----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:55:48]------------------------- 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 5.657516530408179 0.000000000000000 0.000000000000000 b 0.000000000000000 8.520154379999997 0.000000000000000 c -5.613781624317554 0.000000000000000 13.350766056321701 Atomic positions (fractional): *1 Ba 0.00046407269757 0.65316856947469 0.78579959128093 137.327 2 Ba 0.99953592730243 0.15316856947469 0.71420040871907 137.327 3 Ba 0.99953592730243 0.34683143052531 0.21420040871907 137.327 4 Ba 0.00046407269757 0.84683143052531 0.28579959128093 137.327 *5 Zn 0.71953663651019 0.14898610266180 0.38699540961298 65.380 6 Zn 0.28046336348981 0.64898610266180 0.11300459038702 65.380 7 Zn 0.71953663651019 0.35101389733820 0.88699540961298 65.380 8 Zn 0.28046336348981 0.85101389733820 0.61300459038702 65.380 *9 As 0.40804719940023 0.03301508133943 0.15739143502852 74.922 *10 As 0.65798668641616 0.68385478224931 0.98724205802585 74.922 11 As 0.59195280059977 0.53301508133943 0.34260856497148 74.922 12 As 0.40804719940023 0.46698491866057 0.65739143502852 74.922 13 As 0.34201331358384 0.18385478224931 0.51275794197415 74.922 14 As 0.65798668641616 0.81614521775069 0.48724205802586 74.922 15 As 0.59195280059977 0.96698491866057 0.84260856497148 74.922 16 As 0.34201331358384 0.31614521775069 0.01275794197415 74.922 *17 O 0.32685705940470 0.38739501022243 0.53619330406347 15.999 *18 O 0.32074128284066 0.62171069419753 0.26420355807242 15.999 19 O 0.67314294059530 0.88739501022243 0.96380669593653 15.999 *20 O 0.90887556295314 0.83750303202179 0.59763447639500 15.999 *21 O 0.83857529009810 0.55953486639299 0.30922334893350 15.999 *22 O 0.36202859586474 0.85081646864809 0.48471673142207 15.999 *23 O 0.30560312927956 0.40873344118284 0.10985834628099 15.999 24 O 0.67925871715934 0.12171069419753 0.23579644192758 15.999 25 O 0.09112443704686 0.33750303202179 0.90236552360500 15.999 26 O 0.63797140413526 0.35081646864809 0.01528326857793 15.999 27 O 0.69439687072044 0.59126655881716 0.89014165371901 15.999 28 O 0.16142470990190 0.44046513360701 0.69077665106650 15.999 29 O 0.09112443704686 0.16249696797821 0.40236552360500 15.999 30 O 0.32685705940470 0.11260498977757 0.03619330406347 15.999 31 O 0.67314294059530 0.61260498977757 0.46380669593653 15.999 *32 O 0.51361755277625 0.34487754564596 0.35136480337979 15.999 33 O 0.51361755277625 0.15512245435404 0.85136480337979 15.999 34 O 0.67925871715934 0.37828930580247 0.73579644192758 15.999 35 O 0.48638244722375 0.84487754564596 0.14863519662021 15.999 36 O 0.83857529009810 0.94046513360701 0.80922334893350 15.999 37 O 0.48638244722375 0.65512245435404 0.64863519662021 15.999 38 O 0.16142470990190 0.05953486639299 0.19077665106650 15.999 39 O 0.30560312927956 0.09126655881716 0.60985834628099 15.999 40 O 0.69439687072044 0.90873344118284 0.39014165371901 15.999 41 O 0.36202859586474 0.64918353135191 0.98471673142207 15.999 42 O 0.32074128284066 0.87828930580247 0.76420355807242 15.999 43 O 0.90887556295314 0.66249696797821 0.09763447639500 15.999 44 O 0.63797140413526 0.14918353135191 0.51528326857793 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.657516530408179 0.000000000000000 0.000000000000000 b 0.000000000000000 8.520154379999997 0.000000000000000 c -5.613781624317554 0.000000000000000 13.350766056321701 Atomic positions (fractional): *1 Ba 0.00046407269757 0.65316856947469 0.78579959128093 137.327 > 1 2 Ba 0.99953592730243 0.15316856947469 0.71420040871907 137.327 > 2 3 Ba 0.99953592730243 0.34683143052531 0.21420040871907 137.327 > 3 4 Ba 0.00046407269757 0.84683143052531 0.28579959128093 137.327 > 4 *5 Zn 0.71953663651019 0.14898610266180 0.38699540961298 65.380 > 5 6 Zn 0.28046336348981 0.64898610266180 0.11300459038702 65.380 > 6 7 Zn 0.71953663651019 0.35101389733820 0.88699540961298 65.380 > 7 8 Zn 0.28046336348981 0.85101389733820 0.61300459038702 65.380 > 8 *9 As 0.40804719940023 0.03301508133943 0.15739143502852 74.922 > 9 *10 As 0.65798668641616 0.68385478224931 0.98724205802585 74.922 > 10 11 As 0.59195280059977 0.53301508133943 0.34260856497148 74.922 > 11 12 As 0.40804719940023 0.46698491866057 0.65739143502852 74.922 > 12 13 As 0.34201331358384 0.18385478224931 0.51275794197415 74.922 > 13 14 As 0.65798668641616 0.81614521775069 0.48724205802586 74.922 > 14 15 As 0.59195280059977 0.96698491866057 0.84260856497148 74.922 > 15 16 As 0.34201331358384 0.31614521775069 0.01275794197415 74.922 > 16 *17 O 0.32685705940470 0.38739501022243 0.53619330406347 15.999 > 17 *18 O 0.32074128284066 0.62171069419753 0.26420355807242 15.999 > 18 19 O 0.67314294059530 0.88739501022243 0.96380669593653 15.999 > 19 *20 O 0.90887556295314 0.83750303202179 0.59763447639500 15.999 > 20 *21 O 0.83857529009810 0.55953486639299 0.30922334893350 15.999 > 21 *22 O 0.36202859586474 0.85081646864809 0.48471673142207 15.999 > 22 *23 O 0.30560312927956 0.40873344118284 0.10985834628099 15.999 > 23 24 O 0.67925871715934 0.12171069419753 0.23579644192758 15.999 > 24 25 O 0.09112443704686 0.33750303202179 0.90236552360500 15.999 > 25 26 O 0.63797140413526 0.35081646864809 0.01528326857793 15.999 > 26 27 O 0.69439687072044 0.59126655881716 0.89014165371901 15.999 > 27 28 O 0.16142470990190 0.44046513360701 0.69077665106650 15.999 > 28 29 O 0.09112443704686 0.16249696797821 0.40236552360500 15.999 > 29 30 O 0.32685705940470 0.11260498977757 0.03619330406347 15.999 > 30 31 O 0.67314294059530 0.61260498977757 0.46380669593653 15.999 > 31 *32 O 0.51361755277625 0.34487754564596 0.35136480337979 15.999 > 32 33 O 0.51361755277625 0.15512245435404 0.85136480337979 15.999 > 33 34 O 0.67925871715934 0.37828930580247 0.73579644192758 15.999 > 34 35 O 0.48638244722375 0.84487754564596 0.14863519662021 15.999 > 35 36 O 0.83857529009810 0.94046513360701 0.80922334893350 15.999 > 36 37 O 0.48638244722375 0.65512245435404 0.64863519662021 15.999 > 37 38 O 0.16142470990190 0.05953486639299 0.19077665106650 15.999 > 38 39 O 0.30560312927956 0.09126655881716 0.60985834628099 15.999 > 39 40 O 0.69439687072044 0.90873344118284 0.39014165371901 15.999 > 40 41 O 0.36202859586474 0.64918353135191 0.98471673142207 15.999 > 41 42 O 0.32074128284066 0.87828930580247 0.76420355807242 15.999 > 42 43 O 0.90887556295314 0.66249696797821 0.09763447639500 15.999 > 43 44 O 0.63797140413526 0.14918353135191 0.51528326857793 15.999 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.315033060816358 0.000000000000000 0.000000000000000 b 0.000000000000000 8.520154379999997 0.000000000000000 c -5.613781624317554 0.000000000000000 13.350766056321701 Atomic positions (fractional): *1 Ba 0.00023203634878 0.65316856947469 0.78579959128093 137.327 > 1 2 Ba 0.50023203634878 0.65316856947469 0.78579959128093 137.327 > 1 3 Ba 0.49976796365122 0.15316856947469 0.71420040871907 137.327 > 2 4 Ba 0.99976796365122 0.15316856947469 0.71420040871907 137.327 > 2 5 Ba 0.49976796365122 0.34683143052531 0.21420040871907 137.327 > 3 6 Ba 0.99976796365122 0.34683143052531 0.21420040871907 137.327 > 3 7 Ba 0.00023203634878 0.84683143052531 0.28579959128093 137.327 > 4 8 Ba 0.50023203634878 0.84683143052531 0.28579959128093 137.327 > 4 *9 Zn 0.35976831825510 0.14898610266180 0.38699540961298 65.380 > 5 10 Zn 0.85976831825510 0.14898610266180 0.38699540961298 65.380 > 5 11 Zn 0.14023168174490 0.64898610266180 0.11300459038702 65.380 > 6 12 Zn 0.64023168174490 0.64898610266180 0.11300459038702 65.380 > 6 13 Zn 0.35976831825510 0.35101389733820 0.88699540961298 65.380 > 7 14 Zn 0.85976831825510 0.35101389733820 0.88699540961298 65.380 > 7 15 Zn 0.14023168174490 0.85101389733820 0.61300459038702 65.380 > 8 16 Zn 0.64023168174490 0.85101389733820 0.61300459038702 65.380 > 8 *17 As 0.20402359970011 0.03301508133943 0.15739143502852 74.922 > 9 18 As 0.70402359970011 0.03301508133943 0.15739143502852 74.922 > 9 *19 As 0.32899334320808 0.68385478224931 0.98724205802585 74.922 > 10 20 As 0.82899334320808 0.68385478224931 0.98724205802585 74.922 > 10 21 As 0.29597640029989 0.53301508133943 0.34260856497148 74.922 > 11 22 As 0.79597640029989 0.53301508133943 0.34260856497148 74.922 > 11 23 As 0.20402359970011 0.46698491866057 0.65739143502852 74.922 > 12 24 As 0.70402359970011 0.46698491866057 0.65739143502852 74.922 > 12 25 As 0.17100665679192 0.18385478224931 0.51275794197415 74.922 > 13 26 As 0.67100665679192 0.18385478224931 0.51275794197415 74.922 > 13 27 As 0.32899334320808 0.81614521775069 0.48724205802586 74.922 > 14 28 As 0.82899334320808 0.81614521775069 0.48724205802586 74.922 > 14 29 As 0.29597640029989 0.96698491866057 0.84260856497148 74.922 > 15 30 As 0.79597640029989 0.96698491866057 0.84260856497148 74.922 > 15 31 As 0.17100665679192 0.31614521775069 0.01275794197415 74.922 > 16 32 As 0.67100665679192 0.31614521775069 0.01275794197415 74.922 > 16 *33 O 0.16342852970235 0.38739501022243 0.53619330406347 15.999 > 17 34 O 0.66342852970235 0.38739501022243 0.53619330406347 15.999 > 17 *35 O 0.16037064142033 0.62171069419753 0.26420355807242 15.999 > 18 36 O 0.66037064142033 0.62171069419753 0.26420355807242 15.999 > 18 37 O 0.33657147029765 0.88739501022243 0.96380669593653 15.999 > 19 38 O 0.83657147029765 0.88739501022243 0.96380669593653 15.999 > 19 *39 O 0.45443778147657 0.83750303202179 0.59763447639500 15.999 > 20 40 O 0.95443778147657 0.83750303202179 0.59763447639500 15.999 > 20 *41 O 0.41928764504905 0.55953486639299 0.30922334893350 15.999 > 21 42 O 0.91928764504905 0.55953486639299 0.30922334893350 15.999 > 21 *43 O 0.18101429793237 0.85081646864809 0.48471673142207 15.999 > 22 44 O 0.68101429793237 0.85081646864809 0.48471673142207 15.999 > 22 *45 O 0.15280156463978 0.40873344118284 0.10985834628099 15.999 > 23 46 O 0.65280156463978 0.40873344118284 0.10985834628099 15.999 > 23 47 O 0.33962935857967 0.12171069419753 0.23579644192758 15.999 > 24 48 O 0.83962935857967 0.12171069419753 0.23579644192758 15.999 > 24 49 O 0.04556221852343 0.33750303202179 0.90236552360500 15.999 > 25 50 O 0.54556221852343 0.33750303202179 0.90236552360500 15.999 > 25 51 O 0.31898570206763 0.35081646864809 0.01528326857793 15.999 > 26 52 O 0.81898570206763 0.35081646864809 0.01528326857793 15.999 > 26 53 O 0.34719843536022 0.59126655881716 0.89014165371901 15.999 > 27 54 O 0.84719843536022 0.59126655881716 0.89014165371901 15.999 > 27 55 O 0.08071235495095 0.44046513360701 0.69077665106650 15.999 > 28 56 O 0.58071235495095 0.44046513360701 0.69077665106650 15.999 > 28 57 O 0.04556221852343 0.16249696797821 0.40236552360500 15.999 > 29 58 O 0.54556221852343 0.16249696797821 0.40236552360500 15.999 > 29 59 O 0.16342852970235 0.11260498977757 0.03619330406347 15.999 > 30 60 O 0.66342852970235 0.11260498977757 0.03619330406347 15.999 > 30 61 O 0.33657147029765 0.61260498977757 0.46380669593653 15.999 > 31 62 O 0.83657147029765 0.61260498977757 0.46380669593653 15.999 > 31 *63 O 0.25680877638812 0.34487754564596 0.35136480337979 15.999 > 32 64 O 0.75680877638812 0.34487754564596 0.35136480337979 15.999 > 32 65 O 0.25680877638812 0.15512245435404 0.85136480337979 15.999 > 33 66 O 0.75680877638812 0.15512245435404 0.85136480337979 15.999 > 33 67 O 0.33962935857967 0.37828930580247 0.73579644192758 15.999 > 34 68 O 0.83962935857967 0.37828930580247 0.73579644192758 15.999 > 34 69 O 0.24319122361188 0.84487754564596 0.14863519662021 15.999 > 35 70 O 0.74319122361188 0.84487754564596 0.14863519662021 15.999 > 35 71 O 0.41928764504905 0.94046513360701 0.80922334893350 15.999 > 36 72 O 0.91928764504905 0.94046513360701 0.80922334893350 15.999 > 36 73 O 0.24319122361188 0.65512245435404 0.64863519662021 15.999 > 37 74 O 0.74319122361188 0.65512245435404 0.64863519662021 15.999 > 37 75 O 0.08071235495095 0.05953486639299 0.19077665106650 15.999 > 38 76 O 0.58071235495095 0.05953486639299 0.19077665106650 15.999 > 38 77 O 0.15280156463978 0.09126655881716 0.60985834628099 15.999 > 39 78 O 0.65280156463978 0.09126655881716 0.60985834628099 15.999 > 39 79 O 0.34719843536022 0.90873344118284 0.39014165371901 15.999 > 40 80 O 0.84719843536022 0.90873344118284 0.39014165371901 15.999 > 40 81 O 0.18101429793237 0.64918353135191 0.98471673142207 15.999 > 41 82 O 0.68101429793237 0.64918353135191 0.98471673142207 15.999 > 41 83 O 0.16037064142033 0.87828930580247 0.76420355807242 15.999 > 42 84 O 0.66037064142033 0.87828930580247 0.76420355807242 15.999 > 42 85 O 0.45443778147657 0.66249696797821 0.09763447639500 15.999 > 43 86 O 0.95443778147657 0.66249696797821 0.09763447639500 15.999 > 43 87 O 0.31898570206763 0.14918353135191 0.51528326857793 15.999 > 44 88 O 0.81898570206763 0.14918353135191 0.51528326857793 15.999 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3467158 0.0000000 -0.0262413 0.0000000 3.4181045 0.0000000 -0.0261875 0.0000000 3.3133440 -------------------------- Born effective charges -------------------------- 1 Ba 2.9876281 -0.1406639 -0.0046163 0.0849906 2.7214228 0.0789777 -0.0650459 -0.1294902 2.6100278 2 Ba 2.9876281 0.1406639 -0.0046163 -0.0849906 2.7214228 -0.0789777 -0.0650459 0.1294902 2.6100278 3 Ba 2.9876281 -0.1406639 -0.0046163 0.0849906 2.7214228 0.0789777 -0.0650459 -0.1294902 2.6100278 4 Ba 2.9876281 0.1406639 -0.0046163 -0.0849906 2.7214228 -0.0789777 -0.0650459 0.1294902 2.6100278 5 Zn 2.2656973 -0.0199554 -0.3673464 -0.2810917 2.4975359 -0.1272246 -0.0258253 -0.2570940 2.2883160 6 Zn 2.2656973 0.0199554 -0.3673464 0.2810917 2.4975359 0.1272246 -0.0258253 0.2570940 2.2883160 7 Zn 2.2656973 0.0199554 -0.3673464 0.2810917 2.4975359 0.1272246 -0.0258253 0.2570940 2.2883160 8 Zn 2.2656973 -0.0199554 -0.3673464 -0.2810917 2.4975359 -0.1272246 -0.0258253 -0.2570940 2.2883160 9 As 3.1520831 -0.0075015 -0.0004356 -0.1180547 3.7003940 -0.7680173 0.0458524 0.0719994 3.5000722 10 As 3.4157222 0.2231190 0.2120200 -0.0091938 3.8250554 0.2527120 -0.2859273 -0.8673792 3.3035536 11 As 3.1520831 0.0075015 -0.0004356 0.1180547 3.7003940 0.7680173 0.0458524 -0.0719994 3.5000722 12 As 3.1520831 0.0075015 -0.0004356 0.1180547 3.7003940 0.7680173 0.0458524 -0.0719994 3.5000722 13 As 3.4157222 -0.2231190 0.2120200 0.0091938 3.8250554 -0.2527120 -0.2859273 0.8673792 3.3035536 14 As 3.4157222 -0.2231190 0.2120200 0.0091938 3.8250554 -0.2527120 -0.2859273 0.8673792 3.3035536 15 As 3.1520831 -0.0075015 -0.0004356 -0.1180547 3.7003940 -0.7680173 0.0458524 0.0719994 3.5000722 16 As 3.4157222 0.2231190 0.2120200 -0.0091938 3.8250554 0.2527120 -0.2859273 -0.8673792 3.3035536 17 O -0.9213781 0.2211586 0.1607747 0.2639348 -2.3988699 -0.9874463 0.2371073 -1.0922315 -2.0044368 18 O -1.7224471 0.3019648 -0.3380609 0.2482299 -1.7134725 0.1636856 -0.3854113 0.2547993 -1.9531171 19 O -0.9213781 -0.2211586 0.1607747 -0.2639348 -2.3988699 0.9874463 0.2371073 1.0922315 -2.0044368 20 O -1.8982650 -0.0477242 -0.5059572 -0.1283920 -1.2704676 -0.0036471 -0.5947912 -0.1173026 -2.0308673 21 O -2.1461314 -0.1059169 0.4306676 -0.0315057 -1.6611067 -0.1423683 0.3999062 -0.0185216 -1.2304447 22 O -2.2171642 0.2709071 0.0663610 0.1765881 -1.3298714 0.1170506 0.3192858 -0.1313120 -1.5677796 23 O -1.5649850 0.1543096 0.4517450 0.2668794 -1.8374745 -0.4148669 0.4820532 -0.1257113 -1.6752776 24 O -1.7224471 -0.3019648 -0.3380609 -0.2482299 -1.7134725 -0.1636856 -0.3854113 -0.2547993 -1.9531171 25 O -1.8982650 0.0477242 -0.5059572 0.1283920 -1.2704676 0.0036471 -0.5947912 0.1173026 -2.0308673 26 O -2.2171642 -0.2709071 0.0663610 -0.1765881 -1.3298714 -0.1170506 0.3192858 0.1313120 -1.5677796 27 O -1.5649850 0.1543096 0.4517450 0.2668794 -1.8374745 -0.4148669 0.4820532 -0.1257113 -1.6752776 28 O -2.1461314 -0.1059169 0.4306676 -0.0315057 -1.6611067 -0.1423683 0.3999062 -0.0185216 -1.2304447 29 O -1.8982650 -0.0477242 -0.5059572 -0.1283920 -1.2704676 -0.0036471 -0.5947912 -0.1173026 -2.0308673 30 O -0.9213781 -0.2211586 0.1607747 -0.2639348 -2.3988699 0.9874463 0.2371073 1.0922315 -2.0044368 31 O -0.9213781 0.2211586 0.1607747 0.2639348 -2.3988699 -0.9874463 0.2371073 -1.0922315 -2.0044368 32 O -1.3507599 -0.1291221 -0.1051518 -0.1445118 -2.5331455 0.1367685 -0.1272040 0.3452082 -1.2400466 33 O -1.3507599 0.1291221 -0.1051518 0.1445118 -2.5331455 -0.1367685 -0.1272040 -0.3452082 -1.2400466 34 O -1.7224471 0.3019648 -0.3380609 0.2482299 -1.7134725 0.1636856 -0.3854113 0.2547993 -1.9531171 35 O -1.3507599 0.1291221 -0.1051518 0.1445118 -2.5331455 -0.1367685 -0.1272040 -0.3452082 -1.2400466 36 O -2.1461314 0.1059169 0.4306676 0.0315057 -1.6611067 0.1423683 0.3999062 0.0185216 -1.2304447 37 O -1.3507599 -0.1291221 -0.1051518 -0.1445118 -2.5331455 0.1367685 -0.1272040 0.3452082 -1.2400466 38 O -2.1461314 0.1059169 0.4306676 0.0315057 -1.6611067 0.1423683 0.3999062 0.0185216 -1.2304447 39 O -1.5649850 -0.1543096 0.4517450 -0.2668794 -1.8374745 0.4148669 0.4820532 0.1257113 -1.6752776 40 O -1.5649850 -0.1543096 0.4517450 -0.2668794 -1.8374745 0.4148669 0.4820532 0.1257113 -1.6752776 41 O -2.2171642 -0.2709071 0.0663610 -0.1765881 -1.3298714 -0.1170506 0.3192858 0.1313120 -1.5677796 42 O -1.7224471 -0.3019648 -0.3380609 -0.2482299 -1.7134725 -0.1636856 -0.3854113 -0.2547993 -1.9531171 43 O -1.8982650 0.0477242 -0.5059572 0.1283920 -1.2704676 0.0036471 -0.5947912 0.1173026 -2.0308673 44 O -2.2171642 0.2709071 0.0663610 0.1765881 -1.3298714 0.1170506 0.3192858 -0.1313120 -1.5677796 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 448 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 448 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 20), data: (968, 42) @ (42, 20) |-- (468, 448), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 20), data: (968, 42) @ (42, 20) |-- (468, 448), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1360 - Time: 1.093 Solver_block: 200 / 1360 - Time: 1.322 Solver_block: 300 / 1360 - Time: 0.863 Solver_block: 400 / 1360 - Time: 1.159 Solver_block: 500 / 1360 - Time: 0.871 Solver_block: 600 / 1360 - Time: 1.158 Solver_block: 700 / 1360 - Time: 0.872 Solver_block: 800 / 1360 - Time: 1.495 Solver_block: 900 / 1360 - Time: 0.928 Solver_block: 1000 / 1360 - Time: 1.048 Solver_block: 1100 / 1360 - Time: 1.654 Solver_block: 1200 / 1360 - Time: 0.867 Solver_block: 1300 / 1360 - Time: 1.343 Solver_block: 1360 / 1360 - Time: 0.961 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.100 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 448 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 448 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 20), data: (968, 42) @ (42, 20) |-- (468, 448), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 20), data: (968, 42) @ (42, 20) |-- (468, 448), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:57:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:57:23]------------------------- 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 5.657516530408179 0.000000000000000 0.000000000000000 b 0.000000000000000 8.520154379999997 0.000000000000000 c -5.613781624317554 0.000000000000000 13.350766056321701 Atomic positions (fractional): 1 Ba 0.00046407269757 0.65316856947469 0.78579959128093 137.327 2 Ba 0.99953592730243 0.15316856947469 0.71420040871907 137.327 3 Ba 0.99953592730243 0.34683143052531 0.21420040871907 137.327 4 Ba 0.00046407269757 0.84683143052531 0.28579959128093 137.327 5 Zn 0.71953663651019 0.14898610266180 0.38699540961298 65.380 6 Zn 0.28046336348981 0.64898610266180 0.11300459038702 65.380 7 Zn 0.71953663651019 0.35101389733820 0.88699540961298 65.380 8 Zn 0.28046336348981 0.85101389733820 0.61300459038702 65.380 9 As 0.40804719940023 0.03301508133943 0.15739143502852 74.922 10 As 0.65798668641616 0.68385478224931 0.98724205802585 74.922 11 As 0.59195280059977 0.53301508133943 0.34260856497148 74.922 12 As 0.40804719940023 0.46698491866057 0.65739143502852 74.922 13 As 0.34201331358384 0.18385478224931 0.51275794197415 74.922 14 As 0.65798668641616 0.81614521775069 0.48724205802586 74.922 15 As 0.59195280059977 0.96698491866057 0.84260856497148 74.922 16 As 0.34201331358384 0.31614521775069 0.01275794197415 74.922 17 O 0.32685705940470 0.38739501022243 0.53619330406347 15.999 18 O 0.32074128284066 0.62171069419753 0.26420355807242 15.999 19 O 0.67314294059530 0.88739501022243 0.96380669593653 15.999 20 O 0.90887556295314 0.83750303202179 0.59763447639500 15.999 21 O 0.83857529009810 0.55953486639299 0.30922334893350 15.999 22 O 0.36202859586474 0.85081646864809 0.48471673142207 15.999 23 O 0.30560312927956 0.40873344118284 0.10985834628099 15.999 24 O 0.67925871715934 0.12171069419753 0.23579644192758 15.999 25 O 0.09112443704686 0.33750303202179 0.90236552360500 15.999 26 O 0.63797140413526 0.35081646864809 0.01528326857793 15.999 27 O 0.69439687072044 0.59126655881716 0.89014165371901 15.999 28 O 0.16142470990190 0.44046513360701 0.69077665106650 15.999 29 O 0.09112443704686 0.16249696797821 0.40236552360500 15.999 30 O 0.32685705940470 0.11260498977757 0.03619330406347 15.999 31 O 0.67314294059530 0.61260498977757 0.46380669593653 15.999 32 O 0.51361755277625 0.34487754564596 0.35136480337979 15.999 33 O 0.51361755277625 0.15512245435404 0.85136480337979 15.999 34 O 0.67925871715934 0.37828930580247 0.73579644192758 15.999 35 O 0.48638244722375 0.84487754564596 0.14863519662021 15.999 36 O 0.83857529009810 0.94046513360701 0.80922334893350 15.999 37 O 0.48638244722375 0.65512245435404 0.64863519662021 15.999 38 O 0.16142470990190 0.05953486639299 0.19077665106650 15.999 39 O 0.30560312927956 0.09126655881716 0.60985834628099 15.999 40 O 0.69439687072044 0.90873344118284 0.39014165371901 15.999 41 O 0.36202859586474 0.64918353135191 0.98471673142207 15.999 42 O 0.32074128284066 0.87828930580247 0.76420355807242 15.999 43 O 0.90887556295314 0.66249696797821 0.09763447639500 15.999 44 O 0.63797140413526 0.14918353135191 0.51528326857793 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.315033060816358 0.000000000000000 0.000000000000000 b 0.000000000000000 8.520154379999997 0.000000000000000 c -5.613781624317554 0.000000000000000 13.350766056321701 Atomic positions (fractional): 1 Ba 0.00023203634878 0.65316856947469 0.78579959128093 137.327 > 1 2 Ba 0.50023203634878 0.65316856947469 0.78579959128093 137.327 > 1 3 Ba 0.49976796365122 0.15316856947469 0.71420040871907 137.327 > 3 4 Ba 0.99976796365122 0.15316856947469 0.71420040871907 137.327 > 3 5 Ba 0.49976796365122 0.34683143052531 0.21420040871907 137.327 > 5 6 Ba 0.99976796365122 0.34683143052531 0.21420040871907 137.327 > 5 7 Ba 0.00023203634878 0.84683143052531 0.28579959128093 137.327 > 7 8 Ba 0.50023203634878 0.84683143052531 0.28579959128093 137.327 > 7 9 Zn 0.35976831825510 0.14898610266180 0.38699540961298 65.380 > 9 10 Zn 0.85976831825510 0.14898610266180 0.38699540961298 65.380 > 9 11 Zn 0.14023168174490 0.64898610266180 0.11300459038702 65.380 > 11 12 Zn 0.64023168174490 0.64898610266180 0.11300459038702 65.380 > 11 13 Zn 0.35976831825510 0.35101389733820 0.88699540961298 65.380 > 13 14 Zn 0.85976831825510 0.35101389733820 0.88699540961298 65.380 > 13 15 Zn 0.14023168174490 0.85101389733820 0.61300459038702 65.380 > 15 16 Zn 0.64023168174490 0.85101389733820 0.61300459038702 65.380 > 15 17 As 0.20402359970011 0.03301508133943 0.15739143502852 74.922 > 17 18 As 0.70402359970011 0.03301508133943 0.15739143502852 74.922 > 17 19 As 0.32899334320808 0.68385478224931 0.98724205802585 74.922 > 19 20 As 0.82899334320808 0.68385478224931 0.98724205802585 74.922 > 19 21 As 0.29597640029989 0.53301508133943 0.34260856497148 74.922 > 21 22 As 0.79597640029989 0.53301508133943 0.34260856497148 74.922 > 21 23 As 0.20402359970011 0.46698491866057 0.65739143502852 74.922 > 23 24 As 0.70402359970011 0.46698491866057 0.65739143502852 74.922 > 23 25 As 0.17100665679192 0.18385478224931 0.51275794197415 74.922 > 25 26 As 0.67100665679192 0.18385478224931 0.51275794197415 74.922 > 25 27 As 0.32899334320808 0.81614521775069 0.48724205802586 74.922 > 27 28 As 0.82899334320808 0.81614521775069 0.48724205802586 74.922 > 27 29 As 0.29597640029989 0.96698491866057 0.84260856497148 74.922 > 29 30 As 0.79597640029989 0.96698491866057 0.84260856497148 74.922 > 29 31 As 0.17100665679192 0.31614521775069 0.01275794197415 74.922 > 31 32 As 0.67100665679192 0.31614521775069 0.01275794197415 74.922 > 31 33 O 0.16342852970235 0.38739501022243 0.53619330406347 15.999 > 33 34 O 0.66342852970235 0.38739501022243 0.53619330406347 15.999 > 33 35 O 0.16037064142033 0.62171069419753 0.26420355807242 15.999 > 35 36 O 0.66037064142033 0.62171069419753 0.26420355807242 15.999 > 35 37 O 0.33657147029765 0.88739501022243 0.96380669593653 15.999 > 37 38 O 0.83657147029765 0.88739501022243 0.96380669593653 15.999 > 37 39 O 0.45443778147657 0.83750303202179 0.59763447639500 15.999 > 39 40 O 0.95443778147657 0.83750303202179 0.59763447639500 15.999 > 39 41 O 0.41928764504905 0.55953486639299 0.30922334893350 15.999 > 41 42 O 0.91928764504905 0.55953486639299 0.30922334893350 15.999 > 41 43 O 0.18101429793237 0.85081646864809 0.48471673142207 15.999 > 43 44 O 0.68101429793237 0.85081646864809 0.48471673142207 15.999 > 43 45 O 0.15280156463978 0.40873344118284 0.10985834628099 15.999 > 45 46 O 0.65280156463978 0.40873344118284 0.10985834628099 15.999 > 45 47 O 0.33962935857967 0.12171069419753 0.23579644192758 15.999 > 47 48 O 0.83962935857967 0.12171069419753 0.23579644192758 15.999 > 47 49 O 0.04556221852343 0.33750303202179 0.90236552360500 15.999 > 49 50 O 0.54556221852343 0.33750303202179 0.90236552360500 15.999 > 49 51 O 0.31898570206763 0.35081646864809 0.01528326857793 15.999 > 51 52 O 0.81898570206763 0.35081646864809 0.01528326857793 15.999 > 51 53 O 0.34719843536022 0.59126655881716 0.89014165371901 15.999 > 53 54 O 0.84719843536022 0.59126655881716 0.89014165371901 15.999 > 53 55 O 0.08071235495095 0.44046513360701 0.69077665106650 15.999 > 55 56 O 0.58071235495095 0.44046513360701 0.69077665106650 15.999 > 55 57 O 0.04556221852343 0.16249696797821 0.40236552360500 15.999 > 57 58 O 0.54556221852343 0.16249696797821 0.40236552360500 15.999 > 57 59 O 0.16342852970235 0.11260498977757 0.03619330406347 15.999 > 59 60 O 0.66342852970235 0.11260498977757 0.03619330406347 15.999 > 59 61 O 0.33657147029765 0.61260498977757 0.46380669593653 15.999 > 61 62 O 0.83657147029765 0.61260498977757 0.46380669593653 15.999 > 61 63 O 0.25680877638812 0.34487754564596 0.35136480337979 15.999 > 63 64 O 0.75680877638812 0.34487754564596 0.35136480337979 15.999 > 63 65 O 0.25680877638812 0.15512245435404 0.85136480337979 15.999 > 65 66 O 0.75680877638812 0.15512245435404 0.85136480337979 15.999 > 65 67 O 0.33962935857967 0.37828930580247 0.73579644192758 15.999 > 67 68 O 0.83962935857967 0.37828930580247 0.73579644192758 15.999 > 67 69 O 0.24319122361188 0.84487754564596 0.14863519662021 15.999 > 69 70 O 0.74319122361188 0.84487754564596 0.14863519662021 15.999 > 69 71 O 0.41928764504905 0.94046513360701 0.80922334893350 15.999 > 71 72 O 0.91928764504905 0.94046513360701 0.80922334893350 15.999 > 71 73 O 0.24319122361188 0.65512245435404 0.64863519662021 15.999 > 73 74 O 0.74319122361188 0.65512245435404 0.64863519662021 15.999 > 73 75 O 0.08071235495095 0.05953486639299 0.19077665106650 15.999 > 75 76 O 0.58071235495095 0.05953486639299 0.19077665106650 15.999 > 75 77 O 0.15280156463978 0.09126655881716 0.60985834628099 15.999 > 77 78 O 0.65280156463978 0.09126655881716 0.60985834628099 15.999 > 77 79 O 0.34719843536022 0.90873344118284 0.39014165371901 15.999 > 79 80 O 0.84719843536022 0.90873344118284 0.39014165371901 15.999 > 79 81 O 0.18101429793237 0.64918353135191 0.98471673142207 15.999 > 81 82 O 0.68101429793237 0.64918353135191 0.98471673142207 15.999 > 81 83 O 0.16037064142033 0.87828930580247 0.76420355807242 15.999 > 83 84 O 0.66037064142033 0.87828930580247 0.76420355807242 15.999 > 83 85 O 0.45443778147657 0.66249696797821 0.09763447639500 15.999 > 85 86 O 0.95443778147657 0.66249696797821 0.09763447639500 15.999 > 85 87 O 0.31898570206763 0.14918353135191 0.51528326857793 15.999 > 87 88 O 0.81898570206763 0.14918353135191 0.51528326857793 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3467158 0.0000000 -0.0262413 0.0000000 3.4181045 0.0000000 -0.0261875 0.0000000 3.3133440 -------------------------- Born effective charges -------------------------- 1 Ba 2.9876281 -0.1406639 -0.0046163 0.0849906 2.7214228 0.0789777 -0.0650459 -0.1294902 2.6100278 2 Ba 2.9876281 0.1406639 -0.0046163 -0.0849906 2.7214228 -0.0789777 -0.0650459 0.1294902 2.6100278 3 Ba 2.9876281 -0.1406639 -0.0046163 0.0849906 2.7214228 0.0789777 -0.0650459 -0.1294902 2.6100278 4 Ba 2.9876281 0.1406639 -0.0046163 -0.0849906 2.7214228 -0.0789777 -0.0650459 0.1294902 2.6100278 5 Zn 2.2656973 -0.0199554 -0.3673464 -0.2810917 2.4975359 -0.1272246 -0.0258253 -0.2570940 2.2883160 6 Zn 2.2656973 0.0199554 -0.3673464 0.2810917 2.4975359 0.1272246 -0.0258253 0.2570940 2.2883160 7 Zn 2.2656973 0.0199554 -0.3673464 0.2810917 2.4975359 0.1272246 -0.0258253 0.2570940 2.2883160 8 Zn 2.2656973 -0.0199554 -0.3673464 -0.2810917 2.4975359 -0.1272246 -0.0258253 -0.2570940 2.2883160 9 As 3.1520831 -0.0075015 -0.0004356 -0.1180547 3.7003940 -0.7680173 0.0458524 0.0719994 3.5000722 10 As 3.4157222 0.2231190 0.2120200 -0.0091938 3.8250554 0.2527120 -0.2859273 -0.8673792 3.3035536 11 As 3.1520831 0.0075015 -0.0004356 0.1180547 3.7003940 0.7680173 0.0458524 -0.0719994 3.5000722 12 As 3.1520831 0.0075015 -0.0004356 0.1180547 3.7003940 0.7680173 0.0458524 -0.0719994 3.5000722 13 As 3.4157222 -0.2231190 0.2120200 0.0091938 3.8250554 -0.2527120 -0.2859273 0.8673792 3.3035536 14 As 3.4157222 -0.2231190 0.2120200 0.0091938 3.8250554 -0.2527120 -0.2859273 0.8673792 3.3035536 15 As 3.1520831 -0.0075015 -0.0004356 -0.1180547 3.7003940 -0.7680173 0.0458524 0.0719994 3.5000722 16 As 3.4157222 0.2231190 0.2120200 -0.0091938 3.8250554 0.2527120 -0.2859273 -0.8673792 3.3035536 17 O -0.9213781 0.2211586 0.1607747 0.2639348 -2.3988699 -0.9874463 0.2371073 -1.0922315 -2.0044368 18 O -1.7224471 0.3019648 -0.3380609 0.2482299 -1.7134725 0.1636856 -0.3854113 0.2547993 -1.9531171 19 O -0.9213781 -0.2211586 0.1607747 -0.2639348 -2.3988699 0.9874463 0.2371073 1.0922315 -2.0044368 20 O -1.8982650 -0.0477242 -0.5059572 -0.1283920 -1.2704676 -0.0036471 -0.5947912 -0.1173026 -2.0308673 21 O -2.1461314 -0.1059169 0.4306676 -0.0315057 -1.6611067 -0.1423683 0.3999062 -0.0185216 -1.2304447 22 O -2.2171642 0.2709071 0.0663610 0.1765881 -1.3298714 0.1170506 0.3192858 -0.1313120 -1.5677796 23 O -1.5649850 0.1543096 0.4517450 0.2668794 -1.8374745 -0.4148669 0.4820532 -0.1257113 -1.6752776 24 O -1.7224471 -0.3019648 -0.3380609 -0.2482299 -1.7134725 -0.1636856 -0.3854113 -0.2547993 -1.9531171 25 O -1.8982650 0.0477242 -0.5059572 0.1283920 -1.2704676 0.0036471 -0.5947912 0.1173026 -2.0308673 26 O -2.2171642 -0.2709071 0.0663610 -0.1765881 -1.3298714 -0.1170506 0.3192858 0.1313120 -1.5677796 27 O -1.5649850 0.1543096 0.4517450 0.2668794 -1.8374745 -0.4148669 0.4820532 -0.1257113 -1.6752776 28 O -2.1461314 -0.1059169 0.4306676 -0.0315057 -1.6611067 -0.1423683 0.3999062 -0.0185216 -1.2304447 29 O -1.8982650 -0.0477242 -0.5059572 -0.1283920 -1.2704676 -0.0036471 -0.5947912 -0.1173026 -2.0308673 30 O -0.9213781 -0.2211586 0.1607747 -0.2639348 -2.3988699 0.9874463 0.2371073 1.0922315 -2.0044368 31 O -0.9213781 0.2211586 0.1607747 0.2639348 -2.3988699 -0.9874463 0.2371073 -1.0922315 -2.0044368 32 O -1.3507599 -0.1291221 -0.1051518 -0.1445118 -2.5331455 0.1367685 -0.1272040 0.3452082 -1.2400466 33 O -1.3507599 0.1291221 -0.1051518 0.1445118 -2.5331455 -0.1367685 -0.1272040 -0.3452082 -1.2400466 34 O -1.7224471 0.3019648 -0.3380609 0.2482299 -1.7134725 0.1636856 -0.3854113 0.2547993 -1.9531171 35 O -1.3507599 0.1291221 -0.1051518 0.1445118 -2.5331455 -0.1367685 -0.1272040 -0.3452082 -1.2400466 36 O -2.1461314 0.1059169 0.4306676 0.0315057 -1.6611067 0.1423683 0.3999062 0.0185216 -1.2304447 37 O -1.3507599 -0.1291221 -0.1051518 -0.1445118 -2.5331455 0.1367685 -0.1272040 0.3452082 -1.2400466 38 O -2.1461314 0.1059169 0.4306676 0.0315057 -1.6611067 0.1423683 0.3999062 0.0185216 -1.2304447 39 O -1.5649850 -0.1543096 0.4517450 -0.2668794 -1.8374745 0.4148669 0.4820532 0.1257113 -1.6752776 40 O -1.5649850 -0.1543096 0.4517450 -0.2668794 -1.8374745 0.4148669 0.4820532 0.1257113 -1.6752776 41 O -2.2171642 -0.2709071 0.0663610 -0.1765881 -1.3298714 -0.1170506 0.3192858 0.1313120 -1.5677796 42 O -1.7224471 -0.3019648 -0.3380609 -0.2482299 -1.7134725 -0.1636856 -0.3854113 -0.2547993 -1.9531171 43 O -1.8982650 0.0477242 -0.5059572 0.1283920 -1.2704676 0.0036471 -0.5947912 0.1173026 -2.0308673 44 O -2.2171642 0.2709071 0.0663610 0.1765881 -1.3298714 0.1170506 0.3192858 -0.1313120 -1.5677796 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 19, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 39, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 43, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 45, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:58:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:58:01]------------------------- 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 5.657516530408179 0.000000000000000 0.000000000000000 b 0.000000000000000 8.520154379999997 0.000000000000000 c -5.613781624317554 0.000000000000000 13.350766056321701 Atomic positions (fractional): 1 Ba 0.00046407269757 0.65316856947469 0.78579959128093 137.327 2 Ba 0.99953592730243 0.15316856947469 0.71420040871907 137.327 3 Ba 0.99953592730243 0.34683143052531 0.21420040871907 137.327 4 Ba 0.00046407269757 0.84683143052531 0.28579959128093 137.327 5 Zn 0.71953663651019 0.14898610266180 0.38699540961298 65.380 6 Zn 0.28046336348981 0.64898610266180 0.11300459038702 65.380 7 Zn 0.71953663651019 0.35101389733820 0.88699540961298 65.380 8 Zn 0.28046336348981 0.85101389733820 0.61300459038702 65.380 9 As 0.40804719940023 0.03301508133943 0.15739143502852 74.922 10 As 0.65798668641616 0.68385478224931 0.98724205802585 74.922 11 As 0.59195280059977 0.53301508133943 0.34260856497148 74.922 12 As 0.40804719940023 0.46698491866057 0.65739143502852 74.922 13 As 0.34201331358384 0.18385478224931 0.51275794197415 74.922 14 As 0.65798668641616 0.81614521775069 0.48724205802586 74.922 15 As 0.59195280059977 0.96698491866057 0.84260856497148 74.922 16 As 0.34201331358384 0.31614521775069 0.01275794197415 74.922 17 O 0.32685705940470 0.38739501022243 0.53619330406347 15.999 18 O 0.32074128284066 0.62171069419753 0.26420355807242 15.999 19 O 0.67314294059530 0.88739501022243 0.96380669593653 15.999 20 O 0.90887556295314 0.83750303202179 0.59763447639500 15.999 21 O 0.83857529009810 0.55953486639299 0.30922334893350 15.999 22 O 0.36202859586474 0.85081646864809 0.48471673142207 15.999 23 O 0.30560312927956 0.40873344118284 0.10985834628099 15.999 24 O 0.67925871715934 0.12171069419753 0.23579644192758 15.999 25 O 0.09112443704686 0.33750303202179 0.90236552360500 15.999 26 O 0.63797140413526 0.35081646864809 0.01528326857793 15.999 27 O 0.69439687072044 0.59126655881716 0.89014165371901 15.999 28 O 0.16142470990190 0.44046513360701 0.69077665106650 15.999 29 O 0.09112443704686 0.16249696797821 0.40236552360500 15.999 30 O 0.32685705940470 0.11260498977757 0.03619330406347 15.999 31 O 0.67314294059530 0.61260498977757 0.46380669593653 15.999 32 O 0.51361755277625 0.34487754564596 0.35136480337979 15.999 33 O 0.51361755277625 0.15512245435404 0.85136480337979 15.999 34 O 0.67925871715934 0.37828930580247 0.73579644192758 15.999 35 O 0.48638244722375 0.84487754564596 0.14863519662021 15.999 36 O 0.83857529009810 0.94046513360701 0.80922334893350 15.999 37 O 0.48638244722375 0.65512245435404 0.64863519662021 15.999 38 O 0.16142470990190 0.05953486639299 0.19077665106650 15.999 39 O 0.30560312927956 0.09126655881716 0.60985834628099 15.999 40 O 0.69439687072044 0.90873344118284 0.39014165371901 15.999 41 O 0.36202859586474 0.64918353135191 0.98471673142207 15.999 42 O 0.32074128284066 0.87828930580247 0.76420355807242 15.999 43 O 0.90887556295314 0.66249696797821 0.09763447639500 15.999 44 O 0.63797140413526 0.14918353135191 0.51528326857793 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.315033060816358 0.000000000000000 0.000000000000000 b 0.000000000000000 8.520154379999997 0.000000000000000 c -5.613781624317554 0.000000000000000 13.350766056321701 Atomic positions (fractional): 1 Ba 0.00023203634878 0.65316856947469 0.78579959128093 137.327 > 1 2 Ba 0.50023203634878 0.65316856947469 0.78579959128093 137.327 > 1 3 Ba 0.49976796365122 0.15316856947469 0.71420040871907 137.327 > 3 4 Ba 0.99976796365122 0.15316856947469 0.71420040871907 137.327 > 3 5 Ba 0.49976796365122 0.34683143052531 0.21420040871907 137.327 > 5 6 Ba 0.99976796365122 0.34683143052531 0.21420040871907 137.327 > 5 7 Ba 0.00023203634878 0.84683143052531 0.28579959128093 137.327 > 7 8 Ba 0.50023203634878 0.84683143052531 0.28579959128093 137.327 > 7 9 Zn 0.35976831825510 0.14898610266180 0.38699540961298 65.380 > 9 10 Zn 0.85976831825510 0.14898610266180 0.38699540961298 65.380 > 9 11 Zn 0.14023168174490 0.64898610266180 0.11300459038702 65.380 > 11 12 Zn 0.64023168174490 0.64898610266180 0.11300459038702 65.380 > 11 13 Zn 0.35976831825510 0.35101389733820 0.88699540961298 65.380 > 13 14 Zn 0.85976831825510 0.35101389733820 0.88699540961298 65.380 > 13 15 Zn 0.14023168174490 0.85101389733820 0.61300459038702 65.380 > 15 16 Zn 0.64023168174490 0.85101389733820 0.61300459038702 65.380 > 15 17 As 0.20402359970011 0.03301508133943 0.15739143502852 74.922 > 17 18 As 0.70402359970011 0.03301508133943 0.15739143502852 74.922 > 17 19 As 0.32899334320808 0.68385478224931 0.98724205802585 74.922 > 19 20 As 0.82899334320808 0.68385478224931 0.98724205802585 74.922 > 19 21 As 0.29597640029989 0.53301508133943 0.34260856497148 74.922 > 21 22 As 0.79597640029989 0.53301508133943 0.34260856497148 74.922 > 21 23 As 0.20402359970011 0.46698491866057 0.65739143502852 74.922 > 23 24 As 0.70402359970011 0.46698491866057 0.65739143502852 74.922 > 23 25 As 0.17100665679192 0.18385478224931 0.51275794197415 74.922 > 25 26 As 0.67100665679192 0.18385478224931 0.51275794197415 74.922 > 25 27 As 0.32899334320808 0.81614521775069 0.48724205802586 74.922 > 27 28 As 0.82899334320808 0.81614521775069 0.48724205802586 74.922 > 27 29 As 0.29597640029989 0.96698491866057 0.84260856497148 74.922 > 29 30 As 0.79597640029989 0.96698491866057 0.84260856497148 74.922 > 29 31 As 0.17100665679192 0.31614521775069 0.01275794197415 74.922 > 31 32 As 0.67100665679192 0.31614521775069 0.01275794197415 74.922 > 31 33 O 0.16342852970235 0.38739501022243 0.53619330406347 15.999 > 33 34 O 0.66342852970235 0.38739501022243 0.53619330406347 15.999 > 33 35 O 0.16037064142033 0.62171069419753 0.26420355807242 15.999 > 35 36 O 0.66037064142033 0.62171069419753 0.26420355807242 15.999 > 35 37 O 0.33657147029765 0.88739501022243 0.96380669593653 15.999 > 37 38 O 0.83657147029765 0.88739501022243 0.96380669593653 15.999 > 37 39 O 0.45443778147657 0.83750303202179 0.59763447639500 15.999 > 39 40 O 0.95443778147657 0.83750303202179 0.59763447639500 15.999 > 39 41 O 0.41928764504905 0.55953486639299 0.30922334893350 15.999 > 41 42 O 0.91928764504905 0.55953486639299 0.30922334893350 15.999 > 41 43 O 0.18101429793237 0.85081646864809 0.48471673142207 15.999 > 43 44 O 0.68101429793237 0.85081646864809 0.48471673142207 15.999 > 43 45 O 0.15280156463978 0.40873344118284 0.10985834628099 15.999 > 45 46 O 0.65280156463978 0.40873344118284 0.10985834628099 15.999 > 45 47 O 0.33962935857967 0.12171069419753 0.23579644192758 15.999 > 47 48 O 0.83962935857967 0.12171069419753 0.23579644192758 15.999 > 47 49 O 0.04556221852343 0.33750303202179 0.90236552360500 15.999 > 49 50 O 0.54556221852343 0.33750303202179 0.90236552360500 15.999 > 49 51 O 0.31898570206763 0.35081646864809 0.01528326857793 15.999 > 51 52 O 0.81898570206763 0.35081646864809 0.01528326857793 15.999 > 51 53 O 0.34719843536022 0.59126655881716 0.89014165371901 15.999 > 53 54 O 0.84719843536022 0.59126655881716 0.89014165371901 15.999 > 53 55 O 0.08071235495095 0.44046513360701 0.69077665106650 15.999 > 55 56 O 0.58071235495095 0.44046513360701 0.69077665106650 15.999 > 55 57 O 0.04556221852343 0.16249696797821 0.40236552360500 15.999 > 57 58 O 0.54556221852343 0.16249696797821 0.40236552360500 15.999 > 57 59 O 0.16342852970235 0.11260498977757 0.03619330406347 15.999 > 59 60 O 0.66342852970235 0.11260498977757 0.03619330406347 15.999 > 59 61 O 0.33657147029765 0.61260498977757 0.46380669593653 15.999 > 61 62 O 0.83657147029765 0.61260498977757 0.46380669593653 15.999 > 61 63 O 0.25680877638812 0.34487754564596 0.35136480337979 15.999 > 63 64 O 0.75680877638812 0.34487754564596 0.35136480337979 15.999 > 63 65 O 0.25680877638812 0.15512245435404 0.85136480337979 15.999 > 65 66 O 0.75680877638812 0.15512245435404 0.85136480337979 15.999 > 65 67 O 0.33962935857967 0.37828930580247 0.73579644192758 15.999 > 67 68 O 0.83962935857967 0.37828930580247 0.73579644192758 15.999 > 67 69 O 0.24319122361188 0.84487754564596 0.14863519662021 15.999 > 69 70 O 0.74319122361188 0.84487754564596 0.14863519662021 15.999 > 69 71 O 0.41928764504905 0.94046513360701 0.80922334893350 15.999 > 71 72 O 0.91928764504905 0.94046513360701 0.80922334893350 15.999 > 71 73 O 0.24319122361188 0.65512245435404 0.64863519662021 15.999 > 73 74 O 0.74319122361188 0.65512245435404 0.64863519662021 15.999 > 73 75 O 0.08071235495095 0.05953486639299 0.19077665106650 15.999 > 75 76 O 0.58071235495095 0.05953486639299 0.19077665106650 15.999 > 75 77 O 0.15280156463978 0.09126655881716 0.60985834628099 15.999 > 77 78 O 0.65280156463978 0.09126655881716 0.60985834628099 15.999 > 77 79 O 0.34719843536022 0.90873344118284 0.39014165371901 15.999 > 79 80 O 0.84719843536022 0.90873344118284 0.39014165371901 15.999 > 79 81 O 0.18101429793237 0.64918353135191 0.98471673142207 15.999 > 81 82 O 0.68101429793237 0.64918353135191 0.98471673142207 15.999 > 81 83 O 0.16037064142033 0.87828930580247 0.76420355807242 15.999 > 83 84 O 0.66037064142033 0.87828930580247 0.76420355807242 15.999 > 83 85 O 0.45443778147657 0.66249696797821 0.09763447639500 15.999 > 85 86 O 0.95443778147657 0.66249696797821 0.09763447639500 15.999 > 85 87 O 0.31898570206763 0.14918353135191 0.51528326857793 15.999 > 87 88 O 0.81898570206763 0.14918353135191 0.51528326857793 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3467158 0.0000000 -0.0262413 0.0000000 3.4181045 0.0000000 -0.0261875 0.0000000 3.3133440 -------------------------- Born effective charges -------------------------- 1 Ba 2.9876281 -0.1406639 -0.0046163 0.0849906 2.7214228 0.0789777 -0.0650459 -0.1294902 2.6100278 2 Ba 2.9876281 0.1406639 -0.0046163 -0.0849906 2.7214228 -0.0789777 -0.0650459 0.1294902 2.6100278 3 Ba 2.9876281 -0.1406639 -0.0046163 0.0849906 2.7214228 0.0789777 -0.0650459 -0.1294902 2.6100278 4 Ba 2.9876281 0.1406639 -0.0046163 -0.0849906 2.7214228 -0.0789777 -0.0650459 0.1294902 2.6100278 5 Zn 2.2656973 -0.0199554 -0.3673464 -0.2810917 2.4975359 -0.1272246 -0.0258253 -0.2570940 2.2883160 6 Zn 2.2656973 0.0199554 -0.3673464 0.2810917 2.4975359 0.1272246 -0.0258253 0.2570940 2.2883160 7 Zn 2.2656973 0.0199554 -0.3673464 0.2810917 2.4975359 0.1272246 -0.0258253 0.2570940 2.2883160 8 Zn 2.2656973 -0.0199554 -0.3673464 -0.2810917 2.4975359 -0.1272246 -0.0258253 -0.2570940 2.2883160 9 As 3.1520831 -0.0075015 -0.0004356 -0.1180547 3.7003940 -0.7680173 0.0458524 0.0719994 3.5000722 10 As 3.4157222 0.2231190 0.2120200 -0.0091938 3.8250554 0.2527120 -0.2859273 -0.8673792 3.3035536 11 As 3.1520831 0.0075015 -0.0004356 0.1180547 3.7003940 0.7680173 0.0458524 -0.0719994 3.5000722 12 As 3.1520831 0.0075015 -0.0004356 0.1180547 3.7003940 0.7680173 0.0458524 -0.0719994 3.5000722 13 As 3.4157222 -0.2231190 0.2120200 0.0091938 3.8250554 -0.2527120 -0.2859273 0.8673792 3.3035536 14 As 3.4157222 -0.2231190 0.2120200 0.0091938 3.8250554 -0.2527120 -0.2859273 0.8673792 3.3035536 15 As 3.1520831 -0.0075015 -0.0004356 -0.1180547 3.7003940 -0.7680173 0.0458524 0.0719994 3.5000722 16 As 3.4157222 0.2231190 0.2120200 -0.0091938 3.8250554 0.2527120 -0.2859273 -0.8673792 3.3035536 17 O -0.9213781 0.2211586 0.1607747 0.2639348 -2.3988699 -0.9874463 0.2371073 -1.0922315 -2.0044368 18 O -1.7224471 0.3019648 -0.3380609 0.2482299 -1.7134725 0.1636856 -0.3854113 0.2547993 -1.9531171 19 O -0.9213781 -0.2211586 0.1607747 -0.2639348 -2.3988699 0.9874463 0.2371073 1.0922315 -2.0044368 20 O -1.8982650 -0.0477242 -0.5059572 -0.1283920 -1.2704676 -0.0036471 -0.5947912 -0.1173026 -2.0308673 21 O -2.1461314 -0.1059169 0.4306676 -0.0315057 -1.6611067 -0.1423683 0.3999062 -0.0185216 -1.2304447 22 O -2.2171642 0.2709071 0.0663610 0.1765881 -1.3298714 0.1170506 0.3192858 -0.1313120 -1.5677796 23 O -1.5649850 0.1543096 0.4517450 0.2668794 -1.8374745 -0.4148669 0.4820532 -0.1257113 -1.6752776 24 O -1.7224471 -0.3019648 -0.3380609 -0.2482299 -1.7134725 -0.1636856 -0.3854113 -0.2547993 -1.9531171 25 O -1.8982650 0.0477242 -0.5059572 0.1283920 -1.2704676 0.0036471 -0.5947912 0.1173026 -2.0308673 26 O -2.2171642 -0.2709071 0.0663610 -0.1765881 -1.3298714 -0.1170506 0.3192858 0.1313120 -1.5677796 27 O -1.5649850 0.1543096 0.4517450 0.2668794 -1.8374745 -0.4148669 0.4820532 -0.1257113 -1.6752776 28 O -2.1461314 -0.1059169 0.4306676 -0.0315057 -1.6611067 -0.1423683 0.3999062 -0.0185216 -1.2304447 29 O -1.8982650 -0.0477242 -0.5059572 -0.1283920 -1.2704676 -0.0036471 -0.5947912 -0.1173026 -2.0308673 30 O -0.9213781 -0.2211586 0.1607747 -0.2639348 -2.3988699 0.9874463 0.2371073 1.0922315 -2.0044368 31 O -0.9213781 0.2211586 0.1607747 0.2639348 -2.3988699 -0.9874463 0.2371073 -1.0922315 -2.0044368 32 O -1.3507599 -0.1291221 -0.1051518 -0.1445118 -2.5331455 0.1367685 -0.1272040 0.3452082 -1.2400466 33 O -1.3507599 0.1291221 -0.1051518 0.1445118 -2.5331455 -0.1367685 -0.1272040 -0.3452082 -1.2400466 34 O -1.7224471 0.3019648 -0.3380609 0.2482299 -1.7134725 0.1636856 -0.3854113 0.2547993 -1.9531171 35 O -1.3507599 0.1291221 -0.1051518 0.1445118 -2.5331455 -0.1367685 -0.1272040 -0.3452082 -1.2400466 36 O -2.1461314 0.1059169 0.4306676 0.0315057 -1.6611067 0.1423683 0.3999062 0.0185216 -1.2304447 37 O -1.3507599 -0.1291221 -0.1051518 -0.1445118 -2.5331455 0.1367685 -0.1272040 0.3452082 -1.2400466 38 O -2.1461314 0.1059169 0.4306676 0.0315057 -1.6611067 0.1423683 0.3999062 0.0185216 -1.2304447 39 O -1.5649850 -0.1543096 0.4517450 -0.2668794 -1.8374745 0.4148669 0.4820532 0.1257113 -1.6752776 40 O -1.5649850 -0.1543096 0.4517450 -0.2668794 -1.8374745 0.4148669 0.4820532 0.1257113 -1.6752776 41 O -2.2171642 -0.2709071 0.0663610 -0.1765881 -1.3298714 -0.1170506 0.3192858 0.1313120 -1.5677796 42 O -1.7224471 -0.3019648 -0.3380609 -0.2482299 -1.7134725 -0.1636856 -0.3854113 -0.2547993 -1.9531171 43 O -1.8982650 0.0477242 -0.5059572 0.1283920 -1.2704676 0.0036471 -0.5947912 0.1173026 -2.0308673 44 O -2.2171642 0.2709071 0.0663610 0.1765881 -1.3298714 0.1170506 0.3192858 -0.1313120 -1.5677796 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 6 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 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 1.477 ( 0.000 0.000 0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.658 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.514 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.511 ( 0.000 0.000 0.000) 0.000 6.648 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.135 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.323 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 7.783 ( 0.000 0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.113 ( 0.000 0.000 0.000) 0.000 8.248 ( 0.000 0.000 0.000) 0.000 8.482 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.562 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.378 ( 0.000 0.000 0.000) 0.000 9.512 ( 0.000 0.000 0.000) 0.000 9.975 ( 0.000 0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 10.179 ( 0.000 0.000 0.000) 0.000 10.325 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 10.888 ( 0.000 0.000 0.000) 0.000 11.177 ( 0.000 0.000 0.000) 0.000 11.219 ( 0.000 0.000 0.000) 0.000 11.297 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.463 ( 0.000 0.000 0.000) 0.000 11.647 ( 0.000 0.000 0.000) 0.000 11.811 ( 0.000 0.000 0.000) 0.000 12.140 ( 0.000 0.000 0.000) 0.000 12.379 ( 0.000 0.000 0.000) 0.000 12.559 ( 0.000 0.000 0.000) 0.000 12.604 ( 0.000 0.000 0.000) 0.000 12.668 ( 0.000 0.000 0.000) 0.000 12.860 ( 0.000 0.000 0.000) 0.000 12.890 ( 0.000 0.000 0.000) 0.000 12.952 ( 0.000 0.000 0.000) 0.000 13.318 ( 0.000 0.000 0.000) 0.000 13.360 ( 0.000 0.000 0.000) 0.000 13.664 ( 0.000 0.000 0.000) 0.000 13.751 ( 0.000 0.000 0.000) 0.000 15.775 ( 0.000 0.000 0.000) 0.000 15.990 ( 0.000 0.000 0.000) 0.000 16.391 ( 0.000 0.000 0.000) 0.000 16.405 ( 0.000 0.000 0.000) 0.000 21.231 ( 0.000 0.000 0.000) 0.000 21.241 ( 0.000 0.000 0.000) 0.000 21.535 ( 0.000 0.000 0.000) 0.000 21.707 ( 0.000 0.000 0.000) 0.000 22.562 ( 0.000 0.000 0.000) 0.000 22.766 ( 0.000 0.000 0.000) 0.000 22.814 ( 0.000 0.000 0.000) 0.000 23.052 ( 0.000 0.000 0.000) 0.000 23.192 ( 0.000 0.000 0.000) 0.000 23.217 ( 0.000 0.000 0.000) 0.000 23.326 ( 0.000 0.000 0.000) 0.000 23.388 ( 0.000 0.000 0.000) 0.000 23.462 ( 0.000 0.000 0.000) 0.000 23.684 ( 0.000 0.000 0.000) 0.000 23.751 ( 0.000 0.000 0.000) 0.000 23.828 ( 0.000 0.000 0.000) 0.000 24.212 ( 0.000 0.000 0.000) 0.000 24.278 ( 0.000 0.000 0.000) 0.000 24.357 ( 0.000 0.000 0.000) 0.000 24.701 ( 0.000 0.000 0.000) 0.000 24.878 ( 0.000 0.000 0.000) 0.000 25.047 ( 0.000 0.000 0.000) 0.000 25.066 ( 0.000 0.000 0.000) 0.000 25.251 ( 0.000 0.000 0.000) 0.000 25.291 ( 0.000 0.000 0.000) 0.000 25.299 ( 0.000 0.000 0.000) 0.000 25.362 ( 0.000 0.000 0.000) 0.000 25.437 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 25.337 0.000 5.525) 25.933 0.562 ( 28.802 0.000 5.342) 29.293 0.856 ( 37.955 0.000 19.664) 42.746 1.513 ( 5.392 0.000 -3.189) 6.264 1.652 ( -6.217 0.000 -6.274) 8.832 1.975 ( -12.393 0.000 6.483) 13.986 1.981 ( -1.447 0.000 -2.840) 3.187 2.129 ( 6.475 0.000 -7.777) 10.120 2.148 ( 5.042 0.000 5.554) 7.501 2.423 ( 1.805 0.000 -0.163) 1.812 2.519 ( -7.033 0.000 3.412) 7.817 2.565 ( 6.114 0.000 -6.126) 8.655 2.638 ( 3.596 0.000 1.766) 4.007 2.689 ( -2.175 0.000 3.630) 4.232 2.745 ( 3.062 0.000 6.787) 7.446 2.810 ( -0.062 0.000 -3.821) 3.821 2.942 ( -6.520 0.000 2.025) 6.827 2.947 ( -3.525 0.000 -5.456) 6.496 3.036 ( 0.236 0.000 0.528) 0.578 3.113 ( 2.296 0.000 2.997) 3.775 3.127 ( 0.290 0.000 0.170) 0.336 3.160 ( 1.606 0.000 0.285) 1.632 3.439 ( -4.514 0.000 1.987) 4.932 3.448 ( -0.904 0.000 -3.111) 3.240 3.482 ( -1.498 0.000 -8.060) 8.198 3.551 ( 1.763 0.000 -1.580) 2.367 3.644 ( -6.015 0.000 5.641) 8.246 3.719 ( 5.342 0.000 2.185) 5.772 3.866 ( -1.969 0.000 -3.707) 4.197 3.953 ( 2.048 0.000 -0.763) 2.186 3.999 ( 5.715 0.000 0.440) 5.731 4.018 ( -1.143 0.000 -0.432) 1.222 4.222 ( -2.188 0.000 8.992) 9.255 4.312 ( 4.552 0.000 -0.949) 4.650 4.394 ( 0.681 0.000 -7.898) 7.928 4.507 ( 1.181 0.000 -6.009) 6.124 4.520 ( 7.233 0.000 -0.644) 7.262 4.655 ( -0.399 0.000 -3.390) 3.413 4.694 ( 1.353 0.000 0.502) 1.443 4.820 ( -11.087 0.000 19.941) 22.816 5.012 ( -4.643 0.000 -3.974) 6.111 5.179 ( -0.043 0.000 5.984) 5.984 5.217 ( 1.304 0.000 -0.838) 1.550 5.447 ( -4.728 0.000 -5.034) 6.907 5.556 ( -3.823 0.000 2.711) 4.686 5.649 ( 6.764 0.000 -16.421) 17.760 5.769 ( 1.352 0.000 7.824) 7.940 5.852 ( 0.375 0.000 -0.296) 0.477 6.138 ( -3.977 0.000 -0.102) 3.978 6.288 ( 2.892 0.000 3.625) 4.637 6.445 ( -7.405 0.000 1.368) 7.530 6.623 ( 0.979 0.000 -6.205) 6.282 6.902 ( -10.845 0.000 7.326) 13.088 6.906 ( -2.753 0.000 0.247) 2.764 7.076 ( -0.020 0.000 1.524) 1.524 7.113 ( 0.450 0.000 -3.158) 3.190 7.253 ( -0.803 0.000 7.240) 7.284 7.261 ( 1.655 0.000 -2.613) 3.094 7.294 ( -2.147 0.000 -1.662) 2.715 7.477 ( -1.818 0.000 0.357) 1.853 7.791 ( 0.551 0.000 0.586) 0.805 7.826 ( 5.514 0.000 -0.122) 5.515 7.996 ( 1.185 0.000 -2.347) 2.630 8.092 ( 0.860 0.000 -0.401) 0.949 8.137 ( 1.640 0.000 1.048) 1.946 8.265 ( -0.099 0.000 5.225) 5.226 8.453 ( -2.302 0.000 -1.808) 2.927 8.480 ( -1.231 0.000 1.849) 2.221 8.526 ( 0.122 0.000 -2.773) 2.775 8.555 ( 0.398 0.000 -2.628) 2.658 8.899 ( -2.249 0.000 -0.492) 2.302 8.967 ( -0.991 0.000 1.091) 1.474 9.382 ( 0.407 0.000 -0.853) 0.945 9.529 ( 1.841 0.000 -0.153) 1.847 9.966 ( -2.452 0.000 -0.309) 2.472 9.973 ( -0.503 0.000 0.792) 0.938 10.327 ( 0.988 0.000 -1.789) 2.043 10.448 ( -8.396 0.000 23.444) 24.902 10.832 ( 0.327 0.000 -2.053) 2.079 10.892 ( 1.144 0.000 1.228) 1.678 10.899 ( 1.177 0.000 9.715) 9.786 11.146 ( -5.158 0.000 -1.717) 5.436 11.196 ( -1.896 0.000 2.585) 3.206 11.345 ( 2.888 0.000 1.388) 3.204 11.422 ( 3.876 0.000 -2.252) 4.483 11.470 ( 1.554 0.000 -1.997) 2.530 11.817 ( 10.855 0.000 -28.218) 30.234 11.825 ( 0.210 0.000 2.889) 2.897 12.120 ( -1.530 0.000 -1.411) 2.081 12.521 ( -5.306 0.000 4.790) 7.149 12.529 ( 0.240 0.000 -7.386) 7.390 12.619 ( -0.489 0.000 -3.105) 3.143 12.658 ( 0.555 0.000 3.491) 3.534 12.833 ( -0.898 0.000 -2.872) 3.009 12.991 ( 4.400 0.000 -1.564) 4.670 13.077 ( 0.661 0.000 11.750) 11.769 13.334 ( 0.864 0.000 2.209) 2.372 13.380 ( 1.224 0.000 0.078) 1.227 13.731 ( -1.644 0.000 0.510) 1.721 13.918 ( 2.475 0.000 -16.271) 16.459 15.829 ( -2.511 0.000 8.193) 8.570 15.985 ( -0.411 0.000 -0.321) 0.522 16.375 ( -1.795 0.000 0.238) 1.811 16.393 ( -1.284 0.000 -0.164) 1.294 21.239 ( -0.492 0.000 3.198) 3.235 21.391 ( -9.722 0.000 24.846) 26.680 21.488 ( -3.264 0.000 -3.775) 4.990 21.672 ( -4.791 0.000 0.687) 4.840 22.581 ( 2.329 0.000 -0.657) 2.420 22.771 ( 2.847 0.000 -3.447) 4.471 22.858 ( 1.745 0.000 5.397) 5.672 23.045 ( -0.105 0.000 -1.336) 1.340 23.150 ( -2.733 0.000 -1.954) 3.360 23.247 ( 0.765 0.000 -1.446) 1.636 23.384 ( 0.092 0.000 -1.221) 1.224 23.524 ( 4.988 0.000 1.533) 5.218 23.684 ( 0.069 0.000 0.671) 0.674 23.726 ( -1.107 0.000 -1.981) 2.269 23.852 ( 0.404 0.000 3.681) 3.703 24.135 ( -6.019 0.000 -2.436) 6.493 24.232 ( -2.951 0.000 -4.149) 5.092 24.322 ( -7.483 0.000 14.279) 16.121 24.499 ( 2.252 0.000 5.452) 5.899 24.696 ( -0.353 0.000 -1.234) 1.284 24.881 ( 0.544 0.000 -0.372) 0.659 24.988 ( -5.530 0.000 -1.198) 5.658 25.214 ( -1.635 0.000 1.623) 2.304 25.236 ( 0.216 0.000 -1.465) 1.481 25.320 ( 1.947 0.000 -0.264) 1.965 25.390 ( 2.370 0.000 1.020) 2.580 25.595 ( 11.946 0.000 3.413) 12.424 26.047 ( 15.472 0.000 -35.468) 38.696 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 21.617 0.000 3.329) 21.872 1.081 ( 26.376 0.000 1.780) 26.436 1.516 ( 0.105 0.000 -9.026) 9.026 1.574 ( 25.247 0.000 14.651) 29.190 1.616 ( 8.578 0.000 -2.020) 8.813 1.838 ( -8.531 0.000 8.382) 11.960 1.951 ( 3.361 0.000 -4.954) 5.987 2.189 ( 4.000 0.000 -5.022) 6.420 2.281 ( 4.628 0.000 4.679) 6.581 2.401 ( -5.089 0.000 1.477) 5.299 2.445 ( -3.400 0.000 2.794) 4.401 2.534 ( 1.279 0.000 -8.302) 8.400 2.683 ( -2.233 0.000 4.300) 4.845 2.717 ( 2.509 0.000 -2.042) 3.235 2.777 ( -4.663 0.000 -3.414) 5.779 2.817 ( -5.487 0.000 6.510) 8.514 2.889 ( 2.686 0.000 8.189) 8.618 2.934 ( 10.762 0.000 -9.561) 14.395 3.047 ( 1.421 0.000 -1.660) 2.185 3.095 ( -3.333 0.000 -4.371) 5.497 3.145 ( -0.310 0.000 -4.612) 4.623 3.151 ( -1.066 0.000 2.212) 2.455 3.368 ( -4.461 0.000 2.259) 5.000 3.417 ( 1.749 0.000 -6.116) 6.361 3.420 ( 0.808 0.000 -2.097) 2.247 3.528 ( -1.429 0.000 -1.167) 1.846 3.642 ( -0.166 0.000 6.183) 6.185 3.818 ( 1.801 0.000 -2.280) 2.906 3.874 ( 6.632 0.000 0.093) 6.632 3.977 ( -1.413 0.000 -1.362) 1.963 3.993 ( 2.505 0.000 0.826) 2.638 4.087 ( 3.157 0.000 -0.943) 3.295 4.227 ( -3.221 0.000 11.231) 11.684 4.333 ( 0.720 0.000 -10.071) 10.097 4.479 ( 9.889 0.000 2.150) 10.120 4.485 ( 2.134 0.000 -6.868) 7.192 4.592 ( -0.098 0.000 2.040) 2.042 4.611 ( -5.768 0.000 6.743) 8.873 4.747 ( 6.067 0.000 -3.464) 6.986 4.758 ( -9.328 0.000 11.673) 14.942 4.904 ( -4.661 0.000 -2.007) 5.075 5.201 ( -3.098 0.000 7.174) 7.814 5.233 ( 1.312 0.000 -2.478) 2.804 5.305 ( -5.934 0.000 -4.269) 7.310 5.500 ( -4.065 0.000 2.363) 4.702 5.644 ( 5.016 0.000 -12.909) 13.850 5.842 ( -1.736 0.000 -0.072) 1.738 5.848 ( 2.159 0.000 2.037) 2.968 6.051 ( -6.194 0.000 1.316) 6.332 6.313 ( -7.411 0.000 0.956) 7.472 6.378 ( 3.206 0.000 5.918) 6.731 6.591 ( -0.195 0.000 -5.390) 5.393 6.770 ( -7.120 0.000 2.312) 7.486 6.788 ( -7.918 0.000 -2.891) 8.429 7.082 ( -2.300 0.000 0.523) 2.359 7.088 ( -0.316 0.000 -0.724) 0.790 7.244 ( -2.216 0.000 -0.176) 2.223 7.250 ( -2.878 0.000 3.457) 4.498 7.288 ( 2.846 0.000 -5.419) 6.121 7.476 ( 1.345 0.000 0.968) 1.657 7.811 ( 0.293 0.000 2.674) 2.690 7.925 ( 4.594 0.000 1.407) 4.804 8.006 ( 1.462 0.000 -0.911) 1.722 8.099 ( 0.941 0.000 -4.359) 4.459 8.173 ( 1.067 0.000 3.466) 3.627 8.324 ( 0.747 0.000 8.644) 8.676 8.390 ( -2.305 0.000 -3.757) 4.407 8.464 ( -2.479 0.000 2.907) 3.821 8.484 ( -2.380 0.000 -3.262) 4.038 8.542 ( 0.463 0.000 -2.751) 2.789 8.840 ( -3.597 0.000 -1.065) 3.751 8.954 ( -1.557 0.000 1.759) 2.349 9.383 ( -0.232 0.000 0.579) 0.624 9.570 ( 2.882 0.000 -0.421) 2.913 9.920 ( -1.879 0.000 -0.740) 2.019 9.972 ( -0.487 0.000 1.280) 1.369 10.339 ( 2.738 0.000 -3.220) 4.227 10.488 ( 0.164 0.000 6.891) 6.893 10.822 ( 0.630 0.000 -2.637) 2.711 10.902 ( -1.164 0.000 3.461) 3.652 11.038 ( 3.339 0.000 12.547) 12.984 11.043 ( -4.037 0.000 -3.214) 5.160 11.187 ( -0.364 0.000 0.625) 0.723 11.381 ( -1.323 0.000 2.370) 2.714 11.477 ( 5.704 0.000 -6.651) 8.762 11.510 ( 5.888 0.000 -2.666) 6.463 11.804 ( 5.247 0.000 -12.619) 13.667 11.855 ( 0.035 0.000 4.072) 4.073 12.072 ( -2.110 0.000 -2.251) 3.085 12.447 ( -8.902 0.000 8.807) 12.522 12.464 ( -3.538 0.000 -1.603) 3.885 12.569 ( -0.442 0.000 -5.169) 5.188 12.730 ( 4.010 0.000 2.864) 4.928 12.803 ( -0.118 0.000 -2.319) 2.322 13.056 ( 3.943 0.000 -2.584) 4.715 13.179 ( 1.943 0.000 7.727) 7.967 13.355 ( -4.267 0.000 -0.603) 4.310 13.375 ( 0.895 0.000 4.359) 4.450 13.742 ( 1.708 0.000 3.068) 3.511 13.815 ( -1.745 0.000 -11.821) 11.949 15.852 ( -0.018 0.000 3.848) 3.848 15.973 ( -0.274 0.000 -0.961) 0.999 