----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:37:48]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.807156500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.224004830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819377010000002 Atomic positions (fractional): *1 O 0.75764422816058 0.48776774702798 0.82585934670475 15.999 2 O 0.25764422816058 0.01223225297202 0.17414065329525 15.999 3 O 0.24235577183942 0.98776774702798 0.67414065329525 15.999 4 O 0.74235577183942 0.51223225297202 0.32585934670475 15.999 *5 O 0.13159188953708 0.74837806572854 0.95448847177329 15.999 6 O 0.63159188953708 0.75162193427146 0.04551152822671 15.999 7 O 0.86840811046292 0.24837806572854 0.54551152822671 15.999 8 O 0.36840811046292 0.25162193427146 0.45448847177329 15.999 *9 O 0.23991039631933 0.43609693318909 0.81289527035901 15.999 10 O 0.73991039631933 0.06390306681091 0.18710472964099 15.999 11 O 0.76008960368067 0.93609693318909 0.68710472964099 15.999 12 O 0.26008960368067 0.56390306681091 0.31289527035901 15.999 *13 O 0.49585068037847 0.58813360235680 0.57622571559482 15.999 14 O 0.99585068037847 0.91186639764320 0.42377428440518 15.999 15 O 0.50414931962153 0.08813360235680 0.92377428440518 15.999 16 O 0.00414931962153 0.41186639764320 0.07622571559482 15.999 *17 Al 0.01685789588969 0.52819405471601 0.91688380878656 26.982 18 Al 0.51685789588969 0.97180594528399 0.08311619121344 26.982 19 Al 0.98314210411031 0.02819405471601 0.58311619121344 26.982 20 Al 0.48314210411031 0.47180594528399 0.41688380878656 26.982 *21 Ba 0.01077392626835 0.08459706454232 0.91925460217118 137.327 22 Ba 0.48922607373165 0.91540293545768 0.41925460217118 137.327 23 Ba 0.51077392626835 0.41540293545768 0.08074539782882 137.327 24 Ba 0.98922607373165 0.58459706454232 0.58074539782882 137.327 *25 La 0.51542222282792 0.25225696711200 0.69846905157537 138.905 26 La 0.48457777717208 0.75225696711200 0.80153094842463 138.905 27 La 0.98457777717208 0.74774303288800 0.19846905157537 138.905 28 La 0.01542222282792 0.24774303288800 0.30153094842463 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.807156500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.224004830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819377010000002 Atomic positions (fractional): *1 O 0.75764422816058 0.48776774702798 0.82585934670475 15.999 > 1 2 O 0.25764422816058 0.01223225297202 0.17414065329525 15.999 > 2 3 O 0.24235577183942 0.98776774702798 0.67414065329525 15.999 > 3 4 O 0.74235577183942 0.51223225297202 0.32585934670475 15.999 > 4 *5 O 0.13159188953708 0.74837806572854 0.95448847177329 15.999 > 5 6 O 0.63159188953708 0.75162193427146 0.04551152822671 15.999 > 6 7 O 0.86840811046292 0.24837806572854 0.54551152822671 15.999 > 7 8 O 0.36840811046292 0.25162193427146 0.45448847177329 15.999 > 8 *9 O 0.23991039631933 0.43609693318909 0.81289527035901 15.999 > 9 10 O 0.73991039631933 0.06390306681091 0.18710472964099 15.999 > 10 11 O 0.76008960368067 0.93609693318909 0.68710472964099 15.999 > 11 12 O 0.26008960368067 0.56390306681091 0.31289527035901 15.999 > 12 *13 O 0.49585068037847 0.58813360235680 0.57622571559482 15.999 > 13 14 O 0.99585068037847 0.91186639764320 0.42377428440518 15.999 > 14 15 O 0.50414931962153 0.08813360235680 0.92377428440518 15.999 > 15 16 O 0.00414931962153 0.41186639764320 0.07622571559482 15.999 > 16 *17 Al 0.01685789588969 0.52819405471601 0.91688380878656 26.982 > 17 18 Al 0.51685789588969 0.97180594528399 0.08311619121344 26.982 > 18 19 Al 0.98314210411031 0.02819405471601 0.58311619121344 26.982 > 19 20 Al 0.48314210411031 0.47180594528399 0.41688380878656 26.982 > 20 *21 Ba 0.01077392626835 0.08459706454232 0.91925460217118 137.327 > 21 22 Ba 0.48922607373165 0.91540293545768 0.41925460217118 137.327 > 22 23 Ba 0.51077392626835 0.41540293545768 0.08074539782882 137.327 > 23 24 Ba 0.98922607373165 0.58459706454232 0.58074539782882 137.327 > 24 *25 La 0.51542222282792 0.25225696711200 0.69846905157537 138.905 > 25 26 La 0.48457777717208 0.75225696711200 0.80153094842463 138.905 > 26 27 La 0.98457777717208 0.74774303288800 0.19846905157537 138.905 > 27 28 La 0.01542222282792 0.24774303288800 0.30153094842463 138.905 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.614312999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.448009660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819377010000002 Atomic positions (fractional): *1 O 0.37882211408029 0.24388387351399 0.82585934670475 15.999 > 1 2 O 0.87882211408029 0.24388387351399 0.82585934670475 15.999 > 1 3 O 0.37882211408029 0.74388387351399 0.82585934670475 15.999 > 1 4 O 0.87882211408029 0.74388387351399 0.82585934670475 15.999 > 1 5 O 0.12882211408029 0.00611612648601 0.17414065329525 15.999 > 2 6 O 0.62882211408029 0.00611612648601 0.17414065329525 15.999 > 2 7 O 0.12882211408029 0.50611612648601 0.17414065329525 15.999 > 2 8 O 0.62882211408029 0.50611612648601 0.17414065329525 15.999 > 2 9 O 0.12117788591971 0.49388387351399 0.67414065329525 15.999 > 3 10 O 0.62117788591971 0.49388387351399 0.67414065329525 15.999 > 3 11 O 0.12117788591971 0.99388387351399 0.67414065329525 15.999 > 3 12 O 0.62117788591971 0.99388387351399 0.67414065329525 15.999 > 3 13 O 0.37117788591971 0.25611612648601 0.32585934670475 15.999 > 4 14 O 0.87117788591971 0.25611612648601 0.32585934670475 15.999 > 4 15 O 0.37117788591971 0.75611612648601 0.32585934670475 15.999 > 4 16 O 0.87117788591971 0.75611612648601 0.32585934670475 15.999 > 4 *17 O 0.06579594476854 0.37418903286427 0.95448847177329 15.999 > 5 18 O 0.56579594476854 0.37418903286427 0.95448847177329 15.999 > 5 19 O 0.06579594476854 0.87418903286427 0.95448847177329 15.999 > 5 20 O 0.56579594476854 0.87418903286427 0.95448847177329 15.999 > 5 21 O 0.31579594476854 0.37581096713573 0.04551152822671 15.999 > 6 22 O 0.81579594476854 0.37581096713573 0.04551152822671 15.999 > 6 23 O 0.31579594476854 0.87581096713573 0.04551152822671 15.999 > 6 24 O 0.81579594476854 0.87581096713573 0.04551152822671 15.999 > 6 25 O 0.43420405523146 0.12418903286427 0.54551152822671 15.999 > 7 26 O 0.93420405523146 0.12418903286427 0.54551152822671 15.999 > 7 27 O 0.43420405523146 0.62418903286427 0.54551152822671 15.999 > 7 28 O 0.93420405523146 0.62418903286427 0.54551152822671 15.999 > 7 29 O 0.18420405523146 0.12581096713573 0.45448847177329 15.999 > 8 30 O 0.68420405523146 0.12581096713573 0.45448847177329 15.999 > 8 31 O 0.18420405523146 0.62581096713573 0.45448847177329 15.999 > 8 32 O 0.68420405523146 0.62581096713573 0.45448847177329 15.999 > 8 *33 O 0.11995519815966 0.21804846659454 0.81289527035901 15.999 > 9 34 O 0.61995519815966 0.21804846659454 0.81289527035901 15.999 > 9 35 O 0.11995519815966 0.71804846659454 0.81289527035901 15.999 > 9 36 O 0.61995519815966 0.71804846659454 0.81289527035901 15.999 > 9 37 O 0.36995519815966 0.03195153340546 0.18710472964099 15.999 > 10 38 O 0.86995519815966 0.03195153340546 0.18710472964099 15.999 > 10 39 O 0.36995519815966 0.53195153340546 0.18710472964099 15.999 > 10 40 O 0.86995519815966 0.53195153340546 0.18710472964099 15.999 > 10 41 O 0.38004480184034 0.46804846659454 0.68710472964099 15.999 > 11 42 O 0.88004480184034 0.46804846659454 0.68710472964099 15.999 > 11 43 O 0.38004480184034 0.96804846659454 0.68710472964099 15.999 > 11 44 O 0.88004480184034 0.96804846659454 0.68710472964099 15.999 > 11 45 O 0.13004480184034 0.28195153340546 0.31289527035901 15.999 > 12 46 O 0.63004480184034 0.28195153340546 0.31289527035901 15.999 > 12 47 O 0.13004480184034 0.78195153340546 0.31289527035901 15.999 > 12 48 O 0.63004480184034 0.78195153340546 0.31289527035901 15.999 > 12 *49 O 0.24792534018924 0.29406680117840 0.57622571559482 15.999 > 13 50 O 0.74792534018924 0.29406680117840 0.57622571559482 15.999 > 13 51 O 0.24792534018924 0.79406680117840 0.57622571559482 15.999 > 13 52 O 0.74792534018924 0.79406680117840 0.57622571559482 15.999 > 13 53 O 0.49792534018924 0.45593319882160 0.42377428440518 15.999 > 14 54 O 0.99792534018924 0.45593319882160 0.42377428440518 15.999 > 14 55 O 0.49792534018924 0.95593319882160 0.42377428440518 15.999 > 14 56 O 0.99792534018924 0.95593319882160 0.42377428440518 15.999 > 14 57 O 0.25207465981076 0.04406680117840 0.92377428440518 15.999 > 15 58 O 0.75207465981076 0.04406680117840 0.92377428440518 15.999 > 15 59 O 0.25207465981076 0.54406680117840 0.92377428440518 15.999 > 15 60 O 0.75207465981076 0.54406680117840 0.92377428440518 15.999 > 15 61 O 0.00207465981076 0.20593319882160 0.07622571559482 15.999 > 16 62 O 0.50207465981076 0.20593319882160 0.07622571559482 15.999 > 16 63 O 0.00207465981076 0.70593319882160 0.07622571559482 15.999 > 16 64 O 0.50207465981076 0.70593319882160 0.07622571559482 15.999 > 16 *65 Al 0.00842894794485 0.26409702735800 0.91688380878656 26.982 > 17 66 Al 0.50842894794485 0.26409702735800 0.91688380878656 26.982 > 17 67 Al 0.00842894794485 0.76409702735800 0.91688380878656 26.982 > 17 68 Al 0.50842894794485 0.76409702735800 0.91688380878656 26.982 > 17 69 Al 0.25842894794485 0.48590297264200 0.08311619121344 26.982 > 18 70 Al 0.75842894794485 0.48590297264200 0.08311619121344 26.982 > 18 71 Al 0.25842894794485 0.98590297264200 0.08311619121344 26.982 > 18 72 Al 0.75842894794485 0.98590297264200 0.08311619121344 26.982 > 18 73 Al 0.49157105205515 0.01409702735800 0.58311619121344 26.982 > 19 74 Al 0.99157105205515 0.01409702735800 0.58311619121344 26.982 > 19 75 Al 0.49157105205515 0.51409702735800 0.58311619121344 26.982 > 19 76 Al 0.99157105205515 0.51409702735800 0.58311619121344 26.982 > 19 77 Al 0.24157105205515 0.23590297264200 0.41688380878656 26.982 > 20 78 Al 0.74157105205515 0.23590297264200 0.41688380878656 26.982 > 20 79 Al 0.24157105205515 0.73590297264200 0.41688380878656 26.982 > 20 80 Al 0.74157105205515 0.73590297264200 0.41688380878656 26.982 > 20 *81 Ba 0.00538696313418 0.04229853227116 0.91925460217118 137.327 > 21 82 Ba 0.50538696313418 0.04229853227116 0.91925460217118 137.327 > 21 83 Ba 0.00538696313418 0.54229853227116 0.91925460217118 137.327 > 21 84 Ba 0.50538696313418 0.54229853227116 0.91925460217118 137.327 > 21 85 Ba 0.24461303686582 0.45770146772884 0.41925460217118 137.327 > 22 86 Ba 0.74461303686582 0.45770146772884 0.41925460217118 137.327 > 22 87 Ba 0.24461303686582 0.95770146772884 0.41925460217118 137.327 > 22 88 Ba 0.74461303686582 0.95770146772884 0.41925460217118 137.327 > 22 89 Ba 0.25538696313418 0.20770146772884 0.08074539782882 137.327 > 23 90 Ba 0.75538696313418 0.20770146772884 0.08074539782882 137.327 > 23 91 Ba 0.25538696313418 0.70770146772884 0.08074539782882 137.327 > 23 92 Ba 0.75538696313418 0.70770146772884 0.08074539782882 137.327 > 23 93 Ba 0.49461303686582 0.29229853227116 0.58074539782882 137.327 > 24 94 Ba 0.99461303686582 0.29229853227116 0.58074539782882 137.327 > 24 95 Ba 0.49461303686582 0.79229853227116 0.58074539782882 137.327 > 24 96 Ba 0.99461303686582 0.79229853227116 0.58074539782882 137.327 > 24 *97 La 0.25771111141396 0.12612848355600 0.69846905157537 138.905 > 25 98 La 0.75771111141396 0.12612848355600 0.69846905157537 138.905 > 25 99 La 0.25771111141396 0.62612848355600 0.69846905157537 138.905 > 25 100 La 0.75771111141396 0.62612848355600 0.69846905157537 138.905 > 25 101 La 0.24228888858604 0.37612848355600 0.80153094842463 138.905 > 26 102 La 0.74228888858604 0.37612848355600 0.80153094842463 138.905 > 26 103 La 0.24228888858604 0.87612848355600 0.80153094842463 138.905 > 26 104 La 0.74228888858604 0.87612848355600 0.80153094842463 138.905 > 26 105 La 0.49228888858604 0.37387151644400 0.19846905157537 138.905 > 27 106 La 0.99228888858604 0.37387151644400 0.19846905157537 138.905 > 27 107 La 0.49228888858604 0.87387151644400 0.19846905157537 138.905 > 27 108 La 0.99228888858604 0.87387151644400 0.19846905157537 138.905 > 27 109 La 0.00771111141396 0.12387151644400 0.30153094842463 138.905 > 28 110 La 0.50771111141396 0.12387151644400 0.30153094842463 138.905 > 28 111 La 0.00771111141396 0.62387151644400 0.30153094842463 138.905 > 28 112 La 0.50771111141396 0.62387151644400 0.30153094842463 138.905 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1225088 0.0000000 0.0000000 0.0000000 4.2966985 0.0000000 0.0000000 0.0000000 4.2200945 -------------------------- Born effective charges -------------------------- 1 O -2.5604074 -0.0441519 -0.3211016 0.0827044 -2.2868762 -0.1122446 -0.2569915 -0.1255630 -2.2140007 2 O -2.5604074 0.0441519 0.3211016 -0.0827044 -2.2868762 -0.1122446 0.2569915 -0.1255630 -2.2140007 3 O -2.5604074 0.0441519 -0.3211016 -0.0827044 -2.2868762 0.1122446 -0.2569915 0.1255630 -2.2140007 4 O -2.5604074 -0.0441519 0.3211016 0.0827044 -2.2868762 0.1122446 0.2569915 0.1255630 -2.2140007 5 O -2.1848286 -0.0337159 0.5435145 -0.0628094 -2.4925924 -0.0411438 0.5374839 -0.0483676 -2.3889953 6 O -2.1848286 0.0337159 -0.5435145 0.0628094 -2.4925924 -0.0411438 -0.5374839 -0.0483676 -2.3889953 7 O -2.1848286 0.0337159 0.5435145 0.0628094 -2.4925924 0.0411438 0.5374839 0.0483676 -2.3889953 8 O -2.1848286 -0.0337159 -0.5435145 -0.0628094 -2.4925924 0.0411438 -0.5374839 0.0483676 -2.3889953 9 O -2.4854757 0.3286848 0.4011245 0.2913758 -2.4243085 -0.3014032 0.4663818 -0.2982482 -2.2198640 10 O -2.4854757 -0.3286848 -0.4011245 -0.2913758 -2.4243085 -0.3014032 -0.4663818 -0.2982482 -2.2198640 11 O -2.4854757 -0.3286848 0.4011245 -0.2913758 -2.4243085 0.3014032 0.4663818 0.2982482 -2.2198640 12 O -2.4854757 0.3286848 -0.4011245 0.2913758 -2.4243085 0.3014032 -0.4663818 0.2982482 -2.2198640 13 O -2.0049500 0.0012657 -0.0725346 0.0110502 -2.3858676 -0.2285495 -0.0146229 -0.2322745 -2.6778781 14 O -2.0049500 -0.0012657 0.0725346 -0.0110502 -2.3858676 -0.2285495 0.0146229 -0.2322745 -2.6778781 15 O -2.0049500 -0.0012657 -0.0725346 -0.0110502 -2.3858676 0.2285495 -0.0146229 0.2322745 -2.6778781 16 O -2.0049500 0.0012657 0.0725346 0.0110502 -2.3858676 0.2285495 0.0146229 0.2322745 -2.6778781 17 Al 2.7929486 0.0698939 -0.0088266 0.0597660 2.3936549 0.1310047 -0.0364973 0.1208411 2.6382407 18 Al 2.7929486 -0.0698939 0.0088266 -0.0597660 2.3936549 0.1310047 0.0364973 0.1208411 2.6382407 19 Al 2.7929486 -0.0698939 -0.0088266 -0.0597660 2.3936549 -0.1310047 -0.0364973 -0.1208411 2.6382407 20 Al 2.7929486 0.0698939 0.0088266 0.0597660 2.3936549 -0.1310047 0.0364973 -0.1208411 2.6382407 21 Ba 2.7198126 -0.1027194 -0.0156352 -0.0867776 2.8373469 0.0792605 -0.0249976 0.0628229 2.6254696 22 Ba 2.7198126 -0.1027194 0.0156352 -0.0867776 2.8373469 -0.0792605 0.0249976 -0.0628229 2.6254696 23 Ba 2.7198126 0.1027194 0.0156352 0.0867776 2.8373469 0.0792605 0.0249976 0.0628229 2.6254696 24 Ba 2.7198126 0.1027194 -0.0156352 0.0867776 2.8373469 -0.0792605 -0.0249976 -0.0628229 2.6254696 25 La 3.7229005 -0.0200491 -0.1288412 -0.0268594 4.3586429 0.1049652 -0.3204058 0.0799698 4.2370277 26 La 3.7229005 0.0200491 -0.1288412 0.0268594 4.3586429 -0.1049652 -0.3204058 -0.0799698 4.2370277 27 La 3.7229005 -0.0200491 0.1288412 -0.0268594 4.3586429 -0.1049652 0.3204058 -0.0799698 4.2370277 28 La 3.7229005 0.0200491 0.1288412 0.0268594 4.3586429 0.1049652 0.3204058 0.0799698 4.2370277 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3549), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.012 Solver_block: 200 / 880 - Time: 0.888 Solver_block: 300 / 880 - Time: 0.973 Solver_block: 400 / 880 - Time: 0.995 Solver_block: 500 / 880 - Time: 0.856 Solver_block: 600 / 880 - Time: 0.914 Solver_block: 700 / 880 - Time: 0.894 Solver_block: 800 / 880 - Time: 0.969 Solver_block: 880 / 880 - Time: 2.258 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.323 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3549), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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 02:39:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:39:05]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.807156500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.224004830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819377010000002 Atomic positions (fractional): 1 O 0.75764422816058 0.48776774702798 0.82585934670475 15.999 2 O 0.25764422816058 0.01223225297202 0.17414065329525 15.999 3 O 0.24235577183942 0.98776774702798 0.67414065329525 15.999 4 O 0.74235577183942 0.51223225297202 0.32585934670475 15.999 5 O 0.13159188953708 0.74837806572854 0.95448847177329 15.999 6 O 0.63159188953708 0.75162193427146 0.04551152822671 15.999 7 O 0.86840811046292 0.24837806572854 0.54551152822671 15.999 8 O 0.36840811046292 0.25162193427146 0.45448847177329 15.999 9 O 0.23991039631933 0.43609693318909 0.81289527035901 15.999 10 O 0.73991039631933 0.06390306681091 0.18710472964099 15.999 11 O 0.76008960368067 0.93609693318909 0.68710472964099 15.999 12 O 0.26008960368067 0.56390306681091 0.31289527035901 15.999 13 O 0.49585068037847 0.58813360235680 0.57622571559482 15.999 14 O 0.99585068037847 0.91186639764320 0.42377428440518 15.999 15 O 0.50414931962153 0.08813360235680 0.92377428440518 15.999 16 O 0.00414931962153 0.41186639764320 0.07622571559482 15.999 17 Al 0.01685789588969 0.52819405471601 0.91688380878656 26.982 18 Al 0.51685789588969 0.97180594528399 0.08311619121344 26.982 19 Al 0.98314210411031 0.02819405471601 0.58311619121344 26.982 20 Al 0.48314210411031 0.47180594528399 0.41688380878656 26.982 21 Ba 0.01077392626835 0.08459706454232 0.91925460217118 137.327 22 Ba 0.48922607373165 0.91540293545768 0.41925460217118 137.327 23 Ba 0.51077392626835 0.41540293545768 0.08074539782882 137.327 24 Ba 0.98922607373165 0.58459706454232 0.58074539782882 137.327 25 La 0.51542222282792 0.25225696711200 0.69846905157537 138.905 26 La 0.48457777717208 0.75225696711200 0.80153094842463 138.905 27 La 0.98457777717208 0.74774303288800 0.19846905157537 138.905 28 La 0.01542222282792 0.24774303288800 0.30153094842463 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.614312999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.448009660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819377010000002 Atomic positions (fractional): 1 O 0.37882211408029 