 ( 6.818 -4.441 -6.264) 10.269 4.029 ( 6.818 4.441 -6.264) 10.269 4.164 ( 4.618 -8.473 6.178) 11.458 4.164 ( 4.618 8.473 6.178) 11.458 4.223 ( 0.825 -4.011 -5.333) 6.724 4.223 ( 0.825 4.011 -5.333) 6.724 4.309 ( -1.606 -6.599 -0.168) 6.794 4.309 ( -1.606 6.599 -0.168) 6.794 4.434 ( 5.495 -2.302 2.497) 6.460 4.434 ( 5.495 2.302 2.497) 6.460 4.544 ( 4.194 -7.774 2.221) 9.108 4.544 ( 4.194 7.774 2.221) 9.108 4.777 ( -3.175 -5.751 2.530) 7.040 4.777 ( -3.175 5.751 2.530) 7.040 5.011 ( -2.805 -1.647 2.758) 4.265 5.011 ( -2.805 1.647 2.758) 4.265 5.140 ( -0.819 -5.249 -2.691) 5.955 5.140 ( -0.819 5.249 -2.691) 5.955 5.251 ( 1.844 -3.131 3.048) 4.743 5.251 ( 1.844 3.131 3.048) 4.743 5.351 ( 1.093 -3.275 -1.875) 3.929 5.351 ( 1.093 3.275 -1.875) 3.929 5.558 ( -8.131 -7.104 0.428) 10.805 5.558 ( -8.131 7.104 0.428) 10.805 5.730 ( -6.162 -1.253 -0.983) 6.364 5.730 ( -6.162 1.253 -0.983) 6.364 5.832 ( -5.709 -1.062 0.397) 5.820 5.832 ( -5.709 1.062 0.397) 5.820 6.030 ( -7.757 -6.161 -0.621) 9.925 6.030 ( -7.757 6.161 -0.621) 9.925 6.158 ( -1.616 -4.059 -1.423) 4.595 6.158 ( -1.616 4.059 -1.423) 4.595 6.278 ( 1.245 -1.649 0.872) 2.243 6.278 ( 1.245 1.649 0.872) 2.243 6.322 ( -5.845 -3.690 -0.175) 6.915 6.322 ( -5.845 3.690 -0.175) 6.915 6.566 ( 1.398 -3.106 0.781) 3.495 6.566 ( 1.398 3.106 0.781) 3.495 6.778 ( -5.857 -0.423 4.228) 7.236 6.778 ( -5.857 0.423 4.228) 7.236 6.849 ( -1.634 -2.652 -1.347) 3.394 6.849 ( -1.634 2.652 -1.347) 3.394 7.153 ( -2.685 -5.258 -4.388) 7.356 7.153 ( -2.685 5.258 -4.388) 7.356 7.292 ( -0.802 -3.366 4.834) 5.945 7.292 ( -0.802 3.366 4.834) 5.945 7.524 ( 0.780 -2.735 2.910) 4.069 7.524 ( 0.780 2.735 2.910) 4.069 7.644 ( 3.819 -2.280 -1.749) 4.779 7.644 ( 3.819 2.280 -1.749) 4.779 7.778 ( 1.435 -2.519 -3.604) 4.625 7.778 ( 1.435 2.519 -3.604) 4.625 8.061 ( 4.509 -1.892 2.267) 5.390 8.061 ( 4.509 1.892 2.267) 5.390 8.190 ( 0.145 -2.893 2.249) 3.667 8.190 ( 0.145 2.893 2.249) 3.667 8.299 ( 4.150 -0.648 0.072) 4.201 8.299 ( 4.150 0.648 0.072) 4.201 8.414 ( -0.196 -3.054 -0.398) 3.086 8.414 ( -0.196 3.054 -0.398) 3.086 8.589 ( -1.403 -2.518 -1.027) 3.060 8.589 ( -1.403 2.518 -1.027) 3.060 8.669 ( -4.096 -4.761 -6.684) 9.172 8.669 ( -4.096 4.761 -6.684) 9.172 8.889 ( -2.809 -3.920 3.691) 6.073 8.889 ( -2.809 3.920 3.691) 6.073 9.039 ( 0.851 -4.229 -1.125) 4.458 9.039 ( 0.851 4.229 -1.125) 4.458 9.091 ( 0.940 -5.946 9.064) 10.881 9.091 ( 0.940 5.946 9.064) 10.881 9.248 ( 0.081 -2.342 -2.749) 3.612 9.248 ( 0.081 2.342 -2.749) 3.612 9.384 ( 2.141 -3.515 -2.902) 5.036 9.384 ( 2.141 3.515 -2.902) 5.036 9.444 ( 2.816 -3.130 -0.845) 4.294 9.444 ( 2.816 3.130 -0.845) 4.294 9.529 ( 2.818 -1.361 -0.816) 3.234 9.529 ( 2.818 1.361 -0.816) 3.234 9.602 ( 2.280 -4.833 1.725) 5.615 9.602 ( 2.280 4.833 1.725) 5.615 9.738 ( 3.141 -1.155 0.767) 3.433 9.738 ( 3.141 1.155 0.767) 3.433 10.023 ( -0.794 -2.780 -1.710) 3.359 10.023 ( -0.794 2.780 -1.710) 3.359 10.207 ( 1.931 -1.336 -1.752) 2.930 10.207 ( 1.931 1.336 -1.752) 2.930 10.281 ( -5.765 -1.904 2.564) 6.591 10.281 ( -5.765 1.904 2.564) 6.591 10.698 ( 3.255 -6.283 -0.662) 7.107 10.698 ( 3.255 6.283 -0.662) 7.107 10.717 ( 1.396 -5.104 0.077) 5.292 10.717 ( 1.396 5.104 0.077) 5.292 11.203 ( 1.227 -5.808 3.951) 7.131 11.203 ( 1.227 5.808 3.951) 7.131 11.293 ( 5.133 -6.697 -3.537) 9.149 11.293 ( 5.133 6.697 -3.537) 9.149 11.969 ( -0.850 -8.384 0.180) 8.428 11.969 ( -0.850 8.384 0.180) 8.428 12.631 ( -1.228 -4.931 -0.779) 5.141 12.631 ( -1.228 4.931 -0.779) 5.141 13.124 ( -4.608 -4.150 -0.976) 6.278 13.124 ( -4.608 4.150 -0.976) 6.278 13.608 ( 3.398 -3.796 1.889) 5.434 13.608 ( 3.398 3.796 1.889) 5.434 13.919 ( -3.903 -2.923 -3.504) 6.004 13.919 ( -3.903 2.923 -3.504) 6.004 14.308 ( 0.431 -1.492 1.649) 2.265 14.308 ( 0.431 1.492 1.649) 2.265 14.396 ( -2.017 -3.285 3.321) 5.089 14.396 ( -2.017 3.285 3.321) 5.089 14.607 ( 0.899 -4.040 -2.487) 4.828 14.607 ( 0.899 4.040 -2.487) 4.828 16.995 ( 8.004 -7.863 0.724) 11.244 16.995 ( 8.004 7.863 0.724) 11.244 17.133 ( 8.511 -9.383 -1.237) 12.728 17.133 ( 8.511 9.383 -1.237) 12.728 17.663 ( -4.334 -8.431 -0.514) 9.494 17.663 ( -4.334 8.431 -0.514) 9.494 17.961 ( -9.454 -10.827 0.998) 14.408 17.961 ( -9.454 10.827 0.998) 14.408 18.340 ( 6.086 -3.229 1.442) 7.039 18.340 ( 6.086 3.229 1.442) 7.039 18.587 ( 2.752 -3.710 4.362) 6.353 18.587 ( 2.752 3.710 4.362) 6.353 18.845 ( 2.339 -6.213 -4.621) 8.089 18.845 ( 2.339 6.213 -4.621) 8.089 19.092 ( 1.495 -0.672 -0.761) 1.807 19.092 ( 1.495 0.672 -0.761) 1.807 19.792 ( -4.541 -3.158 -1.899) 5.848 19.792 ( -4.541 3.158 -1.899) 5.848 20.202 ( -1.855 -3.932 -1.274) 4.530 20.202 ( -1.855 3.932 -1.274) 4.530 20.426 ( -7.620 -3.222 5.056) 9.696 20.426 ( -7.620 3.222 5.056) 9.696 20.601 ( -8.881 -3.471 -3.333) 10.101 20.601 ( -8.881 3.471 -3.333) 10.101 22.264 ( 1.545 -1.204 0.292) 1.980 22.264 ( 1.545 1.204 0.292) 1.980 22.302 ( 2.616 -0.608 -0.258) 2.698 22.302 ( 2.616 0.608 -0.258) 2.698 ======================= Grid point 90 (51/54) ======================= q-point: ( 0.43 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 10.800 -1.809 -0.970) 10.993 1.753 ( 10.800 1.809 -0.970) 10.994 1.961 ( 4.032 -1.754 -1.274) 4.577 1.961 ( 4.032 1.754 -1.274) 4.577 1.991 ( -0.011 -2.683 -0.210) 2.691 1.991 ( -0.011 2.683 -0.210) 2.691 2.124 ( -3.613 -2.466 3.188) 5.413 2.124 ( -3.613 2.466 3.188) 5.413 2.280 ( -3.804 -3.417 1.181) 5.248 2.280 ( -3.804 3.417 1.181) 5.248 2.390 ( 5.342 -4.180 6.346) 9.289 2.390 ( 5.342 4.180 6.346) 9.289 2.446 ( 2.926 -4.234 0.308) 5.156 2.446 ( 2.926 4.234 0.308) 5.156 2.598 ( 0.140 -1.089 3.281) 3.460 2.598 ( 0.140 1.089 3.281) 3.460 2.656 ( 2.108 -3.019 0.035) 3.683 2.656 ( 2.108 3.019 0.035) 3.683 2.857 ( -3.470 -2.882 -4.680) 6.500 2.857 ( -3.470 2.882 -4.680) 6.500 2.996 ( 1.599 -1.216 2.474) 3.187 2.996 ( 1.599 1.216 2.474) 3.187 3.072 ( -1.499 -1.282 -1.626) 2.556 3.072 ( -1.499 1.282 -1.626) 2.556 3.307 ( 1.705 -2.172 -1.555) 3.169 3.307 ( 1.705 2.172 -1.555) 3.169 3.381 ( -3.322 -2.411 -0.129) 4.107 3.381 ( -3.322 2.411 -0.129) 4.107 3.484 ( -5.187 -2.781 -3.363) 6.778 3.484 ( -5.187 2.781 -3.363) 6.778 3.537 ( 1.181 -3.070 -3.262) 4.632 3.537 ( 1.181 3.070 -3.262) 4.632 3.660 ( 3.974 -3.162 3.333) 6.074 3.660 ( 3.974 3.162 3.333) 6.074 3.738 ( 1.769 -2.708 3.150) 4.515 3.738 ( 1.769 2.708 3.150) 4.515 3.861 ( 0.125 -3.037 -3.778) 4.850 3.861 ( 0.125 3.037 -3.778) 4.850 3.933 ( 1.389 -3.123 -3.344) 4.782 3.933 ( 1.389 3.123 -3.344) 4.782 4.045 ( -3.720 -1.974 -3.174) 5.273 4.045 ( -3.720 1.974 -3.174) 5.273 4.181 ( 2.253 -1.536 -7.569) 8.045 4.181 ( 2.253 1.536 -7.569) 8.045 4.300 ( 7.666 -1.415 1.684) 7.976 4.300 ( 7.666 1.415 1.684) 7.976 4.417 ( 1.008 -5.111 4.260) 6.729 4.417 ( 1.008 5.111 4.260) 6.729 4.567 ( 7.180 -1.302 7.401) 10.393 4.567 ( 7.180 1.302 7.401) 10.393 4.669 ( 7.390 -1.447 2.919) 8.076 4.669 ( 7.390 1.447 2.919) 8.076 4.790 ( 4.971 -2.031 -1.944) 5.711 4.790 ( 4.971 2.031 -1.944) 5.711 4.904 ( -10.349 -1.674 1.600) 10.604 4.904 ( -10.349 1.674 1.600) 10.604 5.084 ( -1.564 -1.165 1.566) 2.501 5.084 ( -1.564 1.165 1.566) 2.501 5.276 ( -2.741 -3.028 2.858) 4.985 5.276 ( -2.741 3.028 2.858) 4.985 5.370 ( 0.651 -3.194 -2.692) 4.228 5.370 ( 0.651 3.194 -2.692) 4.228 5.456 ( -1.373 -3.877 -3.537) 5.424 5.456 ( -1.373 3.877 -3.537) 5.424 5.648 ( -1.114 -0.717 1.324) 1.873 5.648 ( -1.114 0.717 1.324) 1.873 5.749 ( -3.641 -3.410 -0.742) 5.043 5.749 ( -3.641 3.410 -0.742) 5.043 5.903 ( -4.840 -2.436 2.862) 6.128 5.903 ( -4.840 2.436 2.862) 6.128 6.063 ( -5.210 -2.515 -3.504) 6.764 6.063 ( -5.210 2.515 -3.504) 6.764 6.262 ( 0.598 -1.394 0.697) 1.669 6.262 ( 0.598 1.394 0.697) 1.669 6.316 ( 0.134 -1.348 -0.936) 1.647 6.316 ( 0.134 1.348 -0.936) 1.647 6.562 ( -1.042 -1.281 -0.735) 1.807 6.562 ( -1.042 1.281 -0.735) 1.807 6.705 ( -2.994 -1.309 1.095) 3.446 6.705 ( -2.994 1.309 1.095) 3.446 6.892 ( 3.418 -3.050 4.913) 6.717 6.892 ( 3.418 3.050 4.913) 6.717 7.072 ( -3.674 -3.554 -2.939) 5.896 7.072 ( -3.674 3.554 -2.939) 5.896 7.343 ( 2.652 -3.074 4.729) 6.233 7.343 ( 2.652 3.074 4.729) 6.233 7.508 ( -2.955 -2.134 -0.814) 3.735 7.508 ( -2.955 2.134 -0.814) 3.735 7.678 ( 1.614 -3.125 0.770) 3.600 7.678 ( 1.614 3.125 0.770) 3.600 7.802 ( 2.737 -2.217 -4.834) 5.981 7.802 ( 2.737 2.217 -4.834) 5.981 8.133 ( -0.286 -1.640 6.945) 7.142 8.133 ( -0.286 1.640 6.945) 7.142 8.232 ( 2.392 -1.778 2.340) 3.789 8.232 ( 2.392 1.778 2.340) 3.789 8.343 ( -0.794 -2.242 -0.184) 2.386 8.343 ( -0.794 2.242 -0.184) 2.386 8.376 ( -0.145 -4.260 -5.130) 6.670 8.376 ( -0.145 4.260 -5.130) 6.670 8.542 ( -1.769 -1.526 -2.096) 3.139 8.542 ( -1.769 1.526 -2.096) 3.139 8.602 ( 0.555 -2.896 -5.802) 6.508 8.602 ( 0.555 2.896 -5.802) 6.508 8.888 ( 0.416 -5.025 3.680) 6.242 8.888 ( 0.416 5.025 3.680) 6.242 9.017 ( -1.753 -4.704 -2.525) 5.619 9.017 ( -1.753 4.704 -2.525) 5.619 9.138 ( 1.241 -7.061 4.104) 8.261 9.138 ( 1.241 7.061 4.104) 8.261 9.234 ( -2.071 -5.683 0.529) 6.071 9.234 ( -2.071 5.683 0.529) 6.071 9.382 ( -2.242 -2.274 3.675) 4.868 9.382 ( -2.242 2.274 3.675) 4.868 