16.333 ( -3.114 0.000 0.265) 3.126 16.360 ( -2.170 0.000 -0.255) 2.185 21.260 ( -0.707 0.000 5.216) 5.264 21.379 ( -4.926 0.000 -5.413) 7.319 21.409 ( -4.051 0.000 12.601) 13.237 21.542 ( -8.362 0.000 -2.919) 8.857 22.628 ( 3.645 0.000 -1.386) 3.900 22.820 ( 4.354 0.000 -1.568) 4.628 22.938 ( 2.836 0.000 4.453) 5.280 23.030 ( -0.190 0.000 -1.938) 1.947 23.098 ( -1.608 0.000 -0.497) 1.683 23.250 ( -0.347 0.000 1.170) 1.220 23.370 ( -0.280 0.000 -2.397) 2.413 23.599 ( 1.174 0.000 -0.004) 1.174 23.692 ( 0.402 0.000 0.186) 0.443 23.714 ( 1.422 0.000 -0.390) 1.474 23.883 ( -0.594 0.000 4.704) 4.741 24.004 ( -5.886 0.000 -2.891) 6.558 24.140 ( -2.404 0.000 -5.453) 5.959 24.285 ( -4.886 0.000 5.611) 7.440 24.574 ( 2.266 0.000 2.996) 3.756 24.670 ( -0.652 0.000 -2.466) 2.551 24.892 ( 1.105 0.000 -0.450) 1.193 24.917 ( -1.994 0.000 0.314) 2.019 25.212 ( -0.147 0.000 1.316) 1.324 25.233 ( 0.527 0.000 -1.005) 1.135 25.357 ( 2.552 0.000 -0.564) 2.613 25.448 ( 2.752 0.000 1.664) 3.217 25.832 ( 10.193 0.000 5.577) 11.619 26.061 ( 7.721 0.000 -15.928) 17.701 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 13.117 0.000 -1.308) 13.182 1.497 ( 20.718 0.000 -4.093) 21.119 1.586 ( 13.259 0.000 -6.527) 14.778 1.706 ( -0.139 0.000 0.790) 0.802 1.823 ( -0.435 0.000 10.210) 10.220 1.869 ( 11.658 0.000 -1.080) 11.708 2.151 ( -4.974 0.000 -2.685) 5.653 2.154 ( 12.736 0.000 2.637) 13.007 2.304 ( -5.690 0.000 2.036) 6.044 2.368 ( 1.878 0.000 4.069) 4.481 2.449 ( 1.807 0.000 3.418) 3.866 2.557 ( 4.291 0.000 -5.836) 7.243 2.583 ( -9.945 0.000 -3.337) 10.490 2.638 ( -6.140 0.000 3.969) 7.311 2.712 ( -1.044 0.000 -4.993) 5.101 2.778 ( -3.353 0.000 4.960) 5.988 2.968 ( -5.639 0.000 0.724) 5.686 2.970 ( -0.028 0.000 -9.768) 9.768 3.029 ( -2.374 0.000 -3.127) 3.927 3.095 ( 6.369 0.000 4.315) 7.693 3.177 ( 2.950 0.000 7.853) 8.389 3.184 ( 10.868 0.000 -5.579) 12.216 3.311 ( -2.206 0.000 0.257) 2.220 3.434 ( 0.712 0.000 0.794) 1.067 3.463 ( 5.889 0.000 -1.972) 6.210 3.526 ( 2.740 0.000 -2.178) 3.500 3.722 ( 4.134 0.000 6.008) 7.293 3.823 ( 1.662 0.000 -2.816) 3.270 3.894 ( -3.162 0.000 0.382) 3.185 4.039 ( 6.874 0.000 -4.886) 8.434 4.047 ( 0.505 0.000 4.064) 4.096 4.074 ( -1.269 0.000 -3.619) 3.835 4.283 ( 1.750 0.000 9.770) 9.925 4.297 ( 4.166 0.000 -10.872) 11.643 4.482 ( 1.641 0.000 -3.404) 3.779 4.560 ( -4.791 0.000 5.055) 6.964 4.567 ( -4.287 0.000 3.140) 5.314 4.655 ( 7.749 0.000 1.777) 7.950 4.663 ( -8.486 0.000 6.455) 10.662 4.799 ( 0.740 0.000 -6.494) 6.536 4.853 ( 0.708 0.000 3.246) 3.323 5.161 ( -4.644 0.000 -2.928) 5.490 5.176 ( -5.087 0.000 6.652) 8.374 5.266 ( 1.765 0.000 -2.074) 2.724 5.467 ( -1.025 0.000 1.533) 1.844 5.631 ( 2.405 0.000 -8.631) 8.959 5.779 ( -5.335 0.000 -0.133) 5.337 5.829 ( -4.301 0.000 -2.491) 4.970 5.959 ( -4.951 0.000 1.393) 5.144 6.226 ( -3.481 0.000 2.660) 4.380 6.481 ( 2.889 0.000 6.242) 6.878 6.525 ( -2.794 0.000 -5.079) 5.796 6.631 ( -6.105 0.000 -3.968) 7.281 6.717 ( -0.174 0.000 2.133) 2.140 7.049 ( -1.475 0.000 -3.995) 4.259 7.052 ( -3.077 0.000 4.461) 5.419 7.205 ( -4.107 0.000 1.072) 4.245 7.214 ( -2.232 0.000 2.099) 3.064 7.269 ( 1.413 0.000 -9.027) 9.137 7.532 ( 3.443 0.000 2.004) 3.984 7.840 ( 0.071 0.000 4.222) 4.222 7.985 ( -0.213 0.000 -1.502) 1.517 8.037 ( 2.329 0.000 0.147) 2.333 8.058 ( -0.287 0.000 -1.582) 1.608 8.237 ( 2.526 0.000 3.967) 4.703 8.321 ( -2.019 0.000 -4.173) 4.636 8.398 ( -4.221 0.000 -3.814) 5.689 8.403 ( 0.792 0.000 7.387) 7.429 8.445 ( -1.799 0.000 3.362) 3.813 8.533 ( 0.579 0.000 -2.133) 2.210 8.760 ( -3.990 0.000 -2.143) 4.529 8.940 ( -1.566 0.000 1.860) 2.432 9.384 ( -0.315 0.000 0.964) 1.014 9.619 ( 2.917 0.000 -0.617) 2.981 9.894 ( -0.464 0.000 -0.765) 0.895 9.974 ( -0.336 0.000 1.209) 1.254 10.383 ( 4.922 0.000 -2.998) 5.763 10.557 ( 3.888 0.000 1.787) 4.279 10.808 ( -1.003 0.000 -1.478) 1.786 10.897 ( -2.889 0.000 4.474) 5.326 10.970 ( -0.452 0.000 -4.360) 4.383 11.172 ( 2.458 0.000 6.993) 7.412 11.194 ( -0.380 0.000 4.318) 4.335 11.342 ( -3.997 0.000 1.267) 4.192 11.521 ( 6.017 0.000 -8.606) 10.501 11.628 ( 8.009 0.000 -0.430) 8.020 11.817 ( 3.867 0.000 -6.843) 7.860 11.886 ( 0.512 0.000 3.265) 3.305 12.024 ( -0.944 0.000 -2.237) 2.428 12.341 ( -10.551 0.000 9.074) 13.916 12.389 ( -4.300 0.000 0.560) 4.336 12.530 ( 1.432 0.000 -8.004) 8.131 12.801 ( 1.024 0.000 0.066) 1.026 12.825 ( 2.639 0.000 4.943) 5.603 13.073 ( 1.042 0.000 -5.058) 5.164 13.230 ( -1.466 0.000 3.197) 3.517 13.271 ( -2.950 0.000 0.107) 2.952 13.431 ( 0.824 0.000 6.620) 6.672 13.702 ( -1.169 0.000 -10.438) 10.503 13.803 ( 0.974 0.000 4.218) 4.329 15.883 ( 0.861 0.000 2.129) 2.297 15.966 ( 0.590 0.000 -1.372) 1.494 16.274 ( -3.591 0.000 0.185) 3.596 16.317 ( -2.324 0.000 -0.231) 2.336 21.241 ( -5.540 0.000 -5.850) 8.057 21.289 ( -0.556 0.000 5.309) 5.338 21.373 ( -6.435 0.000 -4.631) 7.928 21.432 ( -1.988 0.000 7.830) 8.079 22.681 ( 3.568 0.000 -1.933) 4.058 22.886 ( 3.388 0.000 0.345) 3.406 22.999 ( 1.905 0.000 -1.419) 2.376 23.012 ( -0.310 0.000 -1.552) 1.583 23.111 ( 1.840 0.000 5.457) 5.759 23.252 ( -0.832 0.000 2.167) 2.322 23.337 ( -1.053 0.000 -3.225) 3.392 23.575 ( -2.208 0.000 -1.926) 2.930 23.701 ( 0.511 0.000 0.100) 0.520 23.733 ( -0.278 0.000 -0.167) 0.324 23.889 ( -2.237 0.000 2.731) 3.530 23.898 ( -3.798 0.000 -2.214) 4.397 24.108 ( 2.222 0.000 -1.257) 2.553 24.238 ( -3.695 0.000 2.458) 4.437 24.620 ( 1.158 0.000 1.533) 1.921 24.646 ( 0.044 0.000 -2.439) 2.440 24.907 ( 0.065 0.000 0.500) 0.505 24.913 ( 1.394 0.000 -0.226) 1.412 25.221 ( 0.222 0.000 0.649) 0.686 25.237 ( 0.735 0.000 -0.974) 1.221 25.398 ( 2.331 0.000 -0.196) 2.339 25.505 ( 2.119 0.000 1.809) 2.786 26.019 ( 6.255 0.000 5.265) 8.176 26.081 ( 4.745 0.000 -8.583) 9.808 ======================= Grid point 4 (5/88) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 11.498 0.000 -0.909) 11.534 1.654 ( -1.174 0.000 -1.580) 1.968 1.761 ( 10.838 0.000 -4.297) 11.659 1.764 ( 10.792 0.000 -6.078) 12.386 1.930 ( -0.961 0.000 6.090) 6.166 2.059 ( 0.305 0.000 0.590) 0.664 2.120 ( 15.066 0.000 -0.175) 15.067 2.181 ( -10.972 0.000 2.311) 11.213 2.256 ( 0.771 0.000 -1.120) 1.360 2.396 ( -3.957 0.000 -3.395) 5.214 2.425 ( 1.867 0.000 2.938) 3.481 2.538 ( -4.247 0.000 6.490) 7.756 2.573 ( 4.149 0.000 -0.913) 4.249 2.603 ( 1.022 0.000 -2.758) 2.942 2.671 ( 1.053 0.000 -2.799) 2.991 2.736 ( -5.068 0.000 2.772) 5.777 2.815 ( -9.399 0.000 0.206) 9.401 2.904 ( -3.938 0.000 -1.319) 4.153 2.959 ( 1.299 0.000 -6.904) 7.025 3.191 ( 1.319 0.000 2.129) 2.504 3.245 ( 0.258 0.000 -0.673) 0.721 3.298 ( 0.796 0.000 7.546) 7.588 3.320 ( -1.400 0.000 3.537) 3.804 3.515 ( 7.215 0.000 3.726) 8.121 3.582 ( 5.033 0.000 -2.588) 5.659 3.615 ( 12.417 0.000 -4.051) 13.061 3.805 ( -0.682 0.000 0.588) 0.900 3.823 ( -3.336 0.000 -2.166) 3.977 3.847 ( 2.541 0.000 -0.086) 2.543 4.006 ( -1.511 0.000 0.331) 1.547 4.073 ( 2.743 0.000 -5.750) 6.371 4.107 ( 0.270 0.000 4.733) 4.741 4.326 ( 9.205 0.000 -11.365) 14.625 4.426 ( 6.451 0.000 3.017) 7.122 4.476 ( -3.667 0.000 5.651) 6.737 4.482 ( -6.918 0.000 2.795) 7.461 4.511 ( -4.362 0.000 2.181) 4.877 4.609 ( 2.141 0.000 -1.297) 2.503 4.751 ( -1.772 0.000 -1.063) 2.067 4.771 ( 3.772 0.000 1.047) 3.915 4.887 ( -0.370 0.000 2.663) 2.689 5.048 ( -7.153 0.000 -1.642) 7.340 5.144 ( -2.121 0.000 3.052) 3.717 5.290 ( 2.265 0.000 -1.042) 2.494 5.483 ( 1.361 0.000 0.974) 1.674 5.595 ( -0.866 0.000 -4.551) 4.633 5.669 ( -6.185 0.000 -0.136) 6.186 5.730 ( -3.529 0.000 -1.029) 3.676 5.880 ( -3.976 0.000 -1.169) 4.145 6.231 ( 0.822 0.000 4.528) 4.602 6.424 ( -4.020 0.000 -5.453) 6.774 6.525 ( -2.873 0.000 -2.735) 3.966 6.555 ( 1.160 0.000 3.631) 3.812 6.791 ( 5.667 0.000 2.501) 6.194 6.995 ( -1.322 0.000 -3.038) 3.313 7.035 ( -4.267 0.000 6.738) 7.976 7.130 ( -3.221 0.000 -1.819) 3.699 7.196 ( -1.397 0.000 1.722) 2.217 7.219 ( 0.450 0.000 -7.877) 7.890 7.621 ( 4.385 0.000 3.051) 5.342 7.873 ( 0.448 0.000 3.057) 3.090 7.883 ( -5.606 0.000 -5.081) 7.565 8.087 ( 2.249 0.000 1.645) 2.786 8.096 ( 2.041 0.000 1.565) 2.572 8.259 ( -1.968 0.000 -2.719) 3.357 8.294 ( -3.632 0.000 -3.862) 5.302 8.303 ( 1.603 0.000 2.920) 3.331 8.438 ( 0.256 0.000 2.149) 2.164 8.470 ( -0.203 0.000 5.153) 5.157 8.529 ( 0.422 0.000 -1.235) 1.305 8.675 ( -3.116 0.000 -3.030) 4.346 8.928 ( -0.984 0.000 1.242) 1.585 9.386 ( -0.105 0.000 0.649) 0.658 9.658 ( 1.857 0.000 -0.470) 1.916 9.888 ( 0.132 0.000 -0.429) 0.449 9.977 ( -0.209 0.000 0.687) 0.718 10.461 ( 5.278 0.000 -1.601) 5.516 10.645 ( 5.296 0.000 -0.734) 5.346 10.754 ( -3.726 0.000 -0.596) 3.773 10.863 ( -4.397 0.000 4.080) 5.998 10.971 ( 3.174 0.000 -3.306) 4.583 11.200 ( 0.825 0.000 -0.602) 1.021 11.251 ( -0.244 0.000 5.869) 5.874 11.274 ( -4.269 0.000 1.047) 4.395 11.569 ( 4.349 0.000 -3.555) 5.617 11.760 ( 5.846 0.000 0.563) 5.873 11.816 ( 0.756 0.000 -4.725) 4.785 11.934 ( 3.867 0.000 1.146) 4.033 12.019 ( 1.814 0.000 -1.805) 2.559 12.208 ( -10.685 0.000 5.778) 12.147 12.328 ( -3.151 0.000 1.256) 3.392 12.497 ( 1.086 0.000 -6.774) 6.861 12.840 ( 2.045 0.000 2.251) 3.041 12.864 ( -2.246 0.000 4.630) 5.146 13.057 ( 2.054 0.000 -4.204) 4.679 13.179 ( -4.305 0.000 -0.839) 4.386 13.268 ( 1.239 0.000 0.899) 1.531 13.499 ( 0.719 0.000 7.324) 7.359 13.627 ( 0.351 0.000 -8.429) 8.436 13.824 ( -1.126 0.000 2.423) 2.671 15.910 ( 0.795 0.000 0.981) 1.263 15.974 ( 1.164 0.000 -0.991) 1.528 16.216 ( -2.768 0.000 0.127) 2.771 16.280 ( -1.554 0.000 -0.126) 1.559 21.119 ( -3.469 0.000 -3.983) 5.282 21.262 ( -3.024 0.000 -2.853) 4.157 21.315 ( -0.245 0.000 3.360) 3.368 21.452 ( -0.867 0.000 4.000) 4.093 22.720 ( 2.245 0.000 -1.589) 2.750 22.939 ( 1.826 0.000 1.405) 2.304 22.998 ( -0.343 0.000 -0.651) 0.736 22.998 ( 0.168 0.000 -2.287) 2.293 23.223 ( 5.150 0.000 5.727) 7.702 23.253 ( -0.801 0.000 2.269) 2.406 23.293 ( -0.964 0.000 -3.062) 3.210 23.497 ( -4.575 0.000 -2.971) 5.455 23.708 ( -1.472 0.000 -0.556) 1.573 23.711 ( 0.468 0.000 0.116) 0.483 23.837 ( -1.697 0.000 -1.167) 2.059 23.864 ( -1.203 0.000 0.143) 1.212 24.168 ( 2.868 0.000 1.987) 3.489 24.198 ( -2.083 0.000 0.923) 2.279 24.631 ( -0.056 0.000 -1.778) 1.779 24.641 ( 0.370 0.000 0.576) 0.685 24.917 ( 0.490 0.000 0.243) 0.547 24.934 ( 1.006 0.000 -0.011) 1.006 25.227 ( 0.139 0.000 0.173) 0.222 25.242 ( 0.491 0.000 -0.694) 0.850 25.432 ( 1.394 0.000 0.059) 1.395 25.546 ( 1.101 0.000 1.211) 1.637 26.098 ( 2.407 0.000 -3.955) 4.630 26.129 ( 2.755 0.000 2.974) 4.054 ======================= Grid point 5 (6/88) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -0.000 0.000 0.000) 0.000 1.633 ( 0.000 0.000 0.000) 0.000 1.831 ( 0.000 0.000 0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 2.020 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 -0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.470 ( -0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 -0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.652 ( -0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 -0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.303 ( -0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 -0.000) 0.000 3.901 ( -0.000 0.000 0.000) 0.000 4.002 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.398 ( -0.000 0.000 0.000) 0.000 4.403 ( -0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 -0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.728 ( 0.000 0.000 0.000) 0.000 4.805 ( 0.000 0.000 -0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 5.141 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.509 ( -0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 6.304 ( 0.000 0.000 0.000) 0.000 6.319 ( -0.000 0.000 -0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 6.970 ( 0.000 0.000 0.000) 0.000 6.987 ( 0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.188 ( 0.000 0.000 -0.000) 0.000 7.190 ( 0.000 0.000 0.000) 0.000 7.713 ( 0.000 0.000 0.000) 0.000 7.770 ( -0.000 0.000 -0.000) 0.000 7.891 ( 0.000 0.000 0.000) 0.000 8.121 ( 0.000 0.000 0.000) 0.000 8.122 ( 0.000 0.000 0.000) 0.000 8.226 ( 0.000 0.000 0.000) 0.000 8.240 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 8.458 ( 0.000 0.000 0.000) 0.000 8.485 ( -0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.629 ( 0.000 0.000 0.000) 0.000 8.924 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 9.888 ( 0.000 0.000 0.000) 0.000 9.977 ( 0.000 0.000 0.000) 0.000 10.513 ( 0.000 0.000 0.000) 0.000 10.703 ( -0.000 0.000 0.000) 0.000 10.706 ( 0.000 0.000 0.000) 0.000 10.826 ( 0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 11.205 ( 0.000 0.000 0.000) 0.000 11.233 ( 0.000 0.000 0.000) 0.000 11.269 ( 0.000 0.000 0.000) 0.000 11.601 ( 0.000 0.000 -0.000) 0.000 11.797 ( 0.000 0.000 0.000) 0.000 11.814 ( 0.000 0.000 0.000) 0.000 12.034 ( 0.000 0.000 0.000) 0.000 12.048 ( -0.000 0.000 0.000) 0.000 12.061 ( 0.000 0.000 -0.000) 0.000 12.303 ( 0.000 0.000 0.000) 0.000 12.479 ( 0.000 0.000 0.000) 0.000 12.854 ( 0.000 0.000 0.000) 0.000 12.878 ( 0.000 0.000 0.000) 0.000 13.064 ( 0.000 0.000 0.000) 0.000 13.122 ( 0.000 0.000 0.000) 0.000 13.290 ( 0.000 0.000 0.000) 0.000 13.547 ( 0.000 0.000 -0.000) 0.000 13.587 ( 0.000 0.000 0.000) 0.000 13.819 ( 0.000 0.000 0.000) 0.000 15.922 ( 0.000 0.000 0.000) 0.000 15.983 ( 0.000 0.000 0.000) 0.000 16.190 ( -0.000 0.000 0.000) 0.000 16.265 ( 0.000 0.000 0.000) 0.000 21.072 ( 0.000 0.000 0.000) 0.000 21.224 ( 0.000 0.000 0.000) 0.000 21.326 ( 0.000 0.000 0.000) 0.000 21.459 ( 0.000 0.000 0.000) 0.000 22.735 ( 0.000 0.000 0.000) 0.000 22.968 ( 0.000 0.000 -0.000) 0.000 22.984 ( 0.000 0.000 0.000) 0.000 22.992 ( 0.000 0.000 0.000) 0.000 23.256 ( 0.000 0.000 0.000) 0.000 23.269 ( 0.000 0.000 -0.000) 0.000 23.340 ( 0.000 0.000 0.000) 0.000 23.396 ( 0.000 0.000 0.000) 0.000 23.691 ( 0.000 0.000 0.000) 0.000 23.716 ( 0.000 0.000 0.000) 0.000 23.818 ( 0.000 0.000 0.000) 0.000 23.854 ( 0.000 0.000 0.000) 0.000 24.182 ( 0.000 0.000 0.000) 0.000 24.205 ( 0.000 0.000 0.000) 0.000 24.622 ( 0.000 0.000 0.000) 0.000 24.646 ( 0.000 0.000 0.000) 0.000 24.923 ( 0.000 0.000 0.000) 0.000 24.944 ( 0.000 0.000 0.000) 0.000 25.229 ( 0.000 0.000 0.000) 0.000 25.244 ( 0.000 0.000 0.000) 0.000 25.445 ( 0.000 0.000 0.000) 0.000 25.560 ( 0.000 0.000 -0.000) 0.000 26.105 ( 0.000 0.000 0.000) 0.000 26.164 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/88) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 0.000 20.776 0.000) 20.776 0.544 ( 0.000 27.696 0.000) 27.696 0.778 ( 0.000 39.359 0.000) 39.359 1.432 ( 0.000 -2.942 0.000) 2.942 1.745 ( 0.000 -3.726 0.000) 3.726 1.894 ( 0.000 -4.580 0.000) 4.580 1.971 ( 0.000 -7.531 0.000) 7.531 2.044 ( 0.000 -3.228 0.000) 3.228 2.232 ( 0.000 3.724 0.000) 3.724 2.374 ( 0.000 -4.804 0.000) 4.804 2.395 ( 0.000 -7.692 0.000) 7.692 2.485 ( 0.000 -4.584 0.000) 4.584 2.613 ( 0.000 0.649 0.000) 0.649 2.686 ( 0.000 2.742 0.000) 2.742 2.734 ( 0.000 -3.054 0.000) 3.054 2.777 ( 0.000 -4.124 0.000) 4.124 2.903 ( 0.000 -2.805 0.000) 2.805 2.982 ( 0.000 -7.137 0.000) 7.137 3.027 ( 0.000 -3.912 0.000) 3.912 3.114 ( 0.000 3.688 0.000) 3.688 3.128 ( 0.000 0.455 0.000) 0.455 3.230 ( 0.000 6.835 0.000) 6.835 3.303 ( 0.000 -7.054 0.000) 7.054 3.388 ( 0.000 -6.115 0.000) 6.115 3.473 ( 0.000 0.919 0.000) 0.919 3.569 ( 0.000 2.071 0.000) 2.071 3.750 ( 0.000 8.962 0.000) 8.962 3.832 ( 0.000 6.153 0.000) 6.153 3.877 ( 0.000 -7.750 0.000) 7.750 3.889 ( 0.000 -2.985 0.000) 2.985 3.940 ( 0.000 -0.645 0.000) 0.645 3.995 ( 0.000 3.140 0.000) 3.140 4.064 ( 0.000 0.185 0.000) 0.185 4.243 ( 0.000 3.762 0.000) 3.762 4.302 ( 0.000 -9.643 0.000) 9.643 4.400 ( 0.000 -2.802 0.000) 2.802 4.416 ( 0.000 0.201 0.000) 0.201 4.546 ( 0.000 -6.008 0.000) 6.008 4.575 ( 0.000 5.587 0.000) 5.587 4.705 ( 0.000 -4.920 0.000) 4.920 5.060 ( 0.000 -5.075 0.000) 5.075 5.101 ( 0.000 -7.942 0.000) 7.942 5.201 ( 0.000 -4.877 0.000) 4.877 5.451 ( 0.000 -8.450 0.000) 8.450 5.538 ( 0.000 5.216 0.000) 5.216 5.713 ( 0.000 2.202 0.000) 2.202 5.785 ( 0.000 7.385 0.000) 7.385 6.133 ( 0.000 7.380 0.000) 7.380 6.205 ( 0.000 15.917 0.000) 15.917 6.280 ( 0.000 2.690 0.000) 2.690 6.641 ( 0.000 -0.550 0.000) 0.550 6.672 ( 0.000 1.958 0.000) 1.958 6.916 ( 0.000 1.364 0.000) 1.364 6.918 ( 0.000 2.927 0.000) 2.927 7.035 ( 0.000 -4.040 0.000) 4.040 7.087 ( 0.000 -4.499 0.000) 4.499 7.139 ( 0.000 -1.841 0.000) 1.841 7.311 ( 0.000 -2.472 0.000) 2.472 7.338 ( 0.000 12.581 0.000) 12.581 7.559 ( 0.000 -10.409 0.000) 10.409 7.704 ( 0.000 -5.017 0.000) 5.017 7.916 ( 0.000 4.249 0.000) 4.249 7.981 ( 0.000 1.522 0.000) 1.522 8.095 ( 0.000 -0.039 0.000) 0.039 8.144 ( 0.000 0.655 0.000) 0.655 8.429 ( 0.000 -3.389 0.000) 3.389 8.462 ( 0.000 -1.030 0.000) 1.030 8.473 ( 0.000 -7.341 0.000) 7.341 8.602 ( 0.000 4.791 0.000) 4.791 8.613 ( 0.000 2.009 0.000) 2.009 8.865 ( 0.000 -4.728 0.000) 4.728 8.961 ( 0.000 -1.556 0.000) 1.556 9.448 ( 0.000 5.020 0.000) 5.020 9.534 ( 0.000 0.621 0.000) 0.621 9.999 ( 0.000 2.710 0.000) 2.710 10.034 ( 0.000 4.093 0.000) 4.093 10.223 ( 0.000 3.948 0.000) 3.948 10.498 ( 0.000 -9.097 0.000) 9.097 10.858 ( 0.000 1.931 0.000) 1.931 11.033 ( 0.000 -9.550 0.000) 9.550 11.070 ( 0.000 8.261 0.000) 8.261 11.159 ( 0.000 0.380 0.000) 0.380 11.367 ( 0.000 -0.213 0.000) 0.213 11.439 ( 0.000 0.605 0.000) 0.605 11.445 ( 0.000 4.025 0.000) 4.025 11.653 ( 0.000 0.378 0.000) 0.378 11.802 ( 0.000 -0.722 0.000) 0.722 11.986 ( 0.000 -5.789 0.000) 5.789 12.240 ( 0.000 5.628 0.000) 5.628 12.413 ( 0.000 3.213 0.000) 3.213 12.535 ( 0.000 -2.208 0.000) 2.208 12.660 ( 0.000 0.291 0.000) 0.291 12.766 ( 0.000 -1.165 0.000) 1.165 12.903 ( 0.000 2.739 0.000) 2.739 12.939 ( 0.000 4.050 0.000) 4.050 13.163 ( 0.000 -1.639 0.000) 1.639 13.297 ( 0.000 -0.739 0.000) 0.739 13.383 ( 0.000 0.324 0.000) 0.324 13.641 ( 0.000 -2.609 0.000) 2.609 13.717 ( 0.000 -3.360 0.000) 3.360 15.839 ( 0.000 6.014 0.000) 6.014 16.199 ( 0.000 -0.707 0.000) 0.707 16.384 ( 0.000 -0.617 0.000) 0.617 16.396 ( 0.000 -0.886 0.000) 0.886 21.241 ( 0.000 0.904 0.000) 0.904 21.254 ( 0.000 1.049 0.000) 1.049 21.587 ( 0.000 5.228 0.000) 5.228 22.161 ( 0.000 -3.648 0.000) 3.648 22.586 ( 0.000 2.324 0.000) 2.324 22.803 ( 0.000 -1.078 0.000) 1.078 23.020 ( 0.000 -2.815 0.000) 2.815 23.105 ( 0.000 -5.216 0.000) 5.216 23.269 ( 0.000 1.925 0.000) 1.925 23.325 ( 0.000 -0.272 0.000) 0.272 23.343 ( 0.000 1.555 0.000) 1.555 23.378 ( 0.000 -0.539 0.000) 0.539 23.578 ( 0.000 2.865 0.000) 2.865 23.691 ( 0.000 0.521 0.000) 0.521 23.827 ( 0.000 0.009 0.000) 0.009 24.024 ( 0.000 -3.100 0.000) 3.100 24.203 ( 0.000 -0.884 0.000) 0.884 24.234 ( 0.000 -3.095 0.000) 3.095 24.403 ( 0.000 3.567 0.000) 3.567 24.813 ( 0.000 -5.532 0.000) 5.532 25.040 ( 0.000 0.863 0.000) 0.863 25.041 ( 0.000 -0.024 0.000) 0.024 25.094 ( 0.000 2.060 0.000) 2.060 25.257 ( 0.000 -2.591 0.000) 2.591 25.312 ( 0.000 2.099 0.000) 2.099 25.345 ( 0.000 4.355 0.000) 4.355 25.417 ( 0.000 3.139 0.000) 3.139 25.799 ( 0.000 -3.163 0.000) 3.163 ======================= Grid point 12 (8/88) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 9.608 13.357 9.722) 19.111 0.732 ( 20.213 13.437 10.563) 26.471 1.191 ( 28.308 24.410 5.039) 37.717 1.414 ( 4.067 -3.878 -5.954) 8.187 1.701 ( -3.428 3.310 -9.242) 10.398 1.782 ( -1.278 -9.989 -2.114) 10.290 2.026 ( -2.551 -0.021 7.802) 8.209 2.108 ( 2.840 -6.433 4.658) 8.435 2.176 ( -0.441 0.552 1.447) 1.610 2.332 ( -1.111 -3.875 0.830) 4.116 2.489 ( 1.149 -7.907 -0.456) 8.003 2.527 ( 0.697 -5.377 -3.165) 6.278 2.623 ( 3.938 -1.670 -1.596) 4.565 2.674 ( -5.770 -2.666 3.774) 7.393 2.714 ( 2.383 1.772 3.194) 4.361 2.765 ( -2.108 -5.231 -0.837) 5.701 2.890 ( 3.589 3.091 -2.652) 5.429 2.978 ( -0.317 -7.441 -0.134) 7.448 3.045 ( 0.783 -1.887 -4.442) 4.890 3.083 ( -4.618 4.978 1.735) 7.008 3.128 ( -1.472 -0.796 -7.190) 7.383 3.197 ( 2.687 -0.346 3.884) 4.735 3.340 ( 1.403 -4.705 1.745) 5.210 3.424 ( 1.280 0.389 -3.180) 3.450 3.460 ( 2.001 -2.494 -0.635) 3.260 3.542 ( -1.992 2.796 -0.458) 3.463 3.705 ( -3.750 6.897 0.516) 7.868 3.810 ( -2.194 3.200 2.905) 4.846 3.858 ( -2.551 -4.953 -0.413) 5.587 3.915 ( 4.534 -1.531 -4.387) 6.492 4.019 ( 2.078 1.618 1.557) 3.059 4.036 ( 1.520 2.720 0.562) 3.167 4.183 ( 10.661 -12.178 -3.370) 16.533 4.228 ( -4.294 -2.321 4.447) 6.603 4.324 ( 2.146 -5.408 0.101) 5.819 4.400 ( 3.129 -3.516 5.480) 7.224 4.510 ( 2.704 -0.184 -1.758) 3.231 4.560 ( 2.984 -8.901 -1.194) 9.464 4.599 ( 3.309 4.405 2.954) 6.251 4.718 ( -1.645 -3.895 6.551) 7.798 5.029 ( -0.787 -5.342 -5.227) 7.515 5.120 ( -0.824 -6.963 1.805) 7.240 5.137 ( -3.878 -1.718 0.439) 4.264 5.426 ( -2.770 -7.168 0.809) 7.728 5.555 ( 1.225 5.322 -0.939) 5.541 5.687 ( -3.954 2.437 0.818) 4.716 5.784 ( 0.301 4.248 0.992) 4.373 6.085 ( 0.231 13.604 -7.189) 15.388 6.214 ( -2.225 9.216 2.944) 9.928 6.311 ( 1.283 2.474 3.129) 4.190 6.523 ( -8.107 3.034 0.042) 8.656 6.691 ( 1.065 3.119 -4.558) 5.624 6.825 ( -5.432 0.635 0.786) 5.525 6.983 ( -2.175 1.913 0.868) 3.024 7.043 ( 1.462 -2.686 2.139) 3.732 7.074 ( -0.549 -2.647 -0.024) 2.703 7.139 ( -0.174 -5.730 0.042) 5.733 7.278 ( -3.559 -1.742 0.035) 3.963 7.357 ( 2.734 10.381 -1.368) 10.822 7.539 ( -1.554 -6.327 0.126) 6.516 7.756 ( 4.653 -5.455 0.258) 7.175 7.877 ( -2.775 6.468 -1.024) 7.112 7.976 ( 0.398 0.264 -1.512) 1.586 8.091 ( -0.004 -0.975 2.155) 2.365 8.199 ( 3.011 0.947 2.536) 4.049 8.382 ( -6.728 1.957 -1.060) 7.087 8.415 ( -2.959 -4.842 0.171) 5.677 8.471 ( -2.831 -0.599 2.235) 3.656 8.499 ( -0.296 0.441 -8.982) 8.997 8.610 ( -0.335 5.859 0.328) 5.878 8.846 ( -1.848 -4.298 -0.204) 4.683 8.963 ( -0.272 -0.953 0.629) 1.173 9.444 ( -0.258 4.422 -0.759) 4.494 9.542 ( 0.859 0.527 0.203) 1.028 9.982 ( -1.696 2.953 0.230) 3.413 10.036 ( -0.057 4.815 0.327) 4.826 10.261 ( 2.754 2.138 1.088) 3.652 10.475 ( -0.428 -5.778 -1.719) 6.044 10.907 ( 2.759 1.013 5.982) 6.665 11.004 ( -3.112 -5.751 -0.206) 6.542 11.057 ( -1.133 7.092 -0.572) 7.205 11.138 ( -2.634 1.499 -2.284) 3.795 11.268 ( -14.866 8.423 8.076) 18.899 11.406 ( -10.300 5.295 5.036) 12.629 11.464 ( 3.564 4.433 -0.514) 5.711 11.510 ( 1.584 5.525 -0.042) 5.747 11.795 ( -0.118 -1.122 -0.322) 1.173 11.901 ( 5.801 4.519 -21.051) 22.299 12.138 ( -2.443 3.333 -3.275) 5.273 12.428 ( -2.660 -2.567 1.617) 4.035 12.520 ( -2.372 -1.724 2.563) 3.895 12.645 ( 0.556 2.933 -3.343) 4.482 12.795 ( 1.692 -1.450 -0.309) 2.250 12.820 ( -2.021 8.122 -4.280) 9.400 12.988 ( 1.997 0.288 -0.594) 2.103 13.093 ( -1.338 0.515 8.752) 8.869 13.306 ( 0.255 -2.274 1.359) 2.662 13.383 ( -0.094 0.136 0.312) 0.353 13.683 ( -0.552 -4.315 1.973) 4.776 13.790 ( 5.191 -8.469 -8.191) 12.875 15.862 ( 0.288 4.648 3.770) 5.992 16.093 ( -5.629 4.940 -1.942) 7.737 16.368 ( -1.836 -0.679 0.199) 1.968 16.381 ( -1.438 -1.128 -0.099) 1.830 21.245 ( -0.733 0.770 3.837) 3.981 21.309 ( 0.118 -1.842 8.825) 9.016 21.541 ( -4.426 4.569 -1.479) 6.531 21.893 ( -18.004 7.363 -2.264) 19.583 22.604 ( 2.173 2.330 -0.259) 3.197 22.791 ( 0.736 -0.014 -2.169) 2.290 22.978 ( -3.139 9.621 1.703) 10.262 23.024 ( 0.141 -1.248 -1.517) 1.969 23.087 ( -1.485 -4.381 -0.450) 4.647 23.300 ( -0.018 3.481 -1.882) 3.957 23.376 ( 0.264 -0.643 -1.468) 1.625 23.524 ( 4.774 -0.684 1.114) 4.949 23.684 ( 0.566 -0.377 1.186) 1.368 23.709 ( 0.978 -1.518 0.697) 1.936 23.811 ( -0.230 -1.940 1.596) 2.523 24.069 ( -2.837 -5.459 -2.662) 6.704 24.241 ( -0.123 0.150 -1.647) 1.658 24.291 ( -1.204 -3.279 16.018) 16.395 24.441 ( 7.332 -0.201 -4.652) 8.685 24.729 ( -6.460 -1.470 -0.512) 6.644 24.913 ( -1.560 3.888 0.905) 4.286 25.022 ( -5.161 2.693 -0.583) 5.851 25.207 ( -1.228 -0.811 1.304) 1.966 25.210 ( 3.330 -2.914 -2.395) 5.031 25.341 ( 1.758 2.423 0.083) 2.995 25.397 ( 3.416 1.486 0.775) 3.805 25.540 ( 11.647 -2.764 0.406) 11.977 25.902 ( 12.129 -8.185 -12.861) 19.481 ======================= Grid point 13 (9/88) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 18.267 -1.707 6.793) 19.564 1.191 ( 22.271 6.296 7.687) 24.387 1.429 ( 4.260 -2.555 -10.012) 11.176 1.528 ( 7.059 -4.150 -3.108) 8.759 1.750 ( 7.159 3.152 1.014) 7.887 1.861 ( 13.877 9.368 3.189) 17.044 1.991 ( -3.058 1.976 2.885) 4.646 2.199 ( 4.762 -2.541 3.534) 6.451 2.270 ( 5.227 -1.640 3.672) 6.595 2.314 ( -4.504 -5.835 3.254) 8.057 2.416 ( -2.279 -6.028 -5.421) 8.421 2.469 ( -1.886 -4.110 -1.818) 4.874 2.607 ( -4.189 -4.586 4.647) 7.757 2.668 ( -4.680 -3.405 0.363) 5.798 2.716 ( -0.370 -3.974 -2.650) 4.791 2.810 ( 4.629 -3.734 2.716) 6.538 2.944 ( -4.903 3.634 2.131) 6.464 2.965 ( -0.740 -2.979 -0.345) 3.089 3.002 ( 4.549 -0.072 -8.764) 9.875 3.039 ( 4.674 0.064 -5.362) 7.114 3.083 ( -0.376 -2.193 -1.474) 2.669 3.230 ( 0.378 2.716 -1.348) 3.056 3.359 ( 0.532 -3.334 -1.465) 3.680 3.411 ( -0.169 1.809 -2.843) 3.374 3.490 ( 3.551 2.818 -2.482) 5.168 3.534 ( 0.078 2.949 2.365) 3.781 3.693 ( 0.727 7.153 4.000) 8.228 3.800 ( -0.795 -3.805 -0.681) 3.947 3.840 ( 1.348 -2.589 2.686) 3.966 3.954 ( 2.456 -0.555 -4.008) 4.733 4.009 ( -1.533 -2.152 0.803) 2.762 4.088 ( 1.170 0.411 3.069) 3.310 4.195 ( -1.774 -2.128 1.109) 2.984 4.283 ( 3.346 -10.399 -4.116) 11.674 4.360 ( 1.873 -1.244 2.708) 3.520 4.464 ( 0.527 -8.255 0.938) 8.325 4.547 ( 3.309 2.498 1.133) 4.298 4.631 ( 4.958 -9.412 -0.356) 10.644 4.664 ( -0.250 3.370 3.104) 4.588 4.735 ( -1.406 -1.297 5.705) 6.017 4.976 ( -0.817 -5.425 -3.094) 6.299 5.042 ( -4.499 0.581 0.291) 4.545 5.163 ( 2.176 -4.744 -0.094) 5.220 5.380 ( -2.343 -5.470 -0.130) 5.952 5.488 ( -8.289 8.657 0.493) 11.996 5.662 ( 1.974 -1.729 -2.467) 3.601 5.797 ( -0.393 1.833 1.973) 2.721 6.042 ( 0.197 12.480 -7.248) 14.434 6.160 ( -6.564 8.306 3.068) 11.022 6.313 ( -3.926 0.602 2.141) 4.512 6.448 ( -0.391 5.144 2.800) 5.870 6.642 ( -3.020 2.650 -3.672) 5.443 6.733 ( -5.238 2.179 0.724) 5.719 6.887 ( -5.522 5.415 -2.639) 8.172 7.038 ( -1.213 -3.376 0.410) 3.610 7.105 ( 0.391 -0.702 0.180) 0.823 7.148 ( 0.578 -5.828 2.227) 6.266 7.202 ( -3.990 -2.592 -0.494) 4.783 7.379 ( 1.643 6.353 -5.276) 8.421 7.533 ( -0.247 1.357 2.937) 3.244 7.823 ( 1.060 -3.058 0.875) 3.353 7.858 ( 1.850 0.146 0.343) 1.887 7.982 ( 1.144 -0.688 0.021) 1.336 8.127 ( 2.001 -0.942 1.621) 2.742 8.228 ( -2.272 3.518 -2.586) 4.922 8.286 ( -2.010 -3.026 2.424) 4.367 8.353 ( -3.365 -5.873 -1.401) 6.912 8.415 ( -1.358 1.173 -3.558) 3.986 8.483 ( -1.304 -3.921 3.392) 5.346 8.603 ( -0.473 6.730 -0.327) 6.755 8.805 ( -2.228 -2.815 -0.959) 3.716 8.957 ( -1.270 -0.188 1.369) 1.877 9.430 ( -0.621 3.520 -0.588) 3.623 9.567 ( 1.621 -0.589 0.211) 1.737 9.956 ( -1.046 4.073 -0.244) 4.212 10.031 ( -0.853 5.407 0.813) 5.534 10.314 ( 3.469 0.535 -0.999) 3.650 10.498 ( 3.979 -1.122 -0.603) 4.178 10.938 ( -4.126 1.644 1.578) 4.714 10.988 ( -5.276 5.226 1.085) 7.505 11.023 ( -1.242 1.682 0.026) 2.091 11.049 ( 2.214 2.996 6.039) 7.096 11.199 ( -1.198 2.657 4.066) 5.003 11.336 ( -1.996 -1.895 -0.853) 2.881 11.541 ( 4.156 3.843 -3.342) 6.573 11.553 ( 5.064 5.003 -1.535) 7.282 11.795 ( 1.635 -1.318 -2.405) 3.193 11.877 ( 2.702 2.430 -7.366) 8.213 12.080 ( -2.370 0.877 -1.704) 3.048 12.362 ( -6.737 -3.622 4.752) 9.005 12.498 ( -2.730 0.585 3.438) 4.429 12.619 ( 0.041 4.552 -5.312) 6.996 12.786 ( 0.456 1.963 -1.608) 2.578 12.820 ( 1.213 4.475 1.340) 4.826 13.027 ( 3.545 -2.809 -2.556) 5.195 13.172 ( 1.506 -0.928 7.123) 7.339 13.291 ( -3.761 -4.855 0.432) 6.157 13.384 ( -0.370 0.310 3.395) 3.430 13.695 ( 0.574 -5.235 -2.652) 5.896 13.759 ( -0.338 -4.673 -3.865) 6.074 15.892 ( 0.234 3.949 3.128) 5.043 16.018 ( -1.902 3.603 -1.488) 4.337 16.325 ( -3.094 -0.747 0.224) 3.191 16.346 ( -2.239 -1.317 -0.199) 2.605 21.268 ( -0.729 0.788 5.356) 5.462 21.354 ( -1.175 -1.575 3.524) 4.035 21.431 ( -6.326 2.868 0.712) 6.983 21.612 ( -12.013 3.997 -3.639) 13.173 22.652 ( 3.368 2.325 -0.722) 4.156 22.821 ( 3.472 -0.136 -0.994) 3.614 23.004 ( 1.865 5.917 1.054) 6.293 23.018 ( 0.535 -0.837 -0.687) 1.207 23.065 ( -0.946 -2.533 1.588) 3.135 23.291 ( -0.414 3.402 0.209) 3.433 23.363 ( -0.089 -0.725 -2.578) 2.680 23.587 ( 0.927 -1.489 0.042) 1.754 23.692 ( 0.227 0.047 -0.088) 0.248 23.715 ( 0.657 -0.387 0.114) 0.771 23.830 ( -0.049 -2.895 2.832) 4.050 23.993 ( -2.337 -2.438 -2.461) 4.178 24.174 ( -3.556 3.388 -4.777) 6.851 24.315 ( -3.892 2.242 7.421) 8.674 24.542 ( 4.272 -2.693 0.916) 5.132 24.648 ( -1.936 -2.088 -1.863) 3.403 24.919 ( 0.902 2.594 0.317) 2.765 24.946 ( -2.747 2.598 0.111) 3.782 25.183 ( -0.634 -1.919 -0.215) 2.032 25.242 ( 0.801 -0.529 0.014) 0.960 25.381 ( 2.659 2.394 -0.428) 3.603 25.467 ( 3.407 2.247 1.688) 4.417 25.750 ( 10.216 -7.010 1.860) 12.528 25.991 ( 7.695 -6.099 -8.955) 13.289 ======================= Grid point 14 (10/88) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 15.144 -3.985 2.067) 15.795 1.468 ( 9.030 -4.708 -5.251) 11.458 1.592 ( 17.393 4.192 0.660) 17.904 1.675 ( 9.463 -3.644 1.585) 10.263 1.855 ( 6.184 1.274 1.802) 6.566 1.912 ( -2.287 5.678 -2.583) 6.644 2.112 ( 8.113 -2.497 -1.269) 8.583 2.179 ( -4.153 -0.731 -1.878) 4.616 2.283 ( -5.905 -3.179 2.532) 7.169 2.387 ( 1.792 -4.417 3.543) 5.939 2.404 ( 0.798 -2.155 0.669) 2.394 2.470 ( 5.613 -4.319 -0.192) 7.084 2.538 ( -6.663 -2.933 -1.347) 7.404 2.637 ( 2.620 -0.914 4.032) 4.894 2.656 ( -3.569 -6.833 -2.235) 8.027 2.762 ( -7.290 1.458 -1.403) 7.566 2.903 ( -4.610 -3.431 1.648) 5.978 2.932 ( 1.271 -4.272 -5.107) 6.779 2.999 ( -3.839 -0.848 -3.295) 5.130 3.062 ( 3.837 -2.738 1.394) 4.915 3.173 ( 6.322 1.786 2.537) 7.042 3.284 ( 5.743 4.707 -1.462) 7.568 3.361 ( 1.359 -2.553 -1.673) 3.342 3.394 ( 0.918 4.144 2.313) 4.834 3.547 ( 3.902 5.602 0.392) 6.838 3.573 ( 4.605 4.251 -2.822) 6.873 3.754 ( 0.595 2.023 3.428) 4.025 3.802 ( 2.402 -3.114 2.094) 4.456 3.869 ( -0.587 0.924 -1.787) 2.095 3.972 ( 1.146 -4.786 -4.830) 6.895 4.021 ( 5.354 -4.544 1.054) 7.101 4.106 ( -1.212 -0.232 2.414) 2.711 4.176 ( -0.396 -0.662 -1.114) 1.354 4.259 ( -2.840 -9.793 -0.489) 10.209 4.409 ( -0.278 -3.616 1.564) 3.949 4.478 ( 2.313 -5.990 -0.471) 6.439 4.618 ( 2.739 1.163 1.638) 3.397 4.632 ( -2.903 -0.411 2.717) 3.997 4.738 ( 5.128 -1.204 2.255) 5.730 4.761 ( 2.649 0.957 -1.731) 3.306 4.946 ( -2.385 7.103 -2.126) 7.789 4.987 ( -1.955 -8.899 3.537) 9.773 5.195 ( 1.748 -3.709 -1.162) 4.262 5.332 ( -8.851 9.410 0.402) 12.924 5.355 ( -0.245 -5.012 0.338) 5.030 5.662 ( -0.437 -2.024 -2.915) 3.575 5.792 ( -1.539 0.264 0.931) 1.818 5.967 ( -2.935 6.768 -6.186) 9.627 6.044 ( -8.063 12.426 3.170) 15.148 6.267 ( -2.204 3.453 1.240) 4.280 6.470 ( -1.002 -0.536 1.354) 1.767 6.548 ( -4.261 1.265 -1.709) 4.762 6.664 ( -2.690 5.857 -0.090) 6.446 6.811 ( -0.575 6.448 -0.493) 6.492 7.021 ( -0.865 -1.828 -1.423) 2.473 7.076 ( -3.124 0.216 2.118) 3.780 7.154 ( -0.773 -5.387 -0.844) 5.507 7.170 ( -0.806 -0.923 2.160) 2.483 7.337 ( -0.832 4.146 -7.008) 8.185 7.565 ( 1.086 3.246 3.527) 4.915 7.846 ( 0.778 -2.598 1.343) 3.026 7.892 ( 0.894 -3.751 0.908) 3.961 8.015 ( 1.480 -2.280 1.474) 3.092 8.103 ( -4.647 2.343 -3.267) 6.145 8.210 ( 1.503 -3.385 2.396) 4.411 8.256 ( -1.900 -7.328 -2.163) 7.874 8.291 ( -1.883 -3.750 -1.531) 4.466 8.388 ( -0.233 -2.427 -1.164) 2.702 8.492 ( -1.642 -0.138 5.811) 6.041 8.593 ( -0.071 7.321 -0.519) 7.340 8.757 ( -1.880 -0.434 -1.818) 2.651 8.941 ( -1.705 -0.123 1.755) 2.450 9.418 ( -0.372 2.732 -0.189) 2.764 9.598 ( 1.705 -1.909 0.014) 2.559 9.943 ( -0.096 5.021 -0.555) 5.052 10.023 ( -0.740 4.737 0.920) 4.882 10.382 ( 5.298 0.901 -1.547) 5.593 10.586 ( 5.771 1.549 -0.253) 5.980 10.869 ( -5.863 5.881 1.365) 8.416 10.905 ( -1.628 -2.025 -1.343) 2.925 11.003 ( -0.049 4.140 -1.769) 4.502 11.169 ( 2.062 -0.686 8.708) 8.975 11.220 ( 0.789 1.542 2.054) 2.687 11.294 ( -2.888 -2.734 0.840) 4.065 11.554 ( 3.372 3.949 -7.329) 8.982 11.668 ( 7.323 3.241 -0.203) 8.011 11.825 ( 3.487 -0.212 -2.518) 4.307 11.872 ( 0.574 -0.272 -2.188) 2.278 12.032 ( -1.613 0.477 -0.891) 1.903 12.273 ( -7.730 -3.500 5.859) 10.312 12.466 ( -4.007 4.668 3.588) 7.121 12.576 ( 0.855 4.586 -7.883) 9.160 12.795 ( 0.883 0.375 0.755) 1.221 12.869 ( 1.498 3.343 3.709) 5.213 13.052 ( 1.702 -2.419 -4.394) 5.297 13.210 ( -1.512 -3.531 1.912) 4.291 13.222 ( -3.036 -2.572 1.596) 4.287 13.420 ( -0.053 -1.145 6.299) 6.403 13.629 ( -0.144 -6.518 -9.735) 11.716 13.777 ( -0.046 -3.048 3.758) 4.839 15.918 ( 0.551 3.308 1.920) 3.865 15.992 ( -0.019 2.379 -1.390) 2.755 16.267 ( -3.478 -0.665 0.160) 3.545 16.303 ( -2.329 -1.354 -0.199) 2.701 21.252 ( -4.946 1.032 -4.987) 7.099 21.307 ( -0.986 1.749 4.504) 4.931 21.367 ( -5.467 -0.427 -1.854) 5.789 21.447 ( -3.946 0.953 4.356) 5.955 22.705 ( 3.245 2.289 -1.174) 4.141 22.880 ( 3.127 -0.710 0.209) 3.214 22.999 ( 0.212 0.179 -2.395) 2.411 23.036 ( -0.256 1.266 -0.141) 1.299 23.110 ( 2.899 0.806 5.009) 5.843 23.285 ( -0.905 2.955 1.112) 3.284 23.334 ( -0.569 -0.461 -3.334) 3.413 23.566 ( -2.124 -1.281 -0.976) 2.666 23.691 ( -0.113 -0.762 -0.249) 0.809 23.730 ( 0.465 -0.148 0.106) 0.499 23.842 ( -0.248 -1.241 0.688) 1.441 23.952 ( -2.707 0.889 0.560) 2.904 24.093 ( -0.392 1.151 -3.741) 3.933 24.295 ( -2.825 4.339 4.128) 6.622 24.601 ( 1.516 -2.100 1.345) 2.918 24.616 ( -0.146 -2.835 -2.451) 3.751 24.919 ( -0.128 1.523 -0.279) 1.554 24.945 ( 1.027 2.786 0.830) 3.083 25.179 ( 0.345 -2.904 -0.506) 2.968 25.250 ( 0.150 -0.191 0.022) 0.244 25.422 ( 2.219 2.298 -0.365) 3.216 25.537 ( 2.759 3.297 1.994) 4.739 25.908 ( 6.547 -8.962 0.178) 11.100 26.056 ( 4.848 -3.785 -2.984) 6.836 ======================= Grid point 15 (11/88) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 11.749 -2.069 0.234) 11.932 1.621 ( 9.063 -3.248 -3.101) 10.115 1.754 ( 3.190 -2.003 -0.902) 3.873 1.798 ( 1.345 3.078 -5.582) 6.515 1.923 ( 4.845 -3.388 7.414) 9.482 1.984 ( 4.610 0.911 0.011) 4.699 2.123 ( -8.831 -6.570 0.046) 11.007 2.182 ( 7.158 -1.064 -4.038) 8.287 2.218 ( 2.343 2.831 -0.906) 3.785 2.329 ( -3.552 -3.627 -2.061) 5.479 2.419 ( -0.528 -2.770 2.667) 3.881 2.512 ( 0.806 -6.179 0.879) 6.293 2.563 ( 3.492 -4.370 -1.560) 5.807 2.598 ( -1.318 -6.055 -0.653) 6.231 2.653 ( 0.688 -0.386 -3.351) 3.443 2.699 ( -2.452 7.103 7.259) 10.448 2.807 ( -6.371 -3.089 0.345) 7.089 2.881 ( -5.528 0.842 -1.961) 5.926 2.900 ( -1.527 -5.299 -3.141) 6.347 3.125 ( 0.776 -3.481 1.513) 3.874 3.260 ( 0.598 -2.018 3.582) 4.154 3.305 ( -0.700 2.702 -0.019) 2.792 3.399 ( 1.352 0.820 2.030) 2.573 3.495 ( 4.875 2.148 6.065) 8.073 3.622 ( 4.393 4.109 -2.122) 6.379 3.706 ( 10.867 4.886 -3.014) 12.290 3.737 ( -1.634 -4.540 -1.223) 4.978 3.843 ( -0.101 2.758 -1.262) 3.035 3.875 ( 2.586 2.156 0.234) 3.375 3.954 ( 1.152 -6.018 -2.454) 6.600 4.096 ( -1.413 -0.672 1.627) 2.257 4.097 ( -1.913 -0.344 1.268) 2.320 4.170 ( 2.173 -7.830 -3.844) 8.989 4.222 ( 0.688 -9.310 -0.358) 9.343 4.376 ( -4.029 -4.974 3.217) 7.164 4.540 ( 4.932 -4.719 -0.077) 6.826 4.637 ( 3.578 5.916 -0.303) 6.920 4.676 ( 1.966 -1.056 0.586) 2.307 4.787 ( 0.457 1.575 -1.095) 1.972 4.829 ( 4.012 6.250 -2.073) 7.710 4.886 ( -3.664 -2.281 4.374) 6.145 4.978 ( -2.496 0.346 1.257) 2.816 5.187 ( -6.693 5.591 1.411) 8.834 5.216 ( 0.634 -1.320 -0.751) 1.646 5.382 ( 3.219 -4.225 -0.597) 5.345 5.601 ( -4.573 -2.118 -0.732) 5.093 5.757 ( -2.179 1.320 -0.768) 2.661 5.868 ( -3.055 0.023 -3.945) 4.990 5.954 ( -3.971 19.102 1.838) 19.596 6.260 ( 0.091 2.764 2.656) 3.835 6.406 ( -3.834 -0.802 -3.956) 5.567 6.495 ( -1.824 -0.050 0.212) 1.837 6.634 ( -0.770 5.114 0.181) 5.175 6.857 ( 3.595 5.055 2.178) 6.575 6.975 ( -1.500 -1.926 -2.955) 3.833 7.069 ( -1.884 1.520 6.812) 7.229 7.130 ( -2.037 -0.374 -0.351) 2.101 7.166 ( 0.641 -0.413 -1.214) 1.434 7.258 ( -2.084 2.424 -6.214) 6.988 7.628 ( 2.891 1.189 4.321) 5.333 7.835 ( -1.944 -5.587 -4.533) 7.453 7.912 ( 0.030 2.909 3.291) 4.392 8.001 ( -3.265 -6.263 0.618) 7.090 8.054 ( 0.814 -4.069 0.632) 4.198 8.196 ( -1.332 -5.857 -2.032) 6.341 8.218 ( -1.405 -4.728 -2.414) 5.491 8.304 ( 2.313 -1.377 1.380) 3.025 8.382 ( 0.214 -4.090 -0.086) 4.097 8.495 ( -2.370 0.575 3.893) 4.594 8.596 ( 0.555 7.469 -0.226) 7.493 8.717 ( -1.002 2.241 -1.636) 2.950 8.926 ( -1.176 -0.459 1.278) 1.796 9.414 ( -0.054 2.288 0.007) 2.288 9.623 ( 1.074 -2.915 -0.070) 3.107 9.942 ( 0.283 5.258 -0.418) 5.282 10.019 ( -0.387 4.155 0.543) 4.208 10.472 ( 5.484 1.571 -0.748) 5.753 10.684 ( 5.039 1.918 -0.402) 5.407 10.776 ( -4.289 3.342 -1.040) 5.536 10.874 ( -2.554 0.105 1.584) 3.007 11.005 ( 2.037 3.295 -2.219) 4.464 11.194 ( -3.140 -5.295 1.522) 6.341 11.254 ( 0.980 3.951 1.120) 4.222 11.275 ( -1.065 0.589 4.504) 4.665 11.572 ( 3.440 1.469 -4.133) 5.574 11.784 ( 4.714 1.998 -0.066) 5.120 11.837 ( 0.435 1.418 -3.758) 4.040 11.904 ( 4.877 -2.108 0.118) 5.314 12.018 ( -0.011 -0.412 0.350) 0.540 12.171 ( -8.178 -2.266 3.957) 9.364 12.420 ( -2.977 7.331 1.780) 8.110 12.533 ( 0.511 3.694 -6.601) 7.582 12.831 ( 1.152 -0.035 3.515) 3.699 12.898 ( -1.270 2.607 3.608) 4.629 13.043 ( 1.653 -1.794 -3.834) 4.544 13.155 ( -4.578 -2.480 -1.466) 5.409 13.225 ( 1.800 -3.587 1.258) 4.206 13.467 ( -0.057 -3.417 5.922) 6.838 13.579 ( 1.313 -4.061 -6.901) 8.114 13.783 ( -1.577 -4.181 2.119) 4.945 15.939 ( 0.553 2.714 0.891) 2.909 15.992 ( 0.820 1.733 -0.899) 2.118 16.212 ( -2.612 -0.436 0.109) 2.651 16.267 ( -1.535 -1.320 -0.111) 2.028 21.132 ( -3.544 1.321 -3.940) 5.461 21.258 ( -3.245 -0.416 -2.894) 4.368 21.332 ( -0.236 1.570 3.465) 3.812 21.451 ( -0.932 -0.143 3.911) 4.023 22.745 ( 2.092 2.358 -1.029) 3.315 22.927 ( 1.794 -1.159 0.633) 2.228 22.988 ( -0.005 0.179 -0.871) 0.889 23.021 ( -0.803 0.944 -0.828) 1.490 23.201 ( 2.666 -1.206 3.628) 4.661 23.277 ( -0.898 1.772 1.330) 2.391 23.308 ( 1.004 0.873 -2.639) 2.956 23.508 ( -3.322 0.649 -1.221) 3.599 23.690 ( 0.375 -0.386 -0.245) 0.591 23.731 ( -0.334 0.848 -0.092) 0.916 23.835 ( -0.483 0.116 -0.499) 0.704 23.893 ( -2.877 2.408 -0.322) 3.765 24.102 ( 1.418 -2.326 -0.145) 2.728 24.287 ( -0.830 5.213 2.507) 5.844 24.598 ( -0.212 -3.047 -1.606) 3.451 24.624 ( 0.486 -2.068 0.411) 2.163 24.923 ( 0.472 1.026 -0.054) 1.131 24.967 ( 0.808 2.887 0.424) 3.028 25.184 ( 0.451 -3.294 -0.434) 3.353 25.250 ( -0.039 -0.343 -0.075) 0.354 25.451 ( 1.197 2.018 -0.154) 2.352 25.589 ( 1.556 4.213 1.370) 4.695 25.986 ( 3.046 -8.846 -1.314) 9.448 26.114 ( 2.438 -3.418 0.334) 4.212 ======================= Grid point 16 (12/88) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.000 -2.052 0.000) 2.052 1.680 ( 0.000 4.062 0.000) 4.062 1.721 ( 0.000 -6.522 0.000) 6.522 1.832 ( 0.000 -3.958 0.000) 3.958 1.992 ( -0.000 2.855 0.000) 2.855 2.000 ( 0.000 -3.060 -0.000) 3.060 2.049 ( 0.000 -2.883 0.000) 2.883 2.199 ( 0.000 -2.568 0.000) 2.568 2.277 ( 0.000 -1.731 0.000) 1.731 2.297 ( -0.000 -3.799 0.000) 3.799 2.456 ( -0.000 -3.291 0.000) 3.291 2.501 ( 0.000 -7.751 0.000) 7.751 2.572 ( 0.000 5.912 0.000) 5.912 2.584 ( 0.000 -4.840 0.000) 4.840 2.678 ( 0.000 -0.440 0.000) 0.440 2.727 ( -0.000 2.564 0.000) 2.564 2.735 ( 0.000 3.799 -0.000) 3.799 2.784 ( 0.000 -5.293 0.000) 5.293 2.875 ( 0.000 -5.286 0.000) 5.286 3.129 ( 0.000 -3.997 0.000) 3.997 3.271 ( 0.000 -2.741 -0.000) 2.741 3.299 ( 0.000 2.055 0.000) 2.055 3.420 ( 0.000 2.644 0.000) 2.644 3.581 ( 0.000 -1.047 0.000) 1.047 3.667 ( 0.000 3.133 -0.000) 3.133 3.681 ( -0.000 -3.432 0.000) 3.432 3.815 ( 0.000 -1.183 0.000) 1.183 3.841 ( 0.000 11.319 0.000) 11.319 3.895 ( 0.000 2.906 -0.000) 2.906 3.983 ( 0.000 -11.427 0.000) 11.427 4.063 ( 0.000 -1.469 0.000) 1.469 4.099 ( 0.000 -7.369 0.000) 7.369 4.106 ( -0.000 -0.424 0.000) 0.424 4.307 ( 0.000 -10.237 0.000) 10.237 4.312 ( 0.000 -4.806 0.000) 4.806 4.621 ( 0.000 -1.093 0.000) 1.093 4.684 ( 0.000 3.256 0.000) 3.256 4.701 ( 0.000 -2.629 0.000) 2.629 4.772 ( 0.000 8.254 0.000) 8.254 4.837 ( 0.000 0.398 -0.000) 0.398 4.873 ( 0.000 -3.106 0.000) 3.106 4.953 ( 0.000 9.901 0.000) 9.901 5.120 ( 0.000 4.711 0.000) 4.711 5.227 ( 0.000 -3.084 -0.000) 3.084 5.432 ( -0.000 -3.798 0.000) 3.798 5.533 ( 0.000 -2.755 0.000) 2.755 5.729 ( 0.000 2.607 0.000) 2.607 5.824 ( 0.000 -1.158 0.000) 1.158 5.927 ( 0.000 20.063 -0.000) 20.063 6.309 ( 0.000 -0.770 0.000) 0.770 6.316 ( -0.000 2.469 -0.000) 2.469 6.478 ( 0.000 0.315 0.000) 0.315 6.631 ( 0.000 3.704 0.000) 3.704 6.907 ( 0.000 0.474 0.000) 0.474 6.953 ( 0.000 -0.680 0.000) 0.680 7.084 ( 0.000 5.070 0.000) 5.070 7.098 ( 0.000 3.058 0.000) 3.058 7.185 ( -0.000 -0.509 -0.000) 0.509 7.192 ( 0.000 -0.248 0.000) 0.248 7.721 ( 0.000 0.492 0.000) 0.492 7.739 ( -0.000 -3.047 -0.000) 3.047 7.933 ( 0.000 3.605 0.000) 3.605 7.975 ( 0.000 -10.971 0.000) 10.971 8.065 ( 0.000 -5.447 0.000) 5.447 8.178 ( 0.000 -4.967 0.000) 4.967 8.189 ( 0.000 -4.481 0.000) 4.481 8.335 ( 0.000 -1.013 0.000) 1.013 8.388 ( 0.000 -5.024 0.000) 5.024 8.481 ( 0.000 1.065 0.000) 1.065 8.601 ( 0.000 7.344 0.000) 7.344 8.702 ( 0.000 3.464 0.000) 3.464 8.920 ( 0.000 -0.644 0.000) 0.644 9.414 ( 0.000 2.143 0.000) 2.143 9.633 ( 0.000 -3.294 0.000) 3.294 9.944 ( 0.000 5.252 0.000) 5.252 10.017 ( 0.000 3.984 0.000) 3.984 10.531 ( 0.000 1.898 0.000) 1.898 10.708 ( 0.000 0.083 0.000) 0.083 10.753 ( -0.000 4.437 0.000) 4.437 10.846 ( 0.000 1.258 -0.000) 1.258 11.024 ( 0.000 2.917 0.000) 2.917 11.157 ( 0.000 -6.261 0.000) 6.261 11.269 ( 0.000 4.866 -0.000) 4.866 11.283 ( 0.000 1.064 0.000) 1.064 11.593 ( 0.000 0.190 0.000) 0.190 11.806 ( 0.000 1.005 0.000) 1.005 11.837 ( 0.000 1.198 0.000) 1.198 12.004 ( -0.000 -2.646 0.000) 2.646 12.019 ( 0.000 -1.184 -0.000) 1.184 12.065 ( 0.000 0.097 0.000) 0.097 12.399 ( 0.000 8.054 0.000) 8.054 12.510 ( 0.000 3.147 0.000) 3.147 12.860 ( 0.000 0.691 0.000) 0.691 12.901 ( 0.000 2.398 0.000) 2.398 13.048 ( 0.000 -2.135 0.000) 2.135 13.091 ( 0.000 -3.101 0.000) 3.101 13.253 ( 0.000 -2.982 0.000) 2.982 13.492 ( 0.000 -5.219 0.000) 5.219 13.565 ( 0.000 -2.100 0.000) 2.100 13.772 ( 0.000 -4.617 0.000) 4.617 15.948 ( 0.000 2.483 0.000) 2.483 15.998 ( 0.000 1.464 0.000) 1.464 16.187 ( 0.000 -0.281 0.000) 0.281 16.252 ( 0.000 -1.297 0.000) 1.297 21.085 ( 0.000 1.272 0.000) 1.272 21.218 ( 0.000 -0.622 0.000) 0.622 21.343 ( 0.000 1.609 0.000) 1.609 21.458 ( 0.000 -0.180 0.000) 0.180 22.760 ( 0.000 2.466 0.000) 2.466 22.947 ( 0.000 -1.501 0.000) 1.501 22.988 ( 0.000 0.399 0.000) 0.399 23.005 ( 0.000 0.680 0.000) 0.680 23.230 ( 0.000 -2.356 0.000) 2.356 23.275 ( 0.000 1.290 0.000) 1.290 23.331 ( 0.000 -0.375 0.000) 0.375 23.457 ( 0.000 3.778 0.000) 3.778 23.696 ( 0.000 0.455 0.000) 0.455 23.724 ( 0.000 0.810 0.000) 0.810 23.826 ( 0.000 0.787 0.000) 0.787 23.867 ( 0.000 1.578 0.000) 1.578 24.114 ( 0.000 -2.616 0.000) 2.616 24.292 ( 0.000 5.047 0.000) 5.047 24.589 ( 0.000 -3.165 0.000) 3.165 24.629 ( 0.000 -2.023 0.000) 2.023 24.928 ( 0.000 0.902 0.000) 0.902 24.976 ( 0.000 2.899 0.000) 2.899 25.186 ( 0.000 -3.359 0.000) 3.359 25.249 ( 0.000 -0.439 0.000) 0.439 25.461 ( 0.000 1.874 0.000) 1.874 25.608 ( 0.000 4.577 -0.000) 4.577 26.007 ( 0.000 -8.447 0.000) 8.447 26.137 ( 0.000 -3.615 0.000) 3.615 ======================= Grid point 22 (13/88) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 20.160 0.000) 20.160 1.082 ( 0.000 27.204 0.000) 27.204 1.389 ( 0.000 -2.080 0.000) 2.080 1.481 ( 0.000 26.897 0.000) 26.897 1.624 ( 0.000 -2.629 0.000) 2.629 1.777 ( 0.000 -7.956 0.000) 7.956 1.951 ( 0.000 5.054 0.000) 5.054 1.953 ( 0.000 -7.203 0.000) 7.203 2.128 ( 0.000 -15.921 0.000) 15.921 2.142 ( 0.000 -14.046 0.000) 14.046 2.325 ( 0.000 2.045 0.000) 2.045 2.447 ( 0.000 -0.097 0.000) 0.097 2.607 ( 0.000 -2.290 0.000) 2.290 2.626 ( 0.000 -0.168 0.000) 0.168 2.688 ( 0.000 -3.438 0.000) 3.438 2.736 ( 0.000 0.508 0.000) 0.508 2.853 ( 0.000 -2.660 0.000) 2.660 2.881 ( 0.000 -9.119 0.000) 9.119 2.971 ( 0.000 0.992 0.000) 0.992 3.091 ( 0.000 -5.036 0.000) 5.036 3.117 ( 0.000 -0.494 0.000) 0.494 3.229 ( 0.000 -2.524 0.000) 2.524 3.345 ( 0.000 4.762 0.000) 4.762 3.393 ( 0.000 3.797 0.000) 3.797 3.557 ( 0.000 7.411 0.000) 7.411 3.604 ( 0.000 2.662 0.000) 2.662 3.715 ( 0.000 -6.751 0.000) 6.751 3.775 ( 0.000 -13.043 0.000) 13.043 3.857 ( 0.000 0.262 0.000) 0.262 3.873 ( 0.000 -4.818 0.000) 4.818 3.887 ( 0.000 -7.890 0.000) 7.890 3.900 ( 0.000 -1.557 0.000) 1.557 4.099 ( 0.000 6.384 0.000) 6.384 4.234 ( 0.000 4.345 0.000) 4.345 4.342 ( 0.000 6.124 0.000) 6.124 4.345 ( 0.000 -1.764 0.000) 1.764 4.403 ( 0.000 -0.510 0.000) 0.510 4.581 ( 0.000 6.709 0.000) 6.709 4.606 ( 0.000 -4.941 0.000) 4.941 4.684 ( 0.000 3.185 0.000) 3.185 4.901 ( 0.000 -9.916 0.000) 9.916 5.002 ( 0.000 -0.010 0.000) 0.010 5.042 ( 0.000 -10.492 0.000) 10.492 5.274 ( 0.000 -9.275 0.000) 9.275 5.687 ( 0.000 7.882 0.000) 7.882 5.775 ( 0.000 3.185 0.000) 3.185 5.933 ( 0.000 7.326 0.000) 7.326 6.166 ( 0.000 -4.140 0.000) 4.140 6.378 ( 0.000 8.214 0.000) 8.214 6.508 ( 0.000 13.075 0.000) 13.075 6.628 ( 0.000 -1.063 0.000) 1.063 6.758 ( 0.000 5.624 0.000) 5.624 6.890 ( 0.000 -6.340 0.000) 6.340 6.931 ( 0.000 -1.466 0.000) 1.466 6.995 ( 0.000 -1.444 0.000) 1.444 7.007 ( 0.000 -0.437 0.000) 0.437 7.146 ( 0.000 3.286 0.000) 3.286 7.195 ( 0.000 -8.876 0.000) 8.876 7.419 ( 0.000 -1.041 0.000) 1.041 7.614 ( 0.000 -3.995 0.000) 3.995 7.621 ( 0.000 13.095 0.000) 13.095 7.972 ( 0.000 2.197 0.000) 2.197 7.992 ( 0.000 -3.440 0.000) 3.440 8.070 ( 0.000 -2.025 0.000) 2.025 8.169 ( 0.000 2.290 0.000) 2.290 8.339 ( 0.000 -5.484 0.000) 5.484 8.390 ( 0.000 0.987 0.000) 0.987 8.457 ( 0.000 0.468 0.000) 0.468 8.623 ( 0.000 -1.048 0.000) 1.048 8.653 ( 0.000 -1.634 0.000) 1.634 8.795 ( 0.000 -0.182 0.000) 0.182 8.907 ( 0.000 -3.570 0.000) 3.570 9.513 ( 0.000 1.370 0.000) 1.370 9.530 ( 0.000 -0.856 0.000) 0.856 10.077 ( 0.000 4.543 0.000) 4.543 10.124 ( 0.000 3.826 0.000) 3.826 10.303 ( 0.000 3.360 0.000) 3.360 10.369 ( 0.000 -3.874 0.000) 3.874 10.879 ( 0.000 -5.018 0.000) 5.018 10.893 ( 0.000 0.286 0.000) 0.286 11.046 ( 0.000 -0.894 0.000) 0.894 11.262 ( 0.000 -7.540 0.000) 7.540 11.352 ( 0.000 10.575 0.000) 10.575 11.493 ( 0.000 2.233 0.000) 2.233 11.519 ( 0.000 3.246 0.000) 3.246 11.643 ( 0.000 -1.888 0.000) 1.888 11.797 ( 0.000 0.551 0.000) 0.551 11.889 ( 0.000 -4.088 0.000) 4.088 12.337 ( 0.000 4.259 0.000) 4.259 12.463 ( 0.000 -1.265 0.000) 1.265 12.520 ( 0.000 3.817 0.000) 3.817 12.704 ( 0.000 4.271 0.000) 4.271 12.726 ( 0.000 -3.433 0.000) 3.433 12.910 ( 0.000 -2.750 0.000) 2.750 13.022 ( 0.000 4.099 0.000) 4.099 13.124 ( 0.000 -1.867 0.000) 1.867 13.343 ( 0.000 5.604 0.000) 5.604 13.393 ( 0.000 1.231 0.000) 1.231 13.557 ( 0.000 -5.628 0.000) 5.628 13.625 ( 0.000 -5.990 0.000) 5.990 15.978 ( 0.000 7.422 0.000) 7.422 16.174 ( 0.000 -2.113 0.000) 2.113 16.370 ( 0.000 -0.755 0.000) 0.755 16.374 ( 0.000 -1.151 0.000) 1.151 21.262 ( 0.000 1.035 0.000) 1.035 21.272 ( 0.000 0.666 0.000) 0.666 21.725 ( 0.000 8.409 0.000) 8.409 22.056 ( 0.000 -6.971 0.000) 6.971 22.646 ( 0.000 3.631 0.000) 3.631 22.772 ( 0.000 -2.167 0.000) 2.167 22.966 ( 0.000 -2.070 0.000) 2.070 23.010 ( 0.000 -4.136 0.000) 4.136 23.293 ( 0.000 0.837 0.000) 0.837 23.318 ( 0.000 -0.473 0.000) 0.473 23.370 ( 0.000 0.929 0.000) 0.929 23.375 ( 0.000 0.148 0.000) 0.148 23.635 ( 0.000 2.629 0.000) 2.629 23.695 ( 0.000 -0.344 0.000) 0.344 23.839 ( 0.000 1.399 0.000) 1.399 23.951 ( 0.000 -3.931 0.000) 3.931 24.181 ( 0.000 -1.140 0.000) 1.140 24.183 ( 0.000 -1.852 0.000) 1.852 24.483 ( 0.000 4.598 0.000) 4.598 24.695 ( 0.000 -6.062 0.000) 6.062 25.047 ( 0.000 0.517 0.000) 0.517 25.053 ( 0.000 0.403 0.000) 0.403 25.135 ( 0.000 2.005 0.000) 2.005 25.212 ( 0.000 -2.113 0.000) 2.113 25.367 ( 0.000 3.267 0.000) 3.267 25.451 ( 0.000 0.186 0.000) 0.186 25.455 ( 0.000 6.575 0.000) 6.575 25.712 ( 0.000 -5.574 0.000) 5.574 ======================= Grid point 23 (14/88) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 3.946 18.475 1.718) 18.970 1.079 ( 2.171 21.283 9.613) 23.454 1.372 ( 5.225 -1.971 -13.141) 14.279 1.535 ( 0.151 5.824 3.084) 6.592 1.716 ( 1.015 -1.530 -6.040) 6.313 1.812 ( 15.319 13.978 4.543) 21.230 1.910 ( 0.159 -10.539 2.885) 10.927 2.051 ( -1.886 0.086 7.219) 7.461 2.106 ( 1.259 -6.590 2.854) 7.292 2.188 ( 2.114 -13.014 0.731) 13.204 2.330 ( 1.728 -5.409 -3.409) 6.623 2.383 ( -6.454 -1.603 0.539) 6.672 2.586 ( 5.403 -2.184 -3.628) 6.865 2.616 ( -6.050 -4.457 3.451) 8.269 2.716 ( -2.731 0.860 1.251) 3.125 2.731 ( 1.281 -1.070 3.925) 4.266 2.857 ( 1.357 -3.557 -1.968) 4.286 2.956 ( 6.456 -1.385 -1.829) 6.852 2.968 ( 0.845 -1.617 -1.814) 2.573 3.092 ( 1.540 0.552 -7.881) 8.049 3.142 ( 2.160 -4.101 0.991) 4.739 3.192 ( -2.100 2.257 -4.185) 5.198 3.310 ( 0.195 1.456 2.093) 2.557 3.432 ( 2.540 -0.376 -1.919) 3.206 3.541 ( -1.158 8.705 1.287) 8.876 3.582 ( -1.020 1.976 -2.482) 3.332 3.704 ( -0.060 -6.405 0.544) 6.429 3.793 ( 0.595 -3.899 0.676) 4.001 3.841 ( -0.701 -1.976 0.444) 2.143 3.881 ( 1.607 -4.768 -2.110) 5.455 3.942 ( 2.365 -4.956 3.132) 6.322 3.976 ( 5.013 -9.720 1.164) 10.998 4.073 ( -1.384 4.146 -0.881) 4.459 4.180 ( -5.259 3.991 2.976) 7.241 4.352 ( -0.814 2.808 5.354) 6.101 4.369 ( 0.663 0.323 0.629) 0.969 4.400 ( 1.176 -3.672 -2.790) 4.759 4.605 ( 3.447 7.154 -2.677) 8.380 4.640 ( 1.730 -4.363 3.638) 5.938 4.698 ( 1.213 2.910 1.894) 3.678 4.862 ( -2.655 -8.247 -2.211) 8.942 5.019 ( 2.128 -2.501 -2.392) 4.063 5.069 ( 2.444 -6.256 1.450) 6.872 5.266 ( -1.421 -8.437 1.209) 8.641 5.685 ( -0.421 7.135 0.143) 7.149 5.761 ( -1.484 3.873 -1.587) 4.441 5.898 ( -3.418 6.687 0.784) 7.551 6.154 ( -1.732 -4.914 -0.543) 5.239 6.374 ( -1.119 7.591 1.270) 7.777 6.490 ( -1.840 12.910 -0.311) 13.044 6.585 ( -2.812 2.288 -1.853) 4.072 6.744 ( -2.249 2.966 0.477) 3.753 6.871 ( -2.030 -0.225 -0.045) 2.042 6.933 ( -0.161 -5.786 0.664) 5.826 6.991 ( -0.286 0.136 -0.300) 0.436 7.014 ( 0.975 -2.830 -1.518) 3.356 7.140 ( -0.015 3.859 -0.366) 3.876 7.176 ( -2.262 -7.777 0.221) 8.103 7.417 ( 0.336 -0.891 -1.174) 1.512 7.597 ( -1.611 4.334 6.035) 7.603 7.688 ( 4.881 3.520 -2.342) 6.457 7.950 ( -1.854 1.756 -0.051) 2.554 7.995 ( 1.169 -0.558 -3.000) 3.267 8.065 ( -0.260 -1.635 0.828) 1.852 8.176 ( -0.869 -2.522 2.224) 3.473 8.296 ( -4.037 -6.548 -0.876) 7.742 8.351 ( -3.225 0.737 -0.571) 3.357 8.459 ( -1.575 0.735 2.022) 2.666 8.557 ( -3.328 1.435 -4.398) 5.699 8.669 ( 0.627 -1.822 0.303) 1.951 8.793 ( -0.278 1.063 0.201) 1.117 8.919 ( 0.940 -3.268 0.108) 3.402 9.504 ( -0.666 1.476 -0.628) 1.736 9.534 ( 0.047 -1.103 0.694) 1.304 10.069 ( -0.598 5.118 0.096) 5.154 10.131 ( 0.721 3.793 0.045) 3.862 10.330 ( 1.311 2.950 1.074) 3.402 10.390 ( 4.036 -1.975 -1.482) 4.731 10.872 ( 0.862 -4.149 -3.563) 5.536 10.926 ( 1.643 -0.942 4.016) 4.440 11.038 ( -0.937 -0.825 0.978) 1.586 11.222 ( -2.683 -5.905 -1.599) 6.680 11.324 ( -3.326 9.617 -1.162) 10.242 11.484 ( -5.289 1.979 3.661) 6.730 11.547 ( 2.631 3.046 0.089) 4.026 11.599 ( -0.465 1.273 0.241) 1.377 11.790 ( -1.827 1.207 3.228) 3.900 11.904 ( 2.942 -2.846 -5.295) 6.692 12.259 ( -4.976 6.491 -5.810) 10.033 12.415 ( -5.447 -1.295 1.122) 5.710 12.515 ( -0.364 3.156 1.005) 3.332 12.717 ( 2.897 0.189 -2.799) 4.033 12.741 ( 0.743 0.848 0.547) 1.253 12.918 ( 1.830 -1.008 -1.748) 2.724 13.031 ( -1.188 4.514 -1.264) 4.836 13.089 ( -2.107 -0.598 5.526) 5.945 13.289 ( -3.784 1.793 -1.322) 4.391 13.393 ( -0.644 1.232 1.578) 2.103 13.583 ( 0.551 -5.822 1.125) 5.956 13.636 ( 1.585 -7.278 -2.236) 7.777 15.982 ( -0.216 6.661 1.391) 6.808 16.137 ( -2.947 -0.060 -1.257) 3.204 16.352 ( -1.973 -0.904 0.071) 2.171 16.354 ( -1.900 -1.319 -0.063) 2.314 21.267 ( -0.627 1.254 3.548) 3.815 21.296 ( 0.322 -0.235 4.253) 4.272 21.659 ( -6.134 7.040 -2.116) 9.574 21.910 ( -12.499 -3.610 -3.888) 13.578 22.665 ( 2.023 3.586 -0.003) 4.117 22.776 ( 1.294 -1.428 -0.916) 2.134 22.975 ( 0.885 -1.849 0.048) 2.050 23.005 ( -0.399 -3.444 0.627) 3.524 23.175 ( -2.817 8.316 -1.647) 8.933 23.351 ( 0.761 0.889 -2.408) 2.678 23.367 ( 0.027 0.357 -1.479) 1.522 23.473 ( 4.500 -4.328 3.232) 7.030 23.670 ( 1.582 -0.031 2.221) 2.726 23.694 ( -0.339 -0.474 0.458) 0.741 23.812 ( -0.824 1.559 -1.221) 2.145 23.956 ( -0.352 -5.582 -2.700) 6.211 24.231 ( 3.060 -0.990 4.695) 5.691 24.239 ( 2.674 -1.454 4.952) 5.813 24.485 ( 1.534 3.728 -2.844) 4.934 24.660 ( -3.108 -4.513 -0.966) 5.564 24.993 ( -2.025 3.804 0.574) 4.348 25.073 ( -3.801 1.962 0.564) 4.315 25.144 ( 3.976 -2.664 -1.860) 5.135 25.185 ( -2.320 -1.728 0.276) 2.906 25.395 ( 2.440 2.925 -0.089) 3.810 25.465 ( 1.993 3.491 1.469) 4.280 25.516 ( 6.018 0.996 -1.219) 6.221 25.760 ( 5.902 -6.985 -2.980) 9.618 ======================= Grid point 24 (15/88) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 6.221 12.335 6.505) 15.270 1.277 ( 9.423 1.289 1.599) 9.645 1.440 ( 11.180 4.780 -3.707) 12.711 1.541 ( 4.431 4.778 -2.706) 7.056 1.779 ( 7.934 2.038 -2.829) 8.666 1.945 ( 2.455 -6.031 -0.528) 6.533 2.015 ( -0.188 0.401 6.364) 6.380 2.070 ( -1.860 -14.379 0.535) 14.508 2.201 ( 6.128 2.894 6.999) 9.742 2.233 ( 2.782 -2.087 -2.916) 4.539 2.278 ( -1.200 -8.059 6.208) 10.243 2.393 ( 1.480 -3.963 -1.292) 4.424 2.542 ( -0.534 -0.482 1.094) 1.309 2.639 ( -4.095 0.793 -2.597) 4.913 2.656 ( -1.263 -1.346 -1.925) 2.667 2.735 ( -1.124 -3.876 2.539) 4.768 2.852 ( -0.276 -3.881 -1.930) 4.343 2.970 ( 1.002 -2.493 -0.827) 2.811 3.007 ( 0.381 0.489 -7.906) 7.930 3.104 ( -4.564 3.883 3.437) 6.908 3.114 ( 7.754 3.530 -5.091) 9.925 3.198 ( 4.587 -3.502 -3.356) 6.676 3.335 ( 1.040 1.170 -1.592) 2.233 3.484 ( 3.490 5.408 -2.719) 6.987 3.547 ( 3.880 3.413 -1.278) 5.323 3.603 ( 3.899 3.317 2.871) 5.869 3.698 ( -3.955 -3.738 4.541) 7.088 3.788 ( -1.561 0.868 2.732) 3.264 3.843 ( 0.647 -4.770 -0.801) 4.880 3.896 ( 2.862 -1.667 -3.140) 4.564 3.973 ( -0.705 -1.820 1.004) 2.195 4.029 ( 1.861 -12.142 -0.088) 12.284 4.070 ( 0.664 -2.206 -0.179) 2.310 4.145 ( -1.304 -0.197 2.094) 2.475 4.361 ( -3.347 0.128 5.623) 6.544 4.377 ( 0.155 -1.162 0.257) 1.200 4.426 ( 3.733 -6.305 -0.732) 7.363 4.642 ( 1.198 5.315 1.117) 5.561 4.707 ( 3.701 -2.302 0.826) 4.437 4.759 ( 3.117 3.988 1.392) 5.250 4.807 ( -1.176 -5.613 0.507) 5.758 5.041 ( 4.178 -2.135 -7.586) 8.920 5.123 ( 1.507 -2.415 2.573) 3.837 5.248 ( -1.782 -7.124 2.125) 7.645 5.657 ( -4.111 6.871 -0.713) 8.038 5.698 ( -2.558 5.475 -0.984) 6.123 5.850 ( -2.563 3.595 0.155) 4.417 6.082 ( -6.008 -5.446 -0.167) 8.111 6.355 ( -1.198 6.384 -0.448) 6.511 6.444 ( -3.293 13.316 0.598) 13.730 6.531 ( -2.329 3.190 -1.025) 4.080 6.681 ( -4.803 2.609 0.004) 5.466 6.830 ( -2.892 4.089 1.249) 5.161 6.918 ( -1.645 -6.367 -0.279) 6.582 6.995 ( 1.514 1.207 -0.684) 2.053 7.008 ( 0.340 -2.589 -2.883) 3.890 7.112 ( -4.124 -5.886 -0.218) 7.190 7.166 ( 1.235 2.674 2.106) 3.621 7.410 ( 0.150 -0.062 -2.426) 2.431 7.637 ( -0.265 3.551 7.358) 8.174 7.727 ( 1.460 0.328 -2.775) 3.152 7.911 ( -2.274 2.429 0.462) 3.359 7.996 ( 0.639 0.598 -2.336) 2.495 8.086 ( 2.060 -3.105 0.605) 3.775 8.148 ( -3.278 -6.294 -0.029) 7.096 8.223 ( -3.035 -5.653 -0.203) 6.420 8.282 ( -3.588 -0.818 -1.370) 3.927 8.377 ( -6.848 -2.589 -0.863) 7.372 8.525 ( 0.887 4.930 0.590) 5.044 8.679 ( 0.474 -0.984 0.013) 1.092 8.786 ( -0.588 2.799 -0.233) 2.869 8.929 ( -0.221 -2.654 0.594) 2.729 9.484 ( -0.797 1.858 -0.838) 2.188 9.542 ( 0.261 -1.719 0.758) 1.897 10.064 ( 0.025 5.994 -0.053) 5.995 10.139 ( -0.299 4.083 0.326) 4.107 10.363 ( 2.944 3.599 -0.449) 4.672 10.487 ( 6.618 -0.157 -0.100) 6.621 10.858 ( 0.657 -3.106 -3.518) 4.739 10.986 ( 0.958 -3.804 1.389) 4.162 11.045 ( 0.536 1.052 4.295) 4.455 11.170 ( -2.041 -3.971 -1.750) 4.795 11.226 ( -5.090 8.554 -0.283) 9.958 11.381 ( -6.913 2.846 3.623) 8.308 11.617 ( 5.353 3.171 -0.829) 6.277 11.649 ( 4.031 3.183 -0.659) 5.178 11.781 ( -1.462 1.257 2.667) 3.291 11.901 ( 1.660 -1.142 -6.235) 6.552 12.133 ( -4.302 4.886 -4.033) 7.658 12.311 ( -7.410 -2.735 2.717) 8.353 12.534 ( 0.854 4.220 2.872) 5.175 12.736 ( 0.637 6.839 -4.219) 8.061 12.763 ( 2.690 -3.461 -0.567) 4.420 12.947 ( 2.508 -2.529 -1.881) 4.028 12.975 ( -2.393 6.758 -0.432) 7.182 13.141 ( 0.755 -2.121 5.105) 5.580 13.209 ( -4.417 -2.445 0.917) 5.131 13.388 ( -2.195 -1.301 2.834) 3.813 13.557 ( -0.469 -6.377 -6.509) 9.124 13.661 ( 0.578 -5.380 3.404) 6.392 15.989 ( -0.318 5.260 1.635) 5.518 16.077 ( -2.290 1.839 -1.302) 3.213 16.306 ( -3.078 -1.059 0.100) 3.256 16.313 ( -2.532 -1.770 -0.055) 3.089 21.289 ( -0.671 1.318 5.031) 5.244 21.333 ( -0.208 -0.842 4.237) 4.325 21.506 ( -8.294 4.479 -2.251) 9.691 21.643 ( -12.391 -0.880 -5.130) 13.440 22.711 ( 2.854 3.404 0.209) 4.447 22.809 ( 2.788 -1.126 -0.352) 3.027 22.993 ( 1.108 -0.955 -0.133) 1.469 23.017 ( 0.071 -2.101 2.928) 3.604 23.149 ( 0.742 7.586 -2.200) 7.933 23.339 ( 0.183 -1.711 -3.819) 4.189 23.362 ( -0.194 3.487 0.528) 3.532 23.528 ( 0.003 -4.472 1.135) 4.614 23.690 ( -0.288 -0.125 0.270) 0.414 23.703 ( 1.223 -0.343 0.487) 1.360 23.815 ( 1.206 0.978 0.693) 1.700 23.924 ( -0.083 -3.982 -2.677) 4.799 24.245 ( -1.105 3.412 -1.876) 4.048 24.340 ( -0.172 -0.408 8.884) 8.895 24.504 ( 2.895 -0.279 -2.661) 3.942 24.596 ( -2.666 -3.061 -1.194) 4.232 24.983 ( -0.098 3.628 0.034) 3.630 25.008 ( -2.934 3.489 1.201) 4.714 25.141 ( -1.187 -2.375 -1.409) 3.006 25.198 ( 1.573 -3.638 0.555) 4.002 25.440 ( 2.822 3.339 -0.508) 4.401 25.537 ( 3.929 3.597 2.482) 5.877 25.628 ( 7.324 -3.530 -1.726) 8.311 25.851 ( 6.377 -7.797 -2.570) 10.395 ======================= Grid point 25 (16/88) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 11.511 3.630 4.225) 12.788 1.411 ( 8.118 -1.921 0.412) 8.353 1.648 ( 7.124 3.092 -3.315) 8.444 1.678 ( 11.959 3.969 2.751) 12.897 1.905 ( 7.747 1.268 -4.064) 8.840 1.948 ( -1.751 -3.827 -4.947) 6.495 1.988 ( 4.135 -5.975 -0.289) 7.272 2.159 ( 7.194 -5.872 1.669) 9.435 2.203 ( -8.885 -2.014 6.242) 11.044 2.283 ( 2.117 -6.004 1.109) 6.462 2.293 ( 0.313 -4.886 0.147) 4.898 2.398 ( 0.965 -1.723 -0.811) 2.134 2.510 ( -7.336 1.236 -1.677) 7.627 2.548 ( -2.758 -2.443 -2.754) 4.600 2.621 ( 0.189 -2.330 -3.551) 4.252 2.743 ( 1.165 -3.454 2.613) 4.485 2.830 ( -1.698 -3.733 0.154) 4.104 2.929 ( -2.539 -1.190 -2.644) 3.854 3.009 ( -3.598 3.202 2.732) 5.537 3.048 ( 0.709 2.614 0.012) 2.709 3.202 ( 3.829 0.790 0.415) 3.932 3.265 ( 4.038 -4.739 -1.676) 6.448 3.343 ( 1.260 2.770 -2.469) 3.918 3.525 ( 0.603 5.320 1.454) 5.548 3.613 ( 3.370 -1.444 -0.596) 3.714 3.680 ( 0.910 4.198 2.618) 5.031 3.706 ( 4.869 5.676 1.385) 7.605 3.780 ( 0.172 -2.601 -2.237) 3.435 3.850 ( 0.552 -4.802 -0.440) 4.854 3.953 ( 5.241 -1.535 -0.022) 5.462 3.983 ( 1.625 4.111 0.357) 4.435 4.040 ( -1.840 -8.188 3.472) 9.082 4.095 ( 2.413 -5.133 -2.444) 6.176 4.136 ( -0.133 -4.915 0.716) 4.968 4.325 ( -4.011 -2.527 3.802) 6.077 4.379 ( 0.257 -1.718 -0.481) 1.802 4.505 ( 5.151 -7.174 -1.449) 8.949 4.672 ( 1.106 3.699 1.056) 4.003 4.742 ( -0.708 -5.079 1.630) 5.381 4.801 ( 4.201 7.444 -0.491) 8.562 4.890 ( 6.141 -1.970 2.722) 7.000 5.043 ( 2.749 2.221 -7.514) 8.304 5.161 ( 1.041 -1.034 