0.24388387351399 0.82585934670475 15.999 > 1 2 O 0.87882211408029 0.24388387351399 0.82585934670475 15.999 > 1 3 O 0.37882211408029 0.74388387351399 0.82585934670475 15.999 > 1 4 O 0.87882211408029 0.74388387351399 0.82585934670475 15.999 > 1 5 O 0.12882211408029 0.00611612648601 0.17414065329525 15.999 > 5 6 O 0.62882211408029 0.00611612648601 0.17414065329525 15.999 > 5 7 O 0.12882211408029 0.50611612648601 0.17414065329525 15.999 > 5 8 O 0.62882211408029 0.50611612648601 0.17414065329525 15.999 > 5 9 O 0.12117788591971 0.49388387351399 0.67414065329525 15.999 > 9 10 O 0.62117788591971 0.49388387351399 0.67414065329525 15.999 > 9 11 O 0.12117788591971 0.99388387351399 0.67414065329525 15.999 > 9 12 O 0.62117788591971 0.99388387351399 0.67414065329525 15.999 > 9 13 O 0.37117788591971 0.25611612648601 0.32585934670475 15.999 > 13 14 O 0.87117788591971 0.25611612648601 0.32585934670475 15.999 > 13 15 O 0.37117788591971 0.75611612648601 0.32585934670475 15.999 > 13 16 O 0.87117788591971 0.75611612648601 0.32585934670475 15.999 > 13 17 O 0.06579594476854 0.37418903286427 0.95448847177329 15.999 > 17 18 O 0.56579594476854 0.37418903286427 0.95448847177329 15.999 > 17 19 O 0.06579594476854 0.87418903286427 0.95448847177329 15.999 > 17 20 O 0.56579594476854 0.87418903286427 0.95448847177329 15.999 > 17 21 O 0.31579594476854 0.37581096713573 0.04551152822671 15.999 > 21 22 O 0.81579594476854 0.37581096713573 0.04551152822671 15.999 > 21 23 O 0.31579594476854 0.87581096713573 0.04551152822671 15.999 > 21 24 O 0.81579594476854 0.87581096713573 0.04551152822671 15.999 > 21 25 O 0.43420405523146 0.12418903286427 0.54551152822671 15.999 > 25 26 O 0.93420405523146 0.12418903286427 0.54551152822671 15.999 > 25 27 O 0.43420405523146 0.62418903286427 0.54551152822671 15.999 > 25 28 O 0.93420405523146 0.62418903286427 0.54551152822671 15.999 > 25 29 O 0.18420405523146 0.12581096713573 0.45448847177329 15.999 > 29 30 O 0.68420405523146 0.12581096713573 0.45448847177329 15.999 > 29 31 O 0.18420405523146 0.62581096713573 0.45448847177329 15.999 > 29 32 O 0.68420405523146 0.62581096713573 0.45448847177329 15.999 > 29 33 O 0.11995519815966 0.21804846659454 0.81289527035901 15.999 > 33 34 O 0.61995519815966 0.21804846659454 0.81289527035901 15.999 > 33 35 O 0.11995519815966 0.71804846659454 0.81289527035901 15.999 > 33 36 O 0.61995519815966 0.71804846659454 0.81289527035901 15.999 > 33 37 O 0.36995519815966 0.03195153340546 0.18710472964099 15.999 > 37 38 O 0.86995519815966 0.03195153340546 0.18710472964099 15.999 > 37 39 O 0.36995519815966 0.53195153340546 0.18710472964099 15.999 > 37 40 O 0.86995519815966 0.53195153340546 0.18710472964099 15.999 > 37 41 O 0.38004480184034 0.46804846659454 0.68710472964099 15.999 > 41 42 O 0.88004480184034 0.46804846659454 0.68710472964099 15.999 > 41 43 O 0.38004480184034 0.96804846659454 0.68710472964099 15.999 > 41 44 O 0.88004480184034 0.96804846659454 0.68710472964099 15.999 > 41 45 O 0.13004480184034 0.28195153340546 0.31289527035901 15.999 > 45 46 O 0.63004480184034 0.28195153340546 0.31289527035901 15.999 > 45 47 O 0.13004480184034 0.78195153340546 0.31289527035901 15.999 > 45 48 O 0.63004480184034 0.78195153340546 0.31289527035901 15.999 > 45 49 O 0.24792534018924 0.29406680117840 0.57622571559482 15.999 > 49 50 O 0.74792534018924 0.29406680117840 0.57622571559482 15.999 > 49 51 O 0.24792534018924 0.79406680117840 0.57622571559482 15.999 > 49 52 O 0.74792534018924 0.79406680117840 0.57622571559482 15.999 > 49 53 O 0.49792534018924 0.45593319882160 0.42377428440518 15.999 > 53 54 O 0.99792534018924 0.45593319882160 0.42377428440518 15.999 > 53 55 O 0.49792534018924 0.95593319882160 0.42377428440518 15.999 > 53 56 O 0.99792534018924 0.95593319882160 0.42377428440518 15.999 > 53 57 O 0.25207465981076 0.04406680117840 0.92377428440518 15.999 > 57 58 O 0.75207465981076 0.04406680117840 0.92377428440518 15.999 > 57 59 O 0.25207465981076 0.54406680117840 0.92377428440518 15.999 > 57 60 O 0.75207465981076 0.54406680117840 0.92377428440518 15.999 > 57 61 O 0.00207465981076 0.20593319882160 0.07622571559482 15.999 > 61 62 O 0.50207465981076 0.20593319882160 0.07622571559482 15.999 > 61 63 O 0.00207465981076 0.70593319882160 0.07622571559482 15.999 > 61 64 O 0.50207465981076 0.70593319882160 0.07622571559482 15.999 > 61 65 Al 0.00842894794485 0.26409702735800 0.91688380878656 26.982 > 65 66 Al 0.50842894794485 0.26409702735800 0.91688380878656 26.982 > 65 67 Al 0.00842894794485 0.76409702735800 0.91688380878656 26.982 > 65 68 Al 0.50842894794485 0.76409702735800 0.91688380878656 26.982 > 65 69 Al 0.25842894794485 0.48590297264200 0.08311619121344 26.982 > 69 70 Al 0.75842894794485 0.48590297264200 0.08311619121344 26.982 > 69 71 Al 0.25842894794485 0.98590297264200 0.08311619121344 26.982 > 69 72 Al 0.75842894794485 0.98590297264200 0.08311619121344 26.982 > 69 73 Al 0.49157105205515 0.01409702735800 0.58311619121344 26.982 > 73 74 Al 0.99157105205515 0.01409702735800 0.58311619121344 26.982 > 73 75 Al 0.49157105205515 0.51409702735800 0.58311619121344 26.982 > 73 76 Al 0.99157105205515 0.51409702735800 0.58311619121344 26.982 > 73 77 Al 0.24157105205515 0.23590297264200 0.41688380878656 26.982 > 77 78 Al 0.74157105205515 0.23590297264200 0.41688380878656 26.982 > 77 79 Al 0.24157105205515 0.73590297264200 0.41688380878656 26.982 > 77 80 Al 0.74157105205515 0.73590297264200 0.41688380878656 26.982 > 77 81 Ba 0.00538696313418 0.04229853227116 0.91925460217118 137.327 > 81 82 Ba 0.50538696313418 0.04229853227116 0.91925460217118 137.327 > 81 83 Ba 0.00538696313418 0.54229853227116 0.91925460217118 137.327 > 81 84 Ba 0.50538696313418 0.54229853227116 0.91925460217118 137.327 > 81 85 Ba 0.24461303686582 0.45770146772884 0.41925460217118 137.327 > 85 86 Ba 0.74461303686582 0.45770146772884 0.41925460217118 137.327 > 85 87 Ba 0.24461303686582 0.95770146772884 0.41925460217118 137.327 > 85 88 Ba 0.74461303686582 0.95770146772884 0.41925460217118 137.327 > 85 89 Ba 0.25538696313418 0.20770146772884 0.08074539782882 137.327 > 89 90 Ba 0.75538696313418 0.20770146772884 0.08074539782882 137.327 > 89 91 Ba 0.25538696313418 0.70770146772884 0.08074539782882 137.327 > 89 92 Ba 0.75538696313418 0.70770146772884 0.08074539782882 137.327 > 89 93 Ba 0.49461303686582 0.29229853227116 0.58074539782882 137.327 > 93 94 Ba 0.99461303686582 0.29229853227116 0.58074539782882 137.327 > 93 95 Ba 0.49461303686582 0.79229853227116 0.58074539782882 137.327 > 93 96 Ba 0.99461303686582 0.79229853227116 0.58074539782882 137.327 > 93 97 La 0.25771111141396 0.12612848355600 0.69846905157537 138.905 > 97 98 La 0.75771111141396 0.12612848355600 0.69846905157537 138.905 > 97 99 La 0.25771111141396 0.62612848355600 0.69846905157537 138.905 > 97 100 La 0.75771111141396 0.62612848355600 0.69846905157537 138.905 > 97 101 La 0.24228888858604 0.37612848355600 0.80153094842463 138.905 > 101 102 La 0.74228888858604 0.37612848355600 0.80153094842463 138.905 > 101 103 La 0.24228888858604 0.87612848355600 0.80153094842463 138.905 > 101 104 La 0.74228888858604 0.87612848355600 0.80153094842463 138.905 > 101 105 La 0.49228888858604 0.37387151644400 0.19846905157537 138.905 > 105 106 La 0.99228888858604 0.37387151644400 0.19846905157537 138.905 > 105 107 La 0.49228888858604 0.87387151644400 0.19846905157537 138.905 > 105 108 La 0.99228888858604 0.87387151644400 0.19846905157537 138.905 > 105 109 La 0.00771111141396 0.12387151644400 0.30153094842463 138.905 > 109 110 La 0.50771111141396 0.12387151644400 0.30153094842463 138.905 > 109 111 La 0.00771111141396 0.62387151644400 0.30153094842463 138.905 > 109 112 La 0.50771111141396 0.62387151644400 0.30153094842463 138.905 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1225088 0.0000000 0.0000000 0.0000000 4.2966985 0.0000000 0.0000000 0.0000000 4.2200945 -------------------------- Born effective charges -------------------------- 1 O -2.5604074 -0.0441519 -0.3211016 0.0827044 -2.2868762 -0.1122446 -0.2569915 -0.1255630 -2.2140007 2 O -2.5604074 0.0441519 0.3211016 -0.0827044 -2.2868762 -0.1122446 0.2569915 -0.1255630 -2.2140007 3 O -2.5604074 0.0441519 -0.3211016 -0.0827044 -2.2868762 0.1122446 -0.2569915 0.1255630 -2.2140007 4 O -2.5604074 -0.0441519 0.3211016 0.0827044 -2.2868762 0.1122446 0.2569915 0.1255630 -2.2140007 5 O -2.1848286 -0.0337159 0.5435145 -0.0628094 -2.4925924 -0.0411438 0.5374839 -0.0483676 -2.3889953 6 O -2.1848286 0.0337159 -0.5435145 0.0628094 -2.4925924 -0.0411438 -0.5374839 -0.0483676 -2.3889953 7 O -2.1848286 0.0337159 0.5435145 0.0628094 -2.4925924 0.0411438 0.5374839 0.0483676 -2.3889953 8 O -2.1848286 -0.0337159 -0.5435145 -0.0628094 -2.4925924 0.0411438 -0.5374839 0.0483676 -2.3889953 9 O -2.4854757 0.3286848 0.4011245 0.2913758 -2.4243085 -0.3014032 0.4663818 -0.2982482 -2.2198640 10 O -2.4854757 -0.3286848 -0.4011245 -0.2913758 -2.4243085 -0.3014032 -0.4663818 -0.2982482 -2.2198640 11 O -2.4854757 -0.3286848 0.4011245 -0.2913758 -2.4243085 0.3014032 0.4663818 0.2982482 -2.2198640 12 O -2.4854757 0.3286848 -0.4011245 0.2913758 -2.4243085 0.3014032 -0.4663818 0.2982482 -2.2198640 13 O -2.0049500 0.0012657 -0.0725346 0.0110502 -2.3858676 -0.2285495 -0.0146229 -0.2322745 -2.6778781 14 O -2.0049500 -0.0012657 0.0725346 -0.0110502 -2.3858676 -0.2285495 0.0146229 -0.2322745 -2.6778781 15 O -2.0049500 -0.0012657 -0.0725346 -0.0110502 -2.3858676 0.2285495 -0.0146229 0.2322745 -2.6778781 16 O -2.0049500 0.0012657 0.0725346 0.0110502 -2.3858676 0.2285495 0.0146229 0.2322745 -2.6778781 17 Al 2.7929486 0.0698939 -0.0088266 0.0597660 2.3936549 0.1310047 -0.0364973 0.1208411 2.6382407 18 Al 2.7929486 -0.0698939 0.0088266 -0.0597660 2.3936549 0.1310047 0.0364973 0.1208411 2.6382407 19 Al 2.7929486 -0.0698939 -0.0088266 -0.0597660 2.3936549 -0.1310047 -0.0364973 -0.1208411 2.6382407 20 Al 2.7929486 0.0698939 0.0088266 0.0597660 2.3936549 -0.1310047 0.0364973 -0.1208411 2.6382407 21 Ba 2.7198126 -0.1027194 -0.0156352 -0.0867776 2.8373469 0.0792605 -0.0249976 0.0628229 2.6254696 22 Ba 2.7198126 -0.1027194 0.0156352 -0.0867776 2.8373469 -0.0792605 0.0249976 -0.0628229 2.6254696 23 Ba 2.7198126 0.1027194 0.0156352 0.0867776 2.8373469 0.0792605 0.0249976 0.0628229 2.6254696 24 Ba 2.7198126 0.1027194 -0.0156352 0.0867776 2.8373469 -0.0792605 -0.0249976 -0.0628229 2.6254696 25 La 3.7229005 -0.0200491 -0.1288412 -0.0268594 4.3586429 0.1049652 -0.3204058 0.0799698 4.2370277 26 La 3.7229005 0.0200491 -0.1288412 0.0268594 4.3586429 -0.1049652 -0.3204058 -0.0799698 4.2370277 27 La 3.7229005 -0.0200491 0.1288412 -0.0268594 4.3586429 -0.1049652 0.3204058 -0.0799698 4.2370277 28 La 3.7229005 0.0200491 0.1288412 0.0268594 4.3586429 0.1049652 0.3204058 0.0799698 4.2370277 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:39:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:39:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.807156500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.224004830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819377010000002 Atomic positions (fractional): 1 O 0.75764422816058 0.48776774702798 0.82585934670475 15.999 2 O 0.25764422816058 0.01223225297202 0.17414065329525 15.999 3 O 0.24235577183942 0.98776774702798 0.67414065329525 15.999 4 O 0.74235577183942 0.51223225297202 0.32585934670475 15.999 5 O 0.13159188953708 0.74837806572854 0.95448847177329 15.999 6 O 0.63159188953708 0.75162193427146 0.04551152822671 15.999 7 O 0.86840811046292 0.24837806572854 0.54551152822671 15.999 8 O 0.36840811046292 0.25162193427146 0.45448847177329 15.999 9 O 0.23991039631933 0.43609693318909 0.81289527035901 15.999 10 O 0.73991039631933 0.06390306681091 0.18710472964099 15.999 11 O 0.76008960368067 0.93609693318909 0.68710472964099 15.999 12 O 0.26008960368067 0.56390306681091 0.31289527035901 15.999 13 O 0.49585068037847 0.58813360235680 0.57622571559482 15.999 14 O 0.99585068037847 0.91186639764320 0.42377428440518 15.999 15 O 0.50414931962153 0.08813360235680 0.92377428440518 15.999 16 O 0.00414931962153 0.41186639764320 0.07622571559482 15.999 17 Al 0.01685789588969 0.52819405471601 0.91688380878656 26.982 18 Al 0.51685789588969 0.97180594528399 0.08311619121344 26.982 19 Al 0.98314210411031 0.02819405471601 0.58311619121344 26.982 20 Al 0.48314210411031 0.47180594528399 0.41688380878656 26.982 21 Ba 0.01077392626835 0.08459706454232 0.91925460217118 137.327 22 Ba 0.48922607373165 0.91540293545768 0.41925460217118 137.327 23 Ba 0.51077392626835 0.41540293545768 0.08074539782882 137.327 24 Ba 0.98922607373165 0.58459706454232 0.58074539782882 137.327 25 La 0.51542222282792 0.25225696711200 0.69846905157537 138.905 26 La 0.48457777717208 0.75225696711200 0.80153094842463 138.905 27 La 0.98457777717208 0.74774303288800 0.19846905157537 138.905 28 La 0.01542222282792 0.24774303288800 0.30153094842463 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.614312999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.448009660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819377010000002 Atomic positions (fractional): 1 O 0.37882211408029 0.24388387351399 0.82585934670475 15.999 > 1 2 O 0.87882211408029 0.24388387351399 0.82585934670475 15.999 > 1 3 O 0.37882211408029 0.74388387351399 0.82585934670475 15.999 > 1 4 O 0.87882211408029 0.74388387351399 0.82585934670475 15.999 > 1 5 O 0.12882211408029 0.00611612648601 0.17414065329525 15.999 > 5 6 O 0.62882211408029 0.00611612648601 0.17414065329525 15.999 > 5 7 O 0.12882211408029 0.50611612648601 0.17414065329525 15.999 > 5 8 O 0.62882211408029 0.50611612648601 0.17414065329525 15.999 > 5 9 O 0.12117788591971 0.49388387351399 0.67414065329525 15.999 > 9 10 O 0.62117788591971 0.49388387351399 0.67414065329525 15.999 > 9 11 O 0.12117788591971 0.99388387351399 0.67414065329525 15.999 > 9 12 O 0.62117788591971 0.99388387351399 0.67414065329525 15.999 > 9 13 O 0.37117788591971 0.25611612648601 0.32585934670475 15.999 > 13 14 O 0.87117788591971 0.25611612648601 0.32585934670475 15.999 > 13 15 O 0.37117788591971 0.75611612648601 0.32585934670475 15.999 > 13 16 O 0.87117788591971 0.75611612648601 0.32585934670475 15.999 > 13 17 O 0.06579594476854 0.37418903286427 0.95448847177329 15.999 > 17 18 O 0.56579594476854 0.37418903286427 0.95448847177329 15.999 > 17 19 O 0.06579594476854 0.87418903286427 0.95448847177329 15.999 > 17 20 O 0.56579594476854 0.87418903286427 0.95448847177329 15.999 > 17 21 O 0.31579594476854 0.37581096713573 0.04551152822671 15.999 > 21 22 O 0.81579594476854 0.37581096713573 0.04551152822671 15.999 > 21 23 O 0.31579594476854 0.87581096713573 0.04551152822671 15.999 > 21 24 O 0.81579594476854 0.87581096713573 0.04551152822671 15.999 > 21 25 O 0.43420405523146 0.12418903286427 0.54551152822671 15.999 > 25 26 O 0.93420405523146 0.12418903286427 0.54551152822671 15.999 > 25 27 O 0.43420405523146 0.62418903286427 0.54551152822671 15.999 > 25 28 O 0.93420405523146 0.62418903286427 0.54551152822671 15.999 > 25 29 O 0.18420405523146 0.12581096713573 0.45448847177329 15.999 > 29 30 O 0.68420405523146 0.12581096713573 0.45448847177329 15.999 > 29 31 O 0.18420405523146 0.62581096713573 0.45448847177329 15.999 > 29 32 O 0.68420405523146 0.62581096713573 0.45448847177329 15.999 > 29 33 O 0.11995519815966 0.21804846659454 0.81289527035901 15.999 > 33 34 O 0.61995519815966 0.21804846659454 0.81289527035901 15.999 > 33 35 O 0.11995519815966 0.71804846659454 0.81289527035901 15.999 > 33 36 O 0.61995519815966 0.71804846659454 0.81289527035901 15.999 > 33 37 O 0.36995519815966 0.03195153340546 0.18710472964099 15.999 > 37 38 O 0.86995519815966 0.03195153340546 0.18710472964099 15.999 > 37 39 O 0.36995519815966 0.53195153340546 0.18710472964099 15.999 > 37 40 O 0.86995519815966 0.53195153340546 0.18710472964099 15.999 > 37 41 O 0.38004480184034 0.46804846659454 0.68710472964099 15.999 > 41 42 O 0.88004480184034 0.46804846659454 0.68710472964099 15.999 > 41 43 O 0.38004480184034 0.96804846659454 0.68710472964099 15.999 > 41 44 O 0.88004480184034 0.96804846659454 0.68710472964099 15.999 > 41 45 O 0.13004480184034 0.28195153340546 0.31289527035901 15.999 > 45 46 O 0.63004480184034 0.28195153340546 0.31289527035901 15.999 > 45 47 O 0.13004480184034 0.78195153340546 0.31289527035901 15.999 > 45 48 O 0.63004480184034 0.78195153340546 0.31289527035901 15.999 > 45 49 O 0.24792534018924 0.29406680117840 0.57622571559482 15.999 > 49 50 O 0.74792534018924 0.29406680117840 0.57622571559482 15.999 > 49 51 O 0.24792534018924 0.79406680117840 0.57622571559482 15.999 > 49 52 O 0.74792534018924 0.79406680117840 0.57622571559482 15.999 > 49 53 O 0.49792534018924 0.45593319882160 0.42377428440518 15.999 > 53 54 O 0.99792534018924 0.45593319882160 0.42377428440518 15.999 > 53 55 O 0.49792534018924 0.95593319882160 0.42377428440518 15.999 > 53 56 O 0.99792534018924 0.95593319882160 0.42377428440518 15.999 > 53 57 O 0.25207465981076 0.04406680117840 0.92377428440518 15.999 > 57 58 O 0.75207465981076 0.04406680117840 0.92377428440518 15.999 > 57 59 O 0.25207465981076 0.54406680117840 0.92377428440518 15.999 > 57 60 O 0.75207465981076 0.54406680117840 0.92377428440518 15.999 > 57 61 O 0.00207465981076 0.20593319882160 0.07622571559482 15.999 > 61 62 O 0.50207465981076 0.20593319882160 0.07622571559482 15.999 > 61 63 O 0.00207465981076 0.70593319882160 0.07622571559482 15.999 > 61 64 O 0.50207465981076 0.70593319882160 0.07622571559482 15.999 > 61 65 Al 0.00842894794485 0.26409702735800 0.91688380878656 26.982 > 65 66 Al 0.50842894794485 0.26409702735800 0.91688380878656 26.982 > 65 67 Al 0.00842894794485 0.76409702735800 0.91688380878656 26.982 > 65 68 Al 0.50842894794485 0.76409702735800 0.91688380878656 26.982 > 65 69 Al 0.25842894794485 0.48590297264200 0.08311619121344 26.982 > 69 70 Al 0.75842894794485 0.48590297264200 0.08311619121344 26.982 > 69 71 Al 0.25842894794485 0.98590297264200 0.08311619121344 26.982 > 69 72 Al 0.75842894794485 0.98590297264200 0.08311619121344 26.982 > 69 73 Al 0.49157105205515 0.01409702735800 0.58311619121344 26.982 > 73 74 Al 0.99157105205515 0.01409702735800 0.58311619121344 26.982 > 73 75 