9.494 ( 4.009 -0.739 -1.857) 4.479 9.494 ( 4.009 0.739 -1.857) 4.479 9.563 ( 1.264 -4.476 -2.115) 5.109 9.563 ( 1.264 4.476 -2.115) 5.109 9.655 ( 1.924 -2.093 -0.144) 2.847 9.655 ( 1.924 2.093 -0.144) 2.847 9.792 ( 2.134 -1.378 0.048) 2.540 9.792 ( 2.134 1.378 0.048) 2.540 10.046 ( 4.223 -1.429 -0.829) 4.534 10.046 ( 4.223 1.429 -0.829) 4.534 10.144 ( -6.645 -4.483 -0.135) 8.017 10.144 ( -6.645 4.483 -0.135) 8.017 10.256 ( 0.249 -2.462 1.763) 3.038 10.256 ( 0.249 2.462 1.763) 3.038 10.724 ( 0.002 -2.156 0.080) 2.158 10.724 ( 0.002 2.156 0.080) 2.158 10.749 ( 2.229 -3.062 -1.486) 4.069 10.749 ( 2.229 3.062 -1.486) 4.069 11.223 ( -2.134 -7.735 4.822) 9.362 11.223 ( -2.134 7.735 4.822) 9.362 11.371 ( 5.424 -9.394 -4.177) 11.624 11.371 ( 5.424 9.394 -4.177) 11.624 11.973 ( 0.881 -8.187 0.590) 8.255 11.973 ( 0.881 8.187 0.590) 8.255 12.583 ( -2.369 -5.805 -1.514) 6.450 12.583 ( -2.369 5.805 -1.514) 6.450 13.075 ( -0.694 -2.555 -0.574) 2.709 13.075 ( -0.694 2.555 -0.574) 2.709 13.672 ( 1.788 -2.316 3.533) 4.587 13.672 ( 1.788 2.316 3.533) 4.587 13.831 ( -2.851 -2.408 -3.907) 5.403 13.831 ( -2.851 2.408 -3.907) 5.403 14.315 ( -0.170 -0.855 0.121) 0.880 14.315 ( -0.170 0.855 0.121) 0.880 14.389 ( -1.236 -2.095 3.371) 4.157 14.389 ( -1.236 2.095 3.371) 4.157 14.605 ( 0.535 -2.990 -2.285) 3.801 14.605 ( 0.535 2.990 -2.285) 3.801 17.129 ( 4.730 -8.338 1.855) 9.764 17.129 ( 4.730 8.338 1.855) 9.764 17.239 ( 2.958 -8.204 -2.649) 9.114 17.239 ( 2.958 8.204 -2.649) 9.114 17.638 ( 2.693 -2.003 1.767) 3.793 17.638 ( 2.693 2.003 1.767) 3.793 17.800 ( -8.351 -7.416 0.135) 11.169 17.800 ( -8.351 7.416 0.135) 11.169 18.446 ( 3.789 -1.703 1.573) 4.442 18.446 ( 3.789 1.703 1.573) 4.442 18.653 ( 0.948 -1.695 5.640) 5.965 18.653 ( 0.948 1.695 5.640) 5.965 18.840 ( 1.908 -3.589 -8.025) 8.995 18.840 ( 1.908 3.589 -8.025) 8.995 19.103 ( -0.061 -2.589 -0.971) 2.766 19.103 ( -0.061 2.589 -0.971) 2.766 19.724 ( -2.419 -2.891 -0.163) 3.773 19.724 ( -2.419 2.891 -0.163) 3.773 20.154 ( -2.380 -1.807 -0.685) 3.066 20.154 ( -2.380 1.808 -0.685) 3.066 20.354 ( -2.479 -1.912 4.115) 5.170 20.354 ( -2.479 1.912 4.115) 5.170 20.452 ( -4.281 -3.222 -3.275) 6.280 20.452 ( -4.281 3.222 -3.275) 6.280 22.287 ( 0.664 -0.523 0.354) 0.916 22.287 ( 0.664 0.523 0.354) 0.916 22.334 ( 1.020 -0.378 -0.333) 1.137 22.334 ( 1.020 0.378 -0.333) 1.137 ======================= Grid point 92 (52/54) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -11.516 -1.324 2.152) 11.790 1.723 ( -11.516 1.324 2.152) 11.790 1.873 ( -11.461 -4.302 5.210) 13.304 1.873 ( -11.461 4.302 5.210) 13.304 2.027 ( 2.652 -1.767 -2.076) 3.804 2.027 ( 2.652 1.767 -2.076) 3.804 2.203 ( 3.965 -1.112 -4.033) 5.764 2.203 ( 3.965 1.112 -4.033) 5.764 2.301 ( 10.234 -1.678 -0.660) 10.391 2.301 ( 10.234 1.678 -0.660) 10.391 2.416 ( 2.433 -1.589 -0.592) 2.966 2.416 ( 2.433 1.589 -0.592) 2.966 2.561 ( -2.049 -3.469 -4.371) 5.945 2.561 ( -2.049 3.469 -4.371) 5.945 2.593 ( -0.604 -3.061 2.308) 3.881 2.593 ( -0.604 3.061 2.308) 3.881 2.694 ( -0.250 -2.292 -4.165) 4.761 2.694 ( -0.250 2.292 -4.165) 4.761 2.798 ( 3.208 -1.543 1.728) 3.957 2.798 ( 3.208 1.543 1.728) 3.957 3.002 ( -2.332 -1.664 1.676) 3.319 3.002 ( -2.332 1.664 1.676) 3.319 3.059 ( 1.224 -2.664 -0.598) 2.992 3.059 ( 1.224 2.664 -0.598) 2.992 3.265 ( -6.359 -4.396 1.423) 7.860 3.265 ( -6.359 4.396 1.423) 7.860 3.366 ( -0.658 -4.229 5.351) 6.852 3.366 ( -0.658 4.229 5.351) 6.852 3.423 ( 1.937 -3.288 -1.329) 4.041 3.423 ( 1.937 3.288 -1.329) 4.041 3.516 ( -0.722 -2.314 -0.542) 2.484 3.516 ( -0.722 2.314 -0.542) 2.484 3.723 ( -3.558 -6.670 -1.455) 7.698 3.723 ( -3.558 6.670 -1.455) 7.698 3.750 ( 1.447 -4.135 3.161) 5.402 3.750 ( 1.447 4.135 3.161) 5.402 3.770 ( -9.366 -5.104 2.861) 11.044 3.770 ( -9.366 5.104 2.861) 11.044 3.908 ( 1.896 -2.306 -3.076) 4.287 3.908 ( 1.896 2.306 -3.076) 4.287 4.042 ( 1.633 -6.660 -1.147) 6.952 4.042 ( 1.633 6.660 -1.147) 6.952 4.149 ( -1.482 -3.036 -3.478) 4.848 4.149 ( -1.482 3.036 -3.478) 4.848 4.297 ( -11.053 -3.689 1.269) 11.721 4.297 ( -11.053 3.689 1.269) 11.721 4.434 ( 2.037 -3.028 2.201) 4.262 4.434 ( 2.037 3.028 2.201) 4.262 4.647 ( -7.577 -6.659 -0.187) 10.089 4.647 ( -7.577 6.659 -0.187) 10.089 4.727 ( 2.959 -0.821 -1.212) 3.301 4.727 ( 2.959 0.821 -1.212) 3.301 4.789 ( 1.006 -1.625 -3.399) 3.899 4.789 ( 1.006 1.625 -3.399) 3.899 4.958 ( 12.834 -6.219 -4.572) 14.977 4.958 ( 12.834 6.219 -4.572) 14.977 5.135 ( 0.356 -2.648 -0.941) 2.833 5.135 ( 0.356 2.648 -0.941) 2.833 5.220 ( -1.716 -3.418 6.112) 