1.653) 2.210 5.240 ( -1.143 -6.349 2.538) 6.932 5.544 ( -6.345 9.438 -1.043) 11.420 5.666 ( -1.870 3.779 0.084) 4.217 5.790 ( -4.145 -0.143 -0.766) 4.218 5.959 ( -7.024 -3.810 -0.337) 7.998 6.329 ( -0.843 4.548 -1.459) 4.850 6.389 ( -3.584 14.938 1.166) 15.406 6.471 ( -3.635 0.929 -0.997) 3.882 6.597 ( -4.214 4.630 0.303) 6.268 6.783 ( -3.358 3.185 0.895) 4.714 6.911 ( 1.675 0.445 -0.291) 1.757 6.974 ( -1.988 -1.158 -2.828) 3.645 7.033 ( -2.408 -3.985 0.495) 4.682 7.036 ( 1.179 -4.421 0.567) 4.610 7.208 ( 1.216 2.623 2.299) 3.694 7.381 ( -0.938 2.312 -3.505) 4.302 7.670 ( -1.833 5.760 4.948) 7.811 7.715 ( -0.361 -6.172 -1.225) 6.303 7.886 ( -2.463 -1.901 3.135) 4.417 7.968 ( -0.677 -1.773 -3.504) 3.985 8.067 ( -3.958 -4.861 -0.077) 6.269 8.137 ( -2.893 -3.338 -1.513) 4.669 8.164 ( 0.738 0.276 0.269) 0.833 8.231 ( -0.671 -3.228 -2.236) 3.984 8.289 ( -1.453 -6.004 0.262) 6.183 8.551 ( 0.003 4.891 2.936) 5.705 8.688 ( 0.611 0.064 -0.041) 0.616 8.770 ( -0.621 3.657 -0.898) 3.816 8.920 ( -1.346 -2.277 0.856) 2.780 9.468 ( -0.404 2.242 -0.619) 2.361 9.553 ( 0.436 -2.431 0.605) 2.543 10.067 ( 0.219 6.441 -0.194) 6.447 10.127 ( -1.051 4.490 0.299) 4.621 10.434 ( 5.241 4.281 -0.490) 6.785 10.601 ( 5.758 -0.557 0.526) 5.809 10.847 ( 1.232 -1.440 -3.756) 4.208 10.960 ( -3.840 0.657 1.181) 4.071 11.070 ( -1.306 1.961 -2.341) 3.322 11.127 ( -1.122 -3.413 2.657) 4.469 11.219 ( 2.272 2.105 2.646) 4.074 11.311 ( -3.633 1.352 3.058) 4.938 11.674 ( 1.682 6.843 -3.727) 7.971 11.729 ( 6.075 2.667 -0.223) 6.638 11.801 ( 1.874 -1.065 2.262) 3.125 11.877 ( 0.557 -0.638 -5.222) 5.290 12.052 ( -2.948 2.277 -0.675) 3.785 12.208 ( -6.558 -3.640 3.386) 8.230 12.573 ( 0.167 6.699 3.537) 7.577 12.697 ( -0.115 7.146 -6.897) 9.932 12.802 ( 1.542 -0.760 0.672) 1.846 12.935 ( -1.493 -1.163 0.783) 2.048 12.978 ( 1.170 0.014 -1.180) 1.661 13.138 ( -1.607 -2.200 2.155) 3.474 13.182 ( -2.411 -2.084 1.682) 3.603 13.359 ( -1.570 -6.909 1.008) 7.156 13.518 ( 0.955 -1.768 -4.083) 4.551 13.685 ( -1.004 -5.960 3.140) 6.811 15.995 ( -0.092 4.080 1.154) 4.241 16.042 ( -0.790 2.178 -1.004) 2.525 16.250 ( -3.205 -0.956 0.073) 3.345 16.268 ( -2.411 -1.991 -0.074) 3.128 21.279 ( -3.990 1.605 -3.217) 5.370 21.333 ( -1.464 -0.209 -0.064) 1.480 21.375 ( -5.824 2.056 2.371) 6.615 21.452 ( -5.207 -0.597 2.010) 5.613 22.762 ( 2.569 3.206 0.266) 4.117 22.858 ( 2.507 -1.493 0.381) 2.943 23.006 ( 0.458 0.563 -0.600) 0.942 23.037 ( -0.488 -0.740 2.439) 2.595 23.162 ( 1.924 3.870 -0.791) 4.394 23.305 ( -0.459 -2.227 -4.223) 4.796 23.358 ( -0.484 3.857 0.051) 3.887 23.515 ( -1.490 -3.694 0.611) 4.030 23.691 ( 0.366 0.812 -0.146) 0.902 23.726 ( 1.030 -0.406 0.123) 1.114 23.841 ( 0.701 0.857 0.481) 1.207 23.920 ( 0.414 -2.769 -0.090) 2.801 24.186 ( -2.180 7.136 -3.463) 8.226 24.372 ( -1.732 2.731 6.022) 6.836 24.528 ( 1.506 -4.569 -3.371) 5.874 24.559 ( -1.101 -2.972 1.094) 3.353 24.963 ( -0.597 2.898 -0.596) 3.018 25.013 ( 0.658 3.840 1.953) 4.358 25.118 ( -0.164 -2.904 -1.444) 3.247 25.217 ( 0.188 -3.239 0.583) 3.297 25.483 ( 2.395 3.821 -0.571) 4.546 25.626 ( 3.459 4.703 3.201) 6.658 25.733 ( 5.992 -7.114 -2.461) 9.622 25.939 ( 4.821 -7.504 -0.826) 8.958 ======================= Grid point 26 (17/88) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 10.735 -0.240 1.575) 10.853 1.584 ( 9.792 -1.166 0.553) 9.876 1.654 ( -1.968 -4.518 -3.761) 6.199 1.819 ( 1.958 -3.245 -5.131) 6.378 1.907 ( 1.477 2.397 3.041) 4.144 1.979 ( -6.437 -3.131 1.843) 7.392 2.055 ( 5.070 1.755 0.776) 5.421 2.162 ( 7.397 -0.704 -2.255) 7.765 2.259 ( -0.482 0.658 -3.727) 3.815 2.284 ( 1.209 -9.885 -0.924) 10.002 2.335 ( 2.615 1.889 -0.183) 3.231 2.398 ( -0.946 -4.811 1.424) 5.105 2.448 ( 1.704 1.143 0.674) 2.160 2.508 ( 2.236 -5.660 -2.067) 6.427 2.589 ( 0.865 -4.999 -2.160) 5.514 2.719 ( -6.307 -4.353 0.272) 7.668 2.797 ( -1.604 -0.548 2.093) 2.693 2.894 ( -5.909 7.008 2.877) 9.607 2.926 ( -1.167 0.303 0.561) 1.329 3.072 ( -0.861 -1.703 1.294) 2.306 3.224 ( -1.587 -1.269 1.071) 2.297 3.318 ( 0.050 -2.032 -1.204) 2.362 3.347 ( 1.713 -1.384 1.392) 2.605 3.529 ( 1.238 -7.875 1.961) 8.210 3.659 ( 0.783 2.390 -0.038) 2.515 3.702 ( -0.937 -4.492 -4.398) 6.356 3.730 ( 1.331 3.597 -2.869) 4.790 3.827 ( 3.947 5.208 0.443) 6.550 3.888 ( 4.395 0.655 1.097) 4.577 4.020 ( 2.280 3.783 -0.239) 4.424 4.031 ( -2.021 -3.035 4.875) 6.088 4.068 ( 1.938 -4.205 2.478) 5.252 4.081 ( 2.290 -4.175 -1.155) 4.900 4.134 ( -2.896 0.137 -1.303) 3.178 4.287 ( -2.241 -0.094 1.362) 2.624 4.427 ( 7.352 -5.966 -2.613) 9.822 4.566 ( 2.774 -7.278 -1.661) 7.964 4.651 ( -4.187 -4.931 0.553) 6.493 4.794 ( 5.701 4.559 1.321) 7.419 4.878 ( 3.398 6.630 0.886) 7.502 4.993 ( 0.999 0.594 0.359) 1.217 5.064 ( 6.101 5.368 -2.981) 8.656 5.184 ( 0.240 -0.731 2.005) 2.148 5.238 ( -0.893 -4.454 0.746) 4.603 5.441 ( -3.849 8.266 -0.495) 9.132 5.596 ( -6.985 5.185 0.622) 8.721 5.729 ( -0.631 -4.139 -1.050) 4.316 5.843 ( -5.298 -2.572 -0.842) 5.949 6.309 ( -0.473 2.322 -0.246) 2.382 6.341 ( -2.325 18.400 0.655) 18.557 6.404 ( -2.450 0.051 -1.551) 2.900 6.542 ( -2.512 5.099 0.868) 5.750 6.740 ( -1.389 4.468 -0.139) 4.681 6.888 ( -4.199 -3.598 -1.755) 5.802 6.959 ( 3.115 0.129 -1.397) 3.416 7.002 ( -1.909 -6.451 3.092) 7.404 7.095 ( 4.034 -0.963 0.055) 4.148 7.228 ( -1.269 0.673 1.815) 2.314 7.334 ( -0.977 8.393 -3.264) 9.058 7.660 ( -1.340 0.793 2.073) 2.592 7.698 ( -1.359 -5.772 0.250) 5.935 7.844 ( -3.329 -9.938 -0.385) 10.488 7.948 ( -1.813 -0.684 2.927) 3.510 8.003 ( -0.973 1.469 -1.348) 2.218 8.084 ( -1.625 -5.961 0.584) 6.206 8.135 ( -1.372 -2.448 -5.124) 5.842 8.254 ( 2.402 -2.849 0.519) 3.762 8.304 ( 1.404 -3.596 0.669) 3.918 8.559 ( -1.207 5.211 2.424) 5.872 8.700 ( 0.647 0.864 0.028) 1.080 8.757 ( -0.094 3.722 -0.904) 3.831 8.901 ( -1.236 -2.272 0.607) 2.657 9.460 ( -0.108 2.402 -0.263) 2.419 9.564 ( 0.307 -2.960 0.341) 2.995 10.067 ( 0.064 6.416 -0.199) 6.419 10.114 ( -0.598 4.401 0.185) 4.445 10.527 ( 5.100 3.920 -0.055) 6.433 10.682 ( 2.447 -1.869 0.576) 3.133 10.846 ( 2.146 1.752 -4.639) 5.404 10.896 ( -4.648 3.394 3.598) 6.788 11.036 ( 0.961 -1.987 -4.498) 5.010 11.103 ( -3.332 -2.428 2.048) 4.604 11.291 ( 2.044 0.782 3.372) 4.020 11.302 ( -0.131 1.429 2.444) 2.835 11.663 ( 0.703 6.873 -3.339) 7.673 11.820 ( 3.263 1.154 -1.331) 3.708 11.834 ( -0.047 -1.281 -1.029) 1.644 11.882 ( 4.564 -0.838 -0.550) 4.673 12.018 ( -1.315 1.210 1.667) 2.443 12.126 ( -5.267 -2.612 2.017) 6.216 12.581 ( -1.146 8.860 1.651) 9.085 12.636 ( -0.936 6.594 -5.900) 8.898 12.836 ( 1.095 -0.164 2.880) 3.086 12.934 ( -0.666 -2.864 3.890) 4.877 12.976 ( 0.549 -1.599 -2.803) 3.273 13.084 ( -5.034 -4.202 -1.439) 6.713 13.185 ( 2.548 0.428 0.669) 2.669 13.362 ( 0.487 -6.761 0.663) 6.811 13.518 ( 0.844 -1.147 -1.191) 1.856 13.671 ( -2.101 -6.675 1.437) 7.144 16.003 ( 0.138 3.335 0.565) 3.385 16.032 ( 0.153 1.916 -0.575) 2.007 16.201 ( -2.234 -0.616 0.045) 2.317 16.232 ( -1.537 -2.063 -0.053) 2.574 21.167 ( -3.625 2.076 -3.757) 5.618 21.242 ( -3.524 -1.287 -3.165) 4.908 21.371 ( -0.442 2.289 3.725) 4.394 21.442 ( -0.969 -0.901 3.794) 4.018 22.803 ( 1.744 3.224 0.282) 3.677 22.899 ( 1.542 -1.683 0.667) 2.378 23.001 ( -0.263 1.006 -0.693) 1.250 23.030 ( -1.114 -0.041 -0.066) 1.116 23.193 ( 0.982 0.533 0.799) 1.374 23.272 ( -0.288 -2.117 -2.282) 3.126 23.356 ( 0.723 3.794 -0.539) 3.900 23.496 ( -1.075 -2.145 0.532) 2.458 23.700 ( 0.729 1.146 -0.120) 1.363 23.738 ( 0.176 -0.245 -0.054) 0.307 23.847 ( 0.082 1.162 -0.078) 1.168 23.913 ( -1.349 -1.068 0.265) 1.741 24.145 ( -0.157 7.322 -1.744) 7.529 24.383 ( -0.986 4.245 3.682) 5.705 24.510 ( -0.065 -5.974 -2.873) 6.630 24.563 ( -0.124 -3.831 1.074) 3.981 24.960 ( 0.278 2.678 -0.279) 2.707 25.039 ( 0.646 4.104 1.247) 4.337 25.110 ( 0.220 -3.754 -1.072) 3.910 25.219 ( -0.167 -2.901 0.312) 2.922 25.513 ( 1.332 4.326 -0.330) 4.539 25.697 ( 1.923 6.146 2.521) 6.915 25.797 ( 3.252 -9.152 -2.190) 9.956 26.003 ( 2.541 -7.293 0.073) 7.724 ======================= Grid point 27 (18/88) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 -1.860 0.000) 1.860 1.597 ( 0.000 -5.573 0.000) 5.573 1.727 ( -0.000 -4.928 0.000) 4.928 1.749 ( 0.000 1.461 0.000) 1.461 1.886 ( 0.000 -5.001 0.000) 5.001 1.964 ( 0.000 0.041 0.000) 0.041 2.113 ( 0.000 1.701 0.000) 1.701 2.218 ( -0.000 -0.588 0.000) 0.588 2.255 ( 0.000 3.214 0.000) 3.214 2.271 ( 0.000 1.780 0.000) 1.780 2.370 ( -0.000 -3.449 0.000) 3.449 2.390 ( 0.000 -2.275 -0.000) 2.275 2.463 ( 0.000 -6.511 0.000) 6.511 2.576 ( 0.000 -4.310 0.000) 4.310 2.606 ( 0.000 -7.996 0.000) 7.996 2.639 ( 0.000 -7.007 -0.000) 7.007 2.770 ( 0.000 4.556 0.000) 4.556 2.842 ( 0.000 7.934 0.000) 7.934 2.923 ( 0.000 3.833 0.000) 3.833 3.066 ( 0.000 -2.796 -0.000) 2.796 3.187 ( 0.000 -4.013 0.000) 4.013 3.314 ( 0.000 -0.851 0.000) 0.851 3.378 ( 0.000 -2.751 0.000) 2.751 3.559 ( 0.000 -11.326 0.000) 11.326 3.649 ( 0.000 -11.467 -0.000) 11.467 3.663 ( 0.000 4.194 0.000) 4.194 3.749 ( 0.000 5.038 0.000) 5.038 3.851 ( 0.000 3.455 -0.000) 3.455 3.975 ( 0.000 1.874 0.000) 1.874 4.018 ( 0.000 -0.537 0.000) 0.537 4.021 ( 0.000 -1.874 -0.000) 1.874 4.067 ( 0.000 4.858 0.000) 4.858 4.102 ( 0.000 0.394 -0.000) 0.394 4.123 ( 0.000 -5.685 0.000) 5.685 4.273 ( 0.000 2.078 0.000) 2.078 4.546 ( 0.000 -8.983 -0.000) 8.983 4.547 ( -0.000 -6.288 0.000) 6.288 4.595 ( 0.000 -5.764 0.000) 5.764 4.907 ( 0.000 6.898 0.000) 6.898 4.925 ( 0.000 6.304 0.000) 6.304 4.932 ( -0.000 5.137 0.000) 5.137 5.155 ( -0.000 2.457 0.000) 2.457 5.182 ( 0.000 -1.235 0.000) 1.235 5.217 ( 0.000 2.298 0.000) 2.298 5.435 ( -0.000 -1.905 0.000) 1.905 5.489 ( 0.000 9.088 -0.000) 9.088 5.734 ( 0.000 -2.971 0.000) 2.971 5.780 ( 0.000 -3.150 0.000) 3.150 6.308 ( 0.000 1.233 0.000) 1.233 6.322 ( 0.000 19.465 -0.000) 19.465 6.372 ( 0.000 1.089 0.000) 1.089 6.523 ( 0.000 4.702 0.000) 4.702 6.732 ( 0.000 6.808 0.000) 6.808 6.835 ( 0.000 -6.744 0.000) 6.744 6.984 ( 0.000 1.530 -0.000) 1.530 6.998 ( -0.000 -8.795 0.000) 8.795 7.163 ( -0.000 -1.399 0.000) 1.399 7.190 ( 0.000 -0.186 0.000) 0.186 7.315 ( 0.000 12.948 -0.000) 12.948 7.659 ( 0.000 -4.152 0.000) 4.152 7.683 ( 0.000 -5.251 -0.000) 5.251 7.803 ( 0.000 -7.147 0.000) 7.147 7.939 ( 0.000 -4.334 -0.000) 4.334 8.005 ( 0.000 3.066 0.000) 3.066 8.077 ( 0.000 -5.377 -0.000) 5.377 8.092 ( 0.000 -3.815 0.000) 3.815 8.280 ( 0.000 -2.778 0.000) 2.778 8.322 ( 0.000 -2.696 0.000) 2.696 8.555 ( 0.000 5.647 0.000) 5.647 8.706 ( 0.000 1.157 0.000) 1.157 8.753 ( 0.000 3.631 0.000) 3.631 8.891 ( 0.000 -2.350 0.000) 2.350 9.459 ( 0.000 2.416 0.000) 2.416 9.568 ( 0.000 -3.156 0.000) 3.156 10.067 ( 0.000 6.292 0.000) 6.292 10.109 ( 0.000 4.317 0.000) 4.317 10.583 ( 0.000 3.209 0.000) 3.209 10.697 ( 0.000 -1.474 -0.000) 1.474 10.853 ( -0.000 5.220 0.000) 5.220 10.865 ( 0.000 1.014 -0.000) 1.014 11.032 ( 0.000 -5.393 0.000) 5.393 11.072 ( 0.000 0.246 0.000) 0.246 11.314 ( 0.000 1.886 0.000) 1.886 11.324 ( 0.000 0.821 -0.000) 0.821 11.657 ( 0.000 6.001 0.000) 6.001 11.813 ( 0.000 -0.943 0.000) 0.943 11.851 ( 0.000 0.901 0.000) 0.901 11.942 ( -0.000 -3.459 0.000) 3.459 12.027 ( 0.000 1.422 -0.000) 1.422 12.062 ( 0.000 -0.320 0.000) 0.320 12.575 ( 0.000 9.398 -0.000) 9.398 12.601 ( 0.000 6.127 0.000) 6.127 12.867 ( 0.000 -1.317 0.000) 1.317 12.952 ( 0.000 -4.570 0.000) 4.570 12.966 ( 0.000 0.438 0.000) 0.438 13.017 ( 0.000 -3.290 0.000) 3.290 13.219 ( 0.000 0.222 0.000) 0.222 13.370 ( 0.000 -6.426 0.000) 6.426 13.522 ( 0.000 -1.555 0.000) 1.555 13.653 ( 0.000 -6.891 0.000) 6.891 16.006 ( 0.000 3.089 0.000) 3.089 16.032 ( 0.000 1.695 0.000) 1.695 16.180 ( 0.000 -0.395 0.000) 0.395 16.217 ( 0.000 -2.084 0.000) 2.084 21.119 ( 0.000 2.096 0.000) 2.096 21.198 ( 0.000 -1.464 0.000) 1.464 21.382 ( 0.000 2.199 0.000) 2.199 21.448 ( 0.000 -0.860 0.000) 0.860 22.821 ( 0.000 3.388 0.000) 3.388 22.916 ( 0.000 -1.605 0.000) 1.605 22.998 ( 0.000 0.557 -0.000) 0.557 23.012 ( 0.000 0.072 0.000) 0.072 23.202 ( 0.000 -0.358 0.000) 0.358 23.262 ( 0.000 -2.237 0.000) 2.237 23.366 ( 0.000 3.525 0.000) 3.525 23.487 ( 0.000 -0.892 0.000) 0.892 23.709 ( 0.000 0.830 0.000) 0.830 23.736 ( 0.000 0.031 0.000) 0.031 23.847 ( 0.000 1.341 -0.000) 1.341 23.898 ( 0.000 0.207 0.000) 0.207 24.141 ( 0.000 6.547 0.000) 6.547 24.389 ( 0.000 4.803 -0.000) 4.803 24.497 ( 0.000 -6.555 0.000) 6.555 24.565 ( 0.000 -4.167 0.000) 4.167 24.962 ( 0.000 2.581 0.000) 2.581 25.050 ( 0.000 4.498 0.000) 4.498 25.108 ( 0.000 -4.352 0.000) 4.352 25.219 ( 0.000 -2.781 0.000) 2.781 25.524 ( 0.000 4.546 0.000) 4.546 25.724 ( 0.000 6.993 -0.000) 6.993 25.817 ( 0.000 -10.022 0.000) 10.022 26.026 ( 0.000 -7.252 0.000) 7.252 ======================= Grid point 33 (19/88) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.000 -17.137 0.000) 17.137 1.183 ( 0.000 17.137 0.000) 17.137 1.580 ( 0.000 -19.850 0.000) 19.850 1.580 ( 0.000 19.850 0.000) 19.850 1.682 ( 0.000 -7.164 0.000) 7.164 1.682 ( 0.000 7.164 0.000) 7.164 1.850 ( 0.000 -8.214 0.000) 8.214 1.850 ( 0.000 8.214 0.000) 8.214 2.012 ( 0.000 -0.302 0.000) 0.302 2.012 ( 0.000 0.302 0.000) 0.302 2.469 ( 0.000 -3.232 0.000) 3.232 2.469 ( 0.000 3.232 0.000) 3.232 2.565 ( 0.000 -3.105 0.000) 3.105 2.565 ( 0.000 3.105 0.000) 3.105 2.695 ( 0.000 -4.891 0.000) 4.891 2.695 ( 0.000 4.891 0.000) 4.891 2.828 ( 0.000 -4.039 0.000) 4.039 2.828 ( 0.000 4.039 0.000) 4.039 2.961 ( 0.000 -5.501 0.000) 5.501 2.961 ( 0.000 5.501 0.000) 5.501 3.153 ( 0.000 -3.743 0.000) 3.743 3.153 ( 0.000 3.743 0.000) 3.743 3.416 ( 0.000 -2.334 0.000) 2.334 3.416 ( 0.000 2.334 0.000) 2.334 3.593 ( 0.000 -0.889 0.000) 0.889 3.593 ( 0.000 0.889 0.000) 0.889 3.725 ( 0.000 -8.613 0.000) 8.613 3.725 ( 0.000 8.613 0.000) 8.613 3.750 ( 0.000 -8.000 0.000) 8.000 3.750 ( 0.000 8.000 0.000) 8.000 3.886 ( 0.000 -1.724 0.000) 1.724 3.886 ( 0.000 1.724 0.000) 1.724 4.214 ( 0.000 -4.842 0.000) 4.842 4.214 ( 0.000 4.842 0.000) 4.842 4.374 ( 0.000 -1.709 0.000) 1.709 4.374 ( 0.000 1.709 0.000) 1.709 4.496 ( 0.000 -7.010 0.000) 7.010 4.496 ( 0.000 7.010 0.000) 7.010 4.697 ( 0.000 -0.738 0.000) 0.738 4.697 ( 0.000 0.738 0.000) 0.738 4.829 ( 0.000 -8.067 0.000) 8.067 4.829 ( 0.000 8.067 0.000) 8.067 5.101 ( 0.000 -8.027 0.000) 8.027 5.101 ( 0.000 8.027 0.000) 8.027 5.791 ( 0.000 -2.151 0.000) 2.151 5.791 ( 0.000 2.151 0.000) 2.151 6.063 ( 0.000 -5.867 0.000) 5.867 6.063 ( 0.000 5.867 0.000) 5.867 6.539 ( 0.000 -7.154 0.000) 7.154 6.539 ( 0.000 7.154 0.000) 7.154 6.711 ( 0.000 -7.643 0.000) 7.643 6.711 ( 0.000 7.643 0.000) 7.643 6.899 ( 0.000 -2.077 0.000) 2.077 6.899 ( 0.000 2.077 0.000) 2.077 7.011 ( 0.000 -6.124 0.000) 6.124 7.011 ( 0.000 6.124 0.000) 6.124 7.094 ( 0.000 -6.034 0.000) 6.034 7.094 ( 0.000 6.034 0.000) 6.034 7.519 ( 0.000 -6.766 0.000) 6.766 7.519 ( 0.000 6.766 0.000) 6.766 7.838 ( 0.000 -9.820 0.000) 9.820 7.838 ( 0.000 9.820 0.000) 9.820 8.024 ( 0.000 -2.963 0.000) 2.963 8.024 ( 0.000 2.963 0.000) 2.963 8.241 ( 0.000 -4.738 0.000) 4.738 8.241 ( 0.000 4.738 0.000) 4.738 8.454 ( 0.000 -2.467 0.000) 2.467 8.454 ( 0.000 2.467 0.000) 2.467 8.598 ( 0.000 -0.695 0.000) 0.695 8.598 ( 0.000 0.695 0.000) 0.695 8.839 ( 0.000 -3.183 0.000) 3.183 8.839 ( 0.000 3.183 0.000) 3.183 9.520 ( 0.000 -0.013 0.000) 0.013 9.520 ( 0.000 0.013 0.000) 0.013 10.146 ( 0.000 -1.764 0.000) 1.764 10.146 ( 0.000 1.764 0.000) 1.764 10.336 ( 0.000 -0.488 0.000) 0.488 10.336 ( 0.000 0.488 0.000) 0.488 10.856 ( 0.000 -2.018 0.000) 2.018 10.856 ( 0.000 2.018 0.000) 2.018 11.116 ( 0.000 -6.620 0.000) 6.620 11.116 ( 0.000 6.620 0.000) 6.620 11.493 ( 0.000 -3.072 0.000) 3.072 11.493 ( 0.000 3.072 0.000) 3.072 11.581 ( 0.000 -3.680 0.000) 3.680 11.581 ( 0.000 3.680 0.000) 3.680 11.826 ( 0.000 -2.351 0.000) 2.351 11.826 ( 0.000 2.351 0.000) 2.351 12.410 ( 0.000 -3.299 0.000) 3.299 12.410 ( 0.000 3.299 0.000) 3.299 12.629 ( 0.000 -5.991 0.000) 5.991 12.629 ( 0.000 5.991 0.000) 5.991 12.812 ( 0.000 -6.144 0.000) 6.144 12.812 ( 0.000 6.144 0.000) 6.144 13.088 ( 0.000 -2.430 0.000) 2.430 13.088 ( 0.000 2.430 0.000) 2.430 13.447 ( 0.000 -4.849 0.000) 4.849 13.447 ( 0.000 4.849 0.000) 4.849 13.487 ( 0.000 -7.738 0.000) 7.738 13.487 ( 0.000 7.738 0.000) 7.738 16.105 ( 0.000 -5.138 0.000) 5.138 16.105 ( 0.000 5.138 0.000) 5.138 16.361 ( 0.000 -0.051 0.000) 0.051 16.361 ( 0.000 0.051 0.000) 0.051 21.276 ( 0.000 -0.320 0.000) 0.320 21.276 ( 0.000 0.320 0.000) 0.320 21.898 ( 0.000 -8.844 0.000) 8.844 21.898 ( 0.000 8.844 0.000) 8.844 22.717 ( 0.000 -3.389 0.000) 3.389 22.717 ( 0.000 3.389 0.000) 3.389 22.956 ( 0.000 -1.182 0.000) 1.182 22.956 ( 0.000 1.182 0.000) 1.182 23.307 ( 0.000 -0.606 0.000) 0.606 23.307 ( 0.000 0.606 0.000) 0.606 23.378 ( 0.000 -0.035 0.000) 0.035 23.378 ( 0.000 0.035 0.000) 0.035 23.676 ( 0.000 -1.552 0.000) 1.552 23.676 ( 0.000 1.552 0.000) 1.552 23.882 ( 0.000 -2.939 0.000) 2.939 23.882 ( 0.000 2.939 0.000) 2.939 24.167 ( 0.000 -0.140 0.000) 0.140 24.167 ( 0.000 0.140 0.000) 0.140 24.582 ( 0.000 -5.446 0.000) 5.446 24.582 ( 0.000 5.446 0.000) 5.446 25.055 ( 0.000 -0.182 0.000) 0.182 25.055 ( 0.000 0.182 0.000) 0.182 25.173 ( 0.000 -1.919 0.000) 1.919 25.173 ( 0.000 1.919 0.000) 1.919 25.426 ( 0.000 -2.487 0.000) 2.487 25.426 ( 0.000 2.487 0.000) 2.487 25.589 ( 0.000 -6.797 0.000) 6.797 25.589 ( 0.000 6.797 0.000) 6.797 ======================= Grid point 35 (20/88) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 3.199 -12.828 -4.868) 14.089 1.197 ( 3.199 12.828 -4.868) 14.089 1.508 ( -4.823 -14.734 4.568) 16.162 1.508 ( -4.823 14.734 4.568) 16.162 1.747 ( 4.643 -8.679 2.505) 10.156 1.747 ( 4.643 8.679 2.505) 10.156 1.891 ( 1.646 -9.520 2.383) 9.951 1.891 ( 1.646 9.520 2.383) 9.951 2.087 ( 6.518 -6.833 -0.340) 9.450 2.087 ( 6.518 6.833 -0.340) 9.450 2.400 ( -7.139 -4.950 -1.485) 8.813 2.400 ( -7.139 4.950 -1.485) 8.813 2.527 ( 2.637 -1.519 0.415) 3.072 2.527 ( 2.637 1.519 0.415) 3.072 2.729 ( -1.830 -1.141 1.905) 2.877 2.729 ( -1.830 1.141 1.905) 2.877 2.865 ( 2.542 -5.660 -1.518) 6.388 2.865 ( 2.542 5.660 -1.518) 6.388 3.031 ( 6.468 -7.252 0.581) 9.735 3.031 ( 6.468 7.252 0.581) 9.735 3.149 ( 2.291 -4.691 -5.027) 7.247 3.149 ( 2.291 4.691 -5.027) 7.247 3.364 ( -1.446 -4.311 -2.349) 5.118 3.364 ( -1.446 4.311 -2.349) 5.118 3.632 ( 0.397 -0.759 3.730) 3.827 3.632 ( 0.397 0.759 3.730) 3.827 3.705 ( 0.659 -6.978 -2.863) 7.571 3.705 ( 0.659 6.978 -2.863) 7.571 3.791 ( 2.410 -5.990 0.945) 6.525 3.791 ( 2.410 5.990 0.945) 6.525 3.890 ( -0.744 -3.555 2.096) 4.193 3.890 ( -0.744 3.555 2.096) 4.193 4.187 ( -1.899 -5.165 -1.400) 5.678 4.187 ( -1.899 5.165 -1.400) 5.678 4.345 ( -2.796 -2.846 0.651) 4.043 4.345 ( -2.796 2.846 0.651) 4.043 4.517 ( 0.423 -8.216 3.462) 8.926 4.517 ( 0.423 8.217 3.462) 8.926 4.701 ( 0.432 -1.264 0.708) 1.512 4.701 ( 0.432 1.264 0.708) 1.512 4.858 ( 4.357 -9.070 -3.402) 10.622 4.858 ( 4.357 9.070 -3.402) 10.622 5.112 ( 0.615 -6.872 1.210) 7.004 5.112 ( 0.615 6.872 1.210) 7.004 5.784 ( -0.443 -2.075 -1.396) 2.539 5.784 ( -0.443 2.075 -1.396) 2.539 6.032 ( -3.775 -6.724 0.987) 7.774 6.032 ( -3.775 6.724 0.987) 7.774 6.521 ( -1.716 -6.646 -0.715) 6.901 6.521 ( -1.716 6.646 -0.715) 6.901 6.715 ( -0.276 -8.360 1.304) 8.465 6.715 ( -0.276 8.360 1.304) 8.465 6.859 ( -3.202 -3.884 -0.178) 5.037 6.859 ( -3.202 3.884 -0.178) 5.037 7.031 ( 0.212 -4.911 -0.659) 4.960 7.031 ( 0.212 4.911 -0.659) 4.960 7.087 ( 1.155 -7.093 -1.566) 7.355 7.087 ( 1.155 7.093 -1.566) 7.355 7.519 ( -0.933 -7.456 2.326) 7.865 7.519 ( -0.933 7.456 2.326) 7.865 7.864 ( 2.162 -8.938 0.364) 9.203 7.864 ( 2.162 8.938 0.364) 9.203 8.017 ( -0.029 -3.007 -1.401) 3.318 8.017 ( -0.029 3.007 -1.401) 3.318 8.187 ( -4.400 -3.957 -1.025) 6.006 8.187 ( -4.400 3.957 -1.025) 6.006 8.428 ( -4.381 -4.477 0.982) 6.340 8.428 ( -4.381 4.477 0.982) 6.340 8.595 ( 0.565 -3.562 -0.238) 3.614 8.595 ( 0.565 3.562 -0.238) 3.614 8.851 ( 1.025 -3.482 -0.064) 3.630 8.851 ( 1.025 3.482 -0.064) 3.630 9.517 ( -0.354 -0.459 0.143) 0.597 9.517 ( -0.354 0.459 0.143) 0.597 10.148 ( 0.457 -2.167 -0.351) 2.243 10.148 ( 0.457 2.167 -0.351) 2.243 10.367 ( 2.982 -1.611 0.845) 3.493 10.367 ( 2.982 1.611 0.845) 3.493 10.868 ( 1.921 -3.037 -1.716) 3.982 10.868 ( 1.921 3.037 -1.716) 3.982 11.098 ( -1.791 -5.690 0.800) 6.019 11.098 ( -1.791 5.690 0.800) 6.019 11.466 ( -4.485 -4.284 0.558) 6.227 11.466 ( -4.485 4.284 0.558) 6.227 11.588 ( 2.692 -1.415 -0.946) 3.185 11.588 ( 2.692 1.415 -0.946) 3.185 11.839 ( 0.547 -3.328 0.939) 3.501 11.839 ( 0.547 3.328 0.939) 3.501 12.359 ( -5.015 -3.977 -1.465) 6.566 12.359 ( -5.015 3.977 -1.465) 6.566 12.622 ( 0.626 -6.223 -1.060) 6.343 12.622 ( 0.626 6.223 -1.060) 6.343 12.841 ( 2.110 -5.534 0.421) 5.937 12.841 ( 2.110 5.534 0.421) 5.937 13.081 ( -0.860 -0.697 1.474) 1.843 13.081 ( -0.860 0.697 1.474) 1.843 13.378 ( -4.686 -5.238 -2.695) 7.527 13.378 ( -4.686 5.238 -2.695) 7.527 13.524 ( 1.454 -2.935 2.047) 3.863 13.524 ( 1.454 2.935 2.047) 3.863 16.094 ( -1.096 -4.272 -0.009) 4.410 16.094 ( -1.096 4.272 -0.009) 4.410 16.340 ( -2.133 -0.063 -0.053) 2.134 16.340 ( -2.133 0.063 -0.053) 2.134 21.288 ( -0.197 -0.751 3.412) 3.499 21.288 ( -0.197 0.751 3.412) 3.499 21.800 ( -8.674 -6.940 -3.305) 11.590 21.800 ( -8.674 6.940 -3.305) 11.590 22.732 ( 1.808 -3.022 -0.274) 3.533 22.732 ( 1.808 3.022 -0.274) 3.533 22.962 ( 0.535 -0.758 0.850) 1.259 22.962 ( 0.535 0.758 0.850) 1.259 23.310 ( 0.940 -5.044 -4.434) 6.781 23.310 ( 0.940 5.044 -4.434) 6.781 23.397 ( 0.989 -2.391 3.615) 4.446 23.397 ( 0.989 2.391 3.615) 4.446 23.682 ( 0.286 -0.788 0.784) 1.148 23.682 ( 0.286 0.788 0.784) 1.148 23.863 ( -0.436 -3.699 -2.265) 4.359 23.863 ( -0.436 3.699 -2.265) 4.359 24.223 ( 3.351 -0.299 4.171) 5.359 24.223 ( 3.351 0.299 4.171) 5.359 24.569 ( -0.798 -4.629 -1.511) 4.934 24.569 ( -0.798 4.629 -1.511) 4.934 25.058 ( -0.048 -2.813 0.249) 2.824 25.058 ( -0.048 2.813 0.249) 2.824 25.146 ( -2.071 -2.034 -0.387) 2.928 25.146 ( -2.071 2.034 -0.387) 2.928 25.451 ( 2.571 -2.586 0.024) 3.647 25.451 ( 2.571 2.586 0.024) 3.647 25.621 ( 3.767 -7.076 -0.750) 8.052 25.621 ( 3.767 7.076 -0.750) 8.052 ======================= Grid point 37 (21/88) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 2.908 -8.338 -0.530) 8.847 1.220 ( 2.908 8.338 -0.530) 8.847 1.575 ( 8.880 -5.916 2.467) 10.952 1.575 ( 8.880 5.916 2.467) 10.952 1.816 ( 0.036 -4.105 0.045) 4.105 1.816 ( 0.036 4.105 0.045) 4.105 1.944 ( 4.742 -5.114 -0.112) 6.975 1.944 ( 4.742 5.114 -0.112) 6.975 2.179 ( 1.529 -3.013 4.947) 5.991 2.179 ( 1.529 3.013 4.947) 5.991 2.303 ( -2.193 -4.957 -0.879) 5.491 2.303 ( -2.193 4.957 -0.879) 5.491 2.604 ( 4.295 -5.138 -2.453) 7.132 2.604 ( 4.295 5.138 -2.453) 7.132 2.672 ( -5.078 -1.637 0.899) 5.411 2.672 ( -5.078 1.637 0.899) 5.411 2.868 ( -0.170 -5.098 -1.943) 5.458 2.868 ( -0.170 5.098 -1.943) 5.458 3.077 ( 1.119 -4.106 -3.215) 5.333 3.077 ( 1.119 4.106 -3.215) 5.333 3.174 ( 1.874 -1.915 -1.532) 3.087 3.174 ( 1.874 1.915 -1.532) 3.087 3.431 ( 8.777 -9.396 -0.977) 12.895 3.431 ( 8.777 9.396 -0.977) 12.895 3.632 ( -1.294 -3.753 1.337) 4.189 3.632 ( -1.294 3.753 1.337) 4.189 3.721 ( 2.260 -6.780 0.615) 7.173 3.721 ( 2.260 6.780 0.615) 7.173 3.841 ( 2.308 -4.199 1.092) 4.915 3.841 ( 2.308 4.199 1.092) 4.915 3.875 ( -1.577 -6.147 0.646) 6.379 3.875 ( -1.577 6.147 0.646) 6.379 4.144 ( -1.978 -3.847 -1.200) 4.489 4.144 ( -1.978 3.847 -1.200) 4.489 4.309 ( -1.524 -1.632 1.429) 2.651 4.309 ( -1.524 1.632 1.429) 2.651 4.551 ( -0.011 -9.944 4.101) 10.756 4.551 ( -0.011 9.944 4.101) 10.756 4.730 ( 2.567 -3.516 0.114) 4.355 4.730 ( 2.567 3.516 0.114) 4.355 4.919 ( 5.215 -9.504 -3.576) 11.415 4.919 ( 5.215 9.504 -3.576) 11.415 5.134 ( 0.740 -4.198 1.137) 4.411 5.134 ( 0.740 4.198 1.137) 4.411 5.748 ( -2.301 -1.734 -1.996) 3.505 5.748 ( -2.301 1.734 -1.996) 3.505 5.955 ( -5.536 -6.688 1.127) 8.755 5.955 ( -5.536 6.688 1.127) 8.755 6.470 ( -3.178 -5.352 -1.073) 6.316 6.470 ( -3.178 5.352 -1.073) 6.316 6.711 ( -1.731 -7.797 1.505) 8.127 6.711 ( -1.731 7.797 1.505) 8.127 6.812 ( -2.000 -3.320 0.528) 3.912 6.812 ( -2.000 3.320 0.528) 3.912 6.993 ( -2.463 -3.226 -1.086) 4.202 6.993 ( -2.463 3.226 -1.086) 4.202 7.117 ( 2.716 -6.598 -2.053) 7.425 7.117 ( 2.716 6.598 -2.053) 7.425 7.523 ( -1.054 -9.108 3.529) 9.825 7.523 ( -1.054 9.108 3.529) 9.825 7.878 ( -1.692 -7.950 -0.421) 8.139 7.878 ( -1.692 7.950 -0.421) 8.139 8.005 ( 0.070 -3.392 -2.876) 4.448 8.005 ( 0.070 3.392 -2.876) 4.448 8.127 ( -0.947 -2.924 1.465) 3.405 8.127 ( -0.947 2.924 1.465) 3.405 8.317 ( -7.435 -3.447 -0.749) 8.229 8.317 ( -7.435 3.447 -0.749) 8.229 8.616 ( 1.333 -4.258 0.362) 4.477 8.616 ( 1.333 4.258 0.362) 4.477 8.863 ( 0.093 -3.917 0.140) 3.921 8.863 ( 0.093 3.917 0.140) 3.921 9.511 ( -0.317 -1.282 0.096) 1.324 9.511 ( -0.317 1.282 0.096) 1.324 10.155 ( 0.357 -2.460 -0.159) 2.491 10.155 ( 0.357 2.460 -0.159) 2.491 10.444 ( 4.714 -4.196 0.793) 6.361 10.444 ( 4.714 4.196 0.793) 6.361 10.888 ( 2.272 -5.100 -3.532) 6.606 10.888 ( 2.272 5.100 -3.532) 6.606 11.086 ( -0.777 -3.321 2.519) 4.241 11.086 ( -0.777 3.321 2.519) 4.241 11.364 ( -6.288 -4.463 0.473) 7.726 11.364 ( -6.288 4.463 0.473) 7.726 11.659 ( 5.254 -1.141 -0.384) 5.390 11.659 ( 5.254 1.141 -0.384) 5.390 11.845 ( -0.455 -3.905 0.221) 3.937 11.845 ( -0.455 3.905 0.221) 3.937 12.236 ( -6.667 -4.845 -1.515) 8.380 12.236 ( -6.667 4.845 -1.515) 8.380 12.654 ( 2.844 -6.931 1.048) 7.565 12.654 ( 2.844 6.931 1.048) 7.565 12.859 ( 0.393 -5.263 -2.695) 5.926 12.859 ( 0.393 5.263 -2.695) 5.926 13.096 ( 0.251 -2.904 3.652) 4.673 13.096 ( 0.251 2.904 3.652) 4.673 13.261 ( -5.550 -8.325 -3.137) 10.486 13.261 ( -5.550 8.325 -3.137) 10.486 13.557 ( 0.482 -4.515 2.053) 4.983 13.557 ( 0.482 4.515 2.053) 4.983 16.072 ( -1.245 -2.599 -0.001) 2.882 16.072 ( -1.245 2.599 -0.001) 2.882 16.293 ( -2.984 -0.033 0.002) 2.984 16.293 ( -2.984 0.033 0.002) 2.984 21.314 ( -0.409 -1.114 4.547) 4.699 21.314 ( -0.409 1.114 4.547) 4.699 21.592 ( -10.406 -3.888 -4.235) 11.889 21.592 ( -10.406 3.888 -4.235) 11.889 22.773 ( 2.545 -2.654 0.233) 3.685 22.773 ( 2.545 2.654 0.233) 3.685 22.989 ( 1.119 -0.618 2.072) 2.435 22.989 ( 1.119 0.618 2.072) 2.435 23.277 ( 0.056 -4.974 -5.415) 7.352 23.277 ( 0.056 4.974 -5.415) 7.352 23.436 ( 0.049 -4.324 2.455) 4.972 23.436 ( 0.049 4.324 2.455) 4.972 23.696 ( 0.759 -0.493 0.287) 0.949 23.696 ( 0.759 0.493 0.287) 0.949 23.854 ( 0.966 -2.899 -1.136) 3.260 23.854 ( 0.966 2.899 -1.136) 3.260 24.304 ( 1.900 -2.661 3.363) 4.690 24.304 ( 1.900 2.661 3.363) 4.690 24.535 ( -1.481 -2.856 -1.617) 3.600 24.535 ( -1.481 2.856 -1.617) 3.600 25.044 ( -1.685 -1.603 0.434) 2.366 25.044 ( -1.685 1.603 0.434) 2.366 25.126 ( 0.183 -2.566 -0.163) 2.577 25.126 ( 0.183 2.566 -0.163) 2.577 25.508 ( 3.681 -3.623 -0.065) 5.165 25.508 ( 3.681 3.623 -0.065) 5.165 25.699 ( 5.302 -7.348 -0.697) 9.088 25.699 ( 5.302 7.348 -0.697) 9.088 ======================= Grid point 39 (22/88) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 7.041 -7.554 2.987) 10.750 1.321 ( 7.041 7.554 2.987) 10.750 1.751 ( 1.992 -4.885 -3.488) 6.325 1.751 ( 1.992 4.885 -3.488) 6.325 1.835 ( 11.303 -9.732 0.439) 14.922 1.835 ( 11.303 9.732 0.439) 14.922 2.009 ( 1.536 -4.445 -1.402) 4.907 2.009 ( 1.536 4.445 -1.402) 4.907 2.207 ( -2.012 -2.879 5.455) 6.488 2.207 ( -2.012 2.879 5.455) 6.488 2.315 ( 4.114 -4.898 -3.154) 7.132 2.315 ( 4.114 4.898 -3.154) 7.132 2.549 ( -5.324 -1.937 -2.317) 6.121 2.549 ( -5.324 1.937 -2.317) 6.121 2.637 ( -0.933 -6.228 0.104) 6.299 2.637 ( -0.933 6.228 0.104) 6.299 2.840 ( -1.261 -4.664 -0.275) 4.840 2.840 ( -1.261 4.664 -0.275) 4.840 3.074 ( -1.363 -0.673 -0.339) 1.558 3.074 ( -1.363 0.673 -0.339) 1.558 3.206 ( 3.211 -0.267 -0.104) 3.224 3.206 ( 3.211 0.267 -0.104) 3.224 3.455 ( -4.469 -7.251 -1.498) 8.648 3.455 ( -4.469 7.251 -1.498) 8.648 3.705 ( 5.114 -6.385 -0.575) 8.201 3.705 ( 5.114 6.385 -0.575) 8.201 3.767 ( 1.475 -2.689 1.937) 3.627 3.767 ( 1.475 2.689 1.937) 3.627 3.878 ( 3.499 -8.121 1.549) 8.977 3.878 ( 3.499 8.121 1.549) 8.977 3.922 ( 6.036 -4.075 0.122) 7.284 3.922 ( 6.036 4.075 0.122) 7.284 4.089 ( -4.035 -1.343 1.887) 4.653 4.089 ( -4.035 1.343 1.887) 4.653 4.316 ( 2.063 -3.086 -1.624) 4.052 4.316 ( 2.063 3.086 -1.624) 4.052 4.565 ( -1.504 -9.068 2.151) 9.440 4.565 ( -1.504 9.068 2.151) 9.440 4.796 ( 5.205 -5.310 -0.137) 7.436 4.796 ( 5.205 5.310 -0.137) 7.436 4.987 ( 4.579 -8.055 -1.557) 9.396 4.987 ( 4.579 8.055 -1.557) 9.396 5.154 ( 0.899 -1.859 0.447) 2.113 5.154 ( 0.899 1.859 0.447) 2.113 5.679 ( -3.810 -4.263 -1.130) 5.828 5.679 ( -3.810 4.263 -1.130) 5.828 5.856 ( -6.240 -6.247 0.281) 8.834 5.856 ( -6.240 6.247 0.281) 8.834 6.404 ( -3.060 -3.809 -0.854) 4.960 6.404 ( -3.060 3.809 -0.854) 4.960 6.680 ( -2.432 -5.882 1.064) 6.454 6.680 ( -2.432 5.882 1.064) 6.454 6.782 ( -2.440 -7.850 0.701) 8.250 6.782 ( -2.440 7.850 0.701) 8.250 6.954 ( -0.607 -2.036 -1.384) 2.535 6.954 ( -0.607 2.036 -1.384) 2.535 7.140 ( 1.252 -7.627 -1.074) 7.803 7.140 ( 1.252 7.627 -1.074) 7.803 7.534 ( -0.305 -10.714 2.759) 11.067 7.534 ( -0.305 10.714 2.759) 11.067 7.799 ( -5.676 -5.848 -1.074) 8.220 7.799 ( -5.676 5.848 -1.074) 8.220 7.984 ( -0.890 -3.496 0.275) 3.618 7.984 ( -0.890 3.496 0.275) 3.618 8.151 ( -1.425 -3.311 -0.938) 3.725 8.151 ( -1.425 3.311 -0.938) 3.725 8.200 ( -1.116 -2.463 -0.513) 2.752 8.200 ( -1.116 2.463 -0.513) 2.752 8.641 ( 0.869 -3.836 0.945) 4.045 8.641 ( 0.869 3.836 0.945) 4.045 8.855 ( -0.845 -4.087 -0.031) 4.174 8.855 ( -0.845 4.087 -0.031) 4.174 9.509 ( -0.079 -2.106 0.111) 2.110 9.509 ( -0.079 2.106 0.111) 2.110 10.155 ( -0.187 -1.897 -0.041) 1.907 10.155 ( -0.187 1.897 -0.041) 1.907 10.535 ( 4.921 -5.427 0.417) 7.338 10.535 ( 4.921 5.427 0.417) 7.338 10.895 ( 1.560 -5.166 -3.358) 6.356 10.895 ( 1.560 5.166 -3.358) 6.356 11.087 ( -1.913 -0.847 1.787) 2.752 11.087 ( -1.913 0.847 1.787) 2.752 11.291 ( -1.931 -3.285 1.768) 4.200 11.291 ( -1.931 3.285 1.768) 4.200 11.750 ( 5.190 -1.114 -1.204) 5.443 11.750 ( 5.190 1.114 -1.204) 5.443 11.830 ( -0.893 -3.596 -0.128) 3.708 11.830 ( -0.893 3.596 -0.128) 3.708 12.125 ( -4.902 -4.581 0.097) 6.710 12.125 ( -4.902 4.581 0.097) 6.710 12.720 ( 2.522 -7.369 2.163) 8.084 12.720 ( 2.522 7.369 2.163) 8.084 12.826 ( -0.692 -5.712 -3.912) 6.957 12.826 ( -0.692 5.712 -3.912) 6.957 13.086 ( -5.390 -5.061 2.056) 7.675 13.086 ( -5.390 5.061 2.056) 7.675 13.197 ( 1.858 -5.919 -1.297) 6.337 13.197 ( 1.858 5.919 -1.297) 6.337 13.567 ( -0.889 -5.281 1.560) 5.578 13.567 ( -0.889 5.281 1.560) 5.578 16.054 ( -0.682 -1.344 -0.008) 1.507 16.054 ( -0.682 1.344 -0.008) 1.507 16.241 ( -2.796 -0.407 0.013) 2.826 16.241 ( -2.796 0.407 0.013) 2.826 21.311 ( -3.136 -1.582 -1.818) 3.955 21.311 ( -3.136 1.582 -1.818) 3.955 21.423 ( -5.297 -2.229 2.203) 6.155 21.423 ( -5.297 2.229 2.203) 6.155 22.819 ( 2.179 -2.523 0.813) 3.432 22.819 ( 2.179 2.523 0.813) 3.432 23.020 ( 0.381 -0.825 1.754) 1.976 23.020 ( 0.381 0.825 1.754) 1.976 23.242 ( 0.250 -3.985 -4.428) 5.963 23.242 ( 0.250 3.985 -4.428) 5.963 23.436 ( -0.731 -4.093 0.594) 4.200 23.436 ( -0.731 4.093 0.594) 4.200 23.711 ( 0.861 -1.056 0.076) 1.365 23.711 ( 0.861 1.056 0.076) 1.365 23.871 ( 0.900 -2.117 0.088) 2.302 23.871 ( 0.900 2.117 0.088) 2.302 24.333 ( 0.069 -6.712 0.398) 6.724 24.333 ( 0.069 6.712 0.398) 6.724 24.503 ( -1.431 -2.237 0.118) 2.658 24.503 ( -1.431 2.237 0.118) 2.658 25.024 ( -0.509 -2.913 0.046) 2.958 25.024 ( -0.509 2.913 0.046) 2.958 25.134 ( 0.368 -4.484 0.376) 4.515 25.134 ( 0.368 4.484 0.376) 4.515 25.573 ( 3.424 -5.467 0.037) 6.451 25.573 ( 3.424 5.467 0.037) 6.451 25.786 ( 4.658 -7.618 -0.364) 8.936 25.786 ( 4.658 7.618 -0.364) 8.936 ======================= Grid point 41 (23/88) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 6.041 -5.980 2.023) 8.737 1.470 ( 6.041 5.980 2.023) 8.737 1.714 ( 0.975 -6.009 -6.626) 8.997 1.714 ( 0.975 6.009 -6.626) 8.997 1.968 ( -5.553 -1.958 4.569) 7.453 1.968 ( -5.553 1.958 4.569) 7.453 2.070 ( 9.401 -3.675 -0.032) 10.093 2.070 ( 9.401 3.675 -0.032) 10.093 2.233 ( 5.669 -3.980 -2.367) 7.319 2.233 ( 5.669 3.980 -2.367) 7.319 2.354 ( 1.861 -3.082 -1.238) 3.807 2.354 ( 1.861 3.082 -1.238) 3.807 2.467 ( -2.182 -2.626 -2.301) 4.117 2.467 ( -2.182 2.626 -2.301) 4.117 2.598 ( -4.098 -7.200 1.605) 8.438 2.598 ( -4.098 7.200 1.605) 8.438 2.855 ( 1.785 -5.075 3.114) 6.216 2.855 ( 1.785 5.075 3.114) 6.216 3.020 ( -3.961 -4.402 0.651) 5.958 3.020 ( -3.961 4.402 0.651) 5.958 3.238 ( -0.150 -3.816 -1.448) 4.084 3.238 ( -0.150 3.816 -1.448) 4.084 3.379 ( -1.985 -4.361 0.071) 4.792 3.379 ( -1.985 4.361 0.071) 4.792 3.672 ( -3.509 -3.650 -2.092) 5.479 3.672 ( -3.509 3.650 -2.092) 5.479 3.847 ( 3.929 -4.100 -0.764) 5.730 3.847 ( 3.929 4.100 -0.764) 5.730 3.955 ( 3.074 -4.654 2.339) 6.048 3.955 ( 3.074 4.654 2.339) 6.048 4.013 ( -0.039 -0.231 2.621) 2.631 4.013 ( -0.039 0.231 2.621) 2.631 4.084 ( 2.760 -2.915 0.741) 4.082 4.084 ( 2.760 2.915 0.741) 4.082 4.357 ( 4.132 -2.785 -1.516) 5.208 4.357 ( 4.132 2.785 -1.516) 5.208 4.528 ( -2.815 -5.241 -0.736) 5.995 4.528 ( -2.815 5.241 -0.736) 5.995 4.913 ( 7.267 -5.589 0.367) 9.175 4.913 ( 7.267 5.589 0.367) 9.175 5.047 ( 2.361 -7.048 0.120) 7.434 5.047 ( 2.361 7.048 0.120) 7.434 5.171 ( 0.607 -1.592 -0.140) 1.709 5.171 ( 0.607 1.592 -0.140) 1.709 5.607 ( -3.733 -8.003 0.159) 8.832 5.607 ( -3.733 8.003 0.159) 8.832 5.747 ( -5.189 -7.246 -0.619) 8.934 5.747 ( -5.189 7.246 -0.619) 8.934 6.359 ( -1.402 -2.902 -0.337) 3.240 6.359 ( -1.402 2.902 -0.337) 3.240 6.651 ( -1.465 -4.939 0.744) 5.205 6.651 ( -1.465 4.939 0.744) 5.205 6.736 ( -2.810 -8.750 0.379) 9.198 6.736 ( -2.810 8.750 0.379) 9.198 6.944 ( 0.569 -3.904 -2.160) 4.498 6.944 ( 0.569 3.904 -2.160) 4.498 7.155 ( 0.660 -5.713 0.828) 5.810 7.155 ( 0.660 5.713 0.828) 5.810 7.552 ( 0.787 -10.981 0.759) 11.035 7.552 ( 0.787 10.981 0.759) 11.035 7.690 ( -5.432 -3.287 -0.287) 6.355 7.690 ( -5.432 3.287 -0.287) 6.355 7.974 ( -2.116 -3.952 3.776) 5.861 7.974 ( -2.116 3.952 3.776) 5.861 8.073 ( -1.212 -3.864 -5.182) 6.577 8.073 ( -1.212 3.864 -5.182) 6.577 8.246 ( 2.454 -2.005 0.914) 3.298 8.246 ( 2.454 2.005 0.914) 3.298 8.658 ( 0.164 -4.105 1.034) 4.236 8.658 ( 0.164 4.105 1.034) 4.236 8.839 ( -0.666 -3.884 -0.315) 3.954 8.839 ( -0.666 3.884 -0.315) 3.954 9.509 ( -0.004 -2.636 0.120) 2.639 9.509 ( -0.004 2.636 0.120) 2.639 10.150 ( -0.313 -1.276 -0.028) 1.314 10.150 ( -0.313 1.276 -0.028) 1.314 10.615 ( 3.478 -4.551 0.198) 5.731 10.615 ( 3.478 4.551 0.198) 5.731 10.896 ( 0.729 -3.289 -1.758) 3.800 10.896 ( 0.729 3.289 -1.758) 3.800 11.044 ( -2.781 -3.641 0.082) 4.583 11.044 ( -2.781 3.641 0.082) 4.583 11.312 ( 1.267 -0.720 2.265) 2.693 11.312 ( 1.267 0.720 2.265) 2.693 11.779 ( 0.221 -4.199 -3.000) 5.165 11.779 ( 0.221 4.199 -3.000) 5.165 11.852 ( 2.440 -1.750 1.130) 3.208 11.852 ( 2.440 1.750 1.130) 3.208 12.067 ( -2.326 -3.226 1.072) 4.119 12.067 ( -2.326 3.226 1.072) 4.119 12.739 ( -1.251 -2.756 -0.311) 3.042 12.739 ( -1.251 2.756 -0.311) 3.042 12.806 ( 0.697 -2.285 -1.173) 2.661 12.806 ( 0.697 2.285 -1.173) 2.661 13.013 ( -2.779 -2.875 0.860) 4.090 13.013 ( -2.779 2.875 0.860) 4.090 13.240 ( 2.410 -4.933 -0.058) 5.491 13.240 ( 2.410 4.933 -0.058) 5.491 13.552 ( -1.505 -4.585 0.694) 4.875 13.552 ( -1.505 4.585 0.694) 4.875 16.048 ( -0.105 -0.759 -0.005) 0.766 16.048 ( -0.105 0.759 -0.005) 0.766 16.199 ( -1.785 -0.832 -0.007) 1.969 16.199 ( -1.785 0.832 -0.007) 1.969 21.208 ( -3.617 -2.044 -3.469) 5.413 21.208 ( -3.617 2.044 -3.469) 5.413 21.414 ( -0.790 -1.904 3.785) 4.310 21.414 ( -0.790 1.904 3.785) 4.310 22.859 ( 1.482 -2.447 1.041) 3.044 22.859 ( 1.482 2.447 1.041) 3.044 23.021 ( -0.761 -0.863 -0.250) 1.178 23.021 ( -0.761 0.863 -0.250) 1.178 23.223 ( 0.193 -2.373 -1.889) 3.039 23.223 ( 0.193 2.373 -1.889) 3.039 23.434 ( 0.187 -3.877 0.233) 3.888 23.434 ( 0.187 3.877 0.233) 3.888 23.724 ( 0.400 -1.072 -0.043) 1.145 23.724 ( 0.400 1.072 -0.043) 1.145 23.878 ( -0.057 -1.900 0.110) 1.904 23.878 ( -0.057 1.900 0.110) 1.904 24.329 ( -0.091 -9.610 -0.494) 9.623 24.329 ( -0.091 9.610 -0.494) 9.623 24.485 ( -0.908 -3.814 0.672) 3.978 24.485 ( -0.908 3.814 0.672) 3.978 25.023 ( 0.260 -3.690 -0.132) 3.701 25.023 ( 0.260 3.690 -0.132) 3.701 25.141 ( 0.092 -4.732 0.360) 4.747 25.141 ( 0.092 4.732 0.360) 4.747 25.623 ( 2.008 -7.006 0.086) 7.289 25.623 ( 2.008 7.006 0.086) 7.289 25.850 ( 2.622 -7.885 -0.123) 8.310 25.850 ( 2.622 7.885 -0.123) 8.310 ======================= Grid point 43 (24/88) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.000 -0.915 0.000) 0.915 1.530 ( 0.000 0.915 0.000) 0.915 1.701 ( 0.000 -2.490 0.000) 2.490 1.701 ( 0.000 2.490 0.000) 2.490 1.928 ( 0.000 -5.337 -0.000) 5.337 1.928 ( 0.000 5.337 0.000) 5.337 2.136 ( 0.000 -3.995 0.000) 3.995 2.136 ( 0.000 3.995 0.000) 3.995 2.342 ( -0.000 -3.934 0.000) 3.934 2.342 ( 0.000 3.934 -0.000) 3.934 2.360 ( -0.000 -1.334 0.000) 1.334 2.360 ( 0.000 1.334 -0.000) 1.334 2.418 ( 0.000 -8.443 0.000) 8.443 2.418 ( 0.000 8.443 -0.000) 8.443 2.555 ( 0.000 -2.273 0.000) 2.273 2.555 ( 0.000 2.273 0.000) 2.273 2.892 ( 0.000 -6.124 0.000) 6.124 2.892 ( 0.000 6.124 -0.000) 6.124 2.984 ( 0.000 -6.012 0.000) 6.012 2.984 ( 0.000 6.012 0.000) 6.012 3.219 ( 0.000 -7.688 0.000) 7.688 3.219 ( 0.000 7.688 0.000) 7.688 3.366 ( 0.000 -2.855 0.000) 2.855 3.366 ( 0.000 2.855 0.000) 2.855 3.623 ( 0.000 -5.297 0.000) 5.297 3.623 ( 0.000 5.297 0.000) 5.297 3.878 ( 0.000 -6.019 -0.000) 6.019 3.878 ( 0.000 6.019 -0.000) 6.019 3.990 ( 0.000 -5.522 0.000) 5.522 3.990 ( 0.000 5.522 0.000) 5.522 4.032 ( 0.000 -0.071 0.000) 0.071 4.032 ( 0.000 0.071 0.000) 0.071 4.102 ( 0.000 -1.852 0.000) 1.852 4.102 ( 0.000 1.852 0.000) 1.852 4.412 ( 0.000 -8.017 0.000) 8.017 4.412 ( 0.000 8.017 0.000) 8.017 4.482 ( 0.000 -3.218 0.000) 3.218 4.482 ( 0.000 3.218 -0.000) 3.218 5.000 ( 0.000 -0.003 0.000) 0.003 5.000 ( 0.000 0.003 0.000) 0.003 5.067 ( 0.000 -7.928 0.000) 7.928 5.067 ( 0.000 7.928 0.000) 7.928 5.170 ( -0.000 -2.663 0.000) 2.663 5.170 ( 0.000 2.663 0.000) 2.663 5.566 ( 0.000 -7.920 -0.000) 7.920 5.566 ( 0.000 7.920 0.000) 7.920 5.695 ( 0.000 -4.890 -0.000) 4.890 5.695 ( 0.000 4.890 -0.000) 4.890 6.347 ( 0.000 -2.482 0.000) 2.482 6.347 ( 0.000 2.482 0.000) 2.482 6.641 ( 0.000 -1.418 -0.000) 1.418 6.641 ( 0.000 1.418 0.000) 1.418 6.708 ( 0.000 -4.949 0.000) 4.949 6.708 ( 0.000 4.949 0.000) 4.949 6.940 ( 0.000 -5.475 0.000) 5.475 6.940 ( 0.000 5.475 0.000) 5.475 7.167 ( 0.000 -1.767 0.000) 1.767 7.167 ( 0.000 1.767 0.000) 1.767 7.567 ( 0.000 -10.592 -0.000) 10.592 7.567 ( 0.000 10.592 0.000) 10.592 7.631 ( 0.000 -3.626 0.000) 3.626 7.631 ( -0.000 3.626 0.000) 3.626 7.967 ( 0.000 -4.951 -0.000) 4.951 7.967 ( 0.000 4.951 -0.000) 4.951 8.046 ( 0.000 -1.464 0.000) 1.464 8.046 ( 0.000 1.464 0.000) 1.464 8.273 ( 0.000 -1.811 0.000) 1.811 8.273 ( 0.000 1.811 0.000) 1.811 8.663 ( 0.000 -4.528 0.000) 4.528 8.663 ( 0.000 4.528 0.000) 4.528 8.832 ( 0.000 -3.659 0.000) 3.659 8.832 ( 0.000 3.659 0.000) 3.659 9.510 ( 0.000 -2.814 0.000) 2.814 9.510 ( 0.000 2.814 0.000) 2.814 10.147 ( 0.000 -1.110 0.000) 1.110 10.147 ( 0.000 1.110 0.000) 1.110 10.649 ( 0.000 -3.227 0.000) 3.227 10.649 ( 0.000 3.227 0.000) 3.227 10.896 ( 0.000 -1.636 0.000) 1.636 10.896 ( 0.000 1.636 -0.000) 1.636 11.017 ( 0.000 -4.140 0.000) 4.140 11.017 ( 0.000 4.140 0.000) 4.140 11.335 ( 0.000 -0.046 0.000) 0.046 11.335 ( 0.000 0.046 -0.000) 0.046 11.766 ( 0.000 -4.122 0.000) 4.122 11.766 ( 0.000 4.122 0.000) 4.122 11.882 ( 0.000 -2.395 0.000) 2.395 11.882 ( 0.000 2.395 0.000) 2.395 12.052 ( 0.000 -0.865 0.000) 0.865 12.052 ( 0.000 0.865 0.000) 0.865 12.719 ( 0.000 -1.119 0.000) 1.119 12.719 ( 0.000 1.119 0.000) 1.119 12.808 ( 0.000 -2.979 0.000) 2.979 12.808 ( 0.000 2.979 0.000) 2.979 12.997 ( 0.000 -0.203 0.000) 0.203 12.997 ( 0.000 0.203 0.000) 0.203 13.264 ( 0.000 -4.123 0.000) 4.123 13.264 ( 0.000 4.123 0.000) 4.123 13.538 ( 0.000 -3.786 0.000) 3.786 13.538 ( 0.000 3.786 0.000) 3.786 16.048 ( 0.000 -0.620 0.000) 0.620 16.048 ( 0.000 0.620 0.000) 0.620 16.182 ( 0.000 -1.043 0.000) 1.043 16.182 ( 0.000 1.043 0.000) 1.043 21.162 ( 0.000 -2.137 0.000) 2.137 21.162 ( 0.000 2.137 0.000) 2.137 21.423 ( 0.000 -1.767 0.000) 1.767 21.423 ( 0.000 1.767 0.000) 1.767 22.879 ( 0.000 -2.389 -0.000) 2.389 22.879 ( 0.000 2.389 0.000) 2.389 23.008 ( 0.000 -0.456 0.000) 0.456 23.008 ( 0.000 0.456 0.000) 0.456 23.218 ( 0.000 -1.834 0.000) 1.834 23.218 ( 0.000 1.834 0.000) 1.834 23.439 ( 0.000 -3.510 0.000) 3.510 23.439 ( 0.000 3.510 0.000) 3.510 23.726 ( 0.000 -0.847 0.000) 0.847 23.726 ( 0.000 0.847 0.000) 0.847 23.877 ( 0.000 -1.601 -0.000) 1.601 23.877 ( 0.000 1.601 0.000) 1.601 24.326 ( 0.000 -10.392 0.000) 10.392 24.326 ( 0.000 10.392 -0.000) 10.392 24.480 ( 0.000 -4.469 0.000) 4.469 24.480 ( 0.000 4.469 0.000) 4.469 25.026 ( 0.000 -3.875 0.000) 3.875 25.026 ( 0.000 3.875 0.000) 3.875 25.143 ( 0.000 -4.683 0.000) 4.683 25.143 ( 0.000 4.683 0.000) 4.683 25.641 ( 0.000 -7.578 -0.000) 7.578 25.641 ( 0.000 7.578 0.000) 7.578 25.873 ( 0.000 -8.002 0.000) 8.002 25.873 ( 0.000 8.002 -0.000) 8.002 ======================= Grid point 77 (25/88) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -3.710 0.000 24.534) 24.813 0.516 ( -10.924 0.000 27.215) 29.325 0.774 ( 10.471 0.000 39.566) 40.928 1.295 ( 3.361 0.000 -16.550) 16.888 1.467 ( 7.631 0.000 -21.869) 23.162 1.931 ( -5.282 0.000 -17.081) 17.879 2.034 ( -0.392 0.000 3.001) 3.026 2.195 ( -1.093 0.000 9.759) 9.820 2.245 ( 8.035 0.000 -5.248) 9.597 2.343 ( -9.782 0.000 10.768) 14.548 2.508 ( -2.646 0.000 -0.187) 2.652 2.631 ( 1.785 0.000 1.284) 2.198 2.638 ( 2.952 0.000 -1.966) 3.547 2.715 ( 5.289 0.000 5.207) 7.422 2.776 ( -0.345 0.000 0.506) 0.613 2.811 ( -3.233 0.000 -0.851) 3.343 2.970 ( 0.167 0.000 -4.841) 4.844 2.982 ( -5.048 0.000 -2.617) 5.686 3.061 ( 1.207 0.000 -0.767) 1.431 3.141 ( 1.618 0.000 1.733) 2.371 3.141 ( 2.143 0.000 3.123) 3.788 3.210 ( -3.053 0.000 6.548) 7.225 3.328 ( 1.120 0.000 -10.485) 10.545 3.370 ( -1.163 0.000 -4.990) 5.124 3.525 ( -0.523 0.000 -2.457) 2.512 3.571 ( 0.300 0.000 -0.952) 0.998 3.631 ( 5.182 0.000 0.303) 5.191 3.678 ( 2.937 0.000 1.231) 3.184 3.902 ( -7.448 0.000 -2.689) 7.919 3.910 ( 6.938 0.000 -2.488) 7.370 3.958 ( -3.469 0.000 3.082) 4.641 4.027 ( 4.033 0.000 1.317) 4.243 4.117 ( 3.473 0.000 -1.826) 3.924 4.120 ( 4.011 0.000 2.682) 4.825 4.410 ( 4.743 0.000 3.310) 5.784 4.460 ( -7.887 0.000 4.144) 8.910 4.490 ( -2.967 0.000 -1.914) 3.531 4.542 ( 2.644 0.000 -1.474) 3.027 4.763 ( -1.330 0.000 7.301) 7.422 4.964 ( 2.839 0.000 -1.658) 3.287 5.056 ( -2.785 0.000 -0.121) 2.787 5.213 ( 2.122 0.000 4.769) 5.219 5.229 ( -2.722 0.000 1.480) 3.098 5.348 ( 1.359 0.000 -11.898) 11.975 5.587 ( 3.496 0.000 1.202) 3.697 5.779 ( -0.758 0.000 -3.713) 3.790 5.824 ( -8.023 0.000 1.616) 8.184 5.855 ( -0.670 0.000 0.595) 0.896 6.143 ( -0.561 0.000 6.240) 6.266 6.325 ( 0.769 0.000 7.605) 7.644 6.452 ( 4.809 0.000 -6.013) 7.699 6.600 ( -6.245 0.000 -4.901) 7.939 6.908 ( 2.675 0.000 0.549) 2.731 7.006 ( 0.114 0.000 -4.999) 5.000 7.089 ( 0.134 0.000 0.872) 0.882 7.139 ( 1.296 0.000 -1.605) 2.063 7.181 ( 7.250 0.000 3.068) 7.872 7.290 ( -1.760 0.000 5.154) 5.446 7.295 ( -0.857 0.000 -2.697) 2.830 7.468 ( 1.708 0.000 -3.445) 3.846 7.766 ( -0.324 0.000 0.367) 0.490 7.783 ( 0.149 0.000 -0.069) 0.164 7.974 ( -1.928 0.000 -0.633) 2.029 8.018 ( 1.561 0.000 -4.071) 4.360 8.206 ( -0.355 0.000 7.792) 7.800 8.340 ( 0.210 0.000 6.922) 6.925 8.470 ( 1.085 0.000 -2.583) 2.802 8.489 ( -3.342 0.000 -3.142) 4.587 8.503 ( 1.216 0.000 2.354) 2.650 8.690 ( -6.765 0.000 -4.647) 8.207 8.926 ( -0.644 0.000 0.456) 0.789 8.961 ( 0.356 0.000 -1.041) 1.100 9.432 ( -2.800 0.000 1.639) 3.244 9.500 ( 0.405 0.000 -1.229) 1.294 9.981 ( 0.555 0.000 0.487) 0.738 9.993 ( -0.541 0.000 -0.011) 0.541 10.351 ( -3.096 0.000 2.710) 4.115 10.542 ( 18.982 0.000 -6.812) 20.167 10.835 ( -2.191 0.000 -0.151) 2.196 10.847 ( 3.188 0.000 -0.567) 3.238 10.970 ( 5.819 0.000 7.614) 9.582 11.191 ( -1.282 0.000 -2.987) 3.250 11.230 ( -1.541 0.000 3.309) 3.650 11.302 ( 1.464 0.000 0.298) 1.494 11.389 ( 2.637 0.000 -0.152) 2.641 11.442 ( -1.135 0.000 -2.196) 2.472 11.833 ( 2.641 0.000 2.414) 3.578 12.022 ( -16.179 0.000 -7.076) 17.659 12.304 ( -36.767 0.000 6.553) 37.347 12.430 ( 5.631 0.000 1.849) 5.927 12.511 ( 9.479 0.000 -4.796) 10.623 12.553 ( -1.691 0.000 -3.385) 3.784 12.712 ( 1.515 0.000 3.068) 3.422 12.832 ( -2.464 0.000 -2.677) 3.639 12.997 ( -3.989 0.000 4.201) 5.793 13.170 ( 6.247 0.000 -3.496) 7.158 13.329 ( -4.846 0.000 1.171) 4.985 13.360 ( 0.192 0.000 -0.080) 0.208 13.683 ( 0.112 0.000 1.815) 1.819 13.743 ( 0.389 0.000 -0.862) 0.946 15.990 ( -0.209 0.000 0.045) 0.214 15.993 ( -0.079 0.000 -0.074) 0.108 16.393 ( 0.178 0.000 0.221) 0.284 16.403 ( -0.148 0.000 -0.205) 0.253 21.271 ( 1.133 0.000 4.036) 4.192 21.479 ( -1.444 0.000 -5.073) 5.274 21.751 ( -0.306 0.000 3.987) 3.999 21.910 ( 4.958 0.000 -3.085) 5.839 22.579 ( -0.825 0.000 1.794) 1.975 22.699 ( 0.235 0.000 -4.284) 4.290 22.880 ( 1.667 0.000 4.253) 4.568 23.021 ( -1.736 0.000 -2.890) 3.371 23.199 ( -3.309 0.000 0.763) 3.396 23.242 ( 0.960 0.000 -0.716) 1.198 23.395 ( -5.183 0.000 1.036) 5.285 23.453 ( 2.770 0.000 -0.978) 2.938 23.675 ( 3.401 0.000 1.189) 3.603 23.720 ( -0.592 0.000 -1.833) 1.926 23.888 ( 0.664 0.000 4.677) 4.724 24.026 ( 18.375 0.000 -1.298) 18.421 24.205 ( 4.465 0.000 -0.232) 4.471 24.260 ( -3.975 0.000 -1.821) 4.372 24.713 ( -1.702 0.000 1.237) 2.104 24.793 ( 15.286 0.000 -2.825) 15.545 24.933 ( 14.433 0.000 3.749) 14.912 25.047 ( -3.259 0.000 -1.869) 3.757 25.256 ( 1.648 0.000 0.476) 1.716 25.267 ( -8.248 0.000 -0.024) 8.248 25.294 ( 2.378 0.000 0.360) 2.405 25.321 ( -26.515 0.000 -1.057) 26.536 25.380 ( -13.500 0.000 1.376) 13.570 25.428 ( 3.827 0.000 -0.874) 3.925 ======================= Grid point 78 (26/88) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 14.494 0.000 15.712) 21.376 0.743 ( 12.880 0.000 17.332) 21.594 1.294 ( 11.560 0.000 -16.425) 20.085 1.361 ( -0.928 0.000 -20.675) 20.696 1.395 ( 22.943 0.000 29.675) 37.510 1.869 ( 14.961 0.000 -19.772) 24.795 2.004 ( -5.604 0.000 3.460) 6.586 2.115 ( -10.442 0.000 0.043) 10.442 2.284 ( 2.998 0.000 8.003) 8.546 2.371 ( 1.276 0.000 0.745) 1.477 2.514 ( -1.308 0.000 1.012) 1.654 2.586 ( -6.825 0.000 1.531) 6.994 2.615 ( 0.251 0.000 -5.922) 5.928 2.752 ( -1.333 0.000 3.856) 4.079 2.784 ( -0.518 0.000 2.834) 2.881 2.836 ( 5.163 0.000 0.670) 5.206 2.895 ( -4.593 0.000 0.049) 4.593 2.951 ( 2.581 0.000 1.842) 3.171 3.081 ( -3.069 0.000 2.386) 3.888 3.107 ( -2.145 0.000 -7.235) 7.547 3.138 ( -5.777 0.000 -2.618) 6.343 3.181 ( -1.242 0.000 5.749) 5.882 3.310 ( 2.263 0.000 -2.657) 3.490 3.320 ( 1.879 0.000 -7.621) 7.850 3.481 ( -3.732 0.000 1.027) 3.871 3.573 ( -1.484 0.000 2.092) 2.565 3.651 ( 3.081 0.000 -4.716) 5.633 3.753 ( 2.593 0.000 -2.462) 3.576 3.790 ( 0.359 0.000 -0.392) 0.532 3.955 ( 0.083 0.000 0.897) 0.901 4.031 ( 5.869 0.000 1.152) 5.981 4.032 ( -2.855 0.000 1.672) 3.309 4.204 ( 2.542 0.000 -5.680) 6.222 4.260 ( 12.314 0.000 -3.067) 12.691 4.389 ( -3.656 0.000 6.264) 7.253 4.412 ( -2.150 0.000 -3.473) 4.084 4.531 ( 6.094 0.000 1.369) 6.246 4.631 ( 5.077 0.000 -1.855) 5.405 4.778 ( -3.649 0.000 6.544) 7.492 4.985 ( -0.132 0.000 0.271) 0.301 5.000 ( -4.203 0.000 3.808) 5.672 5.183 ( -0.440 0.000 -4.137) 4.161 5.275 ( 1.450 0.000 3.674) 3.949 5.303 ( 1.004 0.000 -4.896) 4.998 5.541 ( -11.240 0.000 -3.390) 11.740 5.602 ( -3.559 0.000 2.405) 4.296 5.855 ( -0.014 0.000 0.741) 0.742 5.867 ( 0.868 0.000 1.199) 1.480 6.145 ( -3.157 0.000 4.546) 5.534 6.416 ( 2.055 0.000 9.218) 9.445 6.436 ( -6.469 0.000 -2.378) 6.892 6.486 ( 2.980 0.000 -8.365) 8.880 6.897 ( -5.054 0.000 -0.161) 5.057 6.918 ( -6.355 0.000 -3.483) 7.247 7.086 ( -0.982 0.000 -1.082) 1.461 7.099 ( -1.127 0.000 0.948) 1.472 7.210 ( -0.678 0.000 -0.098) 0.685 7.242 ( -1.098 0.000 -3.464) 3.634 7.356 ( -0.618 0.000 2.381) 2.460 7.455 ( 0.738 0.000 -2.124) 2.249 7.808 ( 2.290 0.000 1.090) 2.536 7.828 ( 5.840 0.000 0.039) 5.840 7.969 ( 1.416 0.000 -0.615) 1.543 8.025 ( 1.941 0.000 -3.163) 3.711 8.248 ( -1.486 0.000 7.738) 7.880 8.393 ( -3.563 0.000 -4.891) 6.051 8.413 ( 1.297 0.000 8.494) 8.593 8.457 ( -0.192 0.000 -3.322) 3.328 8.531 ( -0.915 0.000 3.754) 3.864 8.556 ( -4.169 0.000 -1.744) 4.519 8.900 ( -2.741 0.000 0.708) 2.831 8.964 ( 0.391 0.000 -1.075) 1.144 9.424 ( -0.866 0.000 3.368) 3.478 9.513 ( 2.009 0.000 -1.472) 2.490 9.962 ( -2.611 0.000 -0.117) 2.614 9.988 ( -0.137 0.000 0.633) 0.648 10.309 ( -2.293 0.000 -0.320) 2.316 10.575 ( -1.941 0.000 -4.080) 4.518 10.801 ( -0.923 0.000 -1.085) 1.424 10.911 ( 3.636 0.000 0.618) 3.688 11.093 ( -5.124 0.000 -4.093) 6.558 11.127 ( 3.015 0.000 8.244) 8.778 11.209 ( 0.832 0.000 -3.196) 3.303 11.370 ( 4.541 0.000 1.268) 4.715 11.410 ( 0.383 0.000 -4.280) 4.297 11.450 ( -3.169 0.000 5.288) 6.165 11.645 ( -7.492 0.000 4.778) 8.885 11.898 ( 1.129 0.000 4.913) 5.042 12.111 ( -4.877 0.000 1.445) 5.086 12.489 ( -1.444 0.000 -5.204) 5.401 12.491 ( 0.350 0.000 0.998) 1.057 12.626 ( 3.776 0.000 1.927) 4.240 12.742 ( -1.936 0.000 5.068) 5.425 12.776 ( -0.728 0.000 -3.020) 3.106 12.992 ( 0.980 0.000 1.163) 1.521 13.221 ( 2.625 0.000 2.427) 3.575 13.346 ( 3.908 0.000 -0.065) 3.909 13.386 ( 0.652 0.000 0.252) 0.699 13.719 ( 0.042 0.000 -4.291) 4.291 13.739 ( 1.102 0.000 0.672) 1.290 15.942 ( -3.816 0.000 3.312) 5.052 15.975 ( -1.229 0.000 -0.763) 1.446 16.381 ( -1.746 0.000 0.318) 1.775 16.386 ( -1.393 0.000 -0.483) 1.474 21.322 ( 0.419 0.000 5.550) 5.566 21.391 ( -3.588 0.000 -5.920) 6.923 21.684 ( -9.619 0.000 -0.248) 9.622 21.712 ( -13.554 0.000 6.765) 15.148 22.594 ( 0.748 0.000 2.093) 2.223 22.710 ( 4.059 0.000 -3.096) 5.105 22.950 ( 2.098 0.000 4.283) 4.770 22.988 ( 0.482 0.000 -3.952) 3.981 23.136 ( -2.753 0.000 0.798) 2.866 23.288 ( 1.046 0.000 3.378) 3.536 23.347 ( -1.154 0.000 -1.622) 1.991 23.536 ( 5.362 0.000 -0.362) 5.374 23.693 ( -0.549 0.000 -1.471) 1.570 23.693 ( -0.091 0.000 0.449) 0.458 23.925 ( 0.541 0.000 3.016) 3.064 24.047 ( -3.436 0.000 -6.063) 6.969 24.151 ( -5.014 0.000 -3.798) 6.290 24.345 ( 4.404 0.000 -1.558) 4.671 24.675 ( -2.613 0.000 -1.198) 2.875 24.738 ( -12.977 0.000 7.552) 15.015 24.889 ( -3.743 0.000 2.648) 4.585 24.954 ( -3.121 0.000 -2.277) 3.863 25.192 ( 3.825 0.000 -2.862) 4.777 25.237 ( -1.089 0.000 0.919) 1.424 25.327 ( 0.889 0.000 0.916) 1.276 25.400 ( 3.853 0.000 -0.627) 3.903 25.553 ( 23.887 0.000 -11.604) 26.556 25.677 ( 15.754 0.000 5.843) 16.803 ======================= Grid point 79 (27/88) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 10.803 0.000 3.075) 11.232 1.121 ( 18.172 0.000 4.713) 18.773 1.284 ( 10.013 0.000 -10.120) 14.236 1.433 ( 17.226 0.000 -13.763) 22.049 1.846 ( -1.655 0.000 6.716) 6.917 1.960 ( -2.376 0.000 0.577) 2.445 2.006 ( 11.679 0.000 11.008) 16.049 2.086 ( 12.865 0.000 -6.470) 14.400 2.382 ( 2.309 0.000 5.292) 5.773 2.386 ( 0.516 0.000 -2.716) 2.765 2.437 ( -4.280 0.000 2.233) 4.828 2.510 ( -2.830 0.000 3.466) 4.474 2.635 ( 5.960 0.000 -7.954) 9.939 2.744 ( -9.279 0.000 -1.622) 9.420 2.765 ( -1.622 0.000 4.753) 5.022 2.801 ( -1.556 0.000 -0.879) 1.787 2.910 ( -0.159 0.000 1.103) 1.114 2.972 ( -0.512 0.000 -9.186) 9.200 2.992 ( -3.417 0.000 -0.153) 3.420 3.064 ( 4.304 0.000 6.262) 7.599 3.075 ( -2.168 0.000 -2.381) 3.221 3.203 ( 0.098 0.000 6.116) 6.117 3.314 ( -1.069 0.000 -0.862) 1.373 3.330 ( 4.593 0.000 -5.623) 7.261 3.448 ( -0.220 0.000 2.780) 2.789 3.549 ( -1.573 0.000 2.740) 3.159 3.731 ( 6.430 0.000 0.222) 6.434 3.741 ( 2.515 0.000 -5.654) 6.188 3.880 ( 5.090 0.000 1.095) 5.206 3.954 ( 0.532 0.000 -3.234) 3.277 3.994 ( -3.180 0.000 2.798) 4.236 4.099 ( 0.044 0.000 -2.012) 2.013 4.177 ( 0.841 0.000 -2.176) 2.333 4.364 ( 0.764 0.000 1.211) 1.432 4.374 ( 1.347 0.000 -4.692) 4.882 4.491 ( 9.755 0.000 1.494) 9.869 4.620 ( 3.236 0.000 -1.089) 3.414 4.649 ( -0.909 0.000 -1.045) 1.385 4.721 ( -5.129 0.000 0.782) 5.189 4.933 ( -8.031 0.000 4.934) 9.426 4.993 ( -2.844 0.000 11.409) 11.758 5.164 ( 0.703 0.000 -5.384) 5.430 5.269 ( -3.861 0.000 1.268) 4.064 5.313 ( -0.839 0.000 4.023) 4.110 5.408 ( 3.931 0.000 -11.603) 12.251 5.528 ( -4.808 0.000 0.864) 4.885 5.845 ( -2.369 0.000 0.793) 2.499 5.856 ( -1.899 0.000 -1.591) 2.477 6.103 ( -5.718 0.000 4.928) 7.549 6.316 ( -4.815 0.000 -0.585) 4.850 6.468 ( 1.130 0.000 -7.980) 8.060 6.522 ( 1.878 0.000 8.863) 9.060 6.748 ( -9.666 0.000 -0.985) 9.716 6.789 ( -5.400 0.000 0.002) 5.400 7.032 ( -2.002 0.000 -4.284) 4.729 7.109 ( 0.865 0.000 1.581) 1.802 7.177 ( -1.621 0.000 -3.391) 3.758 7.227 ( 0.678 0.000 -1.687) 1.818 7.316 ( -4.700 0.000 1.619) 4.971 7.487 ( 3.376 0.000 0.556) 3.421 7.868 ( 2.204 0.000 2.870) 3.619 7.919 ( 4.107 0.000 -3.398) 5.330 8.000 ( 2.240 0.000 0.520) 2.300 8.034 ( 1.184 0.000 -0.894) 1.484 8.276 ( -0.832 0.000 6.283) 6.338 8.304 ( -2.128 0.000 -5.126) 5.550 8.411 ( -2.254 0.000 -3.839) 4.452 8.493 ( 0.210 0.000 7.791) 7.794 8.499 ( -0.723 0.000 -2.812) 2.904 8.524 ( -2.518 0.000 3.717) 4.490 8.837 ( -5.041 0.000 0.781) 5.101 8.955 ( -0.344 0.000 -1.410) 1.452 9.437 ( -0.965 0.000 4.189) 4.298 9.544 ( 2.986 0.000 -2.159) 3.685 9.916 ( -2.274 0.000 0.190) 2.282 9.987 ( -0.256 0.000 0.186) 0.316 10.290 ( 1.803 0.000 -1.937) 2.646 10.536 ( 0.014 0.000 -1.008) 1.008 10.792 ( 0.665 0.000 -0.532) 0.852 10.974 ( 1.630 0.000 3.072) 3.478 10.979 ( -4.191 0.000 -3.616) 5.535 11.147 ( -1.247 0.000 -0.788) 1.475 11.297 ( 8.040 0.000 -2.333) 8.371 11.369 ( -0.598 0.000 -3.989) 4.034 11.397 ( -6.513 0.000 11.482) 13.201 11.493 ( 7.144 0.000 1.252) 7.253 11.672 ( 4.744 0.000 -3.045) 5.637 11.936 ( -0.810 0.000 4.578) 4.649 12.039 ( -3.625 0.000 -0.519) 3.662 12.429 ( -0.221 0.000 -6.789) 6.792 12.476 ( -2.899 0.000 2.251) 3.670 12.609 ( -8.590 0.000 6.129) 10.552 12.769 ( 1.665 0.000 -1.305) 2.116 12.799 ( 4.819 0.000 4.267) 6.437 13.012 ( 0.847 0.000 -2.644) 2.776 13.282 ( 1.231 0.000 2.458) 2.749 13.331 ( -4.605 0.000 -2.264) 5.132 13.425 ( 4.805 0.000 -0.374) 4.819 13.638 ( -4.001 0.000 -4.826) 6.269 13.822 ( 3.651 0.000 5.820) 6.871 15.922 ( -1.519 0.000 3.119) 3.469 15.943 ( -0.709 0.000 -2.400) 2.503 16.339 ( -3.125 0.000 0.368) 3.147 16.350 ( -2.078 0.000 -0.726) 2.201 21.272 ( -5.015 0.000 -5.593) 7.513 21.362 ( -0.674 0.000 5.345) 5.388 21.457 ( -10.430 0.000 -6.350) 12.211 21.589 ( -6.631 0.000 5.300) 8.489 22.633 ( 1.771 0.000 2.158) 2.792 22.781 ( 5.755 0.000 -2.536) 6.289 22.974 ( 1.121 0.000 -3.439) 3.617 22.992 ( 0.100 0.000 1.650) 1.653 23.146 ( 1.077 0.000 5.090) 5.202 23.308 ( -0.477 0.000 -2.953) 2.991 23.326 ( -1.377 0.000 5.006) 5.192 23.565 ( -0.395 0.000 -3.368) 3.392 23.696 ( 0.154 0.000 0.282) 0.321 23.710 ( 2.305 0.000 -0.290) 2.323 23.936 ( -4.076 0.000 -4.162) 5.826 23.967 ( 0.351 0.000 3.811) 3.827 24.052 ( -1.619 0.000 -3.270) 3.649 24.332 ( -3.700 0.000 -0.006) 3.700 24.625 ( -1.009 0.000 -2.292) 2.505 24.657 ( -2.941 0.000 4.796) 5.626 24.886 ( 1.000 0.000 -0.209) 1.021 24.917 ( -0.582 0.000 -0.263) 0.638 25.210 ( 1.104 0.000 -1.383) 1.770 25.233 ( -0.292 0.000 0.906) 0.951 25.360 ( 2.025 0.000 0.785) 2.172 25.463 ( 3.595 0.000 -0.439) 3.622 25.801 ( 14.114 0.000 -9.539) 17.035 25.966 ( 9.484 0.000 8.850) 12.972 ======================= Grid point 80 (28/88) ======================= q-point: ( 0.30 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 13.376 0.000 -2.931) 13.694 1.430 ( 15.730 0.000 -1.602) 15.811 1.497 ( 12.935 0.000 -0.028) 12.935 1.654 ( 11.076 0.000 -7.396) 13.319 1.796 ( 4.800 0.000 -2.942) 5.629 1.987 ( 2.700 0.000 5.330) 5.975 2.169 ( -3.759 0.000 3.709) 5.281 2.215 ( 3.211 0.000 2.109) 3.842 2.347 ( -1.415 0.000 1.146) 1.821 2.445 ( -4.408 0.000 -3.124) 5.403 2.447 ( 0.925 0.000 1.567) 1.820 2.514 ( -1.949 0.000 -3.526) 4.029 2.540 ( 1.680 0.000 4.696) 4.987 2.655 ( -2.142 0.000 -1.712) 2.742 2.740 ( -6.817 0.000 7.936) 10.462 2.823 ( 3.732 0.000 -4.395) 5.765 2.832 ( -4.300 0.000 -0.006) 4.300 2.946 ( -5.099 0.000 -0.903) 5.178 2.995 ( -5.093 0.000 -1.619) 5.344 3.060 ( 18.339 0.000 -7.084) 19.659 3.146 ( 3.343 0.000 0.789) 3.435 3.274 ( -2.057 0.000 -0.646) 2.156 3.337 ( 3.858 0.000 2.002) 4.347 3.418 ( 9.627 0.000 5.633) 11.154 3.497 ( 2.209 0.000 3.045) 3.762 3.560 ( -1.021 0.000 4.429) 4.545 3.757 ( 3.309 0.000 -4.339) 5.456 3.836 ( -0.508 0.000 4.850) 4.877 3.917 ( -3.565 0.000 1.805) 3.996 3.957 ( 10.265 0.000 -11.396) 15.338 3.984 ( 1.632 0.000 0.142) 1.639 4.039 ( -1.911 0.000 -4.544) 4.930 4.196 ( -0.294 0.000 2.832) 2.847 4.390 ( 1.903 0.000 0.788) 2.060 4.392 ( 4.579 0.000 -4.032) 6.101 4.570 ( -4.306 0.000 -1.960) 4.731 4.609 ( -3.198 0.000 -0.291) 3.211 4.646 ( 3.814 0.000 -3.887) 5.445 4.703 ( 5.492 0.000 -0.718) 5.538 4.796 ( -10.734 0.000 5.922) 12.259 5.040 ( -3.963 0.000 13.544) 14.112 5.105 ( -2.925 0.000 -2.795) 4.046 5.249 ( 1.156 0.000 -0.578) 1.292 5.292 ( -5.066 0.000 5.070) 7.167 5.434 ( 6.513 0.000 -10.329) 12.211 5.482 ( -0.443 0.000 0.088) 0.452 5.774 ( -5.889 0.000 0.238) 5.893 5.785 ( -4.197 0.000 -2.036) 4.665 6.015 ( -7.623 0.000 4.157) 8.683 6.272 ( -0.803 0.000 2.113) 2.260 6.404 ( -1.502 0.000 -7.824) 7.967 6.592 ( -6.718 0.000 -0.114) 6.719 6.592 ( -0.270 0.000 4.676) 4.684 6.759 ( 1.156 0.000 2.782) 3.013 6.970 ( -1.327 0.000 -3.947) 4.164 7.110 ( -1.602 0.000 -6.367) 6.565 7.143 ( 0.094 0.000 3.119) 3.121 7.223 ( -0.244 0.000 -0.623) 0.669 7.235 ( -5.227 0.000 2.989) 6.021 7.570 ( 4.701 0.000 2.066) 5.135 7.885 ( -2.537 0.000 -7.076) 7.518 7.909 ( 0.022 0.000 2.504) 2.504 8.062 ( 3.256 0.000 2.910) 4.367 8.070 ( 2.248 0.000 0.746) 2.368 8.246 ( -0.694 0.000 -3.592) 3.659 8.317 ( 0.744 0.000 4.270) 4.334 8.319 ( -4.304 0.000 -4.394) 6.151 8.483 ( 1.223 0.000 -3.127) 3.358 8.491 ( -2.377 0.000 1.532) 2.827 8.548 ( -1.051 0.000 6.655) 6.738 8.739 ( -5.948 0.000 0.029) 5.948 8.933 ( -0.526 0.000 -2.115) 2.179 9.448 ( -1.761 0.000 4.991) 5.292 9.583 ( 3.478 0.000 -3.088) 4.651 9.892 ( -0.712 0.000 0.500) 0.870 9.982 ( -0.194 0.000 -0.477) 0.515 10.349 ( 5.411 0.000 -0.279) 5.418 10.555 ( 2.849 0.000 -1.515) 3.227 10.807 ( -0.322 0.000 1.220) 1.261 10.905 ( -0.556 0.000 -2.466) 2.528 11.001 ( -2.896 0.000 5.994) 6.657 11.122 ( 1.859 0.000 -6.077) 6.355 11.322 ( -1.670 0.000 -3.242) 3.647 11.325 ( -0.164 0.000 -3.055) 3.060 11.480 ( 3.573 0.000 10.483) 11.075 11.640 ( 7.990 0.000 1.528) 8.134 11.724 ( 3.780 0.000 -3.380) 5.070 11.940 ( -1.578 0.000 2.696) 3.124 11.982 ( -1.726 0.000 -1.371) 2.204 12.367 ( -1.867 0.000 -8.345) 8.551 12.439 ( -3.681 0.000 4.334) 5.686 12.484 ( -7.948 0.000 4.940) 9.358 12.811 ( 3.068 