Al 0.49157105205515 0.51409702735800 0.58311619121344 26.982 > 73 76 Al 0.99157105205515 0.51409702735800 0.58311619121344 26.982 > 73 77 Al 0.24157105205515 0.23590297264200 0.41688380878656 26.982 > 77 78 Al 0.74157105205515 0.23590297264200 0.41688380878656 26.982 > 77 79 Al 0.24157105205515 0.73590297264200 0.41688380878656 26.982 > 77 80 Al 0.74157105205515 0.73590297264200 0.41688380878656 26.982 > 77 81 Ba 0.00538696313418 0.04229853227116 0.91925460217118 137.327 > 81 82 Ba 0.50538696313418 0.04229853227116 0.91925460217118 137.327 > 81 83 Ba 0.00538696313418 0.54229853227116 0.91925460217118 137.327 > 81 84 Ba 0.50538696313418 0.54229853227116 0.91925460217118 137.327 > 81 85 Ba 0.24461303686582 0.45770146772884 0.41925460217118 137.327 > 85 86 Ba 0.74461303686582 0.45770146772884 0.41925460217118 137.327 > 85 87 Ba 0.24461303686582 0.95770146772884 0.41925460217118 137.327 > 85 88 Ba 0.74461303686582 0.95770146772884 0.41925460217118 137.327 > 85 89 Ba 0.25538696313418 0.20770146772884 0.08074539782882 137.327 > 89 90 Ba 0.75538696313418 0.20770146772884 0.08074539782882 137.327 > 89 91 Ba 0.25538696313418 0.70770146772884 0.08074539782882 137.327 > 89 92 Ba 0.75538696313418 0.70770146772884 0.08074539782882 137.327 > 89 93 Ba 0.49461303686582 0.29229853227116 0.58074539782882 137.327 > 93 94 Ba 0.99461303686582 0.29229853227116 0.58074539782882 137.327 > 93 95 Ba 0.49461303686582 0.79229853227116 0.58074539782882 137.327 > 93 96 Ba 0.99461303686582 0.79229853227116 0.58074539782882 137.327 > 93 97 La 0.25771111141396 0.12612848355600 0.69846905157537 138.905 > 97 98 La 0.75771111141396 0.12612848355600 0.69846905157537 138.905 > 97 99 La 0.25771111141396 0.62612848355600 0.69846905157537 138.905 > 97 100 La 0.75771111141396 0.62612848355600 0.69846905157537 138.905 > 97 101 La 0.24228888858604 0.37612848355600 0.80153094842463 138.905 > 101 102 La 0.74228888858604 0.37612848355600 0.80153094842463 138.905 > 101 103 La 0.24228888858604 0.87612848355600 0.80153094842463 138.905 > 101 104 La 0.74228888858604 0.87612848355600 0.80153094842463 138.905 > 101 105 La 0.49228888858604 0.37387151644400 0.19846905157537 138.905 > 105 106 La 0.99228888858604 0.37387151644400 0.19846905157537 138.905 > 105 107 La 0.49228888858604 0.87387151644400 0.19846905157537 138.905 > 105 108 La 0.99228888858604 0.87387151644400 0.19846905157537 138.905 > 105 109 La 0.00771111141396 0.12387151644400 0.30153094842463 138.905 > 109 110 La 0.50771111141396 0.12387151644400 0.30153094842463 138.905 > 109 111 La 0.00771111141396 0.62387151644400 0.30153094842463 138.905 > 109 112 La 0.50771111141396 0.62387151644400 0.30153094842463 138.905 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1225088 0.0000000 0.0000000 0.0000000 4.2966985 0.0000000 0.0000000 0.0000000 4.2200945 -------------------------- Born effective charges -------------------------- 1 O -2.5604074 -0.0441519 -0.3211016 0.0827044 -2.2868762 -0.1122446 -0.2569915 -0.1255630 -2.2140007 2 O -2.5604074 0.0441519 0.3211016 -0.0827044 -2.2868762 -0.1122446 0.2569915 -0.1255630 -2.2140007 3 O -2.5604074 0.0441519 -0.3211016 -0.0827044 -2.2868762 0.1122446 -0.2569915 0.1255630 -2.2140007 4 O -2.5604074 -0.0441519 0.3211016 0.0827044 -2.2868762 0.1122446 0.2569915 0.1255630 -2.2140007 5 O -2.1848286 -0.0337159 0.5435145 -0.0628094 -2.4925924 -0.0411438 0.5374839 -0.0483676 -2.3889953 6 O -2.1848286 0.0337159 -0.5435145 0.0628094 -2.4925924 -0.0411438 -0.5374839 -0.0483676 -2.3889953 7 O -2.1848286 0.0337159 0.5435145 0.0628094 -2.4925924 0.0411438 0.5374839 0.0483676 -2.3889953 8 O -2.1848286 -0.0337159 -0.5435145 -0.0628094 -2.4925924 0.0411438 -0.5374839 0.0483676 -2.3889953 9 O -2.4854757 0.3286848 0.4011245 0.2913758 -2.4243085 -0.3014032 0.4663818 -0.2982482 -2.2198640 10 O -2.4854757 -0.3286848 -0.4011245 -0.2913758 -2.4243085 -0.3014032 -0.4663818 -0.2982482 -2.2198640 11 O -2.4854757 -0.3286848 0.4011245 -0.2913758 -2.4243085 0.3014032 0.4663818 0.2982482 -2.2198640 12 O -2.4854757 0.3286848 -0.4011245 0.2913758 -2.4243085 0.3014032 -0.4663818 0.2982482 -2.2198640 13 O -2.0049500 0.0012657 -0.0725346 0.0110502 -2.3858676 -0.2285495 -0.0146229 -0.2322745 -2.6778781 14 O -2.0049500 -0.0012657 0.0725346 -0.0110502 -2.3858676 -0.2285495 0.0146229 -0.2322745 -2.6778781 15 O -2.0049500 -0.0012657 -0.0725346 -0.0110502 -2.3858676 0.2285495 -0.0146229 0.2322745 -2.6778781 16 O -2.0049500 0.0012657 0.0725346 0.0110502 -2.3858676 0.2285495 0.0146229 0.2322745 -2.6778781 17 Al 2.7929486 0.0698939 -0.0088266 0.0597660 2.3936549 0.1310047 -0.0364973 0.1208411 2.6382407 18 Al 2.7929486 -0.0698939 0.0088266 -0.0597660 2.3936549 0.1310047 0.0364973 0.1208411 2.6382407 19 Al 2.7929486 -0.0698939 -0.0088266 -0.0597660 2.3936549 -0.1310047 -0.0364973 -0.1208411 2.6382407 20 Al 2.7929486 0.0698939 0.0088266 0.0597660 2.3936549 -0.1310047 0.0364973 -0.1208411 2.6382407 21 Ba 2.7198126 -0.1027194 -0.0156352 -0.0867776 2.8373469 0.0792605 -0.0249976 0.0628229 2.6254696 22 Ba 2.7198126 -0.1027194 0.0156352 -0.0867776 2.8373469 -0.0792605 0.0249976 -0.0628229 2.6254696 23 Ba 2.7198126 0.1027194 0.0156352 0.0867776 2.8373469 0.0792605 0.0249976 0.0628229 2.6254696 24 Ba 2.7198126 0.1027194 -0.0156352 0.0867776 2.8373469 -0.0792605 -0.0249976 -0.0628229 2.6254696 25 La 3.7229005 -0.0200491 -0.1288412 -0.0268594 4.3586429 0.1049652 -0.3204058 0.0799698 4.2370277 26 La 3.7229005 0.0200491 -0.1288412 0.0268594 4.3586429 -0.1049652 -0.3204058 -0.0799698 4.2370277 27 La 3.7229005 -0.0200491 0.1288412 -0.0268594 4.3586429 -0.1049652 0.3204058 -0.0799698 4.2370277 28 La 3.7229005 0.0200491 0.1288412 0.0268594 4.3586429 0.1049652 0.3204058 0.0799698 4.2370277 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 313, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.834 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 0.000) 0.000 6.065 ( 0.000 0.000 0.000) 0.000 6.224 ( 0.000 0.000 0.000) 0.000 6.237 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.815 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 7.771 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 8.010 ( 0.000 0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.596 ( 0.000 0.000 0.000) 0.000 9.320 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.514 ( 0.000 0.000 0.000) 0.000 10.644 ( 0.000 0.000 0.000) 0.000 10.814 ( 0.000 0.000 0.000) 0.000 11.049 ( 0.000 0.000 0.000) 0.000 11.133 ( 0.000 0.000 0.000) 0.000 11.481 ( 0.000 0.000 0.000) 0.000 11.642 ( 0.000 0.000 0.000) 0.000 12.136 ( 0.000 0.000 0.000) 0.000 12.345 ( 0.000 0.000 0.000) 0.000 12.596 ( 0.000 0.000 0.000) 0.000 12.855 ( 0.000 0.000 0.000) 0.000 13.126 ( 0.000 0.000 0.000) 0.000 13.231 ( 0.000 0.000 0.000) 0.000 13.447 ( 0.000 0.000 0.000) 0.000 13.493 ( 0.000 0.000 0.000) 0.000 14.140 ( 0.000 0.000 0.000) 0.000 19.660 ( 0.000 0.000 0.000) 0.000 19.802 ( 0.000 0.000 0.000) 0.000 19.843 ( 0.000 0.000 0.000) 0.000 19.861 ( 0.000 0.000 0.000) 0.000 20.341 ( 0.000 0.000 0.000) 0.000 20.575 ( 0.000 0.000 0.000) 0.000 20.594 ( 0.000 0.000 0.000) 0.000 21.087 ( 0.000 0.000 0.000) 0.000 21.091 ( 0.000 0.000 0.000) 0.000 21.450 ( 0.000 0.000 0.000) 0.000 21.483 ( 0.000 0.000 0.000) 0.000 22.100 ( 0.000 0.000 0.000) 0.000 22.174 ( 0.000 0.000 0.000) 0.000 22.329 ( 0.000 0.000 0.000) 0.000 22.676 ( 0.000 0.000 0.000) 0.000 23.281 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 24.947 0.000 0.000) 24.947 0.619 ( 31.735 0.000 0.000) 31.735 1.120 ( 56.078 0.000 0.000) 56.078 1.932 ( 4.189 0.000 0.000) 4.189 2.337 ( -0.816 0.000 0.000) 0.816 2.351 ( -4.804 0.000 0.000) 4.804 2.447 ( -0.610 0.000 0.000) 0.610 2.462 ( 0.618 0.000 0.000) 0.618 2.599 ( -2.282 0.000 0.000) 2.282 2.619 ( 2.410 0.000 0.000) 2.410 2.783 ( 1.042 0.000 0.000) 1.042 2.863 ( 1.143 0.000 0.000) 1.143 3.057 ( -0.988 0.000 0.000) 0.988 3.271 ( 0.858 0.000 0.000) 0.858 3.331 ( -0.841 0.000 0.000) 0.841 3.462 ( 2.323 0.000 0.000) 2.323 3.534 ( -1.905 0.000 0.000) 1.905 3.637 ( -1.909 0.000 0.000) 1.909 3.680 ( 10.463 0.000 0.000) 10.463 3.902 ( 4.397 0.000 0.000) 4.397 3.908 ( 9.574 0.000 0.000) 9.574 4.000 ( 2.267 0.000 0.000) 2.267 4.048 ( 4.819 0.000 0.000) 4.819 4.049 ( 4.263 0.000 0.000) 4.263 4.727 ( 3.057 0.000 0.000) 3.057 4.763 ( 2.800 0.000 0.000) 2.800 4.901 ( 9.067 0.000 0.000) 9.067 4.973 ( 6.038 0.000 0.000) 6.038 4.982 ( 10.778 0.000 0.000) 10.778 5.071 ( 3.445 0.000 0.000) 3.445 5.478 ( 3.906 0.000 0.000) 3.906 5.562 ( 3.692 0.000 0.000) 3.692 5.740 ( 9.246 0.000 0.000) 9.246 5.807 ( 3.100 0.000 0.000) 3.100 6.002 ( 11.702 0.000 0.000) 11.702 6.103 ( -9.852 0.000 0.000) 9.852 6.220 ( 0.428 0.000 0.000) 0.428 6.432 ( 5.578 0.000 0.000) 5.578 6.729 ( -6.109 0.000 0.000) 6.109 6.805 ( -1.280 0.000 0.000) 1.280 7.183 ( 15.573 0.000 0.000) 15.573 7.250 ( -4.740 0.000 0.000) 4.740 7.450 ( -15.670 0.000 0.000) 15.670 7.453 ( -9.940 0.000 0.000) 9.940 7.627 ( -0.722 0.000 0.000) 0.722 7.923 ( -5.394 0.000 0.000) 5.394 8.013 ( 1.447 0.000 0.000) 1.447 8.156 ( 5.068 0.000 0.000) 5.068 8.696 ( 16.911 0.000 0.000) 16.911 9.128 ( -13.399 0.000 0.000) 13.399 9.298 ( -5.268 0.000 0.000) 5.268 9.586 ( 7.679 0.000 0.000) 7.679 9.608 ( 3.709 0.000 0.000) 3.709 10.587 ( -8.081 0.000 0.000) 8.081 10.808 ( -0.606 0.000 0.000) 0.606 11.073 ( 1.799 0.000 0.000) 1.799 11.255 ( 9.523 0.000 0.000) 9.523 11.479 ( 0.116 0.000 0.000) 0.116 12.110 ( -2.777 0.000 0.000) 2.777 12.110 ( -8.222 0.000 0.000) 8.222 12.407 ( 5.062 0.000 0.000) 5.062 12.593 ( -0.241 0.000 0.000) 0.241 12.899 ( 4.585 0.000 0.000) 4.585 13.110 ( -1.639 0.000 0.000) 1.639 13.282 ( 4.674 0.000 0.000) 4.674 13.478 ( -1.209 0.000 0.000) 1.209 13.809 ( -3.943 0.000 0.000) 3.943 14.125 ( -1.564 0.000 0.000) 1.564 19.792 ( 1.602 0.000 0.000) 1.602 19.884 ( 2.275 0.000 0.000) 2.275 19.953 ( 8.210 0.000 0.000) 8.210 20.228 ( -1.716 0.000 0.000) 1.716 20.370 ( 3.177 0.000 0.000) 3.177 20.586 ( -0.930 0.000 0.000) 0.930 20.599 ( 2.289 0.000 0.000) 2.289 21.068 ( -1.856 0.000 0.000) 1.856 21.124 ( 3.131 0.000 0.000) 3.131 21.422 ( -2.755 0.000 0.000) 2.755 22.060 ( -5.049 0.000 0.000) 5.049 22.145 ( -3.174 0.000 0.000) 3.174 22.274 ( -4.068 0.000 0.000) 4.068 22.441 ( -6.150 0.000 0.000) 6.150 23.336 ( 5.160 0.000 0.000) 5.160 23.636 ( 1.129 0.000 0.000) 1.129 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 23.135 0.000 0.000) 23.135 1.201 ( 28.692 0.000 0.000) 28.692 1.982 ( 10.852 0.000 0.000) 10.852 2.097 ( 28.444 0.000 0.000) 28.444 2.244 ( -3.097 0.000 0.000) 3.097 2.318 ( -0.902 0.000 0.000) 0.902 2.432 ( -0.926 0.000 0.000) 0.926 2.492 ( 5.375 0.000 0.000) 5.375 2.589 ( 0.301 0.000 0.000) 0.301 2.663 ( 1.533 0.000 0.000) 1.533 2.792 ( -0.236 0.000 0.000) 0.236 2.852 ( -1.901 0.000 0.000) 1.901 3.027 ( -2.117 0.000 0.000) 2.117 3.287 ( 1.947 0.000 0.000) 1.947 3.297 ( -2.518 0.000 0.000) 2.518 3.451 ( -0.524 0.000 0.000) 0.524 3.526 ( 0.450 0.000 0.000) 0.450 3.616 ( -0.421 0.000 0.000) 0.421 3.946 ( 7.432 0.000 0.000) 7.432 3.987 ( 3.118 0.000 0.000) 3.118 4.046 ( 11.611 0.000 0.000) 11.611 4.063 ( 5.248 0.000 0.000) 5.248 4.173 ( 8.065 0.000 0.000) 8.065 4.260 ( 14.541 0.000 0.000) 14.541 4.774 ( -2.839 0.000 0.000) 2.839 4.787 ( 1.147 0.000 0.000) 1.147 5.042 ( 5.080 0.000 0.000) 5.080 5.136 ( 14.450 0.000 0.000) 14.450 5.224 ( 9.506 0.000 0.000) 9.506 5.251 ( 15.802 0.000 0.000) 15.802 5.622 ( 10.701 0.000 0.000) 10.701 5.678 ( 5.194 0.000 0.000) 5.194 5.831 ( -5.525 0.000 0.000) 5.525 5.927 ( 11.486 0.000 0.000) 11.486 6.002 ( 5.082 0.000 0.000) 5.082 6.245 ( 9.928 0.000 0.000) 9.928 6.294 ( 10.142 0.000 0.000) 10.142 6.528 ( 4.446 0.000 0.000) 4.446 6.658 ( -1.660 0.000 0.000) 1.660 6.760 ( -3.156 0.000 0.000) 3.156 7.099 ( -8.527 0.000 0.000) 8.527 7.255 ( -8.653 0.000 0.000) 8.653 7.279 ( -2.446 0.000 0.000) 2.446 7.452 ( 10.022 0.000 0.000) 10.022 7.620 ( -1.083 0.000 0.000) 1.083 7.745 ( -11.623 0.000 0.000) 11.623 8.020 ( -1.615 0.000 0.000) 1.615 8.267 ( 8.411 0.000 0.000) 8.411 8.910 ( -8.068 0.000 0.000) 8.068 8.941 ( 1.090 0.000 0.000) 1.090 9.181 ( -2.050 0.000 0.000) 2.050 9.594 ( -5.078 0.000 0.000) 5.078 9.793 ( 12.810 0.000 0.000) 12.810 10.481 ( -1.310 0.000 0.000) 1.310 10.781 ( -2.859 0.000 0.000) 2.859 11.091 ( -0.271 0.000 0.000) 0.271 11.421 ( 7.173 0.000 0.000) 7.173 11.497 ( 1.833 0.000 0.000) 1.833 11.929 ( -9.794 0.000 0.000) 9.794 12.030 ( -5.532 0.000 0.000) 5.532 12.496 ( 3.544 0.000 0.000) 3.544 12.592 ( 0.224 0.000 0.000) 0.224 13.050 ( 10.904 0.000 0.000) 10.904 13.071 ( -1.970 0.000 0.000) 1.970 13.382 ( 5.199 0.000 0.000) 5.199 13.466 ( 0.395 0.000 0.000) 0.395 13.713 ( -5.481 0.000 0.000) 5.481 14.079 ( -3.243 0.000 0.000) 3.243 19.870 ( 6.257 0.000 0.000) 6.257 19.939 ( 3.251 0.000 0.000) 3.251 20.107 ( 6.813 0.000 0.000) 6.813 20.199 ( -0.976 0.000 0.000) 0.976 20.473 ( 7.712 0.000 0.000) 7.712 20.560 ( -1.484 0.000 0.000) 1.484 20.649 ( 2.518 0.000 0.000) 2.518 21.019 ( -3.072 0.000 0.000) 3.072 21.199 ( 4.228 0.000 0.000) 4.228 21.357 ( -3.601 0.000 0.000) 3.601 21.891 ( -11.565 0.000 0.000) 11.565 22.037 ( -8.756 0.000 0.000) 8.756 22.224 ( -1.308 0.000 0.000) 1.308 22.304 ( -6.797 0.000 0.000) 6.797 23.451 ( 6.356 0.000 0.000) 6.356 23.663 ( 1.554 0.000 0.000) 1.554 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 19.731 0.000 0.000) 19.731 1.698 ( 22.616 0.000 0.000) 22.616 2.018 ( -2.355 0.000 0.000) 2.355 2.124 ( -2.681 0.000 0.000) 2.681 2.314 ( 0.639 0.000 0.000) 0.639 2.411 ( 1.990 0.000 0.000) 1.990 2.412 ( -0.922 0.000 0.000) 0.922 2.559 ( -2.647 0.000 0.000) 2.647 2.657 ( -2.088 0.000 0.000) 2.088 2.721 ( 2.045 0.000 0.000) 2.045 2.794 ( 1.082 0.000 0.000) 1.082 2.889 ( 9.320 0.000 0.000) 9.320 2.976 ( -3.151 0.000 0.000) 3.151 3.232 ( -4.187 0.000 0.000) 4.187 3.454 ( 17.080 0.000 0.000) 17.080 3.484 ( 2.578 0.000 0.000) 2.578 3.559 ( 4.898 0.000 0.000) 4.898 3.611 ( 0.809 0.000 0.000) 0.809 4.003 ( 1.705 0.000 0.000) 1.705 4.023 ( 0.905 0.000 0.000) 0.905 4.158 ( 2.480 0.000 0.000) 2.480 4.244 ( 5.262 0.000 0.000) 5.262 4.336 ( 8.153 0.000 0.000) 8.153 4.529 ( 12.311 0.000 0.000) 12.311 4.669 ( -5.484 0.000 0.000) 5.484 4.744 ( -4.794 0.000 0.000) 4.794 5.184 ( 7.378 0.000 0.000) 7.378 5.404 ( 11.221 0.000 0.000) 11.221 5.414 ( 10.681 0.000 0.000) 10.681 5.499 ( 6.785 0.000 0.000) 6.785 5.700 ( -1.264 0.000 0.000) 1.264 5.723 ( 0.983 0.000 0.000) 0.983 5.844 ( 8.791 0.000 0.000) 8.791 6.132 ( 6.720 0.000 0.000) 6.720 6.193 ( 10.898 0.000 0.000) 10.898 6.409 ( 7.350 0.000 0.000) 7.350 6.498 ( 7.567 0.000 0.000) 7.567 6.634 ( 8.314 0.000 0.000) 8.314 6.678 ( 5.546 0.000 0.000) 5.546 6.705 ( -1.737 0.000 0.000) 1.737 7.035 ( 1.604 0.000 0.000) 1.604 7.172 ( 0.381 0.000 0.000) 0.381 7.262 ( -0.545 0.000 0.000) 0.545 7.402 ( -11.436 0.000 0.000) 11.436 7.570 ( -4.075 0.000 0.000) 4.075 7.662 ( 0.021 0.000 0.000) 0.021 7.949 ( -3.936 0.000 0.000) 3.936 8.498 ( 15.168 0.000 0.000) 15.168 8.719 ( -17.996 0.000 0.000) 17.996 8.845 ( 1.269 0.000 0.000) 1.269 9.197 ( -1.673 0.000 0.000) 1.673 9.429 ( -11.590 0.000 0.000) 11.590 10.046 ( 13.241 0.000 0.000) 13.241 10.567 ( 9.534 0.000 0.000) 9.534 10.683 ( -7.320 0.000 0.000) 7.320 11.059 ( -3.187 0.000 0.000) 3.187 11.527 ( 4.138 0.000 0.000) 4.138 11.540 ( 2.248 0.000 0.000) 2.248 11.764 ( -6.911 0.000 0.000) 6.911 11.903 ( -7.472 0.000 0.000) 7.472 12.540 ( 1.433 0.000 0.000) 1.433 12.596 ( -0.118 0.000 0.000) 0.118 13.060 ( 1.415 0.000 0.000) 1.415 13.250 ( 6.597 0.000 0.000) 6.597 13.479 ( 6.144 0.000 0.000) 6.144 13.496 ( 2.521 0.000 0.000) 2.521 13.629 ( -2.406 0.000 0.000) 2.406 13.998 ( -5.347 0.000 0.000) 5.347 20.003 ( 3.287 0.000 0.000) 3.287 20.006 ( 6.928 0.000 0.000) 6.928 20.195 ( 2.500 0.000 0.000) 2.500 20.197 ( 0.679 0.000 0.000) 0.679 20.526 ( -0.771 0.000 0.000) 0.771 20.669 ( 11.119 0.000 0.000) 11.119 20.680 ( 0.178 0.000 0.000) 0.178 20.962 ( -2.385 0.000 0.000) 2.385 21.269 ( 2.666 0.000 0.000) 2.666 21.299 ( -2.216 0.000 0.000) 2.216 21.667 ( -10.732 0.000 0.000) 10.732 21.815 ( -13.354 0.000 0.000) 13.354 22.206 ( -0.827 0.000 0.000) 0.827 22.211 ( -2.929 0.000 0.000) 2.929 23.565 ( 5.288 0.000 0.000) 5.288 23.688 ( 0.820 0.000 0.000) 0.820 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 14.536 0.000 0.000) 14.536 1.910 ( -8.481 0.000 0.000) 8.481 2.028 ( 10.415 0.000 0.000) 10.415 2.107 ( -0.510 0.000 0.000) 0.510 2.348 ( 3.613 0.000 0.000) 3.613 2.409 ( 0.810 0.000 0.000) 0.810 2.411 ( -1.057 0.000 0.000) 1.057 2.472 ( -5.858 0.000 0.000) 5.858 2.622 ( -0.206 0.000 0.000) 0.206 2.669 ( -4.212 0.000 0.000) 4.212 2.835 ( 3.007 0.000 0.000) 3.007 2.903 ( -3.879 0.000 0.000) 3.879 3.034 ( 5.930 0.000 0.000) 5.930 3.141 ( -5.259 0.000 0.000) 5.259 3.516 ( 1.566 0.000 0.000) 1.566 3.551 ( -1.793 0.000 0.000) 1.793 3.742 ( 12.757 0.000 0.000) 12.757 3.888 ( 16.988 0.000 0.000) 16.988 3.978 ( -8.492 0.000 0.000) 8.492 4.022 ( -0.288 0.000 0.000) 0.288 4.130 ( -0.480 0.000 0.000) 0.480 4.232 ( -5.965 0.000 0.000) 5.965 4.478 ( 7.458 0.000 0.000) 7.458 4.624 ( -7.148 0.000 0.000) 7.148 4.665 ( 3.611 0.000 0.000) 3.611 4.689 ( 3.070 0.000 0.000) 3.070 5.288 ( 4.738 0.000 0.000) 4.738 5.404 ( -6.665 0.000 0.000) 6.665 5.605 ( 7.062 0.000 0.000) 7.062 5.613 ( 4.595 0.000 0.000) 4.595 5.693 ( 1.937 0.000 0.000) 1.937 5.773 ( -2.137 0.000 0.000) 2.137 6.002 ( 10.864 0.000 0.000) 10.864 6.208 ( -7.820 0.000 0.000) 7.820 6.282 ( 9.059 0.000 0.000) 9.059 6.440 ( -5.267 0.000 0.000) 5.267 6.593 ( 3.996 0.000 0.000) 3.996 6.655 ( -2.409 0.000 0.000) 2.409 6.880 ( 12.000 0.000 0.000) 12.000 6.907 ( 15.042 0.000 0.000) 15.042 7.082 ( 1.337 0.000 0.000) 1.337 7.185 ( -2.170 0.000 0.000) 2.170 7.240 ( -0.831 0.000 0.000) 0.831 7.270 ( -3.163 0.000 0.000) 3.163 7.489 ( -3.100 0.000 0.000) 3.100 7.535 ( -9.463 0.000 0.000) 9.463 8.014 ( 11.601 0.000 0.000) 11.601 8.337 ( -20.095 0.000 0.000) 20.095 8.818 ( 16.353 0.000 0.000) 16.353 8.926 ( 5.469 0.000 0.000) 5.469 9.105 ( -6.216 0.000 0.000) 6.216 9.174 ( -14.139 0.000 0.000) 14.139 10.291 ( 12.279 0.000 0.000) 12.279 10.510 ( -10.451 0.000 0.000) 10.451 10.782 ( 11.291 0.000 0.000) 11.291 10.961 ( -7.197 0.000 0.000) 7.197 11.576 ( 1.524 0.000 0.000) 