7.210 5.220 ( -1.716 3.418 6.112) 7.210 5.343 ( 0.032 -1.827 3.531) 3.976 5.343 ( 0.032 1.827 3.531) 3.976 5.445 ( 1.402 -1.545 -5.342) 5.735 5.445 ( 1.402 1.545 -5.342) 5.735 5.640 ( -1.837 -0.767 2.266) 3.016 5.640 ( -1.837 0.767 2.266) 3.016 5.757 ( 6.586 -4.716 -2.810) 8.574 5.757 ( 6.586 4.716 -2.810) 8.574 5.930 ( 2.804 -1.650 4.203) 5.315 5.930 ( 2.804 1.650 4.203) 5.315 6.006 ( 2.752 -0.406 -0.692) 2.867 6.006 ( 2.752 0.406 -0.692) 2.867 6.288 ( 0.286 -0.775 -0.200) 0.850 6.288 ( 0.286 0.775 -0.200) 0.850 6.298 ( 0.220 -1.416 -0.886) 1.684 6.298 ( 0.220 1.416 -0.886) 1.684 6.538 ( -1.627 -0.946 1.689) 2.529 6.538 ( -1.627 0.946 1.689) 2.529 6.702 ( 2.000 -0.465 0.830) 2.215 6.702 ( 2.000 0.465 0.830) 2.215 6.982 ( -3.152 -1.868 -2.996) 4.733 6.982 ( -3.152 1.868 -2.996) 4.733 6.994 ( 3.023 -3.386 4.226) 6.202 6.994 ( 3.023 3.386 4.226) 6.202 7.410 ( 0.073 -1.413 0.242) 1.435 7.410 ( 0.073 1.413 0.242) 1.435 7.460 ( 0.542 -3.999 1.671) 4.368 7.460 ( 0.542 3.999 1.671) 4.368 7.697 ( -1.286 -1.262 0.611) 1.902 7.697 ( -1.286 1.262 0.611) 1.902 7.792 ( 0.254 -1.985 -5.277) 5.644 7.792 ( 0.254 1.985 -5.277) 5.644 8.155 ( -2.966 -2.692 7.050) 8.108 8.155 ( -2.966 2.692 7.050) 8.108 8.261 ( -0.421 -1.476 1.630) 2.239 8.261 ( -0.421 1.476 1.630) 2.239 8.287 ( -1.560 -3.247 -1.655) 3.965 8.287 ( -1.560 3.247 -1.655) 3.965 8.378 ( 1.121 -1.054 -2.542) 2.971 8.378 ( 1.121 1.054 -2.542) 2.971 8.510 ( -1.043 -1.299 0.068) 1.667 8.510 ( -1.043 1.299 0.068) 1.667 8.597 ( 2.589 -2.240 -4.649) 5.774 8.597 ( 2.589 2.240 -4.649) 5.774 8.914 ( -0.636 -3.578 2.459) 4.388 8.914 ( -0.636 3.578 2.459) 4.388 9.009 ( 3.766 -3.883 -2.870) 6.124 9.009 ( 3.766 3.883 -2.870) 6.124 9.165 ( -0.887 -3.032 -0.418) 3.187 9.165 ( -0.887 3.032 -0.418) 3.187 9.224 ( 1.499 -6.100 2.438) 6.738 9.224 ( 1.499 6.100 2.438) 6.738 9.366 ( -2.728 -3.242 5.897) 7.261 9.366 ( -2.728 3.242 5.897) 7.261 9.503 ( -1.910 -6.162 -2.594) 6.953 9.503 ( -1.910 6.162 -2.594) 6.953 9.566 ( -0.794 -3.058 -0.515) 3.201 9.566 ( -0.794 3.058 -0.515) 3.201 9.665 ( 1.398 -2.477 -2.969) 4.111 9.665 ( 1.398 2.477 -2.969) 4.111 9.801 ( -1.127 -2.200 -0.964) 2.653 9.801 ( -1.127 2.200 -0.964) 2.653 10.026 ( -5.761 -3.768 1.075) 6.967 10.026 ( -5.761 3.768 1.075) 6.967 10.137 ( 4.591 -1.747 0.547) 4.943 10.137 ( 4.591 1.747 0.547) 4.943 10.275 ( 1.275 -2.671 0.182) 2.965 10.275 ( 1.275 2.671 0.182) 2.965 10.717 ( -1.024 -4.963 0.402) 5.083 10.717 ( -1.024 4.963 0.402) 5.083 10.761 ( 0.502 -7.405 -2.407) 7.803 10.761 ( 0.502 7.405 -2.407) 7.803 11.192 ( -4.892 -9.502 6.051) 12.282 11.192 ( -4.892 9.502 6.051) 12.282 11.412 ( 2.518 -13.275 -6.291) 14.905 11.412 ( 2.518 13.275 -6.291) 14.905 11.992 ( 1.082 -2.503 -1.284) 3.014 11.992 ( 1.082 2.503 -1.284) 3.014 12.562 ( 0.830 -3.868 0.478) 3.985 12.562 ( 0.830 3.868 0.478) 3.985 13.076 ( 1.084 -1.324 -0.589) 1.809 13.076 ( 1.084 1.324 -0.589) 1.809 13.708 ( -0.995 -2.509 1.747) 3.215 13.708 ( -0.995 2.509 1.747) 3.215 13.783 ( 0.658 -0.671 -1.010) 1.380 13.783 ( 0.658 0.671 -1.010) 1.380 14.313 ( 0.068 -0.297 0.136) 0.334 14.313 ( 0.068 0.297 0.136) 0.334 14.392 ( -0.779 -2.119 3.432) 4.108 14.392 ( -0.779 2.119 3.432) 4.108 14.596 ( -0.140 -2.110 -1.670) 2.695 14.596 ( -0.140 2.110 -1.670) 2.695 17.149 ( -4.634 -1.425 0.635) 4.889 17.149 ( -4.634 1.425 0.635) 4.889 17.209 ( -3.299 -3.216 -0.421) 4.626 17.209 ( -3.299 3.216 -0.421) 4.626 17.658 ( -3.451 -3.648 0.005) 5.022 17.658 ( -3.451 3.648 0.005) 5.022 17.803 ( 10.182 -9.363 -0.374) 13.837 17.803 ( 10.182 9.363 -0.374) 13.837 18.469 ( -2.126 -2.046 -0.646) 3.020 18.469 ( -2.126 2.046 -0.646) 3.020 18.686 ( -1.087 -0.608 5.466) 5.606 18.686 ( -1.087 0.608 5.466) 5.606 18.822 ( 2.394 -2.323 -9.603) 10.166 18.822 ( 2.394 2.323 -9.603) 10.166 19.087 ( -0.976 -0.967 0.587) 1.494 19.087 ( -0.976 0.967 0.587) 1.494 19.691 ( -2.152 -2.273 3.344) 4.580 19.691 ( -2.152 2.273 3.344) 4.580 20.140 ( 1.073 -1.662 0.656) 2.084 20.140 ( 1.073 1.662 0.656) 2.084 20.378 ( 2.296 -2.651 2.755) 4.460 20.378 ( 2.296 2.651 2.755) 4.460 20.441 ( 5.498 -4.166 -3.278) 7.638 20.441 ( 5.498 4.166 -3.278) 7.638 22.289 ( -0.623 -0.302 0.167) 0.712 22.289 ( -0.623 0.302 0.167) 0.712 22.332 ( -1.038 -0.440 -0.169) 1.140 22.332 ( -1.038 0.440 -0.169) 1.140 ======================= Grid point 94 (53/54) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -16.020 -9.130 -0.594) 18.448 1.453 ( -16.020 9.130 -0.594) 18.448 1.747 ( -9.428 -14.017 9.155) 19.214 1.747 ( -9.428 14.017 9.155) 19.214 