0.000 0.716) 3.150 12.919 ( 2.028 0.000 3.939) 4.431 12.978 ( 1.039 0.000 -4.089) 4.219 13.263 ( -0.965 0.000 -0.770) 1.235 13.268 ( -4.675 0.000 0.815) 4.745 13.482 ( 3.848 0.000 -8.301) 9.150 13.570 ( -1.008 0.000 3.683) 3.819 13.888 ( -1.122 0.000 4.414) 4.554 15.926 ( -0.419 0.000 2.293) 2.330 15.928 ( 1.292 0.000 -2.613) 2.915 16.282 ( -3.611 0.000 0.649) 3.669 16.306 ( -2.071 0.000 -0.878) 2.250 21.143 ( -4.431 0.000 -4.124) 6.054 21.288 ( -4.254 0.000 -4.034) 5.863 21.373 ( -1.769 0.000 3.261) 3.710 21.528 ( -3.821 0.000 1.893) 4.264 22.684 ( 1.972 0.000 2.433) 3.132 22.862 ( 5.310 0.000 -2.501) 5.870 22.977 ( 1.373 0.000 -1.758) 2.230 22.995 ( -0.487 0.000 0.791) 0.929 23.221 ( 2.507 0.000 5.371) 5.927 23.264 ( -0.924 0.000 -4.203) 4.304 23.337 ( -2.367 0.000 6.259) 6.692 23.513 ( -2.045 0.000 -4.422) 4.873 23.704 ( 0.471 0.000 0.282) 0.548 23.722 ( -0.497 0.000 -0.897) 1.025 23.855 ( -2.279 0.000 -2.296) 3.235 23.920 ( -4.478 0.000 1.139) 4.621 24.109 ( 5.161 0.000 0.743) 5.214 24.257 ( -4.019 0.000 -0.529) 4.054 24.607 ( 0.418 0.000 -1.481) 1.539 24.656 ( -0.717 0.000 2.055) 2.177 24.909 ( 1.597 0.000 -0.216) 1.611 24.916 ( 0.185 0.000 0.368) 0.412 25.221 ( 1.077 0.000 -0.722) 1.297 25.237 ( -0.132 0.000 1.011) 1.020 25.403 ( 2.030 0.000 0.599) 2.117 25.514 ( 2.616 0.000 -1.209) 2.882 25.944 ( 8.756 0.000 -4.998) 10.082 26.130 ( 3.094 0.000 6.208) 6.937 ======================= Grid point 81 (29/88) ======================= q-point: ( 0.40 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 13.363 0.000 4.150) 13.992 1.624 ( 2.303 0.000 -1.485) 2.740 1.685 ( 9.191 0.000 -1.313) 9.284 1.702 ( 10.214 0.000 -1.976) 10.404 2.033 ( 18.333 0.000 -6.834) 19.565 2.055 ( -0.207 0.000 -0.009) 0.207 2.079 ( -9.364 0.000 7.663) 12.100 2.238 ( 0.868 0.000 -0.850) 1.215 2.275 ( -7.835 0.000 6.476) 10.165 2.345 ( -0.267 0.000 -1.681) 1.702 2.423 ( -2.524 0.000 -4.125) 4.836 2.553 ( 2.712 0.000 -1.681) 3.191 2.566 ( -0.668 0.000 1.277) 1.441 2.655 ( 3.199 0.000 -0.001) 3.199 2.661 ( -6.273 0.000 0.799) 6.324 2.773 ( -5.075 0.000 5.277) 7.321 2.838 ( -6.749 0.000 1.866) 7.002 2.850 ( 3.151 0.000 -2.719) 4.162 2.890 ( -4.521 0.000 -1.030) 4.637 3.159 ( -0.004 0.000 -4.734) 4.734 3.245 ( -0.604 0.000 -0.325) 0.686 3.357 ( 11.468 0.000 0.073) 11.468 3.377 ( -0.134 0.000 -0.007) 0.134 3.567 ( 3.112 0.000 0.593) 3.168 3.575 ( 6.411 0.000 1.093) 6.504 3.639 ( 3.497 0.000 8.907) 9.569 3.774 ( 0.841 0.000 -2.419) 2.561 3.785 ( -1.938 0.000 -4.247) 4.668 3.873 ( -0.065 0.000 2.076) 2.077 3.980 ( -1.014 0.000 -3.687) 3.824 4.004 ( 1.197 0.000 -0.668) 1.371 4.146 ( 12.280 0.000 -3.953) 12.901 4.205 ( -1.731 0.000 5.028) 5.317 4.442 ( 2.959 0.000 -2.446) 3.839 4.466 ( -3.222 0.000 -3.239) 4.569 4.483 ( 5.562 0.000 -1.301) 5.713 4.516 ( -2.981 0.000 -3.056) 4.269 4.658 ( 1.863 0.000 -4.185) 4.581 4.691 ( -5.964 0.000 6.822) 9.062 4.809 ( 4.848 0.000 0.069) 4.848 5.001 ( -9.087 0.000 7.202) 11.595 5.014 ( -5.729 0.000 -1.407) 5.900 5.247 ( -4.703 0.000 6.914) 8.363 5.288 ( 3.097 0.000 -0.445) 3.129 5.469 ( 4.708 0.000 -6.464) 7.997 5.500 ( 1.723 0.000 0.638) 1.838 5.658 ( -6.645 0.000 -0.237) 6.649 5.702 ( -2.759 0.000 -1.844) 3.319 5.925 ( -5.501 0.000 4.885) 7.357 6.293 ( -1.011 0.000 -4.304) 4.422 6.324 ( 0.355 0.000 1.076) 1.133 6.522 ( -2.236 0.000 2.405) 3.284 6.590 ( -1.408 0.000 -0.058) 1.409 6.834 ( 4.027 0.000 1.039) 4.159 6.936 ( 0.666 0.000 -2.985) 3.058 7.019 ( -4.361 0.000 -5.223) 6.805 7.110 ( -2.353 0.000 -0.637) 2.438 7.208 ( -1.168 0.000 -0.197) 1.184 7.246 ( 0.129 0.000 8.858) 8.859 7.681 ( 5.636 0.000 2.947) 6.360 7.765 ( -4.281 0.000 -7.058) 8.255 7.912 ( -1.185 0.000 1.125) 1.634 8.103 ( 1.222 0.000 -0.755) 1.437 8.133 ( 0.510 0.000 2.536) 2.587 8.222 ( -1.131 0.000 -2.054) 2.345 8.229 ( 0.324 0.000 -1.498) 1.533 8.348 ( -0.426 0.000 1.660) 1.714 8.458 ( -1.639 0.000 -0.443) 1.698 8.491 ( 2.033 0.000 -2.659) 3.347 8.546 ( -3.614 0.000 1.764) 4.022 8.662 ( -2.457 0.000 2.646) 3.611 8.906 ( -0.323 0.000 -3.106) 3.122 9.449 ( -2.405 0.000 5.281) 5.802 9.618 ( 3.232 0.000 -3.667) 4.888 9.893 ( 0.028 0.000 0.877) 0.877 9.974 ( -0.119 0.000 -0.997) 1.004 10.455 ( 5.427 0.000 1.329) 5.587 10.605 ( 4.348 0.000 -2.799) 5.171 10.772 ( -3.823 0.000 2.084) 4.354 10.945 ( 4.526 0.000 0.630) 4.569 10.952 ( -6.243 0.000 3.724) 7.269 11.129 ( 3.196 0.000 -4.979) 5.917 11.263 ( -2.661 0.000 -2.139) 3.414 11.295 ( -1.286 0.000 -2.095) 2.458 11.600 ( 2.316 0.000 6.390) 6.797 11.767 ( 3.311 0.000 -0.450) 3.341 11.781 ( 5.969 0.000 1.382) 6.127 11.930 ( 0.200 0.000 -1.007) 1.027 11.966 ( 1.486 0.000 -2.451) 2.866 12.211 ( -8.350 0.000 -5.429) 9.960 12.415 ( -3.943 0.000 7.048) 8.076 12.460 ( 1.527 0.000 2.209) 2.685 12.861 ( -3.213 0.000 -4.280) 5.352 12.863 ( 1.485 0.000 -0.360) 1.528 13.063 ( 3.340 0.000 4.580) 5.668 13.166 ( -4.855 0.000 -0.241) 4.861 13.268 ( 1.222 0.000 -0.684) 1.401 13.461 ( 1.833 0.000 -8.764) 8.954 13.625 ( 1.477 0.000 5.804) 5.989 13.861 ( -3.431 0.000 1.098) 3.602 15.935 ( -0.407 0.000 1.519) 1.573 15.946 ( 2.357 0.000 -1.792) 2.961 16.228 ( -2.958 0.000 1.037) 3.135 16.269 ( -1.160 0.000 -1.003) 1.533 21.081 ( -0.839 0.000 0.218) 0.867 21.229 ( -0.812 0.000 -0.378) 0.896 21.347 ( -2.342 0.000 -0.131) 2.346 21.473 ( -2.617 0.000 -1.675) 3.107 22.737 ( 1.492 0.000 3.172) 3.506 22.921 ( 3.117 0.000 -2.680) 4.111 22.992 ( 0.725 0.000 0.311) 0.789 22.994 ( -0.142 0.000 1.012) 1.022 23.224 ( 0.046 0.000 -3.682) 3.683 23.308 ( 3.553 0.000 2.487) 4.337 23.336 ( -2.642 0.000 5.673) 6.258 23.424 ( -4.029 0.000 -3.940) 5.636 23.700 ( -0.888 0.000 -0.231) 0.918 23.714 ( 0.331 0.000 0.251) 0.415 23.820 ( -0.501 0.000 -0.610) 0.790 23.873 ( -1.769 0.000 0.901) 1.986 24.176 ( 2.119 0.000 -1.243) 2.456 24.194 ( -2.118 0.000 -1.340) 2.506 24.614 ( 0.925 0.000 0.106) 0.931 24.656 ( -0.560 0.000 0.970) 1.120 24.924 ( 0.242 0.000 0.450) 0.511 24.932 ( 1.102 0.000 -0.219) 1.124 25.237 ( 0.941 0.000 0.090) 0.945 25.242 ( -0.327 0.000 1.212) 1.256 25.435 ( 1.134 0.000 0.370) 1.193 25.535 ( 1.330 0.000 -2.254) 2.617 26.045 ( 5.489 0.000 -1.354) 5.654 26.183 ( -0.424 0.000 2.430) 2.466 ======================= Grid point 82 (30/88) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -2.572 0.000 0.871) 2.715 1.633 ( 1.379 0.000 0.002) 1.379 1.868 ( 5.129 0.000 2.085) 5.536 1.880 ( 11.076 0.000 5.419) 12.331 1.938 ( -10.068 0.000 1.908) 10.247 2.052 ( 1.133 0.000 2.256) 2.525 2.191 ( -9.725 0.000 6.365) 11.623 2.195 ( 2.495 0.000 -6.560) 7.019 2.277 ( -2.967 0.000 -1.015) 3.136 2.335 ( 7.119 0.000 -9.040) 11.507 2.353 ( 2.605 0.000 0.070) 2.606 2.521 ( -7.061 0.000 1.416) 7.201 2.599 ( 2.974 0.000 0.603) 3.034 2.602 ( 4.092 0.000 -4.562) 6.128 2.713 ( 1.636 0.000 2.715) 3.170 2.726 ( -3.639 0.000 4.519) 5.803 2.733 ( -5.903 0.000 1.334) 6.051 2.852 ( 1.786 0.000 0.202) 1.798 2.924 ( 6.533 0.000 -1.833) 6.785 3.115 ( 0.490 0.000 -7.029) 7.046 3.253 ( 1.342 0.000 0.690) 1.509 3.320 ( -4.549 0.000 -1.944) 4.947 3.383 ( -7.430 0.000 6.988) 10.200 3.621 ( -3.968 0.000 -1.260) 4.163 3.649 ( 0.004 0.000 0.326) 0.326 3.696 ( 4.547 0.000 -1.768) 4.879 3.778 ( 1.391 0.000 1.729) 2.219 3.796 ( 1.824 0.000 1.008) 2.084 3.893 ( -0.979 0.000 0.049) 0.980 3.953 ( 1.145 0.000 -3.561) 3.740 4.109 ( 9.850 0.000 3.416) 10.426 4.158 ( -7.014 0.000 4.796) 8.497 4.286 ( 6.198 0.000 -5.876) 8.541 4.350 ( -4.263 0.000 -3.578) 5.566 4.411 ( 0.570 0.000 -4.665) 4.700 4.496 ( 2.052 0.000 -4.038) 4.529 4.584 ( -3.578 0.000 5.904) 6.903 4.638 ( -0.216 0.000 -4.650) 4.655 4.698 ( 1.080 0.000 3.101) 3.283 4.853 ( -0.907 0.000 -3.233) 3.358 4.894 ( -4.241 0.000 5.891) 7.259 4.946 ( 1.698 0.000 1.220) 2.091 5.209 ( -4.989 0.000 5.088) 7.126 5.324 ( 0.790 0.000 0.528) 0.950 5.517 ( 4.833 0.000 -3.116) 5.751 5.536 ( -3.447 0.000 2.800) 4.441 5.567 ( 2.428 0.000 -2.776) 3.688 5.679 ( 2.003 0.000 -2.216) 2.987 5.914 ( -0.826 0.000 7.154) 7.201 6.198 ( -2.247 0.000 -6.654) 7.023 6.406 ( 3.886 0.000 4.323) 5.813 6.541 ( 0.796 0.000 5.521) 5.578 6.547 ( -2.140 0.000 -3.077) 3.747 6.866 ( -1.983 0.000 -9.280) 9.489 6.898 ( -1.645 0.000 0.800) 1.829 6.957 ( 3.644 0.000 -1.293) 3.867 7.113 ( 1.746 0.000 1.875) 2.562 7.179 ( -1.501 0.000 -1.084) 1.852 7.323 ( 0.297 0.000 9.894) 9.898 7.646 ( -3.538 0.000 -5.916) 6.893 7.813 ( 6.688 0.000 3.101) 7.372 7.877 ( -2.789 0.000 -1.049) 2.980 8.098 ( -0.602 0.000 -2.095) 2.180 8.100 ( -1.595 0.000 -1.875) 2.462 8.247 ( 2.304 0.000 2.078) 3.103 8.276 ( 3.150 0.000 3.315) 4.573 8.316 ( -2.873 0.000 -1.165) 3.100 8.426 ( -0.814 0.000 -3.382) 3.478 8.470 ( -4.188 0.000 -0.261) 4.196 8.512 ( 2.058 0.000 -1.573) 2.590 8.686 ( 0.950 0.000 4.833) 4.926 8.878 ( 0.418 0.000 -4.316) 4.336 9.442 ( -2.750 0.000 5.045) 5.746 9.638 ( 2.030 0.000 -3.584) 4.119 9.901 ( -0.093 0.000 1.270) 1.273 9.963 ( -0.043 0.000 -1.377) 1.378 10.528 ( 0.502 0.000 1.626) 1.702 10.649 ( 2.686 0.000 -4.152) 4.946 10.746 ( -0.587 0.000 3.934) 3.977 10.863 ( -5.089 0.000 1.525) 5.313 11.032 ( 2.485 0.000 3.734) 4.485 11.146 ( 1.766 0.000 -3.377) 3.811 11.210 ( -0.691 0.000 -2.312) 2.413 11.242 ( -2.112 0.000 -3.908) 4.442 11.658 ( -0.438 0.000 5.857) 5.874 11.828 ( -2.010 0.000 1.539) 2.531 11.842 ( 3.504 0.000 3.666) 5.071 11.954 ( 4.177 0.000 -7.684) 8.746 11.987 ( 2.750 0.000 -3.354) 4.337 12.042 ( -4.874 0.000 -2.730) 5.587 12.397 ( -4.733 0.000 8.278) 9.536 12.549 ( 4.635 0.000 5.632) 7.294 12.779 ( -1.478 0.000 -6.173) 6.347 12.834 ( -1.622 0.000 -4.247) 4.547 13.132 ( 0.189 0.000 5.702) 5.706 13.148 ( 1.327 0.000 2.446) 2.783 13.268 ( -0.448 0.000 -2.080) 2.128 13.418 ( 0.268 0.000 -7.990) 7.995 13.693 ( 1.474 0.000 5.548) 5.740 13.811 ( -1.858 0.000 -1.002) 2.111 15.929 ( -1.269 0.000 0.800) 1.500 15.972 ( 1.474 0.000 -1.039) 1.804 16.202 ( -0.658 0.000 1.221) 1.387 16.255 ( 0.548 0.000 -1.019) 1.157 21.112 ( 2.359 0.000 4.008) 4.651 21.248 ( 1.890 0.000 2.526) 3.154 21.293 ( -2.085 0.000 -3.446) 4.028 21.410 ( -1.741 0.000 -4.611) 4.929 22.778 ( -0.151 0.000 4.037) 4.040 22.925 ( 0.082 0.000 -2.970) 2.971 23.002 ( -0.165 0.000 1.001) 1.014 23.014 ( 1.155 0.000 1.417) 1.828 23.220 ( 1.611 0.000 -1.594) 2.266 23.269 ( -5.862 0.000 -4.586) 7.443 23.333 ( -1.669 0.000 4.342) 4.652 23.429 ( 4.775 0.000 0.941) 4.866 23.697 ( 0.426 0.000 0.576) 0.716 23.716 ( -0.223 0.000 -0.134) 0.260 23.826 ( 0.931 0.000 0.876) 1.278 23.860 ( -0.451 0.000 0.304) 0.544 24.165 ( 0.060 0.000 -1.645) 1.646 24.168 ( -0.722 0.000 -2.901) 2.989 24.638 ( 1.051 0.000 1.207) 1.601 24.650 ( -0.721 0.000 0.351) 0.802 24.927 ( -0.347 0.000 0.401) 0.530 24.941 ( 0.095 0.000 -0.239) 0.257 25.242 ( -0.662 0.000 1.218) 1.386 25.252 ( 0.381 0.000 0.706) 0.802 25.447 ( -0.154 0.000 0.410) 0.438 25.529 ( 0.203 0.000 -2.942) 2.949 26.120 ( 2.944 0.000 1.360) 3.243 26.160 ( -2.801 0.000 -0.437) 2.835 ======================= Grid point 83 (31/88) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -9.828 0.000 3.317) 10.372 1.669 ( 1.877 0.000 -0.264) 1.896 1.777 ( -6.364 0.000 -4.267) 7.662 1.849 ( -12.786 0.000 3.010) 13.135 1.891 ( -14.689 0.000 0.340) 14.693 1.993 ( -8.098 0.000 -10.141) 12.977 2.115 ( 5.158 0.000 7.413) 9.031 2.196 ( 4.406 0.000 3.095) 5.384 2.273 ( 0.240 0.000 0.388) 0.456 2.382 ( -3.418 0.000 -1.963) 3.942 2.453 ( 3.389 0.000 -3.330) 4.751 2.458 ( 7.903 0.000 3.386) 8.598 2.578 ( -4.809 0.000 -1.319) 4.986 2.644 ( 0.455 0.000 1.543) 1.609 2.690 ( 1.415 0.000 -1.398) 1.990 2.760 ( 0.873 0.000 5.605) 5.673 2.801 ( 8.839 0.000 -0.793) 8.875 2.937 ( 5.617 0.000 2.635) 6.204 3.045 ( 7.553 0.000 -0.591) 7.576 3.070 ( 1.206 0.000 -8.851) 8.933 3.204 ( -7.904 0.000 -2.105) 8.180 3.279 ( -2.424 0.000 3.171) 3.991 3.316 ( -2.298 0.000 5.929) 6.359 3.452 ( -8.069 0.000 -3.482) 8.788 3.637 ( -3.779 0.000 1.789) 4.181 3.667 ( -7.292 0.000 0.944) 7.353 3.776 ( -3.958 0.000 -2.101) 4.481 3.833 ( 2.853 0.000 -0.429) 2.885 3.892 ( -0.828 0.000 3.377) 3.477 3.960 ( 2.714 0.000 -4.873) 5.578 4.086 ( -1.117 0.000 3.303) 3.487 4.173 ( -5.561 0.000 2.404) 6.058 4.328 ( 5.048 0.000 -7.329) 8.899 4.352 ( -5.529 0.000 -3.580) 6.587 4.398 ( 3.119 0.000 -2.896) 4.257 4.439 ( 3.798 0.000 -2.350) 4.466 4.532 ( -6.073 0.000 7.539) 9.681 4.647 ( 4.784 0.000 -9.480) 10.619 4.692 ( -3.875 0.000 5.101) 6.405 4.784 ( -1.437 0.000 1.633) 2.175 4.930 ( 0.892 0.000 4.359) 4.449 5.067 ( 7.918 0.000 0.769) 7.955 5.145 ( -5.273 0.000 2.365) 5.779 5.334 ( -1.197 0.000 3.107) 3.330 5.462 ( -3.052 0.000 -1.395) 3.356 5.598 ( 6.791 0.000 -3.611) 7.691 5.661 ( 6.800 0.000 -0.450) 6.815 5.731 ( 5.398 0.000 -1.177) 5.525 5.978 ( 0.564 0.000 8.179) 8.198 6.140 ( 1.190 0.000 -5.308) 5.440 6.471 ( -2.942 0.000 -4.771) 5.605 6.505 ( 3.954 0.000 3.447) 5.246 6.622 ( 2.671 0.000 7.075) 7.563 6.730 ( -4.402 0.000 -4.843) 6.545 6.919 ( 3.778 0.000 -4.089) 5.567 7.039 ( 5.116 0.000 1.200) 5.255 7.142 ( -0.570 0.000 -3.612) 3.656 7.166 ( 1.875 0.000 1.890) 2.662 7.399 ( -0.379 0.000 10.295) 10.302 7.552 ( -2.668 0.000 -5.007) 5.673 7.812 ( -2.218 0.000 -3.045) 3.767 7.948 ( 5.333 0.000 1.198) 5.466 8.065 ( -0.628 0.000 -0.275) 0.686 8.070 ( -1.266 0.000 -0.211) 1.284 8.249 ( -2.909 0.000 -2.420) 3.784 8.319 ( 3.046 0.000 3.187) 4.408 8.363 ( 3.822 0.000 3.507) 5.187 8.366 ( -2.306 0.000 -5.445) 5.914 8.417 ( -1.651 0.000 -0.064) 1.652 8.539 ( 1.638 0.000 0.120) 1.642 8.747 ( 1.897 0.000 4.399) 4.790 8.862 ( 1.858 0.000 -5.272) 5.589 9.429 ( -2.659 0.000 4.577) 5.294 9.634 ( 0.218 0.000 -2.945) 2.953 9.908 ( -0.235 0.000 1.634) 1.650 9.952 ( 0.109 0.000 -1.752) 1.756 10.502 ( -4.067 0.000 2.542) 4.796 10.606 ( -3.736 0.000 -4.559) 5.895 10.803 ( 2.263 0.000 4.644) 5.166 10.830 ( 0.601 0.000 -0.174) 0.626 11.060 ( -2.815 0.000 5.767) 6.418 11.104 ( -2.621 0.000 -7.169) 7.633 11.198 ( -0.085 0.000 -0.912) 0.916 11.229 ( 4.768 0.000 -3.334) 5.818 11.681 ( -2.526 0.000 6.623) 7.088 11.761 ( -6.077 0.000 0.492) 6.096 11.878 ( -2.771 0.000 -4.990) 5.708 11.929 ( 1.309 0.000 7.022) 7.143 12.001 ( 1.944 0.000 -3.100) 3.660 12.070 ( 7.632 0.000 -7.540) 10.728 12.382 ( -2.037 0.000 5.821) 6.168 12.646 ( -1.898 0.000 6.709) 6.972 12.747 ( 4.565 0.000 -5.880) 7.444 12.796 ( 0.437 0.000 -1.982) 2.030 13.161 ( -1.360 0.000 5.913) 6.067 13.191 ( 0.879 0.000 0.360) 0.950 13.237 ( -0.431 0.000 -1.848) 1.898 13.357 ( -0.238 0.000 -7.356) 7.360 13.768 ( 2.329 0.000 6.277) 6.695 13.776 ( -0.840 0.000 -2.735) 2.861 15.901 ( -2.205 0.000 0.098) 2.207 15.980 ( 0.119 0.000 -0.374) 0.392 16.224 ( 2.001 0.000 0.881) 2.186 16.273 ( 2.156 0.000 -0.843) 2.315 21.214 ( 4.732 0.000 5.645) 7.366 21.231 ( -1.028 0.000 -5.431) 5.527 21.328 ( 4.253 0.000 4.100) 5.908 21.346 ( -0.931 0.000 -6.221) 6.291 22.782 ( -3.001 0.000 4.312) 5.253 22.893 ( -0.907 0.000 -3.297) 3.420 23.009 ( 0.522 0.000 0.368) 0.639 23.048 ( 1.402 0.000 1.673) 2.183 23.124 ( -6.719 0.000 -3.295) 7.483 23.242 ( 0.645 0.000 1.148) 1.316 23.350 ( 0.634 0.000 2.734) 2.807 23.517 ( 4.758 0.000 -1.183) 4.903 23.707 ( -0.395 0.000 -0.310) 0.502 23.717 ( 1.114 0.000 0.325) 1.161 23.851 ( -0.308 0.000 -1.515) 1.546 23.864 ( 2.339 0.000 1.557) 2.809 24.135 ( -0.676 0.000 -0.462) 0.819 24.167 ( 1.482 0.000 -1.905) 2.413 24.633 ( -1.232 0.000 -0.314) 1.271 24.664 ( 0.732 0.000 1.247) 1.446 24.917 ( -0.995 0.000 0.299) 1.039 24.934 ( -0.755 0.000 -0.064) 0.758 25.234 ( -1.132 0.000 0.652) 1.306 25.258 ( -0.351 0.000 0.770) 0.846 25.438 ( -1.348 0.000 1.021) 1.691 25.502 ( -0.725 0.000 -2.961) 3.049 26.079 ( -5.295 0.000 -2.323) 5.782 26.172 ( 1.147 0.000 3.351) 3.542 ======================= Grid point 84 (32/88) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -16.545 0.000 5.585) 17.462 1.453 ( -22.807 0.000 -10.654) 25.173 1.583 ( -8.690 0.000 -7.411) 11.421 1.663 ( -2.568 0.000 -4.069) 4.811 1.731 ( -1.252 0.000 1.486) 1.943 1.862 ( -10.294 0.000 4.452) 11.215 2.183 ( -10.189 0.000 2.827) 10.574 2.234 ( 2.562 0.000 3.022) 3.962 2.303 ( 5.498 0.000 3.624) 6.585 2.331 ( -2.047 0.000 -0.410) 2.088 2.439 ( -4.450 0.000 2.519) 5.113 2.558 ( 5.884 0.000 -4.783) 7.583 2.584 ( 1.504 0.000 0.113) 1.508 2.679 ( -0.498 0.000 -4.832) 4.858 2.687 ( 4.404 0.000 5.184) 6.802 2.823 ( 0.552 0.000 5.518) 5.545 2.892 ( -2.025 0.000 -5.673) 6.023 3.026 ( 0.465 0.000 -3.137) 3.171 3.049 ( 2.934 0.000 2.531) 3.875 3.063 ( 1.834 0.000 -5.393) 5.696 3.154 ( 4.770 0.000 -1.268) 4.936 3.257 ( -0.101 0.000 0.480) 0.490 3.328 ( -6.865 0.000 12.872) 14.588 3.378 ( 1.745 0.000 -3.965) 4.332 3.541 ( -5.960 0.000 3.102) 6.719 3.564 ( -4.746 0.000 -0.335) 4.758 3.661 ( -4.988 0.000 0.175) 4.991 3.884 ( -2.337 0.000 3.213) 3.973 3.891 ( 3.878 0.000 0.306) 3.890 3.965 ( 1.111 0.000 -3.497) 3.669 4.058 ( -6.503 0.000 -13.041) 14.573 4.132 ( -8.857 0.000 4.493) 9.932 4.134 ( 1.595 0.000 1.815) 2.417 4.363 ( 5.643 0.000 -9.086) 10.696 4.471 ( -2.390 0.000 5.495) 5.993 4.491 ( 2.986 0.000 -3.255) 4.417 4.532 ( 3.679 0.000 1.289) 3.899 4.591 ( -1.859 0.000 -4.545) 4.911 4.651 ( -4.003 0.000 2.924) 4.957 4.865 ( 5.524 0.000 3.221) 6.395 4.946 ( -5.125 0.000 7.763) 9.302 5.080 ( -0.782 0.000 -2.678) 2.790 5.218 ( 7.799 0.000 2.882) 8.315 5.321 ( -3.016 0.000 3.502) 4.621 5.423 ( 0.644 0.000 -3.165) 3.230 5.663 ( 4.083 0.000 -5.798) 7.092 5.772 ( 5.612 0.000 -0.720) 5.658 5.855 ( 8.654 0.000 -1.282) 8.748 6.022 ( -3.247 0.000 9.160) 9.718 6.171 ( 5.806 0.000 -3.332) 6.694 6.380 ( -3.244 0.000 -4.342) 5.420 6.599 ( 3.779 0.000 2.881) 4.752 6.674 ( 1.492 0.000 -2.514) 2.923 6.727 ( 3.808 0.000 5.682) 6.840 6.969 ( 5.272 0.000 -4.188) 6.733 7.089 ( -0.991 0.000 -1.800) 2.055 7.158 ( 5.932 0.000 -1.432) 6.103 7.196 ( 0.515 0.000 0.160) 0.539 7.446 ( -3.242 0.000 9.434) 9.975 7.475 ( -1.771 0.000 -4.901) 5.211 7.773 ( 0.475 0.000 -2.624) 2.667 7.957 ( -1.665 0.000 -2.036) 2.630 8.047 ( -1.716 0.000 1.024) 1.998 8.132 ( 3.269 0.000 4.261) 5.371 8.185 ( -2.212 0.000 -0.828) 2.362 8.271 ( -2.950 0.000 -6.509) 7.146 8.385 ( 2.190 0.000 2.001) 2.966 8.407 ( 0.651 0.000 -0.396) 0.762 8.453 ( 3.495 0.000 2.116) 4.085 8.578 ( 1.547 0.000 3.010) 3.384 8.813 ( 2.179 0.000 3.310) 3.963 8.868 ( 3.277 0.000 -5.118) 6.077 9.420 ( -1.960 0.000 4.156) 4.595 9.604 ( -1.393 0.000 -2.163) 2.573 9.920 ( 0.161 0.000 1.874) 1.881 9.944 ( 0.534 0.000 -1.867) 1.942 10.448 ( -4.281 0.000 3.631) 5.613 10.481 ( -5.533 0.000 -5.686) 7.934 10.851 ( 1.581 0.000 -0.643) 1.707 10.866 ( 0.491 0.000 4.775) 4.800 10.982 ( -3.889 0.000 -8.181) 9.059 11.058 ( -1.052 0.000 4.524) 4.645 11.200 ( -0.161 0.000 1.203) 1.214 11.290 ( 4.331 0.000 -3.513) 5.577 11.645 ( -6.148 0.000 3.623) 7.136 11.648 ( -6.683 0.000 1.428) 6.834 11.814 ( -0.741 0.000 -4.552) 4.612 11.979 ( -0.857 0.000 8.101) 8.146 12.049 ( 3.692 0.000 1.993) 4.196 12.156 ( 9.443 0.000 -9.976) 13.737 12.431 ( 3.202 0.000 4.746) 5.725 12.619 ( -1.496 0.000 -0.965) 1.781 12.773 ( -1.637 0.000 1.176) 2.015 12.813 ( 1.314 0.000 1.382) 1.907 13.151 ( -3.309 0.000 -5.204) 6.167 13.171 ( -3.462 0.000 5.749) 6.711 13.266 ( 5.319 0.000 -0.077) 5.319 13.316 ( 0.702 0.000 -4.954) 5.003 13.732 ( -1.447 0.000 -3.587) 3.868 13.873 ( 3.847 0.000 6.985) 7.974 15.857 ( -2.540 0.000 -0.286) 2.556 15.978 ( 0.019 0.000 -0.103) 0.104 16.276 ( 3.056 0.000 0.385) 3.080 16.313 ( 2.822 0.000 -0.615) 2.888 21.182 ( 0.344 0.000 -5.895) 5.905 21.289 ( -0.332 0.000 -5.632) 5.642 21.345 ( 5.196 0.000 4.735) 7.030 21.452 ( 6.105 0.000 3.748) 7.164 22.739 ( -4.977 0.000 3.711) 6.208 22.849 ( -0.964 0.000 -3.553) 3.681 22.986 ( -5.908 0.000 -2.914) 6.588 23.025 ( 1.039 0.000 -0.186) 1.056 23.093 ( 1.161 0.000 3.688) 3.866 23.257 ( -0.168 0.000 2.213) 2.220 23.385 ( 0.901 0.000 1.951) 2.149 23.571 ( 2.797 0.000 -2.823) 3.975 23.700 ( -0.365 0.000 0.026) 0.366 23.728 ( -0.022 0.000 -0.636) 0.637 23.828 ( -0.072 0.000 -2.550) 2.551 23.934 ( 4.465 0.000 1.469) 4.700 24.158 ( 1.905 0.000 3.566) 4.043 24.176 ( 1.356 0.000 -3.594) 3.841 24.600 ( -2.075 0.000 -0.691) 2.187 24.685 ( 0.756 0.000 1.296) 1.500 24.901 ( -0.739 0.000 -0.109) 0.747 24.917 ( -1.083 0.000 0.233) 1.108 25.213 ( -1.313 0.000 -0.240) 1.335 25.253 ( -0.704 0.000 0.534) 0.883 25.416 ( -2.343 0.000 1.857) 2.989 25.461 ( -1.524 0.000 -2.499) 2.927 25.939 ( -8.053 0.000 -3.213) 8.671 26.215 ( 0.548 0.000 4.502) 4.536 ======================= Grid point 85 (33/88) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -25.723 0.000 -10.336) 27.722 0.983 ( -25.435 0.000 6.209) 26.181 1.484 ( 3.185 0.000 -10.552) 11.023 1.519 ( -33.583 0.000 8.866) 34.733 1.547 ( -4.586 0.000 -8.050) 9.264 1.812 ( 7.357 0.000 4.550) 8.650 2.078 ( -4.388 0.000 3.389) 5.544 2.245 ( -7.488 0.000 3.354) 8.205 2.258 ( -1.534 0.000 0.594) 1.646 2.393 ( 1.849 0.000 1.465) 2.359 2.449 ( 2.726 0.000 3.310) 4.288 2.590 ( 1.648 0.000 -5.569) 5.807 2.595 ( 0.563 0.000 -0.307) 0.641 2.714 ( 9.208 0.000 -4.099) 10.080 2.774 ( -2.966 0.000 -2.896) 4.146 2.790 ( -0.186 0.000 4.885) 4.888 2.853 ( -0.244 0.000 3.161) 3.170 3.009 ( -5.428 0.000 0.020) 5.428 3.045 ( 0.870 0.000 -2.545) 2.689 3.079 ( 2.219 0.000 -5.076) 5.540 3.186 ( -0.921 0.000 -0.049) 0.922 3.265 ( -3.546 0.000 3.069) 4.690 3.306 ( -0.040 0.000 6.296) 6.296 3.403 ( 3.115 0.000 -2.814) 4.198 3.504 ( 0.364 0.000 -2.517) 2.543 3.525 ( 0.645 0.000 1.440) 1.577 3.622 ( -1.285 0.000 1.707) 2.137 3.806 ( -8.251 0.000 -7.045) 10.849 3.884 ( -0.304 0.000 3.190) 3.205 3.942 ( -0.954 0.000 -3.066) 3.211 4.012 ( 6.912 0.000 -1.565) 7.087 4.067 ( -2.226 0.000 1.146) 2.504 4.131 ( -3.137 0.000 1.988) 3.713 4.353 ( 0.910 0.000 -12.174) 12.208 4.416 ( -5.414 0.000 -3.015) 6.197 4.486 ( -0.187 0.000 4.273) 4.277 4.581 ( 0.055 0.000 0.210) 0.217 4.608 ( -1.174 0.000 -0.812) 1.428 4.655 ( 7.593 0.000 4.778) 8.972 4.864 ( -9.781 0.000 8.522) 12.973 4.987 ( 4.948 0.000 4.089) 6.419 5.087 ( 2.722 0.000 -2.485) 3.686 5.287 ( -3.482 0.000 3.221) 4.743 5.367 ( 6.330 0.000 0.680) 6.367 5.436 ( 4.011 0.000 -4.473) 6.008 5.662 ( 2.271 0.000 -8.324) 8.628 5.839 ( 2.483 0.000 -0.433) 2.521 5.976 ( 5.427 0.000 -0.870) 5.497 6.021 ( -4.441 0.000 11.389) 12.224 6.278 ( 8.106 0.000 -2.848) 8.591 6.306 ( -2.132 0.000 -1.920) 2.869 6.672 ( 1.928 0.000 3.050) 3.609 6.734 ( 5.901 0.000 -0.404) 5.915 6.832 ( 4.374 0.000 0.681) 4.427 7.033 ( 5.471 0.000 -5.251) 7.583 7.053 ( -0.256 0.000 -2.864) 2.875 7.184 ( -1.603 0.000 -0.863) 1.820 7.246 ( 4.105 0.000 -0.128) 4.107 7.423 ( -5.482 0.000 6.612) 8.589 7.427 ( 0.708 0.000 -4.430) 4.486 7.783 ( 1.017 0.000 0.164) 1.030 7.904 ( -3.323 0.000 -0.599) 3.376 8.026 ( -1.310 0.000 0.971) 1.631 8.108 ( -3.465 0.000 -1.492) 3.773 8.172 ( -1.850 0.000 -2.027) 2.744 8.247 ( 1.798 0.000 3.919) 4.312 8.429 ( 2.049 0.000 -0.431) 2.094 8.429 ( 2.068 0.000 -0.218) 2.080 8.514 ( 2.203 0.000 1.194) 2.506 8.633 ( 1.166 0.000 4.865) 5.002 8.872 ( 2.105 0.000 2.158) 3.015 8.900 ( 3.726 0.000 -3.178) 4.898 9.425 ( -0.769 0.000 4.048) 4.121 9.559 ( -1.964 0.000 -1.600) 2.533 9.944 ( 1.068 0.000 1.717) 2.022 9.946 ( 1.134 0.000 -1.331) 1.749 10.331 ( -6.019 0.000 -6.894) 9.152 10.408 ( -3.541 0.000 4.057) 5.385 10.865 ( -1.668 0.000 -2.877) 3.325 10.875 ( 0.002 0.000 -2.282) 2.282 10.887 ( -1.772 0.000 4.229) 4.585 11.097 ( 2.317 0.000 2.359) 3.307 11.207 ( -0.573 0.000 2.454) 2.520 11.320 ( 1.998 0.000 -3.625) 4.140 11.536 ( -7.051 0.000 0.565) 7.073 11.557 ( -5.137 0.000 2.064) 5.536 11.781 ( 0.724 0.000 -4.045) 4.109 12.042 ( 2.279 0.000 4.266) 4.836 12.142 ( 2.431 0.000 8.872) 9.199 12.257 ( 10.671 0.000 -10.642) 15.071 12.565 ( 6.513 0.000 9.022) 11.127 12.600 ( 0.762 0.000 -2.419) 2.537 12.723 ( -4.346 0.000 1.890) 4.739 12.853 ( 1.076 0.000 3.120) 3.300 13.022 ( -5.094 0.000 -8.265) 9.708 13.127 ( -5.770 0.000 5.326) 7.853 13.298 ( 0.674 0.000 -3.162) 3.233 13.367 ( 3.720 0.000 0.923) 3.832 13.691 ( 0.402 0.000 -2.684) 2.714 13.990 ( 3.769 0.000 4.193) 5.638 15.815 ( -2.094 0.000 1.016) 2.328 15.981 ( 0.374 0.000 -0.166) 0.410 16.331 ( 2.847 0.000 0.070) 2.848 16.357 ( 2.491 0.000 -0.462) 2.533 21.160 ( 1.631 0.000 -3.636) 3.985 21.258 ( 0.115 0.000 -1.460) 1.464 21.454 ( 4.015 0.000 2.017) 4.494 21.583 ( 5.891 0.000 2.025) 6.229 22.672 ( -5.134 0.000 2.912) 5.902 22.808 ( -0.392 0.000 -4.636) 4.653 22.877 ( -4.980 0.000 0.448) 5.000 23.038 ( 0.778 0.000 -0.668) 1.025 23.146 ( 1.590 0.000 3.953) 4.260 23.272 ( 0.211 0.000 1.768) 1.781 23.405 ( -0.218 0.000 2.094) 2.105 23.558 ( -1.481 0.000 -4.361) 4.606 23.691 ( -0.847 0.000 0.215) 0.874 23.723 ( 0.532 0.000 -0.151) 0.554 23.821 ( 0.558 0.000 -0.731) 0.920 24.038 ( 5.755 0.000 0.665) 5.793 24.141 ( -0.796 0.000 -8.148) 8.187 24.237 ( 2.793 0.000 4.588) 5.371 24.557 ( -2.323 0.000 0.760) 2.445 24.712 ( 0.798 0.000 1.730) 1.905 24.901 ( -0.999 0.000 0.476) 1.107 24.905 ( 2.453 0.000 -0.945) 2.629 25.190 ( -0.731 0.000 -0.827) 1.104 25.246 ( -0.320 0.000 0.340) 0.467 25.382 ( -3.178 0.000 2.033) 3.772 25.413 ( -1.976 0.000 -1.858) 2.713 25.751 ( -10.423 0.000 -3.169) 10.894 26.258 ( 1.007 0.000 1.979) 2.220 ======================= Grid point 86 (34/88) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -18.875 0.000 11.506) 22.106 0.599 ( -24.322 0.000 14.140) 28.133 0.946 ( -39.119 0.000 19.817) 43.852 1.403 ( -2.502 0.000 -12.572) 12.819 1.478 ( 7.407 0.000 -18.272) 19.716 2.024 ( 10.640 0.000 5.345) 11.907 2.034 ( -1.608 0.000 -0.606) 1.718 2.168 ( -6.437 0.000 -6.198) 8.936 2.171 ( -5.615 0.000 9.873) 11.358 2.406 ( -1.107 0.000 0.639) 1.278 2.547 ( 5.611 0.000 2.063) 5.979 2.591 ( 0.526 0.000 -0.175) 0.554 2.600 ( 3.099 0.000 -1.420) 3.409 2.666 ( -13.130 0.000 2.155) 13.306 2.730 ( -0.266 0.000 4.568) 4.576 2.855 ( -0.916 0.000 0.314) 0.968 2.903 ( 10.674 0.000 -1.070) 10.727 3.028 ( 0.826 0.000 -2.079) 2.237 3.043 ( 4.331 0.000 4.225) 6.051 3.065 ( 0.602 0.000 -1.407) 1.531 3.110 ( -5.624 0.000 -1.546) 5.833 3.230 ( -3.877 0.000 5.727) 6.916 3.352 ( 2.903 0.000 -4.285) 5.176 3.415 ( 0.357 0.000 -3.674) 3.691 3.536 ( 4.740 0.000 -3.890) 6.132 3.541 ( 1.303 0.000 -3.216) 3.470 3.608 ( -2.310 0.000 2.041) 3.082 3.669 ( -2.107 0.000 -3.139) 3.781 3.898 ( -0.283 0.000 -4.445) 4.454 3.921 ( 2.499 0.000 2.075) 3.248 4.048 ( -4.071 0.000 1.572) 4.364 4.069 ( -7.302 0.000 5.561) 9.178 4.084 ( 3.343 0.000 -2.848) 4.392 4.200 ( -6.913 0.000 -13.046) 14.764 4.344 ( -0.939 0.000 2.693) 2.852 4.498 ( 0.414 0.000 -0.550) 0.689 4.559 ( -4.440 0.000 2.419) 5.056 4.586 ( -1.133 0.000 -2.835) 3.053 4.765 ( -6.340 0.000 6.988) 9.435 4.855 ( 8.578 0.000 5.731) 10.316 5.077 ( 2.343 0.000 -2.164) 3.189 5.130 ( 1.714 0.000 6.582) 6.802 5.255 ( -2.622 0.000 3.186) 4.126 5.403 ( 2.004 0.000 -10.111) 10.307 5.499 ( 6.197 0.000 -3.193) 6.971 5.676 ( 4.769 0.000 -0.876) 4.849 5.859 ( 0.091 0.000 0.349) 0.361 6.005 ( 0.286 0.000 -9.802) 9.807 6.065 ( -2.005 0.000 17.181) 17.298 6.284 ( -0.639 0.000 2.876) 2.946 6.388 ( 7.038 0.000 -4.656) 8.439 6.699 ( -1.722 0.000 0.521) 1.799 6.863 ( 1.980 0.000 -3.162) 3.731 6.874 ( 8.871 0.000 6.635) 11.077 7.052 ( 1.522 0.000 -7.919) 8.064 7.065 ( 1.774 0.000 0.776) 1.936 7.152 ( -0.689 0.000 1.306) 1.477 7.296 ( 2.328 0.000 -1.620) 2.836 7.365 ( -5.628 0.000 3.646) 6.706 7.438 ( 3.288 0.000 -3.096) 4.516 7.790 ( -0.648 0.000 0.652) 0.919 7.825 ( -4.917 0.000 -0.188) 4.920 8.013 ( -0.932 0.000 -0.506) 1.061 8.041 ( -0.984 0.000 -4.080) 4.197 8.162 ( -0.291 0.000 4.052) 4.063 8.297 ( -0.220 0.000 5.855) 5.859 8.459 ( 1.965 0.000 -1.738) 2.624 8.464 ( 1.954 0.000 0.291) 1.976 8.540 ( -0.617 0.000 0.109) 0.626 8.705 ( 4.302 0.000 1.993) 4.741 8.914 ( 1.196 0.000 1.113) 1.633 8.949 ( 2.764 0.000 -0.303) 2.780 9.454 ( 0.676 0.000 2.356) 2.451 9.518 ( -1.243 0.000 -1.300) 1.799 9.962 ( 1.279 0.000 -0.314) 1.317 9.980 ( 1.525 0.000 1.043) 1.848 10.222 ( 0.494 0.000 4.386) 4.414 10.380 ( -3.115 0.000 3.867) 4.966 10.821 ( 0.423 0.000 -1.833) 1.881 10.871 ( -2.537 0.000 2.068) 3.274 10.895 ( 0.549 0.000 2.645) 2.701 11.164 ( 3.627 0.000 0.334) 3.642 11.218 ( -0.837 0.000 3.918) 4.007 11.313 ( -0.119 0.000 -2.324) 2.327 11.426 ( -4.713 0.000 -1.004) 4.819 11.490 ( -3.580 0.000 0.403) 3.603 11.785 ( 2.179 0.000 -1.608) 2.708 12.096 ( 2.413 0.000 -2.509) 3.481 12.279 ( 5.160 0.000 9.556) 10.860 12.376 ( 11.239 0.000 -9.353) 14.622 12.595 ( 0.208 0.000 -3.279) 3.286 12.681 ( -1.321 0.000 2.640) 2.952 12.778 ( 2.093 0.000 -0.659) 2.195 12.864 ( -3.058 0.000 -3.824) 4.897 12.921 ( 6.706 0.000 10.719) 12.644 13.057 ( -6.267 0.000 5.158) 8.116 13.307 ( 1.910 0.000 1.250) 2.283 13.382 ( -1.595 0.000 0.074) 1.597 13.716 ( 3.016 0.000 -1.057) 3.196 13.987 ( -6.465 0.000 -12.215) 13.821 15.845 ( 4.219 0.000 8.674) 9.645 15.987 ( 0.428 0.000 -0.108) 0.441 16.373 ( 1.832 0.000 0.043) 1.832 16.390 ( 1.500 0.000 -0.248) 1.520 21.216 ( 3.374 0.000 2.738) 4.345 21.347 ( 12.899 0.000 18.108) 22.232 21.506 ( 1.607 0.000 -2.037) 2.594 21.686 ( 4.002 0.000 2.378) 4.655 22.610 ( -3.789 0.000 2.156) 4.359 22.751 ( -1.447 0.000 -5.555) 5.741 22.841 ( -0.944 0.000 3.726) 3.843 23.042 ( 0.421 0.000 -0.959) 1.048 23.200 ( 1.026 0.000 3.237) 3.395 23.283 ( 0.618 0.000 -2.696) 2.766 23.426 ( 0.300 0.000 5.445) 5.453 23.479 ( -2.999 0.000 -3.310) 4.467 23.658 ( -3.243 0.000 -1.670) 3.648 23.733 ( 0.735 0.000 -1.627) 1.785 23.841 ( 0.810 0.000 3.154) 3.257 23.975 ( -7.488 0.000 -9.221) 11.878 24.156 ( 4.914 0.000 -1.174) 5.052 24.294 ( -0.002 0.000 2.372) 2.372 24.561 ( 1.930 0.000 5.245) 5.589 24.725 ( -0.923 0.000 1.872) 2.088 24.889 ( -0.751 0.000 0.672) 1.008 24.996 ( 7.859 0.000 -0.406) 7.870 25.180 ( 1.262 0.000 -1.741) 2.150 25.250 ( 0.654 0.000 0.285) 0.714 25.335 ( -3.479 0.000 1.221) 3.687 25.370 ( -1.392 0.000 -1.117) 1.785 25.539 ( -10.228 0.000 -2.662) 10.568 26.177 ( -11.472 0.000 -19.567) 22.683 ======================= Grid point 87 (35/88) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 8.937 12.450 10.636) 18.655 0.739 ( 0.961 16.202 20.133) 25.861 1.125 ( -4.525 15.226 6.102) 17.016 1.201 ( 2.112 9.012 2.758) 9.659 1.557 ( 1.644 5.954 -18.834) 19.821 1.927 ( -8.516 -10.448 7.027) 15.201 2.014 ( 4.099 1.003 -3.329) 5.375 2.077 ( 0.759 -1.170 2.112) 2.530 2.215 ( 8.910 -2.259 -5.937) 10.943 2.322 ( 1.522 -8.627 -1.169) 8.838 2.438 ( -7.896 -2.838 4.866) 9.700 2.547 ( -0.392 -9.785 1.663) 9.933 2.603 ( 0.665 -0.890 -0.468) 1.206 2.695 ( 1.546 -2.456 -1.421) 3.231 2.773 ( 0.540 -5.101 3.318) 6.109 2.794 ( 1.775 -1.095 1.697) 2.689 2.918 ( -4.744 -0.512 2.185) 5.248 2.969 ( 1.069 -7.656 -1.251) 7.831 2.992 ( -2.959 -0.708 -2.679) 4.054 3.086 ( 3.142 3.238 -0.310) 4.522 3.118 ( -2.105 -4.848 -1.503) 5.495 3.233 ( -1.457 -2.386 -0.046) 2.796 3.310 ( 0.581 -0.767 -2.846) 3.004 3.383 ( 1.845 5.009 0.686) 5.381 3.452 ( -0.515 -4.048 -3.288) 5.241 3.522 ( -0.050 -0.095 -1.400) 1.404 3.741 ( 2.720 1.403 -2.011) 3.662 3.758 ( 0.844 5.073 -2.563) 5.746 3.873 ( -0.869 -3.232 -0.264) 3.357 3.901 ( 3.013 -0.035 -1.619) 3.420 3.970 ( -0.651 -2.026 3.192) 3.837 4.014 ( 1.171 -0.331 -2.389) 2.682 4.064 ( -3.108 3.022 4.816) 6.480 4.220 ( 3.825 4.042 -0.383) 5.578 4.402 ( 2.499 -1.147 2.472) 3.697 4.426 ( 1.546 -8.011 2.634) 8.573 4.456 ( -7.576 -0.385 3.576) 8.386 4.529 ( 1.403 -0.232 -1.278) 1.913 4.641 ( -2.244 -5.615 7.185) 9.391 4.823 ( 1.154 -5.339 6.977) 8.861 4.971 ( -0.337 -10.541 -4.485) 11.460 5.148 ( 1.488 -5.021 -4.073) 6.634 5.223 ( -3.352 -3.052 7.254) 8.554 5.461 ( 1.833 -4.798 1.719) 5.417 5.473 ( 1.109 4.993 -5.154) 7.261 5.659 ( 2.555 2.585 -6.450) 7.403 5.830 ( -1.217 1.742 5.782) 6.160 6.073 ( -2.017 8.038 -5.897) 10.171 6.281 ( -2.162 11.665 6.079) 13.330 6.344 ( 0.947 3.740 6.351) 7.431 6.551 ( 4.980 4.540 -6.463) 9.337 6.631 ( -5.154 2.613 -4.954) 7.612 6.918 ( -2.467 2.129 1.982) 3.814 6.993 ( 4.007 -2.070 3.505) 5.712 7.039 ( 0.317 -4.331 0.143) 4.345 7.056 ( 0.583 -1.529 -2.422) 2.923 7.148 ( 0.330 -2.792 1.125) 3.029 7.258 ( 0.774 0.649 -3.823) 3.954 7.378 ( -1.317 5.105 2.690) 5.919 7.504 ( 1.776 -6.224 -4.063) 7.642 7.734 ( -0.812 -2.995 2.346) 3.890 7.857 ( 0.766 5.953 -4.324) 7.398 7.988 ( -1.885 1.462 0.439) 2.426 8.078 ( 2.216 2.488 -2.866) 4.394 8.204 ( 0.147 0.203 6.143) 6.148 8.389 ( 1.480 0.311 -0.721) 1.676 8.424 ( 1.197 -0.572 -1.784) 2.223 8.468 ( -1.669 -1.302 -0.692) 2.227 8.577 ( -0.619 1.317 -0.561) 1.560 8.644 ( -5.650 -1.426 -0.997) 5.912 8.873 ( -0.514 -4.505 0.974) 4.638 8.942 ( 1.099 -2.074 -1.831) 2.977 9.465 ( -1.289 3.524 1.477) 4.033 9.521 ( 0.805 1.332 -1.179) 1.952 10.007 ( 0.506 2.914 0.717) 3.044 10.031 ( -0.245 3.851 -0.335) 3.873 10.258 ( 0.619 0.221 3.296) 3.361 10.439 ( 0.147 -6.365 -5.367) 8.327 10.862 ( 4.036 -1.926 2.033) 4.912 11.041 ( -0.849 -1.485 -3.389) 3.796 11.110 ( -2.529 0.710 4.603) 5.300 11.155 ( -0.621 5.382 1.508) 5.624 11.328 ( -0.506 -1.281 -3.767) 4.011 11.358 ( 16.054 14.883 -12.879) 25.399 11.451 ( -1.627 6.487 -1.133) 6.784 11.459 ( 2.326 2.516 0.446) 3.455 11.815 ( 2.322 -1.666 1.959) 3.464 11.952 ( -12.180 -5.642 -4.086) 14.032 12.309 ( -17.788 1.593 5.312) 18.632 12.443 ( 1.623 2.363 2.387) 3.730 12.504 ( 5.894 -1.708 -3.692) 7.162 12.578 ( -0.245 2.167 -5.327) 5.756 12.761 ( 1.872 1.600 0.005) 2.463 12.802 ( -2.203 1.095 -2.349) 3.402 13.020 ( -2.770 1.500 3.590) 4.777 13.163 ( 5.068 -1.629 -2.796) 6.013 13.319 ( -3.384 0.376 2.556) 4.258 13.377 ( 0.504 0.732 -0.520) 1.030 13.665 ( 2.797 -2.108 2.231) 4.152 13.731 ( -4.789 -2.251 -0.007) 5.291 15.922 ( 0.302 2.006 5.879) 6.219 16.120 ( -0.500 3.188 -5.711) 6.560 16.386 ( 0.156 -0.657 0.189) 0.701 16.394 ( -0.147 -0.857 -0.164) 0.884 21.281 ( 1.257 0.923 3.979) 4.273 21.401 ( 0.864 -5.282 5.140) 7.421 21.620 ( -0.140 1.768 6.508) 6.746 22.033 ( 0.375 -0.088 -11.053) 11.060 22.605 ( -0.859 2.489 2.095) 3.365 22.766 ( -1.007 1.218 -5.135) 5.373 22.955 ( 3.206 2.637 -2.990) 5.116 23.029 ( -2.838 2.447 -4.306) 5.708 23.174 ( -4.640 -1.481 0.872) 4.948 23.251 ( 3.627 0.383 -1.920) 4.122 23.389 ( -4.627 -0.186 1.558) 4.886 23.454 ( 2.596 -0.145 -0.309) 2.618 23.677 ( 4.483 -0.252 3.375) 5.617 23.700 ( -0.552 -0.510 0.603) 0.963 23.851 ( -0.608 -1.958 3.732) 4.258 23.997 ( 7.370 -3.051 -2.057) 8.238 24.202 ( 4.095 -0.182 0.417) 4.121 24.261 ( -0.040 -0.472 -0.638) 0.795 24.525 ( -3.410 -5.841 9.401) 11.581 24.768 ( 1.840 -4.782 -4.297) 6.687 25.000 ( 9.769 3.000 -0.353) 10.225 25.045 ( -5.258 -0.023 -1.143) 5.381 25.158 ( -9.182 -1.670 3.960) 10.138 25.247 ( 1.904 -2.504 -1.099) 3.331 25.317 ( 0.352 2.330 0.509) 2.411 25.339 ( 0.053 3.827 -0.508) 3.861 25.440 ( -0.951 3.716 2.425) 4.538 25.645 ( -5.229 5.808 -9.888) 12.603 ======================= Grid point 88 (36/88) ======================= q-point: ( 0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 13.097 6.713 13.401) 19.904 0.891 ( 9.132 13.966 12.434) 20.810 1.125 ( 11.672 -9.204 -17.497) 22.958 1.393 ( -2.158 4.751 -12.277) 13.340 1.576 ( 17.734 14.047 17.008) 28.303 1.851 ( -4.083 -6.286 5.627) 9.372 2.060 ( 3.352 3.861 -4.942) 7.111 2.114 ( 3.932 2.950 -4.749) 6.835 2.268 ( 4.741 -1.810 -5.169) 7.244 2.325 ( -2.163 -4.359 6.695) 8.277 2.453 ( 2.433 -7.609 0.146) 7.990 2.495 ( -6.211 -9.388 2.248) 11.479 2.573 ( 1.873 -2.017 -3.182) 4.207 2.724 ( 0.116 -3.421 0.201) 3.429 2.793 ( -1.175 -1.321 3.440) 3.867 2.805 ( -5.378 -0.624 5.353) 7.613 2.867 ( 1.032 -2.129 -1.846) 3.001 2.923 ( -0.163 -2.625 -4.545) 5.251 2.977 ( -0.530 -7.861 -0.787) 7.918 3.046 ( -2.477 -3.381 -0.566) 4.230 3.123 ( -1.973 2.376 1.635) 3.494 3.210 ( -0.591 -0.696 -4.626) 4.716 3.288 ( 1.518 -3.039 -4.397) 5.557 3.390 ( -1.531 6.838 1.132) 7.098 3.439 ( 1.491 -3.581 1.340) 4.104 3.563 ( 3.929 -1.332 0.513) 4.180 3.685 ( -2.480 6.894 -2.429) 7.718 3.793 ( -0.075 -0.150 -2.796) 2.801 3.816 ( 2.123 -0.231 -2.559) 3.332 3.940 ( -2.262 -1.923 3.227) 4.385 4.035 ( 5.988 0.265 -0.893) 6.060 4.043 ( -1.955 1.803 1.584) 3.096 4.107 ( 7.621 -5.729 -3.577) 10.183 4.272 ( -0.592 -0.389 2.432) 2.533 4.381 ( -0.858 1.105 1.142) 1.806 4.448 ( 0.957 -2.588 -2.260) 3.567 4.472 ( 3.779 -1.092 2.041) 4.431 4.588 ( 1.839 -10.019 3.030) 10.627 4.683 ( 1.308 -0.268 4.930) 5.108 4.871 ( 0.144 -6.455 3.729) 7.456 4.940 ( -0.638 -7.844 -0.999) 7.933 5.107 ( -2.517 -7.077 -3.711) 8.378 5.208 ( -3.484 -0.477 6.706) 7.572 5.410 ( -3.398 -4.645 -2.687) 6.351 5.519 ( 3.199 8.444 -1.452) 9.145 5.622 ( -1.797 1.381 -5.978) 6.393 5.853 ( -1.345 -0.074 4.960) 5.140 5.994 ( -1.900 9.912 -3.511) 10.686 6.269 ( -3.375 10.652 3.844) 11.817 6.415 ( -0.793 1.299 6.512) 6.688 6.484 ( -3.673 2.874 -3.443) 5.797 6.586 ( 2.286 6.732 -5.584) 9.041 6.858 ( -5.857 0.916 2.515) 6.439 6.973 ( -5.620 1.107 -1.594) 5.946 7.043 ( 0.128 -3.007 -1.507) 3.366 7.079 ( 1.298 -3.541 -0.854) 3.867 7.156 ( 0.885 -4.048 2.033) 4.615 7.254 ( 0.186 -0.279 -2.569) 2.591 7.325 ( -3.691 3.294 -0.991) 5.046 7.537 ( 2.717 0.225 -0.354) 2.749 7.776 ( 3.050 -3.429 1.254) 4.757 7.836 ( 0.766 4.129 -2.116) 4.702 7.977 ( -0.007 1.388 1.342) 1.930 8.094 ( 2.072 2.383 -3.003) 4.357 8.246 ( -0.511 -0.029 4.578) 4.606 8.374 ( -4.125 -0.904 0.585) 4.263 8.390 ( -0.904 -2.097 -4.339) 4.904 8.420 ( -4.171 -2.070 0.906) 4.744 8.532 ( -0.830 -1.569 3.117) 3.587 8.618 ( 0.110 4.926 0.924) 5.014 8.846 ( -2.816 -4.369 0.335) 5.208 8.951 ( 1.049 -1.724 -1.658) 2.612 9.457 ( -1.013 2.826 1.765) 3.483 9.535 ( 1.533 1.492 -0.951) 2.341 9.985 ( -2.071 3.102 0.049) 3.730 10.042 ( 0.513 4.772 0.267) 4.807 10.278 ( -0.298 0.033 0.418) 0.514 10.430 ( 2.939 -5.830 -2.150) 6.874 10.946 ( 1.746 -3.992 -1.274) 4.539 11.008 ( 2.170 0.526 -1.356) 2.613 11.065 ( -4.538 7.496 0.825) 8.801 11.125 ( -4.197 0.860 2.221) 4.826 11.287 ( -0.704 -4.312 -2.952) 5.272 11.416 ( 2.789 13.346 -9.702) 16.734 11.455 ( 2.799 6.319 -0.153) 6.913 11.537 ( -2.091 6.613 1.391) 7.074 11.642 ( -8.003 -0.391 4.710) 9.294 11.874 ( 0.812 -2.035 3.797) 4.384 12.140 ( -6.044 3.075 2.678) 7.290 12.463 ( -1.478 -0.961 2.347) 2.936 12.529 ( -0.677 2.871 -3.465) 4.550 12.589 ( 2.830 -2.414 -0.194) 3.724 12.763 ( -0.185 -0.365 -1.434) 1.491 12.817 ( 2.064 4.778 1.314) 5.369 12.985 ( -1.577 -0.276 0.861) 1.817 13.215 ( 2.764 -1.267 1.318) 3.314 13.309 ( 0.099 -2.406 0.419) 2.444 13.396 ( 1.271 1.029 0.779) 1.812 13.661 ( -2.808 -4.539 -2.999) 6.122 13.743 ( 2.485 -1.233 2.599) 3.801 15.953 ( -1.274 2.581 4.830) 5.622 16.039 ( -3.063 3.885 -3.486) 6.052 16.372 ( -1.790 -0.824 0.137) 1.975 16.377 ( -1.571 -0.899 -0.219) 1.823 21.330 ( 0.302 0.816 5.086) 5.160 21.383 ( -2.452 -0.687 -3.384) 4.235 21.619 ( -6.931 -0.526 9.178) 11.513 21.796 ( -13.503 1.981 -7.498) 15.572 22.623 ( 0.849 2.740 2.275) 3.661 22.739 ( 2.558 1.792 -2.962) 4.305 22.977 ( 0.021 -0.142 -2.802) 2.805 23.000 ( 2.527 3.718 1.555) 4.756 23.117 ( -2.630 -1.665 2.310) 3.877 23.299 ( 2.102 0.388 -0.547) 2.206 23.345 ( -1.801 0.384 0.468) 1.900 23.528 ( 4.808 -0.789 -0.651) 4.915 23.690 ( -0.527 0.164 -0.400) 0.682 23.708 ( -0.070 0.673 -0.302) 0.741 23.876 ( -0.478 -3.693 3.560) 5.152 23.988 ( -2.290 -4.737 -4.784) 7.111 24.190 ( -3.177 2.639 -3.538) 5.438 24.365 ( 6.418 1.257 -2.549) 7.019 24.546 ( -2.191 -7.704 8.305) 11.538 24.709 ( -4.784 -3.496 -1.402) 6.089 24.931 ( -3.415 3.135 0.482) 4.661 25.015 ( -5.694 4.333 0.212) 7.159 25.162 ( 4.959 -2.614 -2.040) 5.965 25.228 ( -0.948 -1.026 0.944) 1.686 25.350 ( 1.334 2.434 0.702) 2.863 25.402 ( 5.043 1.367 -0.579) 5.257 25.535 ( 11.323 -0.697 -1.071) 11.395 25.722 ( 12.482 1.323 -2.266) 12.755 ======================= Grid point 89 (37/88) ======================= q-point: ( 0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 9.063 0.620 9.251) 12.965 1.202 ( 12.749 5.245 -6.408) 15.202 1.298 ( 18.068 0.919 -1.307) 18.139 1.343 ( 12.218 -1.481 -12.672) 17.665 1.795 ( -0.437 -3.283 3.219) 4.618 1.983 ( 8.199 -1.887 5.125) 9.851 2.004 ( -4.016 2.109 0.236) 4.542 2.217 ( 9.118 7.830 -5.001) 13.018 2.308 ( 1.448 -6.287 -2.452) 6.901 2.389 ( 3.909 -1.548 4.126) 5.891 2.413 ( -5.753 -3.336 4.129) 7.828 2.453 ( -0.502 -4.498 5.557) 7.167 2.647 ( 5.296 -0.574 -5.857) 7.917 2.673 ( -9.156 -5.085 -0.068) 10.474 2.699 ( -3.449 -6.670 3.357) 8.225 2.803 ( 0.546 -1.705 -4.297) 4.655 2.836 ( -0.421 -1.155 -0.118) 1.235 2.917 ( 1.133 -3.310 -2.696) 4.416 2.987 ( 3.410 -0.676 -1.807) 3.917 3.073 ( -3.654 2.994 2.059) 5.153 3.088 ( 4.084 -3.754 6.241) 8.349 3.159 ( 0.153 2.016 -2.452) 3.178 3.296 ( 2.126 -3.675 -3.394) 5.436 3.378 ( -0.307 4.017 0.212) 4.034 3.510 ( 2.881 -1.517 2.888) 4.352 3.586 ( -0.661 8.446 2.006) 8.706 3.714 ( 6.285 2.088 -3.451) 7.468 3.769 ( 1.235 -0.292 -2.054) 2.414 3.846 ( 2.054 -3.744 -2.105) 4.762 3.920 ( -1.825 -3.216 0.482) 3.729 4.015 ( -2.563 1.539 1.342) 3.277 4.095 ( 1.683 -0.378 -1.992) 2.635 4.176 ( 3.388 -1.508 -3.219) 4.911 4.267 ( -1.120 -4.646 3.173) 5.737 4.408 ( 1.733 1.845 -0.177) 2.538 4.446 ( 0.259 -10.413 -1.498) 10.523 4.564 ( 5.704 1.092 0.166) 5.810 4.622 ( 0.827 -6.215 0.900) 6.334 4.715 ( -0.296 1.885 1.565) 2.468 4.878 ( -4.665 -4.730 5.564) 8.666 4.942 ( 0.980 -6.278 1.293) 6.484 5.042 ( -1.200 -8.037 -1.984) 8.365 5.203 ( -2.093 -1.679 4.388) 5.143 5.333 ( -1.924 2.141 -3.397) 4.452 5.509 ( -6.544 1.395 1.043) 6.771 5.564 ( 3.662 6.716 -6.438) 9.998 5.845 ( -2.630 -0.366 2.240) 3.474 5.952 ( -1.224 8.119 -2.452) 8.569 6.212 ( -6.181 9.994 3.138) 12.163 6.341 ( -4.940 1.974 0.371) 5.333 6.489 ( -0.310 1.315 -1.077) 1.728 6.574 ( -0.479 3.690 -0.595) 3.768 6.766 ( -6.459 4.737 3.016) 8.558 6.845 ( -4.848 3.498 -1.837) 6.254 7.019 ( -1.542 -1.556 -2.029) 2.986 7.087 ( 1.557 -3.893 -1.309) 4.392 7.183 ( -1.651 -1.844 0.956) 2.654 7.219 ( -1.312 -0.385 2.088) 2.496 7.274 ( -0.481 1.694 -4.784) 5.098 7.575 ( 1.519 5.047 1.333) 5.436 7.823 ( 1.582 -5.194 -1.440) 5.617 7.871 ( 3.186 0.596 1.167) 3.445 8.003 ( 1.391 -1.133 1.867) 2.589 8.099 ( 0.414 3.237 -2.948) 4.398 8.251 ( -1.645 -3.033 3.123) 4.654 8.292 ( -3.958 -0.403 -1.313) 4.190 8.328 ( -3.294 -5.471 -1.376) 6.533 8.387 ( -0.603 -4.743 0.901) 4.865 8.568 ( 0.279 2.117 3.975) 4.513 8.609 ( -1.785 4.913 1.217) 5.367 8.789 ( -3.411 -3.603 -0.437) 4.981 8.948 ( 0.134 -0.994 -1.909) 2.156 9.455 ( -1.118 1.596 2.692) 3.323 9.558 ( 1.917 0.778 -1.104) 2.345 9.954 ( -1.352 4.172 0.036) 4.386 10.042 ( -0.600 5.087 0.054) 5.123 10.290 ( 2.775 0.946 -1.063) 3.119 10.496 ( 4.700 -1.417 0.348) 4.921 10.908 ( -1.414 -4.563 -3.987) 6.223 10.950 ( -4.816 10.830 -2.331) 12.079 11.064 ( -4.340 1.168 3.244) 5.543 11.114 ( 5.702 -0.617 -0.276) 5.741 11.261 ( -0.340 -4.558 -1.978) 4.980 11.407 ( 2.131 9.685 -0.703) 9.942 11.442 ( -6.635 2.038 5.472) 8.838 11.546 ( 6.324 4.019 0.469) 7.508 11.690 ( 5.476 1.533 -3.303) 6.576 11.898 ( -0.997 -2.967 3.113) 4.415 12.070 ( -3.824 2.409 1.058) 4.642 12.432 ( -3.756 -2.099 2.394) 4.923 12.488 ( -0.651 4.656 -5.107) 6.941 12.597 ( -3.684 -1.531 3.959) 5.620 12.770 ( 1.721 0.718 -0.092) 1.867 12.862 ( 2.472 5.257 2.881) 6.484 12.986 ( 1.193 -2.775 -2.186) 3.729 13.268 ( 0.100 -2.710 -1.855) 3.286 13.274 ( -2.295 -2.928 2.372) 4.413 13.438 ( 2.973 1.132 -0.153) 3.185 13.564 ( -4.454 -6.657 -4.099) 8.998 13.815 ( 1.777 -1.891 5.083) 5.707 15.957 ( -1.404 3.139 3.092) 4.624 15.978 ( -1.196 3.266 -2.572) 4.326 16.330 ( -3.053 -0.870 0.262) 3.185 16.339 ( -2.260 -1.092 -0.541) 2.568 21.280 ( -4.611 0.911 -5.255) 7.050 21.364 ( -0.990 0.122 2.621) 2.805 21.484 ( -10.263 2.369 -2.703) 10.874 21.592 ( -6.583 0.106 4.309) 7.869 22.663 ( 1.802 2.858 1.998) 3.925 22.793 ( 4.728 0.880 -1.774) 5.126 22.968 ( 0.877 0.049 -1.928) 2.119 23.033 ( 0.191 3.225 -0.118) 3.233 23.136 ( 1.323 -0.993 5.340) 5.591 23.297 ( -0.137 -1.223 -4.050) 4.233 23.340 ( -1.314 1.503 4.452) 4.879 23.562 ( 0.140 -0.622 -2.488) 2.569 23.689 ( 0.260 -0.420 -0.225) 0.543 23.713 ( 1.207 -0.019 -0.353) 1.258 23.876 ( -2.327 -3.011 1.008) 3.937 23.949 ( 2.216 -3.147 -1.105) 4.004 24.093 ( -4.155 4.016 -3.478) 6.745 24.383 ( -2.077 4.139 0.117) 4.632 24.565 ( 0.618 -5.160 0.218) 5.201 24.645 ( -2.386 -1.582 2.168) 3.591 24.911 ( 0.197 2.382 -0.780) 2.514 24.957 ( -1.452 3.614 0.645) 3.948 25.177 ( -0.105 -2.485 -0.368) 2.514 25.238 ( 0.834 -0.608 -0.303) 1.076 25.385 ( 1.979 2.398 0.722) 3.192 25.482 ( 4.420 2.205 -0.585) 4.974 25.732 ( 11.348 -5.785 -3.542) 13.221 25.929 ( 8.955 -3.896 3.834) 10.491 ======================= Grid point 90 (38/88) ======================= q-point: ( 0.30 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 10.721 1.912 1.113) 10.947 1.375 ( 12.637 -3.676 -2.017) 13.315 1.539 ( 15.371 1.688 -4.381) 16.072 1.640 ( 17.227 1.521 -4.431) 17.852 1.798 ( 2.298 0.279 -3.067) 3.843 1.963 ( -0.833 -2.858 3.451) 4.557 2.100 ( 3.825 -7.904 0.065) 8.781 2.224 ( -4.219 4.341 4.534) 7.563 2.310 ( -5.830 -5.742 0.867) 8.228 2.398 ( 4.722 -3.213 -0.890) 5.780 2.421 ( -2.231 -3.937 0.457) 4.548 2.487 ( -2.504 -1.494 -0.983) 3.077 2.527 ( -2.156 -0.811 1.633) 2.823 2.623 ( -2.361 -8.083 -1.011) 8.481 2.644 ( -4.098 -8.474 -1.730) 9.571 2.831 ( -2.139 5.081 6.162) 8.268 2.844 ( 2.961 -0.386 -2.421) 3.844 2.918 ( -2.409 -1.238 -0.458) 2.746 2.974 ( -6.486 0.873 0.648) 6.576 3.093 ( 5.596 -0.972 0.959) 5.760 3.186 ( 12.010 4.265 -5.392) 13.838 3.290 ( 3.571 -2.167 0.886) 4.270 3.318 ( 2.556 2.179 3.371) 4.759 3.414 ( 7.508 0.383 2.012) 7.782 3.554 ( 1.431 2.384 1.247) 3.048 3.614 ( -0.097 6.202 3.997) 7.379 3.756 ( 2.297 -0.912 -3.799) 4.532 3.815 ( -1.562 -4.123 -1.595) 4.689 3.856 ( 5.462 -0.172 -0.794) 5.522 3.888 ( -0.127 -6.300 -4.507) 7.747 3.995 ( 0.797 1.240 0.408) 1.530 4.089 ( -0.159 3.413 -2.932) 4.502 4.189 ( -0.361 -1.227 1.383) 1.884 4.278 ( -0.303 -7.194 2.335) 7.570 4.425 ( -0.291 -2.663 -0.624) 2.750 4.432 ( 1.419 -7.250 -2.846) 7.917 4.620 ( -0.461 -5.466 -1.565) 5.704 4.674 ( 5.056 2.453 0.797) 5.675 4.726 ( 2.227 4.739 -1.623) 5.482 4.802 ( -5.730 -0.382 3.461) 6.705 4.993 ( 1.569 -5.242 5.425) 7.706 5.029 ( -0.734 -8.656 0.761) 8.721 5.189 ( -0.904 -2.275 -0.737) 2.557 5.290 ( -2.683 9.112 -1.138) 9.567 5.413 ( -4.731 -2.791 3.524) 6.526 5.577 ( 2.596 3.988 -5.257) 7.091 5.797 ( -3.456 0.296 -0.213) 3.475 5.889 ( -4.167 6.999 -1.859) 8.355 6.111 ( -7.441 10.875 3.941) 13.754 6.292 ( -1.407 1.774 1.496) 2.714 6.420 ( -3.435 1.633 -5.462) 6.656 6.547 ( -3.172 -0.327 1.075) 3.365 6.682 ( -3.849 5.219 0.971) 6.557 6.833 ( 1.783 6.253 3.103) 7.205 6.966 ( -2.050 -0.304 -2.853) 3.527 7.110 ( 1.483 -2.657 -2.924) 4.220 7.141 ( -2.060 -1.360 1.431) 2.854 7.208 ( -3.117 0.168 -0.291) 3.135 7.239 ( 0.004 1.811 0.402) 1.855 7.624 ( 2.451 4.267 2.587) 5.559 7.807 ( -1.005 -5.076 -3.878) 6.466 7.932 ( 1.797 -0.400 0.612) 1.940 8.043 ( 0.934 -2.752 1.590) 3.313 8.061 ( -1.952 -0.646 0.011) 2.056 8.218 ( -3.451 -6.191 -1.534) 7.252 8.226 ( -1.935 -2.013 -1.554) 3.196 8.302 ( 0.143 -2.521 3.093) 3.993 8.390 ( -0.011 -5.092 0.677) 5.137 8.565 ( -1.536 4.689 -0.938) 5.022 8.600 ( -1.469 2.308 3.131) 4.158 8.730 ( -2.395 -0.337 -0.579) 2.487 8.929 ( -0.342 -0.724 -2.543) 2.666 9.458 ( -1.328 0.966 3.736) 4.081 9.584 ( 2.032 -0.261 -1.590) 2.593 9.940 ( -0.353 4.976 0.276) 4.996 10.028 ( -0.626 4.470 -0.507) 4.542 10.364 ( 5.670 1.834 0.015) 5.959 10.589 ( 5.200 2.601 0.524) 5.837 10.826 ( -4.098 -0.866 -2.600) 4.930 10.912 ( 1.210 4.278 -1.116) 4.584 11.015 ( -3.735 -0.750 2.508) 4.561 11.182 ( 2.777 3.775 -2.877) 5.499 11.246 ( 0.004 -4.312 -0.947) 4.414 11.360 ( -3.051 1.619 -3.108) 4.646 11.492 ( 3.163 2.819 7.698) 8.787 11.674 ( 7.070 2.725 0.722) 7.611 11.751 ( 4.186 2.232 -2.846) 5.532 11.894 ( -1.216 -3.007 1.720) 3.671 12.020 ( -2.285 2.263 0.179) 3.221 12.363 ( -7.725 -4.000 3.066) 9.224 12.424 ( 0.157 4.857 -7.061) 8.571 12.551 ( -4.079 4.045 4.609) 7.365 12.819 ( 2.861 0.796 1.570) 3.359 12.944 ( 0.819 2.226 2.123) 3.183 12.973 ( 2.127 -0.685 -1.999) 2.998 13.214 ( -1.333 -3.817 -0.828) 4.127 13.252 ( -5.146 -1.860 0.998) 5.563 13.440 ( 2.225 -4.932 -9.962) 11.336 13.534 ( 0.651 -2.360 5.604) 6.115 13.849 ( -1.820 -4.108 3.355) 5.608 15.953 ( 0.393 2.528 -0.935) 2.724 15.961 ( -0.281 3.039 0.734) 3.139 16.274 ( -3.481 -0.799 0.535) 3.611 16.294 ( -2.143 -1.179 -0.736) 2.555 21.158 ( -4.343 1.421 -4.010) 6.079 21.285 ( -4.091 -0.332 -4.021) 5.746 21.397 ( -2.581 2.286 3.473) 4.894 21.530 ( -4.025 0.135 2.353) 4.664 22.712 ( 1.954 2.669 1.990) 3.860 22.861 ( 4.184 -0.120 -1.911) 4.601 22.978 ( 0.989 0.117 0.124) 1.004 23.024 ( -0.462 2.393 -0.974) 2.625 23.212 ( 2.418 -0.645 5.283) 5.846 23.259 ( -0.326 -0.587 -4.389) 4.440 23.340 ( -2.437 0.327 4.345) 4.992 23.527 ( -1.476 0.913 -2.774) 3.272 23.687 ( -0.113 -1.074 -0.102) 1.085 23.728 ( 0.520 0.278 -0.337) 0.679 23.842 ( -1.100 -0.463 -0.757) 1.413 23.951 ( -3.741 1.244 -0.558) 3.982 24.061 ( 2.919 -1.441 0.448) 3.286 24.333 ( -2.818 5.577 -0.466) 6.266 24.571 ( 0.866 -3.622 -1.395) 3.977 24.638 ( -0.736 -1.713 1.969) 2.712 24.915 ( 0.598 1.291 -0.076) 1.425 24.956 ( 0.523 3.320 0.202) 3.367 25.179 ( 0.301 -3.115 0.492) 3.168 25.246 ( 0.389 -0.360 -0.382) 0.653 25.425 ( 1.816 2.191 0.584) 2.905 25.544 ( 3.362 3.133 -1.480) 4.828 25.877 ( 7.659 -6.259 -2.019) 10.095 26.072 ( 3.944 -5.615 3.602) 7.749 ======================= Grid point 91 (39/88) ======================= q-point: ( 0.40 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 11.013 -1.459 2.240) 11.333 1.578 ( 10.654 -4.502 -1.232) 11.632 1.722 ( 0.563 2.861 -1.803) 3.428 1.750 ( 8.627 3.039 1.108) 9.213 1.944 ( 3.229 -7.305 -2.056) 8.247 1.980 ( 10.063 -3.227 -4.909) 11.652 2.156 ( -0.704 0.785 4.378) 4.503 2.198 ( -1.368 -1.017 3.263) 3.682 2.233 ( -4.869 -2.913 4.744) 7.395 2.307 ( -4.326 -2.522 -0.161) 5.010 2.448 ( 0.343 -0.030 -0.990) 1.048 2.500 ( -0.120 -3.864 -1.008) 3.995 2.531 ( 1.505 -1.851 -1.275) 2.705 2.575 ( 0.792 -8.436 -2.377) 8.800 2.606 ( 2.397 -4.500 -0.857) 5.170 2.784 ( -5.237 1.147 1.575) 5.588 2.847 ( -6.254 -2.653 -1.426) 6.941 2.849 ( -1.851 -2.769 -0.438) 3.360 2.874 ( -4.093 5.076 4.350) 7.838 3.119 ( -1.140 -2.806 -2.015) 3.638 3.292 ( -0.008 1.940 -0.481) 1.999 3.342 ( -0.029 -1.107 2.875) 3.081 3.406 ( 6.652 0.253 -0.963) 6.726 3.590 ( 3.111 2.898 -0.155) 4.254 3.636 ( 7.183 4.314 -1.816) 8.574 3.641 ( 4.275 0.878 4.776) 6.469 3.709 ( -1.090 -3.607 -0.660) 3.825 3.832 ( 0.533 -2.456 -4.184) 4.881 3.849 ( 3.269 -0.713 -0.238) 3.354 3.931 ( 0.757 0.341 0.851) 1.189 4.031 ( -0.489 1.081 -2.641) 2.896 4.095 ( 8.278 -1.679 -2.602) 8.839 4.186 ( -2.638 -4.613 3.044) 6.124 4.230 ( -6.820 -7.196 2.033) 10.121 4.438 ( -0.178 -3.920 0.682) 3.983 4.470 ( 7.088 -4.134 -4.269) 9.250 4.609 ( 2.957 -3.602 -3.629) 5.906 4.684 ( -3.295 2.216 -0.118) 3.973 4.771 ( 3.877 6.800 -1.496) 7.969 4.803 ( 1.576 3.409 2.622) 4.580 4.982 ( -5.335 -6.651 3.666) 9.282 5.064 ( -0.976 1.105 6.466) 6.632 5.181 ( 1.226 -3.278 -3.767) 5.142 5.185 ( -5.403 7.802 -1.560) 9.618 5.410 ( 0.089 -4.301 3.952) 5.842 5.574 ( -0.283 0.186 -2.051) 2.078 5.735 ( -2.170 2.156 -1.198) 3.285 5.800 ( -3.143 6.357 -1.893) 7.340 6.028 ( -5.284 12.888 4.895) 14.764 6.310 ( 0.584 1.816 0.296) 1.930 6.315 ( -2.457 0.308 -3.185) 4.035 6.503 ( -2.211 -0.007 0.987) 2.422 6.647 ( -1.151 3.939 0.777) 4.177 6.895 ( 2.484 3.952 -0.626) 4.710 6.923 ( -0.803 -0.362 -0.143) 0.892 7.069 ( -2.111 3.276 -5.677) 6.886 7.110 ( -1.740 0.483 -0.679) 1.929 7.185 ( 0.616 -2.673 0.038) 2.744 7.259 ( -0.878 1.699 7.543) 7.782 7.696 ( 3.253 -0.765 -0.471) 3.375 7.737 ( -2.452 -0.877 -2.214) 3.418 7.924 ( -1.154 -0.892 -1.282) 1.942 8.031 ( -0.807 -5.863 -0.601) 5.948 8.071 ( -2.431 -4.310 2.761) 5.666 8.163 ( 0.433 -4.857 -0.310) 4.886 8.202 ( -0.271 -2.353 0.370) 2.397 8.336 ( 0.806 -2.221 1.647) 2.880 8.393 ( -0.228 -4.426 0.564) 4.467 8.517 ( -2.953 2.135 -1.362) 3.890 8.585 ( -0.499 4.364 -1.289) 4.578 8.708 ( -0.398 2.700 1.321) 3.032 8.901 ( -0.235 -0.707 -3.321) 3.403 9.462 ( -1.666 1.080 4.379) 4.808 9.604 ( 1.769 -1.381 -2.040) 3.032 9.943 ( 0.188 5.079 0.539) 5.111 10.014 ( -0.267 4.055 -0.980) 4.180 10.474 ( 5.796 2.025 0.949) 6.212 10.673 ( 3.539 5.656 -1.423) 6.821 10.749 ( -2.696 -1.749 0.512) 3.254 10.946 ( -1.627 0.970 4.325) 4.721 10.972 ( 1.038 0.503 -1.928) 2.247 11.174 ( -0.994 -0.218 -2.127) 2.358 11.238 ( 0.044 1.862 -2.382) 3.024 11.296 ( -1.514 -0.160 -2.984) 3.350 11.601 ( 2.391 0.844 6.556) 7.030 11.776 ( 3.808 1.145 0.082) 3.977 11.821 ( 4.867 2.781 0.660) 5.644 11.889 ( 0.517 -2.411 -0.766) 2.582 11.996 ( 0.431 1.726 -1.879) 2.588 12.204 ( -9.407 -1.432 -2.028) 9.729 12.419 ( 1.455 2.893 0.433) 3.267 12.533 ( -1.766 5.293 4.629) 7.250 12.859 ( -0.830 0.278 -2.014) 2.196 12.900 ( -0.642 3.045 -1.676) 3.534 13.054 ( 1.895 -1.376 4.010) 4.644 13.132 ( -4.199 -3.083 -0.192) 5.213 13.230 ( 1.294 -3.318 -0.547) 3.603 13.418 ( 2.049 -4.147 -7.569) 8.871 13.594 ( 1.179 -2.764 5.088) 5.909 13.811 ( -3.401 -4.951 0.546) 6.032 15.960 ( -0.247 2.348 1.035) 2.577 15.969 ( 1.597 2.176 -1.239) 2.970 16.222 ( -2.772 -0.616 0.879) 2.972 16.257 ( -1.203 -1.178 -0.872) 1.897 21.095 ( -0.964 1.365 0.193) 1.682 21.225 ( -0.958 -0.488 -0.358) 1.134 21.366 ( -2.524 1.780 -0.038) 3.089 21.474 ( -2.802 0.066 -1.425) 3.144 22.759 ( 1.431 2.180 2.435) 3.568 22.907 ( 2.647 -0.952 -2.076) 3.496 22.993 ( -0.228 -0.062 0.357) 0.428 23.013 ( 0.039 1.226 0.450) 1.306 23.227 ( -0.029 0.383 -2.210) 2.244 23.298 ( 3.457 -0.791 2.179) 4.162 23.321 ( -2.803 -0.475 3.410) 4.440 23.470 ( -2.480 2.896 -2.435) 4.524 23.690 ( 0.511 -0.223 0.258) 0.614 23.728 ( -0.263 0.850 -0.178) 0.907 23.826 ( -0.188 0.611 -0.409) 0.759 23.888 ( -2.288 1.372 -0.002) 2.667 24.108 ( 1.113 -2.232 0.791) 2.617 24.286 ( -1.227 5.253 -2.639) 6.006 24.582 ( 0.936 -3.174 0.235) 3.317 24.637 ( -0.583 -1.975 0.826) 2.219 24.928 ( 0.466 0.971 0.500) 1.188 24.967 ( 0.639 2.918 -0.423) 3.017 25.192 ( 0.346 -3.276 1.238) 3.519 25.248 ( 0.141 -0.629 -0.187) 0.671 25.455 ( 0.988 2.113 0.603) 2.409 25.575 ( 1.860 3.780 -2.676) 4.991 25.978 ( 4.386 -6.401 0.594) 7.782 26.128 ( 0.800 -5.267 0.935) 5.409 ======================= Grid point 92 (40/88) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -1.779 -1.399 1.815) 2.901 1.667 ( 1.414 2.692 -1.108) 3.236 1.751 ( 4.587 -6.670 2.873) 8.589 1.868 ( 2.323 -6.022 2.506) 6.924 1.927 ( -3.956 -3.581 -2.359) 5.834 2.040 ( 0.633 2.748 0.798) 2.931 2.142 ( -7.170 -3.670 7.345) 10.901 2.218 ( -0.154 -1.482 1.144) 1.878 2.242 ( 7.037 0.032 -1.258) 7.149 2.292 ( 0.746 -1.280 -0.082) 1.484 2.442 ( 0.636 -0.540 -2.721) 2.846 2.492 ( -1.669 2.010 -5.735) 6.302 2.518 ( 0.198 -5.885 0.826) 5.946 2.560 ( 2.193 -2.136 -1.743) 3.523 2.708 ( 0.221 -1.400 1.145) 1.822 2.718 ( 0.173 -0.845 1.316) 1.573 2.759 ( -4.613 0.146 1.150) 4.756 2.791 ( 1.295 -3.600 -0.224) 3.833 2.873 ( 2.596 -4.039 0.742) 4.859 3.073 ( -0.065 -3.258 -5.429) 6.332 3.278 ( -1.552 0.726 1.222) 2.104 3.329 ( -1.688 0.563 1.359) 2.238 3.420 ( -3.867 0.585 1.429) 4.164 3.588 ( -5.606 -2.144 -0.718) 6.045 3.654 ( 2.846 0.832 -0.066) 2.966 3.717 ( 0.147 0.075 1.259) 1.270 3.804 ( -1.044 -0.012 -1.099) 1.516 3.823 ( 6.802 7.527 -0.677) 10.168 3.920 ( -2.093 1.903 0.965) 2.989 3.934 ( 5.049 -2.850 -2.786) 6.433 4.015 ( 2.074 -9.444 -1.410) 9.771 4.098 ( -2.633 -5.428 -1.947) 6.339 4.179 ( -4.201 -1.939 6.219) 7.751 4.252 ( 7.299 -2.169 0.988) 7.678 4.388 ( -6.014 -8.484 0.587) 10.416 4.532 ( 3.511 -0.996 -8.667) 9.403 4.615 ( -0.226 1.135 -2.828) 3.056 4.691 ( 4.687 -2.380 -2.226) 5.708 4.778 ( -5.107 7.919 2.614) 9.779 4.853 ( 3.094 2.123 -0.798) 3.836 4.935 ( -1.586 -0.431 5.909) 6.134 5.018 ( -6.698 9.563 4.424) 12.485 5.116 ( -0.321 -0.710 -0.622) 0.997 5.205 ( 1.927 -2.274 -2.280) 3.753 5.451 ( 0.260 -3.714 2.429) 4.445 5.535 ( -0.949 -3.858 -0.023) 3.973 5.726 ( 1.520 4.202 -0.188) 4.473 5.780 ( 2.934 5.986 -3.236) 7.410 6.002 ( -2.267 12.473 6.214) 14.118 6.229 ( -1.265 3.713 -5.002) 6.357 6.380 ( 3.409 -1.510 3.260) 4.952 6.480 ( -0.846 -1.379 -0.715) 1.769 6.649 ( -0.275 5.505 2.968) 6.260 6.892 ( -1.292 0.278 -4.226) 4.428 6.926 ( 1.314 1.870 -1.279) 2.619 6.985 ( -0.406 3.460 -4.192) 5.451 7.120 ( 1.310 0.724 1.915) 2.431 7.179 ( -0.820 0.129 -0.990) 1.292 7.322 ( 0.687 -0.071 9.085) 9.111 7.622 ( -2.759 -2.033 -6.450) 7.304 7.814 ( 4.749 -1.180 3.617) 6.085 7.895 ( -1.304 -0.115 -2.188) 2.550 7.986 ( -2.092 -7.855 0.178) 8.131 8.046 ( -0.307 -4.555 -1.895) 4.943 8.207 ( 1.107 -5.029 3.224) 6.076 8.221 ( 1.515 -2.216 2.365) 3.578 8.332 ( -1.710 -0.557 -0.278) 1.820 8.396 ( 0.526 -4.816 -0.484) 4.869 8.454 ( -2.811 1.793 -0.840) 3.438 8.575 ( 1.263 5.897 -3.059) 6.762 8.726 ( 0.497 2.449 2.573) 3.587 8.874 ( 0.442 -0.540 -4.200) 4.257 9.463 ( -1.964 1.599 4.484) 5.150 9.614 ( 1.002 -2.226 -2.142) 3.248 9.951 ( 0.092 4.974 0.830) 5.044 10.004 ( 0.055 4.077 -1.330) 4.289 10.548 ( -0.410 1.975 1.745) 2.667 10.671 ( 2.557 1.574 -4.186) 5.152 10.764 ( -0.876 1.943 3.597) 4.181 10.897 ( -2.786 2.449 1.963) 4.197 11.039 ( 3.345 0.557 1.737) 3.810 11.133 ( -1.380 -2.611 -1.607) 3.362 11.216 ( -0.158 2.459 -2.962) 3.853 11.250 ( -0.787 0.578 -4.293) 4.402 11.664 ( -0.516 1.056 6.484) 6.590 11.843 ( -0.095 1.434 2.745) 3.098 11.857 ( 0.923 -0.008 2.165) 2.354 11.923 ( 4.318 -0.299 -5.049) 6.650 12.014 ( 2.395 1.186 -3.601) 4.485 12.033 ( -5.603 -1.025 -2.336) 6.156 12.445 ( -2.227 4.838 5.557) 7.697 12.580 ( 3.582 2.930 5.075) 6.868 12.787 ( -2.151 1.067 -5.517) 6.016 12.860 ( -1.486 2.360 -4.249) 5.083 13.094 ( 1.225 -3.476 3.822) 5.309 13.143 ( 0.643 -1.307 4.867) 5.080 13.229 ( -0.672 -3.092 -2.488) 4.025 13.387 ( 0.639 -2.886 -7.170) 7.755 13.648 ( 0.830 -4.172 5.001) 6.566 13.762 ( -1.443 -4.756 -1.139) 5.099 15.954 ( -1.123 2.359 0.665) 2.696 15.990 ( 1.285 1.652 -0.852) 2.260 16.198 ( -0.561 -0.472 1.035) 1.269 16.243 ( 0.482 -1.180 -0.895) 1.557 21.124 ( 2.352 1.198 3.938) 4.741 21.242 ( 1.787 -0.562 2.311) 2.975 21.311 ( -2.052 1.616 -3.168) 4.106 21.411 ( -1.795 -0.020 -4.473) 4.820 22.792 ( -0.268 1.382 3.055) 3.364 22.916 ( 0.354 -0.904 -2.682) 2.852 22.992 ( 0.336 -0.271 0.797) 0.907 23.022 ( 0.222 0.216 0.576) 0.654 23.223 ( -0.437 0.495 0.183) 0.685 23.276 ( -2.516 1.108 -0.607) 2.815 23.350 ( -0.572 0.657 2.250) 2.413 23.448 ( 2.646 1.640 -1.222) 3.344 23.702 ( -0.042 0.471 0.566) 0.737 23.722 ( 0.219 0.699 -0.251) 0.775 23.832 ( 0.679 0.579 0.684) 1.124 23.868 ( -0.075 0.829 -0.214) 0.860 24.119 ( -0.204 -0.811 0.925) 1.247 24.245 ( -0.439 4.402 -4.280) 6.156 24.606 ( 0.792 -3.024 1.361) 3.409 24.631 ( -0.477 -2.256 0.063) 2.307 24.935 ( -0.217 1.106 0.726) 1.341 24.969 ( -0.046 2.470 -0.736) 2.578 25.204 ( -0.308 -3.119 1.694) 3.562 25.249 ( 0.111 -1.032 -0.159) 1.051 25.468 ( -0.117 2.302 0.915) 2.480 25.571 ( 0.300 3.926 -3.470) 5.248 26.036 ( 0.356 -7.270 2.686) 