1.524 11.585 ( 1.486 0.000 0.000) 1.486 11.686 ( -0.266 0.000 0.000) 0.266 11.761 ( -6.678 0.000 0.000) 6.678 12.562 ( 1.072 0.000 0.000) 1.072 12.584 ( -1.056 0.000 0.000) 1.056 13.131 ( 5.552 0.000 0.000) 5.552 13.242 ( -5.038 0.000 0.000) 5.038 13.547 ( 2.416 0.000 0.000) 2.416 13.575 ( 0.140 0.000 0.000) 0.140 13.689 ( 9.687 0.000 0.000) 9.687 13.869 ( -8.203 0.000 0.000) 8.203 20.063 ( 2.808 0.000 0.000) 2.808 20.089 ( 0.991 0.000 0.000) 0.991 20.216 ( 0.966 0.000 0.000) 0.966 20.221 ( 0.564 0.000 0.000) 0.564 20.549 ( 3.523 0.000 0.000) 3.523 20.637 ( -4.425 0.000 0.000) 4.425 20.861 ( 7.620 0.000 0.000) 7.620 20.936 ( -1.118 0.000 0.000) 1.118 21.280 ( 0.359 0.000 0.000) 0.359 21.294 ( -0.069 0.000 0.000) 0.069 21.522 ( -3.236 0.000 0.000) 3.236 21.582 ( -9.245 0.000 0.000) 9.245 22.183 ( -0.297 0.000 0.000) 0.297 22.190 ( -0.793 0.000 0.000) 0.793 23.647 ( 3.256 0.000 0.000) 3.256 23.688 ( -0.978 0.000 0.000) 0.978 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 0.000 24.736 0.000) 24.736 0.567 ( 0.000 28.793 0.000) 28.793 1.074 ( 0.000 52.625 0.000) 52.625 1.945 ( 0.000 4.947 0.000) 4.947 2.307 ( 0.000 -1.328 0.000) 1.328 2.373 ( 0.000 2.170 0.000) 2.170 2.446 ( 0.000 1.076 0.000) 1.076 2.521 ( 0.000 -8.347 0.000) 8.347 2.589 ( 0.000 7.308 0.000) 7.308 2.595 ( 0.000 -3.237 0.000) 3.237 2.886 ( 0.000 5.615 0.000) 5.615 2.933 ( 0.000 4.641 0.000) 4.641 2.978 ( 0.000 -7.584 0.000) 7.584 3.329 ( 0.000 5.409 0.000) 5.409 3.346 ( 0.000 2.002 0.000) 2.002 3.393 ( 0.000 -0.441 0.000) 0.441 3.424 ( 0.000 4.158 0.000) 4.158 3.638 ( 0.000 -4.163 0.000) 4.163 3.661 ( 0.000 5.229 0.000) 5.229 3.784 ( 0.000 4.783 0.000) 4.783 3.871 ( 0.000 -1.061 0.000) 1.061 3.912 ( 0.000 1.696 0.000) 1.696 3.998 ( 0.000 9.421 0.000) 9.421 4.251 ( 0.000 15.228 0.000) 15.228 4.666 ( 0.000 -5.931 0.000) 5.931 4.683 ( 0.000 -2.341 0.000) 2.341 4.704 ( 0.000 -3.511 0.000) 3.511 4.924 ( 0.000 4.724 0.000) 4.724 5.075 ( 0.000 -2.014 0.000) 2.014 5.109 ( 0.000 5.137 0.000) 5.137 5.388 ( 0.000 -6.011 0.000) 6.011 5.692 ( 0.000 5.657 0.000) 5.657 5.770 ( 0.000 -0.921 0.000) 0.921 5.885 ( 0.000 -0.091 0.000) 0.091 6.114 ( 0.000 3.710 0.000) 3.710 6.184 ( 0.000 -1.708 0.000) 1.708 6.232 ( 0.000 -0.483 0.000) 0.483 6.578 ( 0.000 5.917 0.000) 5.917 6.622 ( 0.000 -13.078 0.000) 13.078 6.816 ( 0.000 -4.823 0.000) 4.823 6.902 ( 0.000 -5.208 0.000) 5.208 7.374 ( 0.000 -7.642 0.000) 7.642 7.502 ( 0.000 4.753 0.000) 4.753 7.510 ( 0.000 -5.711 0.000) 5.711 7.840 ( 0.000 -8.494 0.000) 8.494 7.883 ( 0.000 7.047 0.000) 7.047 7.901 ( 0.000 7.717 0.000) 7.717 8.116 ( 0.000 7.974 0.000) 7.974 8.639 ( 0.000 3.978 0.000) 3.978 8.790 ( 0.000 -13.316 0.000) 13.316 9.376 ( 0.000 -3.112 0.000) 3.112 9.445 ( 0.000 -6.689 0.000) 6.689 9.664 ( 0.000 8.698 0.000) 8.698 10.427 ( 0.000 -14.466 0.000) 14.466 10.962 ( 0.000 -4.760 0.000) 4.760 10.987 ( 0.000 10.032 0.000) 10.032 11.230 ( 0.000 5.140 0.000) 5.140 11.577 ( 0.000 -6.251 0.000) 6.251 12.169 ( 0.000 3.191 0.000) 3.191 12.358 ( 0.000 1.082 0.000) 1.082 12.537 ( 0.000 -4.735 0.000) 4.735 12.590 ( 0.000 0.644 0.000) 0.644 12.923 ( 0.000 5.905 0.000) 5.905 13.055 ( 0.000 -9.561 0.000) 9.561 13.222 ( 0.000 1.567 0.000) 1.567 13.362 ( 0.000 -8.024 0.000) 8.024 13.847 ( 0.000 -0.812 0.000) 0.812 14.099 ( 0.000 -4.004 0.000) 4.004 19.683 ( 0.000 2.271 0.000) 2.271 19.843 ( 0.000 3.684 0.000) 3.684 19.874 ( 0.000 1.097 0.000) 1.097 20.077 ( 0.000 -0.462 0.000) 0.462 20.581 ( 0.000 0.615 0.000) 0.615 20.600 ( 0.000 0.485 0.000) 0.485 20.993 ( 0.000 -0.695 0.000) 0.695 21.064 ( 0.000 -1.943 0.000) 1.943 21.142 ( 0.000 4.495 0.000) 4.495 21.490 ( 0.000 1.015 0.000) 1.015 21.506 ( 0.000 4.701 0.000) 4.701 22.153 ( 0.000 -2.186 0.000) 2.186 22.400 ( 0.000 6.725 0.000) 6.725 22.684 ( 0.000 1.151 0.000) 1.151 23.002 ( 0.000 -4.227 0.000) 4.227 23.550 ( 0.000 -4.944 0.000) 4.944 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 22.734 18.428 0.000) 29.265 0.900 ( 21.027 22.555 0.000) 30.836 1.404 ( 35.211 30.777 0.000) 46.766 1.988 ( 4.225 4.844 0.000) 6.427 2.276 ( -3.184 -3.357 0.000) 4.627 2.377 ( -0.366 2.937 0.000) 2.960 2.455 ( 0.741 2.065 0.000) 2.194 2.548 ( 2.404 -3.701 0.000) 4.413 2.583 ( 0.945 -2.585 0.000) 2.752 2.624 ( 2.112 7.929 0.000) 8.206 2.849 ( -2.808 1.586 0.000) 3.225 2.916 ( -1.441 5.928 0.000) 6.100 2.993 ( 0.920 -4.200 0.000) 4.299 3.319 ( -0.853 3.838 0.000) 3.931 3.376 ( -0.937 2.169 0.000) 2.362 3.469 ( 6.305 -0.521 0.000) 6.326 3.509 ( 5.344 0.984 0.000) 5.434 3.559 ( -0.482 -2.304 0.000) 2.353 3.674 ( -0.004 1.978 0.000) 1.978 3.902 ( 7.711 -0.050 0.000) 7.711 3.925 ( 3.596 -1.884 0.000) 4.059 4.002 ( 11.456 3.684 0.000) 12.034 4.047 ( 5.519 9.702 0.000) 11.162 4.264 ( 2.128 14.055 0.000) 14.215 4.686 ( 0.809 -5.372 0.000) 5.432 4.747 ( 5.643 -0.762 0.000) 5.694 4.808 ( 10.840 -5.023 0.000) 11.947 5.027 ( 9.650 4.654 0.000) 10.714 5.110 ( 0.882 4.209 0.000) 4.300 5.141 ( 5.958 2.194 0.000) 6.349 5.424 ( 4.937 -5.094 0.000) 7.094 5.733 ( 1.469 5.952 0.000) 6.130 5.781 ( 1.657 1.153 0.000) 2.018 5.944 ( -3.527 10.557 0.000) 11.131 5.975 ( 5.092 0.472 0.000) 5.114 6.149 ( -0.256 3.619 0.000) 3.628 6.291 ( -1.660 6.095 0.000) 6.317 6.433 ( 1.033 0.067 0.000) 1.035 6.602 ( -2.275 -7.820 0.000) 8.144 6.819 ( 0.619 -1.652 0.000) 1.764 7.033 ( 9.331 -10.579 0.000) 14.107 7.265 ( -6.547 -7.108 0.000) 9.664 7.361 ( -11.477 0.332 0.000) 11.481 7.490 ( -5.307 0.737 0.000) 5.358 7.650 ( -7.431 -0.494 0.000) 7.448 7.857 ( -3.816 -3.678 0.000) 5.300 8.027 ( 2.549 4.983 0.000) 5.598 8.292 ( 9.453 8.924 0.000) 13.000 8.720 ( 12.250 1.334 0.000) 12.323 8.959 ( 5.280 -13.897 0.000) 14.866 9.185 ( -8.702 -8.055 0.000) 11.858 9.483 ( 0.320 4.821 0.000) 4.832 9.807 ( 8.780 1.472 0.000) 8.903 10.381 ( -3.690 -12.080 0.000) 12.631 10.944 ( -2.614 7.782 0.000) 8.209 10.995 ( 2.718 -5.170 0.000) 5.841 11.316 ( 7.249 3.922 0.000) 8.242 11.529 ( -4.314 0.307 0.000) 4.325 12.034 ( -10.444 0.350 0.000) 10.450 12.289 ( -12.164 4.113 0.000) 12.840 12.424 ( 3.375 1.926 0.000) 3.886 12.559 ( -1.234 -2.357 0.000) 2.660 12.912 ( -0.639 0.920 0.000) 1.120 13.110 ( 5.316 -5.427 0.000) 7.596 13.241 ( 1.822 1.920 0.000) 2.647 13.429 ( 2.606 -7.297 0.000) 7.749 13.714 ( -7.232 -3.497 0.000) 8.033 14.146 ( 0.200 -1.233 0.000) 1.249 19.745 ( 4.175 -0.982 0.000) 4.289 19.894 ( 3.326 1.415 0.000) 3.615 19.958 ( 8.427 1.652 0.000) 8.588 20.134 ( 4.518 -1.985 0.000) 4.935 20.575 ( -2.506 1.445 0.000) 2.893 20.609 ( 2.177 1.152 0.000) 2.463 20.715 ( -11.028 14.046 0.000) 17.858 21.053 ( -1.574 -1.392 0.000) 2.101 21.123 ( 1.768 0.506 0.000) 1.839 21.463 ( -3.420 2.967 0.000) 4.527 21.816 ( 9.047 -11.180 0.000) 14.382 22.154 ( 0.638 -1.490 0.000) 1.621 22.320 ( -7.738 6.736 0.000) 10.259 22.587 ( -6.906 7.247 0.000) 10.011 23.151 ( 10.188 -11.678 0.000) 15.498 23.558 ( 0.934 -5.965 0.000) 6.038 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 17.162 22.971 0.000) 28.675 1.305 ( 25.021 10.212 0.000) 27.025 2.028 ( 11.420 4.432 0.000) 12.250 2.101 ( 8.558 0.483 0.000) 8.571 2.262 ( 9.521 4.334 0.000) 10.461 2.370 ( 0.049 5.008 0.000) 5.008 2.509 ( 5.700 3.644 0.000) 6.765 2.571 ( 0.997 1.649 0.000) 1.927 2.602 ( 0.196 3.928 0.000) 3.933 2.677 ( 3.366 4.486 0.000) 5.608 2.801 ( -1.468 -1.674 0.000) 2.227 2.881 ( -2.229 4.288 0.000) 4.833 2.996 ( -0.681 -1.528 0.000) 1.673 3.292 ( -1.451 1.513 0.000) 2.096 3.362 ( 0.600 3.927 0.000) 3.972 3.471 ( -0.621 1.438 0.000) 1.566 3.574 ( 1.384 -2.076 0.000) 2.495 3.585 ( -0.119 5.018 0.000) 5.019 3.816 ( 11.029 -7.174 0.000) 13.157 3.988 ( 3.689 2.114 0.000) 4.251 4.016 ( 4.727 -2.324 0.000) 5.267 4.214 ( 10.737 9.336 0.000) 14.228 4.271 ( 11.725 7.701 0.000) 14.028 4.365 ( 10.457 10.440 0.000) 14.776 4.688 ( -1.226 -5.841 0.000) 5.968 4.834 ( 1.346 2.089 0.000) 2.485 5.038 ( 9.666 -3.367 0.000) 10.235 5.144 ( 8.599 1.682 0.000) 8.761 5.252 ( 9.545 2.873 0.000) 9.969 5.312 ( 12.174 4.441 0.000) 12.959 5.573 ( 7.553 -3.004 0.000) 8.129 5.732 ( 3.103 4.854 0.000) 5.761 5.892 ( 8.374 -0.423 0.000) 8.385 5.931 ( -2.271 6.004 0.000) 6.419 6.058 ( 7.335 4.306 0.000) 8.506 6.294 ( 6.885 4.656 0.000) 8.311 6.301 ( 9.602 2.011 0.000) 9.811 6.517 ( 5.409 -1.491 0.000) 5.610 6.572 ( -1.359 -4.450 0.000) 4.653 6.819 ( -0.138 1.425 0.000) 1.432 7.072 ( -8.060 -3.395 0.000) 8.745 7.138 ( -2.828 -8.272 0.000) 8.742 7.304 ( 4.893 -10.551 0.000) 11.631 7.364 ( -3.397 4.433 0.000) 5.585 7.575 ( -3.668 -3.523 0.000) 5.086 7.745 ( -7.688 -1.715 0.000) 7.877 7.987 ( -5.134 1.305 0.000) 5.298 8.460 ( 9.221 12.012 0.000) 15.143 8.839 ( -5.830 -5.585 0.000) 8.074 8.967 ( -1.032 0.442 0.000) 1.122 9.127 ( 3.218 -4.526 0.000) 5.553 9.514 ( 1.343 0.001 0.000) 1.343 9.942 ( 6.888 5.428 0.000) 8.770 10.339 ( 0.635 -8.349 0.000) 8.373 10.898 ( -2.989 5.510 0.000) 6.268 11.036 ( 0.732 -4.445 0.000) 4.505 11.446 ( 2.268 1.006 0.000) 2.481 11.463 ( 1.743 0.515 0.000) 1.817 11.862 ( -7.647 -4.679 0.000) 8.965 12.092 ( -9.119 3.532 0.000) 9.779 12.494 ( 3.018 -0.345 0.000) 3.038 12.547 ( 0.135 -4.293 0.000) 4.295 12.916 ( 1.180 -4.804 0.000) 4.946 13.240 ( 7.718 1.245 0.000) 7.818 13.280 ( 2.176 -2.501 0.000) 3.315 13.457 ( 1.223 -3.250 0.000) 3.472 13.603 ( -4.574 -6.341 0.000) 7.819 14.108 ( -3.588 0.819 0.000) 3.680 19.848 ( 6.714 -0.464 0.000) 6.730 19.963 ( 3.938 1.823 0.000) 4.339 20.122 ( 7.474 1.630 0.000) 7.650 20.209 ( 2.988 0.005 0.000) 2.988 20.539 ( 0.912 2.178 0.000) 2.361 20.610 ( -2.311 7.575 0.000) 7.920 20.664 ( 2.342 1.512 0.000) 2.788 21.010 ( -2.782 -0.795 0.000) 2.894 21.170 ( 2.690 -2.363 0.000) 3.580 21.385 ( -3.996 1.572 0.000) 4.294 21.811 ( -6.220 -4.296 0.000) 7.559 22.123 ( -12.264 3.796 0.000) 12.838 22.179 ( 1.205 2.224 0.000) 2.530 22.464 ( -5.507 10.646 0.000) 11.986 23.326 ( 8.109 -11.263 0.000) 13.878 23.584 ( 1.594 -6.987 0.000) 7.166 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 15.598 17.275 0.000) 23.274 1.746 ( 19.955 5.006 0.000) 20.574 2.085 ( -0.124 5.645 0.000) 5.646 2.128 ( 0.813 0.838 0.000) 1.167 2.377 ( 1.504 4.532 0.000) 4.775 2.428 ( 1.822 4.523 0.000) 4.876 2.506 ( -3.938 5.926 0.000) 7.115 2.576 ( -2.382 0.631 0.000) 2.465 2.624 ( 0.137 -1.188 0.000) 1.196 2.745 ( -0.868 2.439 0.000) 2.588 2.845 ( -0.147 3.726 0.000) 3.728 2.903 ( 9.042 0.956 0.000) 9.092 2.966 ( -2.412 0.025 0.000) 2.412 3.260 ( -3.436 2.621 0.000) 4.322 3.460 ( 7.140 1.355 0.000) 7.268 3.506 ( 5.409 0.619 0.000) 5.444 3.594 ( 2.843 0.188 0.000) 2.849 3.624 ( 7.539 4.801 0.000) 8.938 3.959 ( 3.489 -4.061 0.000) 5.354 4.057 ( 3.299 4.691 0.000) 5.735 4.123 ( 6.316 -1.444 0.000) 6.479 4.356 ( 1.498 7.466 0.000) 7.615 4.414 ( 4.057 6.914 0.000) 8.016 4.599 ( 6.822 5.510 0.000) 8.769 4.643 ( 1.108 -1.276 0.000) 1.690 4.808 ( -0.745 6.247 0.000) 6.291 5.180 ( 6.309 -2.654 0.000) 6.845 5.351 ( 9.367 -1.210 0.000) 9.445 5.438 ( 8.015 2.782 0.000) 8.484 5.537 ( 8.816 2.385 0.000) 9.133 5.623 ( 1.517 -2.734 0.000) 3.127 5.826 ( 1.474 5.711 0.000) 5.898 5.923 ( 6.402 6.109 0.000) 8.849 6.100 ( 8.911 -4.927 0.000) 10.182 6.198 ( 4.995 3.551 0.000) 6.128 6.388 ( 3.871 -1.754 0.000) 4.250 6.514 ( 7.164 2.689 0.000) 7.652 6.550 ( 3.279 -6.595 0.000) 7.365 6.677 ( 11.945 2.433 0.000) 12.190 6.836 ( 1.432 5.297 0.000) 5.487 6.999 ( 1.878 -3.794 0.000) 4.233 7.133 ( 1.778 -3.749 0.000) 4.150 7.258 ( -4.239 2.517 0.000) 4.930 7.451 ( -7.836 1.204 0.000) 7.928 7.464 ( 5.402 -9.985 0.000) 11.352 7.621 ( -4.078 -2.370 0.000) 4.716 7.860 ( -7.042 -4.910 0.000) 8.585 8.595 ( -15.586 -10.140 0.000) 18.594 8.680 ( 11.359 12.288 0.000) 16.734 8.947 ( 1.274 9.190 0.000) 9.278 9.174 ( -1.235 -2.060 0.000) 2.401 9.462 ( -7.081 3.279 0.000) 7.803 10.112 ( 10.700 5.242 0.000) 11.915 10.439 ( 9.344 -7.589 0.000) 12.038 10.796 ( -7.653 5.579 0.000) 9.471 11.011 ( -3.490 -4.346 0.000) 5.574 11.454 ( 1.821 -5.996 0.000) 6.267 11.545 ( 2.933 0.729 0.000) 3.022 11.739 ( -4.742 -2.135 0.000) 5.200 11.929 ( -7.914 2.490 0.000) 8.297 12.530 ( 1.006 -1.272 0.000) 1.622 12.559 ( 0.707 -3.946 0.000) 4.009 12.959 ( 3.536 -6.646 0.000) 7.528 13.282 ( -1.998 -1.329 0.000) 2.400 13.398 ( 6.398 -8.789 0.000) 10.871 13.477 ( 0.456 -2.830 0.000) 2.867 13.579 ( 4.055 0.383 0.000) 4.073 14.020 ( -5.537 1.138 0.000) 5.652 19.989 ( 7.254 0.303 0.000) 7.260 20.045 ( 4.625 2.806 0.000) 5.409 20.217 ( 2.561 2.183 0.000) 3.365 20.250 ( 1.356 3.263 0.000) 3.534 20.544 ( -1.860 1.746 0.000) 2.551 20.653 ( 7.179 -0.241 0.000) 7.183 20.688 ( -0.125 0.311 0.000) 0.335 20.955 ( -2.714 -0.847 0.000) 2.843 21.217 ( 2.345 -3.172 0.000) 3.945 21.335 ( -0.846 1.462 0.000) 1.689 21.659 ( -8.436 0.404 0.000) 8.445 21.859 ( -14.497 3.514 0.000) 14.917 22.206 ( 1.762 4.415 0.000) 4.754 22.378 ( -3.791 11.291 0.000) 11.911 23.462 ( 6.120 -9.798 0.000) 11.552 23.609 ( 0.767 -7.416 0.000) 7.456 ======================= Grid point 13 (10/60) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 11.324 11.575 0.000) 16.193 1.967 ( -1.379 4.674 0.000) 4.873 2.104 ( 5.684 7.492 0.000) 9.404 2.163 ( 1.134 4.944 0.000) 5.073 2.405 ( -0.200 4.757 0.000) 4.762 2.425 ( 0.278 1.829 0.000) 1.849 2.443 ( -0.524 3.378 0.000) 3.419 2.508 ( -4.479 3.548 0.000) 5.714 2.629 ( 1.647 1.162 0.000) 2.016 2.694 ( -4.030 2.138 0.000) 4.562 2.856 ( 1.680 1.981 0.000) 2.598 2.908 ( -3.318 0.724 0.000) 3.396 3.037 ( 6.545 -0.014 0.000) 6.545 3.162 ( -6.227 1.743 0.000) 6.467 3.497 ( 1.086 -1.954 0.000) 2.235 3.526 ( -1.688 -1.841 0.000) 2.497 3.790 ( 12.204 3.394 0.000) 12.667 3.899 ( 14.843 2.915 0.000) 15.126 3.961 ( -3.697 -0.631 0.000) 3.751 4.093 ( -3.454 6.348 0.000) 7.227 4.183 ( 1.136 4.331 0.000) 4.478 4.271 ( -5.202 2.529 0.000) 5.784 4.470 ( 3.658 0.003 0.000) 3.658 4.563 ( -4.774 -3.436 0.000) 5.882 4.778 ( 6.923 10.679 0.000) 12.727 4.847 ( 0.986 11.721 0.000) 11.762 5.286 ( 5.721 -1.490 0.000) 5.912 5.410 ( -5.942 -1.216 0.000) 6.065 5.505 ( 5.218 -0.004 0.000) 5.218 5.575 ( -2.218 -0.874 0.000) 2.384 5.775 ( 8.745 3.021 0.000) 9.252 5.862 ( 0.009 3.874 0.000) 3.874 6.027 ( 6.103 3.004 0.000) 6.802 6.163 ( -4.719 -3.017 0.000) 5.601 6.272 ( 6.417 -0.707 0.000) 6.456 6.386 ( -3.822 -4.312 0.000) 5.762 6.610 ( 5.301 1.257 0.000) 5.448 6.678 ( 1.365 0.307 0.000) 1.399 6.862 ( 7.257 -0.484 0.000) 7.273 6.953 ( 9.621 2.703 0.000) 9.993 7.078 ( 0.559 -0.676 0.000) 0.878 7.112 ( 2.013 -4.572 0.000) 4.996 7.229 ( 0.151 -0.973 0.000) 0.985 7.323 ( -8.129 1.527 0.000) 8.271 7.498 ( -0.429 1.294 0.000) 1.363 7.528 ( -5.300 -0.212 0.000) 5.305 7.883 ( 12.230 -9.961 0.000) 15.773 8.223 ( -20.530 -9.466 0.000) 22.607 8.936 ( 11.747 5.189 0.000) 12.842 9.028 ( 7.518 12.332 0.000) 14.443 9.095 ( -5.293 -0.782 0.000) 5.351 9.265 ( -12.673 8.512 0.000) 15.266 10.334 ( 12.066 4.135 0.000) 12.755 10.541 ( -6.769 2.399 0.000) 7.182 10.724 ( 7.214 -4.972 0.000) 8.762 10.899 ( -8.158 -5.909 0.000) 10.073 11.503 ( 2.933 -6.295 0.000) 6.945 11.554 ( -1.909 -3.955 0.000) 4.391 11.711 ( 2.089 2.978 0.000) 3.637 11.794 ( -6.031 3.215 0.000) 6.834 12.546 ( 0.819 -1.953 0.000) 2.118 12.560 ( -0.546 -2.590 0.000) 2.647 13.057 ( 6.540 -6.396 0.000) 9.148 13.190 ( -6.708 -5.365 0.000) 8.589 13.470 ( 2.009 -8.404 0.000) 8.641 13.488 ( 0.194 -6.053 0.000) 6.056 13.728 ( 9.341 3.474 0.000) 9.966 13.894 ( -7.664 1.849 0.000) 7.884 20.099 ( 4.129 3.096 0.000) 5.161 20.125 ( 2.268 3.621 0.000) 4.272 20.239 ( 0.463 1.721 0.000) 1.782 20.256 ( -0.772 3.409 0.000) 3.495 20.543 ( 2.607 -0.307 0.000) 2.625 20.627 ( -4.904 -0.953 0.000) 4.996 20.808 ( 6.945 -4.532 0.000) 8.293 20.904 ( -3.219 -3.278 0.000) 4.594 21.281 ( 4.663 0.966 0.000) 4.762 21.343 ( 0.117 3.971 0.000) 3.972 21.528 ( -3.472 0.525 0.000) 3.512 21.606 ( -10.521 2.404 0.000) 10.792 22.251 ( 2.839 7.596 0.000) 8.109 22.311 ( -3.328 10.039 0.000) 10.577 23.558 ( 3.776 -8.680 0.000) 9.466 23.606 ( -1.259 -7.896 0.000) 7.996 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.000 23.380 0.000) 23.380 1.132 ( 0.000 27.935 0.000) 27.935 2.001 ( 0.000 17.397 0.000) 17.397 2.040 ( 0.000 20.980 0.000) 20.980 2.311 ( 0.000 -9.047 0.000) 9.047 2.314 ( 0.000 1.281 0.000) 1.281 2.429 ( 0.000 3.274 0.000) 3.274 2.448 ( 0.000 -2.168 0.000) 2.168 2.551 ( 0.000 0.927 0.000) 0.927 2.673 ( 0.000 1.659 0.000) 1.659 2.795 ( 0.000 -7.954 0.000) 7.954 3.028 ( 0.000 7.050 0.000) 7.050 3.075 ( 0.000 7.884 0.000) 7.884 3.380 ( 0.000 0.797 0.000) 0.797 3.382 ( 0.000 0.221 0.000) 0.221 3.434 ( 0.000 3.655 0.000) 3.655 3.507 ( 0.000 -7.315 0.000) 7.315 3.562 ( 0.000 7.723 0.000) 7.723 3.763 ( 0.000 4.155 0.000) 4.155 3.880 ( 0.000 2.139 0.000) 2.139 3.929 ( 0.000 10.129 0.000) 10.129 4.047 ( 0.000 8.644 0.000) 8.644 4.194 ( 0.000 11.157 0.000) 11.157 4.448 ( 0.000 -14.968 0.000) 14.968 4.578 ( 0.000 16.890 0.000) 16.890 4.581 ( 0.000 -6.964 0.000) 6.964 4.676 ( 0.000 -1.250 0.000) 1.250 5.034 ( 0.000 4.409 0.000) 4.409 5.067 ( 0.000 3.576 0.000) 3.576 5.203 ( 0.000 -1.031 0.000) 1.031 5.259 ( 0.000 -2.578 0.000) 2.578 5.685 ( 0.000 -9.237 0.000) 9.237 5.824 ( 0.000 6.708 0.000) 6.708 5.870 ( 0.000 0.104 0.000) 0.104 6.156 ( 0.000 2.463 0.000) 2.463 6.211 ( 0.000 -1.829 0.000) 1.829 6.237 ( 0.000 4.190 0.000) 4.190 6.421 ( 0.000 -5.555 0.000) 5.555 6.579 ( 0.000 -4.553 0.000) 4.553 6.733 ( 0.000 -10.537 0.000) 10.537 6.873 ( 0.000 9.968 0.000) 9.968 7.186 ( 0.000 -8.358 0.000) 8.358 7.384 ( 0.000 -7.066 0.000) 7.066 7.583 ( 0.000 -15.139 0.000) 15.139 7.680 ( 0.000 10.775 0.000) 10.775 8.001 ( 0.000 4.973 0.000) 4.973 8.043 ( 0.000 4.956 0.000) 4.956 8.281 ( 0.000 4.215 0.000) 4.215 8.581 ( 0.000 -4.397 0.000) 4.397 8.733 ( 0.000 4.835 0.000) 4.835 9.239 ( 0.000 -8.799 0.000) 8.799 9.270 ( 0.000 -10.287 0.000) 10.287 9.812 ( 0.000 4.577 0.000) 4.577 10.147 ( 0.000 -12.964 0.000) 12.964 10.927 ( 0.000 1.555 0.000) 1.555 11.142 ( 0.000 4.830 0.000) 4.830 11.304 ( 0.000 2.397 0.000) 2.397 11.426 ( 0.000 -7.747 0.000) 7.747 12.248 ( 0.000 4.324 0.000) 4.324 12.377 ( 0.000 0.599 0.000) 0.599 12.451 ( 0.000 -3.243 0.000) 3.243 12.603 ( 0.000 -0.262 0.000) 0.262 12.839 ( 0.000 -9.400 0.000) 9.400 13.063 ( 0.000 7.587 0.000) 7.587 13.164 ( 0.000 -10.688 0.000) 10.688 13.285 ( 0.000 3.898 0.000) 3.898 13.805 ( 0.000 -3.154 0.000) 3.154 13.989 ( 0.000 -6.799 0.000) 6.799 19.744 ( 0.000 3.689 