2.008 ( -3.920 -1.699 -3.373) 5.443 2.008 ( -3.920 1.699 -3.373) 5.443 2.173 ( -3.000 -1.649 -10.243) 10.800 2.173 ( -3.000 1.649 -10.243) 10.800 2.318 ( -3.968 -5.199 -4.278) 7.815 2.318 ( -3.968 5.199 -4.278) 7.815 2.470 ( 2.364 -0.700 -2.135) 3.261 2.470 ( 2.364 0.700 -2.135) 3.261 2.540 ( 1.275 -3.744 -1.306) 4.165 2.540 ( 1.275 3.744 -1.306) 4.165 2.599 ( 8.761 -2.899 -1.120) 9.296 2.599 ( 8.761 2.899 -1.120) 9.296 2.722 ( 4.461 -4.336 -2.332) 6.644 2.722 ( 4.461 4.336 -2.332) 6.644 2.835 ( -3.947 -1.296 1.359) 4.371 2.835 ( -3.947 1.296 1.359) 4.371 2.984 ( 1.849 -1.994 0.366) 2.744 2.984 ( 1.849 1.994 0.366) 2.744 3.095 ( 1.116 -1.945 -0.208) 2.252 3.095 ( 1.116 1.945 -0.208) 2.252 3.166 ( -6.082 -8.931 8.781) 13.923 3.166 ( -6.082 8.931 8.781) 13.923 3.376 ( -2.656 -3.779 5.376) 7.088 3.376 ( -2.656 3.779 5.376) 7.088 3.453 ( -3.286 -0.424 -0.315) 3.328 3.453 ( -3.286 0.424 -0.315) 3.328 3.515 ( -0.288 -3.822 3.179) 4.980 3.515 ( -0.288 3.822 3.179) 4.980 3.583 ( -6.081 -6.254 -0.709) 8.752 3.583 ( -6.081 6.254 -0.709) 8.752 3.656 ( -4.552 -7.172 3.100) 9.042 3.656 ( -4.552 7.172 3.100) 9.042 3.785 ( -3.226 -2.933 -1.763) 4.702 3.785 ( -3.226 2.933 -1.763) 4.702 3.949 ( 3.878 -1.974 0.771) 4.419 3.949 ( 3.878 1.974 0.771) 4.419 3.998 ( -2.855 -5.397 -0.006) 6.105 3.998 ( -2.855 5.397 -0.006) 6.105 4.075 ( -5.428 -2.562 2.608) 6.544 4.075 ( -5.428 2.562 2.608) 6.544 4.198 ( -0.199 -8.264 3.111) 8.832 4.198 ( -0.199 8.264 3.111) 8.832 4.402 ( -3.841 -4.336 -3.593) 6.816 4.402 ( -3.841 4.336 -3.593) 6.816 4.497 ( -6.559 -8.759 -4.432) 11.806 4.497 ( -6.559 8.759 -4.432) 11.806 4.680 ( -2.078 -2.929 -11.179) 11.741 4.680 ( -2.078 2.929 -11.179) 11.741 4.845 ( 6.134 -3.729 -3.562) 8.014 4.845 ( 6.134 3.729 -3.562) 8.014 5.033 ( -4.563 -1.551 1.914) 5.185 5.033 ( -4.563 1.551 1.914) 5.185 5.142 ( 4.804 -5.295 -4.058) 8.221 5.142 ( 4.804 5.295 -4.058) 8.221 5.224 ( -1.730 -3.755 4.586) 6.175 5.224 ( -1.730 3.755 4.586) 6.175 5.388 ( -0.226 -3.660 -3.177) 4.852 5.388 ( -0.226 3.660 -3.177) 4.852 5.515 ( 9.468 -6.485 2.895) 11.836 5.515 ( 9.468 6.485 2.895) 11.836 5.702 ( 6.579 -1.782 2.804) 7.370 5.702 ( 6.579 1.782 2.804) 7.370 5.848 ( 4.097 -3.134 -3.253) 6.098 5.848 ( 4.097 3.134 -3.253) 6.098 6.015 ( 6.212 -3.535 1.993) 7.420 6.015 ( 6.212 3.535 1.993) 7.420 6.135 ( 5.961 -3.874 2.164) 7.431 6.135 ( 5.961 3.874 2.164) 7.431 6.288 ( -0.440 -2.360 0.139) 2.405 6.288 ( -0.440 2.360 0.139) 2.405 6.305 ( 2.825 -5.883 -0.829) 6.578 6.305 ( 2.825 5.883 -0.829) 6.578 6.540 ( -0.152 -2.751 3.546) 4.491 6.540 ( -0.152 2.751 3.546) 4.491 6.774 ( 4.116 -1.201 3.368) 5.452 6.774 ( 4.116 1.201 3.368) 5.452 6.893 ( -3.106 -2.095 -4.058) 5.523 6.893 ( -3.106 2.095 -4.058) 5.523 7.079 ( 3.278 -4.658 3.009) 6.442 7.079 ( 3.278 4.658 3.009) 6.442 7.377 ( -0.318 -3.838 -3.226) 5.023 7.377 ( -0.318 3.838 -3.226) 5.023 7.526 ( 1.625 -4.203 4.031) 6.046 7.526 ( 1.625 4.203 4.031) 6.046 7.632 ( -4.136 -1.939 -1.747) 4.891 7.632 ( -4.136 1.939 -1.747) 4.891 7.760 ( -0.721 -1.140 -2.435) 2.783 7.760 ( -0.721 1.140 -2.435) 2.783 8.080 ( -7.112 -1.144 1.468) 7.351 8.080 ( -7.112 1.144 1.468) 7.351 8.222 ( -2.926 -3.442 -1.509) 4.763 8.222 ( -2.926 3.442 -1.509) 4.763 8.311 ( -0.146 -3.426 0.343) 3.446 8.311 ( -0.146 3.426 0.343) 3.446 8.389 ( 2.548 -0.904 1.261) 2.983 8.389 ( 2.548 0.904 1.261) 2.983 8.508 ( -0.929 -3.108 4.299) 5.386 8.508 ( -0.929 3.108 4.299) 5.386 8.642 ( 5.483 -2.712 -2.578) 6.638 8.642 ( 5.483 2.712 -2.578) 6.638 8.930 ( 1.678 -3.026 0.902) 3.576 8.930 ( 1.678 3.026 0.902) 3.576 9.043 ( 0.680 -3.885 -2.694) 4.776 9.043 ( 0.680 3.885 -2.694) 4.776 9.176 ( 1.866 -1.596 -1.003) 2.652 9.176 ( 1.866 1.596 -1.003) 2.652 9.248 ( -0.781 -5.103 2.493) 5.733 9.248 ( -0.781 5.103 2.493) 5.733 9.354 ( -4.427 -3.648 3.407) 6.672 9.354 ( -4.427 3.648 3.407) 6.672 9.394 ( -4.272 -2.951 -2.595) 5.805 9.394 ( -4.272 2.951 -2.595) 5.805 9.551 ( -0.744 -3.087 -2.594) 4.100 9.551 ( -0.744 3.087 -2.594) 4.100 9.642 ( -1.945 -5.440 -2.429) 6.267 9.642 ( -1.945 5.440 -2.429) 6.267 9.754 ( -2.679 -3.328 -0.913) 4.369 9.754 ( -2.679 3.328 -0.913) 4.369 9.977 ( -0.908 -4.226 2.616) 5.053 9.977 ( -0.908 4.226 2.616) 5.053 10.186 ( 0.467 -0.689 0.510) 0.977 10.186 ( 0.467 0.689 0.510) 0.977 10.319 ( 3.921 -1.387 -0.953) 4.267 10.319 ( 3.921 1.387 -0.953) 4.267 10.683 ( -3.148 -2.805 0.804) 4.292 10.683 ( -3.148 2.805 0.804) 4.292 10.743 ( -0.469 -6.934 -2.826) 7.503 10.743 ( -0.469 6.934 -2.826) 7.503 11.137 ( -5.197 -9.390 6.197) 