7.759 26.126 ( -0.405 -4.106 -1.296) 4.324 ======================= Grid point 93 (41/88) ======================= q-point: (-0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -12.085 -3.618 2.132) 12.794 1.673 ( -7.929 -4.765 0.522) 9.265 1.755 ( -3.823 -3.904 -2.639) 6.067 1.785 ( -6.312 0.598 -2.670) 6.880 1.853 ( -4.623 0.141 0.077) 4.626 1.999 ( -5.110 1.394 -1.785) 5.589 2.148 ( 1.797 -5.310 2.975) 6.346 2.242 ( -0.634 1.634 2.097) 2.733 2.257 ( -0.427 4.297 3.749) 5.718 2.367 ( -3.177 -4.592 -0.997) 5.672 2.399 ( 6.758 -3.199 4.056) 8.506 2.466 ( 0.365 -4.201 -4.804) 6.392 2.541 ( 2.704 1.225 -3.282) 4.425 2.599 ( -6.195 -2.189 -1.159) 6.672 2.611 ( 3.217 -5.113 -0.535) 6.065 2.728 ( 1.623 -0.445 3.480) 3.865 2.814 ( 4.769 -3.150 0.801) 5.771 2.916 ( 8.285 -1.200 1.747) 8.552 2.964 ( 4.639 -5.160 3.399) 7.727 3.044 ( 1.758 -3.126 -6.818) 7.703 3.257 ( -3.898 2.346 2.927) 5.409 3.319 ( -1.090 2.802 2.121) 3.679 3.349 ( -2.926 3.023 -0.559) 4.244 3.428 ( -8.369 -1.453 -2.286) 8.797 3.661 ( -3.467 3.508 1.120) 5.057 3.703 ( -1.272 -2.387 -2.494) 3.679 3.754 ( -4.207 -1.317 0.445) 4.431 3.835 ( -3.718 3.293 -2.114) 5.398 3.910 ( -0.320 2.786 2.819) 3.976 3.965 ( 1.361 1.111 -1.794) 2.511 4.041 ( 2.257 -6.525 -1.200) 7.008 4.119 ( -5.480 -2.021 1.286) 5.981 4.157 ( 6.393 -12.161 -2.201) 13.914 4.276 ( -5.902 -5.127 2.519) 8.214 4.351 ( 2.778 -0.491 1.388) 3.144 4.466 ( -1.335 -3.565 -5.228) 6.467 4.643 ( 3.259 -2.338 -6.226) 7.407 4.675 ( -6.313 7.981 1.302) 10.259 4.712 ( -0.788 -0.543 0.222) 0.982 4.863 ( -0.396 2.985 1.348) 3.299 4.957 ( -4.414 4.634 6.130) 8.862 4.997 ( 0.105 -2.868 3.405) 4.453 5.143 ( 5.863 -0.108 -3.138) 6.651 5.227 ( 2.030 1.139 0.060) 2.329 5.412 ( -4.205 -2.263 2.473) 5.378 5.599 ( 5.614 -4.894 -1.026) 7.518 5.757 ( 1.841 2.443 -0.946) 3.202 5.846 ( 7.226 7.538 -3.515) 11.018 6.037 ( 0.253 10.151 7.477) 12.610 6.207 ( 2.252 6.013 -3.094) 7.128 6.438 ( -0.179 -1.732 -2.182) 2.792 6.486 ( 4.116 -1.150 1.064) 4.404 6.672 ( -0.731 4.958 3.643) 6.195 6.815 ( -1.391 6.426 -2.487) 7.029 6.954 ( 3.187 2.437 -3.736) 5.482 7.016 ( 4.228 -2.623 1.047) 5.085 7.147 ( -1.203 0.859 -2.298) 2.733 7.152 ( 0.402 -1.780 1.299) 2.240 7.407 ( 1.131 0.751 8.553) 8.660 7.541 ( -1.449 -0.476 -5.251) 5.468 7.839 ( -1.969 1.216 -2.987) 3.779 7.894 ( 1.210 -7.153 1.306) 7.371 8.005 ( 1.238 -3.784 -0.553) 4.020 8.041 ( 3.346 -1.866 0.820) 3.918 8.219 ( -1.293 -3.540 -0.252) 3.777 8.272 ( 1.051 -3.489 2.187) 4.250 8.305 ( -0.934 -2.343 2.224) 3.363 8.401 ( 1.512 -3.916 -3.616) 5.540 8.415 ( -1.345 2.658 1.828) 3.495 8.582 ( 1.485 5.653 -1.623) 6.066 8.758 ( 0.808 0.704 2.718) 2.922 8.860 ( 1.979 -0.132 -4.842) 5.232 9.461 ( -1.864 2.326 4.271) 5.208 9.606 ( -0.095 -2.447 -1.953) 3.133 9.957 ( -0.293 4.789 1.071) 4.917 9.997 ( 0.503 4.549 -1.511) 4.820 10.492 ( -5.259 0.555 0.982) 5.378 10.705 ( -4.532 6.433 -0.189) 7.871 10.733 ( 3.592 -1.461 -1.298) 4.089 10.914 ( 1.451 1.978 2.599) 3.574 11.063 ( -2.296 2.470 3.238) 4.675 11.108 ( -1.202 -0.353 -4.234) 4.415 11.197 ( 1.968 -1.661 -3.436) 4.294 11.230 ( 1.406 1.409 -1.263) 2.357 11.684 ( -2.681 1.071 5.993) 6.652 11.787 ( -5.364 1.842 0.352) 5.683 11.869 ( -3.464 -0.521 -3.524) 4.969 11.938 ( 0.879 -0.658 4.561) 4.691 11.984 ( 3.615 0.155 -1.136) 3.792 12.081 ( 5.924 0.575 -5.162) 7.879 12.429 ( -2.060 4.604 2.692) 5.717 12.681 ( -1.348 3.470 6.685) 7.652 12.747 ( 4.479 0.671 -4.057) 6.081 12.826 ( 0.911 2.267 -2.942) 3.824 13.137 ( -0.708 -2.668 5.095) 5.795 13.181 ( -0.552 -4.775 -1.166) 4.946 13.185 ( -0.274 -0.809 0.034) 0.855 13.340 ( 0.301 -1.655 -6.860) 7.064 13.705 ( 1.093 -5.689 5.265) 7.828 13.740 ( 0.210 -3.948 -1.967) 4.415 15.930 ( -1.794 2.770 0.040) 3.300 15.998 ( 0.339 1.754 -0.246) 1.803 16.218 ( 1.960 -0.555 0.740) 2.168 16.260 ( 2.068 -1.235 -0.730) 2.517 21.224 ( 3.841 0.913 4.131) 5.714 21.244 ( 0.166 1.406 -4.031) 4.273 21.322 ( 2.030 -0.426 1.314) 2.455 21.357 ( 1.568 0.767 -2.992) 3.464 22.788 ( -2.846 0.628 3.001) 4.184 22.892 ( -0.649 -0.297 -2.559) 2.657 23.008 ( 0.555 -0.021 0.310) 0.636 23.032 ( 0.787 -1.237 0.139) 1.473 23.156 ( -5.567 3.047 -0.400) 6.359 23.276 ( 0.862 2.957 1.206) 3.308 23.356 ( 0.107 0.426 2.254) 2.297 23.505 ( 4.068 -1.344 -1.810) 4.651 23.697 ( -0.497 -0.272 0.303) 0.642 23.730 ( 0.375 0.746 -0.200) 0.858 23.842 ( -0.388 -0.199 -0.087) 0.445 23.887 ( 2.727 1.252 -0.716) 3.085 24.129 ( 0.167 1.004 3.087) 3.251 24.215 ( 0.790 3.578 -4.446) 5.761 24.608 ( -1.042 -2.548 -0.387) 2.780 24.638 ( 0.699 -2.648 1.240) 3.006 24.931 ( -0.805 1.494 0.764) 1.861 24.955 ( -0.775 2.085 -0.670) 2.323 25.204 ( -1.032 -2.656 1.458) 3.201 25.249 ( 0.010 -1.327 -0.378) 1.380 25.464 ( -1.313 2.574 1.475) 3.244 25.538 ( -1.002 3.523 -3.461) 5.040 26.006 ( -4.973 -6.705 0.316) 8.353 26.122 ( 0.135 -4.994 1.088) 5.113 ======================= Grid point 94 (42/88) ======================= q-point: (-0.30 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -19.437 -7.544 3.751) 21.184 1.412 ( -15.074 -3.192 -9.510) 18.107 1.614 ( -8.852 -0.098 2.576) 9.220 1.637 ( -9.108 2.818 -3.114) 10.029 1.756 ( -0.554 2.811 -4.813) 5.601 1.960 ( -1.542 4.375 0.628) 4.682 2.161 ( -7.976 -2.235 1.927) 8.504 2.204 ( 0.786 -5.042 -0.383) 5.118 2.291 ( -0.795 -1.551 4.707) 5.019 2.344 ( -4.908 -4.287 -0.131) 6.518 2.405 ( 2.317 -0.470 0.708) 2.468 2.492 ( -1.919 -10.902 0.252) 11.072 2.529 ( -0.318 3.490 -0.968) 3.635 2.595 ( 4.174 -1.549 0.654) 4.500 2.684 ( 5.658 -7.231 -1.033) 9.239 2.794 ( 2.921 2.677 2.903) 4.912 2.862 ( -0.678 -3.158 -1.929) 3.762 2.986 ( -3.694 -2.613 1.076) 4.651 3.024 ( 2.865 -2.407 -4.340) 5.731 3.073 ( 3.979 -0.127 2.505) 4.703 3.211 ( 0.946 4.119 0.610) 4.270 3.311 ( 0.105 1.503 -2.000) 2.504 3.321 ( -4.572 0.311 5.651) 7.276 3.373 ( 2.242 1.597 1.333) 3.059 3.587 ( -4.584 4.386 1.899) 6.623 3.625 ( -6.006 3.997 0.337) 7.222 3.693 ( -2.435 1.580 -1.622) 3.326 3.745 ( -1.717 -8.340 -1.940) 8.733 3.919 ( -1.987 -6.018 -6.833) 9.320 3.935 ( -3.937 2.917 1.848) 5.238 3.988 ( 0.421 -0.439 -3.442) 3.496 4.096 ( -1.198 -1.837 2.779) 3.540 4.193 ( 0.049 -0.852 -0.668) 1.084 4.286 ( 3.412 -8.750 1.789) 9.561 4.386 ( 1.864 -0.978 -1.601) 2.645 4.419 ( -2.885 -9.563 -2.102) 10.207 4.607 ( -1.325 1.232 -1.528) 2.368 4.626 ( -1.012 4.038 0.545) 4.199 4.670 ( -3.859 3.472 -0.083) 5.192 4.864 ( -5.419 -6.403 6.080) 10.361 4.913 ( 0.982 -6.094 -2.687) 6.732 5.031 ( 0.716 6.622 4.710) 8.158 5.218 ( 3.013 -5.880 -1.126) 6.702 5.291 ( 3.774 1.106 0.440) 3.957 5.386 ( 1.113 4.068 1.448) 4.459 5.650 ( 1.697 -5.435 -4.407) 7.200 5.786 ( 1.915 2.938 0.663) 3.569 5.965 ( 8.777 5.825 -4.362) 11.401 6.117 ( 2.053 9.632 8.079) 12.738 6.243 ( 2.916 6.231 -1.243) 6.992 6.404 ( -0.064 2.918 -4.354) 5.241 6.584 ( 5.312 -1.304 1.277) 5.616 6.674 ( 0.930 3.627 0.232) 3.751 6.847 ( 3.562 7.293 3.093) 8.686 6.983 ( 2.635 1.505 -2.372) 3.852 7.100 ( -0.748 0.672 -1.120) 1.506 7.111 ( 3.689 -3.606 -1.170) 5.289 7.158 ( 0.458 -4.915 0.058) 4.936 7.452 ( -1.619 3.756 -0.043) 4.090 7.509 ( 0.338 -0.848 2.193) 2.375 7.804 ( 0.294 2.225 -1.883) 2.930 7.889 ( -1.755 -6.266 -0.231) 6.511 7.999 ( -0.117 -2.070 0.513) 2.136 8.158 ( 1.482 1.293 1.314) 2.366 8.170 ( 1.764 -2.266 -0.591) 2.932 8.269 ( -1.246 -1.970 -2.511) 3.427 8.333 ( 1.307 -4.940 3.234) 6.047 8.397 ( 1.553 0.311 -2.599) 3.044 8.446 ( 1.630 -1.769 3.663) 4.382 8.604 ( 1.255 4.525 0.842) 4.771 8.789 ( 0.990 -1.769 1.210) 2.361 8.876 ( 3.366 0.450 -3.835) 5.123 9.463 ( -1.270 3.061 3.857) 5.085 9.582 ( -1.004 -1.949 -1.709) 2.780 9.957 ( -0.306 4.213 0.613) 4.268 10.003 ( 1.100 5.438 -0.844) 5.612 10.402 ( -5.218 -0.136 0.090) 5.221 10.601 ( -6.264 4.329 1.135) 7.699 10.795 ( 4.651 2.686 -3.653) 6.496 10.937 ( -0.450 -2.114 -2.195) 3.080 11.036 ( -0.720 5.814 -0.668) 5.896 11.060 ( -2.083 2.110 3.662) 4.712 11.198 ( -0.354 -0.461 -0.280) 0.645 11.278 ( 3.904 -1.104 -1.393) 4.290 11.652 ( -4.543 1.876 2.817) 5.665 11.680 ( -6.580 2.256 0.853) 7.009 11.793 ( -2.089 -1.701 -3.166) 4.157 11.976 ( 1.769 -1.886 1.021) 2.780 12.076 ( 3.332 3.279 7.267) 8.641 12.153 ( 7.272 0.272 -6.067) 9.474 12.434 ( 1.530 1.099 0.003) 1.884 12.666 ( -0.599 4.173 0.118) 4.218 12.810 ( 1.044 2.003 3.048) 3.794 12.830 ( -0.552 3.182 -0.021) 3.229 13.137 ( -3.595 -3.794 4.930) 7.185 13.146 ( -2.954 -0.532 -4.422) 5.344 13.198 ( 4.501 -5.364 -1.006) 7.074 13.317 ( 1.844 -0.316 -4.011) 4.426 13.698 ( -1.115 -3.364 -3.283) 4.831 13.802 ( 3.024 -6.781 6.610) 9.940 15.895 ( -1.938 3.618 -0.261) 4.113 16.006 ( 0.751 2.441 0.024) 2.554 16.268 ( 3.025 -0.703 0.309) 3.121 16.300 ( 2.761 -1.298 -0.510) 3.093 21.192 ( 0.312 1.096 -5.569) 5.685 21.287 ( -0.163 -0.220 -5.059) 5.066 21.365 ( 5.477 1.938 4.908) 7.605 21.478 ( 7.701 1.973 3.497) 8.685 22.742 ( -4.250 0.634 2.313) 4.881 22.857 ( -1.378 0.253 -2.020) 2.459 23.015 ( 0.370 -0.836 -0.795) 1.212 23.032 ( -1.821 1.791 -2.829) 3.811 23.078 ( -2.285 1.696 4.143) 5.026 23.294 ( 0.177 3.013 1.328) 3.297 23.383 ( 0.660 -0.182 2.084) 2.194 23.553 ( 2.987 -2.043 -2.495) 4.395 23.693 ( -0.005 -0.582 -0.027) 0.582 23.725 ( -0.745 -0.055 -0.379) 0.837 23.821 ( -1.054 -0.087 -1.082) 1.513 23.944 ( 3.908 0.058 -0.109) 3.910 24.184 ( 2.217 2.706 5.360) 6.401 24.198 ( 1.037 2.078 -5.602) 6.064 24.577 ( -1.681 -2.206 -0.943) 2.930 24.660 ( 0.557 -2.468 1.545) 2.965 24.920 ( -0.642 1.997 -0.300) 2.119 24.938 ( -0.695 1.971 0.395) 2.127 25.193 ( -1.026 -1.846 0.702) 2.225 25.243 ( -0.147 -1.313 -0.606) 1.453 25.443 ( -2.530 2.589 1.948) 4.111 25.488 ( -1.894 2.799 -2.736) 4.348 25.884 ( -7.911 -5.164 -1.521) 9.569 26.131 ( -1.137 -7.743 3.044) 8.397 ======================= Grid point 95 (43/88) ======================= q-point: (-0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -24.011 -5.183 5.080) 25.084 1.000 ( -21.912 6.521 -8.696) 24.460 1.465 ( -6.953 -0.403 -6.391) 9.453 1.587 ( 3.177 4.139 -2.217) 5.669 1.710 ( -10.311 7.756 3.319) 13.323 1.849 ( -6.605 6.295 1.574) 9.259 2.045 ( -7.561 -2.660 7.365) 10.885 2.141 ( -1.822 -7.837 -6.169) 10.139 2.188 ( -7.911 -7.435 1.112) 10.913 2.355 ( -1.007 -0.970 3.028) 3.335 2.472 ( 0.817 -2.334 -0.011) 2.473 2.492 ( 4.325 -6.435 2.558) 8.164 2.544 ( 5.230 -8.967 -1.280) 10.460 2.658 ( 1.539 0.251 -0.822) 1.763 2.748 ( -0.398 -3.862 0.358) 3.899 2.784 ( -3.064 -3.256 -0.164) 4.475 2.892 ( 6.512 6.738 -2.618) 9.729 2.955 ( 0.996 -4.662 0.126) 4.769 3.055 ( -0.626 0.708 -2.394) 2.574 3.080 ( -1.523 -0.026 0.752) 1.699 3.203 ( -1.625 2.236 -3.387) 4.372 3.281 ( -6.450 -0.148 12.012) 13.635 3.301 ( 1.065 -1.380 -4.717) 5.029 3.443 ( 2.337 3.137 1.346) 4.137 3.495 ( -2.525 0.925 -3.987) 4.809 3.580 ( -4.623 -2.010 3.814) 6.322 3.629 ( 0.237 6.927 -2.036) 7.224 3.764 ( -1.507 -1.544 -4.770) 5.235 3.813 ( 4.510 -7.682 -0.547) 8.925 3.948 ( 0.796 1.581 -2.844) 3.350 3.991 ( 1.622 -0.678 0.448) 1.814 4.070 ( -2.586 0.074 1.581) 3.032 4.184 ( -0.982 2.436 -0.763) 2.735 4.306 ( -4.520 -8.685 -3.430) 10.374 4.363 ( 0.363 -10.241 1.010) 10.297 4.389 ( -1.181 -3.088 0.400) 3.330 4.576 ( -1.385 2.316 0.776) 2.808 4.601 ( -3.276 3.790 0.067) 5.011 4.637 ( 0.548 -4.208 2.426) 4.888 4.784 ( -8.004 -4.781 6.722) 11.493 4.948 ( 4.958 -10.384 -3.477) 12.021 5.083 ( 1.826 4.522 1.190) 5.020 5.232 ( -3.536 -2.673 7.358) 8.590 5.334 ( 4.032 -6.825 -3.985) 8.873 5.469 ( 5.877 8.014 -3.070) 10.401 5.622 ( 0.550 -2.167 -4.519) 5.042 5.819 ( -0.197 2.393 3.067) 3.895 6.068 ( 7.043 4.498 -6.462) 10.564 6.207 ( -0.180 11.713 9.574) 15.129 6.285 ( 2.676 2.904 -0.831) 4.036 6.395 ( 3.152 7.609 -2.926) 8.741 6.680 ( 4.581 -0.745 0.074) 4.642 6.733 ( 4.880 2.508 1.020) 5.581 6.941 ( 3.400 7.980 2.018) 8.905 7.009 ( 2.323 -1.618 -2.189) 3.579 7.050 ( -0.963 -0.474 -3.577) 3.735 7.138 ( -0.105 -5.009 0.291) 5.018 7.215 ( 3.956 -3.871 0.580) 5.565 7.391 ( -1.966 3.902 -4.431) 6.223 7.534 ( -0.837 -0.540 3.419) 3.561 7.819 ( 2.141 4.068 -0.863) 4.677 7.839 ( -3.555 -4.795 0.030) 5.969 8.012 ( -0.104 -0.222 2.621) 2.632 8.099 ( -2.749 -1.359 -0.697) 3.145 8.212 ( -2.039 1.423 -3.030) 3.920 8.277 ( 4.872 0.792 0.536) 4.965 8.386 ( 1.954 -3.781 1.308) 4.453 8.413 ( 2.324 -1.696 -1.605) 3.295 8.526 ( 4.016 0.861 4.311) 5.954 8.631 ( 0.029 2.097 2.841) 3.532 8.816 ( 1.781 -3.821 -0.110) 4.217 8.912 ( 2.878 0.115 -2.246) 3.653 9.473 ( -0.686 3.371 3.156) 4.668 9.550 ( -1.128 -0.892 -1.532) 2.101 9.960 ( 0.565 3.457 0.087) 3.504 10.021 ( 1.118 5.708 -0.072) 5.817 10.313 ( -4.180 1.159 -1.156) 4.489 10.513 ( -4.129 2.463 0.550) 4.839 10.820 ( 1.184 1.302 -5.661) 5.928 10.918 ( 3.311 4.975 -1.249) 6.105 11.059 ( 0.297 -1.016 2.539) 2.751 11.066 ( 0.976 7.709 2.126) 8.056 11.187 ( -1.429 0.572 1.850) 2.406 11.326 ( 2.779 -0.806 -1.899) 3.461 11.568 ( -6.297 3.078 0.169) 7.011 11.583 ( -4.848 2.766 1.565) 5.797 11.756 ( 0.685 -2.201 -3.220) 3.960 12.017 ( 2.303 -3.333 -0.447) 4.076 12.201 ( 3.154 5.228 10.572) 12.208 12.252 ( 8.834 0.566 -5.868) 10.620 12.476 ( 2.381 -3.474 1.183) 4.375 12.674 ( 0.635 3.457 0.358) 3.533 12.802 ( -1.099 4.959 -0.429) 5.098 12.848 ( 0.665 0.717 4.268) 4.378 13.028 ( -4.878 0.772 -6.588) 8.233 13.103 ( -4.292 -2.303 4.779) 6.824 13.264 ( 2.517 -3.249 -1.232) 4.290 13.351 ( 3.478 -1.109 -0.194) 3.655 13.653 ( -0.564 -3.459 -3.331) 4.835 13.897 ( 1.689 -8.298 5.133) 9.903 15.865 ( -1.445 4.671 0.743) 4.946 16.031 ( 2.412 3.848 -0.178) 4.545 16.323 ( 2.882 -0.727 0.036) 2.972 16.345 ( 2.505 -1.255 -0.335) 2.822 21.175 ( 1.734 1.499 -2.927) 3.718 21.261 ( 0.300 0.252 -1.509) 1.559 21.486 ( 4.776 3.036 2.494) 6.184 21.655 ( 10.453 4.939 0.968) 11.601 22.680 ( -4.346 1.250 1.953) 4.926 22.820 ( -1.028 0.232 -1.521) 1.851 22.950 ( -3.075 6.285 -2.282) 7.360 23.025 ( 0.578 -0.387 -0.268) 0.745 23.104 ( 0.402 -3.184 4.471) 5.504 23.305 ( 0.488 2.444 -0.023) 2.492 23.403 ( -0.222 -0.185 2.385) 2.402 23.555 ( -0.791 -0.804 -3.278) 3.467 23.694 ( -0.297 0.044 0.207) 0.365 23.704 ( -0.672 -1.750 -1.084) 2.165 23.807 ( -0.004 -0.322 0.978) 1.030 24.018 ( 3.885 -2.105 -0.137) 4.421 24.148 ( -0.640 0.848 -8.503) 8.569 24.265 ( 1.540 1.799 4.805) 5.357 24.544 ( -1.593 -0.971 0.676) 1.984 24.683 ( 1.062 -2.598 1.438) 3.153 24.904 ( -0.416 1.774 -0.784) 1.984 24.953 ( 2.257 3.123 0.572) 3.895 25.182 ( -0.244 -0.823 -0.340) 0.923 25.238 ( 0.024 -1.228 -0.311) 1.267 25.404 ( -3.535 2.241 1.862) 4.581 25.433 ( -2.368 2.146 -1.718) 3.628 25.713 ( -9.831 -3.351 -1.623) 10.513 26.114 ( -3.500 -11.853 1.643) 12.468 ======================= Grid point 96 (44/88) ======================= q-point: (-0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -17.971 8.468 4.229) 20.311 0.637 ( -12.495 13.131 11.128) 21.269 1.293 ( -9.191 4.180 -3.416) 10.659 1.352 ( -22.340 20.544 6.938) 31.134 1.620 ( 5.846 9.358 -15.853) 19.315 1.937 ( 3.852 -8.835 7.048) 11.940 2.001 ( -3.311 -6.589 6.296) 9.696 2.071 ( -2.599 -3.279 0.532) 4.218 2.125 ( 2.328 -7.167 -4.395) 8.723 2.330 ( -1.632 -4.170 -0.320) 4.489 2.485 ( 2.098 -3.296 1.245) 4.101 2.561 ( -3.560 -8.303 2.273) 9.316 2.621 ( -2.321 -1.375 -1.112) 2.918 2.650 ( 4.959 -2.696 -2.114) 6.027 2.707 ( 0.420 -0.619 3.837) 3.909 2.783 ( -0.136 -5.377 0.398) 5.393 2.924 ( 1.741 2.543 -0.540) 3.129 2.977 ( -1.865 -3.477 -1.518) 4.227 3.052 ( 1.940 -0.979 0.356) 2.202 3.088 ( 2.640 2.111 -0.767) 3.467 3.112 ( -4.766 0.688 -2.697) 5.520 3.269 ( -1.589 -0.384 1.619) 2.301 3.289 ( 1.004 1.379 -0.140) 1.712 3.412 ( -4.627 -3.812 -1.961) 6.308 3.465 ( 1.311 -2.824 -2.583) 4.046 3.541 ( -1.184 1.316 1.097) 2.083 3.675 ( 5.145 5.172 -2.532) 7.722 3.735 ( 2.045 5.053 -2.439) 5.972 3.862 ( 0.410 -5.187 -3.299) 6.161 3.947 ( 1.026 1.145 1.043) 1.858 4.010 ( -4.343 -1.573 -0.922) 4.710 4.035 ( 0.508 -4.569 -2.352) 5.164 4.131 ( -7.700 2.423 3.661) 8.864 4.193 ( -1.094 1.614 -2.493) 3.165 4.359 ( -0.447 1.160 1.469) 1.925 4.384 ( -0.509 -14.368 4.165) 14.968 4.543 ( -1.455 2.156 -2.877) 3.878 4.561 ( -4.150 0.731 3.345) 5.380 4.661 ( -5.335 -9.084 7.200) 12.760 4.738 ( 0.801 -2.706 7.044) 7.588 4.997 ( 2.573 -10.132 -5.056) 11.612 5.116 ( 3.485 -1.291 -2.137) 4.288 5.224 ( -4.176 -3.478 9.120) 10.617 5.391 ( 4.888 -3.481 -1.905) 6.296 5.494 ( 2.049 2.886 -6.513) 7.412 5.639 ( 3.517 3.317 -3.304) 5.855 5.824 ( -2.074 2.280 4.432) 5.399 6.112 ( 3.559 4.435 -7.444) 9.368 6.255 ( -1.856 11.709 9.459) 15.166 6.310 ( -0.118 5.782 2.235) 6.200 6.476 ( 7.456 5.022 -4.287) 9.959 6.720 ( -0.305 -0.110 -2.314) 2.336 6.851 ( 6.331 1.802 3.216) 7.326 6.947 ( -0.643 4.614 -1.179) 4.805 7.028 ( 0.297 -3.320 -0.240) 3.342 7.056 ( 2.374 -1.205 -1.905) 3.274 7.138 ( -0.197 -2.412 0.467) 2.465 7.265 ( 1.555 -1.880 -1.301) 2.765 7.355 ( 1.166 3.837 -1.356) 4.233 7.525 ( -1.057 -3.240 -0.846) 3.512 7.772 ( -4.209 -4.232 1.285) 6.105 7.852 ( 2.540 6.015 -2.492) 6.989 8.017 ( -1.426 0.344 1.349) 1.993 8.067 ( 0.283 1.026 -1.485) 1.827 8.176 ( -1.304 1.043 2.655) 3.136 8.349 ( 3.824 0.763 -1.664) 4.240 8.411 ( 1.381 -2.747 -1.102) 3.266 8.457 ( 2.444 -1.776 0.025) 3.021 8.595 ( 0.176 4.270 -0.907) 4.369 8.672 ( 1.650 -2.295 4.477) 5.295 8.852 ( 1.904 -5.000 0.496) 5.373 8.936 ( 1.415 -1.142 -1.643) 2.451 9.477 ( -1.195 3.044 2.037) 3.853 9.526 ( -0.248 0.349 -1.441) 1.503 9.980 ( 1.511 2.848 0.050) 3.224 10.034 ( 0.259 4.685 0.255) 4.699 10.251 ( -1.936 2.911 0.292) 3.508 10.469 ( -0.436 -1.686 -2.334) 2.912 10.807 ( 1.525 -0.664 -1.279) 2.098 11.040 ( 7.310 5.663 2.249) 9.516 11.068 ( 1.475 2.978 -1.158) 3.520 11.120 ( 4.703 8.416 -2.507) 9.962 11.187 ( 0.674 4.689 2.941) 5.576 11.350 ( 1.797 -0.552 -3.008) 3.548 11.473 ( -3.738 3.585 -0.237) 5.185 11.511 ( -4.275 3.466 0.738) 5.553 11.767 ( 2.398 -1.602 -1.335) 3.178 12.039 ( 1.099 -5.623 -2.833) 6.391 12.331 ( 4.297 3.540 5.492) 7.820 12.372 ( 7.850 1.481 -2.748) 8.448 12.515 ( -0.471 -5.125 2.061) 5.544 12.656 ( -2.475 -0.545 -2.267) 3.400 12.780 ( -1.755 -0.048 -2.242) 2.847 12.884 ( -3.711 1.452 -4.546) 6.045 12.966 ( 5.794 3.585 6.468) 9.394 13.077 ( -0.655 0.659 3.247) 3.378 13.298 ( 1.880 -0.069 2.243) 2.928 13.383 ( -0.281 -0.076 0.174) 0.339 13.643 ( 1.262 -5.587 -1.921) 6.041 13.882 ( -6.893 -7.556 -0.786) 10.258 15.870 ( 0.253 4.309 4.410) 6.171 16.093 ( 5.174 4.760 -2.007) 7.311 16.367 ( 1.885 -0.661 0.027) 1.998 16.380 ( 1.632 -1.002 -0.105) 1.918 21.222 ( 3.009 0.868 2.526) 4.023 21.293 ( 2.337 -1.183 6.792) 7.279 21.566 ( 3.080 4.458 0.662) 5.459 21.879 ( 16.126 7.549 -3.354) 18.118 22.626 ( -3.125 1.985 1.860) 4.143 22.799 ( 0.033 0.462 -2.546) 2.588 22.916 ( 1.870 6.511 -2.218) 7.128 23.039 ( 1.329 1.546 0.270) 2.057 23.149 ( 1.011 -4.354 4.413) 6.282 23.300 ( -0.097 1.089 -4.475) 4.607 23.422 ( -0.185 -0.324 3.873) 3.891 23.492 ( -3.360 -0.036 -1.869) 3.845 23.643 ( -4.470 -1.262 -1.093) 4.771 23.702 ( 0.048 -1.144 0.082) 1.148 23.839 ( 1.099 0.059 3.390) 3.564 23.975 ( -3.575 -0.798 -8.043) 8.838 24.144 ( 3.998 -0.612 -0.685) 4.103 24.285 ( -2.176 -1.397 2.636) 3.693 24.530 ( -2.543 -1.308 4.519) 5.348 24.727 ( 3.535 -2.153 -0.725) 4.202 24.906 ( 1.435 3.013 0.279) 3.349 25.029 ( 5.389 2.407 0.134) 5.904 25.180 ( 0.898 -0.507 -1.616) 1.917 25.240 ( -0.282 -1.677 0.742) 1.855 25.350 ( -3.408 2.057 0.960) 4.095 25.382 ( -2.421 1.580 -0.749) 2.986 25.530 ( -9.152 -0.200 -0.548) 9.170 25.968 ( -13.257 -12.884 -6.781) 19.690 ======================= Grid point 97 (45/88) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 3.645 18.923 0.203) 19.272 1.087 ( 5.247 14.773 -3.618) 16.089 1.225 ( -3.036 11.953 -3.376) 12.786 1.649 ( -1.333 3.250 -9.848) 10.456 1.693 ( -7.894 16.976 16.284) 24.812 1.782 ( -1.303 0.328 10.193) 10.282 1.967 ( 1.416 -5.700 1.608) 6.090 1.984 ( 2.470 -4.384 1.887) 5.374 2.078 ( 10.107 -11.011 -4.333) 15.562 2.151 ( 0.827 -15.116 0.380) 15.143 2.322 ( -5.371 -3.557 -0.184) 6.445 2.440 ( 0.356 1.706 -2.142) 2.762 2.574 ( -2.884 -1.494 -1.980) 3.804 2.616 ( 4.195 -5.675 -2.850) 7.611 2.703 ( 2.157 1.747 3.708) 4.631 2.773 ( 2.546 -2.685 1.183) 3.885 2.851 ( -2.481 -4.094 -1.520) 5.023 2.920 ( -1.678 -3.049 1.035) 3.631 2.963 ( -1.347 -0.778 0.928) 1.811 3.027 ( -4.590 -0.435 -3.532) 5.808 3.110 ( 1.107 -2.259 1.017) 2.713 3.238 ( -2.671 0.460 0.807) 2.828 3.314 ( 0.604 1.802 -5.071) 5.416 3.362 ( -0.717 -5.062 -5.120) 7.236 3.523 ( 4.605 6.093 -0.724) 7.672 3.564 ( -1.287 5.157 -1.389) 5.494 3.681 ( 0.563 -3.144 -1.214) 3.417 3.760 ( 2.175 -2.273 -4.331) 5.353 3.801 ( -0.770 -8.425 2.342) 8.779 3.877 ( 0.269 -3.852 -1.014) 3.992 3.922 ( -0.166 -0.734 2.563) 2.671 3.990 ( 0.142 -5.141 2.949) 5.929 4.141 ( -2.359 4.380 3.529) 6.100 4.263 ( 0.626 1.254 2.731) 3.070 4.297 ( 6.572 -0.778 -2.386) 7.035 4.389 ( -3.078 -2.463 -1.625) 4.263 4.424 ( -0.966 1.649 5.074) 5.422 4.537 ( -1.518 2.225 -2.740) 3.842 4.645 ( -0.008 1.447 4.854) 5.065 4.779 ( 0.855 -4.023 4.857) 6.365 4.829 ( 0.172 0.981 -2.873) 3.040 5.001 ( -0.807 -9.171 -4.025) 10.048 5.116 ( -2.534 -5.435 8.298) 10.239 5.284 ( 0.620 -9.306 0.422) 9.336 5.662 ( 0.883 9.263 -1.461) 9.419 5.782 ( -0.140 6.159 -2.873) 6.798 5.874 ( 0.813 3.424 -0.973) 3.651 6.094 ( 2.889 -3.942 -6.854) 8.418 6.453 ( -1.027 7.076 6.515) 9.674 6.542 ( -1.967 12.384 3.052) 12.906 6.614 ( -1.895 1.383 -1.546) 2.810 6.720 ( 2.355 6.913 -4.061) 8.356 6.896 ( -0.109 -6.408 1.047) 6.494 6.942 ( -0.524 -4.019 0.529) 4.088 6.993 ( 0.462 -1.458 -0.190) 1.541 6.995 ( -0.052 -0.087 -1.056) 1.061 7.149 ( -0.888 0.881 0.417) 1.319 7.187 ( 0.300 -8.239 -0.926) 8.296 7.417 ( -1.058 1.787 0.616) 2.166 7.547 ( 4.975 8.241 -4.578) 10.660 7.697 ( -2.177 0.441 5.238) 5.689 7.916 ( 1.317 -0.035 -5.104) 5.271 7.993 ( -1.255 -1.565 1.431) 2.464 8.076 ( -0.017 -2.167 -0.427) 2.209 8.231 ( -0.324 1.814 4.771) 5.114 8.345 ( -1.262 -3.368 -0.955) 3.721 8.399 ( 0.443 0.285 3.047) 3.092 8.477 ( 0.832 1.652 1.248) 2.232 8.586 ( -4.448 0.212 -2.905) 5.316 8.640 ( 1.815 -1.073 -2.052) 2.941 8.792 ( 0.512 -2.533 0.269) 2.598 8.878 ( 0.910 -3.957 -2.737) 4.897 9.518 ( -0.672 1.286 0.594) 1.568 9.535 ( 0.460 0.227 0.253) 0.572 10.084 ( 0.080 4.191 0.776) 4.263 10.119 ( -0.218 3.839 -0.549) 3.884 10.306 ( 1.862 2.999 0.759) 3.611 10.372 ( -2.392 -0.553 -0.579) 2.522 10.790 ( 2.341 -3.584 -2.261) 4.841 10.916 ( 0.088 -7.409 -3.579) 8.228 11.094 ( -0.476 1.198 5.312) 5.467 11.250 ( -1.607 -5.157 -1.597) 5.633 11.380 ( -2.427 10.713 2.863) 11.352 11.489 ( 1.900 2.836 -0.562) 3.460 11.511 ( 1.602 2.526 -0.408) 3.019 11.594 ( 4.100 3.556 -5.147) 7.480 11.780 ( 2.200 -1.219 -0.339) 2.538 11.852 ( -3.191 -4.054 -3.063) 6.000 12.357 ( -6.185 2.845 2.215) 7.159 12.459 ( 2.006 -2.274 -1.170) 3.251 12.519 ( -0.532 4.642 0.498) 4.699 12.628 ( 1.354 2.217 -5.033) 5.664 12.753 ( -0.738 -0.151 1.398) 1.588 12.850 ( 1.361 0.214 -4.151) 4.373 13.046 ( -0.647 1.461 1.974) 2.540 13.118 ( 2.580 -2.246 -1.248) 3.642 13.368 ( -3.899 4.537 1.789) 6.244 13.394 ( 0.818 1.589 0.085) 1.789 13.596 ( 4.102 -4.632 3.412) 7.066 13.652 ( -5.383 -5.500 1.665) 7.874 16.009 ( 0.166 5.518 2.988) 6.277 16.142 ( -0.181 -0.419 -3.036) 3.071 16.370 ( 0.107 -0.883 0.037) 0.890 16.373 ( -0.135 -1.149 -0.106) 1.162 21.303 ( 1.295 1.271 4.065) 4.451 21.346 ( 0.960 -1.291 5.641) 5.866 21.711 ( -0.777 6.250 -0.248) 6.303 21.966 ( -0.577 -5.506 -8.681) 10.296 22.665 ( -0.745 3.366 2.001) 3.986 22.761 ( -0.790 -1.137 -1.536) 2.067 22.957 ( 0.915 -0.142 0.382) 1.002 23.034 ( -1.648 -2.727 0.520) 3.229 23.187 ( -2.314 2.314 -5.513) 6.411 23.249 ( 4.132 -0.615 -3.760) 5.621 23.396 ( -2.685 0.917 2.148) 3.559 23.443 ( 1.836 -0.917 1.272) 2.414 23.677 ( 1.722 0.562 3.270) 3.738 23.702 ( 0.269 -0.026 0.715) 0.764 23.833 ( -1.897 0.183 0.100) 1.909 23.923 ( 0.588 -3.948 -2.452) 4.684 24.201 ( 3.328 0.128 2.094) 3.934 24.237 ( 1.537 -1.600 3.090) 3.804 24.502 ( -2.762 1.955 2.495) 4.204 24.662 ( 0.412 -5.368 -3.351) 6.342 25.038 ( 4.117 1.168 -0.443) 4.303 25.049 ( -3.261 0.315 -0.533) 3.319 25.156 ( -2.512 0.755 1.753) 3.155 25.206 ( 0.806 -1.745 -0.649) 2.028 25.377 ( -0.456 3.549 1.085) 3.739 25.431 ( 1.452 4.530 -1.322) 4.937 25.487 ( -1.545 1.548 2.659) 3.443 25.655 ( -0.666 -3.021 -5.109) 5.973 ======================= Grid point 98 (46/88) ======================= q-point: ( 0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 11.552 10.029 7.222) 16.917 1.070 ( 4.372 4.835 -13.340) 14.848 1.238 ( 3.506 18.627 5.726) 19.800 1.526 ( -4.813 8.277 -6.434) 11.535 1.704 ( 0.549 -0.439 4.990) 5.039 1.884 ( 0.290 0.586 0.390) 0.761 2.023 ( 6.781 2.024 9.687) 11.996 2.110 ( 5.030 -5.177 -2.878) 7.771 2.149 ( -0.818 -12.176 -0.386) 12.209 2.200 ( 3.160 -11.970 1.630) 12.487 2.280 ( 3.231 -7.452 -0.430) 8.134 2.403 ( -1.816 6.065 1.479) 6.502 2.531 ( 2.428 -2.535 -2.643) 4.394 2.623 ( -1.458 -3.891 -1.068) 4.291 2.782 ( -5.973 -2.047 3.601) 7.269 2.798 ( 3.809 1.701 -2.102) 4.671 2.814 ( 0.646 -4.134 -1.582) 4.473 2.892 ( 2.218 1.167 -4.201) 4.892 2.946 ( -1.616 2.392 1.328) 3.177 2.979 ( -0.386 -1.765 3.191) 3.667 3.130 ( -0.132 -5.050 -2.291) 5.547 3.192 ( -2.682 1.008 1.242) 3.123 3.267 ( 1.718 0.520 -7.358) 7.574 3.369 ( 4.485 -2.034 -0.142) 4.927 3.514 ( -0.459 2.288 -2.424) 3.365 3.595 ( 1.169 7.202 3.110) 7.932 3.720 ( 3.870 -0.975 -0.989) 4.112 3.763 ( 1.228 -3.451 -4.262) 5.619 3.818 ( 0.684 -9.196 2.630) 9.589 3.859 ( -0.674 2.792 -2.031) 3.518 3.969 ( 2.429 -6.916 -0.542) 7.350 4.016 ( 0.651 -3.774 1.811) 4.236 4.114 ( -2.737 2.602 2.512) 4.536 4.249 ( -4.333 -1.675 3.936) 6.089 4.337 ( 1.510 -1.647 -3.758) 4.373 4.404 ( 3.494 -5.424 2.937) 7.089 4.439 ( -2.511 3.355 1.193) 4.357 4.528 ( 4.592 4.532 -1.552) 6.636 4.704 ( 2.503 -1.354 2.995) 4.131 4.798 ( 0.364 -0.986 -3.520) 3.673 4.833 ( -2.183 -1.943 8.753) 9.228 4.950 ( -0.447 -7.814 -4.985) 9.280 5.142 ( -0.616 -4.346 4.929) 6.600 5.288 ( -0.523 -7.956 0.775) 8.011 5.666 ( 0.186 6.792 -1.212) 6.902 5.733 ( -2.522 6.578 -2.724) 7.553 5.878 ( -0.073 3.148 -0.412) 3.175 6.077 ( 0.738 -1.715 -6.194) 6.469 6.455 ( -5.224 3.347 5.271) 8.141 6.507 ( -3.261 10.623 1.469) 11.209 6.560 ( -1.790 5.804 0.223) 6.078 6.716 ( -0.286 6.750 -3.329) 7.532 6.893 ( -1.703 -1.314 2.343) 3.180 6.943 ( 0.517 -6.217 -0.107) 6.239 6.971 ( -2.133 -1.711 -2.354) 3.608 6.982 ( -0.405 -0.823 -0.545) 1.067 7.141 ( -0.071 -1.981 0.371) 2.017 7.184 ( -0.509 -6.696 0.635) 6.745 7.395 ( -1.102 6.263 -0.716) 6.400 7.606 ( 5.263 6.438 -5.019) 9.712 7.724 ( -0.178 -1.567 6.298) 6.492 7.895 ( 1.026 1.189 -5.319) 5.546 7.995 ( -0.892 -0.935 2.519) 2.831 8.071 ( 0.458 -3.336 -0.625) 3.425 8.223 ( -3.500 -2.031 2.470) 4.741 8.301 ( -3.595 -4.591 1.373) 5.990 8.364 ( -5.876 0.288 0.953) 5.960 8.464 ( -4.610 3.194 -2.703) 6.226 8.521 ( 1.488 1.435 2.859) 3.528 8.666 ( 1.549 -0.667 -0.798) 1.866 8.785 ( -0.706 -0.599 -0.720) 1.172 8.893 ( 2.338 -3.811 -2.327) 5.041 9.505 ( -1.205 1.739 0.614) 2.203 9.545 ( 0.355 -0.422 0.338) 0.647 10.072 ( -1.005 4.856 0.159) 4.961 10.134 ( 1.218 3.243 0.210) 3.470 10.330 ( -0.296 3.861 -1.356) 4.103 10.386 ( 5.093 1.006 1.242) 5.338 10.808 ( 0.686 -6.033 -2.005) 6.394 10.920 ( 3.732 -7.007 -3.434) 8.650 11.111 ( -1.866 1.166 4.834) 5.312 11.197 ( -2.285 -3.525 -0.872) 4.290 11.320 ( -5.570 10.619 0.577) 12.005 11.516 ( 1.709 2.446 0.272) 2.997 11.548 ( 0.603 1.408 -0.838) 1.746 11.612 ( 0.551 -2.058 0.533) 2.197 11.735 ( -0.630 6.976 -8.035) 10.659 11.836 ( 0.772 -1.599 0.993) 2.034 12.234 ( -7.970 6.160 2.466) 10.371 12.443 ( -3.727 -3.153 1.566) 5.127 12.535 ( 1.812 2.116 1.356) 3.099 12.640 ( 2.991 3.673 -4.758) 6.714 12.745 ( -0.373 -0.251 0.531) 0.696 12.871 ( 3.198 -0.594 -2.659) 4.201 13.018 ( -2.771 4.045 0.146) 4.905 13.163 ( 3.002 -3.521 0.544) 4.659 13.290 ( -4.969 1.061 1.303) 5.245 13.429 ( 1.206 1.478 2.132) 2.861 13.558 ( -5.447 -4.732 -1.353) 7.341 13.683 ( 2.188 -4.672 3.959) 6.503 16.027 ( -0.819 4.245 3.079) 5.308 16.095 ( -2.017 1.617 -2.910) 3.893 16.352 ( -1.940 -1.140 -0.072) 2.251 16.354 ( -1.876 -1.186 0.055) 2.220 21.350 ( 0.043 1.022 4.301) 4.421 21.373 ( -0.993 -0.333 0.783) 1.307 21.652 ( -6.685 3.058 3.630) 8.199 21.784 ( -10.489 -2.503 -8.233) 13.567 22.687 ( 1.179 3.352 2.228) 4.194 22.757 ( 1.868 0.028 -1.158) 2.197 22.974 ( 0.592 0.356 0.035) 0.692 23.043 ( 1.891 -1.672 2.270) 3.395 23.123 ( -1.500 3.901 -1.850) 4.570 23.275 ( 1.818 -2.614 -4.801) 5.761 23.383 ( -0.671 2.988 2.106) 3.717 23.501 ( 3.246 -2.082 -0.214) 3.863 23.695 ( -0.370 0.310 0.226) 0.533 23.710 ( -0.603 -0.445 0.394) 0.847 23.824 ( -0.331 -1.090 2.452) 2.704 23.894 ( -0.574 -4.342 -2.801) 5.199 24.236 ( -0.295 2.141 -1.594) 2.685 24.344 ( 7.057 -3.463 0.050) 7.861 24.485 ( -2.152 1.620 4.534) 5.273 24.629 ( -1.433 -4.306 -1.926) 4.930 24.993 ( -1.789 3.155 -0.537) 3.666 25.091 ( -4.160 3.360 0.545) 5.375 25.108 ( 2.960 -2.744 -0.701) 4.097 25.197 ( -1.285 -2.141 0.692) 2.591 25.402 ( 1.792 3.002 0.807) 3.588 25.477 ( 4.545 5.261 -1.435) 7.099 25.515 ( 3.088 -1.335 2.277) 4.062 25.695 ( 7.216 -3.696 -2.737) 8.557 ======================= Grid point 99 (47/88) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 6.376 6.914 2.163) 9.650 1.239 ( 10.690 1.789 1.380) 10.926 1.398 ( 12.105 8.893 -6.691) 16.444 1.490 ( 6.693 11.542 2.505) 13.575 1.764 ( 2.984 -0.186 -0.531) 3.036 1.894 ( 3.681 -4.504 -3.447) 6.761 1.976 ( -7.224 -8.464 -4.729) 12.091 2.124 ( 1.315 -11.080 0.517) 11.169 2.208 ( 4.214 -7.658 -0.467) 8.754 2.293 ( 2.538 -5.862 -1.928) 6.673 2.344 ( 1.810 -1.392 1.465) 2.713 2.448 ( -1.367 -3.488 6.090) 7.150 2.549 ( -1.244 0.184 -1.357) 1.850 2.574 ( -1.251 -1.227 -0.672) 1.877 2.680 ( -7.847 0.749 3.358) 8.568 2.810 ( 2.344 -0.195 0.397) 2.385 2.818 ( -2.155 -2.149 3.733) 4.816 2.891 ( 1.882 -0.244 -2.054) 2.796 2.986 ( 1.913 0.597 1.912) 2.769 3.054 ( 7.968 0.392 -1.959) 8.215 3.128 ( 3.863 -2.847 -1.969) 5.187 3.173 ( -1.104 4.243 3.374) 5.532 3.267 ( 2.334 2.762 -3.865) 5.293 3.438 ( 3.036 4.618 -1.821) 5.819 3.549 ( 3.937 1.876 0.586) 4.400 3.649 ( 4.160 2.072 1.402) 4.854 3.741 ( -0.073 -5.935 -4.040) 7.179 3.768 ( 0.670 1.275 0.267) 1.465 3.804 ( -0.222 -0.037 -2.040) 2.052 3.879 ( 0.827 0.646 1.278) 1.654 3.984 ( 2.248 -8.473 -1.215) 8.850 4.031 ( -0.450 -2.492 1.428) 2.907 4.087 ( -1.586 -6.549 0.288) 6.744 4.215 ( -2.206 -2.530 3.570) 4.900 4.348 ( 0.412 4.266 -2.904) 5.177 4.387 ( -0.433 -3.657 -0.484) 3.714 4.470 ( -0.375 -4.795 3.311) 5.839 4.630 ( 7.434 2.453 -1.386) 7.950 4.749 ( 0.957 -3.087 0.208) 3.239 4.776 ( -1.117 0.714 0.107) 1.330 4.858 ( 0.147 -2.881 5.025) 5.794 4.931 ( 1.879 -2.774 -3.502) 4.847 5.158 ( -0.020 -2.327 1.160) 2.600 5.289 ( -0.575 -6.853 2.297) 7.250 5.616 ( -3.884 7.966 -2.525) 9.215 5.691 ( -1.191 5.658 -0.013) 5.782 5.856 ( -2.776 2.064 0.701) 3.529 6.028 ( -1.872 -1.300 -4.508) 5.051 6.366 ( -5.437 3.496 0.939) 6.532 6.465 ( -3.134 10.056 1.450) 10.632 6.530 ( -3.476 4.332 1.132) 5.669 6.662 ( -3.139 5.607 -1.633) 6.630 6.871 ( -4.365 3.786 1.730) 6.031 6.901 ( -0.981 -0.802 -0.119) 1.273 6.955 ( 0.797 -4.380 -2.010) 4.884 6.990 ( 1.500 -1.348 -0.192) 2.026 7.111 ( -3.421 -6.766 -0.114) 7.583 7.209 ( 1.716 -1.893 2.619) 3.658 7.364 ( -1.274 8.166 -2.560) 8.652 7.645 ( 2.851 1.958 -4.382) 5.583 7.763 ( -0.564 -1.093 4.854) 5.008 7.889 ( 2.263 0.260 -3.827) 4.454 7.977 ( -2.793 -1.577 1.614) 3.591 8.081 ( 0.405 -3.900 -1.019) 4.051 8.184 ( -2.243 -1.931 3.129) 4.307 8.236 ( -5.891 -4.065 -0.240) 7.161 8.262 ( -3.321 -1.865 1.431) 4.069 8.363 ( -5.655 -0.030 -0.160) 5.657 8.574 ( 1.265 0.930 3.344) 3.694 8.678 ( 0.477 0.304 -0.244) 0.616 8.765 ( -0.645 2.329 -1.694) 2.951 8.908 ( 1.066 -3.014 -2.304) 3.941 9.489 ( -1.124 1.755 1.110) 2.361 9.554 ( 0.356 -1.193 0.360) 1.296 10.063 ( -0.114 6.018 -0.036) 6.019 10.144 ( -0.416 3.747 0.058) 3.770 10.347 ( 3.394 4.755 -0.886) 5.909 10.502 ( 6.439 0.965 1.567) 6.697 10.794 ( 0.432 -4.669 -3.274) 5.719 10.962 ( 1.761 -7.366 -1.781) 7.781 11.105 ( -1.366 2.493 -0.118) 2.846 11.172 ( -1.454 -1.506 2.625) 3.358 11.225 ( -3.339 7.568 -0.238) 8.275 11.452 ( -6.589 -1.441 2.194) 7.093 11.606 ( 3.403 5.223 -0.367) 6.245 11.628 ( 2.437 4.728 -0.993) 5.411 11.732 ( 5.063 3.518 -5.228) 8.083 11.845 ( -0.383 -2.209 0.762) 2.368 12.133 ( -5.747 4.564 2.796) 7.853 12.369 ( -6.240 -4.867 2.959) 8.449 12.592 ( 2.189 3.535 3.142) 5.211 12.625 ( -0.159 7.134 -6.045) 9.352 12.771 ( 2.370 -1.307 1.215) 2.967 12.898 ( 1.723 -5.268 -2.633) 6.136 12.988 ( -0.356 6.861 1.154) 6.967 13.211 ( -2.588 -1.455 -0.974) 3.125 13.225 ( 0.769 -3.195 2.886) 4.374 13.404 ( -6.998 -9.085 -2.353) 11.707 13.486 ( 0.853 4.206 0.665) 4.343 13.733 ( 0.131 -6.077 3.553) 7.041 16.026 ( -1.281 3.461 1.595) 4.021 16.046 ( -1.402 2.948 -1.490) 3.588 16.308 ( -2.963 -1.227 0.057) 3.207 16.311 ( -2.670 -1.507 -0.168) 3.070 21.306 ( -3.953 1.670 -4.471) 6.197 21.361 ( -1.958 -0.596 -0.771) 2.187 21.533 ( -9.074 2.320 1.252) 9.449 21.588 ( -6.596 -0.552 3.540) 7.507 22.731 ( 1.993 3.564 1.672) 4.413 22.802 ( 3.398 -0.077 -0.395) 3.422 22.983 ( 0.891 1.646 -1.149) 2.196 23.081 ( -1.497 -0.623 2.113) 2.664 23.126 ( 3.193 1.961 1.695) 4.112 23.256 ( 0.421 -2.972 -4.205) 5.166 23.384 ( -1.266 2.999 1.553) 3.606 23.526 ( 0.166 -3.096 -1.104) 3.291 23.688 ( -0.261 0.413 -0.475) 0.681 23.709 ( 0.916 -0.323 -0.001) 0.971 23.845 ( 0.011 -0.324 2.026) 2.051 23.888 ( 1.823 -2.580 -0.589) 3.214 24.185 ( -2.245 5.366 -4.090) 7.111 24.430 ( 4.271 -4.824 -4.317) 7.755 24.479 ( -2.743 1.876 4.790) 5.830 24.601 ( -1.434 -2.711 1.534) 3.429 24.970 ( -0.690 3.483 -0.904) 3.664 25.040 ( -1.708 4.585 1.198) 5.037 25.118 ( -0.697 -3.516 -0.535) 3.624 25.202 ( 1.118 -2.974 -0.161) 3.182 25.443 ( 2.130 3.383 0.743) 4.066 25.557 ( 5.337 4.969 -1.668) 7.481 25.618 ( 6.068 -5.008 1.861) 8.085 25.821 ( 7.328 -6.662 -0.002) 9.904 ======================= Grid point 100 (48/88) ======================= q-point: ( 0.30 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 8.573 2.373 3.290) 9.484 1.404 ( 8.913 6.049 -2.176) 10.989 1.571 ( 11.560 2.180 -1.683) 11.884 1.695 ( 7.451 0.062 -2.042) 7.726 1.792 ( 6.770 -1.372 -4.672) 8.339 1.863 ( 0.051 -4.061 -2.942) 5.015 1.983 ( 6.552 -3.386 -0.404) 7.386 2.174 ( 3.328 -8.499 -1.666) 9.278 2.267 ( 3.447 -7.232 -1.199) 8.100 2.294 ( 0.913 -5.860 -2.349) 6.379 2.323 ( -6.145 0.299 7.585) 9.766 2.400 ( -5.200 -5.224 1.062) 7.447 2.481 ( -2.562 -0.429 -1.769) 3.143 2.535 ( -3.892 2.807 2.210) 5.283 2.592 ( -3.585 -1.283 1.257) 4.010 2.800 ( -1.524 -2.405 0.936) 2.998 2.843 ( -2.801 -3.477 1.513) 4.714 2.927 ( 2.080 -0.596 0.964) 2.369 3.045 ( -4.983 2.817 0.357) 5.735 3.057 ( 1.542 -0.287 1.314) 2.046 3.212 ( 4.045 -0.212 -0.500) 4.081 3.262 ( 5.685 -2.796 2.333) 6.751 3.328 ( 5.528 1.550 2.536) 6.277 3.497 ( 3.341 5.676 -3.439) 7.430 3.589 ( 4.357 0.854 -1.382) 4.650 3.684 ( -2.570 -1.573 -3.887) 4.918 3.744 ( -3.212 3.264 2.605) 5.269 3.767 ( 4.899 -0.455 0.075) 4.921 3.783 ( 1.299 -0.288 -3.756) 3.985 3.921 ( 6.278 2.975 -2.055) 7.245 4.019 ( -1.008 1.804 0.696) 2.180 4.066 ( 4.975 -8.168 -0.537) 9.579 4.092 ( 0.931 -7.725 2.458) 8.160 4.208 ( -2.759 -3.027 4.984) 6.451 4.309 ( 0.064 1.725 -5.042) 5.329 4.377 ( -1.881 -3.772 0.591) 4.256 4.469 ( 0.677 -5.903 -1.369) 6.098 4.717 ( -3.754 -4.024 1.116) 5.615 4.749 ( 5.339 0.743 0.656) 5.431 4.817 ( 5.845 3.842 0.364) 7.005 4.930 ( 3.105 -0.775 1.342) 3.470 4.948 ( 3.443 0.217 -1.458) 3.746 5.165 ( 0.764 -1.199 -0.850) 1.656 5.293 ( -1.335 -7.323 2.554) 7.870 5.527 ( -4.805 10.738 -0.365) 11.769 5.667 ( -1.708 5.551 0.041) 5.808 5.789 ( -5.151 -0.213 0.809) 5.218 5.940 ( -5.370 -1.667 -1.467) 5.811 6.307 ( -1.321 3.903 -0.446) 4.144 6.417 ( -3.508 12.715 1.575) 13.284 6.447 ( -4.979 1.441 -1.251) 5.332 6.600 ( -3.138 5.779 0.033) 6.576 6.790 ( -3.947 5.273 -0.493) 6.605 6.910 ( 0.314 -1.992 -0.034) 2.017 6.939 ( -1.993 -3.534 -0.102) 4.058 7.030 ( 2.942 -0.843 0.374) 3.083 7.055 ( -1.850 -6.095 0.223) 6.374 7.258 ( 0.820 -1.620 2.557) 3.136 7.315 ( -1.217 10.141 -2.928) 10.625 7.643 ( 0.497 -2.322 -3.739) 4.429 7.771 ( -1.964 0.536 3.428) 3.987 7.870 ( -1.581 -6.220 -5.074) 8.182 7.975 ( 0.779 -0.962 5.251) 5.395 8.045 ( -3.939 -0.062 -2.000) 4.418 8.117 ( -2.912 -4.962 -1.326) 5.904 8.202 ( -6.046 -1.218 3.148) 6.925 8.229 ( 1.579 -3.563 1.866) 4.321 8.304 ( -0.438 -3.912 1.186) 4.111 8.605 ( -0.330 2.109 2.079) 2.980 8.678 ( 0.099 2.456 -1.255) 2.760 8.744 ( -0.051 2.724 -1.174) 2.967 8.897 ( -0.098 -2.630 -2.714) 3.780 9.484 ( -0.800 1.670 1.874) 2.634 9.563 ( 0.363 -1.809 0.182) 1.854 10.064 ( 0.141 6.538 -0.003) 6.540 10.127 ( -1.056 4.337 -0.325) 4.475 10.428 ( 5.748 4.680 -0.017) 7.412 10.624 ( 5.603 -0.439 1.696) 5.870 10.782 ( 0.704 -1.017 -2.654) 2.928 10.952 ( -0.303 -4.603 -2.554) 5.272 11.039 ( -4.648 5.224 1.095) 7.078 11.173 ( -1.803 -2.438 1.829) 3.541 11.230 ( 3.598 2.352 -1.928) 4.711 11.371 ( -3.825 -1.116 0.912) 4.088 11.617 ( 1.401 7.780 -0.470) 7.919 11.721 ( 5.450 1.640 -0.273) 5.698 11.792 ( 4.470 1.772 -2.268) 5.317 11.845 ( -0.103 -1.774 1.400) 2.262 12.068 ( -3.689 3.159 1.943) 5.231 12.272 ( -7.122 -5.394 2.677) 9.326 12.562 ( -0.660 8.649 -6.394) 10.777 12.642 ( -0.102 5.604 3.706) 6.720 12.826 ( 2.276 -0.953 1.198) 2.743 12.908 ( 1.881 -5.623 -1.585) 6.138 13.013 ( 0.286 3.962 3.235) 5.123 13.164 ( -1.165 -0.390 0.459) 1.311 13.201 ( -8.078 -3.487 -0.517) 8.814 13.302 ( 2.440 -7.705 -4.939) 9.472 13.517 ( 0.662 1.092 2.413) 2.730 13.732 ( -2.384 -7.350 1.441) 7.860 16.013 ( -0.174 3.146 -0.665) 3.220 16.026 ( -0.812 2.961 0.602) 3.129 16.253 ( -3.187 -1.177 0.240) 3.406 16.264 ( -2.371 -1.707 -0.388) 2.947 21.194 ( -4.171 2.169 -3.788) 6.038 21.270 ( -3.984 -1.249 -3.873) 5.695 21.450 ( -3.723 2.875 3.628) 5.941 21.526 ( -4.293 -0.690 3.165) 5.378 22.777 ( 1.953 3.551 1.117) 4.204 22.856 ( 2.887 -0.496 -0.717) 3.016 22.988 ( 0.591 1.028 -0.866) 1.468 23.055 ( -1.857 -0.099 -0.763) 2.010 23.205 ( 2.742 0.201 4.142) 4.972 23.241 ( 0.366 -1.122 -1.338) 1.784 23.362 ( -1.767 2.302 0.573) 2.958 23.510 ( -0.774 -3.033 -0.985) 3.282 23.689 ( 0.523 1.285 -0.013) 1.387 23.728 ( 0.934 -0.260 0.065) 0.972 23.847 ( -0.241 0.946 0.040) 0.977 23.921 ( 0.497 -2.740 0.104) 2.786 24.131 ( -0.485 7.204 -1.814) 7.445 24.430 ( -0.640 1.935 -3.584) 4.123 24.474 ( -0.114 -4.102 1.857) 4.505 24.593 ( -1.233 -2.858 1.779) 3.585 24.958 ( -0.099 2.963 -0.038) 2.965 25.037 ( 0.306 4.766 -0.092) 4.777 25.107 ( -0.311 -4.027 0.795) 4.117 25.214 ( 0.588 -2.969 -0.840) 3.141 25.486 ( 1.945 4.001 0.836) 4.527 25.628 ( 4.446 4.501 -3.001) 7.002 25.738 ( 5.114 -6.393 2.840) 8.665 25.933 ( 4.902 -7.956 0.296) 9.350 ======================= Grid point 101 (49/88) ======================= q-point: ( 0.40 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 8.675 -0.269 1.617) 8.829 1.523 ( 7.962 0.837 -3.879) 8.896 1.681 ( -0.438 -7.147 4.539) 8.478 1.735 ( 1.696 -5.064 -2.567) 5.925 1.893 ( 6.741 2.970 -2.267) 7.707 1.976 ( 9.109 3.202 -4.001) 10.451 2.079 ( 3.111 -5.636 0.148) 6.439 2.182 ( -0.128 1.014 4.167) 4.290 2.233 ( -6.243 1.035 1.627) 6.534 2.280 ( 0.040 -9.079 1.337) 9.178 2.329 ( 0.611 -0.472 -0.111) 0.780 2.431 ( 5.432 -8.106 1.705) 9.906 2.469 ( 2.286 0.021 0.128) 2.290 2.487 ( -0.904 -1.007 0.917) 1.635 2.572 ( -0.219 -0.990 0.671) 1.216 2.730 ( -7.029 -3.626 0.558) 7.929 2.805 ( -0.407 0.035 -0.708) 0.818 2.890 ( -5.839 5.031 -2.361) 8.061 2.960 ( -3.417 2.295 0.213) 4.122 3.070 ( -1.161 -2.591 -0.446) 2.874 3.256 ( 1.046 -3.605 1.241) 3.953 3.323 ( -4.435 -2.487 1.658) 5.348 3.370 ( 1.237 -1.192 0.364) 1.755 3.543 ( 5.094 -10.067 2.039) 11.465 3.591 ( -1.890 -4.299 -6.490) 8.010 3.672 ( 1.140 -2.749 -1.125) 3.181 3.716 ( 1.957 6.443 2.162) 7.072 3.837 ( 2.410 4.304 1.073) 5.048 3.862 ( 7.725 4.119 -2.878) 9.215 3.990 ( -1.115 -1.974 -3.922) 4.530 4.036 ( 4.053 5.530 -0.632) 6.885 4.097 ( 1.329 -1.710 0.201) 2.175 4.131 ( 0.333 -1.852 3.709) 4.159 4.169 ( -4.641 -2.023 4.611) 6.848 4.297 ( -1.471 -2.247 -4.029) 4.842 4.372 ( 3.814 -5.193 0.366) 6.454 4.504 ( 5.543 -5.864 -3.460) 8.780 4.659 ( -3.699 -5.181 0.373) 6.377 4.838 ( 4.489 3.235 1.903) 5.851 4.925 ( 1.569 4.205 3.863) 5.922 4.955 ( 3.010 5.638 -2.836) 6.992 5.047 ( 5.832 -1.722 -0.642) 6.115 5.181 ( 2.444 -0.119 -1.386) 2.813 5.275 ( -2.870 -6.689 2.174) 7.596 5.442 ( -4.241 11.342 0.568) 12.123 5.601 ( -6.546 5.084 -0.236) 8.292 5.731 ( -0.784 -2.184 1.215) 2.620 5.836 ( -5.231 -2.049 0.265) 5.624 6.302 ( 0.600 4.049 -0.381) 4.111 6.354 ( -3.640 10.096 0.073) 10.733 6.385 ( -1.517 6.084 0.320) 6.279 6.547 ( -2.734 5.132 -0.512) 5.837 6.746 ( -0.855 5.808 0.915) 5.941 6.867 ( -3.311 -4.915 -1.066) 6.021 6.921 ( 0.285 -4.176 -1.266) 4.373 7.048 ( -0.187 -4.155 1.557) 4.441 7.100 ( 3.895 -0.382 0.140) 3.917 7.228 ( -2.401 3.661 -2.991) 5.302 7.325 ( 0.532 7.024 3.716) 7.964 7.614 ( -0.151 -4.414 -4.481) 6.291 7.743 ( -3.074 -2.046 1.667) 4.051 7.811 ( -1.231 -7.984 -1.713) 8.258 7.944 ( -3.660 -1.560 -2.570) 4.736 8.047 ( 0.186 0.145 5.218) 5.224 8.056 ( -1.825 -5.054 -2.403) 5.886 8.152 ( -1.549 -3.119 4.503) 5.693 8.272 ( 1.467 -2.476 0.925) 3.023 8.323 ( 0.584 -3.106 1.041) 3.327 8.584 ( -2.753 4.739 0.416) 5.496 8.672 ( 1.219 2.956 -3.263) 4.568 8.749 ( 0.588 2.106 0.487) 2.240 8.872 ( -0.115 -2.415 -3.050) 3.892 9.486 ( -0.812 1.501 2.518) 3.042 9.567 ( 0.158 -2.228 -0.169) 2.240 10.067 ( 0.092 6.401 0.185) 6.405 10.109 ( -0.511 4.488 -0.622) 4.560 10.534 ( 5.538 4.012 0.636) 6.868 10.704 ( 1.107 -2.931 0.996) 3.288 10.778 ( 1.158 4.219 -1.429) 4.602 10.931 ( 0.387 -3.802 -3.026) 4.874 10.994 ( -1.864 3.210 3.255) 4.937 11.142 ( -2.772 -1.704 2.181) 3.917 11.269 ( 2.588 0.634 -4.160) 4.940 11.320 ( -1.572 1.477 -2.466) 3.276 11.661 ( 1.929 4.859 3.180) 6.119 11.787 ( 2.636 -0.694 -0.233) 2.736 11.862 ( 0.905 0.584 2.060) 2.324 11.866 ( 4.323 0.812 -0.911) 4.491 12.031 ( -1.112 2.094 -0.391) 2.403 12.153 ( -7.564 -3.352 0.305) 8.279 12.533 ( 1.735 8.161 -2.600) 8.739 12.649 ( -1.726 6.471 3.344) 7.486 12.850 ( 0.317 -2.274 -1.702) 2.858 12.949 ( 2.407 -2.785 1.915) 4.149 13.000 ( -4.981 -0.021 -0.934) 5.068 13.068 ( -3.253 -3.045 2.067) 4.912 13.187 ( 2.503 0.172 -0.537) 2.566 13.320 ( 2.301 -5.176 -3.854) 6.851 13.541 ( -0.011 -1.835 2.574) 3.161 13.683 ( -3.011 -7.455 -0.440) 8.052 16.013 ( 0.284 2.744 -0.004) 2.758 16.020 ( -0.002 2.599 -0.052) 2.600 16.205 ( -2.303 -0.926 0.454) 2.523 16.226 ( -1.368 -1.823 -0.531) 2.340 21.130 ( -1.177 2.161 0.135) 2.464 21.208 ( -1.179 -1.330 -0.222) 1.790 21.408 ( -2.891 2.291 -0.054) 3.690 21.470 ( -3.108 -0.587 -0.871) 3.281 22.813 ( 1.226 2.971 0.622) 3.274 22.890 ( 1.729 -0.929 -1.390) 2.405 22.993 ( 0.209 0.152 -0.320) 0.411 23.020 ( -0.795 -0.549 -0.529) 1.102 23.237 ( -1.104 0.568 2.989) 3.237 23.276 ( 1.152 -1.386 2.753) 3.291 23.347 ( 0.512 3.176 -0.174) 3.222 23.486 ( -0.879 -1.560 -1.558) 2.373 23.703 ( 0.821 1.290 0.352) 1.569 23.738 ( 0.040 0.020 0.048) 0.065 23.844 ( 0.084 1.241 -0.260) 1.270 23.901 ( -1.273 -0.690 -1.265) 1.923 24.140 ( 0.872 6.098 1.310) 6.298 24.381 ( -1.329 3.623 -3.956) 5.526 24.494 ( 0.885 -5.259 1.380) 5.508 24.580 ( -1.196 -3.734 0.637) 3.972 24.964 ( 0.304 2.676 0.654) 2.772 25.039 ( 0.383 4.173 -1.220) 4.364 25.117 ( 0.138 -4.061 1.720) 4.412 25.213 ( 0.172 -3.002 -0.988) 3.165 25.520 ( 1.056 4.574 1.143) 4.832 25.665 ( 2.666 4.297 -4.081) 6.498 25.832 ( 2.556 -6.755 3.971) 8.242 25.995 ( 2.397 -7.745 -0.833) 8.150 ======================= Grid point 102 (50/88) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -2.230 -1.795 2.877) 4.059 1.618 ( 1.097 -5.383 2.088) 5.878 1.703 ( 8.829 -2.084 -2.298) 9.358 1.730 ( -1.463 -3.927 -2.547) 4.904 1.895 ( -3.570 0.694 2.772) 4.573 2.026 ( -3.958 -3.245 1.968) 5.483 2.098 ( -1.521 0.614 -0.011) 1.640 2.183 ( 4.730 -3.374 -2.725) 6.417 2.269 ( 1.982 4.354 3.054) 5.676 2.319 ( 0.319 -2.952 1.589) 3.367 2.363 ( 3.645 0.424 1.320) 3.899 2.434 ( -3.799 -2.109 2.030) 4.796 2.456 ( -0.383 -3.678 0.652) 3.755 2.570 ( -0.417 -4.384 -0.794) 4.475 2.618 ( 2.533 -6.433 0.805) 6.960 2.641 ( 0.448 -4.834 0.195) 4.859 2.760 ( -0.434 5.290 -0.877) 5.380 2.815 ( -3.429 5.024 -1.125) 6.186 2.894 ( 0.314 2.855 -3.155) 4.267 3.011 ( -1.285 -2.670 -5.668) 6.396 3.236 ( -2.188 -3.300 5.294) 6.611 3.328 ( 1.679 -1.748 1.284) 2.743 3.369 ( -1.714 -2.607 -0.898) 3.246 3.516 ( -1.423 -6.261 -5.483) 8.443 3.645 ( 4.621 -9.616 1.027) 10.719 3.698 ( 1.635 -4.485 1.016) 4.881 3.766 ( 0.794 3.670 3.232) 4.955 3.859 ( -0.340 4.279 0.587) 4.333 3.906 ( -3.374 0.870 -5.166) 6.231 3.966 ( 4.308 1.707 -2.245) 5.149 4.063 ( 1.189 4.940 0.760) 5.138 4.091 ( -3.677 1.826 2.265) 4.689 4.096 ( -3.904 -0.979 1.077) 4.166 4.177 ( -2.406 -8.171 2.480) 8.871 4.272 ( 2.067 1.268 0.259) 2.439 4.451 ( 6.484 -4.427 -5.902) 9.822 4.570 ( -5.311 -5.220 -0.435) 7.459 4.591 ( 3.870 -6.483 -0.307) 7.556 4.921 ( -0.799 6.954 0.681) 7.033 4.934 ( -3.555 6.135 0.185) 7.093 4.955 ( 1.883 3.442 3.234) 5.085 5.110 ( 2.995 -0.745 -3.947) 5.010 5.206 ( -5.179 1.718 1.922) 5.786 5.232 ( 1.457 -1.088 0.918) 2.037 5.438 ( 1.403 1.712 0.807) 2.355 5.489 ( -1.542 7.405 -0.336) 7.572 5.755 ( -0.243 -2.089 1.665) 2.683 5.783 ( 1.023 -2.796 0.146) 2.981 6.306 ( -0.226 3.302 -0.237) 3.318 6.316 ( -0.159 12.853 -0.566) 12.866 6.392 ( 1.145 4.855 2.197) 5.450 6.504 ( -0.519 4.821 -2.078) 5.276 6.755 ( -1.030 3.618 2.434) 4.481 6.840 ( 2.252 -4.937 -0.089) 5.427 6.926 ( 1.781 -2.641 -1.764) 3.641 7.024 ( -3.089 0.229 -1.434) 3.414 7.151 ( -0.263 0.909 -0.169) 0.961 7.182 ( 0.653 -0.138 -0.818) 1.056 7.362 ( 0.280 6.070 4.548) 7.590 7.579 ( 0.825 -2.076 -5.708) 6.129 7.717 ( -0.828 -6.931 1.616) 7.165 7.800 ( 0.652 -8.355 -1.377) 8.493 7.895 ( 0.261 -1.959 -0.898) 2.171 7.983 ( -1.187 -2.753 -3.383) 4.520 8.116 ( 0.437 -2.587 6.145) 6.681 8.186 ( 0.554 -1.794 5.700) 6.001 8.282 ( -0.762 -2.779 -0.647) 2.954 8.323 ( -0.911 -2.593 -0.366) 2.772 8.540 ( -1.676 6.153 -0.352) 6.387 8.671 ( 1.651 2.583 -3.716) 4.817 8.764 ( 0.284 1.894 1.079) 2.198 8.853 ( 0.766 -1.702 -3.370) 3.852 9.491 ( -0.971 1.353 2.878) 3.325 9.565 ( -0.126 -2.460 -0.467) 2.507 10.070 ( 0.052 6.088 0.390) 6.101 10.100 ( 0.172 4.670 -0.854) 4.750 10.599 ( -0.990 3.144 1.665) 3.693 10.693 ( 0.558 0.180 -1.448) 1.562 10.802 ( 1.253 1.717 -0.187) 2.134 10.918 ( -0.074 -1.429 -0.786) 1.632 11.022 ( 1.939 -0.324 2.655) 3.304 11.122 ( -1.926 -0.130 3.705) 4.178 11.247 ( -0.566 1.404 -5.765) 5.961 11.281 ( -0.106 1.854 -4.136) 4.533 11.714 ( 0.369 3.779 4.709) 6.048 11.830 ( 1.682 -1.851 0.062) 2.502 11.870 ( -0.958 1.178 2.692) 3.091 11.936 ( 2.580 -0.539 0.487) 2.680 12.017 ( -6.516 0.405 -1.870) 6.791 12.032 ( 2.763 0.606 -2.846) 4.013 12.571 ( 0.816 7.549 1.804) 7.804 12.656 ( 1.850 4.686 2.787) 5.757 12.814 ( -1.766 1.006 -3.132) 3.734 12.901 ( -2.261 0.112 -3.961) 4.562 13.012 ( 1.991 -3.553 3.575) 5.419 13.069 ( -0.509 -5.288 3.101) 6.151 13.207 ( -0.293 1.085 -0.664) 1.305 13.320 ( 1.150 -3.538 -4.316) 5.698 13.557 ( -0.358 -4.119 2.852) 5.023 13.642 ( -0.585 -6.840 -1.216) 6.971 16.010 ( -0.705 2.930 0.361) 3.035 16.028 ( 0.762 1.959 -0.409) 2.142 16.185 ( -0.288 -0.706 0.552) 0.941 16.212 ( 0.296 -1.887 -0.568) 1.993 21.156 ( 2.272 1.927 3.698) 4.748 21.225 ( 1.940 -1.206 2.661) 3.507 21.348 ( -2.216 2.026 -3.347) 4.496 21.405 ( -1.958 -0.626 -4.145) 4.627 22.825 ( -0.411 1.846 0.667) 2.006 22.892 ( 0.179 -1.484 -2.223) 2.678 22.996 ( 0.607 0.511 0.326) 0.858 23.019 ( 0.249 -0.426 -0.185) 0.527 23.241 ( -1.782 1.274 4.193) 4.731 23.295 ( -0.025 -0.159 2.577) 2.582 23.366 ( 0.563 2.033 0.113) 2.113 23.462 ( 0.364 -0.708 -2.664) 2.781 23.716 ( -0.239 0.905 0.688) 1.162 23.736 ( 0.201 0.422 -0.042) 0.470 23.847 ( 0.249 0.966 0.060) 1.000 23.881 ( 0.418 0.012 -1.483) 1.541 24.165 ( 0.357 5.965 2.603) 6.518 24.331 ( -0.528 3.865 -4.937) 6.293 24.524 ( 1.084 -5.174 1.812) 5.588 24.562 ( -0.869 -4.405 -0.359) 4.504 24.973 ( -0.125 2.696 1.075) 2.905 25.031 ( -0.177 3.590 -1.602) 3.935 25.132 ( -0.112 -3.829 2.064) 4.351 25.207 ( 0.168 -3.218 -1.222) 3.446 25.538 ( -0.263 4.765 1.604) 5.034 25.662 ( 0.626 4.318 -4.481) 6.254 25.880 ( -0.909 -7.024 4.536) 8.411 26.009 ( 0.470 -7.198 -1.823) 7.440 ======================= Grid point 103 (51/88) ======================= q-point: (-0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -13.295 -1.080 0.883) 13.368 1.555 ( -9.237 -4.910 -1.971) 10.645 1.715 ( 0.627 -0.247 0.814) 1.057 1.815 ( -6.210 2.544 -1.528) 6.883 1.874 ( 6.203 -0.433 -2.037) 6.543 1.991 ( 1.216 -6.487 0.787) 6.647 2.034 ( -4.517 0.283 -1.211) 4.685 2.209 ( -8.423 -3.387 2.510) 9.419 2.268 ( 0.175 -6.708 -2.311) 7.098 2.318 ( 0.052 -1.780 0.682) 1.906 2.347 ( -6.333 0.157 2.707) 6.889 2.421 ( 3.421 -1.407 2.844) 4.666 2.444 ( -3.599 1.257 0.048) 3.812 2.555 ( -0.744 -3.762 1.809) 4.240 2.631 ( 2.623 -2.884 1.614) 4.219 2.714 ( 2.699 0.967 -1.488) 3.230 2.745 ( 5.576 -2.975 -0.510) 6.341 2.888 ( 6.179 2.471 1.707) 6.870 2.919 ( 2.603 -3.496 1.557) 4.628 2.998 ( 4.436 0.239 -6.277) 7.690 3.246 ( -1.702 -1.399 3.248) 3.925 3.329 ( -1.850 -1.498 -0.274) 2.397 3.357 ( 0.657 0.358 2.692) 2.794 3.457 ( -0.394 -1.506 -4.930) 5.170 3.660 ( -3.319 2.558 -0.179) 4.194 3.753 ( 2.018 0.800 -1.762) 2.796 3.783 ( -1.644 -6.628 2.465) 7.260 3.816 ( -2.366 -0.959 -4.395) 5.082 3.826 ( -3.799 2.415 1.380) 4.708 3.967 ( -0.591 -1.761 -2.640) 3.228 4.021 ( -3.824 0.458 0.496) 3.883 4.044 ( -2.097 -2.856 -0.194) 3.548 4.096 ( 0.441 -1.437 2.768) 3.150 4.187 ( 1.535 -1.302 2.613) 3.298 4.280 ( -2.088 -0.560 -0.080) 2.163 4.426 ( -5.584 -3.145 -2.007) 6.716 4.516 ( 2.757 -6.249 -4.942) 8.431 4.666 ( 3.231 -4.393 1.336) 5.615 4.810 ( -7.891 5.255 2.081) 9.706 4.890 ( -4.130 5.690 1.732) 7.241 4.970 ( -4.164 0.413 -0.757) 4.253 5.117 ( 0.430 -1.160 -3.428) 3.644 5.133 ( -1.033 2.948 1.738) 3.575 5.254 ( -1.302 -3.450 2.414) 4.408 5.450 ( 3.663 6.721 0.312) 7.661 5.586 ( 6.718 7.010 -0.250) 9.713 5.753 ( 0.850 -3.257 0.964) 3.501 5.858 ( 5.175 -2.608 0.397) 5.808 6.309 ( 1.219 3.901 -0.261) 4.096 6.332 ( 2.121 12.116 -0.203) 12.302 6.433 ( 1.583 3.577 1.216) 4.096 6.517 ( 3.662 5.426 -1.420) 6.699 6.751 ( -0.088 0.268 1.044) 1.081 6.914 ( 4.111 -3.495 -1.940) 5.734 6.953 ( -1.185 1.122 -1.534) 2.239 6.967 ( 2.623 0.707 2.328) 3.577 7.100 ( -3.856 -2.145 0.177) 4.416 7.197 ( 0.125 3.285 -1.449) 3.592 7.407 ( 0.922 0.053 4.468) 4.563 7.563 ( 2.087 2.063 -6.179) 6.840 7.727 ( 0.033 -6.844 1.647) 7.039 7.807 ( 2.544 -5.691 -2.257) 6.630 7.941 ( 2.901 -2.256 -0.100) 3.676 7.980 ( 4.200 -4.029 -0.749) 5.868 8.159 ( -0.287 -2.034 5.888) 6.236 8.217 ( -2.774 -0.209 0.733) 2.876 8.260 ( 0.225 -4.392 2.840) 5.235 8.290 ( -1.623 -3.817 -1.784) 4.515 8.527 ( 0.023 6.714 0.375) 6.725 8.676 ( 1.514 2.139 -2.499) 3.621 8.771 ( -0.216 1.294 0.652) 1.465 8.852 ( 2.150 -0.959 -3.699) 4.384 9.496 ( -0.882 1.284 2.937) 3.324 9.556 ( -0.425 -2.328 -0.577) 2.435 10.073 ( -0.155 6.008 0.325) 6.019 10.103 ( 0.893 5.008 -0.754) 5.143 10.535 ( -5.494 3.566 0.563) 6.574 10.686 ( -2.896 -2.243 0.745) 3.738 10.833 ( 3.953 3.432 -2.274) 5.707 10.918 ( -0.155 0.380 0.396) 0.570 11.074 ( 1.126 -1.569 1.043) 2.195 11.123 ( -1.175 -0.606 4.222) 4.424 11.193 ( -0.245 3.215 -5.152) 6.077 11.254 ( 0.661 0.767 -2.674) 2.860 11.734 ( -1.322 3.674 2.827) 4.820 11.811 ( -3.277 0.875 -0.396) 3.415 11.871 ( -6.010 0.261 -0.302) 6.023 11.889 ( 0.726 -3.046 0.021) 3.132 12.020 ( 3.835 2.258 3.473) 5.645 12.081 ( 4.820 -0.663 -2.761) 5.594 12.553 ( -1.937 7.830 -1.019) 8.130 12.768 ( -1.471 3.490 -0.484) 3.818 12.774 ( 5.923 2.353 4.040) 7.545 12.864 ( 1.253 1.138 -2.682) 3.171 13.036 ( -1.963 -5.914 1.916) 6.519 13.093 ( 1.467 -4.030 -0.062) 4.289 13.183 ( -1.742 0.805 0.978) 2.154 13.301 ( 0.850 -2.322 -4.598) 5.221 13.578 ( 0.057 -5.837 4.044) 7.102 13.637 ( 0.907 -5.964 -2.046) 6.370 15.997 ( -0.870 3.561 -0.029) 3.665 16.037 ( 0.545 1.786 -0.027) 1.867 16.204 ( 1.895 -0.795 0.386) 2.091 16.228 ( 1.858 -1.945 -0.463) 2.729 21.247 ( 2.498 1.336 1.744) 3.326 21.277 ( 2.627 1.348 -1.791) 3.454 21.316 ( 0.739 0.142 0.504) 0.906 21.363 ( 2.673 -0.375 -1.444) 3.061 22.808 ( -2.107 1.409 0.826) 2.665 22.874 ( -0.515 -1.494 -1.486) 2.169 23.009 ( 0.244 0.092 -0.275) 0.379 23.014 ( -0.106 -0.485 -0.955) 1.076 23.228 ( -2.783 3.975 3.575) 6.027 23.331 ( 1.300 1.168 3.003) 3.474 23.363 ( -0.617 1.158 0.411) 1.375 23.465 ( 2.012 -2.525 -2.719) 4.221 23.705 ( -0.976 1.057 0.346) 1.480 23.739 ( -0.279 0.058 0.068) 0.293 23.848 ( -0.309 0.770 -0.098) 0.835 23.893 ( 1.894 -0.683 -1.422) 2.465 24.199 ( 0.994 5.985 3.914) 7.220 24.290 ( 0.225 3.713 -5.517) 6.654 24.541 ( -0.532 -3.916 -0.923) 4.058 24.561 ( 1.082 -5.042 1.867) 5.484 24.975 ( -0.528 2.892 1.313) 3.219 25.010 ( -0.812 3.219 -1.558) 3.667 25.142 ( -0.463 -3.298 2.025) 3.897 25.201 ( 0.289 -3.498 -1.620) 3.866 25.534 ( -1.697 4.429 1.972) 5.136 25.624 ( -1.199 4.341 -4.046) 6.054 25.861 ( -4.567 -6.434 3.294) 8.551 25.992 ( -1.092 -7.703 -1.013) 7.846 ======================= Grid point 104 (52/88) ======================= q-point: (-0.30 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -15.016 3.231 1.280) 15.413 1.394 ( -7.106 0.247 -1.454) 7.257 1.631 ( -10.582 1.509 -0.694) 10.712 1.679 ( -5.939 3.244 -0.115) 6.769 1.856 ( -1.319 4.689 -6.163) 7.856 1.973 ( -3.959 -5.606 -7.248) 9.981 2.000 ( -1.548 -7.392 0.305) 7.559 2.109 ( -0.972 -5.934 1.368) 6.167 2.183 ( -8.376 -5.312 2.721) 10.285 2.234 ( -2.245 -10.413 -2.055) 10.849 2.332 ( -2.054 -0.241 2.892) 3.556 2.411 ( -0.406 -0.379 0.797) 0.972 2.533 ( 7.025 -1.572 -0.293) 7.204 2.598 ( 2.464 -0.588 1.593) 2.992 2.665 ( -2.723 3.090 0.801) 4.196 2.767 ( 1.618 -2.170 4.285) 5.068 2.837 ( 4.521 -2.372 1.582) 5.345 2.952 ( 4.152 -2.079 -3.867) 6.043 2.998 ( -0.061 1.098 1.631) 1.967 3.051 ( 3.590 -0.752 0.961) 3.792 3.226 ( -1.927 -0.395 3.059) 3.637 3.289 ( -2.214 -2.513 1.101) 3.526 3.396 ( -1.608 5.995 1.754) 6.450 3.474 ( 6.301 5.268 -0.819) 8.254 3.579 ( -2.875 -1.374 -2.540) 4.075 3.665 ( -6.353 -0.463 -1.988) 6.673 3.686 ( -7.608 2.973 -3.214) 8.778 3.743 ( -2.908 0.869 -1.484) 3.378 3.821 ( 0.737 -1.102 -1.443) 1.959 3.959 ( 1.244 -3.966 -3.818) 5.644 3.991 ( -0.337 -4.888 2.160) 5.355 4.011 ( -3.106 -2.170 2.378) 4.473 4.138 ( 1.407 -4.586 2.665) 5.487 4.184 ( -4.174 -7.883 2.375) 9.231 4.254 ( 1.335 4.892 -2.145) 5.506 4.361 ( -1.126 -2.014 -0.491) 2.359 4.493 ( -1.660 -8.171 -2.631) 8.743 4.696 ( -3.257 3.202 2.543) 5.228 4.722 ( -1.456 -5.757 0.247) 5.943 4.819 ( -5.254 6.835 -0.676) 8.647 4.860 ( -4.946 1.331 1.323) 5.290 5.095 ( 0.260 -2.749 -3.835) 4.725 5.171 ( 2.854 -0.646 0.543) 2.976 5.228 ( -4.178 -4.854 4.467) 7.808 5.548 ( 6.284 8.971 -0.744) 10.978 5.663 ( 2.575 7.220 -0.122) 7.666 5.809 ( 3.731 -0.430 1.021) 3.892 5.950 ( 5.466 -3.987 -1.307) 6.890 6.337 ( 2.163 3.731 -0.850) 4.396 6.387 ( 3.412 11.349 1.053) 11.897 6.478 ( 3.543 4.809 -0.315) 5.982 6.591 ( 4.614 3.918 -0.158) 6.055 6.773 ( 2.118 2.729 -0.143) 3.458 6.906 ( 0.267 -2.494 -0.760) 2.621 7.005 ( 3.644 -4.434 -0.939) 5.815 7.032 ( -0.536 -4.722 1.049) 4.867 7.050 ( 0.963 2.377 2.193) 3.374 7.169 ( -1.342 6.318 -1.305) 6.590 7.442 ( -0.267 -4.301 1.754) 4.652 7.546 ( 0.946 2.684 -5.392) 6.097 7.746 ( 0.885 -2.741 1.479) 3.238 7.854 ( 3.233 -0.957 -0.828) 3.472 7.985 ( 3.217 0.584 0.130) 3.272 8.089 ( 4.841 -5.804 0.635) 7.585 8.144 ( -3.554 -2.828 -0.454) 4.565 8.203 ( 1.022 -2.095 3.643) 4.325 8.255 ( 0.429 -3.261 -1.327) 3.546 8.305 ( 1.893 -4.397 2.107) 5.231 8.539 ( 0.093 6.221 2.292) 6.631 8.684 ( 0.579 1.262 -0.549) 1.493 8.769 ( 0.224 1.095 -0.976) 1.484 8.871 ( 2.755 -1.227 -3.224) 4.415 9.504 ( -0.527 1.131 2.601) 2.885 9.543 ( -0.591 -1.736 -0.523) 1.907 10.069 ( -0.344 6.189 0.032) 6.199 10.119 ( 1.263 5.069 -0.355) 5.236 10.439 ( -5.230 3.566 -0.050) 6.330 10.608 ( -6.037 -2.178 1.299) 6.549 10.893 ( 2.043 0.521 0.667) 2.212 10.901 ( 1.154 2.877 -6.367) 7.082 11.058 ( -2.323 0.245 2.428) 3.369 11.156 ( 1.245 -3.120 -1.730) 3.779 11.174 ( 1.377 4.481 1.999) 5.096 11.283 ( 3.306 1.620 0.079) 3.683 11.716 ( -1.339 4.087 -0.659) 4.351 11.725 ( -5.517 2.130 0.164) 5.916 11.768 ( -5.105 -0.462 -0.608) 5.162 11.910 ( 1.891 -4.290 -1.980) 5.089 12.133 ( 4.803 1.789 5.070) 7.209 12.166 ( 6.020 0.362 0.885) 6.096 12.511 ( -0.872 7.180 -2.834) 7.768 12.754 ( 0.341 3.476 -0.724) 3.567 12.814 ( -1.358 -0.679 0.313) 1.550 12.951 ( 2.542 7.486 3.161) 8.514 13.002 ( -0.383 -8.354 1.126) 8.438 13.108 ( 0.880 -2.809 -0.301) 2.959 13.151 ( -1.492 0.431 -1.399) 2.091 13.304 ( 2.834 -1.335 -3.281) 4.536 13.609 ( -0.150 -5.419 0.260) 5.427 13.645 ( 1.243 -7.575 2.887) 8.201 15.982 ( -0.625 4.683 -0.178) 4.727 16.053 ( 1.343 1.821 0.109) 2.266 16.251 ( 2.972 -0.992 0.145) 3.136 16.266 ( 2.662 -1.953 -0.293) 3.314 21.222 ( 0.358 1.768 -4.936) 5.256 21.278 ( 0.098 -0.786 -4.496) 4.565 21.416 ( 6.644 3.035 4.755) 8.716 21.500 ( 8.911 -0.100 3.806) 9.690 22.769 ( -2.894 2.003 0.937) 3.642 22.849 ( -1.592 -1.136 -0.473) 2.012 22.995 ( -0.331 -0.925 -1.412) 1.720 23.009 ( -0.441 -1.509 0.053) 1.573 23.201 ( -2.644 7.695 2.077) 8.397 23.352 ( 0.200 2.540 -0.835) 2.681 23.376 ( 0.438 -0.644 2.784) 2.891 23.487 ( 2.145 -4.533 -1.927) 5.372 23.693 ( -0.601 0.744 0.038) 0.958 23.726 ( -1.262 -0.093 0.074) 1.267 23.834 ( -0.995 1.354 -0.145) 1.687 23.922 ( 1.995 -2.134 -0.029) 2.921 24.242 ( 0.194 2.859 -3.878) 4.822 24.258 ( 0.761 3.506 1.023) 3.731 24.527 ( 0.134 -2.206 -0.823) 2.358 24.595 ( 0.962 -3.878 2.137) 4.532 24.975 ( -0.283 3.376 -0.446) 3.417 24.987 ( -0.360 2.897 0.448) 2.953 25.148 ( -0.236 -2.493 1.443) 2.890 25.193 ( 0.263 -3.668 -1.640) 4.027 25.507 ( -2.931 3.767 1.944) 5.154 25.564 ( -2.512 4.199 -2.818) 5.647 25.775 ( -6.943 -4.586 1.443) 8.445 25.954 ( -3.080 -9.453 0.416) 9.951 ======================= Grid point 105 (53/88) ======================= q-point: (-0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -8.610 14.787 3.255) 17.418 1.184 ( -14.489 11.742 -4.764) 19.248 1.518 ( -8.152 5.167 -3.842) 10.388 1.579 ( 1.271 -7.092 8.007) 10.772 1.818 ( 0.841 6.759 -7.409) 10.064 1.862 ( -3.128 -6.331 -1.268) 7.175 1.912 ( -3.829 -7.899 -2.889) 9.241 2.026 ( -6.019 -6.949 -0.630) 9.215 2.174 ( -4.183 1.561 1.986) 4.887 2.198 ( 0.608 -14.424 -2.561) 14.662 2.320 ( -0.389 -2.575 5.107) 5.733 2.403 ( -1.353 -3.337 0.830) 3.695 2.532 ( -5.168 4.844 0.062) 7.083 2.642 ( 5.216 -1.084 -2.461) 5.869 2.687 ( 1.690 -1.743 1.911) 3.090 2.754 ( -5.840 0.117 3.062) 6.595 2.906 ( -0.261 -2.012 4.405) 4.850 2.990 ( 1.252 -5.606 0.352) 5.754 3.015 ( 5.739 4.194 -5.717) 9.122 3.074 ( -1.609 0.705 -0.664) 1.878 3.212 ( -2.222 -1.603 0.739) 2.838 3.296 ( -0.961 -1.326 6.769) 6.965 3.308 ( -4.971 4.912 -2.671) 7.481 3.497 ( -5.851 0.024 -3.185) 6.662 3.526 ( -2.733 2.844 -6.302) 7.434 3.557 ( 1.092 2.984 1.238) 3.410 3.688 ( 1.629 -3.450 3.140) 4.941 3.703 ( 5.009 1.936 -2.751) 6.034 3.814 ( -0.555 0.725 -1.480) 1.739 3.938 ( -0.487 -2.206 -2.554) 3.410 3.967 ( -1.406 -5.621 -0.747) 5.842 4.010 ( -1.882 -8.351 3.403) 9.212 4.118 ( -2.408 -5.566 0.174) 6.067 4.185 ( -1.451 -1.213 6.044) 6.333 4.245 ( 0.686 4.875 -3.730) 6.177 4.360 ( 1.057 -0.978 -0.421) 1.500 4.461 ( -1.083 -8.206 2.398) 8.617 4.643 ( -4.296 -1.125 0.095) 4.442 4.690 ( -1.492 -0.385 0.257) 1.562 4.740 ( -2.368 1.573 -0.631) 2.912 4.828 ( -0.742 2.204 1.786) 2.932 5.062 ( -0.829 -2.953 -3.433) 4.603 5.178 ( -3.982 -6.536 2.785) 8.145 5.226 ( 1.141 -3.853 3.057) 5.049 5.629 ( 3.977 9.363 -2.899) 10.577 5.712 ( 3.666 8.055 -0.196) 8.852 5.862 ( 0.770 1.589 1.768) 2.498 6.029 ( 5.894 -5.665 -4.993) 9.579 6.373 ( 2.013 5.079 0.657) 5.503 6.458 ( 3.280 11.547 2.053) 12.178 6.549 ( 3.793 5.526 0.581) 6.728 6.665 ( 4.187 1.291 -1.379) 4.593 6.825 ( 3.437 4.712 0.505) 5.855 6.916 ( 0.550 -8.398 -0.108) 8.416 6.996 ( -0.493 -1.566 -0.539) 1.728 7.046 ( -1.195 -0.687 -0.462) 1.453 7.106 ( 4.232 -4.073 -1.135) 5.982 7.164 ( -0.126 6.053 3.348) 6.918 7.422 ( -0.369 -2.692 -3.490) 4.423 7.530 ( -0.165 1.934 -0.998) 2.182 7.759 ( -1.282 0.155 1.433) 1.929 7.897 ( 2.744 1.028 -1.815) 3.446 8.039 ( 0.448 2.615 2.033) 3.342 8.070 ( -1.607 -1.273 -0.776) 2.192 8.152 ( 1.302 -5.382 -0.134) 5.539 8.248 ( 2.657 -5.205 1.948) 6.160 8.308 ( 3.234 -1.809 1.548) 4.016 8.370 ( 5.086 -1.547 -1.265) 5.464 8.569 ( 0.935 2.418 3.908) 4.690 8.682 ( -0.828 -0.160 0.169) 0.860 8.769 ( 1.005 1.071 -1.911) 2.410 8.892 ( 1.778 -2.167 -2.471) 3.736 9.514 ( -0.140 0.782 1.622) 1.806 9.531 ( -0.431 -0.784 -0.160) 0.909 10.065 ( -0.063 6.126 -0.038) 6.126 10.135 ( 0.461 4.659 0.014) 4.681 10.357 ( -3.458 2.970 -0.874) 4.641 10.508 ( -6.292 -1.909 1.954) 6.859 10.835 ( -0.814 0.744 -7.152) 7.236 10.942 ( 1.349 -1.123 1.213) 2.134 11.044 ( -1.537 -1.181 1.989) 2.777 11.186 ( 3.829 0.261 -0.120) 3.840 11.248 ( 5.191 4.763 1.234) 7.152 11.346 ( 2.972 4.648 0.564) 5.546 11.636 ( -5.235 2.843 1.192) 6.076 11.653 ( -4.846 3.721 -0.486) 6.129 11.717 ( 1.256 -0.449 -3.268) 3.530 11.921 ( 1.316 -5.795 -2.790) 6.565 12.253 ( 6.494 1.435 0.492) 6.668 12.303 ( 5.409 0.843 6.727) 8.673 12.490 ( 0.518 6.129 -1.367) 6.300 12.747 ( -0.804 3.422 -2.295) 4.198 12.782 ( -2.240 -3.357 0.648) 4.087 12.922 ( -0.938 0.875 -3.366) 3.602 13.046 ( -1.223 -0.302 4.172) 4.358 13.059 ( -2.152 0.169 -1.724) 2.763 13.226 ( 6.474 1.494 3.247) 7.395 13.337 ( 3.122 -0.232 -2.148) 3.797 13.577 ( -1.418 -3.732 -2.956) 4.967 13.707 ( 0.583 -10.250 5.823) 11.803 15.975 ( -0.108 5.946 0.324) 5.956 16.088 ( 2.679 1.409 -0.221) 3.035 16.305 ( 2.991 -0.990 -0.014) 3.151 16.313 ( 2.695 -1.726 -0.099) 3.202 21.211 ( 1.668 1.950 -2.213) 3.388 21.261 ( 0.764 -0.352 -1.537) 1.752 21.565 ( 6.837 4.748 2.327) 8.643 21.705 ( 11.773 -0.300 0.951) 11.815 22.723 ( -3.147 2.918 1.341) 4.497 22.814 ( -1.905 -0.868 0.001) 2.094 22.974 ( -0.884 -1.081 -1.352) 1.943 23.016 ( 0.533 -3.257 2.302) 4.024 23.166 ( -1.767 9.321 -0.613) 9.507 23.348 ( 0.338 1.800 -1.844) 2.598 23.396 ( 0.001 -0.557 1.934) 2.013 23.494 ( -0.455 -5.702 -1.540) 5.924 23.680 ( -0.913 0.254 -0.536) 1.089 23.700 ( -1.417 0.025 0.129) 1.423 23.826 ( -0.085 2.046 1.654) 2.632 23.959 ( 1.489 -3.766 0.101) 4.051 24.178 ( -1.356 2.171 -6.873) 7.334 24.273 ( -1.779 -1.217 2.036) 2.965 24.539 ( 0.487 0.748 1.110) 1.425 24.625 ( 1.201 -3.049 1.245) 3.505 24.963 ( 0.333 3.884 -1.035) 4.033 25.014 ( 2.307 2.867 1.052) 3.828 25.156 ( 0.474 -1.853 -0.301) 1.937 25.187 ( -0.036 -3.600 -0.125) 3.603 25.461 ( -3.673 3.253 1.511) 5.134 25.498 ( -3.002 3.945 -1.372) 5.144 25.651 ( -7.539 -1.950 0.619) 7.812 25.884 ( -5.280 -10.816 0.129) 12.037 ======================= Grid point 106 (54/88) ======================= q-point: (-0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -7.078 22.578 -7.823) 24.921 0.966 ( 0.103 20.926 9.702) 23.066 1.345 ( -5.070 4.005 -8.815) 10.929 1.702 ( -1.170 -7.086 11.060) 13.187 1.769 ( -2.889 3.585 -5.675) 7.308 1.797 ( 0.981 1.424 0.131) 1.734 1.875 ( -9.133 -0.296 6.798) 11.389 1.946 ( 5.491 -4.837 -2.243) 7.654 2.071 ( -4.984 0.128 0.013) 4.986 2.161 ( -2.138 -12.600 -1.407) 12.857 2.383 ( -1.870 -1.873 2.259) 3.480 2.405 ( 3.888 -4.914 2.406) 6.712 2.521 ( 4.708 -5.132 -4.999) 8.573 2.660 ( -0.298 -1.970 -3.598) 4.113 2.669 ( -3.916 0.801 4.853) 6.287 2.728 ( 1.223 -0.432 1.342) 1.866 2.924 ( -1.195 -1.103 4.156) 4.462 2.954 ( -5.457 -2.696 -3.556) 7.050 2.995 ( -2.317 -4.959 0.734) 5.523 3.083 ( 1.898 2.356 -2.208) 3.746 3.144 ( -4.570 -0.120 -1.447) 4.795 3.256 ( 1.290 0.909 -3.377) 3.728 3.353 ( 0.988 -0.905 6.968) 7.096 3.366 ( -3.964 -0.110 -4.644) 6.107 3.477 ( 2.819 4.812 -7.759) 9.555 3.586 ( 0.027 3.234 0.806) 3.333 3.691 ( 0.690 -1.009 -1.694) 2.089 3.762 ( 0.380 -0.671 -2.428) 2.547 3.805 ( -0.171 -6.521 0.420) 6.536 3.917 ( -3.024 -6.560 -2.524) 7.651 3.920 ( -0.668 -2.527 1.432) 2.981 3.985 ( -2.542 -6.097 3.433) 7.445 4.125 ( 1.480 -0.665 2.215) 2.745 4.206 ( -0.380 3.605 6.484) 7.428 4.246 ( 3.287 2.732 -5.268) 6.784 4.381 ( 0.691 1.800 1.669) 2.550 4.466 ( -2.501 -6.725 3.319) 7.906 4.575 ( -1.782 -1.365 -1.786) 2.868 4.653 ( -3.889 5.201 3.172) 7.227 4.734 ( 0.558 -1.295 2.564) 2.926 4.839 ( 1.651 -2.545 -3.011) 4.274 5.028 ( -0.569 -4.584 -1.661) 4.909 5.129 ( -4.838 -6.232 5.953) 9.884 5.261 ( 1.197 -7.756 1.125) 7.928 5.656 ( 1.655 10.357 -2.323) 10.742 5.772 ( 3.605 7.211 -2.751) 8.518 5.871 ( -0.608 2.229 1.358) 2.680 6.078 ( 4.756 -5.547 -7.105) 10.192 6.416 ( 0.785 7.020 3.824) 8.032 6.525 ( 1.484 10.938 3.080) 11.460 6.607 ( 2.317 6.137 0.286) 6.566 6.709 ( 2.498 0.519 -3.049) 3.976 6.881 ( 1.512 -2.258 0.896) 2.861 6.929 ( 1.355 -3.961 0.265) 4.194 6.989 ( -0.062 -0.177 -0.478) 0.514 7.011 ( -0.883 -1.376 -1.937) 2.535 7.154 ( 0.624 0.149 0.500) 0.813 7.182 ( 0.254 -4.155 1.048) 4.292 7.412 ( 1.553 0.236 -1.756) 2.356 7.521 ( 0.510 4.569 -1.491) 4.833 7.724 ( -3.581 1.290 2.478) 4.542 7.919 ( 1.987 0.127 -3.581) 4.097 8.021 ( -1.990 -1.335 -0.247) 2.409 8.067 ( 0.711 -0.990 0.538) 1.332 8.188 ( 0.851 1.170 3.988) 4.243 8.326 ( 4.129 -3.143 1.843) 5.507 8.355 ( 1.850 -0.986 -1.361) 2.499 8.440 ( 2.896 1.287 0.457) 3.201 8.617 ( 1.109 -3.131 1.349) 3.585 8.658 ( -1.475 -0.304 -0.958) 1.785 8.776 ( 1.223 -0.741 -1.227) 1.884 8.892 ( 0.214 -3.173 -2.148) 3.838 9.520 ( -0.067 0.482 0.373) 0.613 9.528 ( -0.033 0.354 0.560) 0.663 10.070 ( 0.636 5.343 0.111) 5.382 10.133 ( -0.699 4.283 0.256) 4.347 10.306 ( -1.381 2.487 -1.097) 3.049 10.426 ( -4.404 -1.756 1.653) 5.021 10.787 ( 0.950 -0.681 -5.406) 5.531 10.946 ( -1.136 -6.635 -0.568) 6.755 11.055 ( 0.679 1.305 3.454) 3.755 11.249 ( 2.098 -5.151 0.730) 5.610 11.367 ( 3.066 8.484 2.881) 9.470 11.400 ( 6.799 7.855 -3.799) 11.061 11.550 ( -4.368 3.862 0.079) 5.830 11.590 ( -1.601 3.215 -0.891) 3.700 11.737 ( 2.892 -0.728 -1.888) 3.530 11.909 ( -0.475 -6.873 -3.013) 7.519 12.359 ( 4.369 1.045 0.266) 4.500 12.417 ( 2.546 -1.512 2.884) 4.133 12.508 ( 1.207 6.345 0.901) 6.521 12.682 ( -2.353 2.957 -5.251) 6.469 12.758 ( -1.364 -2.570 1.450) 3.251 12.883 ( -0.645 -2.617 -4.602) 5.333 13.027 ( 0.655 2.629 0.611) 2.778 13.079 ( 1.301 -0.056 1.842) 2.256 13.340 ( 3.346 4.111 1.155) 5.425 13.393 ( 1.943 2.130 3.829) 4.793 13.536 ( 0.253 -5.118 -2.383) 5.651 13.720 ( -3.601 -8.999 3.816) 10.417 15.985 ( 0.387 6.435 1.694) 6.666 16.135 ( 2.735 -0.099 -1.499) 3.120 16.350 ( 1.995 -0.851 -0.042) 2.170 16.355 ( 1.959 -1.302 0.029) 2.353 21.248 ( 2.289 1.507 1.879) 3.323 21.285 ( 1.293 -0.239 3.197) 3.457 21.677 ( 4.667 6.624 -0.399) 8.112 21.907 ( 11.080 -2.922 -4.004) 12.138 22.682 ( -2.535 3.444 1.638) 4.580 22.786 ( -1.217 -1.317 -0.250) 1.810 22.952 ( -0.250 -0.160 -1.087) 1.127 23.047 ( -0.766 -4.818 3.800) 6.184 23.157 ( 3.511 6.855 -2.607) 8.131 23.313 ( -1.629 -0.122 -6.668) 6.865 23.413 ( -0.024 -0.516 2.575) 2.626 23.448 ( -3.720 -3.385 1.112) 5.150 23.650 ( -1.339 1.605 0.498) 2.149 23.693 ( 0.264 -0.396 0.280) 0.552 23.852 ( 0.409 1.349 2.234) 2.642 23.939 ( -1.367 -2.498 -4.084) 4.978 24.147 ( 1.636 0.939 -0.242) 1.902 24.238 ( -3.085 -3.066 2.098) 4.829 24.534 ( -2.368 1.608 2.063) 3.528 24.657 ( 2.012 -4.018 -1.317) 4.682 24.981 ( 2.364 3.882 -0.437) 4.566 25.069 ( 2.265 1.160 0.077) 2.546 25.153 ( 0.109 -1.577 -0.649) 1.708 25.196 ( 0.377 -2.195 0.972) 2.431 25.407 ( -3.286 3.242 1.130) 4.753 25.445 ( -1.862 3.971 -0.808) 4.460 25.535 ( -5.509 0.974 0.880) 5.663 25.767 ( -6.675 -8.537 -2.536) 11.129 ======================= Grid point 107 (55/88) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -1.162 -10.396 -5.525) 11.830 1.108 ( -1.162 10.396 -5.525) 11.830 1.622 ( 3.072 -20.965 4.032) 21.569 1.622 ( 3.072 20.965 4.032) 21.569 1.745 ( -2.736 -7.136 2.754) 8.124 1.745 ( -2.736 7.136 2.754) 8.124 1.844 ( 3.807 -6.438 1.271) 7.587 1.844 ( 3.807 6.438 1.271) 7.587 2.018 ( -0.288 -2.398 -0.272) 2.430 2.018 ( -0.288 2.398 -0.272) 2.430 2.440 ( -1.734 -8.686 -0.676) 8.883 2.440 ( -1.734 8.686 -0.676) 8.883 2.551 ( 0.796 -2.695 -1.602) 3.235 2.551 ( 0.796 2.695 -1.602) 3.235 2.747 ( 2.191 -3.777 4.467) 6.247 2.747 ( 2.191 3.777 4.467) 6.247 2.789 ( -0.837 -4.172 -3.026) 5.222 2.789 ( -0.837 4.172 -3.026) 5.222 3.023 ( -0.688 -5.685 3.472) 6.696 3.023 ( -0.688 5.685 3.472) 6.696 3.134 ( -5.017 -7.906 -1.496) 9.482 3.134 ( -5.017 7.906 -1.496) 9.482 3.325 ( 1.211 -1.123 -7.038) 7.229 3.325 ( 1.211 1.123 -7.038) 7.229 3.609 ( 2.885 -4.341 0.818) 5.276 3.609 ( 2.885 4.341 0.818) 5.276 3.697 ( -1.964 -3.854 -0.883) 4.414 3.697 ( -1.964 3.854 -0.883) 4.414 3.760 ( 0.973 -6.391 0.432) 6.479 3.760 ( 0.973 6.391 0.432) 6.479 3.912 ( 0.883 -2.171 1.247) 2.655 3.912 ( 0.883 2.171 1.247) 2.655 4.229 ( -0.391 -3.660 1.461) 3.960 4.229 ( -0.391 3.660 1.461) 3.960 4.333 ( 0.115 -2.107 -3.483) 4.072 4.333 ( 0.115 2.107 -3.483) 4.072 4.525 ( 1.835 -5.170 2.700) 6.115 4.525 ( 1.835 5.170 2.700) 6.115 4.698 ( 0.501 -4.902 -0.653) 4.970 4.698 ( 0.501 4.902 -0.653) 4.970 4.867 ( -3.604 -3.687 3.535) 6.251 4.867 ( -3.604 3.687 3.535) 6.251 5.120 ( 0.246 -6.320 1.707) 6.551 5.120 ( 0.246 6.320 1.707) 6.551 5.795 ( -1.644 -3.751 0.764) 4.166 5.795 ( -1.644 3.751 0.764) 4.166 5.989 ( 3.741 -6.359 -6.527) 9.850 5.989 ( 3.741 6.359 -6.527) 9.850 6.580 ( -1.872 -5.015 3.296) 6.286 6.580 ( -1.872 5.015 3.296) 6.286 6.729 ( 0.531 -7.020 1.796) 7.265 6.729 ( 0.531 7.020 1.796) 7.265 6.878 ( 0.188 -3.315 -2.128) 3.944 6.878 ( 0.188 3.315 -2.128) 3.944 7.012 ( -0.028 -6.488 -0.027) 6.488 7.012 ( -0.028 6.488 -0.027) 6.488 7.069 ( -0.592 -6.135 -2.017) 6.485 7.069 ( -0.592 6.135 -2.017) 6.485 7.545 ( 0.875 -6.492 2.366) 6.965 7.545 ( 0.875 6.492 2.366) 6.965 7.817 ( 0.827 -8.416 -1.973) 8.684 7.817 ( 0.827 8.416 -1.973) 8.684 8.012 ( -0.364 -3.461 -1.028) 3.629 8.012 ( -0.364 3.461 -1.028) 3.629 8.269 ( -2.243 -2.918 2.965) 4.726 8.269 ( -2.243 2.918 2.965) 4.726 8.475 ( 0.317 -3.524 0.610) 3.591 8.475 ( 0.317 3.524 0.610) 3.591 8.591 ( 0.261 -2.814 0.294) 2.841 8.591 ( 0.261 2.814 0.294) 2.841 8.806 ( 0.936 -3.078 -3.068) 4.445 8.806 ( 0.936 3.078 -3.068) 4.445 9.532 ( -0.251 -0.517 0.971) 1.129 9.532 ( -0.251 0.517 0.971) 1.129 10.143 ( -0.287 -1.362 -0.211) 1.408 10.143 ( -0.287 1.362 -0.211) 1.408 10.359 ( -0.074 -2.086 2.135) 2.986 10.359 ( -0.074 2.086 2.135) 2.986 10.792 ( 1.151 -4.194 -5.063) 6.674 10.792 ( 1.151 4.194 -5.063) 6.674 11.153 ( -1.021 -4.367 2.609) 5.189 11.153 ( -1.021 4.367 2.609) 5.189 11.507 ( 0.721 -1.494 1.376) 2.156 11.507 ( 0.721 1.494 1.376) 2.156 11.574 ( -1.622 -4.154 -0.740) 4.521 11.574 ( -1.622 4.154 -0.740) 4.521 11.792 ( 2.392 -2.158 -2.976) 4.386 11.792 ( 2.392 2.158 -2.976) 4.386 12.411 ( -0.966 -2.605 0.223) 2.787 12.411 ( -0.966 2.605 0.223) 2.787 12.610 ( -1.277 -3.886 -1.609) 4.396 12.610 ( -1.277 3.886 -1.609) 4.396 12.798 ( 1.973 -4.162 -1.062) 4.727 12.798 ( 1.973 4.162 -1.062) 4.727 13.081 ( 0.778 -1.859 -0.458) 2.067 13.081 ( 0.778 1.859 -0.458) 2.067 13.438 ( -1.838 -0.881 -0.243) 2.052 13.438 ( -1.838 0.881 -0.243) 2.052 13.546 ( -0.255 -2.980 4.094) 5.070 13.546 ( -0.255 2.980 4.094) 5.070 16.104 ( 0.032 -3.602 -0.107) 3.603 16.104 ( 0.032 3.602 -0.107) 3.603 16.360 ( -0.022 -0.041 -0.112) 0.121 16.360 ( -0.022 0.041 -0.112) 0.121 21.326 ( 1.080 -1.009 4.571) 4.804 21.326 ( 1.080 1.009 4.571) 4.804 21.842 ( -0.859 -6.805 -5.059) 8.523 21.842 ( -0.859 6.805 -5.059) 8.523 22.725 ( -0.663 -2.542 0.637) 2.703 22.725 ( -0.663 2.542 0.637) 2.703 22.977 ( -0.509 -2.289 2.078) 3.133 22.977 ( -0.509 2.289 2.078) 3.133 23.227 ( 1.286 -1.604 -5.505) 5.876 23.227 ( 1.286 1.604 -5.505) 5.876 23.420 ( -0.084 -1.350 2.108) 2.505 23.420 ( -0.084 1.350 2.108) 2.505 23.693 ( 0.468 -0.815 1.573) 1.832 23.693 ( 0.468 0.815 1.573) 1.832 23.859 ( -1.513 -2.422 -2.004) 3.489 23.859 ( -1.513 2.422 -2.004) 3.489 24.211 ( 2.303 -0.915 3.654) 4.415 24.211 ( 2.303 0.915 3.654) 4.415 24.567 ( -0.786 -4.304 -1.384) 4.589 24.567 ( -0.786 4.304 -1.384) 4.589 25.051 ( 0.184 -0.234 -0.349) 0.459 25.051 ( 0.184 0.234 -0.349) 0.459 25.176 ( -0.408 -1.292 0.298) 1.387 25.176 ( -0.408 1.292 0.298) 1.387 25.441 ( -0.414 -2.443 1.380) 2.836 25.441 ( -0.414 2.443 1.380) 2.836 25.567 ( 0.110 -5.407 -2.040) 5.781 25.567 ( 0.110 5.407 -2.040) 5.781 ======================= Grid point 109 (56/88) ======================= q-point: ( 0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 5.937 -2.986 -1.815) 6.889 1.129 ( 5.937 2.986 -1.815) 6.889 1.558 ( -4.991 -10.760 0.935) 11.898 1.558 ( -4.991 10.760 0.935) 11.898 1.804 ( 3.561 -11.564 2.430) 12.342 1.804 ( 3.561 11.564 2.430) 12.342 1.914 ( -0.091 -6.014 -0.119) 6.016 1.914 ( -0.091 6.014 -0.119) 6.016 2.068 ( 6.291 -2.614 -3.185) 7.520 2.068 ( 6.291 2.614 -3.185) 7.520 2.386 ( -2.774 -7.866 1.492) 8.473 2.386 ( -2.774 7.866 1.492) 8.473 2.560 ( 1.422 -4.760 2.820) 5.712 2.560 ( 1.422 4.760 2.820) 5.712 2.758 ( -1.803 -1.443 -0.637) 2.396 2.758 ( -1.803 1.443 -0.637) 2.396 2.842 ( 2.422 -2.570 -0.186) 3.536 2.842 ( 2.422 2.570 -0.186) 3.536 3.034 ( -0.398 -4.401 -2.327) 4.994 3.034 ( -0.398 4.401 -2.327) 4.994 3.079 ( 2.336 -9.863 1.683) 10.275 3.079 ( 2.336 9.863 1.683) 10.275 3.314 ( 3.255 -3.925 -2.717) 5.778 3.314 ( 3.255 3.925 -2.717) 5.778 3.629 ( 0.145 -8.843 -2.982) 9.333 3.629 ( 0.145 8.843 -2.982) 9.333 3.702 ( 1.321 -1.193 2.390) 2.981 3.702 ( 1.321 1.193 2.390) 2.981 3.797 ( 2.972 -6.538 -0.263) 7.187 3.797 ( 2.972 6.538 -0.263) 7.187 3.913 ( -1.409 -4.391 -0.175) 4.615 3.913 ( -1.409 4.391 -0.175) 4.615 4.197 ( -3.910 -4.496 1.571) 6.162 4.197 ( -3.910 4.496 1.571) 6.162 4.344 ( 2.567 -2.103 -0.647) 3.381 4.344 ( 2.567 2.103 -0.647) 3.381 4.542 ( -0.688 -5.471 -0.643) 5.552 4.542 ( -0.688 5.471 -0.643) 5.552 4.729 ( 2.993 -5.551 0.397) 6.319 4.729 ( 2.993 5.551 0.397) 6.319 4.843 ( -1.563 -1.373 2.741) 3.441 4.843 ( -1.563 1.373 2.741) 3.441 5.145 ( 0.714 -5.202 1.829) 5.560 5.145 ( 0.714 5.202 1.829) 5.560 5.766 ( -2.017 -2.676 0.011) 3.351 5.766 ( -2.017 2.676 0.011) 3.351 5.988 ( 0.818 -6.341 -4.794) 7.991 5.988 ( 0.818 6.341 -4.794) 7.991 6.536 ( -4.850 -3.699 1.798) 6.359 6.536 ( -4.850 3.699 1.798) 6.359 6.750 ( -0.206 -8.509 1.899) 8.721 6.750 ( -0.206 8.509 1.899) 8.721 6.847 ( -1.607 -4.011 -1.009) 4.437 6.847 ( -1.607 4.011 -1.009) 4.437 7.015 ( -0.934 -4.896 -0.917) 5.068 7.015 ( -0.934 4.896 -0.917) 5.068 7.056 ( 1.603 -5.395 -0.850) 5.692 7.056 ( 1.603 5.395 -0.850) 5.692 7.569 ( -0.166 -8.457 2.021) 8.696 7.569 ( -0.166 8.457 2.021) 8.696 7.826 ( 2.012 -7.971 -3.304) 8.860 7.826 ( 2.012 7.971 -3.304) 8.860 8.001 ( -0.275 -2.922 -0.228) 2.944 8.001 ( -0.275 2.922 -0.228) 2.944 8.218 ( -5.243 -2.304 3.640) 6.786 8.218 ( -5.243 2.304 3.640) 6.786 8.434 ( -5.081 -4.172 -0.643) 6.605 8.434 ( -5.081 4.172 -0.643) 6.605 8.605 ( 0.773 -4.788 1.149) 4.984 8.605 ( 0.773 4.788 1.149) 4.984 8.820 ( 2.622 -3.276 -2.695) 4.987 8.820 ( 2.622 3.276 -2.695) 4.987 9.529 ( -0.732 -0.991 0.875) 1.511 9.529 ( -0.732 0.991 0.875) 1.511 10.144 ( 0.486 -1.990 0.015) 2.049 10.144 ( 0.486 1.990 0.015) 2.049 10.393 ( 2.249 -2.097 1.499) 3.421 10.393 ( 2.249 2.097 1.499) 3.421 10.792 ( 2.682 -4.553 -4.503) 6.943 10.792 ( 2.682 4.553 -4.503) 6.943 11.142 ( -1.862 -2.122 2.527) 3.789 11.142 ( -1.862 2.122 2.527) 3.789 11.485 ( -5.624 -5.760 1.068) 8.121 11.485 ( -5.624 5.760 1.068) 8.121 11.575 ( 3.676 -1.520 -0.126) 3.980 11.575 ( 3.676 1.520 -0.126) 3.980 11.808 ( 1.781 -1.744 -3.621) 4.396 11.808 ( 1.781 1.744 -3.621) 4.396 12.353 ( -5.662 -5.499 0.976) 7.953 12.353 ( -5.662 5.499 0.976) 7.953 12.614 ( 2.355 -4.446 0.336) 5.043 12.614 ( 2.355 4.446 0.336) 5.043 12.811 ( 0.790 -4.759 -2.758) 5.556 12.811 ( 0.790 4.759 -2.758) 5.556 13.095 ( 1.398 -3.402 -0.266) 3.688 13.095 ( 1.398 3.402 -0.266) 3.688 13.365 ( -6.177 -5.984 1.016) 8.660 13.365 ( -6.177 5.984 1.016) 8.660 13.579 ( 0.586 -5.174 2.840) 5.931 13.579 ( 0.586 5.174 2.840) 5.931 16.093 ( -1.037 -1.956 -0.083) 2.216 16.093 ( -1.037 1.956 -0.083) 2.216 16.339 ( -2.060 -0.118 -0.039) 2.064 16.339 ( -2.060 0.118 -0.039) 2.064 21.366 ( -0.317 -0.556 3.104) 3.170 21.366 ( -0.317 0.556 3.104) 3.170 21.720 ( -8.039 -3.633 -3.342) 9.434 21.720 ( -8.039 3.633 -3.342) 9.434 22.740 ( 1.612 -1.843 0.824) 2.583 22.740 ( 1.612 1.843 0.824) 2.583 22.997 ( 0.921 -2.064 2.628) 3.466 22.997 ( 0.921 2.064 2.628) 3.466 23.208 ( 0.725 -4.096 -5.283) 6.724 23.208 ( 0.725 4.096 -5.283) 6.724 23.447 ( 1.135 -3.299 1.275) 3.715 23.447 ( 1.135 3.299 1.275) 3.715 23.701 ( -0.592 -0.351 0.754) 1.021 23.701 ( -0.592 0.351 0.754) 1.021 23.833 ( 0.151 -1.806 -0.406) 1.857 23.833 ( 0.151 1.806 -0.406) 1.857 24.281 ( 2.720 -2.629 0.651) 3.838 24.281 ( 2.720 2.629 0.651) 3.838 24.547 ( -0.578 -3.967 -0.135) 4.011 24.547 ( -0.578 3.967 -0.135) 4.011 25.053 ( 0.358 -2.931 -0.636) 3.020 25.053 ( 0.358 2.931 -0.636) 3.020 25.149 ( -2.359 -2.656 0.645) 3.610 25.149 ( -2.359 2.656 0.645) 3.610 25.464 ( 1.841 -3.039 1.172) 3.741 25.464 ( 1.841 3.039 1.172) 3.741 25.597 ( 4.485 -5.859 -1.416) 7.513 25.597 ( 4.485 5.859 -1.416) 7.513 ======================= Grid point 111 (57/88) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 6.551 -3.449 3.558) 8.214 1.253 ( 6.551 3.449 3.558) 8.214 1.573 ( 7.408 -7.992 -2.847) 11.262 1.573 ( 7.408 7.992 -2.847) 11.262 1.803 ( -5.402 -8.022 -1.431) 9.776 1.803 ( -5.402 8.022 -1.431) 9.776 1.913 ( 5.094 -6.719 -2.336) 8.749 1.913 ( 5.094 6.719 -2.336) 8.749 2.157 ( 6.396 -4.367 -4.916) 9.173 2.157 ( 6.396 4.367 -4.916) 9.173 2.352 ( -3.295 -2.592 2.885) 5.090 2.352 ( -3.295 2.592 2.885) 5.090 2.621 ( 0.136 -0.906 3.588) 3.703 2.621 ( 0.136 0.906 3.588) 3.703 2.693 ( -5.139 -4.667 1.658) 7.137 2.693 ( -5.139 4.667 1.658) 7.137 2.850 ( -0.521 -2.434 0.563) 2.552 2.850 ( -0.521 2.434 0.563) 2.552 3.016 ( 2.583 -2.618 -1.882) 4.132 3.016 ( 2.583 2.618 -1.882) 4.132 3.177 ( 3.716 -3.409 1.602) 5.292 3.177 ( 3.716 3.409 1.602) 5.292 3.409 ( 7.091 -10.942 -1.708) 13.150 3.409 ( 7.091 10.942 -1.708) 13.150 3.614 ( 1.887 -8.260 -2.043) 8.715 3.614 ( 1.887 8.260 -2.043) 8.715 3.751 ( 1.555 -4.394 2.132) 5.126 3.751 ( 1.555 4.394 2.132) 5.126 3.838 ( 1.528 -3.172 -1.669) 3.896 3.838 ( 1.528 3.172 -1.669) 3.896 3.880 ( 0.277 -4.503 -0.161) 4.514 3.880 ( 0.277 4.503 -0.161) 4.514 4.147 ( -2.595 -6.122 1.080) 6.736 4.147 ( -2.595 6.122 1.080) 6.736 4.360 ( -2.897 -1.996 3.137) 4.713 4.360 ( -2.897 1.996 3.137) 4.713 4.536 ( 3.242 -8.381 -4.797) 10.186 4.536 ( 3.242 8.381 -4.797) 10.186 4.777 ( 0.594 -2.640 2.503) 3.686 4.777 ( 0.594 2.640 2.503) 3.686 4.869 ( 3.827 -3.887 -0.299) 5.463 4.869 ( 3.827 3.887 -0.299) 5.463 5.164 ( -0.047 -3.990 1.621) 4.306 5.164 ( -0.047 3.990 1.621) 4.306 5.725 ( -2.535 -2.521 0.150) 3.579 5.725 ( -2.535 2.521 0.150) 3.579 5.945 ( -2.812 -5.934 -1.980) 6.859 5.945 ( -2.812 5.934 -1.980) 6.859 6.454 ( -4.546 -4.966 -0.241) 6.737 6.454 ( -4.546 4.966 -0.241) 6.737 6.737 ( -2.357 -8.176 0.674) 8.536 6.737 ( -2.357 8.176 0.674) 8.536 6.818 ( -1.297 -4.877 0.029) 5.046 6.818 ( -1.297 4.877 0.029) 5.046 6.975 ( -2.522 -5.037 -0.437) 5.650 6.975 ( -2.522 5.037 -0.437) 5.650 7.098 ( 2.722 -7.867 0.347) 8.332 7.098 ( 2.722 7.867 0.347) 8.332 7.565 ( -1.038 -9.721 -0.086) 9.777 7.565 ( -1.038 9.721 -0.086) 9.777 7.824 ( -0.007 -5.959 -2.955) 6.651 7.824 ( -0.007 5.959 -2.955) 6.651 7.998 ( -0.399 -3.663 1.104) 3.847 7.998 ( -0.399 3.663 1.104) 3.847 8.172 ( -2.311 -1.352 2.506) 3.667 8.172 ( -2.311 1.352 2.506) 3.667 8.308 ( -7.781 -4.425 0.162) 8.953 8.308 ( -7.781 4.425 0.162) 8.953 8.633 ( 1.341 -3.758 1.115) 4.143 8.633 ( 1.341 3.758 1.115) 4.143 8.838 ( 1.198 -3.990 -2.304) 4.761 8.838 ( 1.198 3.990 -2.304) 4.761 9.523 ( -0.612 -1.711 0.853) 2.008 9.523 ( -0.612 1.711 0.853) 2.008 10.154 ( 0.324 -2.557 0.111) 2.579 10.154 ( 0.324 2.557 0.111) 2.579 10.457 ( 4.139 -5.530 0.329) 6.915 10.457 ( 4.139 5.530 0.329) 6.915 10.815 ( 2.866 -6.345 -2.813) 7.509 10.815 ( 2.866 6.345 -2.813) 7.509 11.135 ( -0.976 -1.497 1.849) 2.571 11.135 ( -0.976 1.497 1.849) 2.571 11.378 ( -6.062 -6.119 0.623) 8.636 11.378 ( -6.062 6.119 0.623) 8.636 11.656 ( 4.706 -1.071 0.257) 4.833 11.656 ( 4.706 1.071 0.257) 4.833 11.804 ( 1.213 -2.575 -3.538) 4.541 11.804 ( 1.213 2.575 -3.538) 4.541 12.250 ( -6.836 -6.703 2.465) 9.886 12.250 ( -6.836 6.703 2.465) 9.886 12.684 ( 3.873 -4.648 1.922) 6.348 12.684 ( 3.873 4.648 1.922) 6.348 12.786 ( -0.351 -5.937 -3.993) 7.163 12.786 ( -0.351 5.937 -3.993) 7.163 13.127 ( 2.362 -6.424 -1.129) 6.937 13.127 ( 2.362 6.424 -1.129) 6.937 13.249 ( -7.621 -5.228 2.177) 9.495 13.249 ( -7.621 5.228 2.177) 9.495 13.600 ( -0.297 -6.936 1.680) 7.142 13.600 ( -0.297 6.936 1.680) 7.142 16.071 ( -1.205 -0.669 -0.055) 1.379 16.071 ( -1.205 0.669 -0.055) 1.379 16.293 ( -2.967 -0.024 -0.010) 2.967 16.293 ( -2.967 0.024 -0.010) 2.967 21.339 ( -3.116 -1.518 -3.101) 4.651 21.339 ( -3.116 1.518 -3.101) 4.651 21.569 ( -7.428 -1.396 3.017) 8.138 21.569 ( -7.428 1.396 3.017) 8.138 22.785 ( 2.546 -1.790 0.855) 3.228 22.785 ( 2.546 1.790 0.855) 3.228 23.032 ( 0.484 -3.089 1.310) 3.390 23.032 ( 0.484 3.089 1.310) 3.390 23.190 ( 1.184 -3.551 -2.295) 4.391 23.190 ( 1.184 3.551 -2.295) 4.391 23.454 ( -0.823 -3.921 -0.357) 4.022 23.454 ( -0.823 3.921 -0.357) 4.022 23.700 ( 0.515 -0.599 0.037) 0.791 23.700 ( 0.515 0.599 0.037) 0.791 23.853 ( 1.282 -1.022 1.117) 1.984 23.853 ( 1.282 1.022 1.117) 1.984 24.302 ( 1.249 -6.544 -3.314) 7.440 24.302 ( 1.249 6.544 -3.314) 7.440 24.542 ( -1.119 -3.257 2.078) 4.023 24.542 ( -1.119 3.257 2.078) 4.023 25.043 ( -0.994 -3.868 -0.468) 4.021 25.043 ( -0.994 3.868 -0.468) 4.021 25.129 ( -0.193 -4.258 0.425) 4.283 25.129 ( -0.193 4.258 0.425) 4.283 25.518 ( 3.180 -4.281 0.897) 5.408 25.518 ( 3.180 4.281 0.897) 5.408 25.686 ( 5.819 -6.880 -0.484) 9.024 25.686 ( 5.819 6.880 -0.484) 9.024 ======================= Grid point 113 (58/88) ======================= q-point: ( 0.30 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 6.203 -8.067 4.857) 11.276 1.403 ( 6.203 8.067 4.857) 11.276 1.626 ( 0.396 -4.419 -8.016) 9.162 1.626 ( 0.396 4.419 -8.016) 9.162 1.815 ( 10.596 -6.771 -1.498) 12.664 1.815 ( 10.596 6.771 -1.498) 12.664 1.998 ( 5.680 -6.341 -0.585) 8.533 1.998 ( 5.680 6.341 -0.585) 8.533 2.218 ( 4.525 -2.589 -3.977) 6.557 2.218 ( 4.525 2.589 -3.977) 6.557 2.322 ( -3.719 -1.616 4.273) 5.891 2.322 ( -3.719 1.616 4.273) 5.891 2.527 ( -7.212 -4.011 0.622) 8.276 2.527 ( -7.212 4.011 0.622) 8.276 2.685 ( -1.596 -8.850 3.542) 9.665 2.685 ( -1.596 8.850 3.542) 9.665 2.852 ( 0.625 -4.468 0.411) 4.530 2.852 ( 0.625 4.468 0.411) 4.530 3.056 ( 0.224 -0.738 -0.202) 0.798 3.056 ( 0.224 0.738 -0.202) 0.798 3.229 ( 1.929 -0.998 1.892) 2.880 3.229 ( 1.929 0.998 1.892) 2.880 3.431 ( -2.567 -7.618 -0.626) 8.063 3.431 ( -2.567 7.618 -0.626) 8.063 3.665 ( 0.196 -4.478 -3.288) 5.559 3.665 ( 0.196 4.478 -3.288) 5.559 3.761 ( 3.468 -0.541 -1.342) 3.758 3.761 ( 3.468 0.541 -1.342) 3.758 3.892 ( 5.264 -5.691 -0.343) 7.760 3.892 ( 5.264 5.691 -0.343) 7.760 3.953 ( 6.095 -2.150 1.870) 6.728 3.953 ( 6.095 2.150 1.870) 6.728 4.124 ( -0.503 -6.945 0.843) 7.014 4.124 ( -0.503 6.945 0.843) 7.014 4.310 ( -3.089 -1.753 0.899) 3.664 4.310 ( -3.089 1.753 0.899) 3.664 4.551 ( 0.322 -9.386 -2.590) 9.742 4.551 ( 0.322 9.386 -2.590) 9.742 4.822 ( 3.714 -3.340 1.884) 5.338 4.822 ( 3.714 3.340 1.884) 5.338 4.954 ( 5.865 -1.946 -1.154) 6.286 4.954 ( 5.865 1.946 -1.154) 6.286 5.167 ( -0.438 -3.301 0.573) 3.379 5.167 ( -0.438 3.301 0.573) 3.379 5.682 ( -3.068 -4.693 1.511) 5.806 5.682 ( -3.068 4.693 1.511) 5.806 5.857 ( -6.170 -6.000 -0.270) 8.611 5.857 ( -6.170 6.000 -0.270) 8.611 6.385 ( -2.574 -4.339 -0.769) 5.103 6.385 ( -2.574 4.339 -0.769) 5.103 6.692 ( -2.570 -7.973 -0.085) 8.378 6.692 ( -2.570 7.973 -0.085) 8.378 6.786 ( -2.580 -5.859 -0.384) 6.414 6.786 ( -2.580 5.859 -0.384) 6.414 6.932 ( -1.394 -4.561 -0.365) 4.784 6.932 ( -1.394 4.561 -0.365) 4.784 7.148 ( 1.862 -7.987 1.735) 8.383 7.148 ( 1.862 7.987 1.735) 8.383 7.539 ( -0.594 -10.143 -2.470) 10.457 7.539 ( -0.594 10.143 -2.470) 10.457 7.775 ( -3.742 -2.650 -0.689) 4.636 7.775 ( -3.742 2.650 -0.689) 4.636 8.012 ( 0.501 -3.853 1.897) 4.324 8.012 ( 0.501 3.853 1.897) 4.324 8.111 ( -5.723 -4.868 -1.435) 7.649 8.111 ( -5.723 4.868 -1.435) 7.649 8.240 ( -0.246 -2.388 2.881) 3.750 8.240 ( -0.246 2.388 2.881) 3.750 8.662 ( 0.784 -2.768 1.065) 3.068 8.662 ( 0.784 2.768 1.065) 3.068 8.827 ( -0.115 -4.353 -2.525) 5.033 8.827 ( -0.115 4.353 -2.525) 5.033 9.522 ( -0.342 -2.151 0.960) 2.380 9.522 ( -0.342 2.151 0.960) 2.380 10.154 ( -0.264 -1.909 -0.043) 1.927 10.154 ( -0.264 1.909 -0.043) 1.927 10.540 ( 5.005 -6.338 -0.021) 8.076 10.540 ( 5.005 6.338 -0.021) 8.076 10.843 ( 1.819 -5.735 -1.325) 6.160 10.843 ( 1.819 5.735 -1.325) 6.160 11.114 ( -2.761 -3.292 0.877) 4.385 11.114 ( -2.761 3.292 0.877) 4.385 11.314 ( -1.131 -4.486 0.011) 4.627 11.314 ( -1.131 4.486 0.011) 4.627 11.720 ( 2.557 -2.309 -1.308) 3.685 11.720 ( 2.557 2.309 -1.308) 3.685 11.820 ( 2.735 -1.138 -0.624) 3.028 11.820 ( 2.735 1.138 -0.624) 3.028 12.158 ( -5.675 -5.772 2.516) 8.476 12.158 ( -5.675 5.772 2.516) 8.476 12.725 ( 0.094 -4.922 -3.012) 5.771 12.725 ( 0.094 4.922 -3.012) 5.771 12.785 ( 2.123 -3.908 1.635) 4.738 12.785 ( 2.123 3.908 1.635) 4.738 13.105 ( -4.698 -5.476 -0.436) 7.228 13.105 ( -4.698 5.476 -0.436) 7.228 13.195 ( 1.018 -3.121 1.175) 3.487 13.195 ( 1.018 3.121 1.175) 3.487 13.590 ( -1.567 -6.231 0.407) 6.438 13.590 ( -1.567 6.231 0.407) 6.438 16.054 ( -0.651 -0.480 -0.021) 0.809 16.054 ( -0.651 0.480 -0.021) 0.809 16.240 ( -2.808 -0.276 -0.054) 2.822 16.240 ( -2.808 0.276 -0.054) 2.822 21.237 ( -4.039 -2.069 -3.724) 5.870 21.237 ( -4.039 2.069 -3.724) 5.870 21.500 ( -4.252 -2.023 3.574) 5.912 21.500 ( -4.252 2.023 3.574) 5.912 22.834 ( 2.214 -1.980 0.416) 2.999 22.834 ( 2.214 1.980 0.416) 2.999 23.023 ( -0.708 -2.358 -1.925) 3.125 23.023 ( -0.708 2.358 -1.925) 3.125 23.220 ( 1.161 -1.040 2.869) 3.265 23.220 ( 1.161 1.040 2.869) 3.265 23.431 ( -0.590 -4.353 -1.027) 4.512 23.431 ( -0.590 4.353 -1.027) 4.512 23.715 ( 0.817 -1.103 0.257) 1.396 23.715 ( 0.817 1.103 0.257) 1.396 23.875 ( 0.340 -1.896 0.304) 1.951 23.875 ( 0.340 1.896 0.304) 1.951 24.298 ( 1.285 -9.032 -3.021) 9.610 24.298 ( 1.285 9.032 -3.021) 9.610 24.528 ( -2.071 -3.709 1.717) 4.582 24.528 ( -2.071 3.709 1.717) 4.582 25.027 ( -0.442 -3.957 0.177) 3.985 25.027 ( -0.442 3.957 0.177) 3.985 25.135 ( 0.431 -4.832 -0.331) 4.862 25.135 ( 0.431 4.832 -0.331) 4.862 25.581 ( 3.080 -5.680 0.657) 6.494 25.581 ( 3.080 5.680 0.657) 6.494 25.780 ( 4.843 -7.225 -0.117) 8.698 25.780 ( 4.843 7.225 -0.117) 8.698 ======================= Grid point 115 (59/88) ======================= q-point: ( 0.40 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 3.541 -5.006 -0.175) 6.134 1.499 ( 3.541 5.006 -0.175) 6.134 1.630 ( 3.290 -4.149 -0.506) 5.319 1.630 ( 3.290 4.149 -0.506) 5.319 1.968 ( 6.045 -4.937 -2.717) 8.264 1.968 ( 6.045 4.937 -2.717) 8.264 2.092 ( 2.660 -7.862 0.082) 8.300 2.092 ( 2.660 7.862 0.082) 8.300 2.258 ( 0.237 -5.037 5.623) 7.553 2.258 ( 0.237 5.037 5.623) 7.553 2.311 ( 4.431 -3.225 -2.364) 5.968 2.311 ( 4.431 3.225 -2.364) 5.968 2.454 ( -2.171 -2.720 0.436) 3.508 2.454 ( -2.171 2.720 0.436) 3.508 2.645 ( -5.281 -6.017 2.696) 8.448 2.645 ( -5.281 6.017 2.696) 8.448 2.879 ( 2.190 -5.908 -1.530) 6.484 2.879 ( 2.190 5.908 -1.530) 6.484 3.010 ( -3.546 -3.499 -1.349) 5.161 3.010 ( -3.546 3.499 -1.349) 5.161 3.251 ( -2.156 -3.208 2.816) 4.782 3.251 ( -2.156 3.208 2.816) 4.782 3.389 ( -1.431 -4.104 1.151) 4.496 3.389 ( -1.431 4.104 1.151) 4.496 3.592 ( -1.617 -4.910 -5.244) 7.364 3.592 ( -1.617 4.910 -5.244) 7.364 3.828 ( 3.589 -3.710 -0.630) 5.200 3.828 ( 3.589 3.710 -0.630) 5.200 3.993 ( 5.571 -2.396 0.230) 6.069 3.993 ( 5.571 2.396 0.230) 6.069 4.019 ( -0.154 -2.872 -0.257) 2.888 4.019 ( -0.154 2.872 -0.257) 2.888 4.141 ( -1.414 -2.675 2.687) 4.047 4.141 ( -1.414 2.675 2.687) 4.047 4.321 ( 5.650 -1.242 -1.400) 5.952 4.321 ( 5.650 1.242 -1.400) 5.952 4.510 ( -2.988 -7.959 -0.526) 8.517 4.510 ( -2.988 7.959 -0.526) 8.517 4.932 ( 6.523 -4.732 1.212) 8.149 4.932 ( 6.523 4.732 1.212) 8.149 5.041 ( 4.071 -3.721 -0.698) 5.559 5.041 ( 4.071 3.721 -0.698) 5.559 5.160 ( -0.349 -2.455 -0.788) 2.602 5.160 ( -0.349 2.455 -0.788) 2.602 5.633 ( -4.284 -7.291 2.011) 8.693 5.633 ( -4.284 7.291 2.011) 8.693 5.744 ( -5.352 -6.682 0.368) 8.569 5.744 ( -5.352 6.682 0.368) 8.569 6.354 ( -0.698 -2.679 -0.116) 2.771 6.354 ( -0.698 2.679 -0.116) 2.771 6.654 ( -1.351 -7.873 -0.466) 8.001 6.654 ( -1.351 7.873 -0.466) 8.001 6.723 ( -3.187 -4.425 -1.348) 5.617 6.723 ( -3.187 4.425 -1.348) 5.617 6.934 ( 1.212 -6.276 1.151) 6.495 6.934 ( 1.212 6.276 1.151) 6.495 7.178 ( -0.124 -5.759 1.367) 5.920 7.178 ( -0.124 5.759 1.367) 5.920 7.519 ( 1.074 -8.666 -3.388) 9.367 7.519 ( 1.074 8.666 -3.388) 9.367 7.697 ( -4.564 -1.301 0.602) 4.784 7.697 ( -4.564 1.301 0.602) 4.784 7.973 ( -3.574 -3.249 -3.434) 5.927 7.973 ( -3.574 3.249 -3.434) 5.927 8.077 ( 0.446 -3.240 4.954) 5.936 8.077 ( 0.446 3.240 4.954) 5.936 8.272 ( 1.032 -1.794 1.359) 2.475 8.272 ( 1.032 1.794 1.359) 2.475 8.669 ( -0.609 -2.904 0.078) 2.969 8.669 ( -0.609 2.904 0.078) 2.969 8.809 ( 0.492 -3.623 -2.343) 4.343 8.809 ( 0.492 3.623 -2.343) 4.343 9.523 ( -0.406 -2.184 1.019) 2.444 9.523 ( -0.406 2.184 1.019) 2.444 10.148 ( -0.286 -1.129 -0.134) 1.172 10.148 ( -0.286 1.129 -0.134) 1.172 10.624 ( 3.780 -4.838 0.607) 6.169 10.624 ( 3.780 4.838 0.607) 6.169 10.853 ( 0.606 -3.795 -1.892) 4.284 10.853 ( 0.606 3.795 -1.892) 4.284 11.073 ( -2.445 -4.597 2.449) 5.754 11.073 ( -2.445 4.597 2.449) 5.754 11.310 ( 0.759 -2.268 -2.582) 3.519 11.310 ( 0.759 2.268 -2.582) 3.519 11.747 ( 1.786 -3.310 0.049) 3.762 11.747 ( 1.786 3.310 0.049) 3.762 11.873 ( 2.385 -0.389 0.917) 2.585 11.873 ( 2.385 0.389 0.917) 2.585 12.085 ( -3.884 -3.366 0.493) 5.163 12.085 ( -3.884 3.366 0.493) 5.163 12.703 ( 0.082 -6.954 -2.063) 7.254 12.703 ( 0.082 6.954 -2.063) 7.254 12.820 ( 0.170 -5.902 1.600) 6.117 12.820 ( 0.170 5.902 1.600) 6.117 13.035 ( -3.142 -1.068 1.117) 3.502 13.035 ( -3.142 1.068 1.117) 3.502 13.232 ( 2.364 -3.723 -0.703) 4.466 13.232 ( 2.364 3.723 -0.703) 4.466 13.558 ( -1.808 -4.116 -0.196) 4.500 13.558 ( -1.808 4.116 -0.196) 4.500 16.048 ( -0.088 -0.242 0.021) 0.259 16.048 ( -0.088 0.242 0.021) 0.259 16.198 ( -1.765 -0.575 -0.075) 1.858 16.198 ( -1.765 0.575 -0.075) 1.858 21.173 ( -1.265 -2.090 -0.006) 2.443 21.173 ( -1.265 2.090 -0.006) 2.443 21.448 ( -3.153 -1.660 -0.359) 3.581 21.448 ( -3.153 1.660 -0.359) 3.581 22.863 ( 1.092 -1.966 -0.799) 2.386 22.863 ( 1.092 1.966 -0.799) 2.386 23.002 ( 0.037 -0.869 -0.950) 1.288 23.002 ( 0.037 0.869 -0.950) 1.288 23.252 ( -0.598 -0.978 4.267) 4.418 23.252 ( -0.598 0.978 4.267) 4.418 23.425 ( 0.618 -4.132 -1.187) 4.343 23.425 ( 0.618 4.132 -1.187) 4.343 23.727 ( 0.271 -1.020 0.400) 1.128 23.727 ( 0.271 1.020 0.400) 1.128 23.873 ( -0.163 -1.657 -0.589) 1.767 23.873 ( -0.163 1.657 -0.589) 1.767 24.305 ( 1.289 -9.059 -1.473) 9.268 24.305 ( 1.289 9.059 -1.473) 9.268 24.501 ( -1.803 -4.082 0.565) 4.498 24.501 ( -1.803 4.082 0.565) 4.498 25.029 ( 0.161 -3.839 0.639) 3.896 25.029 ( 0.161 3.839 0.639) 3.896 25.136 ( 0.207 -4.539 -0.823) 4.618 25.136 ( 0.207 4.539 -0.823) 4.618 25.629 ( 1.724 -6.140 0.430) 6.392 25.629 ( 1.724 6.140 0.430) 6.392 25.847 ( 2.696 -6.688 -0.108) 7.212 25.847 ( 2.696 6.688 -0.108) 7.212 ======================= Grid point 117 (60/88) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -1.785 -0.673 2.600) 3.225 1.555 ( -1.785 0.673 2.600) 3.225 1.680 ( 6.049 -1.623 -2.332) 6.684 1.680 ( 6.049 1.623 -2.332) 6.684 1.964 ( -5.402 -4.917 3.306) 8.018 1.964 ( -5.402 4.917 3.306) 8.018 2.113 ( 1.630 -3.273 -2.048) 4.191 2.113 ( 1.630 3.273 -2.048) 4.191 2.309 ( 2.319 -2.776 -1.655) 3.978 2.309 ( 2.319 2.776 -1.655) 3.978 2.379 ( -0.764 -2.400 1.238) 2.806 2.379 ( -0.764 2.400 1.238) 2.807 2.469 ( 3.264 -4.832 3.947) 7.041 2.469 ( 3.264 4.832 3.947) 7.041 2.570 ( -3.320 -2.061 1.309) 4.122 2.570 ( -3.320 2.061 1.309) 4.122 2.871 ( -2.533 -4.564 -1.718) 5.496 2.871 ( -2.533 4.564 -1.718) 5.496 2.943 ( 0.140 -5.754 -3.982) 6.999 2.943 ( 0.140 5.754 -3.982) 6.999 3.252 ( 0.605 -5.089 2.796) 5.838 3.252 ( 0.605 5.089 2.796) 5.838 3.374 ( -1.027 -4.905 0.738) 5.065 3.374 ( -1.027 4.905 0.738) 5.065 3.579 ( 3.872 -5.440 -3.777) 7.671 3.579 ( 3.872 5.440 -3.777) 7.671 3.876 ( 1.485 -4.584 0.638) 4.861 3.876 ( 1.485 4.584 0.638) 4.861 3.982 ( -1.881 -3.936 -2.752) 5.157 3.982 ( -1.881 3.936 -2.752) 5.157 4.039 ( -4.378 -2.791 2.501) 5.763 4.039 ( -4.378 2.791 2.501) 5.763 4.125 ( 1.062 -1.632 1.276) 2.328 4.125 ( 1.062 1.632 1.276) 2.328 4.395 ( -0.111 -6.774 -1.400) 6.918 4.395 ( -0.111 6.774 -1.400) 6.918 4.480 ( 2.259 -2.951 -0.170) 3.720 4.480 ( 2.259 2.951 -0.170) 3.720 5.013 ( -0.779 -0.745 0.993) 1.466 5.013 ( -0.779 0.745 0.993) 1.466 5.073 ( -0.449 -7.075 0.638) 7.118 5.073 ( -0.449 7.075 0.638) 7.118 5.147 ( 0.879 -3.379 -2.025) 4.036 5.147 ( 0.879 3.379 -2.025) 4.036 5.583 ( -0.936 -5.785 1.281) 5.999 5.583 ( -0.936 5.785 1.281) 5.999 5.707 ( 0.331 -3.428 1.029) 3.595 5.707 ( 0.331 3.428 1.029) 3.595 6.350 ( 0.051 -1.850 0.330) 1.880 6.350 ( 0.051 1.850 0.330) 1.880 6.635 ( -0.606 -5.855 -0.351) 5.897 6.635 ( -0.606 5.855 -0.351) 5.896 6.684 ( 0.871 -7.129 -2.027) 7.462 6.684 ( 0.871 7.129 -2.027) 7.462 6.977 ( 1.034 -5.761 3.078) 6.613 6.977 ( 1.034 5.761 3.078) 6.613 7.162 ( -1.407 -1.605 -0.461) 2.183 7.162 ( -1.407 1.605 -0.461) 2.183 7.524 ( 1.493 -6.600 -3.142) 7.461 7.524 ( 1.493 6.600 -3.142) 7.461 7.647 ( -0.633 -2.557 0.874) 2.776 7.647 ( -0.633 2.557 0.874) 2.776 7.912 ( -0.254 -3.201 -3.006) 4.398 7.912 ( -0.254 3.201 -3.006) 4.398 8.129 ( 0.508 -2.938 5.724) 6.454 8.129 ( 0.508 2.938 5.724) 6.454 8.279 ( -1.107 -1.718 0.102) 2.047 8.279 ( -1.107 1.718 0.102) 2.047 8.651 ( -0.595 -4.168 -0.852) 4.295 8.651 ( -0.595 4.168 -0.852) 4.295 8.810 ( 1.172 -2.501 -1.911) 3.358 8.810 ( 1.172 2.501 -1.911) 3.358 9.522 ( -0.532 -1.916 1.028) 2.238 9.522 ( -0.532 1.916 1.028) 2.238 10.145 ( 0.087 -0.782 -0.153) 0.801 10.145 ( 0.087 0.782 -0.153) 0.801 10.662 ( -0.792 -2.948 1.320) 3.326 10.662 ( -0.792 2.948 1.320) 3.326 10.853 ( 2.337 -3.644 -3.204) 5.386 10.853 ( 2.337 3.644 -3.204) 5.386 11.070 ( -1.139 -3.886 4.555) 6.095 11.070 ( -1.139 3.886 4.555) 6.095 11.287 ( -0.242 -1.411 -4.472) 4.695 11.287 ( -0.242 1.411 -4.472) 4.695 11.785 ( 1.480 -3.014 1.403) 3.639 11.785 ( 1.480 3.014 1.403) 3.639 11.900 ( -0.993 -2.103 1.938) 3.027 11.900 ( -0.993 2.103 1.938) 3.027 12.035 ( -0.675 -0.561 -1.714) 1.926 12.035 ( -0.675 0.561 -1.714) 1.926 12.703 ( 1.223 -3.526 -1.197) 3.920 12.703 ( 1.223 3.526 -1.197) 3.920 12.832 ( 0.020 -3.738 1.927) 4.206 12.832 ( 0.020 3.738 1.927) 4.206 13.002 ( -1.243 -1.287 0.306) 1.815 13.002 ( -1.243 1.287 0.306) 1.815 13.254 ( 0.435 -3.264 -0.837) 3.397 13.254 ( 0.435 3.264 -0.837) 3.397 13.536 ( -0.314 -2.714 -0.220) 2.740 13.536 ( -0.314 2.714 -0.220) 2.740 16.048 ( -0.014 -0.442 0.038) 0.444 16.048 ( -0.014 0.442 0.038) 0.444 16.182 ( 0.043 -0.743 -0.074) 0.748 16.182 ( 0.043 0.743 -0.074) 0.748 21.194 ( 2.122 -1.877 3.245) 4.308 21.194 ( 2.122 1.877 3.245) 4.308 21.384 ( -2.165 -1.533 -3.749) 4.593 21.384 ( -2.165 1.533 -3.749) 4.593 22.861 ( -0.269 -1.713 -1.373) 2.211 22.861 ( -0.269 1.713 -1.373) 2.211 23.008 ( 0.641 -0.682 -0.049) 0.937 23.008 ( 0.641 0.682 -0.049) 0.937 23.271 ( -0.731 -1.711 4.856) 5.200 23.271 ( -0.731 1.711 4.856) 5.200 23.423 ( 0.269 -2.958 -1.812) 3.479 23.423 ( 0.269 2.958 -1.812) 3.479 23.733 ( -0.123 -0.696 0.637) 0.952 23.733 ( -0.123 0.696 0.637) 0.952 23.868 ( 0.269 -1.082 -0.838) 1.394 23.868 ( 0.269 1.082 -0.838) 1.394 24.315 ( 0.757 -7.119 -0.926) 7.218 24.315 ( 0.757 7.119 -0.926) 7.218 24.481 ( -0.549 -2.880 0.065) 2.933 24.481 ( -0.549 2.880 0.065) 2.933 25.036 ( -0.199 -3.416 0.897) 3.538 25.036 ( -0.199 3.416 0.897) 3.538 25.131 ( 0.127 -4.024 -1.071) 4.166 25.131 ( 0.127 4.024 -1.071) 4.166 25.645 ( -0.223 -5.523 0.337) 5.538 25.645 ( -0.223 5.523 0.337) 5.538 25.871 ( 0.128 -5.807 -0.141) 5.810 25.871 ( 0.128 5.807 -0.141) 5.810 ======================= Grid point 119 (61/88) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -8.811 -5.039 -0.007) 10.150 1.449 ( -8.811 5.039 -0.007) 10.150 1.787 ( 4.140 -5.635 -2.323) 7.368 1.787 ( 4.140 5.635 -2.323) 7.368 1.891 ( -3.989 -3.594 0.164) 5.372 1.891 ( -3.989 3.594 0.164) 5.372 2.084 ( -3.796 -5.516 0.634) 6.726 2.084 ( -3.796 5.516 0.634) 6.726 2.249 ( -6.983 -3.712 -0.891) 7.959 2.249 ( -6.983 3.712 -0.891) 7.959 2.382 ( -0.444 -2.623 1.822) 3.224 2.382 ( -0.444 2.623 1.822) 3.224 2.514 ( 1.161 -2.369 0.918) 2.794 2.514 ( 1.161 2.369 0.918) 2.794 2.615 ( 4.133 -4.236 3.551) 6.902 2.615 ( 4.133 4.236 3.551) 6.902 2.812 ( -0.198 -5.876 -0.635) 5.913 2.812 ( -0.198 5.876 -0.635) 5.913 2.978 ( 5.102 -3.599 -3.010) 6.932 2.978 ( 5.102 3.599 -3.010) 6.932 3.282 ( -0.865 -4.611 2.466) 5.300 3.282 ( -0.865 4.611 2.466) 5.300 3.386 ( 2.627 -4.865 0.902) 5.602 3.386 ( 2.627 4.865 0.902) 5.602 3.639 ( 5.405 -3.698 -5.353) 8.458 3.639 ( 5.405 3.698 -5.353) 8.458 3.839 ( -5.972 -2.507 -0.647) 6.509 3.839 ( -5.972 2.507 -0.647) 6.509 3.956 ( -3.905 -5.311 0.927) 6.657 3.956 ( -3.905 5.311 0.927) 6.657 3.967 ( 0.919 -4.548 0.093) 4.641 3.967 ( 0.919 4.548 0.093) 4.641 4.108 ( -6.073 -5.955 2.199) 8.785 4.108 ( -6.073 5.955 2.199) 8.785 4.354 ( -0.745 -3.259 -1.680) 3.741 4.354 ( -0.745 3.259 -1.680) 3.741 4.533 ( 1.800 -7.317 -0.074) 7.535 4.533 ( 1.800 7.317 -0.074) 7.535 4.923 ( -7.767 -5.040 1.182) 9.333 4.923 ( -7.767 5.040 1.182) 9.333 5.038 ( -2.650 -6.905 -0.692) 7.428 5.038 ( -2.650 6.905 -0.692) 7.428 5.163 ( 0.879 -2.955 -0.802) 3.185 5.163 ( 0.879 2.955 -0.802) 3.185 5.629 ( 3.572 -8.722 1.952) 9.625 5.629 ( 3.572 8.722 1.952) 9.625 5.759 ( 4.607 -7.551 0.426) 8.856 5.759 ( 4.607 7.551 0.426) 8.856 6.363 ( 1.412 -2.140 -0.073) 2.565 6.363 ( 1.412 2.140 -0.073) 2.565 6.636 ( 1.226 -8.086 -0.525) 8.195 6.636 ( 1.226 8.086 -0.525) 8.195 6.717 ( 3.566 -12.103 -1.125) 12.667 6.717 ( 3.566 12.103 -1.125) 12.667 6.983 ( -1.963 -2.242 0.940) 3.125 6.983 ( -1.963 2.242 0.940) 3.125 7.158 ( 0.772 -6.305 1.454) 6.516 7.158 ( 0.772 6.305 1.454) 6.516 7.502 ( -0.724 -7.968 -3.330) 8.666 7.502 ( -0.724 7.968 -3.330) 8.666 7.701 ( 5.128 -3.637 0.461) 6.304 7.701 ( 5.128 3.637 0.461) 6.304 7.923 ( 3.348 -1.129 -1.294) 3.762 7.923 ( 3.348 1.129 -1.294) 3.762 8.170 ( -0.364 -3.156 3.794) 4.949 8.170 ( -0.364 3.156 3.794) 4.949 8.241 ( -2.566 -1.992 0.403) 3.273 8.241 ( -2.566 1.992 0.403) 3.273 8.643 ( -0.031 -4.544 -0.037) 4.544 8.643 ( -0.031 4.544 -0.037) 4.544 8.818 ( 1.396 -2.490 -2.255) 3.638 8.818 ( 1.396 2.490 -2.255) 3.638 9.520 ( -0.524 -1.424 1.030) 1.834 9.520 ( -0.524 1.424 1.030) 1.834 10.149 ( 0.422 -0.951 -0.133) 1.049 10.149 ( 0.422 0.951 -0.133) 1.049 10.618 ( -4.434 -4.456 0.504) 6.306 10.618 ( -4.434 4.456 0.504) 6.306 10.890 ( 3.439 -3.142 -2.142) 5.127 10.890 ( 3.439 3.142 -2.142) 5.127 11.085 ( -1.242 -2.182 3.701) 4.472 11.085 ( -1.242 2.182 3.701) 4.472 11.251 ( 0.164 -1.575 -3.308) 3.668 11.251 ( 0.164 1.575 -3.308) 3.668 11.803 ( -0.026 -2.877 -1.245) 3.135 11.803 ( -0.026 2.877 -1.245) 3.135 11.861 ( -4.345 -1.276 2.120) 5.000 11.861 ( -4.345 1.276 2.120) 5.000 12.058 ( 3.788 -1.605 0.387) 4.132 12.058 ( 3.788 1.605 0.387) 4.132 12.713 ( 0.489 -7.253 -1.998) 7.539 12.713 ( 0.489 7.253 -1.998) 7.539 12.846 ( 0.236 -2.596 1.589) 3.053 12.846 ( 0.236 2.596 1.589) 3.053 13.014 ( 2.262 -3.306 1.071) 4.146 13.014 ( 2.262 3.306 1.071) 4.146 13.234 ( -1.681 -4.116 -0.673) 4.497 13.234 ( -1.681 4.116 -0.673) 4.497 13.541 ( 0.830 -2.548 -0.208) 2.688 13.541 ( 0.830 2.548 -0.208) 2.688 16.048 ( 0.081 -1.130 0.021) 1.133 16.048 ( 0.081 1.130 0.021) 1.133 16.198 ( 1.816 -0.611 -0.074) 1.917 16.198 ( 1.816 0.611 -0.074) 1.917 21.273 ( 2.357 -1.205 0.469) 2.688 21.273 ( 2.357 1.205 0.469) 2.688 21.341 ( 2.098 -1.700 -0.829) 2.824 21.341 ( 2.098 1.700 -0.829) 2.824 22.840 ( -1.096 -1.817 -0.635) 2.215 22.840 ( -1.096 1.817 -0.635) 2.215 23.010 ( -0.217 -0.071 -0.892) 0.920 23.010 ( -0.217 0.071 -0.892) 0.920 23.300 ( -0.294 -3.103 5.098) 5.975 23.300 ( -0.294 3.103 5.098) 5.975 23.413 ( 0.423 -2.806 -2.210) 3.597 23.413 ( 0.423 2.806 -2.210) 3.597 23.729 ( -0.802 -1.062 0.441) 1.402 23.729 ( -0.802 1.062 0.441) 1.402 23.870 ( 0.465 -1.386 -0.654) 1.602 23.870 ( 0.465 1.386 -0.654) 1.602 24.314 ( 0.080 -3.298 -1.637) 3.683 24.314 ( 0.080 3.298 -1.637) 3.683 24.487 ( 1.010 -0.329 0.717) 1.281 24.487 ( 1.010 0.329 0.717) 1.281 25.033 ( -0.738 -2.267 0.735) 2.495 25.033 ( -0.738 2.267 0.735) 2.495 25.126 ( 0.204 -3.085 -0.913) 3.224 25.126 ( 0.204 3.085 -0.913) 3.224 25.627 ( -2.135 -4.259 0.417) 4.783 25.627 ( -2.135 4.259 0.417) 4.783 25.850 ( -2.373 -5.564 -0.100) 6.050 25.850 ( -2.373 5.564 -0.100) 6.050 ======================= Grid point 121 (62/88) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -6.326 -9.191 2.085) 11.351 1.310 ( -6.326 9.191 2.085) 11.351 1.713 ( -9.051 -8.275 -5.990) 13.648 1.713 ( -9.051 8.275 -5.990) 13.648 1.831 ( -1.226 -9.576 -0.179) 9.655 1.831 ( -1.226 9.576 -0.179) 9.655 2.053 ( -0.301 -4.878 0.389) 4.903 2.053 ( -0.301 4.878 0.389) 4.903 2.089 ( -8.474 -1.431 -3.458) 9.263 2.089 ( -8.474 1.431 -3.458) 9.263 2.367 ( -2.691 -3.127 2.035) 4.600 2.367 ( -2.691 3.127 2.035) 4.600 2.569 ( 4.798 -3.300 0.190) 5.827 2.569 ( 4.798 3.300 0.190) 5.827 2.700 ( 1.073 -2.679 4.666) 5.486 2.700 ( 1.073 2.679 4.666) 5.486 2.865 ( 3.701 -5.148 1.031) 6.424 2.865 ( 3.701 5.148 1.031) 6.424 3.040 ( 3.758 -1.812 -2.264) 4.747 3.040 ( 3.758 1.812 -2.264) 4.747 3.245 ( -4.067 -1.723 2.846) 5.254 3.245 ( -4.067 1.723 2.846) 5.254 3.482 ( 5.677 -1.865 1.269) 6.109 3.482 ( 5.677 1.865 1.269) 6.109 3.635 ( -2.869 -1.773 -6.593) 7.406 3.635 ( -2.869 1.773 -6.593) 7.406 3.740 ( -3.031 -7.309 -0.084) 7.913 3.740 ( -3.031 7.309 -0.084) 7.913 3.870 ( -4.401 -6.439 0.271) 7.804 3.870 ( -4.401 6.439 0.271) 7.804 3.933 ( -6.815 -0.860 1.155) 6.966 3.933 ( -6.815 0.860 1.155) 6.966 4.083 ( 4.062 -3.039 1.180) 5.209 4.083 ( 4.062 3.039 1.180) 5.209 4.340 ( -0.770 -0.364 0.080) 0.855 4.340 ( -0.770 0.364 0.080) 0.855 4.517 ( -2.652 -10.459 -1.232) 10.860 4.517 ( -2.652 10.459 -1.232) 10.860 4.814 ( -5.279 -4.641 1.121) 7.118 4.814 ( -5.279 4.641 1.121) 7.118 4.991 ( -1.670 -7.830 -1.175) 8.092 4.991 ( -1.670 7.830 -1.175) 8.092 5.158 ( -1.064 -0.863 0.669) 1.525 5.158 ( -1.064 0.863 0.669) 1.525 5.710 ( 3.821 -5.927 1.608) 7.233 5.710 ( 3.821 5.927 1.608) 7.233 5.850 ( 4.829 -6.115 -0.315) 7.798 5.850 ( 4.829 6.115 -0.315) 7.798 6.405 ( 3.769 -3.424 -0.798) 5.154 6.405 ( 3.769 3.424 -0.798) 5.154 6.666 ( 2.229 -8.290 -0.087) 8.585 6.666 ( 2.229 8.290 -0.087) 8.585 6.770 ( 2.511 -9.962 -0.313) 10.278 6.770 ( 2.511 9.962 -0.313) 10.278 6.964 ( 0.693 -2.422 -0.454) 2.560 6.964 ( 0.693 2.422 -0.454) 2.560 7.178 ( -0.955 -6.732 2.158) 7.134 7.178 ( -0.955 6.732 2.158) 7.134 7.472 ( 0.226 -7.241 -2.576) 7.689 7.472 ( 0.226 7.241 -2.576) 7.689 7.796 ( 5.021 -4.758 -1.083) 7.002 7.796 ( 5.021 4.758 -1.083) 7.002 8.003 ( 4.944 -1.889 1.635) 5.540 8.003 ( 4.944 1.889 1.635) 5.540 8.141 ( -3.018 -2.402 -0.813) 3.942 8.141 ( -3.018 2.402 -0.813) 3.942 8.248 ( 1.815 -1.536 2.518) 3.463 8.248 ( 1.815 1.536 2.518) 3.463 8.642 ( -0.858 -4.186 1.282) 4.461 8.642 ( -0.858 4.186 1.282) 4.461 8.827 ( 1.662 -3.180 -2.651) 4.462 8.827 ( 1.662 3.180 -2.651) 4.462 9.519 ( -0.409 -0.772 0.978) 1.311 9.519 ( -0.409 0.772 0.978) 1.311 10.155 ( 0.340 -1.719 -0.043) 1.753 10.155 ( 0.340 1.719 -0.043) 1.753 10.530 ( -5.403 -5.190 -0.084) 7.492 10.530 ( -5.403 5.190 -0.084) 7.492 10.919 ( 0.811 -1.591 -1.939) 2.636 10.919 ( 0.811 1.591 -1.939) 2.636 11.077 ( -1.086 -2.719 1.592) 3.332 11.077 ( -1.086 2.719 1.592) 3.332 11.271 ( 3.655 -3.507 -0.087) 5.066 11.271 ( 3.655 3.507 -0.087) 5.066 11.752 ( -4.180 -0.858 -1.119) 4.411 11.752 ( -4.180 0.858 -1.119) 4.411 11.819 ( -0.916 -4.857 -0.868) 5.018 11.819 ( -0.916 4.857 -0.868) 5.018 12.157 ( 5.716 -0.976 2.644) 6.373 12.157 ( 5.716 0.976 2.644) 6.373 12.683 ( -1.821 -8.732 -1.492) 9.043 12.683 ( -1.821 8.732 -1.492) 9.043 12.867 ( 0.930 -4.884 -0.130) 4.973 12.867 ( 0.930 4.884 -0.130) 4.973 13.062 ( 1.006 -2.701 0.091) 2.884 13.062 ( 1.006 2.701 0.091) 2.884 13.223 ( 1.952 -6.615 0.921) 6.958 13.223 ( 1.952 6.615 0.921) 6.958 13.552 ( 0.202 -1.512 0.367) 1.569 13.552 ( 0.202 1.512 0.367) 1.569 16.054 ( 0.661 -2.065 -0.022) 2.168 16.054 ( 0.661 2.065 -0.022) 2.168 16.240 ( 2.828 -0.302 -0.054) 2.845 16.240 ( 2.828 0.302 -0.054) 2.845 21.255 ( 0.311 -1.518 -4.473) 4.734 21.255 ( 0.311 1.518 -4.473) 4.734 21.473 ( 8.137 -2.479 4.322) 9.541 21.473 ( 8.137 2.479 4.322) 9.541 22.813 ( -1.811 -2.299 0.324) 2.945 22.813 ( -1.811 2.299 0.324) 2.945 22.990 ( -0.988 -0.419 -1.095) 1.533 22.990 ( -0.988 0.419 -1.095) 1.533 23.333 ( -0.073 -4.748 4.398) 6.473 23.333 ( -0.073 4.748 4.398) 6.473 23.401 ( 0.276 -3.138 -3.267) 4.538 23.401 ( 0.276 3.138 -3.267) 4.538 23.714 ( -1.103 -1.071 0.319) 1.570 23.714 ( -1.103 1.071 0.319) 1.570 23.873 ( 0.112 -2.523 0.265) 2.539 23.873 ( 0.112 2.523 0.265) 2.539 24.287 ( -1.255 -1.015 -3.083) 3.480 24.287 ( -1.255 1.015 -3.083) 3.480 24.526 ( 2.107 -2.402 1.732) 3.634 24.526 ( 2.107 2.402 1.732) 3.634 25.026 ( -0.227 -0.519 0.184) 0.596 25.026 ( -0.227 0.519 0.184) 0.596 25.126 ( 0.250 -1.738 -0.326) 1.786 25.126 ( 0.250 1.738 -0.326) 1.786 25.580 ( -3.480 -2.963 0.614) 4.611 25.580 ( -3.480 2.963 0.614) 4.611 25.789 ( -4.314 -6.385 -0.087) 7.706 25.789 ( -4.314 6.385 -0.087) 7.706 ======================= Grid point 123 (63/88) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -0.064 -14.086 6.539) 15.530 1.287 ( -0.064 14.086 6.539) 15.530 1.485 ( -9.574 -9.385 -6.540) 14.916 1.485 ( -9.574 9.385 -6.540) 14.916 1.800 ( -2.558 -6.524 -1.531) 7.173 1.800 ( -2.558 6.524 -1.531) 7.173 1.923 ( -5.744 -6.109 -1.557) 8.529 1.923 ( -5.744 6.109 -1.557) 8.529 2.086 ( 3.759 -7.181 -3.142) 8.693 2.086 ( 3.759 7.181 -3.142) 8.693 2.338 ( -1.370 -3.477 2.073) 4.273 2.338 ( -1.370 3.477 2.073) 4.273 2.640 ( 0.237 -3.616 0.026) 3.624 2.640 ( 0.237 3.616 0.026) 3.624 2.703 ( -2.957 -6.400 4.505) 8.366 2.703 ( -2.957 6.400 4.505) 8.366 2.894 ( -0.649 -3.058 0.300) 3.141 2.894 ( -0.649 3.058 0.300) 3.141 3.075 ( 2.422 -2.054 -2.817) 4.245 3.075 ( 2.422 2.054 -2.817) 4.245 3.232 ( -0.782 -3.632 2.956) 4.748 3.232 ( -0.782 3.632 2.956) 4.748 3.451 ( -9.949 -7.288 -0.728) 12.354 3.451 ( -9.949 7.288 -0.728) 12.354 3.556 ( 1.642 -3.323 -3.669) 5.216 3.556 ( 1.642 3.323 -3.669) 5.216 3.734 ( 0.968 -6.542 1.703) 6.829 3.734 ( 0.968 6.542 1.703) 6.829 3.832 ( -2.794 -2.502 0.231) 3.758 3.832 ( -2.794 2.502 0.231) 3.758 3.855 ( -0.215 -5.281 -1.166) 5.412 3.855 ( -0.215 5.281 -1.166) 5.412 4.167 ( 3.588 -3.736 0.444) 5.199 4.167 ( 3.588 3.736 0.444) 5.199 4.328 ( -1.324 -4.361 3.187) 5.561 4.328 ( -1.324 4.361 3.187) 5.561 4.466 ( -0.301 -10.383 -3.098) 10.839 4.466 ( -0.301 10.383 -3.098) 10.839 4.745 ( -3.473 -2.801 1.092) 4.593 4.745 ( -3.473 2.801 1.092) 4.593 4.954 ( -1.992 -8.417 -0.571) 8.668 4.954 ( -1.992 8.417 -0.571) 8.668 5.140 ( -2.042 -3.346 1.902) 4.357 5.140 ( -2.042 3.346 1.902) 4.357 5.779 ( 2.692 -3.684 0.802) 4.633 5.779 ( 2.692 3.684 0.802) 4.633 5.914 ( 3.800 -5.221 -2.444) 6.904 5.914 ( 3.800 5.221 -2.444) 6.904 6.478 ( 4.658 -5.622 -0.384) 7.311 6.478 ( 4.658 5.622 -0.384) 7.311 6.701 ( 1.076 -8.842 0.625) 8.929 6.701 ( 1.076 8.842 0.625) 8.929 6.806 ( 2.251 -5.538 0.071) 5.978 6.806 ( 2.251 5.538 0.071) 5.978 7.002 ( 3.036 -2.629 -0.336) 4.030 7.002 ( 3.036 2.629 -0.336) 4.030 7.148 ( -3.262 -7.262 0.413) 7.972 7.148 ( -3.262 7.262 0.413) 7.972 7.477 ( 1.403 -6.375 -0.359) 6.537 7.477 ( 1.403 6.375 -0.359) 6.537 7.845 ( 1.790 -5.882 -2.502) 6.638 7.845 ( 1.790 5.882 -2.502) 6.638 8.052 ( -1.477 -0.209 0.097) 1.494 8.052 ( -1.477 0.209 0.097) 1.494 8.145 ( 3.718 -3.793 3.372) 6.291 8.145 ( 3.718 3.793 3.372) 6.291 8.323 ( 5.427 -2.770 -0.110) 6.094 8.323 ( 5.427 2.770 -0.110) 6.094 8.628 ( -1.861 -3.558 1.393) 4.250 8.628 ( -1.861 3.558 1.393) 4.250 8.833 ( 1.039 -3.662 -2.444) 4.523 8.833 ( 1.039 3.662 -2.444) 4.523 9.521 ( -0.174 -0.323 0.860) 0.935 9.521 ( -0.174 0.323 0.860) 0.935 10.158 ( -0.110 -2.479 0.124) 2.485 10.158 ( -0.110 2.479 0.124) 2.485 10.436 ( -4.895 -4.829 0.181) 6.878 10.436 ( -4.895 4.829 0.181) 6.878 10.884 ( -1.677 -3.885 -3.782) 5.676 10.884 ( -1.677 3.885 -3.782) 5.676 11.092 ( 0.682 -5.354 3.043) 6.196 11.092 ( 0.682 5.354 3.043) 6.196 11.364 ( 6.138 -3.519 0.407) 7.087 11.364 ( 6.138 3.519 0.407) 7.087 11.668 ( -4.672 -0.701 0.566) 4.758 11.668 ( -4.672 0.701 0.566) 4.758 11.800 ( 0.500 -6.450 -3.555) 7.381 11.800 ( 0.500 6.450 -3.555) 7.381 12.284 ( 6.017 -1.640 2.318) 6.653 12.284 ( 6.017 1.640 2.318) 6.653 12.650 ( -1.196 -8.250 0.777) 8.373 12.650 ( -1.196 8.250 0.777) 8.373 12.850 ( -1.517 -5.470 -3.606) 6.725 12.850 ( -1.517 5.470 -3.606) 6.725 13.059 ( -0.217 -1.104 0.442) 1.209 13.059 ( -0.217 1.104 0.442) 1.209 13.312 ( 5.875 -4.017 1.097) 7.201 13.312 ( 5.875 4.017 1.097) 7.201 13.553 ( -1.129 -3.312 1.929) 3.996 13.553 ( -1.129 3.312 1.929) 3.996 16.071 ( 1.252 -3.262 -0.057) 3.495 16.071 ( 1.252 3.262 -0.057) 3.495 16.293 ( 3.038 -0.051 -0.009) 3.038 16.293 ( 3.038 0.051 -0.009) 3.038 21.245 ( 1.290 -1.351 -1.764) 2.569 21.245 ( 1.290 1.351 -1.764) 2.569 21.656 ( 9.504 -4.103 1.675) 10.486 21.656 ( 9.504 4.103 1.675) 10.486 22.781 ( -2.369 -2.583 0.949) 3.631 22.781 ( -2.369 2.583 0.949) 3.631 22.970 ( -0.646 -1.030 0.257) 1.242 22.970 ( -0.646 1.030 0.257) 1.242 23.342 ( -1.380 -7.513 -2.764) 8.123 23.342 ( -1.380 7.513 -2.764) 8.123 23.383 ( 0.356 -0.934 1.077) 1.469 23.383 ( 0.356 0.934 1.077) 1.469 23.694 ( -1.324 -0.683 0.093) 1.493 23.694 ( -1.324 0.683 0.093) 1.493 23.883 ( 0.301 -3.654 1.349) 3.907 23.883 ( 0.301 3.654 1.349) 3.907 24.229 ( -2.453 -2.810 -2.967) 4.766 24.229 ( -2.453 2.810 -2.967) 4.766 24.571 ( 1.265 -2.352 1.447) 3.038 24.571 ( 1.265 2.352 1.447) 3.038 25.034 ( 1.135 -2.120 -0.400) 2.438 25.034 ( 1.135 2.120 -0.400) 2.438 25.132 ( 0.606 -0.916 0.361) 1.157 25.132 ( 0.606 0.916 0.361) 1.157 25.518 ( -3.889 -2.106 0.809) 4.495 25.518 ( -3.889 2.106 0.809) 4.495 25.703 ( -5.019 -7.245 -0.407) 8.823 25.703 ( -5.019 7.245 -0.407) 8.823 ======================= Grid point 125 (64/88) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -8.280 -12.592 -3.537) 15.480 1.238 ( -8.280 12.592 -3.537) 15.480 1.451 ( 8.598 -20.129 2.536) 22.035 1.451 ( 8.598 20.129 2.536) 22.035 1.755 ( -1.612 -3.760 3.024) 5.087 1.755 ( -1.612 3.760 3.024) 5.087 1.850 ( -2.535 -9.656 -1.171) 10.052 1.850 ( -2.535 9.656 -1.171) 10.052 2.083 ( -3.203 -6.985 -1.893) 7.914 2.083 ( -3.203 6.985 -1.893) 7.914 2.388 ( 6.355 -3.359 -0.906) 7.245 2.388 ( 6.355 3.359 -0.906) 7.245 2.567 ( -5.576 -10.163 3.333) 12.062 2.567 ( -5.576 10.163 3.333) 12.062 2.719 ( 0.645 -3.654 0.997) 3.842 2.719 ( 0.645 3.654 0.997) 3.842 2.861 ( -2.687 -1.919 -2.246) 3.993 2.861 ( -2.687 1.919 -2.246) 3.993 3.054 ( -5.108 -5.773 2.292) 8.042 3.054 ( -5.108 5.773 2.292) 8.042 3.201 ( -2.641 -5.927 0.999) 6.565 3.201 ( -2.641 5.927 0.999) 6.565 3.351 ( 0.772 -1.525 -5.939) 6.180 3.351 ( 0.772 1.525 -5.939) 6.180 3.564 ( 1.832 -4.630 -1.058) 5.090 3.564 ( 1.832 4.630 -1.058) 5.090 3.737 ( -1.419 -4.235 0.452) 4.489 3.737 ( -1.419 4.235 0.452) 4.489 3.778 ( -3.240 -3.298 0.189) 4.627 3.778 ( -3.240 3.298 0.189) 4.627 3.876 ( 1.981 -3.822 0.594) 4.346 3.876 ( 1.981 3.822 0.594) 4.346 4.210 ( 1.663 -3.538 -0.253) 3.918 4.210 ( 1.663 3.538 -0.253) 3.918 4.346 ( 0.342 -6.094 0.959) 6.178 4.346 ( 0.342 6.094 0.959) 6.178 4.470 ( 2.133 -7.232 0.000) 7.540 4.470 ( 2.133 7.232 0.000) 7.540 4.708 ( -1.555 -0.966 0.786) 1.992 4.708 ( -1.555 0.966 0.786) 1.992 4.910 ( -3.080 -7.715 1.137) 8.385 4.910 ( -3.080 7.715 1.137) 8.385 5.119 ( -1.746 -5.732 2.153) 6.367 5.119 ( -1.746 5.732 2.153) 6.367 5.808 ( -0.249 -3.969 1.093) 4.124 5.808 ( -0.249 3.969 1.093) 4.124 5.958 ( 4.646 -6.266 -5.671) 9.644 5.958 ( 4.646 6.266 -5.671) 9.644 6.551 ( 2.662 -6.773 1.678) 7.468 6.551 ( 2.662 6.773 1.678) 7.468 6.714 ( -0.035 -7.696 1.340) 7.811 6.714 ( -0.035 7.696 1.340) 7.811 6.855 ( 2.981 -5.911 -0.540) 6.642 6.855 ( 2.981 5.911 -0.540) 6.642 7.031 ( -0.148 -4.256 -0.791) 4.332 7.031 ( -0.148 4.256 -0.791) 4.332 7.093 ( -1.697 -8.111 -0.940) 8.340 7.093 ( -1.697 8.111 -0.940) 8.340 7.508 ( 1.487 -5.524 1.496) 5.913 7.508 ( 1.487 5.524 1.496) 5.913 7.832 ( -0.519 -7.419 -2.192) 7.754 7.832 ( -0.519 7.419 -2.192) 7.754 8.027 ( -0.719 -2.575 -0.673) 2.757 8.027 ( -0.719 2.575 -0.673) 2.757 8.237 ( 2.860 -3.962 3.219) 5.851 8.237 ( 2.860 3.962 3.219) 5.851 8.421 ( 4.907 -4.346 0.369) 6.565 8.421 ( 4.907 4.346 0.369) 6.565 8.601 ( -1.577 -2.689 0.238) 3.127 8.601 ( -1.577 2.689 0.238) 3.127 8.823 ( -0.045 -3.657 -2.450) 4.402 8.823 ( -0.045 3.657 -2.450) 4.402 9.526 ( 0.013 -0.458 0.872) 0.984 9.526 ( 0.013 0.458 0.872) 0.984 10.153 ( -0.521 -2.365 0.009) 2.421 10.153 ( -0.521 2.365 0.009) 2.421 10.371 ( -2.847 -3.918 1.298) 5.014 10.371 ( -2.847 3.918 1.298) 5.014 10.827 ( -0.824 -4.795 -4.705) 6.768 10.827 ( -0.824 4.795 -4.705) 6.768 11.132 ( 0.796 -5.707 3.037) 6.513 11.132 ( 0.796 5.707 3.037) 6.513 11.466 ( 4.066 -1.199 0.551) 4.275 11.466 ( 4.066 1.199 0.551) 4.275 11.604 ( -2.744 -1.514 0.636) 3.198 11.604 ( -2.744 1.514 0.636) 3.198 11.785 ( 1.127 -5.420 -3.764) 6.694 11.785 ( 1.127 5.420 -3.764) 6.694 12.384 ( 3.547 -1.508 0.660) 3.911 12.384 ( 3.547 1.508 0.660) 3.911 12.645 ( -1.105 -6.492 0.958) 6.654 12.645 ( -1.105 6.492 0.958) 6.654 12.791 ( -0.476 -5.561 -3.620) 6.653 12.791 ( -0.476 5.561 -3.620) 6.653 13.069 ( 0.704 -1.378 0.277) 1.571 13.069 ( 0.704 1.378 0.277) 1.571 13.413 ( 4.455 -3.537 -0.239) 5.693 13.413 ( 4.455 3.537 -0.239) 5.693 13.542 ( -2.326 -8.150 3.878) 9.320 13.542 ( -2.326 8.150 3.878) 9.320 16.093 ( 1.117 -4.106 -0.085) 4.256 16.093 ( 1.117 4.106 -0.085) 4.256 16.341 ( 2.126 -0.051 -0.042) 2.127 16.341 ( 2.126 0.051 -0.042) 2.127 21.274 ( 1.674 -0.993 2.123) 2.881 21.274 ( 1.674 0.993 2.123) 2.881 21.809 ( 7.188 -6.398 -2.375) 9.911 21.809 ( 7.188 6.398 -2.375) 9.911 22.747 ( -2.129 -2.804 0.874) 3.627 22.747 ( -2.129 2.804 0.874) 3.627 22.971 ( -0.377 -2.484 1.907) 3.155 22.971 ( -0.377 2.484 1.907) 3.155 23.271 ( -1.432 -4.365 -6.284) 7.785 23.271 ( -1.432 4.365 -6.284) 7.785 23.408 ( -0.138 -0.407 2.946) 2.977 23.408 ( -0.138 0.407 2.946) 2.977 23.679 ( -0.235 -1.088 0.483) 1.213 23.679 ( -0.235 1.088 0.483) 1.213 23.889 ( -0.517 -2.383 -0.249) 2.451 23.889 ( -0.517 2.383 -0.249) 2.451 24.181 ( -1.191 -2.501 0.734) 2.865 24.181 ( -1.191 2.501 0.734) 2.865 24.584 ( -0.307 -3.292 -0.072) 3.307 24.584 ( -0.307 3.292 -0.072) 3.307 25.049 ( 0.660 -2.840 -0.550) 2.967 25.049 ( 0.660 2.840 -0.550) 2.967 25.157 ( 1.639 -1.685 0.549) 2.414 25.157 ( 1.639 1.685 0.549) 2.414 25.462 ( -2.941 -1.952 1.036) 3.678 25.462 ( -2.941 1.952 1.036) 3.678 25.616 ( -3.773 -6.795 -1.287) 7.878 25.616 ( -3.773 6.795 -1.287) 7.878 ======================= Grid point 147 (65/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 2.159 0.000 -19.893) 20.010 0.904 ( -2.159 0.000 19.893) 20.010 1.020 ( 7.763 0.000 -23.354) 24.610 1.020 ( -7.763 0.000 23.354) 24.610 1.463 ( -7.556 0.000 -31.659) 32.548 1.463 ( 7.556 0.000 31.659) 32.548 2.123 ( 0.793 0.000 -6.141) 6.192 2.123 ( -0.793 0.000 6.141) 6.192 2.369 ( 1.913 0.000 -7.344) 7.589 2.369 ( -1.913 0.000 7.344) 7.589 2.582 ( 5.601 0.000 -3.914) 6.833 2.582 ( -5.601 0.000 3.914) 6.833 2.671 ( 3.905 0.000 -6.036) 7.189 2.671 ( -3.905 0.000 6.036) 7.189 2.862 ( -0.876 0.000 -4.263) 4.352 2.862 ( 0.876 0.000 4.263) 4.352 2.914 ( -3.104 0.000 -6.486) 7.191 2.914 ( 3.104 0.000 6.486) 7.191 3.072 ( -2.644 0.000 -3.851) 4.671 3.072 ( 2.644 0.000 3.851) 4.671 3.212 ( -5.157 0.000 -3.009) 5.970 3.212 ( 5.157 0.000 3.009) 5.970 3.307 ( -1.404 0.000 -3.029) 3.338 3.307 ( 1.404 0.000 3.029) 3.338 3.506 ( 0.483 0.000 -2.147) 2.201 3.506 ( -0.483 0.000 2.147) 2.201 3.674 ( 3.641 0.000 -1.860) 4.089 3.674 ( -3.641 0.000 1.860) 4.089 3.878 ( -8.941 0.000 0.484) 8.954 3.878 ( 8.941 0.000 -0.484) 8.954 4.012 ( 6.301 0.000 -2.317) 6.713 4.012 ( -6.301 0.000 2.317) 6.713 4.129 ( 2.434 0.000 -1.488) 2.852 4.129 ( -2.434 0.000 1.488) 2.852 4.471 ( -4.373 0.000 -1.530) 4.633 4.471 ( 4.373 0.000 1.530) 4.633 4.500 ( 4.795 0.000 -1.932) 5.169 4.500 ( -4.795 0.000 1.932) 5.169 4.898 ( 1.943 0.000 -5.888) 6.201 4.898 ( -1.943 0.000 5.888) 6.201 5.130 ( 1.833 0.000 -7.975) 8.183 5.130 ( -1.833 0.000 7.975) 8.183 5.264 ( -1.073 0.000 -0.469) 1.171 5.264 ( 1.073 0.000 0.469) 1.171 5.655 ( -4.298 0.000 -6.242) 7.578 5.655 ( 4.298 0.000 6.242) 7.578 5.858 ( -0.206 0.000 -0.605) 0.639 5.858 ( 0.206 0.000 0.605) 0.639 6.302 ( 4.843 0.000 -9.305) 10.490 6.302 ( -4.843 0.000 9.305) 10.490 6.476 ( -3.707 0.000 -7.864) 8.694 6.476 ( 3.707 0.000 7.864) 8.694 6.934 ( -1.567 0.000 -2.541) 2.985 