0.000) 3.689 19.890 ( 0.000 0.153 0.000) 0.153 19.926 ( 0.000 4.206 0.000) 4.206 20.064 ( 0.000 -0.851 0.000) 0.851 20.596 ( 0.000 0.809 0.000) 0.809 20.610 ( 0.000 0.494 0.000) 0.494 20.986 ( 0.000 -0.086 0.000) 0.086 21.025 ( 0.000 -1.761 0.000) 1.761 21.249 ( 0.000 5.972 0.000) 5.972 21.494 ( 0.000 -0.708 0.000) 0.708 21.636 ( 0.000 7.876 0.000) 7.876 22.086 ( 0.000 -4.650 0.000) 4.650 22.551 ( 0.000 6.915 0.000) 6.915 22.755 ( 0.000 7.199 0.000) 7.199 22.891 ( 0.000 -6.531 0.000) 6.531 23.412 ( 0.000 -8.811 0.000) 8.811 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 17.790 19.066 0.000) 26.077 1.293 ( 17.591 21.237 0.000) 27.576 2.050 ( 3.090 -1.282 0.000) 3.345 2.067 ( 2.920 20.987 0.000) 21.189 2.273 ( 3.805 7.998 0.000) 8.857 2.434 ( 4.191 -0.624 0.000) 4.237 2.469 ( 2.409 -0.992 0.000) 2.605 2.476 ( 4.549 0.671 0.000) 4.598 2.562 ( 3.480 4.604 0.000) 5.771 2.709 ( 3.239 0.737 0.000) 3.321 2.780 ( -1.521 -5.799 0.000) 5.995 3.033 ( -0.385 6.221 0.000) 6.232 3.071 ( -0.455 8.561 0.000) 8.573 3.387 ( 0.113 0.197 0.000) 0.227 3.400 ( -2.643 3.223 0.000) 4.168 3.443 ( 4.380 -1.458 0.000) 4.616 3.486 ( 0.421 -4.036 0.000) 4.058 3.615 ( 5.125 6.077 0.000) 7.950 3.759 ( -2.710 5.373 0.000) 6.018 3.884 ( 3.860 0.703 0.000) 3.924 4.025 ( 2.692 8.263 0.000) 8.690 4.120 ( 11.799 7.401 0.000) 13.928 4.243 ( 5.955 9.855 0.000) 11.514 4.474 ( 2.096 -8.748 0.000) 8.996 4.580 ( 0.630 9.022 0.000) 9.044 4.675 ( 9.572 -6.407 0.000) 11.518 4.759 ( 7.686 0.679 0.000) 7.716 5.129 ( 5.856 0.324 0.000) 5.865 5.148 ( 10.023 6.863 0.000) 12.147 5.195 ( 0.132 -0.676 0.000) 0.688 5.339 ( 8.250 -0.523 0.000) 8.267 5.712 ( 3.268 -7.181 0.000) 7.890 5.860 ( 3.564 5.590 0.000) 6.630 5.947 ( 6.018 0.140 0.000) 6.020 6.129 ( -1.096 6.385 0.000) 6.478 6.245 ( 6.254 4.537 0.000) 7.726 6.338 ( 5.648 -1.768 0.000) 5.919 6.437 ( -2.583 0.162 0.000) 2.588 6.509 ( -0.694 -0.569 0.000) 0.898 6.768 ( 1.676 -9.331 0.000) 9.480 6.875 ( 2.702 3.232 0.000) 4.212 7.088 ( -8.119 -8.830 0.000) 11.995 7.278 ( -12.102 -7.178 0.000) 14.071 7.481 ( -4.338 -9.854 0.000) 10.767 7.650 ( -4.182 8.736 0.000) 9.685 7.875 ( -6.351 3.770 0.000) 7.385 8.125 ( -0.393 2.599 0.000) 2.629 8.401 ( 7.846 -2.107 0.000) 8.124 8.680 ( 9.533 -1.627 0.000) 9.671 8.828 ( 8.227 1.403 0.000) 8.346 9.075 ( -5.678 -3.185 0.000) 6.511 9.443 ( 7.650 -8.780 0.000) 11.645 9.834 ( 2.935 2.381 0.000) 3.779 10.156 ( 1.309 -10.609 0.000) 10.689 10.934 ( 0.621 -0.161 0.000) 0.642 11.084 ( -4.990 5.693 0.000) 7.571 11.362 ( 5.185 -0.118 0.000) 5.186 11.451 ( 1.577 -6.066 0.000) 6.268 12.112 ( -13.779 6.353 0.000) 15.173 12.298 ( -7.490 -0.660 0.000) 7.519 12.426 ( -0.168 -2.007 0.000) 2.014 12.539 ( -4.158 -0.946 0.000) 4.264 12.863 ( 1.287 -6.049 0.000) 6.185 13.032 ( -0.946 2.063 0.000) 2.269 13.220 ( 3.153 -10.598 0.000) 11.057 13.338 ( 4.245 3.308 0.000) 5.382 13.682 ( -7.423 -0.070 0.000) 7.424 14.066 ( 3.268 -6.327 0.000) 7.121 19.778 ( 3.524 3.390 0.000) 4.890 19.921 ( 3.038 0.704 0.000) 3.119 20.002 ( 7.030 2.480 0.000) 7.454 20.109 ( 4.165 -1.061 0.000) 4.298 20.597 ( -0.670 1.230 0.000) 1.401 20.631 ( 2.422 0.847 0.000) 2.566 20.901 ( -6.732 5.221 0.000) 8.519 21.019 ( -0.935 -1.826 0.000) 2.052 21.171 ( -3.600 4.429 0.000) 5.708 21.470 ( -4.646 -2.900 0.000) 5.477 21.752 ( 7.534 3.857 0.000) 8.464 22.113 ( 2.503 -2.968 0.000) 3.882 22.469 ( -7.521 7.330 0.000) 10.502 22.729 ( -2.391 7.859 0.000) 8.215 22.952 ( 5.552 -8.332 0.000) 10.012 23.409 ( -0.097 -8.972 0.000) 8.972 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 17.863 15.398 0.000) 23.584 1.654 ( 16.729 16.191 0.000) 23.281 2.078 ( 1.719 -1.756 0.000) 2.457 2.139 ( 3.531 4.496 0.000) 5.717 2.389 ( 4.151 2.867 0.000) 5.045 2.499 ( 3.520 4.932 0.000) 6.060 2.518 ( 2.308 -1.520 0.000) 2.764 2.550 ( 3.274 0.782 0.000) 3.366 2.710 ( -3.088 -0.802 0.000) 3.191 2.758 ( 13.260 9.515 0.000) 16.321 2.796 ( 3.730 2.977 0.000) 4.772 3.011 ( -2.097 6.104 0.000) 6.454 3.042 ( -2.276 7.920 0.000) 8.240 3.339 ( -2.237 2.748 0.000) 3.544 3.413 ( 3.728 1.589 0.000) 4.053 3.482 ( 1.143 -1.072 0.000) 1.567 3.552 ( 3.009 -1.015 0.000) 3.176 3.683 ( -2.937 4.136 0.000) 5.072 3.760 ( 8.490 3.100 0.000) 9.038 3.978 ( 5.520 -0.432 0.000) 5.537 4.079 ( 3.816 4.918 0.000) 6.225 4.361 ( 9.878 6.100 0.000) 11.610 4.459 ( 14.684 9.677 0.000) 17.586 4.519 ( 1.833 -9.116 0.000) 9.298 4.617 ( 4.847 11.035 0.000) 12.053 4.861 ( 6.921 -0.649 0.000) 6.952 4.948 ( 10.591 -3.556 0.000) 11.172 5.156 ( 2.373 -1.633 0.000) 2.880 5.319 ( 10.162 4.046 0.000) 10.938 5.390 ( 13.201 4.661 0.000) 14.000 5.545 ( 11.271 0.296 0.000) 11.274 5.822 ( 7.964 -5.257 0.000) 9.542 5.879 ( -2.034 8.670 0.000) 8.905 6.075 ( 7.210 3.007 0.000) 7.812 6.140 ( 1.986 7.176 0.000) 7.445 6.339 ( -0.756 0.525 0.000) 0.921 6.427 ( 6.857 5.580 0.000) 8.841 6.468 ( 9.084 -0.928 0.000) 9.132 6.565 ( 2.487 4.174 0.000) 4.859 6.791 ( 1.829 -3.867 0.000) 4.278 6.922 ( -5.046 -11.115 0.000) 12.207 6.994 ( 3.707 -4.324 0.000) 5.695 7.081 ( -2.038 -9.237 0.000) 9.459 7.427 ( -2.534 -9.683 0.000) 10.009 7.533 ( -7.252 9.808 0.000) 12.197 7.764 ( -5.782 3.229 0.000) 6.623 7.998 ( -10.938 -1.542 0.000) 11.046 8.493 ( -0.590 -12.902 0.000) 12.916 8.783 ( 2.112 5.606 0.000) 5.990 9.006 ( 9.278 2.378 0.000) 9.578 9.104 ( 6.239 3.430 0.000) 7.120 9.534 ( 2.237 -1.485 0.000) 2.685 9.945 ( 8.889 -1.558 0.000) 9.025 10.214 ( 4.874 -5.813 0.000) 7.585 10.927 ( -2.553 -1.508 0.000) 2.966 10.992 ( -3.732 1.493 0.000) 4.019 11.443 ( -0.897 -3.612 0.000) 3.722 11.469 ( 2.886 -1.746 0.000) 3.373 11.848 ( -10.559 5.646 0.000) 11.974 12.146 ( -8.362 2.243 0.000) 8.657 12.423 ( 0.213 -5.872 0.000) 5.875 12.492 ( -1.082 -2.139 0.000) 2.397 12.858 ( -0.802 -1.645 0.000) 1.831 13.077 ( 4.900 -6.717 0.000) 8.315 13.237 ( -1.410 -8.920 0.000) 9.031 13.397 ( 0.875 -3.607 0.000) 3.711 13.607 ( 0.620 7.025 0.000) 7.052 14.076 ( -1.724 -3.957 0.000) 4.316 19.877 ( 6.697 3.098 0.000) 7.378 19.997 ( 4.816 1.252 0.000) 4.976 20.154 ( 7.816 1.126 0.000) 7.896 20.198 ( 4.645 -0.858 0.000) 4.724 20.573 ( -1.283 2.254 0.000) 2.593 20.679 ( 1.880 0.605 0.000) 1.975 20.795 ( -4.279 8.338 0.000) 9.372 20.991 ( -2.126 -1.139 0.000) 2.412 21.132 ( -0.460 -0.835 0.000) 0.954 21.363 ( -5.055 -4.125 0.000) 6.524 21.810 ( -1.521 4.444 0.000) 4.697 22.123 ( -4.708 -1.403 0.000) 4.913 22.331 ( -3.630 9.576 0.000) 10.241 22.676 ( -2.914 10.072 0.000) 10.485 23.079 ( 7.391 -11.946 0.000) 14.048 23.414 ( 0.531 -9.825 0.000) 9.839 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 13.510 10.561 0.000) 17.148 1.923 ( 11.631 14.093 0.000) 18.273 2.150 ( 5.629 1.767 0.000) 5.900 2.199 ( 3.263 4.333 0.000) 5.424 2.440 ( 2.521 1.076 0.000) 2.741 2.499 ( -2.123 -0.991 0.000) 2.342 2.582 ( 2.691 -0.398 0.000) 2.720 2.590 ( -3.508 1.510 0.000) 3.819 2.658 ( 2.721 6.983 0.000) 7.494 2.821 ( -1.483 4.277 0.000) 4.527 2.934 ( 4.295 3.929 0.000) 5.821 2.950 ( -3.291 7.234 0.000) 7.947 2.997 ( -3.016 2.346 0.000) 3.821 3.315 ( -3.610 1.657 0.000) 3.972 3.480 ( -1.180 -0.089 0.000) 1.183 3.499 ( 0.576 -2.099 0.000) 2.176 3.630 ( 10.752 5.881 0.000) 12.255 3.750 ( 11.083 6.947 0.000) 13.080 3.910 ( 6.040 -0.362 0.000) 6.050 4.096 ( 6.583 -0.541 0.000) 6.605 4.168 ( 5.449 4.509 0.000) 7.073 4.449 ( -2.011 -2.738 0.000) 3.397 4.530 ( 0.371 0.212 0.000) 0.427 4.580 ( -3.070 6.884 0.000) 7.538 4.828 ( 13.223 11.339 0.000) 17.420 4.952 ( 6.546 7.513 0.000) 9.965 5.114 ( 7.438 -2.575 0.000) 7.871 5.289 ( 7.463 -3.916 0.000) 8.428 5.537 ( 12.249 3.910 0.000) 12.858 5.608 ( 7.652 4.549 0.000) 8.902 5.652 ( 0.303 5.871 0.000) 5.879 5.884 ( 2.856 0.983 0.000) 3.021 5.996 ( 8.137 -1.699 0.000) 8.313 6.102 ( -0.357 8.759 0.000) 8.766 6.274 ( 5.744 1.049 0.000) 5.839 6.333 ( -0.257 -2.966 0.000) 2.977 6.439 ( 0.706 -2.753 0.000) 2.842 6.605 ( 1.914 3.969 0.000) 4.407 6.700 ( 11.971 0.012 0.000) 11.972 6.855 ( 4.196 -2.885 0.000) 5.093 6.931 ( 7.034 -1.983 0.000) 7.309 7.046 ( 2.947 -4.240 0.000) 5.163 7.232 ( 12.721 -9.802 0.000) 16.060 7.367 ( -5.723 -2.157 0.000) 6.116 7.376 ( -7.153 0.983 0.000) 7.220 7.653 ( -5.806 3.478 0.000) 6.768 7.786 ( -9.080 -2.468 0.000) 9.410 8.346 ( -13.383 -14.124 0.000) 19.458 8.875 ( 6.940 7.762 0.000) 10.412 9.113 ( 1.249 -0.606 0.000) 1.388 9.210 ( 4.928 12.295 0.000) 13.246 9.538 ( -2.034 3.357 0.000) 3.925 10.168 ( 13.536 -0.688 0.000) 13.554 10.341 ( 8.448 -2.119 0.000) 8.710 10.833 ( -6.753 -1.022 0.000) 6.830 10.914 ( -5.934 -4.663 0.000) 7.547 11.387 ( -2.551 -0.938 0.000) 2.718 11.493 ( -1.135 -6.089 0.000) 6.194 11.756 ( 0.076 5.249 0.000) 5.249 11.993 ( -7.251 3.497 0.000) 8.050 12.444 ( 1.661 -6.788 0.000) 6.988 12.480 ( -0.266 -4.068 0.000) 4.077 12.863 ( 1.542 -2.820 0.000) 3.214 13.154 ( -2.632 -12.211 0.000) 12.491 13.203 ( 3.292 -5.369 0.000) 6.298 13.384 ( -1.324 -6.256 0.000) 6.395 13.684 ( 6.079 7.716 0.000) 9.822 14.017 ( -4.141 -1.601 0.000) 4.440 20.023 ( 8.086 2.869 0.000) 8.580 20.102 ( 6.094 2.504 0.000) 6.588 20.259 ( 2.729 1.440 0.000) 3.086 20.283 ( 3.885 0.370 0.000) 3.902 20.569 ( 0.665 0.851 0.000) 1.080 20.681 ( -1.554 -0.482 0.000) 1.626 20.710 ( -4.701 4.803 0.000) 6.721 20.925 ( -4.822 -2.156 0.000) 5.282 21.174 ( 5.162 -0.715 0.000) 5.211 21.327 ( 2.051 -2.197 0.000) 3.005 21.717 ( -7.568 5.242 0.000) 9.206 21.920 ( -13.729 2.010 0.000) 13.876 22.358 ( 4.199 10.095 0.000) 10.934 22.618 ( -3.335 12.051 0.000) 12.504 23.220 ( 6.908 -13.387 0.000) 15.064 23.421 ( -0.086 -10.956 0.000) 10.956 ======================= Grid point 22 (15/60) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 5.322 9.735 0.000) 11.094 2.077 ( 3.379 6.490 0.000) 7.317 2.253 ( 4.113 5.720 0.000) 7.045 2.272 ( 2.985 5.282 0.000) 6.067 2.456 ( -0.880 1.623 0.000) 1.846 2.490 ( -3.827 2.911 0.000) 4.808 2.520 ( 4.176 1.556 0.000) 4.457 2.595 ( -1.862 3.038 0.000) 3.563 2.717 ( 2.360 9.305 0.000) 9.599 2.767 ( -2.983 6.815 0.000) 7.439 2.903 ( -0.900 2.813 0.000) 2.953 2.929 ( -3.005 1.208 0.000) 3.239 3.036 ( 6.802 0.387 0.000) 6.813 3.188 ( -8.298 0.167 0.000) 8.300 3.460 ( -0.230 -1.825 0.000) 1.840 3.475 ( -1.520 -3.147 0.000) 3.495 3.875 ( 10.579 5.841 0.000) 12.085 3.964 ( 1.774 2.466 0.000) 3.038 4.011 ( 11.945 5.192 0.000) 13.025 4.205 ( 2.653 0.649 0.000) 2.732 4.260 ( 0.822 5.386 0.000) 5.448 4.310 ( -8.144 0.950 0.000) 8.199 4.482 ( -2.402 -0.244 0.000) 2.414 4.511 ( -3.053 0.454 0.000) 3.087 5.031 ( 7.474 12.846 0.000) 14.862 5.079 ( 3.167 10.297 0.000) 10.773 5.249 ( 7.043 -0.975 0.000) 7.110 5.347 ( -1.765 -2.816 0.000) 3.323 5.622 ( 0.432 8.491 0.000) 8.502 5.657 ( -2.215 7.111 0.000) 7.448 5.775 ( 9.555 -0.613 0.000) 9.574 5.890 ( -2.338 -0.630 0.000) 2.421 6.094 ( 3.577 2.833 0.000) 4.563 6.141 ( 0.908 0.683 0.000) 1.137 6.267 ( -0.456 -0.185 0.000) 0.492 6.302 ( -2.536 -2.875 0.000) 3.834 6.593 ( 9.141 -2.985 0.000) 9.616 6.672 ( 3.057 -1.034 0.000) 3.227 6.858 ( 4.233 -0.215 0.000) 4.239 6.959 ( 6.008 -3.579 0.000) 6.993 7.023 ( -4.369 -2.480 0.000) 5.023 7.058 ( 3.385 -2.836 0.000) 4.416 7.209 ( -3.320 -0.441 0.000) 3.349 7.293 ( -7.006 -3.152 0.000) 7.682 7.506 ( 9.961 -0.566 0.000) 9.977 7.561 ( -0.444 1.734 0.000) 1.790 7.736 ( 6.093 -2.857 0.000) 6.730 8.029 ( -18.638 -9.256 0.000) 20.810 9.005 ( 5.704 3.221 0.000) 6.550 9.086 ( -3.059 0.069 0.000) 3.060 9.313 ( 6.426 13.793 0.000) 15.216 9.450 ( -6.809 8.683 0.000) 11.035 10.427 ( 12.959 3.425 0.000) 13.404 10.534 ( 10.626 -3.427 0.000) 11.165 10.668 ( -9.907 0.367 0.000) 9.913 10.757 ( -10.019 -7.284 0.000) 12.387 11.385 ( 2.125 -4.246 0.000) 4.748 11.444 ( -3.388 -5.953 0.000) 6.849 11.796 ( 3.331 5.095 0.000) 6.087 11.875 ( -5.024 4.393 0.000) 6.674 12.470 ( 0.915 -5.682 0.000) 5.755 12.479 ( -0.069 -5.268 0.000) 5.269 12.926 ( 5.060 -5.965 0.000) 7.822 13.043 ( -6.698 -8.753 0.000) 11.022 13.294 ( 4.215 -7.559 0.000) 8.655 13.354 ( -2.094 -6.967 0.000) 7.274 13.809 ( 6.504 4.273 0.000) 7.782 13.924 ( -5.493 0.969 0.000) 5.577 20.167 ( 6.374 3.557 0.000) 7.299 20.215 ( 4.000 4.596 0.000) 6.093 20.275 ( 0.037 1.588 0.000) 1.588 20.317 ( -0.938 2.050 0.000) 2.255 20.555 ( -0.736 1.904 0.000) 2.042 20.605 ( -4.931 -1.097 0.000) 5.051 20.714 ( 4.523 -4.353 0.000) 6.277 20.819 ( -5.838 -4.778 0.000) 7.544 21.321 ( 9.537 2.877 0.000) 9.961 21.424 ( 5.787 3.148 0.000) 6.587 21.551 ( -7.648 2.321 0.000) 7.993 21.660 ( -12.461 2.353 0.000) 12.682 22.451 ( 5.160 11.842 0.000) 12.917 22.544 ( -4.396 12.647 0.000) 13.389 23.334 ( 4.838 -12.999 0.000) 13.870 23.401 ( -2.199 -12.036 0.000) 12.235 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.000 21.706 0.000) 21.706 1.654 ( 0.000 24.385 0.000) 24.385 1.817 ( 0.000 -17.483 0.000) 17.483 2.069 ( 0.000 -16.285 0.000) 16.285 2.307 ( 0.000 1.216 0.000) 1.216 2.329 ( 0.000 -0.196 0.000) 0.196 2.494 ( 0.000 3.076 0.000) 3.076 2.531 ( 0.000 0.354 0.000) 0.354 2.673 ( 0.000 -0.320 0.000) 0.320 2.679 ( 0.000 -0.623 0.000) 0.623 2.880 ( 0.000 23.055 0.000) 23.055 3.117 ( 0.000 0.240 0.000) 0.240 3.212 ( 0.000 4.481 0.000) 4.481 3.305 ( 0.000 -8.069 0.000) 8.069 3.389 ( 0.000 1.118 0.000) 1.118 3.411 ( 0.000 -0.976 0.000) 0.976 3.532 ( 0.000 8.085 0.000) 8.085 3.666 ( 0.000 -0.267 0.000) 0.267 3.835 ( 0.000 3.920 0.000) 3.920 3.934 ( 0.000 -0.260 0.000) 0.260 4.114 ( 0.000 0.039 0.000) 0.039 4.138 ( 0.000 -11.151 0.000) 11.151 4.171 ( 0.000 11.888 0.000) 11.888 4.408 ( 0.000 -10.787 0.000) 10.787 4.449 ( 0.000 12.218 0.000) 12.218 4.619 ( 0.000 -5.073 0.000) 5.073 4.882 ( 0.000 12.932 0.000) 12.932 5.075 ( 0.000 -7.492 0.000) 7.492 5.126 ( 0.000 6.811 0.000) 6.811 5.203 ( 0.000 8.631 0.000) 8.631 5.249 ( 0.000 -3.529 0.000) 3.529 5.433 ( 0.000 -14.169 0.000) 14.169 5.900 ( 0.000 1.993 0.000) 1.993 5.913 ( 0.000 1.556 0.000) 1.556 6.191 ( 0.000 0.664 0.000) 0.664 6.207 ( 0.000 0.750 0.000) 0.750 6.302 ( 0.000 4.325 0.000) 4.325 6.383 ( 0.000 -1.053 0.000) 1.053 6.516 ( 0.000 -1.863 0.000) 1.863 6.540 ( 0.000 -6.927 0.000) 6.927 7.084 ( 0.000 9.737 0.000) 9.737 7.108 ( 0.000 2.308 0.000) 2.308 7.228 ( 0.000 -8.660 0.000) 8.660 7.300 ( 0.000 -12.217 0.000) 12.217 7.899 ( 0.000 10.959 0.000) 10.959 8.069 ( 0.000 -3.757 0.000) 3.757 8.093 ( 0.000 4.527 0.000) 4.527 8.196 ( 0.000 -7.163 0.000) 7.163 8.678 ( 0.000 8.954 0.000) 8.954 8.790 ( 0.000 -0.561 0.000) 0.561 9.086 ( 0.000 -5.338 0.000) 5.338 9.086 ( 0.000 -6.273 0.000) 6.273 9.862 ( 0.000 1.964 0.000) 1.964 9.944 ( 0.000 -7.120 0.000) 7.120 11.008 ( 0.000 5.875 0.000) 5.875 11.131 ( 0.000 -5.496 0.000) 5.496 11.333 ( 0.000 0.696 0.000) 0.696 11.340 ( 0.000 -0.757 0.000) 0.757 12.327 ( 0.000 3.530 0.000) 3.530 12.375 ( 0.000 -1.056 0.000) 1.056 12.431 ( 0.000 1.505 0.000) 1.505 12.517 ( 0.000 -6.693 0.000) 6.693 12.799 ( 0.000 4.533 0.000) 4.533 12.947 ( 0.000 -9.653 0.000) 9.653 13.231 ( 0.000 7.658 0.000) 7.658 13.328 ( 0.000 -1.045 0.000) 1.045 13.765 ( 0.000 0.707 0.000) 0.707 13.849 ( 0.000 -6.693 0.000) 6.693 19.817 ( 0.000 3.469 0.000) 3.469 19.873 ( 0.000 -1.948 0.000) 1.948 19.997 ( 0.000 2.935 0.000) 2.935 20.041 ( 0.000 -1.569 0.000) 1.569 20.610 ( 0.000 0.554 0.000) 0.554 20.616 ( 0.000 0.003 0.000) 0.003 20.988 ( 0.000 0.299 0.000) 0.299 20.999 ( 0.000 -0.896 0.000) 0.896 21.365 ( 0.000 5.449 0.000) 5.449 21.454 ( 0.000 -3.381 0.000) 3.381 21.804 ( 0.000 8.764 0.000) 8.764 21.967 ( 0.000 -7.349 0.000) 7.349 22.657 ( 0.000 4.761 0.000) 4.761 22.763 ( 0.000 -6.045 0.000) 6.045 22.964 ( 0.000 12.522 0.000) 12.522 23.208 ( 0.000 -11.629 0.000) 11.629 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 13.624 16.524 0.000) 21.417 1.730 ( 7.494 20.983 0.000) 22.281 1.880 ( 5.835 -12.865 0.000) 14.126 2.091 ( 2.246 -12.463 0.000) 12.663 2.317 ( 1.312 1.068 0.000) 1.692 2.367 ( 3.373 -2.890 0.000) 4.442 2.531 ( 2.518 2.878 0.000) 3.823 2.557 ( 3.011 1.552 0.000) 3.387 2.679 ( 0.668 -0.236 0.000) 0.709 2.708 ( 3.013 -2.045 0.000) 3.641 2.931 ( 5.305 21.057 0.000) 21.715 3.132 ( 0.673 1.325 0.000) 1.487 3.204 ( -0.630 4.266 0.000) 4.313 3.302 ( 0.062 -7.988 0.000) 7.989 3.408 ( 1.340 1.048 0.000) 1.701 3.435 ( 2.076 -1.205 0.000) 2.400 3.537 ( 0.789 8.949 0.000) 8.983 3.679 ( 1.432 -1.518 0.000) 2.087 3.863 ( 2.144 5.238 0.000) 5.660 3.939 ( 1.581 2.639 0.000) 3.076 4.107 ( -0.039 -0.812 0.000) 0.813 4.179 ( 3.368 -12.383 0.000) 12.833 4.301 ( 12.100 10.701 0.000) 16.153 4.468 ( 3.972 6.367 0.000) 7.505 4.522 ( 10.145 -5.063 0.000) 11.338 4.646 ( 2.898 -4.751 0.000) 5.565 4.897 ( 2.311 10.684 0.000) 10.931 5.067 ( 0.054 -6.515 0.000) 6.515 5.225 ( 8.919 5.616 0.000) 10.540 5.292 ( 9.193 5.341 0.000) 10.632 5.347 ( 8.629 0.605 0.000) 8.650 5.514 ( 7.631 -11.335 0.000) 13.665 5.938 ( 3.986 2.116 0.000) 4.513 5.955 ( 3.854 0.120 0.000) 3.856 6.255 ( 4.820 4.958 0.000) 6.915 6.270 ( 7.499 0.708 0.000) 7.532 6.342 ( 3.449 2.003 0.000) 3.989 6.426 ( 2.664 -2.485 0.000) 3.643 6.528 ( 2.983 0.742 0.000) 3.074 6.577 ( 3.610 -6.076 0.000) 7.067 6.984 ( -10.724 0.532 0.000) 10.737 7.038 ( -4.549 7.438 0.000) 8.719 7.118 ( -10.007 -6.229 0.000) 11.787 7.262 ( -2.415 -10.735 0.000) 11.004 7.855 ( -4.568 10.266 0.000) 11.236 7.957 ( -6.259 2.642 0.000) 6.794 8.112 ( -4.049 -1.741 0.000) 4.407 8.219 ( 0.415 -10.973 0.000) 10.980 8.775 ( 8.680 6.636 0.000) 10.926 8.851 ( 6.640 -0.710 0.000) 6.678 9.080 ( 4.608 4.091 0.000) 6.162 9.233 ( 9.459 -10.547 0.000) 14.167 9.881 ( 2.332 2.841 0.000) 3.675 9.976 ( 3.541 -7.151 0.000) 7.980 10.992 ( -1.688 5.453 0.000) 5.709 11.109 ( -2.959 -4.336 0.000) 5.249 11.331 ( 1.076 0.695 0.000) 1.281 11.378 ( 2.239 -2.686 0.000) 3.496 12.236 ( -10.757 5.474 0.000) 12.070 12.302 ( -5.873 -0.079 0.000) 5.874 12.385 ( -3.176 -0.483 0.000) 3.213 12.457 ( -3.473 -6.049 0.000) 6.975 12.838 ( 2.618 4.010 0.000) 4.789 12.977 ( 1.262 -8.894 0.000) 8.983 13.174 ( -3.263 6.865 0.000) 7.601 13.315 ( -2.061 -5.635 0.000) 6.000 13.751 ( 0.639 7.019 0.000) 7.048 13.914 ( 3.871 -8.546 0.000) 9.382 19.852 ( 3.552 3.645 0.000) 5.089 19.909 ( 3.539 -1.891 0.000) 4.012 20.049 ( 5.051 2.162 0.000) 5.495 20.085 ( 4.206 -1.455 0.000) 4.450 20.622 ( 0.866 1.179 0.000) 1.463 20.637 ( 2.082 -0.253 0.000) 2.098 20.960 ( -2.296 1.646 0.000) 2.825 20.987 ( -1.109 -1.346 0.000) 1.744 21.278 ( -6.948 5.744 0.000) 9.015 21.385 ( -6.578 -5.045 0.000) 8.290 