12.393 11.137 ( -5.197 9.390 6.197) 12.393 11.381 ( -0.700 -13.893 -7.763) 15.930 11.381 ( -0.700 13.893 -7.763) 15.930 11.996 ( 1.000 -2.782 -2.444) 3.835 11.996 ( 1.000 2.782 -2.444) 3.835 12.603 ( 1.859 -4.377 1.924) 5.130 12.603 ( 1.859 4.377 1.924) 5.130 13.119 ( 4.547 -3.270 -0.511) 5.624 13.119 ( 4.547 3.270 -0.511) 5.624 13.649 ( -4.179 -4.871 -2.178) 6.777 13.649 ( -4.179 4.871 -2.178) 6.777 13.845 ( 3.615 -1.965 3.847) 5.633 13.845 ( 3.615 1.965 3.847) 5.633 14.318 ( 0.065 -1.180 0.492) 1.280 14.318 ( 0.065 1.180 0.492) 1.280 14.405 ( -0.161 -3.027 3.335) 4.507 14.405 ( -0.161 3.027 3.335) 4.507 14.583 ( -0.268 -1.638 -0.817) 1.849 14.583 ( -0.268 1.638 -0.817) 1.849 17.011 ( -8.722 -6.149 -0.766) 10.699 17.011 ( -8.722 6.149 -0.766) 10.699 17.114 ( -7.298 -8.467 0.639) 11.196 17.114 ( -7.298 8.467 0.639) 11.196 17.657 ( 2.962 -13.246 0.227) 13.575 17.657 ( 2.962 13.246 0.227) 13.575 17.981 ( 8.898 -11.332 -1.062) 14.447 17.981 ( 8.898 11.332 -1.062) 14.447 18.373 ( -6.316 -3.976 -1.833) 7.685 18.373 ( -6.316 3.976 -1.833) 7.685 18.685 ( -0.770 -1.466 -1.839) 2.475 18.685 ( -0.770 1.466 -1.839) 2.475 18.803 ( 0.444 -6.167 -4.706) 7.770 18.803 ( 0.444 6.167 -4.706) 7.770 19.076 ( -1.035 -0.373 1.155) 1.595 19.076 ( -1.035 0.373 1.155) 1.595 19.719 ( 2.768 -2.366 5.727) 6.786 19.719 ( 2.768 2.366 5.727) 6.786 20.177 ( 1.829 -2.114 1.221) 3.051 20.177 ( 1.829 2.114 1.221) 3.051 20.478 ( 6.112 -2.031 1.266) 6.564 20.478 ( 6.112 2.031 1.266) 6.564 20.568 ( 9.730 -5.476 -1.651) 11.286 20.568 ( 9.730 5.476 -1.651) 11.286 22.268 ( -1.625 -1.154 -0.097) 1.995 22.268 ( -1.625 1.154 -0.097) 1.995 22.298 ( -2.514 -0.357 0.058) 2.540 22.298 ( -2.514 0.357 0.058) 2.540 ======================= Grid point 96 (54/54) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -9.089 -13.274 -2.797) 16.329 1.208 ( -9.089 13.274 -2.797) 16.329 1.519 ( -18.671 -13.282 3.184) 23.133 1.519 ( -18.671 13.282 3.184) 23.133 1.926 ( -2.856 -0.592 -4.519) 5.378 1.926 ( -2.856 0.592 -4.519) 5.378 2.040 ( -0.763 -4.791 -5.002) 6.968 2.040 ( -0.763 4.791 -5.002) 6.968 2.311 ( 1.974 -5.259 -2.447) 6.127 2.311 ( 1.974 5.259 -2.447) 6.127 2.458 ( -0.063 -6.238 -1.916) 6.526 2.458 ( -0.063 6.238 -1.916) 6.526 2.617 ( 5.245 -2.683 2.269) 6.313 2.617 ( 5.245 2.683 2.269) 6.313 2.700 ( -2.171 -6.173 2.513) 7.009 2.700 ( -2.171 6.173 2.513) 7.009 2.769 ( 2.195 -6.447 1.644) 7.006 2.769 ( 2.195 6.447 1.644) 7.006 2.827 ( 8.118 -4.872 -3.053) 9.948 2.827 ( 8.118 4.872 -3.053) 9.948 3.029 ( -0.875 -2.214 -1.125) 2.633 3.029 ( -0.875 2.214 -1.125) 2.633 3.079 ( -0.245 -5.468 2.959) 6.222 3.079 ( -0.245 5.468 2.959) 6.222 3.156 ( -2.498 -0.883 4.534) 5.252 3.156 ( -2.498 0.883 4.534) 5.252 3.274 ( -10.769 -5.587 1.302) 12.201 3.274 ( -10.769 5.587 1.302) 12.201 3.339 ( -4.872 -5.045 3.161) 7.693 3.339 ( -4.872 5.045 3.161) 7.693 3.485 ( -4.023 -2.351 1.764) 4.983 3.485 ( -4.023 2.351 1.764) 4.983 3.547 ( 0.956 -3.819 0.505) 3.969 3.547 ( 0.956 3.819 0.505) 3.969 3.629 ( -2.393 -4.588 2.368) 5.691 3.629 ( -2.393 4.588 2.368) 5.691 3.720 ( -1.027 -5.841 -0.549) 5.956 3.720 ( -1.027 5.841 -0.549) 5.956 3.921 ( -4.683 -1.524 -2.616) 5.576 3.921 ( -4.683 1.524 -2.616) 5.576 3.968 ( -0.748 -1.900 -2.186) 2.991 3.968 ( -0.748 1.900 -2.186) 2.991 4.117 ( 3.109 -7.284 9.179) 12.123 4.117 ( 3.109 7.284 9.179) 12.123 4.242 ( -0.361 -8.813 -5.952) 10.641 4.242 ( -0.361 8.813 -5.952) 10.641 4.303 ( -0.113 -9.153 1.548) 9.284 4.303 ( -0.113 9.153 1.548) 9.284 4.398 ( -1.023 -2.361 -3.458) 4.311 4.398 ( -1.023 2.361 -3.458) 4.311 4.571 ( -1.812 -5.856 -9.251) 11.098 4.571 ( -1.812 5.856 -9.251) 11.098 4.915 ( 1.855 -3.824 -5.302) 6.795 4.915 ( 1.855 3.824 -5.302) 6.795 4.967 ( -0.238 -1.401 2.046) 2.491 4.967 ( -0.238 1.401 2.046) 2.491 5.153 ( -2.345 -5.212 -0.421) 5.731 5.153 ( -2.345 5.212 -0.421) 5.731 5.228 ( -0.653 -2.854 -0.407) 2.955 5.228 ( -0.653 2.854 -0.407) 2.955 5.375 ( 2.507 -4.296 -1.699) 5.256 5.375 ( 2.507 4.296 -1.699) 5.256 5.697 ( 6.105 -4.860 1.727) 7.992 5.697 ( 6.105 4.860 1.727) 7.992 5.821 ( 4.335 -3.139 -1.008) 5.446 5.821 ( 4.335 3.139 -1.008) 5.446 5.892 ( 2.571 -2.533 2.504) 4.393 5.892 ( 2.571 2.533 2.504) 4.393 6.127 ( 3.179 -3.881 -1.247) 5.169 6.127 ( 3.179 3.881 -1.247) 5.169 6.185 ( 1.385 -1.491 -2.031) 2.875 6.185 ( 1.385 1.491 -2.031) 2.875 6.262 ( 0.719 -1.739 0.251) 1.898 6.262 ( 0.719 1.739 0.251) 1.898 6.409 ( 1.980 -3.700 3.468) 5.444 6.409 ( 1.980 3.700 3.468) 5.444 6.579 ( 4.189 -3.958 0.892) 5.831 6.579 ( 4.189 