6.934 ( 1.567 0.000 2.541) 2.985 7.110 ( 0.515 0.000 -1.399) 1.491 7.110 ( -0.515 0.000 1.399) 1.491 7.237 ( -2.196 0.000 -3.129) 3.823 7.237 ( 2.196 0.000 3.129) 3.823 7.388 ( 1.214 0.000 -4.913) 5.061 7.388 ( -1.214 0.000 4.913) 5.061 7.778 ( 0.138 0.000 -0.578) 0.594 7.778 ( -0.138 0.000 0.578) 0.594 7.971 ( 1.409 0.000 -0.831) 1.636 7.971 ( -1.409 0.000 0.831) 1.636 8.359 ( 0.151 0.000 -7.796) 7.798 8.359 ( -0.151 0.000 7.796) 7.798 8.442 ( -2.461 0.000 -3.426) 4.219 8.442 ( 2.461 0.000 3.426) 4.219 8.582 ( -2.371 0.000 -5.960) 6.414 8.582 ( 2.371 0.000 5.960) 6.414 8.940 ( 0.814 0.000 -1.036) 1.317 8.940 ( -0.814 0.000 1.036) 1.317 9.469 ( 0.917 0.000 -2.009) 2.209 9.469 ( -0.917 0.000 2.009) 2.209 9.990 ( -0.776 0.000 -0.388) 0.868 9.990 ( 0.776 0.000 0.388) 0.868 10.426 ( 7.356 0.000 -5.268) 9.048 10.426 ( -7.356 0.000 5.268) 9.048 10.836 ( -3.509 0.000 0.354) 3.527 10.836 ( 3.509 0.000 -0.354) 3.527 11.105 ( -3.548 0.000 -6.121) 7.075 11.105 ( 3.548 0.000 6.121) 7.075 11.290 ( 4.651 0.000 -2.141) 5.120 11.290 ( -4.651 0.000 2.141) 5.120 11.398 ( -3.950 0.000 -1.608) 4.264 11.398 ( 3.950 0.000 1.608) 4.264 11.905 ( -6.545 0.000 -5.227) 8.376 11.905 ( 6.545 0.000 5.227) 8.376 12.414 ( -17.533 0.000 5.310) 18.319 12.414 ( 17.533 0.000 -5.310) 18.319 12.484 ( -2.382 0.000 -3.719) 4.417 12.484 ( 2.382 0.000 3.719) 4.417 12.773 ( -2.734 0.000 -3.347) 4.322 12.773 ( 2.734 0.000 3.347) 4.322 13.087 ( 6.275 0.000 -5.002) 8.025 13.087 ( -6.275 0.000 5.002) 8.025 13.352 ( 1.977 0.000 -0.923) 2.181 13.352 ( -1.977 0.000 0.923) 2.181 13.719 ( 0.275 0.000 -1.719) 1.741 13.719 ( -0.275 0.000 1.719) 1.741 15.992 ( 0.214 0.000 -0.085) 0.230 15.992 ( -0.214 0.000 0.085) 0.230 16.398 ( -0.231 0.000 -0.302) 0.380 16.398 ( 0.231 0.000 0.302) 0.380 21.370 ( -1.743 0.000 -6.068) 6.314 21.370 ( 1.743 0.000 6.068) 6.314 21.835 ( 1.585 0.000 -4.611) 4.876 21.835 ( -1.585 0.000 4.611) 4.876 22.627 ( 0.940 0.000 -3.299) 3.430 22.627 ( -0.940 0.000 3.299) 3.430 22.956 ( -2.021 0.000 -3.842) 4.341 22.956 ( 2.021 0.000 3.842) 4.341 23.220 ( -5.049 0.000 1.385) 5.236 23.220 ( 5.049 0.000 -1.385) 5.236 23.425 ( 5.130 0.000 -1.867) 5.459 23.425 ( -5.130 0.000 1.867) 5.459 23.696 ( -0.935 0.000 -1.004) 1.372 23.696 ( 0.935 0.000 1.004) 1.372 23.975 ( 2.596 0.000 -4.126) 4.874 23.975 ( -2.596 0.000 4.126) 4.874 24.221 ( -6.672 0.000 -1.877) 6.931 24.221 ( 6.672 0.000 1.877) 6.931 24.746 ( 4.640 0.000 -2.176) 5.125 24.746 ( -4.640 0.000 2.176) 5.125 24.999 ( -7.613 0.000 -3.166) 8.246 24.999 ( 7.613 0.000 3.166) 8.246 25.264 ( -3.671 0.000 -0.336) 3.686 25.264 ( 3.671 0.000 0.336) 3.686 25.304 ( -7.787 0.000 -0.717) 7.820 25.304 ( 7.787 0.000 0.717) 7.820 25.406 ( -8.148 0.000 1.351) 8.260 25.406 ( 8.148 0.000 -1.351) 8.260 ======================= Grid point 149 (66/88) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.362 0.000 -23.039) 23.042 0.926 ( 16.093 0.000 -17.726) 23.942 1.107 ( 7.903 0.000 14.856) 16.827 1.109 ( 0.258 0.000 18.726) 18.728 1.409 ( 26.069 0.000 -26.488) 37.164 1.894 ( 13.847 0.000 21.680) 25.725 2.052 ( -2.098 0.000 -3.052) 3.703 2.059 ( -8.371 0.000 1.405) 8.488 2.361 ( 3.201 0.000 -7.822) 8.452 2.404 ( 0.613 0.000 3.359) 3.414 2.511 ( -3.552 0.000 1.576) 3.886 2.592 ( -3.099 0.000 0.232) 3.107 2.595 ( -7.693 0.000 2.986) 8.253 2.729 ( 9.827 0.000 -5.483) 11.253 2.839 ( 0.154 0.000 1.591) 1.599 2.855 ( 0.097 0.000 -5.590) 5.591 2.875 ( -3.725 0.000 1.614) 4.060 2.963 ( -8.516 0.000 0.744) 8.549 3.055 ( 6.078 0.000 4.848) 7.774 3.083 ( -3.389 0.000 -2.861) 4.435 3.102 ( -3.544 0.000 0.765) 3.626 3.214 ( 0.538 0.000 -1.599) 1.688 3.327 ( -1.090 0.000 7.304) 7.385 3.350 ( -0.156 0.000 3.706) 3.709 3.496 ( -2.209 0.000 0.897) 2.384 3.520 ( 5.222 0.000 -6.577) 8.398 3.619 ( -2.418 0.000 2.336) 3.362 3.658 ( -0.501 0.000 -4.310) 4.339 3.836 ( 2.040 0.000 2.757) 3.430 3.949 ( -1.415 0.000 -1.213) 1.864 4.034 ( 5.891 0.000 0.266) 5.897 4.077 ( -1.404 0.000 3.180) 3.476 4.137 ( 0.918 0.000 -3.904) 4.010 4.180 ( 11.327 0.000 -5.254) 12.487 4.385 ( -3.504 0.000 -0.686) 3.571 4.468 ( -0.058 0.000 2.613) 2.614 4.555 ( 2.644 0.000 1.072) 2.853 4.588 ( 4.194 0.000 -1.759) 4.548 4.872 ( -5.917 0.000 2.710) 6.508 4.911 ( 6.321 0.000 -7.253) 9.621 5.086 ( -1.887 0.000 -3.555) 4.024 5.166 ( -1.638 0.000 12.598) 12.704 5.257 ( 1.424 0.000 -4.337) 4.565 5.302 ( 2.709 0.000 -0.879) 2.848 5.469 ( -10.976 0.000 -1.631) 11.096 5.651 ( -6.528 0.000 2.522) 6.998 5.864 ( -0.405 0.000 -0.336) 0.527 5.886 ( 0.964 0.000 3.115) 3.261 6.274 ( -5.648 0.000 7.348) 9.268 6.308 ( 3.995 0.000 -10.611) 11.338 6.365 ( -3.315 0.000 -4.805) 5.837 6.599 ( 2.445 0.000 9.329) 9.644 6.860 ( -4.065 0.000 -2.171) 4.609 6.924 ( -7.688 0.000 2.829) 8.192 7.027 ( -4.200 0.000 -4.809) 6.385 7.092 ( -0.636 0.000 -1.489) 1.620 7.184 ( 0.619 0.000 -2.389) 2.468 7.243 ( -3.054 0.000 3.150) 4.388 7.391 ( -2.327 0.000 1.844) 2.969 7.413 ( 4.375 0.000 -2.187) 4.891 7.813 ( 3.298 0.000 -1.461) 3.607 7.823 ( 4.316 0.000 0.310) 4.327 7.978 ( 1.139 0.000 1.982) 2.286 8.002 ( 1.850 0.000 0.260) 1.868 8.277 ( -2.039 0.000 -6.976) 7.268 8.383 ( -2.278 0.000 6.093) 6.505 8.396 ( -0.652 0.000 -3.971) 4.024 8.497 ( -2.667 0.000 -3.294) 4.239 8.522 ( 2.576 0.000 2.629) 3.680 8.633 ( -2.202 0.000 6.582) 6.940 8.926 ( -2.519 0.000 1.863) 3.133 8.939 ( -0.057 0.000 -1.425) 1.426 9.481 ( 1.665 0.000 -1.627) 2.328 9.481 ( 0.283 0.000 2.582) 2.598 9.961 ( -2.109 0.000 -0.053) 2.110 9.992 ( -0.462 0.000 -0.241) 0.521 10.299 ( -6.050 0.000 -1.587) 6.255 10.471 ( 3.321 0.000 -5.726) 6.619 10.796 ( -1.273 0.000 0.618) 1.416 10.904 ( 4.582 0.000 -1.272) 4.756 10.992 ( -3.128 0.000 -6.325) 7.056 11.167 ( -0.147 0.000 -0.336) 0.367 11.250 ( -1.724 0.000 4.451) 4.773 11.311 ( 0.176 0.000 -5.498) 5.501 11.400 ( 4.967 0.000 1.503) 5.189 11.490 ( 4.848 0.000 0.487) 4.873 11.747 ( -8.276 0.000 3.321) 8.918 12.005 ( 0.107 0.000 6.122) 6.123 12.203 ( -11.769 0.000 8.108) 14.292 12.392 ( -3.110 0.000 -4.972) 5.865 12.533 ( -0.142 0.000 3.071) 3.074 12.672 ( 8.883 0.000 3.878) 9.692 12.726 ( 0.325 0.000 -2.382) 2.404 12.826 ( -1.103 0.000 3.371) 3.547 13.013 ( -4.387 0.000 0.212) 4.393 13.166 ( 7.163 0.000 -5.841) 9.242 13.368 ( -2.538 0.000 -2.758) 3.748 13.371 ( 1.989 0.000 1.480) 2.479 13.698 ( -3.489 0.000 0.618) 3.544 13.789 ( 8.316 0.000 5.987) 10.247 15.948 ( -3.440 0.000 -2.597) 4.310 15.978 ( -1.447 0.000 0.969) 1.741 16.377 ( -1.699 0.000 -0.361) 1.737 16.386 ( -1.728 0.000 0.233) 1.743 21.285 ( -3.133 0.000 -4.942) 5.851 21.430 ( -0.030 0.000 5.477) 5.477 21.622 ( -18.405 0.000 -7.859) 20.013 21.736 ( -6.427 0.000 -2.039) 6.742 22.656 ( 4.530 0.000 -2.676) 5.261 22.656 ( 0.571 0.000 4.379) 4.416 22.913 ( 0.459 0.000 -3.947) 3.974 23.013 ( 0.423 0.000 2.333) 2.371 23.189 ( 0.241 0.000 4.837) 4.843 23.265 ( 0.966 0.000 -3.432) 3.565 23.402 ( -0.137 0.000 4.728) 4.730 23.510 ( 3.191 0.000 -2.539) 4.079 23.664 ( 0.842 0.000 -1.697) 1.894 23.705 ( -0.316 0.000 0.984) 1.033 23.932 ( -1.810 0.000 -5.882) 6.154 23.936 ( 1.124 0.000 -1.204) 1.647 24.126 ( -4.710 0.000 1.200) 4.861 24.324 ( 2.954 0.000 -1.052) 3.136 24.639 ( -4.480 0.000 -2.902) 5.338 24.761 ( -0.494 0.000 -1.703) 1.773 24.913 ( -0.429 0.000 -1.884) 1.932 24.966 ( -11.117 0.000 3.249) 11.582 25.160 ( 2.428 0.000 -0.058) 2.429 25.249 ( -0.856 0.000 0.367) 0.932 25.348 ( 0.787 0.000 1.218) 1.450 25.364 ( 5.443 0.000 -1.996) 5.798 25.498 ( 11.248 0.000 1.345) 11.329 25.842 ( 20.702 0.000 12.819) 24.349 ======================= Grid point 150 (67/88) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 16.035 0.000 -8.710) 18.248 1.171 ( 22.868 0.000 -12.755) 26.185 1.271 ( 5.286 0.000 10.397) 11.663 1.360 ( 9.007 0.000 10.698) 13.985 1.768 ( 26.746 0.000 -15.289) 30.807 1.879 ( -9.146 0.000 -1.438) 9.259 2.064 ( 4.498 0.000 1.917) 4.889 2.195 ( 5.309 0.000 6.956) 8.751 2.363 ( 2.094 0.000 -4.829) 5.263 2.429 ( 1.063 0.000 -0.674) 1.258 2.488 ( -5.676 0.000 2.328) 6.135 2.525 ( 5.437 0.000 -1.310) 5.593 2.571 ( -0.022 0.000 2.414) 2.414 2.688 ( -12.676 0.000 -2.557) 12.931 2.799 ( -0.968 0.000 -4.069) 4.182 2.849 ( 2.043 0.000 2.107) 2.934 2.870 ( 1.709 0.000 -2.023) 2.649 2.915 ( -2.483 0.000 7.054) 7.478 2.999 ( -3.180 0.000 0.296) 3.194 3.046 ( -1.551 0.000 -0.339) 1.588 3.146 ( -0.808 0.000 3.580) 3.670 3.249 ( 3.397 0.000 -1.986) 3.935 3.342 ( -3.430 0.000 3.024) 4.573 3.398 ( 3.710 0.000 9.948) 10.617 3.483 ( 1.047 0.000 0.892) 1.375 3.564 ( 5.416 0.000 -7.048) 8.889 3.651 ( 2.223 0.000 -2.895) 3.650 3.667 ( 5.489 0.000 2.015) 5.847 3.904 ( 2.846 0.000 1.334) 3.143 3.921 ( -1.379 0.000 -0.793) 1.591 4.025 ( -3.343 0.000 -3.294) 4.693 4.076 ( -2.541 0.000 5.761) 6.296 4.157 ( 3.299 0.000 -4.349) 5.459 4.307 ( 5.637 0.000 -4.399) 7.151 4.361 ( 0.302 0.000 3.075) 3.089 4.531 ( 4.889 0.000 0.881) 4.968 4.578 ( 0.643 0.000 -1.246) 1.402 4.605 ( 0.387 0.000 -2.602) 2.631 4.736 ( -8.317 0.000 -1.118) 8.392 4.970 ( -1.721 0.000 0.459) 1.781 5.041 ( 4.661 0.000 -7.322) 8.680 5.195 ( -2.506 0.000 -10.302) 10.602 5.249 ( -1.569 0.000 13.116) 13.210 5.336 ( 2.215 0.000 -1.325) 2.581 5.342 ( -3.423 0.000 5.075) 6.122 5.549 ( -5.902 0.000 2.204) 6.300 5.834 ( -2.758 0.000 -0.270) 2.771 5.888 ( -4.080 0.000 3.963) 5.688 6.204 ( -7.460 0.000 5.008) 8.986 6.281 ( 1.513 0.000 -11.359) 11.459 6.300 ( -0.145 0.000 -1.471) 1.478 6.670 ( -1.572 0.000 4.917) 5.162 6.744 ( -9.562 0.000 -0.308) 9.567 6.797 ( -1.783 0.000 1.896) 2.603 6.973 ( -2.261 0.000 -0.461) 2.307 7.060 ( -0.879 0.000 -3.543) 3.651 7.195 ( 1.618 0.000 -1.420) 2.153 7.215 ( -2.663 0.000 3.624) 4.498 7.348 ( -3.615 0.000 2.765) 4.551 7.491 ( 5.359 0.000 -0.847) 5.425 7.830 ( 0.426 0.000 -4.574) 4.594 7.899 ( 3.152 0.000 0.425) 3.181 8.035 ( 1.934 0.000 0.073) 1.935 8.040 ( 3.407 0.000 3.779) 5.089 8.209 ( -0.468 0.000 -4.565) 4.589 8.337 ( -2.732 0.000 -4.425) 5.201 8.383 ( -1.991 0.000 4.536) 4.953 8.445 ( -0.953 0.000 -2.261) 2.453 8.535 ( -1.751 0.000 -0.400) 1.796 8.639 ( -1.537 0.000 4.573) 4.825 8.860 ( -5.880 0.000 1.351) 6.033 8.916 ( -0.805 0.000 -2.424) 2.554 9.494 ( 1.930 0.000 -3.119) 3.667 9.511 ( 0.450 0.000 3.373) 3.403 9.925 ( -1.900 0.000 0.831) 2.074 9.976 ( -0.521 0.000 -1.360) 1.456 10.271 ( 3.524 0.000 0.282) 3.535 10.485 ( 2.640 0.000 -3.861) 4.677 10.804 ( 1.245 0.000 1.886) 2.260 10.910 ( -2.164 0.000 -3.402) 4.032 10.969 ( 4.416 0.000 -3.610) 5.704 11.125 ( -2.720 0.000 -0.808) 2.837 11.266 ( 0.051 0.000 1.268) 1.269 11.277 ( 0.384 0.000 -4.833) 4.848 11.524 ( 7.259 0.000 1.477) 7.408 11.575 ( 4.171 0.000 1.768) 4.530 11.686 ( -3.055 0.000 5.646) 6.420 12.018 ( -2.300 0.000 3.752) 4.401 12.086 ( -8.050 0.000 6.247) 10.189 12.302 ( -2.189 0.000 -7.044) 7.377 12.534 ( -1.975 0.000 3.742) 4.231 12.676 ( -9.022 0.000 -0.229) 9.025 12.750 ( 3.487 0.000 -0.930) 3.609 12.891 ( 5.959 0.000 5.722) 8.262 12.938 ( -1.928 0.000 -5.376) 5.711 13.243 ( 6.187 0.000 -5.955) 8.587 13.283 ( -2.561 0.000 -1.725) 3.088 13.389 ( -1.572 0.000 -1.525) 2.190 13.639 ( -2.743 0.000 2.615) 3.790 13.950 ( 1.323 0.000 6.565) 6.697 15.879 ( -0.311 0.000 -4.294) 4.305 15.965 ( -1.042 0.000 1.537) 1.857 16.337 ( -2.403 0.000 -0.557) 2.466 16.347 ( -2.849 0.000 0.513) 2.895 21.180 ( -4.789 0.000 -3.968) 6.220 21.318 ( -6.254 0.000 -7.061) 9.432 21.443 ( -2.101 0.000 2.908) 3.588 21.619 ( -5.585 0.000 -1.124) 5.697 22.705 ( 0.880 0.000 5.208) 5.282 22.728 ( 5.753 0.000 -2.985) 6.481 22.914 ( 2.522 0.000 -2.813) 3.779 23.019 ( -0.659 0.000 1.266) 1.427 23.228 ( -0.892 0.000 -4.562) 4.648 23.246 ( 1.021 0.000 4.446) 4.562 23.449 ( -0.485 0.000 6.777) 6.794 23.480 ( -0.714 0.000 -5.274) 5.322 23.700 ( 1.740 0.000 -0.665) 1.863 23.707 ( -0.222 0.000 0.938) 0.963 23.859 ( -1.882 0.000 -3.705) 4.156 24.021 ( 3.128 0.000 2.593) 4.063 24.040 ( -3.546 0.000 1.790) 3.972 24.305 ( -2.749 0.000 -2.635) 3.808 24.585 ( -0.000 0.000 -1.926) 1.926 24.719 ( -3.158 0.000 1.376) 3.445 24.888 ( -0.599 0.000 0.594) 0.843 24.910 ( 0.559 0.000 -0.455) 0.721 25.188 ( 1.491 0.000 -0.682) 1.639 25.245 ( 0.049 0.000 0.362) 0.365 25.382 ( 1.680 0.000 1.455) 2.222 25.429 ( 4.040 0.000 -2.714) 4.868 25.719 ( 11.898 0.000 -0.289) 11.902 26.153 ( 4.978 0.000 10.136) 11.293 ======================= Grid point 151 (68/88) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 20.575 0.000 6.808) 21.672 1.448 ( 10.148 0.000 0.998) 10.197 1.489 ( 18.461 0.000 -6.046) 19.426 1.565 ( 7.049 0.000 5.538) 8.964 1.763 ( -0.166 0.000 -1.485) 1.494 1.988 ( 6.919 0.000 -5.310) 8.722 2.204 ( 6.829 0.000 -0.019) 6.830 2.240 ( -1.077 0.000 0.787) 1.334 2.342 ( -1.732 0.000 -0.691) 1.865 2.408 ( -1.818 0.000 -5.009) 5.329 2.467 ( -2.118 0.000 3.338) 3.953 2.487 ( -4.662 0.000 -0.106) 4.663 2.584 ( -0.382 0.000 0.522) 0.647 2.633 ( 3.582 0.000 -0.358) 3.600 2.767 ( -6.431 0.000 -3.760) 7.449 2.812 ( 2.756 0.000 2.514) 3.731 2.877 ( -0.617 0.000 0.873) 1.069 2.958 ( 1.086 0.000 0.955) 1.446 3.006 ( -4.698 0.000 8.205) 9.454 3.009 ( 3.625 0.000 0.710) 3.693 3.120 ( -1.779 0.000 -3.096) 3.570 3.299 ( 4.298 0.000 -2.254) 4.853 3.305 ( -2.429 0.000 3.319) 4.113 3.540 ( 3.355 0.000 2.314) 4.075 3.542 ( 4.074 0.000 1.681) 4.408 3.611 ( 7.128 0.000 -10.904) 13.027 3.686 ( 3.943 0.000 -2.502) 4.670 3.778 ( -1.464 0.000 7.226) 7.373 3.912 ( 5.372 0.000 2.508) 5.928 3.932 ( -0.821 0.000 0.487) 0.954 3.968 ( 1.347 0.000 -3.897) 4.124 4.067 ( -3.756 0.000 7.147) 8.074 4.205 ( 6.473 0.000 -3.033) 7.149 4.330 ( 1.664 0.000 -4.592) 4.884 4.414 ( 0.996 0.000 5.606) 5.694 4.529 ( -5.546 0.000 -2.010) 5.899 4.563 ( -3.503 0.000 -2.678) 4.409 4.583 ( 2.609 0.000 -2.978) 3.959 4.696 ( 5.250 0.000 -1.302) 5.409 4.873 ( -7.605 0.000 2.232) 7.926 5.064 ( -2.123 0.000 -1.979) 2.902 5.141 ( 7.403 0.000 -10.100) 12.522 5.230 ( -7.986 0.000 3.573) 8.749 5.363 ( 1.817 0.000 2.267) 2.905 5.366 ( 0.887 0.000 1.164) 1.463 5.506 ( -2.508 0.000 6.107) 6.602 5.763 ( -4.921 0.000 -0.170) 4.924 5.806 ( -7.606 0.000 2.957) 8.161 6.099 ( -7.574 0.000 4.357) 8.738 6.220 ( 0.702 0.000 -10.262) 10.286 6.321 ( 1.966 0.000 1.957) 2.774 6.622 ( -5.010 0.000 2.777) 5.728 6.631 ( -3.423 0.000 -0.302) 3.436 6.802 ( -0.066 0.000 -0.479) 0.484 6.925 ( -2.562 0.000 -0.169) 2.568 7.029 ( -0.663 0.000 0.276) 0.718 7.168 ( -4.481 0.000 -0.535) 4.513 7.207 ( 0.500 0.000 -0.869) 1.003 7.348 ( -0.411 0.000 7.778) 7.788 7.580 ( 5.660 0.000 -2.976) 6.395 7.768 ( -2.852 0.000 -3.545) 4.549 7.933 ( 0.585 0.000 0.706) 0.917 8.067 ( 1.772 0.000 -0.898) 1.987 8.141 ( 3.502 0.000 4.555) 5.746 8.195 ( 1.311 0.000 -1.363) 1.891 8.236 ( -4.326 0.000 -4.302) 6.101 8.381 ( -1.220 0.000 2.215) 2.529 8.428 ( 0.906 0.000 -2.354) 2.522 8.488 ( -2.491 0.000 -1.452) 2.883 8.620 ( -3.006 0.000 0.001) 3.006 8.774 ( -5.107 0.000 4.105) 6.552 8.878 ( -0.962 0.000 -3.464) 3.595 9.508 ( 2.990 0.000 -4.697) 5.567 9.541 ( -0.571 0.000 4.441) 4.477 9.911 ( -0.707 0.000 1.470) 1.631 9.958 ( -0.090 0.000 -1.929) 1.931 10.383 ( 6.060 0.000 3.917) 7.216 10.511 ( 3.253 0.000 -2.971) 4.405 10.844 ( -1.619 0.000 1.602) 2.278 10.885 ( 3.261 0.000 1.359) 3.533 10.984 ( 1.217 0.000 -7.505) 7.603 11.092 ( -0.810 0.000 2.334) 2.470 11.248 ( -0.160 0.000 -3.820) 3.823 11.261 ( -0.650 0.000 -1.726) 1.844 11.666 ( 7.466 0.000 0.696) 7.499 11.669 ( 5.063 0.000 1.532) 5.290 11.700 ( -0.612 0.000 6.039) 6.070 11.989 ( -3.441 0.000 2.360) 4.173 12.006 ( -5.548 0.000 4.768) 7.316 12.201 ( -2.495 0.000 -9.482) 9.804 12.514 ( -5.886 0.000 -2.236) 6.297 12.537 ( -1.459 0.000 5.686) 5.871 12.812 ( 3.411 0.000 -1.110) 3.587 12.863 ( -2.459 0.000 -4.260) 4.918 13.042 ( 5.597 0.000 6.028) 8.226 13.260 ( -0.405 0.000 1.039) 1.115 13.265 ( -4.215 0.000 -1.207) 4.385 13.311 ( 1.806 0.000 -7.877) 8.082 13.659 ( 1.079 0.000 4.382) 4.513 13.939 ( -4.031 0.000 0.116) 4.033 15.878 ( 2.476 0.000 -2.295) 3.376 15.963 ( -0.569 0.000 1.470) 1.576 16.288 ( -2.359 0.000 -0.893) 2.523 16.297 ( -3.274 0.000 0.938) 3.406 21.108 ( -1.528 0.000 0.978) 1.814 21.242 ( -1.052 0.000 -0.330) 1.102 21.399 ( -3.744 0.000 -0.701) 3.809 21.514 ( -4.836 0.000 -2.646) 5.512 22.761 ( 1.041 0.000 5.166) 5.270 22.807 ( 5.494 0.000 -3.334) 6.426 22.958 ( 3.431 0.000 -0.019) 3.431 23.013 ( -0.817 0.000 0.887) 1.206 23.178 ( -0.597 0.000 -4.842) 4.878 23.285 ( 1.268 0.000 0.791) 1.494 23.429 ( -1.466 0.000 -3.626) 3.911 23.470 ( -3.083 0.000 7.170) 7.805 23.706 ( -0.126 0.000 -0.671) 0.683 23.714 ( 0.254 0.000 0.741) 0.783 23.819 ( -0.526 0.000 -1.209) 1.318 23.941 ( -4.705 0.000 0.791) 4.771 24.126 ( 2.812 0.000 1.462) 3.169 24.222 ( -3.499 0.000 -2.917) 4.555 24.594 ( 1.447 0.000 -0.066) 1.448 24.687 ( -1.589 0.000 1.003) 1.879 24.903 ( 1.515 0.000 -0.321) 1.549 24.920 ( 0.656 0.000 0.020) 0.656 25.212 ( 1.643 0.000 -0.181) 1.653 25.253 ( 0.354 0.000 0.512) 0.622 25.422 ( 1.468 0.000 1.548) 2.133 25.466 ( 2.703 0.000 -3.192) 4.182 25.904 ( 9.079 0.000 0.321) 9.085 26.226 ( -0.690 0.000 3.075) 3.152 ======================= Grid point 152 (69/88) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 4.794 0.000 -3.351) 5.850 1.625 ( 6.535 0.000 6.378) 9.131 1.705 ( 11.538 0.000 2.522) 11.810 1.720 ( 12.924 0.000 7.039) 14.716 1.923 ( 15.811 0.000 -3.943) 16.295 1.999 ( 0.438 0.000 -4.724) 4.745 2.215 ( -0.830 0.000 -2.143) 2.299 2.234 ( -6.582 0.000 6.324) 9.128 2.303 ( -3.557 0.000 -7.661) 8.446 2.330 ( -0.692 0.000 1.222) 1.404 2.393 ( -2.376 0.000 4.590) 5.168 2.538 ( -4.178 0.000 -4.718) 6.302 2.546 ( 2.647 0.000 0.855) 2.781 2.650 ( -4.466 0.000 0.554) 4.501 2.662 ( 2.101 0.000 1.275) 2.458 2.820 ( -2.295 0.000 -2.084) 3.100 2.835 ( -3.524 0.000 -1.638) 3.886 2.922 ( -10.142 0.000 6.704) 12.158 2.923 ( -1.217 0.000 5.738) 5.865 3.052 ( -1.785 0.000 -5.422) 5.708 3.208 ( 6.959 0.000 -2.282) 7.324 3.341 ( 0.886 0.000 -3.043) 3.169 3.386 ( 11.553 0.000 3.189) 11.985 3.507 ( 1.575 0.000 -10.030) 10.153 3.625 ( 1.921 0.000 2.720) 3.330 3.674 ( 4.289 0.000 -2.033) 4.746 3.750 ( 4.114 0.000 0.145) 4.117 3.786 ( -1.832 0.000 5.328) 5.634 3.900 ( -2.054 0.000 1.357) 2.462 3.947 ( -0.313 0.000 -1.638) 1.667 4.067 ( -0.628 0.000 5.801) 5.835 4.124 ( 9.783 0.000 2.764) 10.166 4.322 ( 2.731 0.000 -7.122) 7.628 4.329 ( 3.775 0.000 5.499) 6.670 4.410 ( -6.633 0.000 -6.074) 8.994 4.426 ( -4.586 0.000 -0.820) 4.659 4.501 ( 3.149 0.000 3.959) 5.059 4.620 ( 3.102 0.000 -1.986) 3.683 4.772 ( 4.073 0.000 -3.386) 5.296 4.783 ( -3.576 0.000 2.319) 4.262 4.993 ( -3.618 0.000 -1.678) 3.988 5.077 ( -9.393 0.000 0.639) 9.415 5.220 ( 7.002 0.000 -5.511) 8.911 5.360 ( -3.545 0.000 2.627) 4.412 5.430 ( 4.126 0.000 1.421) 4.363 5.514 ( -0.806 0.000 2.792) 2.907 5.669 ( -4.586 0.000 -1.340) 4.778 5.687 ( -7.504 0.000 2.938) 8.059 6.032 ( -3.701 0.000 6.076) 7.115 6.145 ( -1.179 0.000 -8.954) 9.032 6.390 ( 3.174 0.000 3.856) 4.994 6.562 ( -3.203 0.000 -2.538) 4.086 6.612 ( -0.281 0.000 6.638) 6.644 6.765 ( -0.598 0.000 -7.351) 7.375 6.895 ( 0.068 0.000 -0.969) 0.971 7.012 ( -5.328 0.000 3.240) 6.236 7.104 ( 0.403 0.000 0.123) 0.422 7.195 ( -1.102 0.000 -1.122) 1.572 7.421 ( 0.980 0.000 8.778) 8.833 7.589 ( 0.143 0.000 -9.642) 9.643 7.757 ( 2.874 0.000 3.074) 4.209 7.932 ( -2.199 0.000 1.440) 2.629 8.080 ( 0.533 0.000 -1.216) 1.327 8.109 ( -3.280 0.000 -3.695) 4.940 8.221 ( 2.412 0.000 0.659) 2.501 8.264 ( 3.336 0.000 5.019) 6.026 8.358 ( -2.495 0.000 -0.699) 2.591 8.424 ( -2.820 0.000 -2.839) 4.002 8.441 ( 2.523 0.000 -2.329) 3.433 8.546 ( -4.086 0.000 -0.677) 4.142 8.753 ( -1.820 0.000 5.918) 6.192 8.832 ( -0.874 0.000 -4.459) 4.544 9.529 ( 3.560 0.000 -5.504) 6.555 9.554 ( -2.057 0.000 5.344) 5.726 9.918 ( -0.010 0.000 1.719) 1.719 9.944 ( 0.131 0.000 -1.975) 1.980 10.513 ( 4.317 0.000 4.551) 6.273 10.552 ( 3.516 0.000 -2.787) 4.486 10.814 ( -1.864 0.000 1.881) 2.648 10.915 ( -2.350 0.000 -6.363) 6.783 10.993 ( 5.208 0.000 4.400) 6.818 11.120 ( 1.382 0.000 2.170) 2.573 11.212 ( -1.259 0.000 -2.413) 2.722 11.213 ( -2.126 0.000 -4.535) 5.009 11.747 ( 0.037 0.000 7.451) 7.451 11.772 ( 5.524 0.000 0.700) 5.568 11.776 ( 5.231 0.000 -2.897) 5.979 11.936 ( -4.408 0.000 2.402) 5.020 11.965 ( -2.254 0.000 2.929) 3.695 12.076 ( -3.770 0.000 -7.973) 8.819 12.475 ( 3.354 0.000 -2.358) 4.100 12.566 ( -1.661 0.000 8.575) 8.735 12.788 ( -3.222 0.000 -1.921) 3.751 12.808 ( -1.814 0.000 -5.487) 5.779 13.163 ( 3.210 0.000 4.585) 5.597 13.181 ( -2.180 0.000 1.752) 2.797 13.263 ( -0.617 0.000 1.335) 1.471 13.306 ( 2.309 0.000 -7.588) 7.932 13.716 ( 1.574 0.000 3.926) 4.230 13.851 ( -4.081 0.000 -2.439) 4.754 15.915 ( 2.876 0.000 -1.326) 3.167 15.963 ( -0.777 0.000 1.333) 1.543 16.246 ( -1.290 0.000 -1.328) 1.851 16.251 ( -2.674 0.000 1.331) 2.987 21.129 ( 1.117 0.000 4.650) 4.782 21.254 ( 0.969 0.000 3.138) 3.284 21.309 ( -4.201 0.000 -3.902) 5.734 21.409 ( -3.913 0.000 -4.349) 5.850 22.817 ( 0.993 0.000 4.653) 4.758 22.860 ( 3.214 0.000 -3.758) 4.945 23.009 ( -0.003 0.000 0.415) 0.415 23.017 ( 1.252 0.000 2.418) 2.723 23.152 ( 2.170 0.000 -3.779) 4.357 23.289 ( -0.919 0.000 -3.268) 3.395 23.386 ( -0.281 0.000 -1.036) 1.073 23.450 ( -4.338 0.000 5.618) 7.098 23.701 ( -0.041 0.000 0.302) 0.305 23.719 ( -0.241 0.000 0.134) 0.275 23.822 ( 0.774 0.000 0.993) 1.259 23.884 ( -2.224 0.000 -0.213) 2.234 24.150 ( -0.029 0.000 -0.535) 0.535 24.157 ( -1.483 0.000 -2.167) 2.626 24.625 ( 1.557 0.000 0.662) 1.692 24.671 ( -1.022 0.000 0.397) 1.096 24.925 ( 1.164 0.000 -0.486) 1.261 24.931 ( 0.417 0.000 0.258) 0.491 25.240 ( 1.454 0.000 0.082) 1.457 25.261 ( 0.043 0.000 0.558) 0.559 25.454 ( 0.653 0.000 1.816) 1.930 25.478 ( 1.397 0.000 -3.143) 3.440 26.045 ( 6.361 0.000 1.095) 6.455 26.207 ( -2.346 0.000 -0.161) 2.352 ======================= Grid point 153 (70/88) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -2.653 0.000 0.150) 2.657 1.632 ( 2.653 0.000 -0.150) 2.657 1.919 ( -8.015 0.000 -2.741) 8.471 1.919 ( 8.015 0.000 2.741) 8.471 2.033 ( -6.485 0.000 -9.416) 11.433 2.033 ( 6.485 0.000 9.416) 11.433 2.150 ( 4.626 0.000 -8.254) 9.462 2.150 ( -4.626 0.000 8.254) 9.462 2.283 ( -4.991 0.000 0.935) 5.077 2.283 ( 4.991 0.000 -0.935) 5.077 2.427 ( -0.493 0.000 -8.567) 8.581 2.427 ( 0.493 0.000 8.567) 8.581 2.591 ( 3.645 0.000 -1.600) 3.981 2.591 ( -3.645 0.000 1.600) 3.981 2.743 ( -5.453 0.000 -0.407) 5.468 2.743 ( 5.453 0.000 0.407) 5.468 2.810 ( 5.376 0.000 -4.154) 6.794 2.810 ( -5.376 0.000 4.154) 6.794 2.980 ( -1.221 0.000 -6.736) 6.846 2.980 ( 1.221 0.000 6.736) 6.846 3.278 ( -3.463 0.000 -1.967) 3.982 3.278 ( 3.463 0.000 1.967) 3.982 3.529 ( 4.293 0.000 -7.709) 8.824 3.529 ( -4.293 0.000 7.709) 8.824 3.664 ( -4.635 0.000 1.416) 4.847 3.664 ( 4.635 0.000 -1.416) 4.847 3.795 ( 0.220 0.000 -0.695) 0.729 3.795 ( -0.220 0.000 0.695) 0.729 3.915 ( -1.612 0.000 -1.614) 2.281 3.915 ( 1.612 0.000 1.614) 2.281 4.184 ( -8.783 0.000 -4.214) 9.742 4.184 ( 8.783 0.000 4.214) 9.742 4.290 ( -2.461 0.000 -4.938) 5.517 4.290 ( 2.461 0.000 4.938) 5.517 4.369 ( 0.949 0.000 -3.691) 3.812 4.369 ( -0.949 0.000 3.691) 3.812 4.622 ( -4.295 0.000 0.616) 4.339 4.622 ( 4.295 0.000 -0.616) 4.339 4.779 ( 0.869 0.000 -4.591) 4.672 4.779 ( -0.869 0.000 4.591) 4.672 4.960 ( -2.762 0.000 0.691) 2.847 4.960 ( 2.762 0.000 -0.691) 2.847 5.295 ( 5.682 0.000 -3.803) 6.838 5.295 ( -5.682 0.000 3.803) 6.838 5.506 ( -1.503 0.000 -2.253) 2.708 5.506 ( 1.503 0.000 2.253) 2.708 5.615 ( 2.332 0.000 -4.349) 4.935 5.615 ( -2.332 0.000 4.349) 4.935 6.060 ( -0.533 0.000 -7.937) 7.954 6.060 ( 0.533 0.000 7.937) 7.954 6.479 ( -3.445 0.000 -3.770) 5.107 6.479 ( 3.445 0.000 3.770) 5.107 6.685 ( -1.011 0.000 -9.268) 9.323 6.685 ( 1.011 0.000 9.268) 9.323 6.926 ( 4.704 0.000 -1.844) 5.053 6.926 ( -4.704 0.000 1.844) 5.053 7.151 ( -2.403 0.000 -1.857) 3.037 7.151 ( 2.403 0.000 1.857) 3.037 7.504 ( -1.070 0.000 -8.972) 9.036 7.504 ( 1.070 0.000 8.972) 9.036 7.858 ( -5.464 0.000 -1.411) 5.643 7.858 ( 5.464 0.000 1.411) 5.643 8.074 ( 0.296 0.000 -0.217) 0.367 8.074 ( -0.296 0.000 0.217) 0.367 8.286 ( -3.701 0.000 -1.965) 4.190 8.286 ( 3.701 0.000 1.965) 4.190 8.351 ( -2.554 0.000 -4.331) 5.028 8.351 ( 2.554 0.000 4.331) 5.028 8.481 ( 3.545 0.000 -1.375) 3.802 8.481 ( -3.545 0.000 1.375) 3.802 8.784 ( -0.231 0.000 -5.394) 5.399 8.784 ( 0.231 0.000 5.394) 5.399 9.548 ( 3.198 0.000 -5.713) 6.547 9.548 ( -3.198 0.000 5.713) 6.547 9.932 ( 0.039 0.000 -1.850) 1.851 9.932 ( -0.039 0.000 1.850) 1.851 10.576 ( 0.908 0.000 -3.421) 3.540 10.576 ( -0.908 0.000 3.421) 3.540 10.832 ( -1.620 0.000 -4.312) 4.606 10.832 ( 1.620 0.000 4.312) 4.606 11.114 ( -4.707 0.000 -3.128) 5.651 11.114 ( 4.707 0.000 3.128) 5.651 11.170 ( -2.332 0.000 0.233) 2.344 11.170 ( 2.332 0.000 -0.233) 2.344 11.795 ( 1.832 0.000 -8.166) 8.369 11.795 ( -1.832 0.000 8.166) 8.369 11.868 ( -5.265 0.000 1.542) 5.487 11.868 ( 5.265 0.000 -1.542) 5.487 11.979 ( -1.790 0.000 -3.098) 3.578 11.979 ( 1.790 0.000 3.098) 3.578 12.557 ( 7.403 0.000 -7.079) 10.244 12.557 ( -7.403 0.000 7.079) 10.244 12.741 ( 1.645 0.000 -4.322) 4.625 12.741 ( -1.645 0.000 4.322) 4.625 13.198 ( -0.534 0.000 -1.899) 1.973 13.198 ( 0.534 0.000 1.899) 1.973 13.276 ( 0.617 0.000 -6.256) 6.287 13.276 ( -0.617 0.000 6.256) 6.287 13.774 ( -2.292 0.000 -3.079) 3.838 13.774 ( 2.292 0.000 3.079) 3.838 15.949 ( 1.913 0.000 -1.256) 2.288 15.949 ( -1.913 0.000 1.256) 2.288 16.230 ( 0.825 0.000 -1.552) 1.757 16.230 ( -0.825 0.000 1.552) 1.757 21.206 ( -3.099 0.000 -5.426) 6.248 21.206 ( 3.099 0.000 5.426) 6.248 21.317 ( -2.617 0.000 -4.694) 5.374 21.317 ( 2.617 0.000 4.694) 5.374 22.859 ( 0.175 0.000 -4.123) 4.127 22.859 ( -0.175 0.000 4.123) 4.127 23.022 ( 1.258 0.000 -0.655) 1.418 23.022 ( -1.258 0.000 0.655) 1.418 23.211 ( -4.626 0.000 -1.122) 4.760 23.211 ( 4.626 0.000 1.122) 4.760 23.409 ( 3.645 0.000 -3.039) 4.746 23.409 ( -3.645 0.000 3.039) 4.746 23.709 ( -0.471 0.000 -0.561) 0.733 23.709 ( 0.471 0.000 0.561) 0.733 23.850 ( -1.187 0.000 -1.374) 1.816 23.850 ( 1.187 0.000 1.374) 1.816 24.140 ( 0.387 0.000 -0.313) 0.498 24.140 ( -0.387 0.000 0.313) 0.498 24.653 ( -1.183 0.000 -0.226) 1.204 24.653 ( 1.183 0.000 0.226) 1.204 24.935 ( 0.298 0.000 -0.420) 0.515 24.935 ( -0.298 0.000 0.420) 0.515 25.259 ( 0.684 0.000 -0.234) 0.723 25.259 ( -0.684 0.000 0.234) 0.723 25.472 ( 0.337 0.000 -2.487) 2.510 25.472 ( -0.337 0.000 2.487) 2.510 26.145 ( -4.036 0.000 -1.179) 4.205 26.145 ( 4.036 0.000 1.179) 4.205 ======================= Grid point 159 (71/88) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -0.941 -3.059 -20.067) 20.321 0.771 ( 0.941 -3.059 20.067) 20.321 1.160 ( 3.229 10.307 -21.997) 24.506 1.160 ( -3.229 10.307 21.997) 24.506 1.698 ( 0.707 18.897 -25.337) 31.616 1.698 ( -0.707 18.897 25.337) 31.616 2.066 ( 4.190 -5.932 -6.407) 9.684 2.066 ( -4.190 -5.932 6.407) 9.684 2.222 ( 0.510 -10.049 -8.151) 12.949 2.222 ( -0.510 -10.049 8.151) 12.949 2.537 ( 2.004 -6.361 -3.018) 7.320 2.537 ( -2.004 -6.361 3.018) 7.320 2.645 ( 3.007 -4.150 -3.898) 6.439 2.645 ( -3.007 -4.150 3.898) 6.439 2.808 ( -2.865 -3.106 -3.242) 5.326 2.808 ( 2.865 -3.106 3.242) 5.326 2.929 ( -0.535 -4.267 -1.526) 4.563 2.929 ( 0.535 -4.267 1.526) 4.563 3.048 ( 3.352 1.078 -4.659) 5.840 3.048 ( -3.352 1.078 4.659) 5.840 3.137 ( -1.471 -1.203 -4.810) 5.172 3.137 ( 1.471 -1.203 4.810) 5.172 3.331 ( 0.418 -2.295 -3.758) 4.423 3.331 ( -0.418 -2.295 3.758) 4.423 3.484 ( 0.055 1.446 -3.765) 4.033 3.484 ( -0.055 1.446 3.765) 4.033 3.724 ( -3.288 0.885 -0.369) 3.425 3.724 ( 3.288 0.885 0.369) 3.425 3.879 ( -7.476 0.270 0.130) 7.482 3.879 ( 7.476 0.270 -0.130) 7.482 3.996 ( -2.664 -1.086 -0.106) 2.879 3.996 ( 2.664 -1.086 0.106) 2.879 4.165 ( 6.151 3.071 -5.135) 8.581 4.165 ( -6.151 3.071 5.135) 8.581 4.435 ( -1.952 -2.982 -1.215) 3.765 4.435 ( 1.952 -2.982 1.215) 3.765 4.512 ( -2.757 -0.213 -0.497) 2.810 4.512 ( 2.757 -0.213 0.497) 2.810 4.786 ( 2.152 -8.223 -7.456) 11.307 4.786 ( -2.152 -8.223 7.456) 11.307 5.029 ( 2.227 -6.589 -7.324) 10.100 5.029 ( -2.227 -6.589 7.324) 10.100 5.363 ( 3.090 2.605 -6.729) 7.850 5.363 ( -3.090 2.605 6.729) 7.850 5.535 ( -0.789 -2.259 -5.787) 6.262 5.535 ( 0.789 -2.259 5.787) 6.262 5.950 ( 0.770 3.718 -6.719) 7.717 5.950 ( -0.770 3.718 6.719) 7.717 6.397 ( 4.183 8.593 -5.405) 10.979 6.397 ( -4.183 8.593 5.405) 10.979 6.512 ( -3.042 3.291 -6.219) 7.666 6.512 ( 3.042 3.291 6.219) 7.666 6.974 ( 1.005 1.912 -3.396) 4.025 6.974 ( -1.005 1.912 3.396) 4.025 7.044 ( -2.242 -3.729 -0.381) 4.368 7.044 ( 2.242 -3.729 0.381) 4.368 7.188 ( -0.896 -2.252 -3.032) 3.882 7.188 ( 0.896 -2.252 3.032) 3.882 7.434 ( -2.589 -0.357 -2.714) 3.767 7.434 ( 2.589 -0.357 2.714) 3.767 7.785 ( 0.321 1.958 -3.168) 3.738 7.785 ( -0.321 1.958 3.168) 3.738 8.018 ( 1.443 3.574 -2.653) 4.679 8.018 ( -1.443 3.574 2.653) 4.679 8.330 ( 0.851 -2.299 -6.099) 6.573 8.330 ( -0.851 -2.299 6.099) 6.573 8.440 ( -2.183 0.375 -2.162) 3.095 8.440 ( 2.183 0.375 2.162) 3.095 8.598 ( -3.572 0.070 -2.603) 4.420 8.598 ( 3.572 0.070 2.603) 4.420 8.903 ( 0.341 -3.496 -1.929) 4.008 8.903 ( -0.341 -3.496 1.929) 4.008 9.495 ( 1.190 2.227 -1.557) 2.967 9.495 ( -1.190 2.227 1.557) 2.967 10.021 ( -1.477 3.369 -0.609) 3.728 10.021 ( 1.477 3.369 0.609) 3.728 10.336 ( -1.386 -3.451 -4.848) 6.110 10.336 ( 1.386 -3.451 4.848) 6.110 10.938 ( -2.148 -1.466 -5.597) 6.172 10.938 ( 2.148 -1.466 5.597) 6.172 11.192 ( 0.831 10.422 -3.776) 11.116 11.192 ( -0.831 10.422 3.776) 11.116 11.244 ( -3.301 -0.465 -3.931) 5.154 11.244 ( 3.301 -0.465 3.931) 5.154 11.457 ( -2.676 3.788 0.185) 4.642 11.457 ( 2.676 3.788 -0.185) 4.642 11.871 ( -5.691 -3.151 -3.865) 7.567 11.871 ( 5.691 -3.151 3.865) 7.567 12.409 ( 0.255 -0.129 -2.502) 2.518 12.409 ( -0.255 -0.129 2.502) 2.518 12.501 ( -0.821 1.798 -3.447) 3.973 12.501 ( 0.821 1.798 3.447) 3.973 12.773 ( -2.757 0.491 -1.144) 3.025 12.773 ( 2.757 0.491 1.144) 3.025 13.092 ( 4.840 0.079 -3.983) 6.269 13.092 ( -4.840 0.079 3.983) 6.269 13.359 ( 1.387 0.780 -1.334) 2.076 13.359 ( -1.387 0.780 1.334) 2.076 13.709 ( -3.749 -1.447 -2.027) 4.501 13.709 ( 3.749 -1.447 2.027) 4.501 16.022 ( -0.313 2.640 -4.949) 5.617 16.022 ( 0.313 2.640 4.949) 5.617 16.391 ( -0.222 -0.758 -0.233) 0.823 16.391 ( 0.222 -0.758 0.233) 0.823 21.371 ( -1.561 0.244 -4.888) 5.137 21.371 ( 1.561 0.244 4.888) 5.137 21.815 ( -0.566 -1.599 -11.728) 11.850 21.815 ( 0.566 -1.599 11.728) 11.850 22.665 ( 0.447 2.969 -4.394) 5.322 22.665 ( -0.447 2.969 4.394) 5.322 22.968 ( -2.684 1.108 -2.587) 3.889 22.968 ( 2.684 1.108 2.587) 3.889 23.209 ( 4.143 -1.115 -2.233) 4.837 23.209 ( -4.143 -1.115 2.233) 4.837 23.426 ( 3.601 0.199 -1.901) 4.077 23.426 ( -3.601 0.199 1.901) 4.077 23.702 ( -0.893 0.496 -0.367) 1.085 23.702 ( 0.893 0.496 0.367) 1.085 23.937 ( 0.626 -3.397 -4.309) 5.523 23.937 ( -0.626 -3.397 4.309) 5.523 24.228 ( -5.153 0.697 -1.983) 5.565 24.228 ( 5.153 0.697 1.983) 5.565 24.669 ( 0.376 -5.641 -6.045) 8.276 24.669 ( -0.376 -5.641 6.045) 8.276 25.016 ( -6.196 1.251 -1.581) 6.515 25.016 ( 6.196 1.251 1.581) 6.515 25.216 ( -2.856 -2.431 -0.784) 3.832 25.216 ( 2.856 -2.431 0.784) 3.832 25.328 ( -0.386 2.970 -0.620) 3.059 25.328 ( 0.386 2.970 0.620) 3.059 25.509 ( -4.723 5.339 -4.592) 8.480 25.509 ( 4.723 5.339 4.592) 8.480 ======================= Grid point 161 (72/88) ======================= q-point: ( 0.10 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 15.326 -5.692 -18.458) 24.657 0.943 ( 6.149 5.054 -8.835) 11.891 1.098 ( 7.788 3.857 2.047) 8.928 1.273 ( -2.094 11.687 18.285) 21.802 1.698 ( 18.044 19.809 -19.871) 33.360 1.927 ( 4.376 1.555 11.936) 12.808 1.987 ( -6.267 -6.298 0.905) 8.930 2.058 ( 1.219 1.616 1.894) 2.772 2.223 ( 6.052 -10.330 -10.904) 16.194 2.298 ( 3.288 -6.973 3.081) 8.302 2.521 ( -2.323 -0.940 -2.184) 3.324 2.540 ( -0.506 -6.207 5.209) 8.119 2.589 ( -3.528 -7.127 4.543) 9.158 2.673 ( 2.190 -4.192 -6.641) 8.153 2.776 ( 1.034 -4.958 -0.656) 5.107 2.825 ( -0.711 -2.267 -4.929) 5.472 2.876 ( -6.395 -2.896 2.658) 7.507 2.935 ( -1.514 -2.038 2.983) 3.917 2.979 ( -2.944 2.245 3.661) 5.207 3.091 ( -1.391 0.421 -2.151) 2.596 3.111 ( 2.692 -1.967 4.325) 5.461 3.203 ( 0.789 -2.977 3.573) 4.717 3.254 ( -2.256 0.881 1.169) 2.690 3.410 ( 2.638 -1.459 0.474) 3.052 3.462 ( 1.782 -1.581 -1.515) 2.823 3.553 ( 4.284 3.142 0.002) 5.313 3.650 ( -4.232 4.653 -0.371) 6.301 3.734 ( -1.558 4.116 -2.385) 5.005 3.807 ( 0.234 -3.662 1.242) 3.874 3.955 ( -1.063 0.681 -0.334) 1.306 4.012 ( 5.895 -2.255 -1.096) 6.406 4.047 ( 3.753 -3.919 -2.761) 6.089 4.114 ( -3.600 1.438 4.788) 6.160 4.251 ( 7.655 3.574 -5.497) 10.079 4.373 ( -3.002 0.162 0.365) 3.029 4.437 ( -0.995 -8.224 -1.010) 8.346 4.504 ( 2.198 0.860 1.183) 2.640 4.601 ( 3.398 -1.383 -0.914) 3.781 4.781 ( -1.067 -8.720 -0.523) 8.800 4.810 ( 4.087 -4.906 -1.661) 6.598 4.997 ( -0.053 -11.072 -6.522) 12.850 5.033 ( -2.468 -3.771 6.229) 7.689 5.346 ( -1.348 -4.083 -3.325) 5.435 5.352 ( -3.661 4.801 7.696) 9.781 5.441 ( -1.667 4.345 -6.886) 8.312 5.581 ( -0.641 -0.560 2.155) 2.317 5.908 ( -0.824 3.980 -3.266) 5.214 5.975 ( -2.150 2.551 5.667) 6.576 6.344 ( -4.675 7.080 1.793) 8.672 6.406 ( -0.693 7.947 -3.213) 8.600 6.424 ( -0.919 6.005 -4.862) 7.781 6.612 ( 1.305 0.854 7.544) 7.703 6.906 ( -4.279 3.692 0.096) 5.653 6.937 ( -8.052 -0.015 -0.519) 8.069 7.013 ( 1.093 -0.508 -0.874) 1.489 7.055 ( -0.121 -3.438 -1.091) 3.609 7.164 ( 1.153 -0.905 -1.748) 2.281 7.235 ( 0.625 -2.351 1.350) 2.782 7.327 ( -5.401 0.151 1.070) 5.508 7.525 ( 4.109 1.328 -0.657) 4.368 7.788 ( 1.644 -0.249 -0.261) 1.683 7.819 ( 1.902 1.329 0.613) 2.400 8.012 ( 0.221 1.411 1.875) 2.357 8.047 ( 1.943 3.584 -0.975) 4.192 8.278 ( -0.936 -0.125 -6.117) 6.189 8.334 ( -2.627 -3.458 2.024) 4.791 8.382 ( -2.368 -0.454 0.806) 2.542 8.445 ( -3.126 -3.332 1.192) 4.722 8.574 ( 1.484 3.024 1.351) 3.629 8.663 ( -0.310 0.757 3.281) 3.382 8.857 ( -3.312 -5.499 0.418) 6.433 8.922 ( 0.444 -1.968 -0.663) 2.123 9.494 ( -0.377 1.169 1.812) 2.189 9.511 ( 1.710 2.377 -1.461) 3.272 9.983 ( -1.894 3.042 -0.228) 3.591 10.042 ( 0.305 4.545 -0.346) 4.568 10.269 ( -1.268 -0.515 -1.217) 1.831 10.423 ( 4.020 -2.281 1.563) 4.880 10.863 ( -1.133 -2.766 -5.580) 6.331 11.013 ( 0.627 6.039 1.995) 6.391 11.068 ( -6.143 6.695 -0.462) 9.098 11.152 ( -3.084 -2.293 -1.718) 4.210 11.240 ( 1.621 6.978 -1.824) 7.393 11.307 ( 1.555 0.303 -0.822) 1.785 11.461 ( 3.326 4.245 0.642) 5.431 11.531 ( 4.835 3.384 -1.013) 5.988 11.734 ( -7.575 -1.273 2.986) 8.241 11.955 ( -0.046 -4.513 4.903) 6.664 12.236 ( -10.193 3.021 6.800) 12.620 12.441 ( -2.330 4.592 -4.270) 6.690 12.519 ( -1.096 -1.093 2.131) 2.634 12.603 ( 7.024 -4.736 1.643) 8.630 12.751 ( 0.703 1.278 0.273) 1.484 12.843 ( 3.345 1.528 1.321) 3.907 13.010 ( -5.475 -0.250 1.086) 5.587 13.153 ( 5.213 -0.967 -5.133) 7.380 13.336 ( -2.439 -1.789 0.453) 3.058 13.396 ( 1.615 1.999 -1.024) 2.767 13.628 ( -3.923 -4.925 -0.606) 6.325 13.813 ( 5.245 -0.646 4.577) 6.991 15.963 ( -1.712 2.606 -4.568) 5.531 16.035 ( -2.463 3.614 3.808) 5.799 16.369 ( -1.812 -0.771 -0.252) 1.985 16.378 ( -1.768 -0.860 0.155) 1.973 21.292 ( -3.097 0.768 -4.809) 5.771 21.402 ( -1.354 -1.871 0.209) 2.319 21.624 ( -9.671 1.418 -7.482) 12.309 21.784 ( -9.732 2.036 6.425) 11.838 22.661 ( 1.789 2.073 -0.787) 2.850 22.717 ( 1.990 3.189 3.225) 4.953 22.928 ( 0.194 1.241 -2.184) 2.520 23.030 ( 0.885 2.079 1.219) 2.567 23.179 ( -0.272 -1.334 3.921) 4.150 23.246 ( 1.386 -1.690 -2.954) 3.675 23.408 ( -0.387 0.510 4.025) 4.076 23.503 ( 3.898 -0.809 -1.881) 4.403 23.666 ( -0.152 0.386 -2.088) 2.128 23.705 ( -0.294 -0.026 -0.130) 0.323 23.899 ( 1.108 -2.469 -1.897) 3.305 23.921 ( -2.405 -1.551 -1.273) 3.132 24.140 ( -3.910 1.384 -0.923) 4.249 24.329 ( 4.668 -0.150 -1.838) 5.019 24.598 ( -2.640 -3.125 -1.939) 4.527 24.705 ( -0.563 -4.833 1.252) 5.024 24.921 ( -2.666 2.370 -1.093) 3.731 25.026 ( -6.079 3.577 0.492) 7.070 25.153 ( 1.502 -0.932 0.895) 1.982 25.242 ( -0.837 -1.097 0.421) 1.442 25.362 ( 2.324 2.132 0.381) 3.177 25.380 ( 4.404 1.600 -1.151) 4.825 25.523 ( 7.936 1.952 0.029) 8.172 25.795 ( 15.250 -4.165 8.368) 17.886 ======================= Grid point 162 (73/88) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 17.654 4.885 -6.618) 19.476 1.033 ( 19.469 -4.604 -13.240) 23.991 1.348 ( 11.775 4.940 5.065) 13.737 1.381 ( 2.403 4.986 13.406) 14.503 1.824 ( -3.232 -2.373 -1.652) 4.337 1.928 ( 7.852 4.260 -6.528) 11.064 2.053 ( 6.000 -3.264 2.153) 7.161 2.144 ( 6.268 0.674 -1.904) 6.585 2.245 ( 3.891 -9.453 -4.377) 11.120 2.386 ( 4.850 -3.231 -1.168) 5.944 2.492 ( 0.567 -0.185 -0.742) 0.952 2.513 ( -4.784 -3.015 1.242) 5.790 2.580 ( -3.336 -9.044 -5.195) 10.951 2.631 ( -0.185 -1.128 1.961) 2.270 2.753 ( -6.009 -3.840 2.893) 7.696 2.768 ( -0.234 -3.261 -1.632) 3.654 2.850 ( 2.790 0.251 1.020) 2.981 2.949 ( -3.421 3.008 3.301) 5.626 3.001 ( 1.153 2.618 5.483) 6.184 3.024 ( 0.237 -0.066 -1.286) 1.309 3.176 ( -1.649 -2.017 1.153) 2.849 3.243 ( 2.012 -1.741 -0.384) 2.688 3.306 ( 4.980 -0.733 11.302) 12.373 3.405 ( -1.550 -0.284 1.946) 2.504 3.539 ( 5.476 0.585 -4.745) 7.269 3.595 ( 0.476 2.239 -0.980) 2.490 3.622 ( 3.731 4.161 0.015) 5.589 3.714 ( 1.616 2.538 -2.866) 4.155 3.819 ( -0.579 -6.524 -0.665) 6.584 3.921 ( -2.423 0.058 0.319) 2.445 4.035 ( -0.024 0.805 -2.271) 2.409 4.101 ( -2.468 1.945 4.813) 5.748 4.110 ( 4.461 -4.731 -2.867) 7.106 4.331 ( 3.041 -0.727 -1.859) 3.638 4.354 ( 1.217 -0.534 0.335) 1.371 4.420 ( 0.151 -10.777 -1.632) 10.901 4.572 ( 4.603 2.770 0.573) 5.403 4.613 ( -0.259 -1.166 -1.673) 2.056 4.720 ( -2.927 -1.283 -2.317) 3.947 4.890 ( 3.381 -7.564 -1.961) 8.514 4.940 ( 0.347 -9.210 -4.905) 10.440 5.052 ( -0.209 -6.319 4.626) 7.834 5.261 ( -6.469 -2.445 1.436) 7.063 5.358 ( -2.326 7.569 6.203) 10.059 5.405 ( 3.707 0.495 -8.099) 8.921 5.558 ( -3.127 3.325 2.455) 5.183 5.864 ( -2.676 2.535 -1.010) 3.822 5.959 ( -3.776 3.227 3.867) 6.295 6.267 ( -5.524 6.557 1.888) 8.779 6.344 ( -3.346 4.364 0.223) 5.504 6.383 ( -0.188 8.819 -7.111) 11.330 6.637 ( -3.622 -1.990 4.173) 5.873 6.774 ( -6.530 2.491 -2.601) 7.457 6.884 ( -1.605 7.080 5.814) 9.301 6.991 ( -2.852 0.288 -0.387) 2.893 7.053 ( 1.205 -1.447 -2.357) 3.017 7.163 ( -0.020 -1.802 -2.536) 3.111 7.220 ( -2.455 -2.679 -0.095) 3.635 7.294 ( -0.580 0.223 4.807) 4.847 7.582 ( 3.262 2.959 -0.957) 4.506 7.797 ( -0.863 0.302 -0.293) 0.960 7.869 ( 3.669 -3.321 -1.489) 5.168 8.044 ( 0.871 0.118 0.466) 0.995 8.068 ( 1.446 1.122 1.220) 2.199 8.224 ( -0.756 1.155 -3.772) 4.017 8.278 ( -3.894 -3.928 0.002) 5.531 8.364 ( -1.846 -1.890 2.997) 3.995 8.404 ( -1.841 -3.762 0.441) 4.211 8.577 ( -1.988 4.442 -1.587) 5.119 8.658 ( -1.248 0.098 1.516) 1.966 8.796 ( -3.882 -4.621 1.175) 6.148 8.909 ( -0.877 -1.043 -1.634) 2.128 9.506 ( 0.093 0.089 1.971) 1.975 9.529 ( 1.597 2.031 -1.560) 3.017 9.957 ( -0.981 3.708 0.290) 3.847 10.031 ( -0.748 5.182 -0.935) 5.318 10.288 ( 3.375 1.732 0.906) 3.900 10.508 ( 4.836 1.600 0.788) 5.154 10.820 ( 0.162 -3.948 -4.132) 5.717 10.917 ( -4.633 9.185 -1.040) 10.340 11.092 ( 0.309 -0.875 -0.883) 1.281 11.096 ( 0.362 1.937 -0.925) 2.177 11.239 ( -0.013 1.427 -1.393) 1.994 11.306 ( -0.013 2.281 -2.533) 3.409 11.557 ( 5.689 2.688 1.083) 6.385 11.599 ( 3.059 2.363 1.781) 4.256 11.683 ( -1.166 -0.319 3.747) 3.937 11.959 ( -2.591 -4.451 3.734) 6.361 12.132 ( -7.067 3.309 5.228) 9.393 12.363 ( -2.143 5.922 -6.189) 8.830 12.489 ( -3.754 -3.762 1.041) 5.415 12.657 ( -2.065 -1.158 2.015) 3.109 12.783 ( 2.150 2.036 1.277) 3.224 12.922 ( 3.331 1.206 1.436) 3.822 12.937 ( -0.536 1.271 -1.177) 1.813 13.197 ( 3.349 -2.962 -4.501) 6.344 13.285 ( -0.803 -0.724 -2.221) 2.470 13.370 ( -3.962 -1.608 -2.946) 5.192 13.587 ( -0.989 -4.201 3.486) 5.548 13.905 ( 0.326 -4.770 3.501) 5.925 15.913 ( 0.005 3.491 -3.646) 5.048 16.010 ( -2.252 3.564 2.051) 4.689 16.328 ( -2.517 -0.872 -0.413) 2.696 16.337 ( -2.850 -1.004 0.368) 3.044 21.192 ( -4.285 1.213 -3.649) 5.757 21.305 ( -3.981 -0.813 -5.492) 6.832 21.491 ( -4.255 3.786 1.779) 5.967 21.652 ( -7.802 2.415 1.463) 8.297 22.704 ( 2.713 1.163 0.628) 3.018 22.776 ( 2.687 2.571 1.271) 3.931 22.941 ( 2.474 2.076 -0.841) 3.337 23.026 ( -0.717 1.706 -0.335) 1.881 23.192 ( 0.306 -3.184 -3.656) 4.857 23.258 ( 0.450 0.775 3.591) 3.701 23.428 ( -1.260 -1.300 2.898) 3.417 23.510 ( 0.157 1.618 -1.464) 2.188 23.688 ( 0.552 -1.510 0.303) 1.636 23.703 ( 1.215 0.152 -0.602) 1.365 23.850 ( -1.810 -0.346 -2.784) 3.338 23.975 ( 2.966 -3.428 3.273) 5.591 24.063 ( -3.332 2.206 0.667) 4.052 24.346 ( -0.439 2.493 -3.570) 4.377 24.557 ( -0.651 -2.278 -0.635) 2.453 24.687 ( -1.867 -2.779 1.285) 3.586 24.899 ( 0.354 1.898 -0.305) 1.954 24.961 ( -1.508 3.809 -0.200) 4.102 25.175 ( 0.753 -1.411 0.243) 1.617 25.235 ( -0.005 -1.231 -0.021) 1.231 25.404 ( 1.878 2.201 1.233) 3.145 25.448 ( 4.427 2.146 -2.479) 5.509 25.696 ( 10.246 -2.108 -0.091) 10.461 26.049 ( 6.184 -9.216 6.911) 13.074 ======================= Grid point 163 (74/88) ======================= q-point: ( 0.30 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 16.476 1.883 3.531) 16.955 1.327 ( 16.832 -8.748 -6.006) 19.898 1.536 ( 11.482 6.087 5.445) 14.091 1.605 ( 11.721 2.650 0.937) 12.054 1.755 ( -0.021 -0.951 -1.986) 2.203 1.980 ( -1.315 -2.544 -1.305) 3.147 2.125 ( 3.572 -7.885 2.508) 9.012 2.250 ( 4.657 1.468 -1.820) 5.211 2.321 ( 5.066 -8.701 0.219) 10.071 2.395 ( -2.016 0.559 -2.552) 3.300 2.408 ( -5.646 -0.183 0.137) 5.651 2.477 ( -0.537 -5.045 0.215) 5.078 2.540 ( -0.520 -0.211 -0.087) 0.568 2.615 ( -3.347 -4.807 -0.836) 5.917 2.647 ( -6.517 -7.926 1.760) 10.411 2.827 ( 3.134 1.526 1.645) 3.855 2.858 ( -1.738 -0.463 -2.468) 3.053 2.934 ( -3.107 -0.848 2.246) 3.926 3.010 ( 3.268 0.569 -0.970) 3.457 3.103 ( 3.937 6.507 4.235) 8.704 3.131 ( -1.800 0.940 -0.771) 2.172 3.278 ( 1.953 -1.689 0.994) 2.767 3.375 ( -0.932 3.639 0.137) 3.759 3.510 ( 5.493 -0.572 1.798) 5.808 3.586 ( 2.695 3.137 0.894) 4.231 3.621 ( 6.691 -3.386 -7.887) 10.883 3.694 ( -1.467 -3.745 3.126) 5.094 3.721 ( 0.002 2.203 -0.920) 2.387 3.801 ( 7.778 -5.316 -0.596) 9.440 3.916 ( -0.160 -1.046 2.880) 3.069 4.021 ( 0.511 4.004 -3.331) 5.233 4.078 ( -4.041 1.207 5.119) 6.632 4.174 ( 4.469 -4.175 -1.622) 6.328 4.326 ( -1.357 -3.942 -0.528) 4.202 4.385 ( -0.979 -8.716 -1.388) 8.880 4.407 ( 1.456 -1.151 0.351) 1.889 4.587 ( -1.250 -3.046 -1.784) 3.744 4.654 ( 3.748 6.721 -1.395) 7.821 4.695 ( 2.657 1.507 -1.612) 3.453 4.859 ( -2.930 -3.657 2.207) 5.180 4.989 ( 6.149 -8.458 -4.907) 11.551 5.086 ( 1.542 -5.862 1.141) 6.167 5.156 ( -6.328 -0.212 1.115) 6.429 5.315 ( -6.160 7.691 1.189) 9.925 5.431 ( 3.379 -1.976 -3.455) 5.221 5.546 ( -0.831 1.838 4.558) 4.984 5.796 ( -4.379 2.387 -0.084) 4.988 5.894 ( -6.033 5.354 2.353) 8.403 6.179 ( -5.923 8.275 2.602) 10.504 6.289 ( -1.896 5.792 -6.241) 8.723 6.337 ( -0.834 2.774 1.918) 3.474 6.579 ( -4.467 -1.622 1.740) 5.061 6.680 ( -2.540 3.432 -0.692) 4.326 6.887 ( -2.505 5.738 0.094) 6.262 6.955 ( -1.018 3.183 2.222) 4.013 7.044 ( -0.179 1.103 -1.518) 1.885 7.142 ( -2.312 -2.947 -1.111) 3.907 7.169 ( -0.598 -4.065 -1.282) 4.304 7.346 ( 0.706 1.158 7.142) 7.270 7.616 ( 2.193 -0.002 -4.603) 5.099 7.769 ( -1.692 2.284 1.133) 3.060 7.905 ( 1.725 -5.027 -2.076) 5.706 8.026 ( -1.060 -1.338 -1.635) 2.363 8.134 ( 2.728 -2.360 3.567) 5.073 8.190 ( -5.506 -3.355 -0.744) 6.491 8.208 ( 0.125 0.897 0.705) 1.148 8.358 ( -1.049 -3.125 2.129) 3.924 8.387 ( 0.109 -3.287 -1.419) 3.582 8.518 ( -1.758 3.937 -3.435) 5.513 8.624 ( -3.056 -0.164 -0.752) 3.152 8.758 ( -2.105 -0.769 3.313) 3.999 8.872 ( -1.208 -0.593 -2.768) 3.078 9.523 ( 0.638 -0.100 0.843) 1.062 9.544 ( 1.014 1.127 -0.668) 1.657 9.952 ( -0.147 4.347 0.849) 4.431 10.009 ( -0.761 4.980 -1.213) 5.182 10.383 ( 5.651 1.075 1.623) 5.977 10.604 ( 4.992 6.276 0.852) 8.064 10.782 ( -2.006 -3.131 -1.907) 4.179 10.893 ( 1.953 1.698 0.437) 2.625 11.048 ( -2.749 0.721 0.396) 2.870 11.128 ( 2.552 4.842 -3.025) 6.253 11.225 ( -0.522 -2.375 -1.634) 2.930 11.270 ( -1.537 1.767 -2.704) 3.577 11.651 ( 2.695 -0.626 4.804) 5.544 11.687 ( 5.351 1.830 0.273) 5.662 11.731 ( 4.045 2.098 1.637) 4.842 11.932 ( -2.952 -3.387 2.845) 5.318 12.055 ( -5.482 2.785 3.514) 7.082 12.256 ( -4.027 4.577 -9.015) 10.883 12.430 ( -2.287 -3.317 1.467) 4.288 12.625 ( -2.427 4.501 3.236) 6.051 12.838 ( 1.953 1.281 -0.139) 2.339 12.880 ( -0.757 2.422 -3.730) 4.511 13.051 ( 4.772 0.909 5.400) 7.263 13.195 ( -2.288 -4.060 -0.785) 4.726 13.244 ( -3.133 -5.286 -4.480) 7.604 13.289 ( 1.468 -0.697 -2.718) 3.167 13.626 ( 1.181 -2.969 4.293) 5.351 13.877 ( -3.712 -6.042 -0.989) 7.160 15.912 ( 1.912 3.270 -1.909) 4.242 15.993 ( -1.161 2.665 1.341) 3.201 16.278 ( -2.439 -0.919 -0.691) 2.696 16.287 ( -3.158 -1.039 0.731) 3.404 21.124 ( -1.682 1.548 0.905) 2.458 21.242 ( -1.186 -0.164 -0.197) 1.213 21.424 ( -4.277 2.287 -0.900) 4.933 21.530 ( -5.920 1.309 -1.845) 6.338 22.759 ( 2.487 0.489 1.691) 3.047 22.829 ( 2.969 1.318 -0.503) 3.287 22.992 ( 2.410 1.248 1.231) 2.980 23.010 ( -0.609 1.262 -0.213) 1.417 23.166 ( 1.126 -0.436 -4.969) 5.114 23.293 ( 0.756 0.698 2.267) 2.490 23.409 ( -2.047 -1.441 0.821) 2.635 23.495 ( -2.290 1.400 1.401) 3.028 23.689 ( 0.008 -0.987 0.321) 1.038 23.722 ( 0.810 0.461 -0.147) 0.943 23.821 ( -0.049 0.419 -1.008) 1.093 23.945 ( -4.057 -0.181 -0.120) 4.062 24.103 ( 1.917 -0.411 3.910) 4.374 24.281 ( -2.585 4.275 -4.513) 6.733 24.564 ( 1.264 -2.791 0.367) 3.086 24.667 ( -1.349 -2.027 0.767) 2.552 24.915 ( 1.275 1.466 0.109) 1.946 24.951 ( 0.307 2.759 -0.690) 2.861 25.193 ( 0.975 -1.910 0.733) 2.267 25.238 ( 0.392 -1.593 -0.261) 1.661 25.445 ( 1.510 2.373 1.655) 3.263 25.494 ( 3.140 2.773 -3.179) 5.259 25.864 ( 8.402 -3.770 0.463) 9.221 26.137 ( 0.895 -8.267 2.284) 8.623 ======================= Grid point 164 (75/88) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 9.243 -3.890 -0.847) 10.064 1.590 ( 13.557 -5.918 4.570) 15.483 1.719 ( 0.668 2.074 1.167) 2.472 1.801 ( 10.869 5.808 2.028) 12.490 1.868 ( 10.892 -3.725 -4.428) 12.334 1.927 ( 1.403 -5.240 1.596) 5.654 2.193 ( 1.995 -5.657 -0.388) 6.011 2.262 ( -5.554 1.330 1.283) 5.853 2.327 ( -1.394 -3.511 1.457) 4.049 2.343 ( -4.182 1.661 5.808) 7.348 2.366 ( 1.655 3.596 -5.146) 6.493 2.496 ( -5.317 -6.383 -0.803) 8.347 2.510 ( 0.778 -0.409 -3.203) 3.321 2.555 ( 0.284 -3.416 2.941) 4.517 2.603 ( 3.157 -7.032 0.373) 7.717 2.780 ( -4.053 0.462 -2.168) 4.619 2.833 ( -4.509 -3.271 -1.081) 5.674 2.887 ( -1.339 -2.629 6.576) 7.207 2.933 ( -9.514 -1.373 0.670) 9.636 3.057 ( -3.641 -0.322 -4.265) 5.617 3.283 ( 3.620 5.951 -0.519) 6.986 3.353 ( -0.728 0.365 -1.661) 1.850 3.388 ( 11.967 -1.119 0.749) 12.042 3.484 ( 2.669 -1.541 -10.469) 10.913 3.647 ( 1.800 2.232 1.871) 3.424 3.662 ( 2.441 -1.868 1.358) 3.360 3.753 ( 3.687 -0.528 0.468) 3.753 3.790 ( 5.058 0.444 2.566) 5.689 3.882 ( -3.280 -0.614 3.064) 4.530 3.977 ( -0.532 2.140 2.795) 3.560 4.007 ( 2.445 -0.039 -1.994) 3.155 4.088 ( 3.418 -4.638 3.360) 6.669 4.170 ( -1.417 -8.712 -2.500) 9.173 4.314 ( 0.784 -2.286 -0.030) 2.417 4.373 ( -1.285 -3.689 2.034) 4.404 4.431 ( 1.374 -1.373 -4.428) 4.836 4.558 ( 0.966 -2.344 0.010) 2.536 4.685 ( -0.767 4.430 0.753) 4.558 4.746 ( 4.621 0.996 -2.043) 5.150 4.854 ( -0.137 4.279 1.954) 4.707 5.047 ( -2.488 -1.356 1.917) 3.421 5.073 ( 2.936 -3.311 -5.892) 7.369 5.107 ( 0.070 -3.567 -2.119) 4.149 5.199 ( -6.479 6.764 3.054) 9.852 5.464 ( 2.531 -4.125 -1.397) 5.037 5.559 ( -1.893 -2.157 2.336) 3.701 5.730 ( -2.527 4.589 0.974) 5.328 5.798 ( -5.703 7.607 1.359) 9.604 6.116 ( -3.192 9.100 3.307) 10.195 6.196 ( -2.789 5.899 -5.842) 8.758 6.372 ( 1.725 -0.905 3.665) 4.150 6.513 ( -3.641 -2.175 -0.688) 4.297 6.680 ( 1.591 4.525 2.776) 5.542 6.827 ( -1.825 4.618 -4.175) 6.488 6.941 ( -0.969 3.590 -1.059) 3.867 7.009 ( -4.911 -0.441 0.860) 5.005 7.111 ( 1.364 0.780 0.873) 1.798 7.172 ( 0.426 -2.556 -0.872) 2.734 7.413 ( 0.552 -0.005 7.768) 7.788 7.572 ( -1.203 -2.168 -8.204) 8.570 7.788 ( 2.006 1.898 2.972) 4.058 7.905 ( -0.538 -4.489 -0.379) 4.537 8.003 ( -0.333 -5.694 -1.262) 5.842 8.074 ( -5.416 -2.455 -1.731) 6.193 8.200 ( 2.597 -1.843 1.537) 3.536 8.242 ( 0.589 -1.844 4.452) 4.855 8.353 ( -0.611 -2.689 0.029) 2.758 8.371 ( -0.483 -2.999 -2.789) 4.124 8.481 ( 0.720 3.755 -2.983) 4.850 8.557 ( -3.789 1.530 -0.001) 4.086 8.763 ( -0.551 0.783 3.814) 3.933 8.830 ( -0.868 -0.194 -3.546) 3.656 9.540 ( 1.190 0.034 -0.845) 1.460 9.553 ( -0.137 0.205 0.885) 0.919 9.961 ( 0.194 4.473 1.206) 4.637 9.989 ( -0.367 4.572 -1.329) 4.775 10.496 ( 5.859 0.754 0.785) 5.959 10.661 ( -1.388 7.083 1.088) 7.299 10.765 ( 3.194 -2.159 -0.606) 3.903 10.929 ( -0.646 -1.539 -1.078) 1.987 11.025 ( 0.507 3.423 3.731) 5.089 11.149 ( 1.904 2.928 -1.531) 3.813 11.184 ( -2.114 -2.202 -3.171) 4.402 11.224 ( -1.591 0.545 -2.009) 2.620 11.729 ( 2.333 -0.720 4.412) 5.043 11.784 ( 5.067 1.140 0.181) 5.197 11.815 ( 3.808 2.511 -0.251) 4.568 11.910 ( -1.187 -1.643 2.573) 3.275 11.987 ( -4.443 1.822 1.872) 5.154 12.104 ( -5.617 1.861 -6.961) 9.136 12.459 ( 4.353 0.335 1.130) 4.510 12.624 ( -1.862 4.349 5.178) 7.013 12.801 ( -2.891 1.285 -2.087) 3.790 12.842 ( -2.512 3.280 -5.205) 6.646 13.120 ( -0.274 -4.736 3.187) 5.715 13.175 ( 2.447 0.145 2.431) 3.452 13.219 ( -0.424 -4.439 0.441) 4.481 13.287 ( 1.345 -1.546 -5.287) 5.670 13.677 ( 1.107 -3.716 3.681) 5.346 13.792 ( -3.585 -5.713 -2.706) 7.267 15.941 ( 2.370 2.519 -1.097) 3.628 15.985 ( -0.923 2.082 1.104) 2.530 16.237 ( -1.367 -0.882 -1.043) 1.932 16.242 ( -2.497 -0.944 1.048) 2.868 21.141 ( 1.014 1.202 4.495) 4.762 21.250 ( 0.627 -0.414 2.913) 3.009 21.328 ( -4.149 1.771 -3.754) 5.869 21.416 ( -4.382 0.485 -4.148) 6.054 22.814 ( 1.988 -0.045 2.185) 2.955 22.866 ( 1.648 0.281 -1.621) 2.328 22.998 ( -0.210 -0.531 0.669) 0.880 23.028 ( -0.019 -0.011 0.604) 0.604 23.179 ( 3.660 3.355 -2.260) 5.455 23.307 ( -0.523 1.427 -1.306) 2.004 23.381 ( -0.707 -0.491 0.629) 1.066 23.452 ( -3.654 0.158 2.129) 4.232 23.697 ( 0.645 -0.054 0.291) 0.710 23.726 ( -0.330 0.675 0.069) 0.755 23.827 ( 0.758 0.571 0.754) 1.212 23.886 ( -2.317 0.100 -0.323) 2.342 24.141 ( -0.098 0.876 2.973) 3.101 24.209 ( -1.385 3.685 -4.849) 6.245 24.596 ( 1.537 -2.874 0.843) 3.366 24.648 ( -1.159 -2.310 0.147) 2.589 24.938 ( 0.908 1.428 0.461) 1.754 24.954 ( 0.489 2.121 -0.815) 2.325 25.218 ( 0.998 -2.271 0.807) 2.609 25.242 ( 0.118 -2.031 -0.269) 2.052 25.480 ( 0.754 2.747 2.269) 3.642 25.512 ( 1.645 3.183 -3.397) 4.937 25.997 ( 5.958 -4.625 1.040) 7.613 26.137 ( -1.429 -6.603 -0.184) 6.758 ======================= Grid point 165 (76/88) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -4.563 0.673 -0.643) 4.657 1.641 ( 4.563 0.673 0.643) 4.657 1.821 ( -4.726 -8.107 -4.333) 10.336 1.821 ( 4.726 -8.107 4.333) 10.336 1.994 ( 0.119 -2.012 -4.987) 5.379 1.994 ( -0.119 -2.012 4.987) 5.379 2.207 ( 1.058 -2.471 -1.989) 3.343 2.207 ( -1.058 -2.471 1.989) 3.343 2.307 ( 0.317 7.045 -2.894) 7.623 2.307 ( -0.317 7.045 2.894) 7.623 2.394 ( -0.176 -2.586 -5.096) 5.718 2.394 ( 0.176 -2.586 5.096) 5.718 2.535 ( -0.777 -3.858 0.091) 3.936 2.535 ( 0.777 -3.858 -0.091) 3.936 2.725 ( -4.151 -0.269 -0.584) 4.200 2.725 ( 4.151 -0.269 0.584) 4.200 2.776 ( -3.775 -4.571 -0.239) 5.933 2.776 ( 3.775 -4.571 0.239) 5.933 2.949 ( -2.307 -3.163 -6.819) 7.863 2.949 ( 2.307 -3.163 6.819) 7.863 3.314 ( -0.800 2.613 -2.014) 3.395 3.314 ( 0.800 2.613 2.014) 3.395 3.504 ( 3.458 -3.663 -6.327) 8.088 3.504 ( -3.458 -3.663 6.327) 8.088 3.694 ( 3.365 2.174 -2.975) 4.990 3.694 ( -3.365 2.174 2.975) 4.990 3.802 ( -3.628 2.599 0.723) 4.520 3.802 ( 3.628 2.599 -0.723) 4.520 3.923 ( -4.833 -1.310 -0.851) 5.079 3.923 ( 4.833 -1.310 0.851) 5.079 4.038 ( -1.393 -6.334 -3.118) 7.196 4.038 ( 1.393 -6.334 3.118) 7.196 4.310 ( -1.969 -2.502 -3.006) 4.378 4.310 ( 1.969 -2.502 3.006) 4.378 4.354 ( 2.057 -1.952 -6.872) 7.434 4.354 ( -2.057 -1.952 6.872) 7.434 4.634 ( 3.564 -1.154 -2.864) 4.716 4.634 ( -3.564 -1.154 2.864) 4.716 4.828 ( 1.072 4.408 -1.324) 4.726 4.828 ( -1.072 4.408 1.324) 4.726 5.028 ( -0.781 3.303 -3.693) 5.016 5.028 ( 0.781 3.303 3.693) 5.016 5.145 ( 4.474 -1.281 -3.830) 6.027 5.145 ( -4.474 -1.281 3.830) 6.027 5.511 ( -0.551 -4.834 -2.650) 5.540 5.511 ( 0.551 -4.834 2.650) 5.540 5.733 ( -1.066 7.423 -1.201) 7.594 5.733 ( 1.066 7.423 1.201) 7.594 6.123 ( 0.535 7.490 -6.219) 9.750 6.123 ( -0.535 7.490 6.219) 9.750 6.440 ( -2.833 -2.317 -3.030) 4.752 6.440 ( 2.833 -2.317 3.030) 4.752 6.755 ( -0.701 5.255 -7.603) 9.269 6.755 ( 0.701 5.255 7.603) 9.269 6.939 ( 1.678 0.759 -1.496) 2.373 6.939 ( -1.678 0.759 1.496) 2.373 7.155 ( -1.401 0.325 -1.625) 2.170 7.155 ( 1.401 0.325 1.625) 2.170 7.486 ( -1.085 -1.552 -8.118) 8.336 7.486 ( 1.085 -1.552 8.118) 8.336 7.862 ( -3.489 -1.637 -1.779) 4.245 7.862 ( 3.489 -1.637 1.779) 4.245 8.004 ( -0.471 -5.239 -2.033) 5.639 8.004 ( 0.471 -5.239 2.033) 5.639 8.252 ( -1.927 -1.897 0.030) 2.704 8.252 ( 1.927 -1.897 -0.030) 2.704 8.345 ( 0.532 -2.363 -2.691) 3.621 8.345 ( -0.532 -2.363 2.691) 3.621 8.500 ( 2.162 2.815 -4.158) 5.467 8.500 ( -2.162 2.815 4.158) 5.467 8.791 ( -0.113 0.525 -4.204) 4.238 8.791 ( 0.113 0.525 4.204) 4.238 9.551 ( 1.971 -0.032 -4.381) 4.804 9.551 ( -1.971 -0.032 4.381) 4.804 9.975 ( -0.017 4.419 -1.573) 4.691 9.975 ( 0.017 4.419 1.573) 4.691 10.597 ( -1.111 1.918 -2.954) 3.693 10.597 ( 1.111 1.918 2.954) 3.693 10.855 ( -1.105 1.571 -4.804) 5.174 10.855 ( 1.105 1.571 4.804) 5.174 11.103 ( -3.498 -0.309 -3.684) 5.089 11.103 ( 3.498 -0.309 3.684) 5.089 11.183 ( -0.647 0.915 0.017) 1.120 11.183 ( 0.647 0.915 -0.017) 1.120 11.795 ( 1.033 -0.231 -6.733) 6.816 11.795 ( -1.033 -0.231 6.733) 6.816 11.895 ( -0.180 2.857 -1.406) 3.189 11.895 ( 0.180 2.857 1.406) 3.189 11.978 ( -3.831 -0.299 -2.234) 4.445 11.978 ( 3.831 -0.299 2.234) 4.445 12.575 ( 1.524 1.989 -5.970) 6.475 12.575 ( -1.524 1.989 5.970) 6.475 12.768 ( 0.758 2.513 -4.404) 5.127 12.768 ( -0.758 2.513 4.404) 5.127 13.168 ( -1.455 -3.257 -3.786) 5.202 13.168 ( 1.455 -3.257 3.786) 5.202 13.255 ( 0.367 -1.616 -6.732) 6.932 13.255 ( -0.367 -1.616 6.732) 6.932 13.724 ( -1.688 -4.807 -3.006) 5.915 13.724 ( 1.688 -4.807 3.006) 5.915 15.971 ( 1.643 2.035 -1.031) 2.812 15.971 ( -1.643 2.035 1.031) 2.812 16.221 ( 0.716 -0.861 -1.340) 1.746 16.221 ( -0.716 -0.861 1.340) 1.746 21.216 ( -3.013 0.962 -5.189) 6.077 21.216 ( 3.013 0.962 5.189) 6.077 21.320 ( -2.539 0.223 -4.491) 5.164 21.320 ( 2.539 0.223 4.491) 5.164 22.857 ( 0.187 -0.247 -3.485) 3.499 22.857 ( -0.187 -0.247 3.485) 3.499 23.013 ( -0.604 -0.552 -1.166) 1.425 23.013 ( 0.604 -0.552 1.166) 1.425 23.248 ( -3.094 3.243 -1.765) 4.817 23.248 ( 3.094 3.243 1.765) 4.817 23.406 ( 1.535 -0.327 -2.948) 3.340 23.406 ( -1.535 -0.327 2.948) 3.340 23.714 ( -0.352 0.538 -0.536) 0.838 23.714 ( 0.352 0.538 0.536) 0.838 23.852 ( -0.914 0.197 -1.281) 1.586 23.852 ( 0.914 0.197 1.281) 1.586 24.163 ( -0.141 2.462 -3.788) 4.520 24.163 ( 0.141 2.462 3.788) 4.520 24.626 ( -1.063 -2.714 -0.621) 2.980 24.626 ( 1.063 -2.714 0.621) 2.980 24.952 ( 0.081 1.688 -0.973) 1.950 24.952 ( -0.081 1.688 0.973) 1.950 25.236 ( 0.207 -2.325 -1.322) 2.682 25.236 ( -0.207 -2.325 1.322) 2.682 25.504 ( 0.323 3.146 -3.031) 4.380 25.504 ( -0.323 3.146 3.031) 4.380 26.089 ( -1.949 -5.436 -2.365) 6.240 26.089 ( 1.949 -5.436 2.365) 6.240 ======================= Grid point 171 (77/88) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -4.428 11.997 -9.606) 15.994 0.889 ( 4.428 11.997 9.606) 15.994 1.403 ( -1.194 14.254 -13.859) 19.917 1.403 ( 1.194 14.254 13.859) 19.917 1.917 ( 10.211 -6.149 -8.168) 14.450 1.917 ( -10.211 -6.149 8.168) 14.450 1.974 ( -2.575 -2.653 -2.231) 4.318 1.974 ( 2.575 -2.653 2.231) 4.318 2.107 ( 0.717 -0.857 -7.270) 7.355 2.107 ( -0.717 -0.857 7.270) 7.355 2.342 ( 2.239 -3.820 -4.557) 6.354 2.342 ( -2.239 -3.820 4.557) 6.354 2.570 ( -2.126 -3.285 -0.184) 3.918 2.570 ( 2.126 -3.285 0.184) 3.918 2.764 ( -0.789 -0.102 -2.164) 2.306 2.764 ( 0.789 -0.102 2.164) 2.306 2.850 ( -1.413 -3.845 -3.271) 5.242 2.850 ( 1.413 -3.845 3.271) 5.242 3.032 ( -1.483 -2.210 -3.064) 4.059 3.032 ( 1.483 -2.210 3.064) 4.059 3.147 ( -1.649 0.169 -5.480) 5.726 3.147 ( 1.649 0.169 5.480) 5.726 3.288 ( 3.266 -2.133 -2.719) 4.755 3.288 ( -3.266 -2.133 2.719) 4.755 3.545 ( -4.597 4.295 -0.856) 6.350 3.545 ( 4.597 4.295 0.856) 6.350 3.692 ( 1.629 -1.075 -2.521) 3.188 3.692 ( -1.629 -1.075 2.521) 3.188 3.848 ( -0.075 -4.973 -2.144) 5.416 3.848 ( 0.075 -4.973 2.144) 5.416 3.976 ( 1.265 -2.190 -2.886) 3.837 3.976 ( -1.265 -2.190 2.886) 3.837 4.221 ( 4.516 2.240 -4.360) 6.665 4.221 ( -4.516 2.240 4.360) 6.665 4.338 ( -3.550 -5.439 -3.521) 7.388 4.338 ( 3.550 -5.439 3.521) 7.388 4.499 ( -1.676 1.911 -2.427) 3.514 4.499 ( 1.676 1.911 2.427) 3.514 4.735 ( 0.961 0.151 -4.342) 4.450 4.735 ( -0.961 0.151 4.342) 4.450 4.907 ( -1.732 -4.062 -5.614) 7.143 4.907 ( 1.732 -4.062 5.614) 7.143 5.251 ( 1.264 -8.348 -4.746) 9.685 5.251 ( -1.264 -8.348 4.746) 9.685 5.680 ( 0.397 10.283 -4.147) 11.095 5.680 ( -0.397 10.283 4.147) 11.095 5.954 ( 3.382 -2.486 -6.990) 8.154 5.954 ( -3.382 -2.486 6.990) 8.154 6.563 ( -2.488 4.995 -3.945) 6.834 6.563 ( 2.488 4.995 3.945) 6.834 6.621 ( 3.094 9.799 -5.346) 11.584 6.621 ( -3.094 9.799 5.346) 11.584 6.928 ( -0.402 -6.333 -1.861) 6.613 6.928 ( 0.402 -6.333 1.861) 6.613 6.988 ( 0.217 -0.611 -0.302) 0.715 6.988 ( -0.217 -0.611 0.302) 0.715 7.165 ( 0.090 -4.675 -1.063) 4.795 7.165 ( -0.090 -4.675 1.063) 4.795 7.460 ( 1.265 6.662 -3.594) 7.674 7.460 ( -1.265 6.662 3.594) 7.674 7.807 ( 1.071 -0.359 -6.185) 6.288 7.807 ( -1.071 -0.359 6.185) 6.288 8.041 ( 0.035 -1.976 -2.861) 3.477 8.041 ( -0.035 -1.976 2.861) 3.477 8.308 ( 0.281 0.190 -3.044) 3.062 8.308 ( -0.281 0.190 3.044) 3.062 8.468 ( -0.844 1.324 -2.896) 3.294 8.468 ( 0.844 1.324 2.896) 3.294 8.579 ( 3.835 -0.101 -3.042) 4.896 8.579 ( -3.835 -0.101 3.042) 4.896 8.822 ( -0.752 -4.326 -2.576) 5.090 8.822 ( 0.752 -4.326 2.576) 5.090 9.532 ( 0.222 1.230 -0.562) 1.371 9.532 ( -0.222 1.230 0.562) 1.371 10.103 ( -1.244 3.799 -0.957) 4.111 10.103 ( 1.244 3.799 0.957) 4.111 10.338 ( -2.736 2.868 -2.363) 4.615 10.338 ( 2.736 2.868 2.363) 4.615 10.822 ( -1.414 -7.302 -4.690) 8.793 10.822 ( 1.414 -7.302 4.690) 8.793 11.193 ( -0.877 -1.269 -4.441) 4.701 11.193 ( 0.877 -1.269 4.441) 4.701 11.451 ( 5.664 9.589 -3.958) 11.819 11.451 ( -5.664 9.589 3.958) 11.819 11.516 ( -1.568 2.231 -1.514) 3.119 11.516 ( 1.568 2.231 1.514) 3.119 11.800 ( -2.988 -3.627 -1.896) 5.067 11.800 ( 2.988 -3.627 1.896) 5.067 12.412 ( 2.136 0.289 -2.542) 3.332 12.412 ( -2.136 0.289 2.542) 3.332 12.552 ( 1.727 3.052 -2.956) 4.586 12.552 ( -1.727 3.052 2.956) 4.586 12.787 ( 0.526 0.413 -2.322) 2.416 12.787 ( -0.526 