21.882 ( 5.758 7.762 0.000) 9.665 22.024 ( 4.595 -6.057 0.000) 7.603 22.603 ( -4.847 6.606 0.000) 8.193 22.740 ( -1.738 -7.015 0.000) 7.227 22.980 ( 1.269 10.919 0.000) 10.992 23.208 ( -0.044 -11.225 0.000) 11.225 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 14.298 11.693 0.000) 18.470 1.914 ( 11.119 11.783 0.000) 16.201 2.015 ( 7.944 -3.957 0.000) 8.875 2.152 ( 3.847 -6.659 0.000) 7.691 2.353 ( 2.242 0.106 0.000) 2.244 2.427 ( 2.543 -5.367 0.000) 5.939 2.552 ( 0.015 3.187 0.000) 3.187 2.613 ( 0.425 -2.239 0.000) 2.279 2.712 ( 4.207 5.133 0.000) 6.637 2.795 ( 5.233 -2.422 0.000) 5.766 3.033 ( 2.597 11.245 0.000) 11.541 3.111 ( -2.819 2.520 0.000) 3.781 3.194 ( -0.693 6.442 0.000) 6.480 3.324 ( 0.514 -5.319 0.000) 5.344 3.430 ( 2.377 -0.114 0.000) 2.380 3.455 ( 0.262 -1.683 0.000) 1.703 3.602 ( 6.378 8.315 0.000) 10.479 3.724 ( 3.376 -1.645 0.000) 3.756 3.902 ( 2.650 10.280 0.000) 10.616 4.009 ( 5.427 2.813 0.000) 6.113 4.124 ( 2.003 -0.579 0.000) 2.085 4.234 ( 1.847 -14.601 0.000) 14.717 4.536 ( 8.486 8.692 0.000) 12.148 4.619 ( 11.491 4.913 0.000) 12.497 4.735 ( 7.416 -1.166 0.000) 7.507 4.778 ( 14.641 -5.196 0.000) 15.536 4.984 ( 6.483 6.128 0.000) 8.920 5.093 ( 3.617 -4.254 0.000) 5.584 5.427 ( 11.161 6.493 0.000) 12.913 5.514 ( 12.397 4.775 0.000) 13.285 5.540 ( 10.816 0.352 0.000) 10.822 5.687 ( 9.560 -8.050 0.000) 12.498 6.009 ( 2.331 3.803 0.000) 4.461 6.063 ( 7.160 -2.145 0.000) 7.475 6.326 ( 1.513 8.777 0.000) 8.906 6.359 ( -0.764 4.171 0.000) 4.241 6.435 ( 2.508 -2.602 0.000) 3.614 6.482 ( 6.108 -2.618 0.000) 6.645 6.667 ( 9.818 -2.126 0.000) 10.046 6.683 ( 8.098 -0.287 0.000) 8.103 6.780 ( -8.205 0.719 0.000) 8.236 6.919 ( -3.308 -8.238 0.000) 8.878 7.022 ( 0.605 7.419 0.000) 7.444 7.216 ( -2.267 -10.939 0.000) 11.172 7.724 ( -9.294 8.505 0.000) 12.598 7.835 ( -7.606 0.233 0.000) 7.610 7.961 ( -9.066 2.754 0.000) 9.475 8.179 ( -4.191 -15.596 0.000) 16.149 8.921 ( 5.888 6.374 0.000) 8.678 9.007 ( 6.820 -2.122 0.000) 7.142 9.242 ( 11.172 8.753 0.000) 14.192 9.420 ( 9.219 -8.638 0.000) 12.633 9.972 ( 7.641 4.121 0.000) 8.681 10.085 ( 7.949 -6.725 0.000) 10.412 10.938 ( -4.152 3.082 0.000) 5.171 11.007 ( -7.405 -1.875 0.000) 7.638 11.359 ( 1.244 -1.451 0.000) 1.912 11.403 ( -0.161 -4.166 0.000) 4.169 12.023 ( -9.102 9.646 0.000) 13.262 12.163 ( -7.626 -2.633 0.000) 8.068 12.340 ( -1.277 -0.491 0.000) 1.368 12.410 ( -1.971 -5.476 0.000) 5.820 12.863 ( -0.186 2.984 0.000) 2.989 12.970 ( -1.086 -6.652 0.000) 6.740 13.149 ( 0.045 2.807 0.000) 2.808 13.272 ( -1.768 -7.661 0.000) 7.863 13.786 ( 2.473 9.533 0.000) 9.848 13.959 ( 0.826 -7.618 0.000) 7.663 19.948 ( 6.311 3.528 0.000) 7.230 19.999 ( 5.729 -1.306 0.000) 5.876 20.167 ( 6.633 0.532 0.000) 6.654 20.181 ( 5.260 -0.823 0.000) 5.324 20.627 ( -0.669 2.859 0.000) 2.936 20.672 ( 0.764 -1.399 0.000) 1.594 20.916 ( -2.814 3.784 0.000) 4.716 20.964 ( -1.742 -1.625 0.000) 2.382 21.158 ( -3.940 3.563 0.000) 5.312 21.256 ( -4.999 -5.792 0.000) 7.651 21.940 ( -1.041 7.362 0.000) 7.435 22.065 ( -2.397 -4.748 0.000) 5.319 22.529 ( -1.020 10.404 0.000) 10.454 22.729 ( 1.153 -8.010 0.000) 8.092 23.003 ( 1.205 7.588 0.000) 7.683 23.206 ( -0.169 -10.944 0.000) 10.945 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 8.784 9.944 0.000) 13.268 2.130 ( 8.512 5.900 0.000) 10.357 2.177 ( 9.135 0.255 0.000) 9.139 2.228 ( 4.790 -2.986 0.000) 5.645 2.408 ( 3.715 -0.469 0.000) 3.745 2.466 ( 1.253 -3.914 0.000) 4.110 2.555 ( 0.693 1.005 0.000) 1.220 2.588 ( -1.446 -1.571 0.000) 2.136 2.819 ( 5.818 6.247 0.000) 8.537 2.871 ( 2.045 0.489 0.000) 2.103 3.025 ( -2.084 2.886 0.000) 3.560 3.040 ( -3.553 2.276 0.000) 4.220 3.130 ( -5.375 9.476 0.000) 10.894 3.282 ( -4.949 -5.073 0.000) 7.087 3.443 ( -1.227 -1.422 0.000) 1.878 3.463 ( -1.641 -2.173 0.000) 2.723 3.785 ( 12.170 6.592 0.000) 13.841 3.845 ( 9.766 0.866 0.000) 9.805 3.982 ( 4.998 9.593 0.000) 10.817 4.130 ( 6.002 4.153 0.000) 7.299 4.189 ( 5.297 -3.505 0.000) 6.352 4.254 ( 0.706 -11.970 0.000) 11.991 4.613 ( -0.484 5.111 0.000) 5.134 4.670 ( -4.994 0.586 0.000) 5.028 4.982 ( 14.494 4.317 0.000) 15.123 5.037 ( 11.823 -1.148 0.000) 11.878 5.134 ( 8.660 5.614 0.000) 10.320 5.223 ( 7.970 -3.205 0.000) 8.590 5.628 ( 9.672 5.754 0.000) 11.254 5.711 ( 6.303 -1.198 0.000) 6.415 5.719 ( 7.497 6.245 0.000) 9.757 5.837 ( 4.891 -5.064 0.000) 7.041 6.052 ( 3.540 5.104 0.000) 6.212 6.152 ( -0.397 -5.343 0.000) 5.358 6.308 ( -1.818 6.849 0.000) 7.087 6.359 ( 1.795 3.783 0.000) 4.187 6.429 ( 0.105 0.332 0.000) 0.349 6.550 ( 1.169 -7.660 0.000) 7.748 6.730 ( 5.452 1.534 0.000) 5.664 6.775 ( 3.666 -3.754 0.000) 5.247 6.929 ( 9.120 1.941 0.000) 9.324 6.983 ( 4.372 -2.548 0.000) 5.061 7.132 ( 11.865 0.120 0.000) 11.865 7.212 ( 4.261 -7.090 0.000) 8.272 7.504 ( -12.675 6.500 0.000) 14.245 7.627 ( -12.100 -5.457 0.000) 13.274 7.850 ( -3.545 8.535 0.000) 9.242 8.069 ( -7.590 -13.098 0.000) 15.139 9.006 ( 3.563 5.376 0.000) 6.450 9.081 ( 1.557 -2.292 0.000) 2.771 9.434 ( 7.441 8.803 0.000) 11.526 9.550 ( 3.774 -2.747 0.000) 4.668 10.173 ( 12.769 3.118 0.000) 13.144 10.274 ( 11.143 -5.439 0.000) 12.399 10.824 ( -7.729 0.673 0.000) 7.759 10.850 ( -8.475 -1.862 0.000) 8.677 11.365 ( -1.055 -1.381 0.000) 1.738 11.378 ( -1.049 -3.666 0.000) 3.813 11.914 ( -2.870 8.973 0.000) 9.420 12.030 ( -6.128 -1.287 0.000) 6.262 12.341 ( 1.264 -2.169 0.000) 2.510 12.381 ( -0.879 -5.008 0.000) 5.084 12.848 ( -0.857 1.648 0.000) 1.858 12.943 ( -2.218 -8.047 0.000) 8.347 13.165 ( 1.762 1.644 0.000) 2.410 13.252 ( -0.580 -6.344 0.000) 6.371 13.836 ( 2.614 7.118 0.000) 7.582 13.954 ( -1.070 -4.700 0.000) 4.820 20.085 ( 7.772 3.022 0.000) 8.339 20.125 ( 7.255 -0.547 0.000) 7.275 20.271 ( 3.925 0.374 0.000) 3.943 20.282 ( 4.835 -0.457 0.000) 4.856 20.602 ( -1.386 2.435 0.000) 2.802 20.651 ( -2.683 -2.254 0.000) 3.504 20.807 ( -8.296 4.192 0.000) 9.295 20.875 ( -7.360 -2.851 0.000) 7.893 21.195 ( 7.280 2.662 0.000) 7.752 21.264 ( 5.872 -3.806 0.000) 6.998 21.835 ( -9.150 5.854 0.000) 10.863 21.920 ( -11.421 -2.224 0.000) 11.636 22.581 ( 5.298 11.936 0.000) 13.059 22.769 ( 1.812 -2.130 0.000) 2.797 23.035 ( 2.398 0.370 0.000) 2.426 23.197 ( -1.018 -11.236 0.000) 11.282 ======================= Grid point 31 (20/60) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 2.450 4.447 0.000) 5.077 2.198 ( 0.815 3.568 0.000) 3.660 2.323 ( 4.941 1.752 0.000) 5.243 2.337 ( 3.716 0.949 0.000) 3.835 2.476 ( 1.353 0.496 0.000) 1.441 2.494 ( 2.269 -1.682 0.000) 2.824 2.550 ( 1.071 2.459 0.000) 2.682 2.596 ( -0.269 -1.876 0.000) 1.896 2.881 ( 0.231 2.920 0.000) 2.929 2.893 ( 0.365 2.975 0.000) 2.997 2.975 ( 0.401 5.376 0.000) 5.391 3.026 ( -3.537 6.267 0.000) 7.196 3.054 ( 2.520 2.866 0.000) 3.816 3.159 ( -6.953 -2.985 0.000) 7.566 3.405 ( -1.535 -2.838 0.000) 3.226 3.414 ( -2.202 -2.998 0.000) 3.720 3.993 ( 7.282 4.473 0.000) 8.546 4.049 ( 1.516 5.053 0.000) 5.275 4.055 ( 10.341 0.472 0.000) 10.352 4.181 ( -1.572 -4.072 0.000) 4.365 4.288 ( 4.217 0.691 0.000) 4.274 4.321 ( 5.785 -0.440 0.000) 5.802 4.517 ( -7.912 2.816 0.000) 8.398 4.538 ( -6.123 0.783 0.000) 6.173 5.203 ( 6.996 3.463 0.000) 7.806 5.223 ( 7.526 2.864 0.000) 8.052 5.255 ( 3.008 2.799 0.000) 4.108 5.312 ( 0.432 -1.568 0.000) 1.627 5.769 ( 2.410 3.639 0.000) 4.364 5.770 ( 0.873 5.713 0.000) 5.779 5.806 ( 4.349 2.469 0.000) 5.001 5.868 ( -1.209 -2.095 0.000) 2.419 6.124 ( 2.621 0.522 0.000) 2.673 6.139 ( 0.699 -1.313 0.000) 1.487 6.280 ( -1.082 2.629 0.000) 2.843 6.302 ( -3.457 0.830 0.000) 3.555 6.552 ( 7.904 0.307 0.000) 7.910 6.611 ( 2.644 -4.403 0.000) 5.136 6.840 ( 4.231 -1.486 0.000) 4.484 6.860 ( 4.599 -4.284 0.000) 6.285 6.982 ( -0.485 -1.049 0.000) 1.155 7.000 ( -0.835 -2.319 0.000) 2.465 7.217 ( -6.320 1.059 0.000) 6.408 7.245 ( -5.974 -1.727 0.000) 6.218 7.507 ( 14.267 1.375 0.000) 14.333 7.549 ( 7.442 -2.093 0.000) 7.731 7.767 ( -5.239 4.138 0.000) 6.676 7.872 ( -12.802 -6.565 0.000) 14.387 9.067 ( 2.526 2.571 0.000) 3.604 9.092 ( -0.182 -0.017 0.000) 0.183 9.523 ( 2.782 6.710 0.000) 7.264 9.566 ( -1.485 2.304 0.000) 2.741 10.425 ( 12.507 -0.145 0.000) 12.508 10.478 ( 9.000 -4.012 0.000) 9.853 10.672 ( -7.585 -0.138 0.000) 7.587 10.677 ( -9.475 -0.644 0.000) 9.497 11.348 ( 0.092 -0.178 0.000) 0.200 11.363 ( -1.043 -1.881 0.000) 2.151 11.892 ( 0.423 4.062 0.000) 4.084 11.933 ( -3.830 0.552 0.000) 3.870 12.370 ( 1.233 -3.034 0.000) 3.275 12.378 ( 0.212 -3.667 0.000) 3.673 12.845 ( 0.905 -1.587 0.000) 1.827 12.887 ( -3.133 -5.833 0.000) 6.621 13.208 ( 2.248 -1.132 0.000) 2.517 13.239 ( -0.991 -4.036 0.000) 4.156 13.884 ( 2.388 3.107 0.000) 3.919 13.925 ( -1.880 -0.988 0.000) 2.124 20.230 ( 6.702 2.644 0.000) 7.205 20.263 ( 6.555 -0.298 0.000) 6.562 20.310 ( -0.851 2.131 0.000) 2.294 20.334 ( 0.058 -0.197 0.000) 0.205 20.590 ( -1.209 0.413 0.000) 1.277 20.600 ( -0.841 0.412 0.000) 0.936 20.664 ( -3.603 0.685 0.000) 3.668 20.728 ( -6.959 -4.317 0.000) 8.189 21.385 ( 11.756 3.342 0.000) 12.222 21.437 ( 11.278 -1.489 0.000) 11.375 21.623 ( -12.291 4.044 0.000) 12.940 21.677 ( -13.110 -0.956 0.000) 13.144 22.689 ( 5.329 11.254 0.000) 12.452 22.766 ( -2.290 7.197 0.000) 7.553 23.097 ( 3.772 -8.077 0.000) 8.914 23.162 ( -2.694 -11.034 0.000) 11.358 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.000 0.000 29.155) 29.155 0.661 ( 0.000 0.000 30.428) 30.428 1.190 ( 0.000 0.000 55.519) 55.519 1.944 ( 0.000 0.000 3.083) 3.083 2.135 ( 0.000 0.000 -15.885) 15.885 2.158 ( 0.000 0.000 -15.278) 15.278 2.331 ( 0.000 0.000 -3.504) 3.504 2.591 ( 0.000 0.000 5.236) 5.236 2.624 ( 0.000 0.000 2.231) 2.231 2.771 ( 0.000 0.000 4.948) 4.948 2.779 ( 0.000 0.000 0.517) 0.517 2.866 ( 0.000 0.000 3.525) 3.525 3.081 ( 0.000 0.000 1.580) 1.580 3.268 ( 0.000 0.000 1.351) 1.351 3.318 ( 0.000 0.000 -7.679) 7.679 3.367 ( 0.000 0.000 1.478) 1.478 3.384 ( 0.000 0.000 -0.786) 0.786 3.535 ( 0.000 0.000 -1.528) 1.528 3.806 ( 0.000 0.000 -3.286) 3.286 3.834 ( 0.000 0.000 6.460) 6.460 3.905 ( 0.000 0.000 -0.162) 0.162 3.920 ( 0.000 0.000 0.420) 0.420 4.030 ( 0.000 0.000 4.309) 4.309 4.051 ( 0.000 0.000 7.476) 7.476 4.617 ( 0.000 0.000 -8.148) 8.148 4.772 ( 0.000 0.000 1.143) 1.143 4.815 ( 0.000 0.000 3.489) 3.489 4.836 ( 0.000 0.000 -1.360) 1.360 4.947 ( 0.000 0.000 8.738) 8.738 5.157 ( 0.000 0.000 8.527) 8.527 5.403 ( 0.000 0.000 -3.166) 3.166 5.585 ( 0.000 0.000 2.621) 2.621 5.590 ( 0.000 0.000 -5.037) 5.037 5.850 ( 0.000 0.000 -1.439) 1.439 5.953 ( 0.000 0.000 -8.999) 8.999 6.076 ( 0.000 0.000 1.090) 1.090 6.361 ( 0.000 0.000 5.773) 5.773 6.443 ( 0.000 0.000 -4.591) 4.591 6.681 ( 0.000 0.000 -3.781) 3.781 6.889 ( 0.000 0.000 -3.258) 3.258 6.945 ( 0.000 0.000 5.816) 5.816 7.196 ( 0.000 0.000 -12.971) 12.971 7.229 ( 0.000 0.000 -17.019) 17.019 7.591 ( 0.000 0.000 -13.895) 13.895 7.762 ( 0.000 0.000 6.803) 6.803 7.985 ( 0.000 0.000 1.165) 1.165 8.065 ( 0.000 0.000 2.846) 2.846 8.165 ( 0.000 0.000 8.220) 8.220 8.585 ( 0.000 0.000 2.533) 2.533 9.287 ( 0.000 0.000 -4.492) 4.492 9.369 ( 0.000 0.000 4.003) 4.003 9.479 ( 0.000 0.000 1.707) 1.707 9.946 ( 0.000 0.000 3.240) 3.240 10.550 ( 0.000 0.000 -8.386) 8.386 10.829 ( 0.000 0.000 0.928) 0.928 11.030 ( 0.000 0.000 -2.367) 2.367 11.188 ( 0.000 0.000 4.847) 4.847 11.477 ( 0.000 0.000 -1.223) 1.223 11.679 ( 0.000 0.000 4.248) 4.248 12.087 ( 0.000 0.000 -4.435) 4.435 12.420 ( 0.000 0.000 6.620) 6.620 12.819 ( 0.000 0.000 -2.976) 2.976 13.021 ( 0.000 0.000 0.339) 0.339 13.107 ( 0.000 0.000 -2.064) 2.064 13.229 ( 0.000 0.000 -0.054) 0.054 13.347 ( 0.000 0.000 -4.272) 4.272 13.722 ( 0.000 0.000 16.069) 16.069 14.714 ( 0.000 0.000 -8.847) 8.847 19.670 ( 0.000 0.000 1.008) 1.008 19.815 ( 0.000 0.000 -2.744) 2.744 19.850 ( 0.000 0.000 0.620) 0.620 19.875 ( 0.000 0.000 0.374) 0.374 20.362 ( 0.000 0.000 1.953) 1.953 20.537 ( 0.000 0.000 -2.828) 2.828 20.728 ( 0.000 0.000 4.491) 4.491 21.051 ( 0.000 0.000 -3.402) 3.402 21.149 ( 0.000 0.000 5.234) 5.234 21.460 ( 0.000 0.000 -2.314) 2.314 22.119 ( 0.000 0.000 1.849) 1.849 22.208 ( 0.000 0.000 3.315) 3.315 22.266 ( 0.000 0.000 -1.488) 1.488 22.609 ( 0.000 0.000 -6.064) 6.064 23.323 ( 0.000 0.000 3.776) 3.776 23.587 ( 0.000 0.000 -2.648) 2.648 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 14.922 0.000 21.004) 25.766 0.967 ( 22.388 0.000 23.208) 32.247 1.550 ( 33.745 0.000 36.219) 49.502 1.965 ( 2.195 0.000 1.024) 2.422 2.138 ( 0.191 0.000 -14.769) 14.770 2.191 ( 3.844 0.000 -9.550) 10.295 2.355 ( 0.622 0.000 -4.681) 4.722 2.556 ( -3.454 0.000 3.279) 4.762 2.631 ( 0.430 0.000 2.981) 3.012 2.721 ( -2.223 0.000 4.154) 4.712 2.791 ( 0.056 0.000 0.720) 0.722 2.889 ( 0.693 0.000 2.467) 2.562 3.067 ( -1.148 0.000 1.331) 1.758 3.245 ( -1.076 0.000 -1.656) 1.975 3.329 ( 0.299 0.000 -2.175) 2.195 3.428 ( 4.086 0.000 -0.830) 4.170 3.494 ( 3.220 0.000 -3.919) 5.072 3.614 ( 8.209 0.000 -0.031) 8.209 3.670 ( -1.587 0.000 0.248) 1.607 3.873 ( 2.435 0.000 0.326) 2.457 3.927 ( 3.911 0.000 0.577) 3.954 4.008 ( 2.658 0.000 -1.452) 3.029 4.088 ( 5.360 0.000 3.172) 6.228 4.166 ( 10.231 0.000 10.199) 14.446 4.651 ( 2.489 0.000 -9.342) 9.668 4.735 ( 0.160 0.000 0.016) 0.160 4.892 ( 4.843 0.000 0.543) 4.873 4.932 ( 8.151 0.000 -3.639) 8.927 5.040 ( 9.350 0.000 6.158) 11.196 5.228 ( 7.014 0.000 12.586) 14.409 5.432 ( 5.261 0.000 -2.133) 5.677 5.627 ( 4.487 0.000 3.902) 5.946 5.681 ( 5.819 0.000 -6.173) 8.484 5.852 ( 0.515 0.000 -2.208) 2.267 5.966 ( 3.299 0.000 -1.383) 3.578 6.067 ( 1.781 0.000 0.900) 1.995 6.307 ( -2.703 0.000 4.567) 5.307 6.455 ( 1.349 0.000 -1.738) 2.200 6.713 ( 1.110 0.000 -0.965) 1.471 6.839 ( -3.379 0.000 1.123) 3.561 7.030 ( -1.218 0.000 -9.023) 9.104 7.123 ( 5.248 0.000 -10.016) 11.307 7.330 ( 2.835 0.000 -8.436) 8.900 7.431 ( -10.155 0.000 -5.285) 11.448 7.735 ( -2.557 0.000 4.862) 5.494 7.927 ( -2.813 0.000 -1.224) 3.068 8.134 ( -4.902 0.000 12.184) 13.133 8.198 ( 6.369 0.000 3.149) 7.105 8.664 ( 11.879 0.000 -2.097) 12.063 9.159 ( -10.698 0.000 1.753) 10.840 9.373 ( -9.762 0.000 2.540) 10.087 9.479 ( 6.325 0.000 -8.370) 10.491 9.765 ( -4.759 0.000 12.572) 13.442 10.505 ( -5.227 0.000 -7.198) 8.896 10.833 ( 0.276 0.000 1.885) 1.905 11.040 ( -0.208 0.000 -2.411) 2.420 11.277 ( 7.517 0.000 2.574) 7.945 11.552 ( 2.141 0.000 3.935) 4.480 11.764 ( 5.177 0.000 -11.618) 12.719 12.057 ( -2.853 0.000 -4.684) 5.484 12.445 ( 1.364 0.000 4.377) 4.585 12.766 ( -6.141 0.000 -0.172) 6.143 12.932 ( 2.764 0.000 5.301) 5.978 13.183 ( -0.069 0.000 3.255) 3.256 13.273 ( 4.730 0.000 -0.623) 4.771 13.445 ( 6.787 0.000 -8.946) 11.230 13.707 ( -1.569 0.000 10.719) 10.833 14.413 ( -18.920 0.000 5.753) 19.776 19.777 ( 2.803 0.000 -1.392) 3.130 19.867 ( 7.094 0.000 -6.027) 9.309 19.900 ( 4.824 0.000 -0.446) 4.845 20.000 ( 8.845 0.000 -5.110) 10.214 20.384 ( 2.373 0.000 1.050) 2.595 20.528 ( -1.034 0.000 -3.131) 3.298 20.726 ( 0.476 0.000 6.062) 6.081 21.039 ( -1.297 0.000 -2.835) 3.117 21.184 ( 3.403 0.000 5.468) 6.440 21.477 ( -0.203 0.000 0.660) 0.691 22.064 ( -5.725 0.000 1.197) 5.849 22.162 ( -5.633 0.000 1.249) 5.770 22.232 ( -1.738 0.000 -1.160) 2.089 22.469 ( -10.212 0.000 -1.725) 10.357 23.364 ( 3.994 0.000 2.706) 4.824 23.596 ( 1.103 0.000 -3.084) 3.275 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 18.748 0.000 12.165) 22.349 1.398 ( 22.440 0.000 16.277) 27.721 1.973 ( 2.144 0.000 -3.721) 4.294 2.137 ( 0.352 0.000 -5.655) 5.666 2.217 ( 16.094 0.000 1.884) 16.204 2.304 ( 7.955 0.000 4.517) 9.148 2.352 ( 4.799 0.000 -2.840) 5.576 2.526 ( 4.306 0.000 2.310) 4.887 2.635 ( -0.046 0.000 2.203) 2.203 2.687 ( -1.688 0.000 1.710) 2.403 2.781 ( -1.109 0.000 -0.328) 1.156 2.878 ( -1.246 0.000 2.493) 2.787 3.037 ( -1.854 0.000 0.882) 2.053 3.244 ( 0.443 0.000 -1.719) 1.775 3.324 ( 0.566 0.000 0.081) 0.572 3.427 ( -2.098 0.000 -0.859) 2.267 3.506 ( -0.056 0.000 -1.015) 1.016 3.650 ( 2.607 0.000 2.696) 3.750 3.893 ( 10.024 0.000 -6.658) 12.034 3.927 ( 3.010 0.000 -2.027) 3.629 4.012 ( 3.507 0.000 0.368) 3.527 4.117 ( 10.680 0.000 -0.450) 10.690 4.189 ( 5.808 0.000 3.034) 6.553 4.377 ( 10.032 0.000 7.702) 12.648 4.666 ( -1.126 0.000 -9.298) 9.365 4.754 ( 0.116 0.000 -3.331) 3.333 5.013 ( 8.772 0.000 -0.646) 8.795 5.114 ( 10.394 0.000 -5.375) 11.701 5.263 ( 11.243 0.000 1.587) 11.355 5.406 ( 11.768 0.000 16.393) 20.179 5.609 ( 11.407 0.000 0.799) 11.435 5.678 ( -0.619 0.000 -2.377) 2.456 5.786 ( 5.501 0.000 -0.967) 5.586 5.928 ( 4.744 0.000 0.579) 4.779 6.019 ( 9.519 0.000 1.443) 9.628 6.256 ( 13.462 0.000 -2.130) 13.629 6.319 ( 3.982 0.000 3.038) 5.008 6.486 ( 2.166 0.000 -1.900) 2.881 6.705 ( -2.290 0.000 0.912) 2.465 6.777 ( -2.540 0.000 0.496) 2.588 6.940 ( -4.643 0.000 -8.999) 10.126 7.221 ( -4.852 0.000 -0.033) 4.852 7.269 ( 5.430 0.000 -7.586) 9.329 7.450 ( 3.401 0.000 0.343) 3.419 7.695 ( -0.714 0.000 3.728) 3.796 7.835 ( -6.438 0.000 4.809) 8.036 8.014 ( -6.149 0.000 5.721) 8.399 8.344 ( 9.295 0.000 5.681) 10.894 8.869 ( 3.390 0.000 -2.662) 4.311 9.006 ( -5.919 0.000 2.700) 6.506 9.133 ( -8.907 0.000 -2.786) 9.333 9.549 ( -2.822 0.000 -7.476) 7.991 9.813 ( 9.513 0.000 5.305) 10.892 10.423 ( -1.801 0.000 -5.618) 5.899 10.816 ( -3.056 0.000 2.976) 4.266 11.018 ( -1.882 0.000 -5.000) 5.343 11.402 ( 5.059 0.000 -0.142) 5.061 11.584 ( 1.773 0.000 5.822) 6.086 11.768 ( -3.900 0.000 -10.500) 11.201 11.992 ( -4.017 0.000 -4.176) 5.794 12.462 ( 0.897 0.000 1.014) 1.354 12.676 ( -3.554 0.000 0.363) 3.572 13.012 ( 3.239 0.000 3.546) 4.803 13.245 ( 8.229 0.000 7.508) 11.139 13.351 ( 3.617 0.000 -2.668) 4.494 13.543 ( 3.323 0.000 3.770) 5.026 13.662 ( -2.866 0.000 1.114) 3.074 14.141 ( -10.087 0.000 2.733) 10.451 19.856 ( 5.512 0.000 -1.087) 5.618 19.953 ( 4.241 0.000 0.441) 4.263 20.032 ( 5.628 0.000 -6.498) 8.597 20.126 ( 4.853 0.000 -3.038) 5.725 20.465 ( 6.282 0.000 -0.799) 6.332 20.507 ( -0.639 0.000 -2.875) 2.945 20.746 ( 1.273 0.000 6.126) 6.257 21.003 ( -2.336 0.000 -1.608) 2.836 21.263 ( 4.225 0.000 5.699) 7.094 21.432 ( -3.830 0.000 4.846) 6.177 21.888 ( -11.936 0.000 -0.057) 11.936 22.014 ( -9.920 0.000 -2.193) 10.159 22.218 ( -0.110 0.000 -0.055) 0.123 22.298 ( -6.926 0.000 -0.968) 6.994 23.459 ( 5.414 0.000 0.873) 5.484 23.626 ( 1.802 0.000 -3.166) 3.643 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 17.015 0.000 6.517) 18.221 1.805 ( 19.248 0.000 