3.958 0.892) 5.831 6.798 ( -4.723 -5.336 2.069) 7.421 6.798 ( -4.723 5.336 2.069) 7.421 6.925 ( 7.663 -0.714 5.203) 9.290 6.925 ( 7.663 0.714 5.203) 9.290 7.163 ( 4.639 -5.110 1.331) 7.028 7.163 ( 4.639 5.110 1.331) 7.028 7.357 ( -0.789 -5.191 -2.080) 5.648 7.357 ( -0.789 5.191 -2.080) 5.648 7.482 ( -5.064 -2.707 -1.523) 5.940 7.482 ( -5.064 2.707 -1.523) 5.940 7.589 ( -1.650 -3.453 -1.725) 4.197 7.589 ( -1.650 3.453 -1.725) 4.197 7.757 ( 0.348 -2.854 0.180) 2.881 7.757 ( 0.348 2.854 0.180) 2.881 7.977 ( -3.377 -3.799 1.846) 5.407 7.977 ( -3.377 3.799 1.846) 5.407 8.146 ( -4.246 -3.519 -2.116) 5.906 8.146 ( -4.246 3.519 -2.116) 5.906 8.293 ( 0.510 -0.874 -0.987) 1.413 8.293 ( 0.510 0.874 -0.987) 1.413 8.418 ( -0.890 -3.236 -0.138) 3.359 8.418 ( -0.890 3.236 -0.138) 3.359 8.535 ( 0.570 -3.185 5.643) 6.505 8.535 ( 0.570 3.185 5.643) 6.505 8.767 ( 7.136 -4.040 0.491) 8.215 8.767 ( 7.136 4.040 0.491) 8.215 8.944 ( -4.584 -3.303 -1.993) 5.991 8.944 ( -4.584 3.303 -1.993) 5.991 9.016 ( 0.054 -0.890 1.631) 1.859 9.016 ( 0.054 0.890 1.631) 1.859 9.116 ( -3.865 -5.367 -2.377) 7.028 9.116 ( -3.865 5.367 -2.377) 7.028 9.248 ( -2.197 -1.569 -2.032) 3.379 9.248 ( -2.197 1.569 -2.032) 3.379 9.283 ( 0.693 -3.491 1.363) 3.811 9.283 ( 0.693 3.491 1.363) 3.811 9.388 ( -0.464 -1.976 1.716) 2.658 9.388 ( -0.464 1.976 1.716) 2.658 9.488 ( -1.433 -4.022 -4.307) 6.065 9.488 ( -1.433 4.022 -4.307) 6.065 9.604 ( -1.678 -4.181 -0.919) 4.598 9.604 ( -1.678 4.181 -0.919) 4.598 9.700 ( -2.223 -2.775 -1.111) 3.725 9.700 ( -2.223 2.775 -1.111) 3.725 10.009 ( 0.762 -2.518 5.803) 6.372 10.009 ( 0.762 2.518 5.803) 6.372 10.186 ( 0.994 -3.571 -2.943) 4.732 10.186 ( 0.994 3.571 -2.943) 4.732 10.381 ( 2.877 -0.870 -0.590) 3.063 10.381 ( 2.877 0.870 -0.590) 3.063 10.633 ( -2.231 -4.389 0.765) 4.982 10.633 ( -2.231 4.389 0.765) 4.982 10.703 ( -2.218 -5.841 -2.225) 6.632 10.703 ( -2.218 5.841 -2.225) 6.632 11.094 ( -3.465 -7.823 5.789) 10.330 11.094 ( -3.465 7.823 5.789) 10.330 11.311 ( -1.038 -11.786 -7.648) 14.088 11.311 ( -1.038 11.786 -7.648) 14.088 12.003 ( 1.093 -3.014 -1.692) 3.625 12.003 ( 1.093 3.014 -1.692) 3.625 12.626 ( -0.238 -5.082 0.717) 5.138 12.626 ( -0.238 5.082 0.717) 5.138 13.235 ( 7.832 -3.147 0.438) 8.452 13.235 ( 7.832 3.147 0.438) 8.452 13.548 ( -5.262 -5.244 -2.352) 7.793 13.548 ( -5.262 5.244 -2.352) 7.793 13.934 ( 3.011 -2.610 4.350) 5.899 13.934 ( 3.011 2.610 4.350) 5.899 14.313 ( -0.795 -1.806 -0.567) 2.053 14.313 ( -0.795 1.806 -0.567) 2.053 14.426 ( -0.248 -3.642 4.018) 5.428 14.426 ( -0.248 3.642 4.018) 5.428 14.580 ( 0.447 -2.084 -0.545) 2.200 14.580 ( 0.447 2.084 -0.545) 2.200 16.878 ( -4.481 -6.330 -0.371) 7.764 16.878 ( -4.481 6.330 -0.371) 7.764 16.978 ( -7.245 -7.306 0.014) 10.289 16.978 ( -7.245 7.306 0.014) 10.289 17.734 ( 4.158 -14.791 1.084) 15.403 17.734 ( 4.158 14.791 1.084) 15.403 18.098 ( 4.275 -8.207 0.117) 9.254 18.098 ( 4.275 8.207 0.117) 9.254 18.268 ( -3.240 -3.250 -0.477) 4.614 18.268 ( -3.240 3.250 -0.477) 4.614 18.611 ( -3.370 -6.168 -9.966) 12.195 18.611 ( -3.370 6.168 -9.966) 12.195 18.785 ( -0.908 -4.395 1.289) 4.669 18.785 ( -0.908 4.395 1.289) 4.669 19.068 ( -0.035 -1.626 -0.255) 1.646 19.068 ( -0.035 1.626 -0.255) 1.646 19.848 ( 6.404 -1.300 4.889) 8.161 19.848 ( 6.404 1.300 4.889) 8.161 20.212 ( 0.986 -3.191 1.161) 3.536 20.212 ( 0.986 3.191 1.161) 3.536 20.567 ( 3.063 -0.915 -0.433) 3.225 20.567 ( 3.063 0.915 -0.433) 3.225 20.740 ( 8.383 -4.928 0.280) 9.728 20.740 ( 8.383 4.928 0.280) 9.728 22.233 ( -1.992 -1.568 -0.077) 2.536 22.233 ( -1.992 1.568 -0.077) 2.536 22.255 ( -1.872 -0.607 0.072) 1.969 22.255 ( -1.872 0.607 0.072) 1.969 =================== 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 3/25200 10.0 1291.585 860.271 999.207 0.000 -17.613 0.000 3/25200 20.0 128.266 93.016 77.330 0.000 -4.419 0.000 3/25200 30.0 42.264 30.273 24.453 0.000 -1.575 0.000 3/25200 40.0 22.046 15.655 12.633 0.000 -0.807 0.000 3/25200 50.0 14.284 10.074 8.165 0.000 -0.505 0.000 3/25200 60.0 10.406 7.301 5.949 0.000 -0.354 0.000 3/25200 70.0 8.138 5.686 4.659 0.000 -0.267 0.000 3/25200 80.0 6.667 4.645 3.824 0.000 -0.212 0.000 3/25200 90.0 5.643 3.924 3.244 0.000 -0.175 0.000 3/25200 100.0 4.891 3.397 2.819 0.000 -0.148 0.000 3/25200 110.0 4.318 2.998 2.495 0.000 -0.129 0.000 3/25200 120.0 3.867 2.685 2.240 0.000 -0.114 0.000 3/25200 130.0 3.503 2.433 2.034 0.000 -0.102 0.000 3/25200 140.0 3.203 2.226 1.864 0.000 -0.093 0.000 3/25200 150.0 2.952 2.054 1.721 0.000 -0.085 0.000 3/25200 160.0 