0.413 2.322) 2.416 13.084 ( 0.594 -0.658 -1.659) 1.881 13.084 ( -0.594 -0.658 1.659) 1.881 13.391 ( -3.780 2.651 0.011) 4.617 13.391 ( 3.780 2.651 -0.011) 4.617 13.652 ( -5.295 -4.134 -1.830) 6.963 13.652 ( 5.295 -4.134 1.830) 6.963 16.076 ( -0.214 2.453 -3.787) 4.517 16.076 ( 0.214 2.453 3.787) 4.517 16.371 ( -0.161 -1.071 -0.079) 1.086 16.371 ( 0.161 -1.071 0.079) 1.086 21.380 ( -1.016 0.593 -2.651) 2.900 21.380 ( 1.016 0.593 2.651) 2.900 21.787 ( -0.656 -1.136 -8.569) 8.669 21.787 ( 0.656 -1.136 8.569) 8.669 22.715 ( 0.132 1.796 -2.962) 3.467 22.715 ( -0.132 1.796 2.962) 3.467 22.994 ( -1.792 1.302 -3.111) 3.819 22.994 ( 1.792 1.302 3.111) 3.819 23.180 ( 2.859 -1.588 -2.999) 4.437 23.180 ( -2.859 -1.588 2.999) 4.437 23.434 ( 2.539 0.484 -1.612) 3.046 23.434 ( -2.539 0.484 1.612) 3.046 23.711 ( -0.214 0.371 -0.329) 0.540 23.711 ( 0.214 0.371 0.329) 0.540 23.867 ( -0.497 -3.175 -3.145) 4.497 23.867 ( 0.497 -3.175 3.145) 4.497 24.245 ( -2.421 0.870 -1.701) 3.084 24.245 ( 2.421 0.870 1.701) 3.084 24.580 ( 0.903 -3.166 -4.987) 5.976 24.580 ( -0.903 -3.166 4.987) 5.976 25.038 ( -3.471 0.846 -0.445) 3.601 25.038 ( 3.471 0.846 0.445) 3.601 25.187 ( -0.666 -0.768 -0.907) 1.362 25.187 ( 0.666 -0.768 0.907) 1.362 25.403 ( 0.809 4.245 -1.534) 4.586 25.403 ( -0.809 4.245 1.534) 4.586 25.557 ( -1.156 -0.153 -4.510) 4.658 25.557 ( 1.156 -0.153 4.510) 4.658 ======================= Grid point 173 (78/88) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 8.677 15.036 -6.013) 18.372 1.112 ( 12.356 10.031 2.528) 16.115 1.248 ( -3.003 10.835 -4.730) 12.198 1.533 ( 0.268 13.834 10.643) 17.456 1.801 ( -5.357 -6.194 4.485) 9.337 1.861 ( -4.038 -4.833 -3.241) 7.082 1.999 ( 4.825 -6.050 -11.035) 13.478 2.029 ( -1.992 -5.482 -4.344) 7.273 2.135 ( 5.566 -9.923 -3.932) 12.038 2.145 ( 8.546 -0.098 -1.747) 8.723 2.375 ( -0.364 -6.503 6.100) 8.924 2.432 ( 4.966 3.388 -0.683) 6.050 2.483 ( -1.587 -2.164 -1.652) 3.152 2.610 ( 0.155 -2.453 1.025) 2.663 2.741 ( 1.385 2.291 -1.369) 3.007 2.759 ( -0.494 -2.490 -2.036) 3.254 2.847 ( 1.516 -3.126 3.564) 4.977 2.932 ( 2.915 0.475 3.936) 4.921 3.003 ( -2.002 -3.412 1.216) 4.139 3.068 ( -1.258 -0.037 1.267) 1.785 3.074 ( -2.558 1.038 2.536) 3.749 3.193 ( 0.383 0.661 0.987) 1.248 3.270 ( -1.750 -0.511 7.274) 7.499 3.356 ( 5.952 -2.853 -1.289) 6.726 3.471 ( -0.614 1.884 -2.803) 3.433 3.631 ( 3.482 4.102 -2.358) 5.875 3.683 ( -0.397 1.812 0.649) 1.965 3.717 ( 2.202 -2.478 -0.297) 3.328 3.824 ( -1.397 0.373 -1.504) 2.086 3.876 ( 1.750 -7.988 2.579) 8.574 3.957 ( -0.596 -4.650 -1.314) 4.869 4.009 ( 2.420 -1.608 -0.961) 3.060 4.157 ( -4.453 0.976 2.835) 5.368 4.222 ( 0.108 -4.976 -5.925) 7.739 4.302 ( 1.950 0.669 -2.103) 2.945 4.401 ( -0.558 1.774 -0.430) 1.909 4.479 ( 1.445 -6.574 2.101) 7.051 4.552 ( 2.549 2.439 1.392) 3.793 4.729 ( 1.931 -0.136 -3.768) 4.236 4.747 ( -1.316 -3.425 1.096) 3.829 4.847 ( 0.602 -0.586 -4.631) 4.707 4.963 ( -0.116 -3.468 5.041) 6.120 5.199 ( -2.371 -6.899 -0.313) 7.301 5.291 ( 1.906 -7.554 -0.736) 7.826 5.639 ( -2.045 11.429 -1.583) 11.718 5.703 ( -0.285 8.697 2.233) 8.984 5.932 ( -2.874 -2.174 2.752) 4.534 5.963 ( 1.250 -1.903 -2.586) 3.445 6.472 ( -4.826 4.671 -1.940) 6.991 6.559 ( -4.700 9.185 1.568) 10.436 6.605 ( -1.150 5.459 1.963) 5.914 6.653 ( 1.009 6.973 -0.577) 7.069 6.909 ( -0.363 -4.033 -2.045) 4.536 6.938 ( -1.221 -5.448 -0.003) 5.583 6.959 ( -2.200 1.419 2.320) 3.498 6.980 ( -0.186 -1.226 0.322) 1.282 7.151 ( -1.065 -5.292 0.534) 5.424 7.195 ( 1.956 -3.975 0.158) 4.433 7.391 ( -3.814 9.263 0.191) 10.019 7.530 ( 4.409 2.639 -2.372) 5.659 7.792 ( 1.994 -0.043 -4.465) 4.890 7.835 ( -0.679 -0.839 4.846) 4.965 8.021 ( -0.405 -1.531 -0.185) 1.595 8.065 ( 0.444 -1.952 0.560) 2.079 8.257 ( -2.517 -1.308 -0.666) 2.913 8.317 ( -2.330 2.320 0.392) 3.312 8.357 ( -6.241 -3.420 -0.632) 7.145 8.447 ( -3.600 4.025 0.122) 5.402 8.593 ( 1.067 -2.787 3.736) 4.782 8.647 ( 2.704 0.288 -0.578) 2.780 8.772 ( -1.883 -2.436 -0.716) 3.161 8.865 ( 1.461 -3.674 0.091) 3.955 9.517 ( -0.861 1.176 0.476) 1.533 9.543 ( 0.696 0.584 -0.562) 1.068 10.073 ( -1.041 5.090 -0.143) 5.197 10.137 ( 1.209 3.640 0.002) 3.836 10.302 ( 0.468 3.886 -0.864) 4.008 10.422 ( 4.766 1.338 1.932) 5.314 10.764 ( -1.081 -4.961 -2.459) 5.641 10.902 ( 3.430 -8.663 2.162) 9.565 11.127 ( -2.473 1.216 -2.881) 3.987 11.226 ( -0.784 -3.194 3.066) 4.496 11.337 ( -8.271 10.983 1.359) 13.816 11.466 ( 0.673 7.053 -5.822) 9.170 11.535 ( 3.528 3.693 1.067) 5.218 11.590 ( 5.335 2.149 -1.090) 5.854 11.706 ( -5.774 -0.830 1.811) 6.108 11.854 ( 0.781 -5.376 1.813) 5.727 12.306 ( -7.876 3.802 4.222) 9.711 12.456 ( -0.786 -4.287 -0.523) 4.390 12.558 ( 0.793 6.155 -3.866) 7.311 12.584 ( 2.700 2.621 4.203) 5.641 12.765 ( -0.068 -0.092 1.055) 1.061 12.835 ( 2.756 -2.935 -0.406) 4.047 13.027 ( -3.103 2.360 0.550) 3.936 13.128 ( 3.129 -1.789 -3.029) 4.708 13.323 ( -4.201 1.184 1.707) 4.687 13.460 ( 3.129 3.902 0.093) 5.002 13.523 ( -7.421 -4.931 -2.043) 9.142 13.740 ( 3.069 -6.164 1.536) 7.055 16.034 ( -1.150 3.919 -3.134) 5.148 16.089 ( -1.643 1.692 3.027) 3.837 16.350 ( -1.970 -0.999 -0.041) 2.209 16.355 ( -1.918 -1.262 0.037) 2.296 21.316 ( -2.856 1.537 -4.603) 5.631 21.373 ( -1.853 -1.240 -3.386) 4.054 21.672 ( -6.201 3.078 -1.757) 7.142 21.784 ( -7.610 -1.668 8.139) 11.267 22.714 ( 1.653 2.724 -1.063) 3.359 22.756 ( 1.875 0.793 2.289) 3.064 22.958 ( 0.039 2.074 -1.380) 2.491 23.078 ( 4.040 0.722 1.725) 4.452 23.136 ( -3.087 -1.385 0.181) 3.388 23.211 ( 1.891 -1.828 0.994) 2.812 23.422 ( -0.635 0.982 1.541) 1.934 23.479 ( 3.084 -1.575 -1.849) 3.926 23.680 ( -0.744 0.894 -1.842) 2.179 23.703 ( -0.531 -0.190 -0.713) 0.909 23.859 ( 1.463 -1.213 1.003) 2.149 23.886 ( -1.166 -1.835 1.533) 2.660 24.179 ( -2.303 2.611 -3.324) 4.814 24.301 ( 4.183 -2.661 -3.515) 6.077 24.555 ( -0.859 -0.750 0.638) 1.306 24.619 ( 0.773 -3.583 1.830) 4.097 24.981 ( -2.152 3.345 -0.472) 4.005 25.076 ( -0.583 0.733 -0.732) 1.189 25.132 ( -1.959 -0.269 1.544) 2.509 25.205 ( -0.498 -2.314 0.070) 2.368 25.419 ( 1.753 3.395 0.599) 3.868 25.445 ( 4.182 4.295 -1.406) 6.157 25.546 ( 3.443 0.336 0.148) 3.462 25.697 ( 8.223 -5.569 3.232) 10.444 ======================= Grid point 174 (79/88) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 13.675 11.081 -5.272) 18.374 1.193 ( 9.544 11.910 -6.446) 16.567 1.424 ( 12.047 4.258 6.482) 14.327 1.590 ( -1.078 12.883 8.329) 15.379 1.715 ( -2.978 -9.226 -3.262) 10.229 1.858 ( 2.997 -8.907 0.222) 9.401 1.936 ( -1.297 -4.972 -2.349) 5.650 2.053 ( 5.437 -7.819 -4.291) 10.446 2.185 ( 2.348 -10.943 -0.857) 11.224 2.221 ( 2.175 -7.017 -3.277) 8.044 2.400 ( -0.295 -3.092 -0.972) 3.254 2.438 ( 1.963 -6.093 -2.927) 7.039 2.516 ( 1.455 3.655 0.909) 4.038 2.616 ( -0.372 3.891 0.641) 3.961 2.716 ( -3.560 -1.049 -0.730) 3.782 2.791 ( 3.590 3.648 -0.437) 5.137 2.902 ( -2.770 0.866 5.208) 5.962 2.961 ( -5.109 -6.722 3.587) 9.173 3.001 ( 5.096 -0.552 -3.265) 6.077 3.025 ( 1.171 0.824 2.187) 2.614 3.155 ( 4.182 2.573 5.627) 7.468 3.236 ( 3.696 2.604 0.850) 4.601 3.307 ( -0.387 0.558 10.248) 10.271 3.408 ( 1.966 2.621 -1.810) 3.743 3.525 ( 5.984 -3.499 -3.202) 7.636 3.625 ( 1.454 2.454 -4.395) 5.240 3.679 ( -0.579 1.435 -0.351) 1.587 3.755 ( -1.149 2.304 -2.723) 3.747 3.790 ( 1.747 0.428 1.496) 2.340 3.914 ( -2.846 -1.383 0.432) 3.194 3.959 ( 4.654 -9.582 -0.284) 10.656 4.036 ( 0.801 -0.726 0.000) 1.081 4.105 ( -1.981 -8.792 1.558) 9.147 4.214 ( 1.647 0.356 -2.428) 2.955 4.317 ( 1.592 1.049 -3.509) 3.993 4.361 ( -1.722 0.261 -0.434) 1.795 4.500 ( -1.745 -7.424 -0.883) 7.677 4.625 ( 5.547 -4.200 0.964) 7.024 4.728 ( 1.132 1.180 -2.120) 2.677 4.742 ( 1.766 -0.303 -1.603) 2.404 4.865 ( 3.429 1.021 -2.344) 4.278 4.982 ( -1.671 -2.872 5.354) 6.301 5.171 ( -1.125 -4.012 0.538) 4.201 5.308 ( 1.069 -7.326 -1.682) 7.592 5.588 ( -2.996 11.799 0.336) 12.178 5.698 ( -1.639 8.230 0.812) 8.431 5.888 ( -3.939 -0.658 1.340) 4.212 5.959 ( -0.459 -1.770 -0.755) 1.978 6.376 ( -4.904 3.837 0.187) 6.230 6.486 ( -4.112 7.616 -0.000) 8.655 6.551 ( -5.362 5.875 0.428) 7.966 6.644 ( -1.883 4.884 0.280) 5.242 6.846 ( -3.926 4.476 -1.794) 6.218 6.924 ( -0.037 -7.398 -0.986) 7.464 6.966 ( -0.889 -2.640 3.524) 4.492 6.999 ( 1.931 2.457 1.782) 3.597 7.105 ( -3.833 -6.369 -0.444) 7.446 7.236 ( 1.990 0.953 -1.994) 2.974 7.338 ( -2.083 6.763 2.198) 7.411 7.570 ( 2.480 -1.136 -3.487) 4.427 7.802 ( 1.638 -1.473 -2.733) 3.510 7.847 ( -1.500 0.145 2.578) 2.986 8.028 ( 0.197 -0.692 3.065) 3.148 8.062 ( -0.538 -1.700 -0.662) 1.902 8.186 ( -5.470 -1.513 -3.149) 6.490 8.246 ( -1.443 -2.572 2.429) 3.820 8.317 ( -2.004 -3.989 1.518) 4.715 8.360 ( -5.838 0.663 -0.289) 5.883 8.615 ( 0.047 -1.543 0.103) 1.547 8.674 ( 0.492 2.830 0.322) 2.891 8.744 ( -0.925 0.001 0.034) 0.926 8.873 ( -0.288 -2.679 -0.762) 2.800 9.511 ( -0.366 0.684 0.988) 1.256 9.549 ( 0.673 -0.194 -0.916) 1.153 10.063 ( -0.073 6.143 0.051) 6.144 10.140 ( -0.585 4.396 -0.370) 4.450 10.342 ( 3.859 3.995 0.460) 5.574 10.530 ( 6.213 -0.584 0.531) 6.263 10.752 ( 0.617 -1.420 0.302) 1.578 10.948 ( -0.201 -6.296 0.170) 6.301 11.086 ( 0.392 1.585 -1.712) 2.366 11.193 ( -4.387 5.167 -0.944) 6.844 11.236 ( -2.813 1.505 1.878) 3.702 11.409 ( -2.350 3.617 -4.896) 6.525 11.625 ( 3.600 4.707 1.929) 6.232 11.646 ( 0.512 2.144 1.657) 2.758 11.680 ( 4.259 0.390 -0.588) 4.317 11.866 ( -0.690 -4.946 2.047) 5.398 12.204 ( -7.064 4.086 3.937) 9.060 12.398 ( -4.950 -5.366 -0.779) 7.342 12.515 ( -1.217 9.014 -4.535) 10.163 12.671 ( 2.200 2.875 4.636) 5.882 12.794 ( 2.049 -1.571 0.282) 2.597 12.870 ( 1.542 -4.667 0.734) 4.970 13.014 ( 1.229 4.365 1.650) 4.825 13.148 ( 2.293 -2.548 -4.712) 5.827 13.269 ( -3.322 0.038 0.993) 3.467 13.341 ( -8.739 -1.470 -3.467) 9.515 13.524 ( 1.744 -0.712 2.556) 3.175 13.769 ( -0.538 -8.621 -0.406) 8.647 15.999 ( -0.441 4.661 -2.023) 5.100 16.069 ( -2.221 1.955 1.687) 3.406 16.306 ( -2.774 -1.133 -0.145) 3.000 16.311 ( -2.938 -1.489 0.097) 3.295 21.224 ( -3.635 1.955 -3.235) 5.244 21.289 ( -3.080 -1.005 -4.130) 5.249 21.570 ( -5.739 4.054 1.749) 7.241 21.676 ( -8.683 -0.294 3.706) 9.446 22.747 ( 2.512 2.836 -0.605) 3.837 22.804 ( 2.187 0.426 0.813) 2.372 22.964 ( 1.127 0.857 -0.391) 1.469 23.074 ( -2.448 -1.605 -2.671) 3.962 23.150 ( 3.754 2.836 0.135) 4.707 23.268 ( 0.994 -0.081 5.347) 5.440 23.409 ( -1.742 -0.368 0.660) 1.899 23.498 ( 0.613 -3.073 -1.538) 3.491 23.678 ( 0.704 0.801 -0.364) 1.127 23.705 ( 1.327 -0.064 -0.322) 1.367 23.857 ( -1.147 0.986 -0.988) 1.806 23.918 ( 1.468 -2.273 3.242) 4.223 24.126 ( -1.080 4.291 -1.141) 4.569 24.338 ( 3.345 -3.878 -4.691) 6.945 24.538 ( -2.302 0.975 1.436) 2.883 24.629 ( -0.618 -2.895 0.889) 3.091 24.957 ( -0.353 3.730 -0.328) 3.761 25.036 ( -1.523 3.375 -1.138) 3.873 25.132 ( -0.378 -2.606 1.609) 3.086 25.195 ( -0.144 -2.752 -0.530) 2.806 25.462 ( 2.263 3.527 1.113) 4.336 25.512 ( 4.640 3.841 -2.366) 6.471 25.650 ( 6.896 -1.970 0.831) 7.220 25.853 ( 6.190 -9.775 2.698) 11.881 ======================= Grid point 175 (80/88) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 13.628 2.350 -5.923) 15.044 1.376 ( 8.134 7.577 0.088) 11.117 1.620 ( 9.268 0.540 3.061) 9.775 1.662 ( 4.805 -1.675 0.491) 5.113 1.764 ( 8.685 6.500 1.615) 10.967 1.853 ( -3.241 -8.668 2.890) 9.695 1.986 ( 4.624 -6.679 0.761) 8.159 2.141 ( 5.970 -5.855 -1.175) 8.444 2.233 ( 4.957 -6.559 -2.505) 8.595 2.242 ( 4.226 -10.832 -2.312) 11.854 2.380 ( -0.550 -0.434 -1.599) 1.746 2.439 ( -0.169 -0.262 -2.263) 2.284 2.475 ( -6.839 -3.268 5.788) 9.537 2.588 ( -5.499 1.029 2.183) 6.005 2.656 ( -2.766 4.954 2.853) 6.351 2.817 ( -1.138 0.097 1.362) 1.777 2.864 ( -5.807 -3.463 1.933) 7.033 2.892 ( -1.308 -3.201 -3.662) 5.037 3.017 ( -1.074 0.828 -2.323) 2.690 3.087 ( 1.123 -1.320 -0.633) 1.845 3.218 ( 2.097 0.271 2.426) 3.218 3.299 ( 3.010 2.042 1.713) 4.020 3.419 ( -1.049 3.625 -2.743) 4.665 3.485 ( 7.702 -2.526 9.710) 12.648 3.560 ( 1.528 -4.011 -2.756) 5.101 3.584 ( -1.712 4.081 -5.458) 7.027 3.687 ( 5.835 2.671 -1.836) 6.675 3.773 ( 0.251 0.967 -1.010) 1.421 3.797 ( 2.244 2.323 0.965) 3.371 3.907 ( 2.261 -0.497 1.139) 2.580 4.008 ( 0.094 -3.171 -0.753) 3.261 4.056 ( 2.341 -5.864 -1.437) 6.476 4.141 ( 3.101 -6.277 3.318) 7.747 4.206 ( 0.500 0.139 -4.111) 4.144 4.279 ( -3.208 -0.017 -0.380) 3.230 4.371 ( 1.979 -1.631 -0.703) 2.659 4.452 ( -1.659 -7.050 0.253) 7.247 4.718 ( 0.537 -8.508 -0.024) 8.525 4.756 ( 4.166 3.674 -1.726) 5.817 4.797 ( 7.267 5.760 -0.074) 9.273 4.913 ( 3.989 0.617 -2.838) 4.934 5.005 ( -0.007 -2.375 5.320) 5.826 5.155 ( -1.117 -1.578 0.300) 1.956 5.308 ( 0.376 -7.861 -1.694) 8.050 5.531 ( -4.342 11.594 0.658) 12.397 5.664 ( -2.298 8.624 -0.245) 8.929 5.813 ( -5.194 -0.625 0.981) 5.322 5.925 ( -3.473 -1.708 0.492) 3.901 6.315 ( -2.327 3.446 1.087) 4.298 6.412 ( -3.910 4.296 -1.438) 5.984 6.458 ( -4.799 9.791 1.650) 11.028 6.596 ( -3.353 4.856 -0.493) 5.922 6.776 ( -2.475 4.598 -0.560) 5.252 6.899 ( -1.976 -3.454 -0.288) 3.989 6.975 ( -2.370 -6.211 2.404) 7.069 7.040 ( -0.164 -5.067 -0.228) 5.075 7.059 ( 1.768 2.388 1.131) 3.180 7.207 ( -0.897 7.855 -4.756) 9.226 7.371 ( 0.905 0.413 5.967) 6.050 7.565 ( 0.212 -2.999 -4.228) 5.188 7.788 ( -1.093 -4.079 -3.313) 5.368 7.825 ( -2.255 -0.199 2.328) 3.248 8.006 ( -4.958 0.119 -1.759) 5.262 8.075 ( 1.058 -2.083 3.278) 4.025 8.106 ( -2.242 -4.771 1.577) 5.502 8.235 ( -4.693 -2.355 0.540) 5.278 8.253 ( 0.786 -2.933 -0.571) 3.090 8.324 ( 0.048 -3.326 0.298) 3.339 8.608 ( 0.564 3.217 -3.419) 4.728 8.656 ( -2.860 4.541 1.492) 5.570 8.748 ( 0.626 -0.389 1.046) 1.280 8.850 ( -1.178 -1.935 -1.374) 2.650 9.518 ( 0.047 0.131 1.377) 1.384 9.552 ( 0.588 -0.597 -1.339) 1.580 10.067 ( 0.247 6.304 0.229) 6.313 10.119 ( -1.240 4.913 -0.329) 5.077 10.433 ( 5.753 3.937 0.457) 6.986 10.638 ( 5.869 -3.308 -1.026) 6.815 10.784 ( 0.570 3.147 3.914) 5.055 10.908 ( -2.320 -0.918 -1.472) 2.897 11.088 ( -2.138 1.434 3.465) 4.317 11.149 ( 2.506 1.158 -5.125) 5.822 11.205 ( -1.904 -0.209 0.220) 1.928 11.324 ( -3.108 1.898 -3.942) 5.367 11.664 ( 1.537 2.339 3.741) 4.672 11.726 ( 4.395 1.575 0.510) 4.696 11.769 ( 5.778 1.853 -0.469) 6.086 11.868 ( -0.396 -3.075 1.525) 3.455 12.113 ( -5.932 3.290 2.464) 7.217 12.271 ( -7.015 -3.554 -3.781) 8.726 12.485 ( 0.717 8.836 -1.000) 8.921 12.711 ( -0.814 4.447 3.381) 5.645 12.821 ( 1.267 -3.108 -1.031) 3.511 12.927 ( 3.052 -0.815 2.943) 4.317 13.068 ( -0.297 0.529 1.446) 1.568 13.124 ( -2.744 -4.334 -5.697) 7.666 13.155 ( -1.842 1.071 -1.314) 2.503 13.264 ( -0.956 -1.668 0.702) 2.046 13.566 ( 0.712 -2.401 2.645) 3.643 13.723 ( -2.860 -8.910 -2.656) 9.727 15.990 ( 0.634 4.226 -1.025) 4.394 16.045 ( -1.457 2.130 0.869) 2.723 16.256 ( -2.613 -1.270 -0.365) 2.928 16.259 ( -2.961 -1.612 0.365) 3.391 21.163 ( -1.852 2.216 0.770) 2.989 21.232 ( -1.514 -0.927 0.129) 1.780 21.477 ( -5.308 2.854 -1.127) 6.131 21.547 ( -7.031 0.033 -0.874) 7.085 22.786 ( 2.299 2.101 -0.468) 3.149 22.844 ( 1.927 0.085 -0.118) 1.932 22.983 ( 0.812 -0.551 0.200) 1.002 23.024 ( -1.065 -1.697 -1.695) 2.625 23.219 ( 3.830 5.761 -0.080) 6.918 23.309 ( -0.182 0.898 4.122) 4.223 23.382 ( -1.933 -1.085 1.477) 2.664 23.483 ( -0.963 -3.065 -1.531) 3.558 23.691 ( 0.783 1.289 0.198) 1.521 23.728 ( 1.144 0.033 -0.115) 1.151 23.840 ( -0.042 1.521 -0.669) 1.662 23.921 ( -1.990 -2.025 -0.038) 2.839 24.144 ( 1.414 4.502 3.469) 5.856 24.338 ( 0.406 -0.145 -4.984) 5.003 24.511 ( -1.122 -1.125 1.255) 2.025 24.613 ( -1.544 -3.276 0.198) 3.627 24.962 ( 0.686 3.154 0.461) 3.260 25.015 ( 0.109 3.362 -1.719) 3.777 25.141 ( -0.149 -3.120 2.088) 3.757 25.191 ( 0.362 -3.140 -1.344) 3.434 25.511 ( 2.017 4.116 1.716) 4.894 25.566 ( 3.559 3.969 -3.030) 6.132 25.779 ( 6.594 -3.930 1.039) 7.747 25.948 ( 3.059 -9.986 0.947) 10.486 ======================= Grid point 176 (81/88) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 12.662 -1.915 -2.210) 12.995 1.512 ( 8.578 -1.084 2.068) 8.890 1.704 ( 0.801 -3.521 0.315) 3.625 1.790 ( -6.776 -5.361 4.376) 9.686 1.861 ( 12.433 0.743 -1.767) 12.580 1.930 ( 5.847 7.177 1.778) 9.427 2.056 ( 3.853 -7.621 -1.442) 8.661 2.231 ( 2.129 -4.334 1.225) 4.982 2.256 ( -0.243 -1.649 -0.971) 1.929 2.313 ( 2.028 -6.765 0.621) 7.089 2.358 ( -1.157 0.340 2.870) 3.113 2.449 ( 2.716 1.326 -1.006) 3.185 2.455 ( 1.424 -6.266 -0.136) 6.427 2.530 ( 0.413 0.147 3.026) 3.057 2.616 ( -3.660 5.307 2.463) 6.901 2.736 ( -7.250 -5.248 -0.341) 8.956 2.772 ( -3.653 -0.235 -3.096) 4.795 2.861 ( -1.420 1.000 1.303) 2.171 2.929 ( -6.079 0.780 -0.867) 6.189 3.023 ( -5.505 -2.759 -5.613) 8.332 3.284 ( 3.572 -3.651 1.171) 5.240 3.344 ( -0.446 -0.486 -1.533) 1.669 3.371 ( -0.649 -1.002 2.781) 3.027 3.444 ( -1.506 -1.539 -7.225) 7.539 3.637 ( 2.776 -5.815 4.635) 7.938 3.673 ( 1.936 -1.981 2.403) 3.667 3.757 ( 2.375 0.522 2.208) 3.284 3.812 ( 7.345 5.162 -1.840) 9.165 3.870 ( 2.232 0.498 0.390) 2.320 3.924 ( -1.604 -0.930 -0.951) 2.083 4.032 ( 3.628 3.466 -0.220) 5.022 4.073 ( 2.723 -3.914 -2.317) 5.301 4.179 ( 0.223 -2.496 -5.438) 5.988 4.192 ( -2.517 0.324 2.169) 3.339 4.261 ( 2.531 -1.841 2.846) 4.230 4.385 ( -1.621 -4.108 0.699) 4.471 4.469 ( 4.269 -3.865 0.070) 5.759 4.671 ( -4.545 -4.786 0.664) 6.634 4.843 ( 6.124 4.881 -1.132) 7.913 4.916 ( 4.460 5.400 -1.162) 7.099 4.985 ( 5.501 -0.818 -0.670) 5.602 5.037 ( -0.736 0.346 2.961) 3.070 5.159 ( 2.816 -0.826 -0.951) 3.085 5.293 ( -1.431 -6.462 -0.637) 6.650 5.452 ( -3.683 10.601 0.238) 11.225 5.590 ( -6.248 6.707 -0.640) 9.189 5.755 ( -1.203 -1.444 0.801) 2.044 5.851 ( -5.004 -1.911 0.973) 5.444 6.302 ( -0.270 5.172 0.366) 5.192 6.338 ( -2.773 5.400 -0.891) 6.135 6.421 ( -1.241 9.017 2.363) 9.404 6.522 ( -3.831 4.731 -1.731) 6.329 6.765 ( 1.292 1.425 0.231) 1.937 6.861 ( -3.120 -2.002 1.625) 4.047 6.925 ( -2.037 -3.943 1.135) 4.581 7.040 ( -2.123 1.531 -3.191) 4.127 7.098 ( 3.749 -1.839 0.072) 4.176 7.182 ( 0.275 5.596 -0.531) 5.627 7.424 ( 0.039 -0.041 5.515) 5.515 7.521 ( -1.206 -1.539 -4.557) 4.959 7.745 ( -1.123 -5.896 -0.611) 6.033 7.797 ( -1.995 -5.165 -0.435) 5.554 7.921 ( -2.924 -1.788 0.409) 3.452 8.005 ( -5.071 -4.838 -2.196) 7.345 8.164 ( 2.213 -1.897 5.303) 6.051 8.226 ( 0.772 -0.059 3.071) 3.167 8.258 ( 0.909 -4.114 -2.581) 4.941 8.320 ( -0.225 -2.700 -1.907) 3.313 8.586 ( 0.853 5.608 -4.817) 7.442 8.615 ( -3.493 4.109 3.077) 6.209 8.771 ( 0.827 -0.050 1.349) 1.583 8.819 ( -0.912 -1.156 -1.508) 2.108 9.531 ( 0.099 -0.370 1.482) 1.531 9.550 ( 0.347 -0.740 -1.549) 1.751 10.074 ( 0.270 5.892 0.373) 5.910 10.097 ( -0.899 5.194 -0.352) 5.283 10.542 ( 6.154 3.644 -0.018) 7.152 10.699 ( 0.412 -2.092 -0.650) 2.229 10.806 ( 0.375 3.485 2.089) 4.080 10.882 ( -0.628 -2.310 0.190) 2.401 11.084 ( -1.208 2.046 5.380) 5.882 11.161 ( 2.354 -0.379 -6.187) 6.631 11.179 ( -0.810 0.668 0.663) 1.242 11.249 ( -2.197 1.781 -3.438) 4.453 11.732 ( 2.784 1.152 3.010) 4.259 11.799 ( 2.276 -0.202 0.940) 2.471 11.858 ( 4.338 1.703 0.336) 4.672 11.888 ( 2.709 -0.360 0.214) 2.741 12.031 ( -4.970 2.422 1.287) 5.677 12.114 ( -6.901 -1.036 -4.356) 8.226 12.530 ( 4.048 6.877 1.405) 8.103 12.708 ( -2.370 3.632 2.896) 5.215 12.823 ( -0.511 0.347 -0.257) 0.669 12.918 ( -6.232 2.053 -6.193) 9.023 13.007 ( 2.721 -4.334 3.449) 6.171 13.115 ( -1.125 -5.123 -0.216) 5.249 13.188 ( 2.930 1.169 1.663) 3.566 13.255 ( 0.215 -1.473 -1.926) 2.435 13.590 ( -0.054 -4.469 2.405) 5.075 13.651 ( -2.356 -7.695 -2.833) 8.532 16.002 ( 1.197 3.268 -0.574) 3.528 16.031 ( -0.880 2.171 0.584) 2.414 16.214 ( -1.513 -1.304 -0.629) 2.094 16.216 ( -2.141 -1.505 0.638) 2.694 21.173 ( 0.761 1.902 4.144) 4.623 21.237 ( 0.457 -0.993 3.145) 3.329 21.368 ( -4.489 2.093 -3.946) 6.333 21.420 ( -5.057 -0.199 -3.916) 6.399 22.821 ( 1.840 0.796 -0.018) 2.005 22.863 ( 0.449 -0.641 -0.805) 1.123 22.991 ( 0.376 -0.080 0.504) 0.634 23.015 ( 0.114 -0.968 -0.179) 0.991 23.275 ( 2.669 5.569 -0.367) 6.187 23.331 ( -0.368 0.897 2.100) 2.313 23.368 ( -0.878 -0.719 2.378) 2.635 23.442 ( -1.861 -1.629 -2.328) 3.396 23.709 ( 1.142 1.241 0.113) 1.691 23.739 ( 0.045 0.367 0.075) 0.377 23.842 ( 0.393 0.935 0.237) 1.042 23.882 ( -1.784 -0.638 -0.420) 1.941 24.194 ( 0.656 4.436 4.266) 6.189 24.288 ( -1.115 3.717 -5.223) 6.507 24.521 ( 0.870 -4.086 1.236) 4.356 24.582 ( -1.680 -4.243 -0.448) 4.585 24.981 ( 0.704 2.926 1.149) 3.222 25.008 ( 0.431 3.205 -1.792) 3.697 25.157 ( 0.169 -3.608 2.060) 4.158 25.185 ( 0.229 -3.538 -1.632) 3.903 25.556 ( 1.190 4.616 2.396) 5.335 25.591 ( 1.897 4.403 -3.268) 5.802 25.889 ( 4.723 -5.494 1.108) 7.330 25.980 ( 0.369 -8.563 -0.301) 8.576 ======================= Grid point 177 (82/88) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -5.832 -1.166 -1.796) 6.213 1.641 ( 5.832 -1.166 1.796) 6.213 1.673 ( -5.072 -5.691 -2.373) 7.984 1.673 ( 5.072 -5.691 2.373) 7.984 1.975 ( 3.560 0.798 -4.821) 6.046 1.975 ( -3.560 0.798 4.821) 6.046 2.137 ( -3.404 -3.358 -0.808) 4.849 2.137 ( 3.404 -3.358 0.808) 4.849 2.321 ( -1.648 -2.810 -1.194) 3.470 2.321 ( 1.648 -2.810 1.194) 3.470 2.411 ( -2.723 -0.358 -2.574) 3.764 2.411 ( 2.723 -0.358 2.574) 3.764 2.526 ( -1.721 1.540 -3.760) 4.413 2.526 ( 1.721 1.540 3.760) 4.413 2.629 ( -1.989 -4.617 -0.323) 5.038 2.629 ( 1.989 -4.617 0.323) 5.038 2.785 ( -7.498 2.715 -2.545) 8.371 2.785 ( 7.498 2.715 2.545) 8.371 2.891 ( -2.444 -0.730 -5.048) 5.656 2.891 ( 2.444 -0.730 5.048) 5.656 3.345 ( -0.453 -0.802 -2.353) 2.526 3.345 ( 0.453 -0.802 2.353) 2.526 3.379 ( 0.038 -5.580 -7.143) 9.065 3.379 ( -0.038 -5.580 7.143) 9.065 3.681 ( 0.233 -7.627 -1.998) 7.888 3.681 ( -0.233 -7.627 1.998) 7.888 3.835 ( -3.179 0.942 -2.943) 4.433 3.835 ( 3.179 0.942 2.943) 4.433 3.901 ( 3.926 4.763 -4.068) 7.392 3.901 ( -3.926 4.763 4.068) 7.392 4.085 ( -2.440 5.336 -1.023) 5.955 4.085 ( 2.440 5.336 1.023) 5.955 4.159 ( 2.206 -7.959 -3.292) 8.891 4.159 ( -2.206 -7.959 3.292) 8.891 4.335 ( 0.097 -0.269 -5.848) 5.855 4.335 ( -0.097 -0.269 5.848) 5.855 4.576 ( -6.097 -5.015 0.343) 7.902 4.576 ( 6.097 -5.015 -0.343) 7.902 4.932 ( -2.768 6.670 -0.405) 7.233 4.932 ( 2.768 6.670 0.405) 7.233 5.029 ( 1.128 0.591 -4.334) 4.517 5.029 ( -1.128 0.591 4.334) 4.517 5.234 ( -4.327 -1.517 0.146) 4.587 5.234 ( 4.327 -1.517 -0.146) 4.587 5.468 ( -4.080 5.477 -1.410) 6.973 5.468 ( 4.080 5.477 1.410) 6.973 5.779 ( -2.553 -1.757 -0.274) 3.111 5.779 ( 2.553 -1.757 0.274) 3.111 6.306 ( -0.464 7.057 -0.274) 7.077 6.306 ( 0.464 7.057 0.274) 7.077 6.449 ( -1.290 5.557 -3.393) 6.638 6.449 ( 1.290 5.557 3.393) 6.638 6.808 ( 1.514 -3.003 -2.488) 4.183 6.808 ( -1.514 -3.003 2.488) 4.183 6.957 ( -2.721 2.931 -4.116) 5.739 6.957 ( 2.721 2.931 4.116) 5.739 7.163 ( -1.753 0.186 -0.763) 1.921 7.163 ( 1.753 0.186 0.763) 1.921 7.466 ( 0.292 0.241 -6.075) 6.087 7.466 ( -0.292 0.241 6.075) 6.087 7.754 ( -0.614 -7.443 -2.521) 7.883 7.754 ( 0.614 -7.443 2.521) 7.883 7.923 ( -1.383 -3.492 -2.795) 4.681 7.923 ( 1.383 -3.492 2.795) 4.681 8.228 ( -0.466 -1.442 -4.739) 4.976 8.228 ( 0.466 -1.442 4.739) 4.976 8.282 ( -1.318 -2.253 -3.776) 4.590 8.282 ( 1.318 -2.253 3.776) 4.590 8.584 ( 2.666 4.816 -4.640) 7.199 8.584 ( -2.666 4.816 4.640) 7.199 8.795 ( 0.051 -0.315 -2.369) 2.391 8.795 ( -0.051 -0.315 2.369) 2.391 9.542 ( 0.477 -0.684 -2.136) 2.293 9.542 ( -0.477 -0.684 2.136) 2.293 10.083 ( -0.017 5.452 -0.869) 5.521 10.083 ( 0.017 5.452 0.869) 5.521 10.643 ( -1.567 2.725 -2.362) 3.933 10.643 ( 1.567 2.725 2.362) 3.933 10.852 ( 1.279 -2.113 -4.160) 4.838 10.852 ( -1.279 -2.113 4.160) 4.838 11.125 ( -0.039 1.947 -6.709) 6.986 11.125 ( 0.039 1.947 6.709) 6.986 11.198 ( 0.485 0.843 -4.275) 4.384 11.198 ( -0.485 0.843 4.275) 4.384 11.793 ( -0.238 0.252 -3.320) 3.339 11.793 ( 0.238 0.252 3.320) 3.339 11.944 ( 0.232 0.019 -4.343) 4.349 11.944 ( -0.232 0.019 4.343) 4.349 11.978 ( -3.302 1.831 -2.868) 4.742 11.978 ( 3.302 1.831 2.868) 4.742 12.637 ( -2.369 3.951 -3.531) 5.804 12.637 ( 2.369 3.951 3.531) 5.804 12.824 ( -0.161 2.722 -3.630) 4.540 12.824 ( 0.161 2.722 3.630) 4.540 13.075 ( -2.121 -5.519 -2.460) 6.404 13.075 ( 2.121 -5.519 2.460) 6.404 13.237 ( 0.435 0.005 -3.905) 3.929 13.237 ( -0.435 0.005 3.905) 3.929 13.608 ( -0.386 -6.204 -2.357) 6.647 13.608 ( 0.386 -6.204 2.357) 6.647 16.019 ( 0.916 2.495 -0.509) 2.706 16.019 ( -0.916 2.495 0.509) 2.706 16.198 ( 0.410 -1.352 -0.789) 1.618 16.198 ( -0.410 -1.352 0.789) 1.618 21.239 ( -2.304 1.174 -3.957) 4.727 21.239 ( 2.304 1.174 3.957) 4.727 21.322 ( -1.993 -0.047 -3.486) 4.016 21.322 ( 1.993 -0.047 3.486) 4.016 22.850 ( 0.059 -0.383 -1.890) 1.929 22.850 ( -0.059 -0.383 1.890) 1.929 23.007 ( -0.524 -0.068 -0.807) 0.964 23.007 ( 0.524 -0.068 0.807) 0.964 23.314 ( 0.760 3.068 -1.682) 3.581 23.314 ( -0.760 3.068 1.682) 3.581 23.394 ( -0.110 -0.925 -3.623) 3.740 23.394 ( 0.110 -0.925 3.623) 3.741 23.730 ( -0.180 0.972 -0.573) 1.143 23.730 ( 0.180 0.972 0.573) 1.143 23.856 ( -0.358 0.119 -0.943) 1.016 23.856 ( 0.358 0.119 0.943) 1.016 24.236 ( -0.526 4.676 -4.744) 6.682 24.236 ( 0.526 4.676 4.744) 6.682 24.550 ( -1.319 -4.748 -0.971) 5.023 24.550 ( 1.319 -4.748 0.971) 5.023 24.999 ( -0.022 3.030 -1.658) 3.454 24.999 ( 0.022 3.030 1.658) 3.454 25.174 ( 0.211 -3.763 -2.196) 4.362 25.174 ( -0.211 -3.763 2.196) 4.362 25.585 ( 0.465 4.712 -3.420) 5.840 25.585 ( -0.465 4.712 3.420) 5.840 25.958 ( 0.167 -6.986 -3.446) 7.791 25.958 ( -0.167 -6.986 3.446) 7.791 ======================= Grid point 183 (83/88) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.000 0.000 0.000) 0.000 1.048 ( -0.000 0.000 0.000) 0.000 1.691 ( 0.000 -0.000 0.000) 0.000 1.691 ( 0.000 0.000 -0.000) 0.000 1.726 ( -0.000 -0.000 0.000) 0.000 1.726 ( 0.000 0.000 0.000) 0.000 1.904 ( -0.000 0.000 -0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 -0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 -0.000 -0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.511 ( -0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 -0.000 0.000) 0.000 3.009 ( -0.000 0.000 -0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.150 ( -0.000 0.000 0.000) 0.000 3.150 ( -0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.612 ( -0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 0.000) 0.000 3.698 ( -0.000 -0.000 -0.000) 0.000 3.698 ( -0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.764 ( -0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.287 ( -0.000 0.000 -0.000) 0.000 4.287 ( -0.000 0.000 0.000) 0.000 4.560 ( -0.000 0.000 0.000) 0.000 4.560 ( -0.000 0.000 0.000) 0.000 4.684 ( 0.000 -0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.142 ( -0.000 0.000 0.000) 0.000 5.142 ( -0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 5.820 ( -0.000 0.000 0.000) 0.000 5.896 ( 0.000 0.000 0.000) 0.000 5.896 ( -0.000 0.000 0.000) 0.000 6.618 ( -0.000 0.000 0.000) 0.000 6.618 ( 0.000 0.000 0.000) 0.000 6.759 ( 0.000 0.000 -0.000) 0.000 6.759 ( -0.000 0.000 0.000) 0.000 6.843 ( -0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 7.010 ( -0.000 0.000 0.000) 0.000 7.010 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 -0.000 0.000) 0.000 7.046 ( 0.000 -0.000 0.000) 0.000 7.576 ( 0.000 0.000 0.000) 0.000 7.576 ( 0.000 0.000 0.000) 0.000 7.789 ( 0.000 0.000 -0.000) 0.000 7.789 ( -0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.314 ( 0.000 0.000 0.000) 0.000 8.314 ( 0.000 0.000 0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 8.462 ( 0.000 0.000 -0.000) 0.000 8.611 ( -0.000 0.000 0.000) 0.000 8.611 ( 0.000 0.000 0.000) 0.000 8.763 ( -0.000 0.000 0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 9.543 ( 0.000 0.000 0.000) 0.000 9.543 ( 0.000 0.000 0.000) 0.000 10.141 ( -0.000 0.000 0.000) 0.000 10.141 ( 0.000 0.000 0.000) 0.000 10.387 ( -0.000 0.000 0.000) 0.000 10.387 ( 0.000 0.000 0.000) 0.000 10.732 ( -0.000 0.000 0.000) 0.000 10.732 ( -0.000 0.000 0.000) 0.000 11.180 ( -0.000 0.000 -0.000) 0.000 11.180 ( 0.000 0.000 0.000) 0.000 11.529 ( 0.000 0.000 0.000) 0.000 11.529 ( 0.000 0.000 0.000) 0.000 11.561 ( -0.000 0.000 -0.000) 0.000 11.561 ( -0.000 0.000 0.000) 0.000 11.755 ( -0.000 0.000 0.000) 0.000 11.755 ( -0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 12.415 ( -0.000 0.000 0.000) 0.000 12.591 ( 0.000 0.000 -0.000) 0.000 12.591 ( -0.000 0.000 0.000) 0.000 12.787 ( 0.000 0.000 0.000) 0.000 12.787 ( 0.000 0.000 0.000) 0.000 13.076 ( 0.000 0.000 0.000) 0.000 13.076 ( -0.000 0.000 0.000) 0.000 13.436 ( 0.000 0.000 0.000) 0.000 13.436 ( 0.000 0.000 0.000) 0.000 13.590 ( -0.000 0.000 0.000) 0.000 13.590 ( -0.000 0.000 0.000) 0.000 16.102 ( -0.000 0.000 0.000) 0.000 16.102 ( 0.000 0.000 0.000) 0.000 16.358 ( 0.000 0.000 0.000) 0.000 16.358 ( -0.000 0.000 0.000) 0.000 21.387 ( 0.000 0.000 0.000) 0.000 21.387 ( 0.000 0.000 0.000) 0.000 21.775 ( -0.000 0.000 -0.000) 0.000 21.775 ( 0.000 0.000 0.000) 0.000 22.733 ( -0.000 0.000 0.000) 0.000 22.733 ( -0.000 0.000 0.000) 0.000 23.008 ( -0.000 0.000 0.000) 0.000 23.008 ( 0.000 0.000 0.000) 0.000 23.161 ( -0.000 0.000 0.000) 0.000 23.161 ( -0.000 0.000 0.000) 0.000 23.440 ( 0.000 0.000 0.000) 0.000 23.440 ( -0.000 0.000 0.000) 0.000 23.715 ( -0.000 0.000 0.000) 0.000 23.715 ( -0.000 0.000 0.000) 0.000 23.832 ( 0.000 0.000 0.000) 0.000 23.832 ( 0.000 0.000 0.000) 0.000 24.255 ( 0.000 0.000 0.000) 0.000 24.255 ( -0.000 0.000 0.000) 0.000 24.549 ( 0.000 0.000 0.000) 0.000 24.549 ( 0.000 0.000 0.000) 0.000 25.047 ( -0.000 0.000 0.000) 0.000 25.047 ( -0.000 0.000 0.000) 0.000 25.180 ( 0.000 0.000 0.000) 0.000 25.180 ( 0.000 0.000 0.000) 0.000 25.462 ( -0.000 0.000 -0.000) 0.000 25.462 ( 0.000 0.000 0.000) 0.000 25.538 ( 0.000 0.000 -0.000) 0.000 25.538 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 187 (84/88) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 8.378 -8.924 3.661) 12.777 1.144 ( 8.378 8.924 3.661) 12.777 1.537 ( -6.496 -16.952 -3.494) 18.488 1.537 ( -6.496 16.952 -3.494) 18.488 1.817 ( 2.782 -11.770 -1.742) 12.219 1.817 ( 2.782 11.770 -1.742) 12.219 1.874 ( -1.492 -6.383 -3.796) 7.575 1.874 ( -1.492 6.383 -3.796) 7.575 2.029 ( 3.428 -3.522 1.729) 5.210 2.029 ( 3.428 3.522 1.729) 5.210 2.396 ( -2.825 -3.666 -0.908) 4.717 2.396 ( -2.825 3.666 -0.908) 4.717 2.608 ( 4.184 -4.456 -0.032) 6.112 2.608 ( 4.184 4.456 -0.032) 6.112 2.751 ( 0.336 -4.615 -0.068) 4.627 2.751 ( 0.336 4.615 -0.068) 4.627 2.813 ( 2.796 -3.831 -0.285) 4.751 2.813 ( 2.796 3.831 -0.285) 4.751 3.056 ( -0.794 -2.701 2.474) 3.748 3.056 ( -0.794 2.701 2.474) 3.748 3.161 ( -0.258 -7.560 6.754) 10.141 3.161 ( -0.258 7.560 6.754) 10.141 3.266 ( 5.127 -6.261 -1.704) 8.269 3.266 ( 5.127 6.261 -1.704) 8.269 3.582 ( -1.391 -7.502 -1.885) 7.859 3.582 ( -1.391 7.502 -1.885) 7.859 3.738 ( 2.457 -4.249 0.841) 4.979 3.738 ( 2.457 4.249 0.841) 4.979 3.785 ( 2.811 -4.106 -0.626) 5.015 3.785 ( 2.811 4.106 -0.626) 5.015 3.897 ( -2.232 -4.185 -1.261) 4.908 3.897 ( -2.232 4.185 -1.261) 4.908 4.203 ( -2.457 -2.837 -0.313) 3.766 4.203 ( -2.457 2.837 -0.313) 3.766 4.347 ( 3.546 -4.299 0.790) 5.628 4.347 ( 3.546 4.299 0.790) 5.628 4.510 ( -3.464 -5.821 -2.703) 7.293 4.510 ( -3.464 5.821 -2.703) 7.293 4.721 ( 3.225 -3.616 -0.612) 4.884 4.721 ( 3.225 3.616 -0.612) 4.884 4.900 ( -1.327 -4.211 2.040) 4.863 4.900 ( -1.327 4.211 2.040) 4.863 5.159 ( 1.774 -3.969 -0.908) 4.442 5.159 ( 1.774 3.969 -0.908) 4.442 5.798 ( -3.287 -3.187 2.807) 5.371 5.798 ( -3.287 3.187 2.807) 5.371 5.906 ( 1.582 -2.942 -2.189) 3.994 5.906 ( 1.582 2.942 -2.189) 3.994 6.563 ( -5.531 -4.760 0.591) 7.321 6.563 ( -5.531 4.760 0.591) 7.321 6.753 ( -0.033 -7.897 -1.922) 8.128 6.753 ( -0.033 7.897 -1.922) 8.128 6.840 ( -1.184 -6.163 0.708) 6.316 6.840 ( -1.184 6.163 0.708) 6.316 7.011 ( -0.650 -4.117 0.774) 4.239 7.011 ( -0.650 4.117 0.774) 4.239 7.065 ( 1.727 -7.206 1.486) 7.557 7.065 ( 1.727 7.206 1.486) 7.557 7.559 ( -0.660 -3.871 -2.850) 4.852 7.559 ( -0.660 3.871 -2.850) 4.852 7.800 ( 0.616 -1.547 0.796) 1.846 7.800 ( 0.616 1.547 0.796) 1.846 8.007 ( 0.375 -1.999 0.913) 2.229 8.007 ( 0.375 1.999 0.913) 2.229 8.271 ( -4.222 -2.756 0.581) 5.075 8.271 ( -4.222 2.756 0.581) 5.075 8.423 ( -5.007 -5.300 0.049) 7.291 8.423 ( -5.007 5.300 0.049) 7.291 8.612 ( 1.482 -3.823 -0.700) 4.160 8.612 ( 1.482 3.823 -0.700) 4.160 8.789 ( 1.727 -3.535 0.335) 3.948 8.789 ( 1.727 3.535 0.335) 3.948 9.538 ( -0.392 -0.844 -0.146) 0.942 9.538 ( -0.392 0.844 -0.146) 0.942 10.148 ( 0.561 -2.149 0.345) 2.247 10.148 ( 0.561 2.149 0.345) 2.247 10.400 ( 2.061 -4.484 -1.056) 5.047 10.400 ( 2.061 4.484 -1.056) 5.047 10.756 ( 1.932 -4.864 1.449) 5.431 10.756 ( 1.932 4.864 1.449) 5.431 11.166 ( -1.190 -2.703 -0.216) 2.961 11.166 ( -1.190 2.703 -0.216) 2.961 11.484 ( -4.747 -3.946 -1.057) 6.263 11.484 ( -4.747 3.946 -1.057) 6.263 11.595 ( 3.156 -1.643 1.731) 3.956 11.595 ( 3.156 1.643 1.731) 3.956 11.751 ( 0.251 -4.901 -1.120) 5.034 11.751 ( 0.251 4.901 -1.120) 5.034 12.378 ( -4.289 -3.660 1.146) 5.754 12.378 ( -4.289 3.660 1.146) 5.754 12.636 ( 3.528 -0.230 1.683) 3.916 12.636 ( 3.528 0.230 1.683) 3.916 12.767 ( -1.207 -2.146 -1.300) 2.784 12.767 ( -1.207 2.146 -1.300) 2.784 13.082 ( 0.898 -2.798 -0.906) 3.075 13.082 ( 0.898 2.798 -0.906) 3.075 13.392 ( -5.155 -5.438 1.520) 7.646 13.392 ( -5.155 5.438 1.520) 7.646 13.600 ( 1.064 -7.469 -1.098) 7.624 13.600 ( 1.064 7.469 -1.098) 7.624 16.092 ( -1.058 -1.550 0.007) 1.876 16.092 ( -1.058 1.550 0.007) 1.876 16.339 ( -2.054 -0.106 0.051) 2.058 16.339 ( -2.054 0.106 0.051) 2.058 21.347 ( -2.387 -1.527 -4.337) 5.180 21.347 ( -2.387 1.527 -4.337) 5.180 21.735 ( -5.973 -3.116 4.217) 7.948 21.735 ( -5.973 3.116 4.217) 7.948 22.753 ( 1.918 -1.087 0.324) 2.228 22.753 ( 1.918 1.087 0.324) 2.228 23.019 ( 0.959 -4.063 -1.803) 4.548 23.019 ( 0.959 4.063 -1.803) 4.548 23.169 ( 0.720 -2.497 2.833) 3.845 23.169 ( 0.720 2.497 2.833) 3.845 23.447 ( 0.596 -1.556 -1.112) 2.003 23.447 ( 0.596 1.556 -1.112) 2.003 23.696 ( -0.649 -0.598 -1.037) 1.361 23.696 ( -0.649 0.598 -1.037) 1.361 23.857 ( 0.994 -0.892 2.412) 2.757 23.857 ( 0.994 0.892 2.412) 2.757 24.239 ( 0.458 -3.327 -4.090) 5.292 24.239 ( 0.458 3.327 -4.090) 5.292 24.567 ( 0.761 -1.726 1.568) 2.453 24.567 ( 0.761 1.726 1.568) 2.453 25.044 ( -0.283 -2.911 -0.160) 2.929 25.044 ( -0.283 2.911 -0.160) 2.929 25.160 ( -1.894 -2.221 0.288) 2.933 25.160 ( -1.894 2.221 0.288) 2.933 25.478 ( 2.116 -1.901 -0.176) 2.850 25.478 ( 2.116 1.901 -0.176) 2.850 25.589 ( 4.583 -4.972 0.895) 6.821 25.589 ( 4.583 4.972 0.895) 6.821 ======================= Grid point 189 (85/88) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 7.415 -11.529 5.604) 14.809 1.344 ( 7.415 11.529 5.604) 14.809 1.459 ( 3.829 -11.299 -8.256) 14.508 1.459 ( 3.829 11.299 -8.256) 14.508 1.779 ( -1.557 -4.070 -0.065) 4.358 1.779 ( -1.557 4.070 -0.065) 4.358 1.901 ( 3.357 -7.889 0.815) 8.613 1.901 ( 3.357 7.889 0.815) 8.613 2.078 ( 3.184 -2.686 -2.447) 4.831 2.078 ( 3.184 2.686 -2.447) 4.831 2.368 ( 0.258 -0.478 -0.727) 0.908 2.368 ( 0.258 0.478 -0.727) 0.908 2.642 ( -0.950 -6.843 -0.334) 6.917 2.642 ( -0.950 6.843 -0.334) 6.917 2.755 ( -0.432 -9.315 1.116) 9.392 2.755 ( -0.432 9.315 1.116) 9.392 2.867 ( -0.296 -3.178 1.867) 3.697 2.867 ( -0.296 3.178 1.867) 3.697 3.023 ( 0.072 -1.487 2.025) 2.514 3.023 ( 0.072 1.487 2.025) 2.514 3.234 ( 1.032 -4.459 3.286) 5.634 3.234 ( 1.032 4.459 3.286) 5.634 3.390 ( 7.194 -8.630 1.247) 11.304 3.390 ( 7.194 8.630 1.247) 11.304 3.570 ( 3.170 -9.029 -2.521) 9.896 3.570 ( 3.170 9.029 -2.521) 9.896 3.776 ( -2.789 -2.018 -1.630) 3.809 3.776 ( -2.789 2.018 -1.630) 3.809 3.809 ( 3.037 -4.946 1.082) 5.904 3.809 ( 3.037 4.946 1.082) 5.904 3.867 ( 2.139 -4.680 -1.273) 5.301 3.867 ( 2.139 4.680 -1.273) 5.301 4.164 ( -2.503 -6.175 0.577) 6.688 4.164 ( -2.503 6.175 0.577) 6.688 4.384 ( -1.797 -3.517 -1.524) 4.234 4.384 ( -1.797 3.517 -1.524) 4.234 4.456 ( 2.802 -8.693 -2.072) 9.366 4.456 ( 2.802 8.693 -2.072) 9.366 4.770 ( 3.376 -0.986 -1.551) 3.844 4.770 ( 3.376 0.986 -1.551) 3.844 4.913 ( 0.620 -3.899 3.148) 5.049 4.913 ( 0.620 3.899 3.148) 5.049 5.175 ( 0.552 -4.703 -0.882) 4.816 5.175 ( 0.552 4.703 -0.882) 4.816 5.758 ( -3.370 -4.464 2.650) 6.189 5.758 ( -3.370 4.464 2.650) 6.189 5.903 ( -0.660 -3.741 -1.594) 4.119 5.903 ( -0.660 3.741 -1.594) 4.119 6.463 ( -5.865 -5.179 0.931) 7.880 6.463 ( -5.865 5.179 0.931) 7.880 6.726 ( -1.661 -9.148 -1.549) 9.426 6.726 ( -1.661 9.148 -1.549) 9.426 6.813 ( -1.647 -7.125 -0.492) 7.329 6.813 ( -1.647 7.125 -0.492) 7.329 6.984 ( -3.070 -4.325 1.187) 5.435 6.984 ( -3.070 4.325 1.187) 5.435 7.126 ( 3.085 -8.725 2.116) 9.493 7.126 ( 3.085 8.725 2.116) 9.493 7.517 ( -1.109 -6.848 -3.776) 7.899 7.517 ( -1.109 6.848 -3.776) 7.899 7.810 ( -0.734 -2.376 0.988) 2.676 7.810 ( -0.734 2.376 0.988) 2.676 8.027 ( 0.706 -0.976 1.894) 2.245 8.027 ( 0.706 0.976 1.894) 2.245 8.192 ( -4.728 -1.906 -0.753) 5.153 8.192 ( -4.728 1.906 -0.753) 5.153 8.318 ( -5.464 -3.497 0.468) 6.504 8.318 ( -5.464 3.497 0.468) 6.504 8.646 ( 2.058 -3.284 -0.073) 3.876 8.646 ( 2.058 3.284 -0.073) 3.876 8.806 ( 0.007 -4.013 -0.290) 4.023 8.806 ( 0.007 4.013 -0.290) 4.023 9.532 ( -0.124 -1.235 -0.089) 1.244 9.532 ( -0.124 1.235 -0.089) 1.244 10.157 ( 0.085 -2.598 0.171) 2.605 10.157 ( 0.085 2.598 0.171) 2.605 10.449 ( 4.343 -6.318 -0.941) 7.725 10.449 ( 4.343 6.318 -0.941) 7.725 10.812 ( 2.345 -6.404 2.534) 7.276 10.812 ( 2.345 6.404 2.534) 7.276 11.142 ( -0.990 -3.823 -1.296) 4.157 11.142 ( -0.990 3.823 -1.296) 4.157 11.376 ( -5.837 -5.885 -0.690) 8.317 11.376 ( -5.837 5.885 -0.690) 8.317 11.670 ( 3.498 -0.805 0.741) 3.665 11.670 ( 3.498 0.805 0.741) 3.665 11.759 ( 1.705 -6.185 -0.277) 6.422 11.759 ( 1.705 6.185 -0.277) 6.422 12.293 ( -6.137 -5.058 1.358) 8.068 12.293 ( -6.137 5.058 1.358) 8.068 12.684 ( 0.931 -6.872 -2.395) 7.337 12.684 ( 0.931 6.872 -2.395) 7.337 12.772 ( 2.113 -4.465 3.316) 5.950 12.772 ( 2.113 4.465 3.316) 5.950 13.089 ( 1.121 -3.345 -2.203) 4.160 13.089 ( 1.121 3.345 -2.203) 4.160 13.297 ( -6.496 -2.533 2.164) 7.300 13.297 ( -6.496 2.533 2.164) 7.300 13.599 ( 0.038 -7.609 -1.820) 7.824 13.599 ( 0.038 7.609 -1.820) 7.824 16.071 ( -1.211 -2.044 0.000) 2.376 16.071 ( -1.211 2.044 0.000) 2.376 16.293 ( -3.020 -0.048 -0.002) 3.021 16.293 ( -3.020 0.048 -0.002) 3.021 21.262 ( -3.213 -1.734 -3.378) 4.974 21.262 ( -3.213 1.734 -3.378) 4.974 21.642 ( -7.309 -3.003 3.062) 8.475 21.642 ( -7.309 3.003 3.062) 8.475 22.794 ( 2.409 -1.546 -0.138) 2.865 22.794 ( 2.409 1.546 -0.138) 2.865 23.002 ( -0.220 -3.373 -2.920) 4.467 23.002 ( -0.220 3.373 -2.920) 4.467 23.237 ( 2.408 -3.511 5.809) 7.202 23.237 ( 2.408 3.511 5.809) 7.202 23.430 ( -0.945 -2.755 -2.092) 3.586 23.430 ( -0.945 2.755 -2.092) 3.586 23.697 ( 1.154 -0.767 -0.232) 1.405 23.697 ( 1.154 0.767 -0.232) 1.405 23.883 ( 0.004 -1.515 1.367) 2.041 23.883 ( 0.004 1.515 1.367) 2.041 24.230 ( 1.894 -6.080 -2.992) 7.036 24.230 ( 1.894 6.080 -2.992) 7.036 24.576 ( -1.057 -2.475 0.964) 2.859 24.576 ( -1.057 2.475 0.964) 2.859 25.033 ( -0.556 -3.594 -0.365) 3.655 25.033 ( -0.556 3.594 -0.365) 3.655 25.135 ( -0.870 -2.977 0.098) 3.103 25.135 ( -0.870 2.977 0.098) 3.103 25.529 ( 3.391 -2.631 -0.025) 4.292 25.529 ( 3.391 2.631 -0.025) 4.292 25.689 ( 5.541 -6.469 0.775) 8.553 25.689 ( 5.541 6.469 0.775) 8.553 ======================= Grid point 191 (86/88) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 3.622 -11.181 -5.980) 13.187 1.395 ( 3.622 11.181 -5.980) 13.187 1.592 ( 6.943 -8.353 5.464) 12.159 1.592 ( 6.943 8.353 5.464) 12.159 1.812 ( 4.374 -7.829 1.178) 9.045 1.812 ( 4.374 7.829 1.178) 9.045 1.997 ( 6.400 -10.148 1.330) 12.071 1.997 ( 6.400 10.148 1.330) 12.071 2.139 ( 6.814 -0.442 -4.048) 7.937 2.139 ( 6.814 0.442 -4.048) 7.937 2.380 ( 0.181 -1.145 1.060) 1.571 2.380 ( 0.181 1.145 1.060) 1.571 2.557 ( -7.229 -5.553 1.662) 9.265 2.557 ( -7.229 5.553 1.662) 9.265 2.744 ( -2.535 -5.564 1.415) 6.276 2.744 ( -2.535 5.564 1.415) 6.276 2.844 ( -1.951 -1.880 0.515) 2.758 2.844 ( -1.951 1.880 0.515) 2.758 3.049 ( -1.031 -2.028 -1.606) 2.785 3.049 ( -1.031 2.028 -1.606) 2.785 3.265 ( 2.450 -3.355 1.112) 4.300 3.265 ( 2.450 3.355 1.112) 4.300 3.456 ( -1.791 -2.383 3.461) 4.568 3.456 ( -1.791 2.383 3.461) 4.568 3.596 ( -2.221 -5.280 -3.025) 6.478 3.596 ( -2.221 5.280 -3.025) 6.478 3.743 ( 3.832 -4.170 -0.453) 5.681 3.743 ( 3.832 4.170 -0.453) 5.681 3.880 ( 4.907 -3.785 -0.713) 6.238 3.880 ( 4.907 3.785 -0.713) 6.238 3.959 ( 8.044 -3.436 -1.040) 8.808 3.959 ( 8.044 3.436 -1.040) 8.808 4.115 ( -2.076 -6.588 -1.572) 7.084 4.115 ( -2.076 6.588 -1.572) 7.084 4.326 ( -2.604 -2.366 0.855) 3.621 4.326 ( -2.604 2.366 0.855) 3.621 4.519 ( 3.095 -10.370 -0.769) 10.850 4.519 ( 3.095 10.370 -0.769) 10.850 4.832 ( 5.036 -2.321 -0.667) 5.585 4.832 ( 5.036 2.321 -0.667) 5.585 4.960 ( 2.705 -2.822 1.520) 4.194 4.960 ( 2.705 2.822 1.520) 4.194 5.169 ( -0.493 -4.561 -0.344) 4.600 5.169 ( -0.493 4.561 -0.344) 4.600 5.716 ( -3.188 -6.077 1.233) 6.972 5.716 ( -3.188 6.077 1.233) 6.972 5.849 ( -4.665 -5.671 -0.332) 7.351 5.849 ( -4.665 5.671 -0.332) 7.351 6.386 ( -3.310 -3.951 0.825) 5.220 6.386 ( -3.310 3.951 0.825) 5.220 6.678 ( -2.342 -9.722 -1.066) 10.057 6.678 ( -2.342 9.722 -1.066) 10.057 6.774 ( -2.707 -9.293 -0.632) 9.700 6.774 ( -2.707 9.293 -0.632) 9.700 6.944 ( -1.444 -3.998 1.295) 4.443 6.944 ( -1.444 3.998 1.295) 4.443 7.186 ( 1.573 -7.942 1.500) 8.234 7.186 ( 1.573 7.942 1.500) 8.234 7.475 ( -0.422 -7.661 -2.876) 8.194 7.475 ( -0.422 7.661 -2.876) 8.194 7.777 ( -3.616 -2.938 0.680) 4.708 7.777 ( -3.616 2.938 0.680) 4.708 8.026 ( -4.132 -2.251 -0.508) 4.733 8.026 ( -4.132 2.251 -0.508) 4.733 8.118 ( -0.703 -5.072 1.554) 5.351 8.118 ( -0.703 5.072 1.554) 5.351 8.272 ( -0.498 -1.631 0.138) 1.711 8.272 ( -0.498 1.631 0.138) 1.711 8.671 ( 0.791 -2.809 -0.723) 3.007 8.671 ( 0.791 2.809 -0.723) 3.007 8.792 ( -0.981 -3.878 -0.101) 4.001 8.792 ( -0.981 3.878 -0.101) 4.001 9.532 ( 0.142 -1.137 -0.093) 1.149 9.532 ( 0.142 1.137 -0.093) 1.149 10.154 ( -0.421 -1.727 0.041) 1.778 10.154 ( -0.421 1.727 0.041) 1.778 10.534 ( 5.555 -6.080 -0.479) 8.250 10.534 ( 5.555 6.080 -0.479) 8.250 10.860 ( 0.154 -3.808 2.851) 4.759 10.860 ( 0.154 3.808 2.851) 4.759 11.114 ( -0.697 -2.779 -1.176) 3.097 11.114 ( -0.697 2.779 -1.176) 3.097 11.290 ( -2.723 -4.927 -1.867) 5.931 11.290 ( -2.723 4.927 -1.867) 5.931 11.722 ( 1.952 -2.288 1.397) 3.316 11.722 ( 1.952 2.288 1.397) 3.316 11.812 ( 3.985 -2.618 -0.126) 4.770 11.812 ( 3.985 2.618 -0.126) 4.770 12.187 ( -6.313 -4.295 0.036) 7.635 12.187 ( -6.313 4.295 0.036) 7.635 12.678 ( 0.658 -9.095 -1.242) 9.203 12.678 ( 0.658 9.095 -1.242) 9.203 12.833 ( 0.962 -5.947 2.758) 6.626 12.833 ( 0.962 5.947 2.758) 6.626 13.082 ( -0.638 -0.874 -1.570) 1.907 13.082 ( -0.638 0.874 -1.570) 1.907 13.221 ( -2.683 -3.275 1.069) 4.367 13.221 ( -2.683 3.275 1.069) 4.367 13.577 ( -0.998 -4.505 -1.600) 4.884 13.577 ( -0.998 4.505 -1.600) 4.884 16.054 ( -0.629 -1.640 0.007) 1.756 16.054 ( -0.629 1.640 0.007) 1.756 16.240 ( -2.840 -0.046 -0.012) 2.840 16.240 ( -2.840 0.046 -0.012) 2.840 21.204 ( -1.786 -1.863 0.508) 2.630 21.204 ( -1.786 1.863 0.508) 2.630 21.527 ( -6.522 -2.002 -0.895) 6.880 21.527 ( -6.522 2.002 -0.895) 6.880 22.828 ( 1.743 -1.729 -0.907) 2.617 22.828 ( 1.743 1.729 -0.907) 2.617 22.987 ( 0.372 -1.212 -0.991) 1.609 22.987 ( 0.372 1.212 -0.991) 1.609 23.311 ( 0.717 -1.813 5.585) 5.915 23.311 ( 0.717 1.813 5.585) 5.915 23.399 ( -0.244 -3.974 -2.393) 4.646 23.399 ( -0.244 3.974 -2.393) 4.646 23.718 ( 1.081 -1.061 -0.014) 1.515 23.718 ( 1.081 1.061 -0.014) 1.515 23.878 ( -0.777 -2.231 -0.127) 2.366 23.878 ( -0.777 2.231 -0.127) 2.366 24.258 ( 2.332 -6.308 -0.459) 6.741 24.258 ( 2.332 6.308 -0.459) 6.741 24.545 ( -2.515 -3.394 -0.105) 4.225 24.545 ( -2.515 3.394 -0.105) 4.225 25.029 ( 0.307 -2.939 -0.039) 2.955 25.029 ( 0.307 2.939 -0.039) 2.955 25.126 ( -0.205 -2.754 -0.370) 2.787 25.126 ( -0.205 2.754 -0.370) 2.787 25.588 ( 3.157 -2.745 -0.079) 4.184 25.588 ( 3.157 2.745 -0.079) 4.184 25.784 ( 4.485 -5.629 0.394) 7.208 25.784 ( 4.485 5.629 0.394) 7.208 ======================= Grid point 193 (87/88) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 8.083 -3.692 -1.882) 9.083 1.468 ( 8.083 3.692 -1.882) 9.083 1.691 ( -1.396 -3.113 5.436) 6.417 1.691 ( -1.396 3.113 5.436) 6.417 1.924 ( 7.631 -5.024 -1.853) 9.322 1.924 ( 7.631 5.024 -1.853) 9.322 2.088 ( 2.110 -8.309 -0.024) 8.573 2.088 ( 2.110 8.309 -0.024) 8.573 2.253 ( 6.448 -1.990 -1.822) 6.989 2.253 ( 6.448 1.990 -1.822) 6.989 2.379 ( -0.704 -1.104 3.189) 3.447 2.379 ( -0.704 1.104 3.189) 3.447 2.484 ( -2.094 -4.220 2.958) 5.562 2.484 ( -2.094 4.220 2.958) 5.562 2.671 ( -5.594 -1.135 -0.861) 5.772 2.671 ( -5.594 1.135 -0.861) 5.772 2.831 ( 1.614 -4.314 -2.160) 5.088 2.831 ( 1.614 4.314 -2.160) 5.088 2.966 ( -5.242 -2.882 -2.354) 6.428 2.966 ( -5.242 2.882 -2.354) 6.428 3.302 ( -0.580 -4.136 1.083) 4.315 3.302 ( -0.580 4.136 1.083) 4.315 3.408 ( -2.880 -6.636 -0.489) 7.251 3.408 ( -2.880 6.636 -0.489) 7.251 3.542 ( -2.323 -4.900 2.204) 5.854 3.542 ( -2.323 4.900 2.204) 5.854 3.829 ( 4.939 -2.701 0.539) 5.655 3.829 ( 4.939 2.701 0.539) 5.655 3.968 ( 3.210 -4.378 -1.632) 5.669 3.968 ( 3.210 4.378 -1.632) 5.669 4.007 ( 1.095 -8.403 -1.808) 8.665 4.007 ( 1.095 8.403 -1.808) 8.665 4.147 ( 4.020 -6.330 -1.513) 7.650 4.147 ( 4.020 6.330 -1.513) 7.650 4.320 ( 1.852 -2.693 1.231) 3.493 4.320 ( 1.852 2.693 1.231) 3.493 4.521 ( -2.806 -8.805 1.179) 9.316 4.521 ( -2.806 8.805 1.179) 9.316 4.942 ( 7.165 -4.124 -0.400) 8.277 4.942 ( 7.165 4.124 -0.400) 8.277 5.030 ( 4.329 -3.987 -0.110) 5.887 5.030 ( 4.329 3.987 -0.110) 5.887 5.152 ( -1.614 -4.873 0.125) 5.135 5.152 ( -1.614 4.873 0.125) 5.135 5.654 ( -4.406 -7.513 -0.217) 8.712 5.654 ( -4.406 7.513 -0.217) 8.712 5.757 ( -4.613 -6.839 0.676) 8.277 5.757 ( -4.613 6.839 0.676) 8.277 6.357 ( -0.684 -1.809 0.380) 1.971 6.357 ( -0.684 1.809 0.380) 1.971 6.639 ( -0.968 -10.044 -0.801) 10.122 6.639 ( -0.968 10.044 -0.801) 10.122 6.706 ( -4.061 -10.319 -0.153) 11.090 6.706 ( -4.061 10.319 -0.153) 11.090 6.969 ( 2.401 -5.031 1.949) 5.905 6.969 ( 2.401 5.031 1.949) 5.905 7.189 ( -1.535 -5.816 -0.743) 6.061 7.189 ( -1.535 5.816 -0.743) 6.061 7.470 ( 1.341 -5.225 -0.685) 5.438 7.470 ( 1.341 5.225 -0.685) 5.438 7.704 ( -4.422 -3.034 0.128) 5.364 7.704 ( -4.422 3.034 0.128) 5.364 7.926 ( -4.150 -2.361 -1.435) 4.986 7.926 ( -4.150 2.361 -1.435) 4.986 8.164 ( 1.860 -2.311 3.565) 4.637 8.164 ( 1.860 2.311 3.565) 4.637 8.273 ( 0.685 -2.077 -1.614) 2.718 8.273 ( 0.685 2.077 -1.614) 2.718 8.660 ( -0.910 -1.226 -1.169) 1.923 8.660 ( -0.910 1.226 -1.169) 1.923 8.783 ( -0.111 -1.947 0.425) 1.996 8.783 ( -0.111 1.947 0.425) 1.996 9.534 ( 0.114 -0.651 -0.108) 0.670 9.534 ( 0.114 0.651 -0.108) 0.670 10.147 ( -0.397 -0.741 0.029) 0.841 10.147 ( -0.397 0.741 0.029) 0.841 10.628 ( 5.007 -4.718 -0.303) 6.886 10.628 ( 5.007 4.718 -0.303) 6.886 10.848 ( -2.925 -1.584 1.473) 3.638 10.848 ( -2.925 1.584 1.473) 3.638 11.118 ( 1.041 -2.269 1.432) 2.878 11.118 ( 1.041 2.269 1.432) 2.878 11.241 ( -0.979 -2.852 -3.219) 4.411 11.241 ( -0.979 2.852 -3.219) 4.411 11.770 ( 1.966 -2.295 1.841) 3.539 11.770 ( 1.966 2.295 1.841) 3.539 11.883 ( 3.845 -0.805 -0.064) 3.929 11.883 ( 3.845 0.805 -0.064) 3.929 12.077 ( -5.350 -2.320 -1.175) 5.949 12.077 ( -5.350 2.320 -1.175) 5.949 12.687 ( 0.314 -7.124 0.438) 7.145 12.687 ( 0.314 7.124 0.438) 7.145 12.848 ( -0.131 -3.914 1.099) 4.068 12.848 ( -0.131 3.914 1.099) 4.068 13.039 ( -2.692 -3.083 -0.907) 4.192 13.039 ( -2.692 3.083 -0.907) 4.192 13.224 ( 1.621 -2.141 0.089) 2.687 13.224 ( 1.621 2.141 0.089) 2.687 13.547 ( -1.144 -1.496 -0.706) 2.011 13.547 ( -1.144 1.496 -0.706) 2.011 16.048 ( -0.064 -0.876 0.005) 0.878 16.048 ( -0.064 0.876 0.005) 0.878 16.197 ( -1.797 -0.052 0.008) 1.797 16.197 ( -1.797 0.052 0.008) 1.797 21.210 ( 0.542 -1.719 3.656) 4.077 21.210 ( 0.542 1.719 3.656) 4.077 21.404 ( -5.004 -1.441 -3.967) 6.546 21.404 ( -5.004 1.441 -3.967) 6.546 22.843 ( 0.769 -1.266 -0.882) 1.724 22.843 ( 0.769 1.266 -0.882) 1.724 22.998 ( 0.760 -0.673 0.334) 1.069 22.998 ( 0.760 0.673 0.334) 1.069 23.343 ( -0.891 -0.098 4.390) 4.480 23.343 ( -0.891 0.098 4.390) 4.480 23.386 ( 0.589 -3.679 -2.948) 4.750 23.386 ( 0.589 3.679 -2.948) 4.750 23.734 ( 0.687 -0.936 0.086) 1.164 23.734 ( 0.687 0.936 0.086) 1.164 23.863 ( -0.592 -1.130 -0.176) 1.288 23.863 ( -0.592 1.130 -0.176) 1.288 24.292 ( 1.266 -4.122 0.324) 4.324 24.292 ( 1.266 4.122 0.324) 4.324 24.501 ( -1.857 -2.969 -0.515) 3.540 24.501 ( -1.857 2.969 -0.515) 3.540 25.040 ( 0.674 -1.881 0.235) 2.011 25.040 ( 0.674 1.881 0.235) 2.011 25.120 ( -0.128 -1.882 -0.458) 1.941 25.120 ( -0.128 1.882 -0.458) 1.941 25.633 ( 1.864 -1.775 -0.099) 2.576 25.633 ( 1.864 1.775 -0.099) 2.576 25.848 ( 2.439 -3.198 0.131) 4.024 25.848 ( 2.439 3.198 0.131) 4.024 ======================= Grid point 195 (88/88) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -0.001 -0.000 -0.000) 0.001 1.618 ( -0.000 -0.000 0.000) 0.001 1.619 ( 0.000 0.000 -0.000) 0.001 1.619 ( 0.001 0.000 0.000) 0.001 2.010 ( -0.000 -0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 -0.000) 0.000 2.294 ( 0.000 0.000 -0.000) 0.000 2.294 ( 0.000 0.000 -0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.393 ( -0.000 0.000 -0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 -0.000) 0.000 2.581 ( -0.000 0.000 -0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.860 ( -0.000 -0.000 0.000) 0.000 2.860 ( -0.000 0.000 0.000) 0.000 2.878 ( 0.000 -0.000 -0.000) 0.000 2.878 ( 0.000 0.000 -0.000) 0.000 3.287 ( 0.000 0.000 -0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 -0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 -0.000) 0.000 3.899 ( -0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 -0.000 -0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 -0.000 -0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 -0.000) 0.000 4.134 ( -0.000 0.000 0.000) 0.000 4.379 ( 0.000 -0.000 0.000) 0.000 4.379 ( 0.000 0.000 -0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 -0.000) 0.000 5.024 ( 0.000 0.000 -0.000) 0.000 5.024 ( 0.000 0.000 -0.000) 0.000 5.084 ( -0.000 -0.000 0.000) 0.000 5.084 ( 0.000 0.000 -0.000) 0.000 5.120 ( 0.000 -0.000 -0.000) 0.000 5.120 ( -0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 -0.000) 0.000 5.597 ( 0.000 0.000 -0.000) 0.000 5.720 ( 0.000 -0.000 0.000) 0.000 5.720 ( 0.000 0.000 -0.000) 0.000 6.355 ( 0.000 0.000 -0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.635 ( -0.000 -0.000 0.000) 0.000 6.635 ( 0.000 0.000 -0.000) 0.000 6.657 ( 0.000 -0.000 -0.000) 0.000 6.657 ( -0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 -0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.155 ( 0.000 -0.000 0.000) 0.000 7.155 ( 0.000 0.000 -0.000) 0.000 7.489 ( 0.000 0.000 0.000) 0.000 7.489 ( 0.000 0.000 -0.000) 0.000 7.655 ( 0.000 0.000 -0.000) 0.000 7.655 ( 0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 0.000) 0.000 8.202 ( 0.000 -0.000 -0.000) 0.000 8.202 ( 0.000 -0.000 0.000) 0.000 8.269 ( 0.000 0.000 -0.000) 0.000 8.269 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 -0.000) 0.000 8.643 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 0.000) 0.000 9.534 ( 0.000 0.000 0.000) 0.000 9.534 ( 0.000 0.000 -0.000) 0.000 10.143 ( 0.000 0.000 -0.000) 0.000 10.143 ( 0.000 0.000 0.000) 0.000 10.682 ( 0.000 0.000 -0.000) 0.000 10.682 ( 0.000 0.000 0.000) 0.000 10.815 ( 0.000 0.000 -0.000) 0.000 10.815 ( 0.000 0.000 0.000) 0.000 11.144 ( 0.000 0.000 0.000) 0.000 11.144 ( 0.000 0.000 0.000) 0.000 11.213 ( 0.000 0.000 -0.000) 0.000 11.213 ( 0.000 0.000 0.000) 0.000 11.799 ( 0.000 0.000 -0.000) 0.000 11.799 ( 0.000 0.000 0.000) 0.000 11.932 ( -0.000 0.000 -0.000) 0.000 11.932 ( 0.000 0.000 -0.000) 0.000 12.007 ( 0.000 0.000 0.000) 0.000 12.007 ( 0.000 0.000 0.000) 0.000 12.690 ( 0.000 0.000 -0.000) 0.000 12.690 ( 0.000 0.000 -0.000) 0.000 12.855 ( 0.000 0.000 -0.000) 0.000 12.855 ( 0.000 0.000 0.000) 0.000 13.004 ( 0.000 0.000 -0.000) 0.000 13.004 ( 0.000 0.000 -0.000) 0.000 13.244 ( 0.000 -0.000 -0.000) 0.000 13.244 ( 0.000 0.000 0.000) 0.000 13.533 ( 0.000 0.000 0.000) 0.000 13.533 ( 0.000 0.000 0.000) 0.000 16.048 ( 0.000 0.000 0.000) 0.000 16.048 ( 0.000 0.000 0.000) 0.000 16.181 ( 0.000 0.000 -0.000) 0.000 16.181 ( 0.000 0.000 -0.000) 0.000 21.253 ( 0.000 0.000 -0.000) 0.000 21.253 ( 0.000 0.000 0.000) 0.000 21.320 ( -0.000 0.000 -0.000) 0.000 21.320 ( 0.000 0.000 0.000) 0.000 22.846 ( 0.000 0.000 -0.000) 0.000 22.846 ( 0.000 0.000 0.000) 0.000 23.007 ( 0.000 0.000 0.000) 0.000 23.007 ( 0.000 0.000 0.000) 0.000 23.355 ( 0.000 -0.000 -0.000) 0.000 23.355 ( 0.000 0.000 0.000) 0.000 23.374 ( 0.000 0.000 -0.000) 0.000 23.374 ( 0.000 0.000 0.000) 0.000 23.742 ( 0.000 0.000 -0.000) 0.000 23.742 ( 0.000 0.000 -0.000) 0.000 23.857 ( 0.000 0.000 -0.000) 0.000 23.857 ( 0.000 0.000 0.000) 0.000 24.304 ( 0.000 0.000 0.000) 0.000 24.304 ( 0.000 0.000 0.000) 0.000 24.481 ( 0.000 0.000 -0.000) 0.000 24.481 ( 0.000 0.000 0.000) 0.000 25.048 ( 0.000 -0.000 -0.000) 0.000 25.048 ( 0.000 0.000 0.000) 0.000 25.117 ( 0.000 0.000 0.000) 0.000 25.117 ( 0.000 0.000 0.000) 0.000 25.649 ( 0.000 0.000 -0.000) 0.000 25.649 ( 0.000 0.000 0.000) 0.000 25.870 ( 0.000 0.000 -0.000) 0.000 25.870 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/31680 10.0 243.571 176.943 187.692 0.000 -8.864 0.000 3/31680 20.0 50.557 32.217 31.940 0.000 -1.340 0.000 3/31680 30.0 21.942 14.383 13.680 0.000 -0.873 0.000 3/31680 40.0 13.012 8.847 8.187 0.000 -0.617 0.000 3/31680 50.0 9.033 6.333 5.748 0.000 -0.467 0.000 3/31680 60.0 6.860 4.933 4.408 0.000 -0.373 0.000 3/31680 70.0 5.512 4.046 3.571 0.000 -0.309 0.000 3/31680 80.0 4.601 3.434 3.001 0.000 -0.263 0.000 3/31680 90.0 3.947 2.985 2.589 0.000 -0.228 0.000 3/31680 100.0 3.457 2.642 2.278 0.000 -0.202 0.000 3/31680 110.0 3.075 2.372 2.034 0.000 -0.180 0.000 3/31680 120.0 2.771 2.152 1.839 0.000 -0.163 0.000 3/31680 130.0 2.523 1.971 1.680 0.000 -0.149 0.000 3/31680 140.0 2.316 1.819 1.546 0.000 -0.137 0.000 3/31680 150.0 2.142 1.689 1.433 0.000 -0.127 0.000 3/31680 160.0 1.993 1.577 1.336 0.000 -0.118 0.000 3/31680 170.0 1.865 1.480 1.252 0.000 -0.111 0.000 3/31680 180.0 1.752 1.394 1.179 0.000 -0.104 0.000 3/31680 190.0 1.653 1.318 1.114 0.000 -0.098 0.000 3/31680 200.0 1.565 1.250 1.056 0.000 -0.093 0.000 3/31680 210.0 1.487 1.190 1.004 0.000 -0.088 0.000 3/31680 220.0 1.416 1.135 0.957 0.000 -0.084 0.000 3/31680 230.0 1.352 1.085 0.915 0.000 -0.080 0.000 3/31680 240.0 1.294 1.040 0.876 0.000 -0.076 0.000 3/31680 250.0 1.241 0.998 0.841 0.000 -0.073 0.000 3/31680 260.0 1.193 0.960 0.809 0.000 -0.070 0.000 3/31680 270.0 1.148 0.925 0.779 0.000 -0.067 0.000 3/31680 280.0 1.107 0.892 0.751 0.000 -0.065 0.000 3/31680 290.0 1.068 0.862 0.725 0.000 -0.062 0.000 3/31680 300.0 1.033 0.833 0.701 0.000 -0.060 0.000 3/31680 310.0 1.000 0.807 0.679 0.000 -0.058 0.000 3/31680 320.0 0.968 0.782 0.658 0.000 -0.056 0.000 3/31680 330.0 0.939 0.759 0.639 0.000 -0.054 0.000 3/31680 340.0 0.912 0.738 0.620 0.000 -0.053 0.000 3/31680 350.0 0.886 0.717 0.603 0.000 -0.051 0.000 3/31680 360.0 0.862 0.698 0.587 0.000 -0.050 0.000 3/31680 370.0 0.839 0.679 0.571 0.000 -0.048 0.000 3/31680 380.0 0.817 0.662 0.556 0.000 -0.047 0.000 3/31680 390.0 0.797 0.645 0.543 0.000 -0.046 0.000 3/31680 400.0 0.777 0.630 0.529 0.000 -0.044 0.000 3/31680 410.0 0.759 0.615 0.517 0.000 -0.043 0.000 3/31680 420.0 0.741 0.601 0.505 0.000 -0.042 0.000 3/31680 430.0 0.724 0.587 0.493 0.000 -0.041 0.000 3/31680 440.0 0.708 0.574 0.482 0.000 -0.040 0.000 3/31680 450.0 0.693 0.562 0.472 0.000 -0.039 0.000 3/31680 460.0 0.678 0.550 0.462 0.000 -0.038 0.000 3/31680 470.0 0.664 0.539 0.452 0.000 -0.038 0.000 3/31680 480.0 0.650 0.528 0.443 0.000 -0.037 0.000 3/31680 490.0 0.637 0.517 0.434 0.000 -0.036 0.000 3/31680 500.0 0.625 0.507 0.426 0.000 -0.035 0.000 3/31680 510.0 0.613 0.498 0.418 0.000 -0.035 0.000 3/31680 520.0 0.601 0.488 0.410 0.000 -0.034 0.000 3/31680 530.0 0.590 0.480 0.402 0.000 -0.033 0.000 3/31680 540.0 0.580 0.471 0.395 0.000 -0.033 0.000 3/31680 550.0 0.569 0.463 0.388 0.000 -0.032 0.000 3/31680 560.0 0.559 0.455 0.381 0.000 -0.031 0.000 3/31680 570.0 0.550 0.447 0.375 0.000 -0.031 0.000 3/31680 580.0 0.540 0.439 0.369 0.000 -0.030 0.000 3/31680 590.0 0.531 0.432 0.363 0.000 -0.030 0.000 3/31680 600.0 0.523 0.425 0.357 0.000 -0.029 0.000 3/31680 610.0 0.514 0.418 0.351 0.000 -0.029 0.000 3/31680 620.0 0.506 0.412 0.345 0.000 -0.028 0.000 3/31680 630.0 0.498 0.405 0.340 0.000 -0.028 0.000 3/31680 640.0 0.491 0.399 0.335 0.000 -0.027 0.000 3/31680 650.0 0.483 0.393 0.330 0.000 -0.027 0.000 3/31680 660.0 0.476 0.387 0.325 0.000 -0.027 0.000 3/31680 670.0 0.469 0.382 0.320 0.000 -0.026 0.000 3/31680 680.0 0.462 0.376 0.316 0.000 -0.026 0.000 3/31680 690.0 0.456 0.371 0.311 0.000 -0.025 0.000 3/31680 700.0 0.449 0.366 0.307 0.000 -0.025 0.000 3/31680 710.0 0.443 0.361 0.302 0.000 -0.025 0.000 3/31680 720.0 0.437 0.356 0.298 0.000 -0.024 0.000 3/31680 730.0 0.431 0.351 0.294 0.000 -0.024 0.000 3/31680 740.0 0.426 0.346 0.290 0.000 -0.024 0.000 3/31680 750.0 0.420 0.342 0.287 0.000 -0.023 0.000 3/31680 760.0 0.415 0.338 0.283 0.000 -0.023 0.000 3/31680 770.0 0.409 0.333 0.279 0.000 -0.023 0.000 3/31680 780.0 0.404 0.329 0.276 0.000 -0.022 0.000 3/31680 790.0 0.399 0.325 0.272 0.000 -0.022 0.000 3/31680 800.0 0.394 0.321 0.269 0.000 -0.022 0.000 3/31680 810.0 0.389 0.317 0.266 0.000 -0.022 0.000 3/31680 820.0 0.385 0.313 0.263 0.000 -0.021 0.000 3/31680 830.0 0.380 0.310 0.259 0.000 -0.021 0.000 3/31680 840.0 0.376 0.306 0.256 0.000 -0.021 0.000 3/31680 850.0 0.371 0.302 0.253 0.000 -0.021 0.000 3/31680 860.0 0.367 0.299 0.251 0.000 -0.020 0.000 3/31680 870.0 0.363 0.296 0.248 0.000 -0.020 0.000 3/31680 880.0 0.359 0.292 0.245 0.000 -0.020 0.000 3/31680 890.0 0.355 0.289 0.242 0.000 -0.020 0.000 3/31680 900.0 0.351 0.286 0.240 0.000 -0.019 0.000 3/31680 910.0 0.347 0.283 0.237 0.000 -0.019 0.000 3/31680 920.0 0.343 0.280 0.234 0.000 -0.019 0.000 3/31680 930.0 0.340 0.277 0.232 0.000 -0.019 0.000 3/31680 940.0 0.336 0.274 0.229 0.000 -0.019 0.000 3/31680 950.0 0.333 0.271 0.227 0.000 -0.018 0.000 3/31680 960.0 0.329 0.268 0.225 0.000 -0.018 0.000 3/31680 970.0 0.326 0.266 0.222 0.000 -0.018 0.000 3/31680 980.0 0.323 0.263 0.220 0.000 -0.018 0.000 3/31680 990.0 0.319 0.260 0.218 0.000 -0.018 0.000 3/31680 1000.0 0.316 0.258 0.216 0.000 -0.017 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1064.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:39:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|