2.738 1.907 1.600 0.000 -0.078 0.000 3/25200 170.0 2.555 1.781 1.495 0.000 -0.073 0.000 3/25200 180.0 2.395 1.671 1.404 0.000 -0.068 0.000 3/25200 190.0 2.255 1.575 1.324 0.000 -0.064 0.000 3/25200 200.0 2.131 1.490 1.253 0.000 -0.060 0.000 3/25200 210.0 2.020 1.414 1.189 0.000 -0.057 0.000 3/25200 220.0 1.921 1.346 1.132 0.000 -0.054 0.000 3/25200 230.0 1.831 1.284 1.081 0.000 -0.052 0.000 3/25200 240.0 1.750 1.228 1.034 0.000 -0.049 0.000 3/25200 250.0 1.676 1.177 0.991 0.000 -0.047 0.000 3/25200 260.0 1.608 1.130 0.951 0.000 -0.045 0.000 3/25200 270.0 1.546 1.087 0.915 0.000 -0.044 0.000 3/25200 280.0 1.488 1.047 0.881 0.000 -0.042 0.000 3/25200 290.0 1.434 1.010 0.850 0.000 -0.040 0.000 3/25200 300.0 1.385 0.976 0.821 0.000 -0.039 0.000 3/25200 310.0 1.339 0.944 0.794 0.000 -0.038 0.000 3/25200 320.0 1.296 0.914 0.769 0.000 -0.037 0.000 3/25200 330.0 1.255 0.886 0.746 0.000 -0.035 0.000 3/25200 340.0 1.217 0.859 0.723 0.000 -0.034 0.000 3/25200 350.0 1.182 0.835 0.703 0.000 -0.033 0.000 3/25200 360.0 1.148 0.811 0.683 0.000 -0.032 0.000 3/25200 370.0 1.117 0.789 0.664 0.000 -0.032 0.000 3/25200 380.0 1.087 0.768 0.647 0.000 -0.031 0.000 3/25200 390.0 1.058 0.748 0.630 0.000 -0.030 0.000 3/25200 400.0 1.031 0.730 0.614 0.000 -0.029 0.000 3/25200 410.0 1.006 0.712 0.599 0.000 -0.028 0.000 3/25200 420.0 0.982 0.695 0.585 0.000 -0.028 0.000 3/25200 430.0 0.959 0.678 0.571 0.000 -0.027 0.000 3/25200 440.0 0.936 0.663 0.558 0.000 -0.026 0.000 3/25200 450.0 0.915 0.648 0.546 0.000 -0.026 0.000 3/25200 460.0 0.895 0.634 0.534 0.000 -0.025 0.000 3/25200 470.0 0.876 0.621 0.522 0.000 -0.025 0.000 3/25200 480.0 0.858 0.608 0.512 0.000 -0.024 0.000 3/25200 490.0 0.840 0.595 0.501 0.000 -0.024 0.000 3/25200 500.0 0.823 0.583 0.491 0.000 -0.023 0.000 3/25200 510.0 0.807 0.572 0.481 0.000 -0.023 0.000 3/25200 520.0 0.791 0.561 0.472 0.000 -0.022 0.000 3/25200 530.0 0.776 0.550 0.463 0.000 -0.022 0.000 3/25200 540.0 0.762 0.540 0.455 0.000 -0.022 0.000 3/25200 550.0 0.748 0.530 0.446 0.000 -0.021 0.000 3/25200 560.0 0.734 0.521 0.439 0.000 -0.021 0.000 3/25200 570.0 0.721 0.512 0.431 0.000 -0.020 0.000 3/25200 580.0 0.709 0.503 0.423 0.000 -0.020 0.000 3/25200 590.0 0.697 0.494 0.416 0.000 -0.020 0.000 3/25200 600.0 0.685 0.486 0.409 0.000 -0.019 0.000 3/25200 610.0 0.674 0.478 0.403 0.000 -0.019 0.000 3/25200 620.0 0.663 0.470 0.396 0.000 -0.019 0.000 3/25200 630.0 0.652 0.463 0.390 0.000 -0.018 0.000 3/25200 640.0 0.642 0.456 0.384 0.000 -0.018 0.000 3/25200 650.0 0.632 0.449 0.378 0.000 -0.018 0.000 3/25200 660.0 0.623 0.442 0.372 0.000 -0.018 0.000 3/25200 670.0 0.613 0.435 0.367 0.000 -0.017 0.000 3/25200 680.0 0.604 0.429 0.361 0.000 -0.017 0.000 3/25200 690.0 0.596 0.423 0.356 0.000 -0.017 0.000 3/25200 700.0 0.587 0.417 0.351 0.000 -0.017 0.000 3/25200 710.0 0.579 0.411 0.346 0.000 -0.016 0.000 3/25200 720.0 0.571 0.405 0.341 0.000 -0.016 0.000 3/25200 730.0 0.563 0.400 0.337 0.000 -0.016 0.000 3/25200 740.0 0.555 0.394 0.332 0.000 -0.016 0.000 3/25200 750.0 0.548 0.389 0.328 0.000 -0.015 0.000 3/25200 760.0 0.541 0.384 0.323 0.000 -0.015 0.000 3/25200 770.0 0.534 0.379 0.319 0.000 -0.015 0.000 3/25200 780.0 0.527 0.374 0.315 0.000 -0.015 0.000 3/25200 790.0 0.520 0.369 0.311 0.000 -0.015 0.000 3/25200 800.0 0.513 0.365 0.307 0.000 -0.015 0.000 3/25200 810.0 0.507 0.360 0.303 0.000 -0.014 0.000 3/25200 820.0 0.501 0.356 0.300 0.000 -0.014 0.000 3/25200 830.0 0.495 0.352 0.296 0.000 -0.014 0.000 3/25200 840.0 0.489 0.347 0.292 0.000 -0.014 0.000 3/25200 850.0 0.483 0.343 0.289 0.000 -0.014 0.000 3/25200 860.0 0.478 0.339 0.286 0.000 -0.014 0.000 3/25200 870.0 0.472 0.335 0.282 0.000 -0.013 0.000 3/25200 880.0 0.467 0.332 0.279 0.000 -0.013 0.000 3/25200 890.0 0.461 0.328 0.276 0.000 -0.013 0.000 3/25200 900.0 0.456 0.324 0.273 0.000 -0.013 0.000 3/25200 910.0 0.451 0.321 0.270 0.000 -0.013 0.000 3/25200 920.0 0.446 0.317 0.267 0.000 -0.013 0.000 3/25200 930.0 0.442 0.314 0.264 0.000 -0.012 0.000 3/25200 940.0 0.437 0.310 0.261 0.000 -0.012 0.000 3/25200 950.0 0.432 0.307 0.259 0.000 -0.012 0.000 3/25200 960.0 0.428 0.304 0.256 0.000 -0.012 0.000 3/25200 970.0 0.423 0.301 0.253 0.000 -0.012 0.000 3/25200 980.0 0.419 0.298 0.251 0.000 -0.012 0.000 3/25200 990.0 0.415 0.295 0.248 0.000 -0.012 0.000 3/25200 1000.0 0.411 0.292 0.246 0.000 -0.012 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m745.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:13:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|