9.464) 21.448 1.969 ( -1.978 0.000 -5.049) 5.423 2.136 ( 0.109 0.000 1.317) 1.321 2.289 ( 0.175 0.000 -2.366) 2.372 2.334 ( 1.094 0.000 -4.464) 4.596 2.448 ( 1.082 0.000 1.858) 2.150 2.603 ( -2.890 0.000 2.634) 3.910 2.638 ( -1.099 0.000 -1.649) 1.981 2.720 ( -1.828 0.000 -0.458) 1.885 2.798 ( 4.402 0.000 0.714) 4.459 2.896 ( 4.320 0.000 1.636) 4.619 2.994 ( -2.865 0.000 1.454) 3.213 3.199 ( -4.565 0.000 -3.250) 5.604 3.419 ( 2.292 0.000 -4.616) 5.154 3.486 ( 14.483 0.000 2.022) 14.623 3.515 ( 1.018 0.000 -0.445) 1.111 3.707 ( 4.869 0.000 6.226) 7.904 3.971 ( 0.872 0.000 -7.474) 7.525 3.983 ( 0.682 0.000 -6.343) 6.379 4.060 ( 2.283 0.000 2.390) 3.305 4.305 ( 4.272 0.000 -0.375) 4.288 4.324 ( 7.858 0.000 1.148) 7.942 4.478 ( 1.753 0.000 -3.822) 4.205 4.651 ( -0.780 0.000 -4.219) 4.290 4.737 ( -0.536 0.000 -1.297) 1.403 5.187 ( 7.904 0.000 -2.337) 8.242 5.336 ( 12.274 0.000 -0.661) 12.291 5.425 ( 7.690 0.000 0.093) 7.690 5.593 ( 3.481 0.000 9.028) 9.676 5.727 ( 2.271 0.000 3.730) 4.367 5.733 ( 2.617 0.000 0.506) 2.666 5.879 ( 10.208 0.000 1.061) 10.263 6.096 ( 8.889 0.000 -1.319) 8.986 6.235 ( 8.320 0.000 2.681) 8.741 6.412 ( 3.848 0.000 -2.779) 4.746 6.498 ( 11.279 0.000 -1.621) 11.394 6.551 ( 4.419 0.000 0.841) 4.499 6.667 ( 1.010 0.000 -0.869) 1.332 6.770 ( 2.246 0.000 0.640) 2.335 6.892 ( 0.614 0.000 -6.854) 6.881 7.221 ( 4.613 0.000 5.896) 7.486 7.343 ( -0.694 0.000 -5.726) 5.768 7.405 ( -2.973 0.000 4.785) 5.633 7.694 ( -1.912 0.000 6.951) 7.209 7.781 ( 0.578 0.000 14.195) 14.207 7.896 ( -5.030 0.000 -2.745) 5.730 8.535 ( 10.144 0.000 2.842) 10.534 8.721 ( -19.026 0.000 -0.160) 19.027 8.911 ( 4.710 0.000 4.393) 6.441 9.083 ( -4.516 0.000 -6.610) 8.005 9.443 ( -6.956 0.000 -2.265) 7.315 10.034 ( 12.175 0.000 -0.234) 12.177 10.470 ( 6.363 0.000 -8.780) 10.844 10.703 ( -7.952 0.000 2.026) 8.206 10.968 ( -3.767 0.000 -6.791) 7.765 11.482 ( 3.640 0.000 -1.199) 3.833 11.612 ( 0.746 0.000 3.454) 3.534 11.680 ( -3.760 0.000 -5.718) 6.843 11.894 ( -6.194 0.000 -1.963) 6.498 12.482 ( 1.084 0.000 -2.162) 2.419 12.609 ( -3.600 0.000 -2.311) 4.278 13.076 ( 4.506 0.000 4.499) 6.367 13.392 ( 1.215 0.000 3.241) 3.461 13.463 ( 10.076 0.000 3.864) 10.791 13.551 ( -1.121 0.000 5.415) 5.530 13.642 ( 1.501 0.000 1.168) 1.902 13.996 ( -5.849 0.000 -0.593) 5.879 19.962 ( 4.899 0.000 -2.059) 5.314 20.044 ( 5.053 0.000 1.648) 5.315 20.099 ( 1.874 0.000 -6.018) 6.303 20.192 ( 1.824 0.000 -1.739) 2.520 20.506 ( 1.678 0.000 -0.495) 1.749 20.631 ( 9.242 0.000 -2.896) 9.686 20.764 ( 0.570 0.000 5.568) 5.597 20.958 ( -2.031 0.000 -0.519) 2.096 21.325 ( 1.782 0.000 4.921) 5.234 21.359 ( -3.078 0.000 4.895) 5.782 21.656 ( -11.137 0.000 -0.912) 11.174 21.783 ( -13.227 0.000 -3.006) 13.564 22.211 ( -1.820 0.000 0.429) 1.870 22.219 ( -0.597 0.000 0.608) 0.852 23.558 ( 4.697 0.000 -0.460) 4.720 23.657 ( 1.171 0.000 -2.728) 2.969 ======================= Grid point 67 (25/60) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 12.042 0.000 1.986) 12.205 1.885 ( -6.204 0.000 -2.104) 6.551 2.103 ( 8.863 0.000 6.194) 10.814 2.151 ( 1.291 0.000 3.848) 4.059 2.284 ( 0.980 0.000 -4.056) 4.173 2.345 ( -1.191 0.000 -3.047) 3.272 2.466 ( 1.568 0.000 3.273) 3.630 2.529 ( -4.155 0.000 2.833) 5.029 2.617 ( 0.005 0.000 -0.509) 0.509 2.662 ( -3.461 0.000 -0.509) 3.499 2.850 ( 2.928 0.000 0.511) 2.972 2.921 ( -4.033 0.000 1.043) 4.166 2.989 ( 5.030 0.000 -2.419) 5.582 3.096 ( -5.813 0.000 -3.319) 6.694 3.488 ( 3.387 0.000 -4.766) 5.847 3.523 ( -0.314 0.000 -1.981) 2.006 3.682 ( 7.822 0.000 -3.696) 8.651 3.851 ( -5.773 0.000 -10.405) 11.899 3.926 ( 7.348 0.000 1.893) 7.588 4.008 ( -0.243 0.000 -0.994) 1.023 4.119 ( 5.120 0.000 2.220) 5.580 4.251 ( -6.581 0.000 0.093) 6.581 4.469 ( 6.595 0.000 -0.502) 6.614 4.553 ( 2.010 0.000 -4.036) 4.509 4.602 ( -0.050 0.000 -4.350) 4.350 4.704 ( -4.668 0.000 -4.285) 6.336 5.335 ( 8.229 0.000 4.388) 9.326 5.460 ( -1.804 0.000 6.679) 6.918 5.580 ( 4.610 0.000 -0.509) 4.638 5.653 ( -0.810 0.000 0.962) 1.257 5.668 ( 5.791 0.000 -0.828) 5.849 5.790 ( -2.001 0.000 0.358) 2.033 6.061 ( 7.603 0.000 3.007) 8.176 6.200 ( -5.578 0.000 -0.066) 5.579 6.285 ( 7.808 0.000 0.756) 7.845 6.419 ( -3.750 0.000 -2.248) 4.372 6.620 ( 3.729 0.000 2.105) 4.282 6.650 ( 1.088 0.000 -0.546) 1.217 6.766 ( 6.432 0.000 -4.071) 7.612 6.823 ( 0.971 0.000 -6.940) 7.008 7.015 ( 12.216 0.000 0.348) 12.221 7.222 ( -7.378 0.000 -0.540) 7.397 7.358 ( 7.978 0.000 6.784) 10.472 7.457 ( 2.236 0.000 9.900) 10.149 7.603 ( -5.969 0.000 7.012) 9.209 7.666 ( -7.806 0.000 14.943) 16.859 7.995 ( 13.045 0.000 -0.265) 13.048 8.329 ( -20.385 0.000 -0.690) 20.397 8.733 ( 10.385 0.000 -3.684) 11.019 8.931 ( -9.981 0.000 -7.164) 12.286 9.073 ( 10.859 0.000 6.393) 12.601 9.281 ( -10.088 0.000 3.481) 10.672 10.263 ( 11.690 0.000 -2.545) 11.964 10.475 ( -9.622 0.000 -4.715) 10.715 10.686 ( 8.987 0.000 -6.272) 10.959 10.858 ( -7.785 0.000 -8.092) 11.229 11.546 ( 2.930 0.000 -1.169) 3.154 11.593 ( -2.145 0.000 -1.207) 2.461 11.674 ( 2.921 0.000 0.088) 2.922 11.769 ( -6.369 0.000 -0.268) 6.374 12.506 ( 1.515 0.000 -3.906) 4.190 12.546 ( -2.756 0.000 -3.990) 4.850 13.190 ( 7.066 0.000 5.741) 9.104 13.327 ( -6.600 0.000 5.768) 8.765 13.549 ( 2.700 0.000 0.338) 2.721 13.587 ( -0.329 0.000 1.001) 1.054 13.742 ( 8.529 0.000 4.677) 9.727 13.887 ( -6.263 0.000 1.348) 6.406 20.040 ( 3.419 0.000 -2.171) 4.050 20.088 ( -1.227 0.000 -1.434) 1.887 20.147 ( 3.568 0.000 -3.241) 4.820 20.196 ( -1.296 0.000 -2.195) 2.548 20.578 ( 5.510 0.000 2.585) 6.086 20.681 ( -4.020 0.000 2.568) 4.770 20.850 ( 7.185 0.000 -0.576) 7.208 20.931 ( -1.553 0.000 -0.557) 1.650 21.318 ( -0.370 0.000 3.386) 3.406 21.336 ( -1.148 0.000 3.566) 3.746 21.507 ( -3.256 0.000 -1.461) 3.568 21.560 ( -8.542 0.000 -2.093) 8.795 22.197 ( 0.264 0.000 1.315) 1.342 22.209 ( -0.726 0.000 1.455) 1.626 23.631 ( 2.823 0.000 -1.364) 3.135 23.664 ( -0.591 0.000 -2.093) 2.175 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.000 18.240 20.062) 27.114 0.833 ( 0.000 15.328 23.653) 28.185 1.577 ( 0.000 32.810 38.689) 50.728 1.986 ( 0.000 3.994 2.047) 4.488 2.142 ( 0.000 1.391 -10.709) 10.799 2.179 ( 0.000 2.764 -14.911) 15.165 2.409 ( 0.000 4.298 -4.393) 6.145 2.551 ( 0.000 -4.013 3.249) 5.163 2.619 ( 0.000 -0.009 2.059) 2.059 2.686 ( 0.000 -4.703 4.176) 6.290 2.794 ( 0.000 -0.478 -2.979) 3.017 2.945 ( 0.000 1.366 -0.771) 1.569 3.049 ( 0.000 1.428 4.158) 4.397 3.320 ( 0.000 2.292 -2.587) 3.456 3.338 ( 0.000 2.935 -2.278) 3.715 3.384 ( 0.000 1.783 1.800) 2.533 3.434 ( 0.000 5.360 1.493) 5.564 3.617 ( 0.000 5.165 -0.374) 5.178 3.701 ( 0.000 -4.517 -0.127) 4.518 3.863 ( 0.000 2.911 5.008) 5.793 3.915 ( 0.000 1.165 0.795) 1.410 3.975 ( 0.000 1.599 8.222) 8.376 4.017 ( 0.000 7.909 1.796) 8.111 4.237 ( 0.000 11.521 -0.062) 11.521 4.649 ( 0.000 2.663 -4.710) 5.410 4.725 ( 0.000 -3.253 2.996) 4.422 4.793 ( 0.000 -4.261 5.854) 7.241 4.882 ( 0.000 2.378 0.675) 2.472 5.000 ( 0.000 3.722 -2.969) 4.761 5.155 ( 0.000 0.955 5.346) 5.430 5.424 ( 0.000 -4.403 1.699) 4.719 5.543 ( 0.000 2.009 -7.325) 7.595 5.679 ( 0.000 7.283 -7.256) 10.280 5.824 ( 0.000 -3.497 -5.232) 6.293 6.034 ( 0.000 5.094 -4.327) 6.684 6.101 ( 0.000 2.405 -0.564) 2.470 6.347 ( 0.000 -0.486 3.942) 3.971 6.533 ( 0.000 5.315 -2.804) 6.010 6.589 ( 0.000 -6.451 -2.462) 6.905 6.778 ( 0.000 -7.517 -0.904) 7.571 6.943 ( 0.000 -5.472 -0.660) 5.512 7.158 ( 0.000 -5.561 -13.945) 15.013 7.268 ( 0.000 8.010 -11.933) 14.372 7.548 ( 0.000 -4.026 -6.063) 7.278 7.745 ( 0.000 -2.178 -0.629) 2.267 7.918 ( 0.000 -4.775 1.133) 4.908 8.101 ( 0.000 1.927 3.539) 4.030 8.200 ( 0.000 5.272 7.952) 9.541 8.620 ( 0.000 2.541 3.142) 4.041 8.976 ( 0.000 -15.030 8.117) 17.082 9.339 ( 0.000 -5.999 0.575) 6.027 9.553 ( 0.000 -5.635 -4.872) 7.449 9.764 ( 0.000 0.683 14.689) 14.704 10.407 ( 0.000 -13.276 -3.237) 13.665 10.932 ( 0.000 3.060 -0.792) 3.161 11.023 ( 0.000 4.226 0.938) 4.329 11.241 ( 0.000 3.422 1.757) 3.847 11.529 ( 0.000 -3.892 -5.071) 6.393 11.950 ( 0.000 17.286 -15.651) 23.319 12.107 ( 0.000 2.768 -5.568) 6.218 12.439 ( 0.000 1.425 7.011) 7.154 12.878 ( 0.000 4.953 -3.370) 5.991 12.902 ( 0.000 -8.902 5.589) 10.511 13.085 ( 0.000 -3.266 0.763) 3.354 13.132 ( 0.000 -6.658 -3.549) 7.544 13.371 ( 0.000 -0.247 -1.614) 1.633 13.772 ( 0.000 3.258 8.024) 8.660 14.426 ( 0.000 -18.623 5.933) 19.545 19.695 ( 0.000 2.025 0.970) 2.245 19.787 ( 0.000 1.653 -2.804) 3.255 19.904 ( 0.000 2.791 1.258) 3.061 20.030 ( 0.000 5.744 -3.841) 6.909 20.466 ( 0.000 6.137 -4.752) 7.762 20.585 ( 0.000 5.063 -4.503) 6.776 20.742 ( 0.000 1.738 1.918) 2.588 21.050 ( 0.000 -0.816 -2.819) 2.935 21.191 ( 0.000 4.629 4.179) 6.236 21.474 ( 0.000 1.517 -2.158) 2.637 21.954 ( 0.000 -10.594 15.274) 18.589 22.189 ( 0.000 -2.707 3.299) 4.267 22.362 ( 0.000 7.572 -2.686) 8.034 22.594 ( 0.000 1.000 -6.200) 6.280 23.167 ( 0.000 -10.024 9.395) 13.738 23.512 ( 0.000 -5.897 -3.274) 6.745 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 14.886 17.133 13.756) 26.539 1.122 ( 21.802 12.952 17.391) 30.749 1.778 ( 19.776 21.088 27.754) 40.076 2.017 ( 3.752 5.442 1.668) 6.817 2.148 ( 1.092 1.584 -8.061) 8.288 2.235 ( 4.724 3.723 -10.438) 12.047 2.430 ( 1.209 5.429 -4.814) 7.356 2.527 ( -1.331 -3.060 2.492) 4.165 2.615 ( 0.016 -0.915 1.214) 1.520 2.695 ( 0.287 -1.536 3.465) 3.801 2.798 ( 0.310 -0.512 -1.517) 1.630 2.932 ( -1.100 1.359 0.450) 1.806 3.049 ( -0.586 1.399 3.040) 3.397 3.295 ( -1.877 3.948 -1.610) 4.659 3.352 ( 0.562 1.313 -2.514) 2.892 3.459 ( 5.204 0.898 -0.039) 5.281 3.510 ( 5.396 3.255 -0.177) 6.304 3.601 ( -0.657 -1.187 3.288) 3.557 3.659 ( -0.029 2.200 -1.262) 2.537 3.879 ( 2.731 1.483 0.611) 3.167 3.950 ( 2.946 0.241 0.513) 3.000 4.060 ( 6.656 6.402 2.709) 9.625 4.120 ( 8.690 4.389 4.485) 10.719 4.281 ( 5.430 9.676 3.271) 11.567 4.662 ( 0.371 0.749 -3.572) 3.668 4.738 ( 2.324 -0.213 -0.549) 2.398 4.873 ( 7.238 -3.093 2.893) 8.386 4.983 ( 8.289 4.016 -2.957) 9.673 5.076 ( 7.407 3.122 -1.004) 8.101 5.197 ( 5.601 -1.228 8.478) 10.235 5.445 ( 3.693 -3.104 0.476) 4.847 5.605 ( 5.852 1.492 -4.409) 7.477 5.744 ( 4.173 4.170 -4.633) 7.502 5.853 ( 4.532 0.107 -5.237) 6.926 6.023 ( -1.518 4.053 -1.122) 4.470 6.118 ( 3.622 5.006 1.077) 6.272 6.350 ( -1.242 3.074 2.873) 4.387 6.446 ( -1.931 -0.894 -1.622) 2.675 6.651 ( 1.961 -3.830 2.629) 5.043 6.795 ( 1.836 -4.818 -1.207) 5.296 7.002 ( 5.073 -7.386 -4.673) 10.105 7.047 ( -5.479 -2.618 -11.239) 12.774 7.355 ( -0.063 1.576 -8.202) 8.352 7.416 ( -7.215 -0.539 -3.372) 7.982 7.692 ( -2.427 -3.949 3.346) 5.716 7.873 ( -3.518 -3.324 0.735) 4.895 8.146 ( -3.223 0.726 8.260) 8.896 8.284 ( 8.291 6.588 0.309) 10.594 8.692 ( 10.075 2.153 -0.700) 10.326 9.027 ( 0.962 -10.807 3.434) 11.380 9.209 ( -8.712 -8.797 1.865) 12.521 9.515 ( -1.979 1.667 -1.507) 2.995 9.837 ( 4.456 1.870 6.078) 7.765 10.364 ( -3.722 -11.077 -2.536) 11.957 10.924 ( -1.909 6.147 -1.104) 6.531 10.973 ( -0.955 -3.040 -1.776) 3.648 11.343 ( 6.814 3.505 2.415) 8.034 11.542 ( 0.622 -2.010 0.070) 2.105 11.875 ( -5.958 6.639 -9.604) 13.108 12.107 ( -0.883 5.841 -7.796) 9.782 12.449 ( 0.293 0.316 4.374) 4.395 12.721 ( -8.154 -4.550 3.072) 9.830 12.921 ( 1.846 -0.709 2.694) 3.342 13.130 ( 3.936 -4.724 1.958) 6.453 13.270 ( 7.117 -1.342 -0.901) 7.298 13.382 ( 2.055 -4.477 -4.383) 6.593 13.727 ( -4.315 1.113 7.703) 8.899 14.293 ( -10.121 -9.440 4.999) 14.715 19.748 ( 4.013 -0.347 0.295) 4.039 19.845 ( 5.402 1.040 -3.715) 6.638 19.959 ( 5.346 2.985 0.336) 6.132 20.084 ( 4.576 3.729 -3.993) 7.127 20.466 ( 0.361 5.383 -3.647) 6.512 20.580 ( -0.970 5.667 -4.523) 7.315 20.734 ( 0.254 0.887 5.109) 5.191 21.038 ( -1.227 -0.625 -2.207) 2.601 21.202 ( 1.475 2.343 5.508) 6.164 21.485 ( -0.731 0.737 -0.391) 1.109 21.933 ( -2.899 -8.325 7.821) 11.784 22.173 ( -1.611 -2.077 1.256) 2.913 22.298 ( -5.867 7.451 -1.108) 9.548 22.537 ( -5.095 5.765 -4.379) 8.853 23.227 ( 5.432 -10.901 5.641) 13.422 23.519 ( 0.955 -6.414 -3.311) 7.281 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 17.801 16.086 7.177) 25.043 1.509 ( 19.185 10.784 14.468) 26.338 2.011 ( 3.427 3.698 -4.310) 6.633 2.129 ( 1.438 0.218 0.147) 1.462 2.291 ( 8.940 6.095 -0.820) 10.851 2.329 ( 6.820 4.137 2.253) 8.289 2.459 ( 2.409 6.637 -4.416) 8.328 2.561 ( 5.876 0.801 2.182) 6.319 2.622 ( 1.614 1.871 0.803) 2.598 2.698 ( 1.409 0.796 2.672) 3.124 2.796 ( -0.353 1.332 -0.276) 1.405 2.901 ( -2.167 1.489 1.670) 3.115 3.025 ( -1.600 0.383 1.798) 2.437 3.277 ( -0.312 2.582 -1.437) 2.971 3.360 ( 1.845 3.141 0.338) 3.658 3.454 ( -3.045 2.193 -0.406) 3.774 3.544 ( 0.200 1.543 -1.802) 2.381 3.647 ( 2.724 1.718 4.193) 5.287 3.788 ( 9.504 -5.084 -2.897) 11.161 3.944 ( 3.722 2.122 -1.688) 4.605 4.035 ( 5.510 0.036 1.141) 5.627 4.214 ( 8.736 7.059 -0.580) 11.247 4.266 ( 6.874 7.578 -1.080) 10.288 4.453 ( 10.271 6.691 5.562) 13.461 4.646 ( -2.262 -1.467 -4.639) 5.366 4.783 ( 1.472 2.562 -3.415) 4.516 5.036 ( 9.060 0.787 0.668) 9.118 5.129 ( 8.525 1.854 -6.074) 10.631 5.273 ( 10.413 1.234 0.832) 10.518 5.377 ( 11.986 -1.601 11.379) 16.604 5.566 ( 7.635 -2.918 -0.021) 8.174 5.735 ( 6.819 3.019 0.519) 7.475 5.850 ( 7.330 3.091 -3.157) 8.558 5.912 ( 0.941 1.960 -1.235) 2.500 6.054 ( 6.688 3.389 0.131) 7.499 6.251 ( 8.676 -0.080 -1.606) 8.824 6.364 ( 4.010 3.110 1.511) 5.295 6.477 ( 4.828 0.372 -0.083) 4.843 6.672 ( -0.058 -1.590 3.701) 4.028 6.810 ( -0.382 0.552 -2.102) 2.207 6.916 ( -4.376 -2.610 -6.908) 8.584 7.165 ( 3.468 -6.438 -4.353) 8.510 7.215 ( -0.337 -4.347 -1.500) 4.611 7.436 ( 1.380 -0.153 1.405) 1.975 7.651 ( -1.835 -3.582 5.704) 6.980 7.783 ( -5.662 -2.983 2.966) 7.054 8.027 ( -7.697 0.680 5.221) 9.325 8.454 ( 9.383 6.984 -0.625) 11.714 8.855 ( -1.650 -4.515 0.250) 4.813 8.957 ( -2.469 0.370 -0.627) 2.574 9.123 ( 0.056 -1.802 0.356) 1.837 9.506 ( -0.490 -0.274 -2.957) 3.010 9.917 ( 5.484 4.660 0.276) 7.202 10.313 ( -0.451 -8.053 -2.737) 8.517 10.870 ( -4.017 2.593 -2.343) 5.324 10.968 ( -0.957 -3.938 -4.964) 6.409 11.426 ( 1.655 2.286 0.957) 2.980 11.568 ( 2.498 -0.274 5.709) 6.238 11.760 ( -5.789 -1.339 -6.588) 8.872 12.052 ( -4.810 5.126 -4.366) 8.275 12.455 ( 0.916 -0.593 0.978) 1.465 12.628 ( -2.655 -4.598 1.173) 5.437 12.957 ( 1.988 -3.739 5.341) 6.816 13.250 ( 8.045 -4.333 0.518) 9.153 13.335 ( 2.085 0.837 1.380) 2.637 13.467 ( 5.298 -6.617 -0.008) 8.477 13.626 ( -5.760 -1.992 5.743) 8.374 14.121 ( -7.462 -2.210 0.037) 7.783 19.848 ( 6.435 0.160 0.043) 6.437 19.946 ( 4.867 0.794 -1.992) 5.318 20.083 ( 6.456 2.953 -2.618) 7.567 20.166 ( 3.609 2.588 -3.139) 5.438 20.498 ( 3.282 2.372 -1.954) 4.496 20.555 ( -0.910 5.514 -3.052) 6.368 20.756 ( 1.394 0.887 5.814) 6.044 21.004 ( -2.301 -0.355 -1.018) 2.541 21.240 ( 1.982 -1.461 5.692) 6.202 21.432 ( -3.887 -0.501 2.986) 4.927 21.825 ( -8.013 -3.372 1.630) 8.845 22.071 ( -10.415 2.302 -3.919) 11.364 22.221 ( -0.705 4.289 3.035) 5.301 22.437 ( -4.588 10.199 -2.539) 11.468 23.345 ( 6.374 -10.509 1.782) 12.420 23.548 ( 1.793 -7.095 -3.215) 7.993 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 15.060 14.575 4.213) 21.378 1.860 ( 16.544 5.682 9.572) 19.941 2.046 ( 0.738 6.736 -4.144) 7.943 2.149 ( 1.686 1.556 2.034) 3.066 2.334 ( 1.281 4.197 -3.308) 5.495 2.410 ( -0.926 6.305 -3.242) 7.150 2.474 ( 0.374 2.307 -0.665) 2.430 2.588 ( -0.467 -1.096 0.112) 1.197 2.639 ( -1.781 -0.272 1.726) 2.495 2.740 ( -0.961 3.235 -1.163) 3.570 2.848 ( 0.794 3.120 -0.259) 3.230 2.893 ( 3.941 -0.012 1.410) 4.185 2.993 ( -1.906 0.728 1.700) 2.656 3.228 ( -4.754 2.421 -3.027) 6.133 3.425 ( 0.530 0.789 -3.746) 3.865 3.524 ( 10.024 2.718 2.554) 10.696 3.548 ( 3.299 2.407 -1.536) 4.363 3.712 ( 5.867 0.936 5.270) 7.942 3.918 ( 4.043 -1.488 -5.250) 6.791 4.016 ( 3.595 2.835 -1.712) 4.888 4.127 ( 3.423 3.805 1.199) 5.257 4.338 ( 2.403 3.009 -1.906) 4.296 4.385 ( 4.108 5.770 -2.137) 7.398 4.561 ( 1.272 6.988 -3.499) 7.918 4.609 ( -0.042 -2.224 -3.779) 4.386 4.817 ( 2.254 6.668 -1.298) 7.157 5.202 ( 8.115 1.029 0.024) 8.180 5.304 ( 8.538 -2.742 -1.736) 9.134 5.447 ( 9.024 3.590 2.500) 10.029 5.567 ( 5.622 -3.142 3.196) 7.190 5.692 ( 3.420 1.254 5.409) 6.521 5.827 ( 2.487 3.921 0.462) 4.667 5.922 ( 7.011 3.753 -1.580) 8.108 6.081 ( 9.619 -3.468 -1.160) 10.290 6.183 ( 4.550 -0.294 -0.023) 4.560 6.397 ( 4.917 -2.243 -0.218) 5.409 6.470 ( 7.304 -1.968 -1.599) 7.732 6.603 ( 5.675 4.409 3.124) 7.836 6.683 ( 3.496 1.527 0.612) 3.863 6.825 ( 4.116 2.576 -2.475) 5.450 6.885 ( 0.022 0.068 -6.157) 6.158 7.181 ( 4.619 -3.558 7.224) 9.283 7.296 ( -0.069 -3.041 -4.794) 5.678 7.453 ( 1.861 1.614 3.747) 4.484 7.629 ( -0.199 -5.545 9.922) 11.368 7.708 ( -0.853 -4.646 7.954) 9.251 7.869 ( -8.639 -1.818 3.011) 9.328 8.551 ( -9.570 -8.621 -4.556) 13.663 8.716 ( 2.295 8.131 3.613) 9.189 8.984 ( 3.616 7.428 2.444) 8.615 9.129 ( -2.315 2.529 -2.533) 4.263 9.451 ( -5.280 1.502 -2.808) 6.166 10.074 ( 10.202 2.897 -2.412) 10.876 10.377 ( 7.117 -7.014 -5.929) 11.619 10.746 ( -8.744 1.643 -3.978) 9.746 10.919 ( -4.430 -4.364 -7.139) 9.468 11.452 ( 1.801 -2.102 1.026) 2.952 11.593 ( -1.248 -2.633 1.729) 3.388 11.685 ( -0.546 2.177 -1.766) 2.856 11.940 ( -6.429 3.723 -0.663) 7.459 12.482 ( 1.570 -0.198 -1.258) 2.022 12.585 ( -2.183 -2.646 -1.046) 3.586 13.014 ( 4.342 -4.916 5.985) 8.879 13.344 ( 0.492 -4.899 0.928) 5.011 13.423 ( 5.228 -6.975 3.170) 9.276 13.503 ( -2.913 -5.076 3.448) 6.793 13.598 ( 6.274 0.305 2.725) 6.847 14.001 ( -5.531 -0.265 -2.068) 5.911 19.979 ( 6.583 1.549 -0.899) 6.823 20.036 ( 4.636 1.365 -1.032) 4.942 20.175 ( 2.935 4.468 -3.308) 6.287 20.217 ( 1.512 2.218 -2.277) 3.520 20.527 ( 0.364 2.091 -0.513) 2.183 20.624 ( 7.052 -0.183 -2.186) 7.385 20.766 ( -0.718 0.155 5.363) 5.413 20.955 ( -2.676 -0.863 -0.216) 2.820 21.268 ( 1.217 -3.115 4.297) 5.445 21.375 ( -1.437 -0.300 3.123) 3.451 21.655 ( -8.949 1.009 -0.085) 9.007 21.828 ( -13.666 3.443 -2.799) 14.368 22.232 ( 1.439 5.281 2.301) 5.937 22.369 ( -2.790 10.822 -0.915) 11.213 23.459 ( 5.355 -9.479 -0.125) 10.887 23.578 ( 1.119 -7.441 -2.748) 8.011 ======================= Grid point 76 (30/60) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 10.192 11.566 1.865) 15.528 1.982 ( -4.031 8.204 0.250) 9.144 2.145 ( 8.027 4.677 4.156) 10.177 2.203 ( 2.689 4.304 3.349) 6.081 2.332 ( -0.747 4.402 -4.433) 6.292 2.382 ( -1.597 3.719 -2.999) 5.037 2.479 ( 1.122 1.267 2.374) 2.916 2.545 ( -4.151 1.475 2.144) 4.899 2.628 ( 2.234 1.466 -0.326) 2.692 2.700 ( -3.683 3.236 0.529) 4.931 2.861 ( 2.077 1.187 -0.924) 2.564 2.920 ( -3.072 0.357 0.508) 3.134 2.998 ( 4.988 0.575 -1.625) 5.278 3.116 ( -6.480 1.565 -3.163) 7.379 3.460 ( 2.698 -1.827 -4.059) 5.205 3.513 ( -2.460 -1.463 -2.087) 3.542 3.733 ( 8.464 4.082 -4.166) 10.278 3.846 ( 0.158 1.193 -6.329) 6.443 3.988 ( 5.812 3.907 2.219) 7.346 4.064 ( -0.300 6.470 -0.495) 6.496 4.163 ( 3.012 3.732 0.349) 4.808 4.274 ( -5.924 1.769 -0.822) 6.237 4.464 ( 4.036 -0.260 -0.234) 4.051 4.539 ( -3.549 -2.352 -2.234) 4.808 4.685 ( 7.080 9.436 -6.462) 13.451 4.806 ( -4.204 8.727 -6.121) 11.459 5.359 ( 8.104 1.425 5.155) 9.710 5.428 ( 3.141 -4.505 3.571) 6.551 5.553 ( 0.609 1.798 2.672) 3.278 5.590 ( -3.463 -0.634 2.094) 4.096 5.746 ( 7.256 3.118 -2.045) 8.158 5.857 ( -1.938 3.278 -0.694) 3.871 6.057 ( 5.733 -0.262 0.707) 5.782 6.143 ( -3.025 -4.206 -1.459) 5.382 6.283 ( 7.395 0.185 1.729) 7.597 6.398 ( -3.743 -1.816 0.798) 4.236 6.619 ( 6.329 -1.123 0.229) 6.431 6.676 ( 0.793 1.687 -0.115) 1.868 6.780 ( 4.841 2.134 -2.905) 6.036 6.854 ( -2.307 2.751 -6.739) 7.636 6.999 ( 11.591 -1.720 0.216) 11.720 7.197 ( -6.819 -2.663 0.196) 7.323 7.351 ( 9.497 -0.765 9.138) 13.201 7.496 ( -1.253 3.039 8.350) 8.974 7.589 ( -2.153 -1.469 7.324) 7.773 7.659 ( -6.406 -0.492 14.071) 15.468 7.877 ( 13.065 -9.031 0.370) 15.887 8.214 ( -19.940 -9.431 -0.879) 22.075 8.861 ( 8.253 9.348 -3.449) 12.938 9.006 ( -6.234 5.141 -5.019) 9.512 9.130 ( 8.095 6.385 5.188) 11.542 9.310 ( -9.120 3.582 1.594) 9.927 10.284 ( 11.434 1.866 -4.260) 12.344 10.478 ( -5.026 -0.260 -6.688) 8.370 10.630 ( 4.396 -4.891 -6.727) 9.407 10.793 ( -8.538 -6.002 -8.635) 13.545 11.495 ( 2.465 -3.896 0.370) 4.625 11.544 ( -2.776 -4.082 -0.613) 4.974 11.726 ( 3.797 4.610 1.334) 6.119 11.820 ( -5.876 4.069 0.932) 7.208 12.511 ( 1.505 0.098 -2.244) 2.703 12.544 ( -2.023 -0.604 -2.270) 3.101 13.127 ( 7.174 -5.605 6.390) 11.122 13.269 ( -7.049 -5.424 6.076) 10.772 13.472 ( 1.923 -7.782 -0.173) 8.018 13.496 ( -0.119 -7.569 0.840) 7.616 13.753 ( 8.400 1.069 2.343) 8.786 13.893 ( -6.189 0.132 -0.302) 6.198 20.081 ( 3.959 3.715 -2.037) 5.799 20.109 ( 1.835 2.506 -1.789) 3.585 20.201 ( 0.574 4.203 -2.561) 4.955 20.221 ( -0.935 2.521 -1.816) 3.245 20.571 ( 4.442 -0.505 2.443) 5.095 20.670 ( -4.339 -1.124 2.471) 5.118 20.802 ( 6.043 -4.055 -0.087) 7.278 20.899 ( -3.630 -3.338 -0.500) 4.956 21.314 ( 4.011 0.768 2.843) 4.976 21.374 ( -0.055 2.842 2.676) 3.904 21.515 ( -3.858 1.030 -1.127) 4.149 21.590 ( -10.023 2.666 -1.555) 10.487 22.271 ( 2.447 7.714 1.773) 8.285 22.319 ( -2.533 9.650 0.701) 10.001 23.543 ( 3.281 -8.531 -1.216) 9.221 23.582 ( -0.839 -7.847 -2.048) 8.153 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 19.274 16.338) 25.266 1.229 ( 0.000 23.635 9.678) 25.540 2.044 ( 0.000 2.683 1.364) 3.010 2.178 ( 0.000 -0.099 -7.380) 7.380 2.212 ( 0.000 9.487 -2.442) 9.797 2.292 ( 0.000 16.604 9.238) 19.001 2.362 ( 0.000 -2.408 0.357) 2.435 2.548 ( 0.000 2.014 1.921) 2.783 2.569 ( 0.000 -5.688 -0.255) 5.694 2.641 ( 0.000 4.589 0.589) 4.627 2.741 ( 0.000 -2.581 -1.077) 2.797 2.986 ( 0.000 4.094 -1.253) 4.282 3.131 ( 0.000 4.257 0.419) 4.277 3.348 ( 0.000 1.191 -2.811) 3.053 3.396 ( 0.000 1.510 -0.537) 1.602 3.425 ( 0.000 1.824 2.420) 3.031 3.542 ( 0.000 -6.099 1.880) 6.382 3.580 ( 0.000 7.945 2.536) 8.340 3.789 ( 0.000 5.515 1.560) 5.732 3.909 ( 0.000 2.312 3.030) 3.812 4.002 ( 0.000 5.484 -1.916) 5.809 4.088 ( 0.000 8.473 9.715) 12.891 4.188 ( 0.000 9.950 1.905) 10.130 4.417 ( 0.000 3.514 -6.089) 7.030 4.643 ( 0.000 -2.525 8.598) 8.961 4.665 ( 0.000 -5.852 8.002) 9.914 4.764 ( 0.000 6.521 3.897) 7.596 4.946 ( 0.000 4.298 -5.366) 6.875 5.070 ( 0.000 3.952 0.076) 3.952 5.177 ( 0.000 -0.329 -1.234) 1.277 5.276 ( 0.000 -7.026 1.325) 7.150 5.606 ( 0.000 -3.250 -5.370) 6.277 5.725 ( 0.000 0.719 -9.418) 9.446 5.848 ( 0.000 7.434 -3.576) 8.250 6.114 ( 0.000 3.014 -1.341) 3.298 6.159 ( 0.000 2.964 -2.473) 3.860 6.332 ( 0.000 -2.080 3.869) 4.393 6.419 ( 0.000 -5.060 0.137) 5.062 6.612 ( 0.000 -7.401 0.853) 7.450 6.671 ( 0.000 -1.252 -3.121) 3.362 6.834 ( 0.000 0.725 -4.565) 4.622 7.040 ( 0.000 -4.785 -9.239) 10.405 7.402 ( 0.000 -2.589 -2.606) 3.674 7.516 ( 0.000 7.239 -8.733) 11.343 7.610 ( 0.000 -10.009 1.681) 10.150 7.904 ( 0.000 3.259 -6.215) 7.017 8.114 ( 0.000 -1.097 1.522) 1.877 8.268 ( 0.000 -2.536 -1.509) 2.951 8.649 ( 0.000 2.869 8.188) 8.676 8.853 ( 0.000 1.586 7.837) 7.996 9.185 ( 0.000 -8.531 -1.298) 8.629 9.351 ( 0.000 -11.373 1.950) 11.539 9.838 ( 0.000 2.515 3.501) 4.311 10.137 ( 0.000 -12.743 -1.390) 12.819 10.951 ( 0.000 1.682 2.401) 2.932 11.139 ( 0.000 3.887 -0.483) 3.917 11.301 ( 0.000 2.029 -0.215) 2.040 11.417 ( 0.000 -5.170 -1.187) 5.305 12.123 ( 0.000 4.207 -9.294) 10.202 12.231 ( 0.000 6.465 -10.505) 12.335 12.458 ( 0.000 0.582 5.943) 5.971 12.739 ( 0.000 -6.971 6.103) 9.265 12.885 ( 0.000 -6.415 2.094) 6.748 13.020 ( 0.000 -5.847 -8.797) 10.563 13.063 ( 0.000 5.474 1.386) 5.647 13.354 ( 0.000 -0.849 1.031) 1.336 13.805 ( 0.000 0.330 4.302) 4.315 14.124 ( 0.000 -12.132 6.496) 13.761 19.747 ( 0.000 3.080 0.278) 3.092 19.827 ( 0.000 1.613 -3.405) 3.767 19.970 ( 0.000 3.549 2.346) 4.254 20.080 ( 0.000 0.583 0.581) 0.823 20.546 ( 0.000 3.095 -2.001) 3.686 20.658 ( 0.000 1.104 0.770) 1.346 20.810 ( 0.000 4.662 -6.517) 8.013 21.017 ( 0.000 -2.285 -2.090) 3.097 21.311 ( 0.000 6.572 3.431) 7.414 21.520 ( 0.000 2.656 -0.749) 2.759 21.795 ( 0.000 -4.838 12.324) 13.240 22.101 ( 0.000 -6.092 1.110) 6.192 22.522 ( 0.000 7.695 -1.839) 7.912 22.693 ( 0.000 9.032 -4.169) 9.948 22.987 ( 0.000 -8.494 6.811) 10.887 23.365 ( 0.000 -8.859 -4.261) 9.830 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 11.156 20.775 8.653) 25.118 1.403 ( 19.131 15.250 11.837) 27.178 2.059 ( 1.184 3.716 -1.784) 4.289 2.128 ( -1.092 0.473 1.262) 1.734 2.280 ( 5.053 5.301 -5.310) 9.046 2.359 ( 4.548 6.642 3.214) 8.667 2.438 ( 5.250 0.360 -0.743) 5.315 2.550 ( 2.051 5.620 3.147) 6.760 2.600 ( 2.767 -1.626 0.259) 3.220 2.672 ( 3.749 5.795 1.943) 7.170 2.765 ( 2.266 -2.004 0.118) 3.028 2.970 ( -1.283 4.056 -1.574) 4.536 3.128 ( -1.210 4.169 -0.440) 4.364 3.353 ( -0.576 1.563 -2.670) 3.147 3.396 ( 0.433 3.006 1.094) 3.228 3.462 ( 3.636 0.146 1.135) 3.812 3.520 ( -1.273 -4.411 2.602) 5.277 3.628 ( 4.864 5.898 1.603) 7.811 3.770 ( -2.484 6.104 0.820) 6.641 3.923 ( 2.766 2.081 2.253) 4.130 4.009 ( 0.772 5.551 -0.358) 5.616 4.167 ( 7.634 4.933 2.294) 9.374 4.277 ( 8.072 9.877 4.025) 13.376 4.442 ( 3.158 3.584 -3.856) 6.139 4.642 ( 0.405 -1.858 7.266) 7.511 4.765 ( 7.507 -0.809 5.726) 9.476 4.807 ( 5.607 1.383 2.970) 6.494 5.059 ( 10.186 3.587 -5.885) 12.299 5.146 ( 5.383 3.438 0.108) 6.388 5.189 ( 4.213 -0.196 1.620) 4.518 5.343 ( 6.503 -4.346 0.559) 7.841 5.641 ( 3.792 -3.933 -6.008) 8.120 5.756 ( 3.914 3.637 -5.989) 8.026 5.949 ( 9.150 6.777 -3.071) 11.793 6.100 ( -0.939 4.268 -1.689) 4.685 6.215 ( 3.812 3.752 -2.793) 6.034 6.356 ( 2.693 -2.779 1.781) 4.260 6.421 ( -0.785 -1.395 -1.480) 2.180 6.614 ( 1.702 -1.388 7.912) 8.211 6.685 ( 2.442 -6.202 -6.252) 9.138 6.867 ( 3.954 -2.401 -3.227) 5.640 6.978 ( -5.224 -3.120 -5.573) 8.251 7.293 ( -11.083 -5.908 -0.782) 12.583 7.475 ( -3.244 -1.290 -3.921) 5.249 7.609 ( 1.569 1.486 0.170) 2.168 7.859 ( -3.875 1.841 -1.293) 4.480 8.128 ( -2.410 -3.143 -0.805) 4.042 8.343 ( 6.017 -4.065 -4.178) 8.377 8.724 ( 7.386 2.969 4.515) 9.152 8.915 ( 5.389 0.820 5.785) 7.949 9.087 ( -4.685 -3.873 1.735) 6.321 9.442 ( 5.250 -8.628 -1.618) 10.228 9.854 ( 1.971 0.660 2.898) 3.566 10.137 ( 0.291 -10.992 -1.862) 11.152 10.925 ( -2.345 0.197 -0.429) 2.392 11.066 ( -5.869 5.297 -1.844) 8.119 11.366 ( 4.841 -1.839 0.637) 5.217 11.467 ( 4.213 -3.532 0.684) 5.540 12.000 ( -10.121 6.564 -6.374) 13.644 12.230 ( -2.137 4.728 -7.018) 8.728 12.442 ( -1.436 -1.392 3.277) 3.839 12.620 ( -7.166 -4.386 4.896) 9.724 12.885 ( -0.017 -3.623 0.469) 3.653 13.037 ( 2.795 -3.478 2.528) 5.128 13.195 ( 7.995 -4.416 -3.480) 9.774 13.343 ( -0.594 -0.404 -0.174) 0.739 13.740 ( -5.530 0.965 6.177) 8.347 14.108 ( -1.964 -8.920 2.153) 9.384 19.781 ( 3.562 2.977 0.322) 4.653 19.873 ( 4.344 1.198 -3.323) 5.598 20.020 ( 4.766 2.975 1.350) 5.778 20.118 ( 3.593 0.288 0.063) 3.605 20.548 ( 0.241 3.601 -1.905) 4.081 20.682 ( 1.738 2.046 0.186) 2.691 20.779 ( -2.175 4.347 -3.623) 6.063 21.006 ( -1.082 -2.397 -1.748) 3.158 21.278 ( -2.524 4.691 5.972) 8.002 21.493 ( -3.745 -0.510 0.748) 3.853 21.820 ( 1.719 -1.943 6.180) 6.703 22.110 ( 0.592 -4.380 -0.694) 4.475 22.462 ( -5.348 8.469 0.170) 10.018 22.689 ( -0.989 9.574 -3.483) 10.236 23.014 ( 3.064 -10.077 5.168) 11.732 23.364 ( 0.077 -9.132 -4.139) 10.027 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 15.500 16.514 5.110) 23.218 1.758 ( 16.495 12.141 8.880) 22.324 2.084 ( 2.306 1.832 -1.434) 3.276 2.152 ( 2.557 2.689 1.738) 4.098 2.383 ( 2.357 -1.004 0.448) 2.601 2.416 ( 4.861 3.253 -6.515) 8.755 2.516 ( 2.405 0.327 -2.487) 3.475 2.576 ( 1.153 3.478 0.633) 3.719 2.659 ( 0.950 -1.733 -1.890) 2.735 2.787 ( 2.781 5.943 2.642) 7.074 2.838 ( 7.035 5.534 3.348) 9.557 2.954 ( 0.321 6.151 -0.743) 6.204 3.081 ( -3.026 3.920 -0.434) 4.971 3.325 ( -1.629 2.093 -1.662) 3.130 3.425 ( 2.863 2.699 1.545) 4.227 3.495 ( 0.623 1.085 1.935) 2.304 3.538 ( 1.990 -0.676 -0.982) 2.320 3.710 ( -0.754 3.670 1.998) 4.246 3.768 ( 7.313 3.286 1.128) 8.096 4.014 ( 5.778 2.461 0.358) 6.290 4.045 ( 3.643 2.441 0.731) 4.446 4.338 ( 8.619 5.219 -2.086) 10.290 4.423 ( 5.826 5.942 -4.178) 9.312 4.541 ( 4.606 0.465 0.862) 4.708 4.667 ( 3.300 4.991 3.322) 6.843 4.855 ( 4.262 4.133 -0.776) 5.988 5.005 ( 11.305 -2.503 5.234) 12.707 5.176 ( 3.972 0.805 -0.812) 4.134 5.305 ( 11.646 2.171 -1.661) 11.962 5.391 ( 12.178 3.800 2.812) 13.063 5.513 ( 10.993 -2.251 -0.943) 11.260 5.753 ( 7.507 -3.497 -4.578) 9.463 5.857 ( 5.309 4.417 -1.364) 7.039 6.074 ( -0.212 9.407 -3.700) 10.111 6.134 ( 7.597 4.172 0.389) 8.676 6.253 ( 1.325 0.049 -5.452) 5.611 6.389 ( 1.329 0.458 0.789) 1.612 6.512 ( 10.505 0.410 1.048) 10.565 6.667 ( 2.256 0.881 2.523) 3.498 6.771 ( 6.604 -4.926 -0.617) 8.262 6.848 ( -5.759 -1.974 -1.555) 6.283 7.016 ( 8.696 -5.251 -0.427) 10.168 7.107 ( -4.755 -6.614 3.443) 8.843 7.433 ( -1.753 -4.454 -1.617) 5.052 7.604 ( -2.082 2.723 6.372) 7.235 7.776 ( -4.504 1.987 0.985) 5.020 8.005 ( -9.484 -3.232 0.856) 10.056 8.416 ( 0.016 -12.229 -7.063) 14.122 8.822 ( 2.367 5.162 3.825) 6.847 9.048 ( 7.878 4.963 2.465) 9.632 9.098 ( 4.621 1.367 0.572) 4.853 9.508 ( 1.664 -1.886 -3.498) 4.309 9.926 ( 5.951 -1.813 -0.483) 6.240 10.163 ( 2.865 -7.244 -4.018) 8.765 10.859 ( -5.012 -2.004 -5.293) 7.560 10.950 ( -5.951 1.553 -3.984) 7.328 11.425 ( 0.954 -3.084 0.860) 3.341 11.544 ( 2.390 -2.491 2.790) 4.438 11.820 ( -6.547 8.087 -0.138) 10.406 12.132 ( -7.099 1.985 -2.139) 7.676 12.433 ( 0.828 -2.414 1.209) 2.824 12.533 ( -2.434 -3.314 2.659) 4.897 12.894 ( 1.126 -2.627 3.355) 4.407 13.111 ( 4.638 -6.907 4.174) 9.308 13.271 ( 0.151 -6.985 -0.616) 7.014 13.371 ( 2.560 -4.101 -0.816) 4.903 13.647 ( -2.767 4.741 4.285) 6.963 14.050 ( -3.835 -4.987 -2.753) 6.867 19.881 ( 6.701 2.926 0.398) 7.323 19.972 ( 5.673 1.258 -2.240) 6.227 20.132 ( 6.407 2.045 -1.010) 6.801 20.194 ( 3.820 0.291 -1.009) 3.962 20.555 ( 0.608 3.540 -0.725) 3.664 20.679 ( -1.735 5.094 -2.915) 6.120 20.778 ( 1.417 1.638 2.303) 3.162 20.975 ( -2.255 -2.413 -1.133) 3.491 21.232 ( -1.895 0.782 6.735) 7.040 21.395 ( -5.072 -3.122 2.550) 6.479 21.815 ( -2.830 2.671 0.887) 3.991 22.077 ( -5.849 -1.257 -4.112) 7.259 22.374 ( -2.100 9.629 3.815) 10.568 22.653 ( -2.377 11.026 -2.381) 11.528 23.103 ( 5.885 -12.525 2.344) 14.036 23.374 ( 0.866 -10.037 -3.732) 10.743 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 12.874 12.944 2.676) 18.451 2.021 ( 10.657 9.524 7.361) 16.077 2.161 ( 5.436 3.336 0.340) 6.387 2.209 ( 3.755 4.668 1.186) 6.107 2.410 ( 2.171 0.657 -2.210) 3.167 2.472 ( -1.299 -0.257 -2.613) 2.929 2.544 ( 1.415 4.347 -4.115) 6.151 2.611 ( -1.707 -1.472 1.282) 2.593 2.641 ( 1.924 6.453 -0.190) 6.737 2.820 ( -0.616 3.278 -0.414) 3.361 2.871 ( 1.285 1.838 -3.458) 4.121 2.968 ( -1.021 6.370 1.990) 6.752 3.025 ( -3.087 2.557 0.872) 4.103 3.273 ( -4.774 1.580 -3.080) 5.897 3.439 ( -1.119 0.040 -2.985) 3.188 3.520 ( -2.047 -2.412 -0.242) 3.173 3.639 ( 10.904 6.870 1.828) 13.017 3.776 ( 8.538 5.291 2.150) 10.273 3.905 ( 6.167 -0.068 -0.455) 6.184 4.098 ( 4.359 3.687 -0.837) 5.770 4.175 ( 7.975 1.459 2.641) 8.526 4.414 ( -2.896 2.010 -3.731) 5.133 4.485 ( 1.501 2.290 -3.332) 4.313 4.549 ( -2.792 1.619 -2.622) 4.158 4.771 ( 7.015 10.515 -3.937) 13.239 4.960 ( 5.430 6.611 -1.484) 8.683 5.200 ( 9.343 -0.811 6.558) 11.444 5.272 ( 5.051 -0.951 -1.915) 5.485 5.529 ( 10.935 2.799 -0.249) 11.290 5.561 ( 5.777 4.494 -0.809) 7.364 5.716 ( 7.544 0.350 3.211) 8.206 5.876 ( 2.976 -0.695 -0.348) 3.076 5.943 ( 4.917 1.357 -4.931) 7.094 6.081 ( 1.738 4.309 -2.601) 5.325 6.223 ( 1.881 1.509 -2.948) 3.809 6.353 ( 7.754 -1.046 2.608) 8.248 6.425 ( 2.473 -1.605 1.431) 3.277 6.658 ( 2.689 -1.911 -1.536) 3.639 6.744 ( 5.034 4.774 4.108) 8.063 6.807 ( 5.017 -1.490 -1.597) 5.472 6.911 ( 5.533 1.073 -2.271) 6.076 7.094 ( 5.231 -4.845 7.602) 10.422 7.220 ( 7.386 -4.317 -1.776) 8.737 7.410 ( 1.399 -4.833 4.076) 6.475 7.559 ( -1.754 -1.517 11.393) 11.626 7.688 ( -4.658 2.834 3.411) 6.431 7.820 ( -8.049 -2.924 3.814) 9.375 8.308 ( -11.083 -13.727 -4.077) 18.108 8.892 ( 5.310 8.077 2.231) 9.920 9.125 ( 0.205 0.829 1.508) 1.734 9.209 ( 5.599 10.488 -0.623) 11.905 9.507 ( -1.935 3.078 -3.608) 5.122 10.093 ( 11.054 -1.448 -5.448) 12.408 10.257 ( 7.066 -4.698 -7.029) 11.019 10.727 ( -8.509 -2.565 -8.457) 12.268 10.825 ( -7.675 -4.679 -7.576) 11.756 11.424 ( -0.217 -1.260 3.241) 3.484 11.528 ( -2.699 -2.086 2.208) 4.063 11.785 ( 1.399 6.851 2.858) 7.554 11.997 ( -6.547 1.163 -0.034) 6.650 12.460 ( 1.577 -2.611 1.366) 3.342 12.512 ( 0.013 -3.319 2.339) 4.060 12.929 ( 2.642 -3.263 6.004) 7.327 13.196 ( 2.964 -10.149 3.467) 11.127 13.252 ( -1.452 -6.396 3.013) 7.218 13.370 ( -1.753 -7.327 0.101) 7.535 13.672 ( 4.730 5.463 -0.812) 7.272 13.971 ( -4.313 -2.790 -4.448) 6.795 20.025 ( 7.868 3.025 0.195) 8.432 20.084 ( 5.956 2.602 -1.554) 6.682 20.237 ( 3.347 1.930 -1.886) 4.300 20.257 ( 3.179 1.358 -1.944) 3.966 20.571 ( 0.530 1.941 0.192) 2.021 20.649 ( -0.607 2.493 -1.786) 3.126 20.767 ( -3.291 0.135 3.876) 5.086 20.911 ( -4.495 -3.216 -0.844) 5.591 21.235 ( 3.026 -0.137 4.686) 5.580 21.351 ( 1.170 -1.765 1.955) 2.882 21.713 ( -7.480 4.563 -0.057) 8.762 21.887 ( -12.521 1.927 -2.980) 13.014 22.395 ( 3.326 10.345 3.339) 11.368 22.606 ( -2.602 12.310 -1.291) 12.648 23.221 ( 6.049 -13.397 0.379) 14.704 23.388 ( 0.380 -11.096 -3.008) 11.503 ======================= Grid point 85 (35/60) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 6.527 10.008 2.426) 12.192 2.132 ( 0.894 6.340 4.182) 7.648 2.265 ( 4.567 5.386 0.831) 7.110 2.296 ( 3.331 4.673 2.201) 6.147 2.429 ( -1.167 4.077 -3.065) 5.232 2.460 ( -0.794 2.523 -2.191) 3.434 2.521 ( 1.289 2.730 0.489) 3.058 2.579 ( -2.076 2.132 -1.053) 3.157 2.704 ( 3.239 6.727 -1.017) 7.536 2.768 ( -3.208 4.367 0.071) 5.419 2.911 ( 0.352 3.732 -1.695) 4.113 2.943 ( -2.433 1.725 0.071) 2.983 3.007 ( 5.043 0.988 0.424) 5.156 3.145 ( -7.803 1.148 -2.347) 8.229 3.431 ( 0.751 -1.301 -2.777) 3.157 3.468 ( -2.756 -2.676 -1.650) 4.181 3.827 ( 7.848 5.432 -4.157) 10.410 3.903 ( 0.831 4.185 -4.639) 6.302 4.048 ( 10.091 1.404 2.095) 10.402 4.201 ( 5.407 2.294 -0.313) 5.882 4.244 ( -5.838 5.721 -0.570) 8.193 4.310 ( -2.746 2.657 -0.001) 3.821 4.466 ( -0.984 0.044 -0.654) 1.182 4.500 ( -2.185 -0.196 -0.752) 2.319 4.912 ( 6.815 11.975 -7.596) 15.733 5.000 ( -1.632 9.722 -7.348) 12.295 5.344 ( 4.400 -2.575 4.952) 7.107 5.354 ( 3.091 -2.566 1.990) 4.484 5.614 ( 2.957 6.024 -0.601) 6.737 5.693 ( -1.723 6.594 0.825) 6.865 5.771 ( 6.040 0.688 -0.142) 6.081 5.880 ( -2.585 -0.413 0.506) 2.666 6.048 ( 4.770 -0.131 -3.425) 5.874 6.100 ( -0.643 -0.186 -3.707) 3.767 6.286 ( 4.363 -0.540 1.833) 4.763 6.359 ( -3.014 -2.285 3.027) 4.845 6.585 ( 8.913 -0.977 1.292) 9.059 6.677 ( -0.783 -2.095 -0.551) 2.303 6.834 ( 4.354 2.771 -1.494) 5.373 6.923 ( -3.436 3.029 -2.724) 5.329 6.955 ( 8.807 -1.588 0.617) 8.971 7.126 ( -6.028 -3.867 2.539) 7.598 7.316 ( 7.962 -2.970 8.280) 11.865 7.471 ( -6.010 -6.189 9.368) 12.735 7.594 ( 7.319 1.288 5.641) 9.330 7.641 ( 2.285 -1.256 11.126) 11.427 7.759 ( 4.089 -1.027 2.247) 4.777 8.026 ( -17.150 -8.637 -0.284) 19.204 9.001 ( 5.367 5.040 0.179) 7.365 9.086 ( -3.530 2.614 0.679) 4.445 9.311 ( 5.788 10.654 -0.741) 12.147 9.430 ( -5.832 7.257 -2.340) 9.599 10.316 ( 11.572 0.554 -8.710) 14.494 10.427 ( 9.039 -4.791 -9.430) 13.913 10.548 ( -8.897 -2.637 -9.391) 13.202 10.652 ( -10.194 -7.479 -9.204) 15.638 11.437 ( 1.581 -1.253 4.246) 4.700 11.478 ( -2.463 -1.514 3.109) 4.246 11.826 ( 2.620 4.611 1.844) 5.615 11.891 ( -4.423 2.260 0.906) 5.049 12.490 ( 1.507 -2.348 1.879) 3.363 12.512 ( -0.561 -2.114 2.459) 3.291 13.007 ( 5.614 -5.906 7.202) 10.875 13.131 ( -6.641 -8.377 7.394) 12.998 13.295 ( 3.263 -7.663 -0.081) 8.330 13.341 ( -1.616 -7.393 -0.848) 7.615 13.781 ( 5.867 1.713 -2.482) 6.596 13.884 ( -4.857 -1.005 -3.791) 6.243 20.159 ( 5.371 3.838 -1.043) 6.683 20.187 ( 3.600 4.664 -2.218) 6.295 20.260 ( 0.562 2.040 -1.078) 2.375 20.294 ( -0.665 3.386 -1.444) 3.741 20.571 ( 1.262 0.803 1.628) 2.211 20.643 ( -4.240 -1.400 2.257) 5.003 20.717 ( 2.801 -3.949 0.515) 4.869 20.811 ( -5.595 -4.978 -0.690) 7.521 21.350 ( 8.249 2.614 2.482) 9.002 21.433 ( 5.811 2.473 0.672) 6.351 21.552 ( -7.771 2.787 0.211) 8.258 21.646 ( -11.702 2.435 -1.304) 12.023 22.472 ( 4.324 11.855 1.885) 12.759 22.549 ( -3.501 12.629 0.276) 13.109 23.322 ( 4.221 -12.961 -0.966) 13.665 23.378 ( -1.659 -12.077 -2.061) 12.363 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.000 18.739 11.312) 21.889 1.686 ( 0.000 20.350 3.623) 20.670 1.916 ( 0.000 -13.193 8.064) 15.462 2.071 ( 0.000 -12.267 -0.408) 12.274 2.275 ( 0.000 1.086 -5.023) 5.139 2.280 ( 0.000 -1.238 -2.979) 3.226 2.422 ( 0.000 2.239 -6.414) 6.794 2.491 ( 0.000 -3.652 -4.319) 5.656 2.639 ( 0.000 3.515 -0.525) 3.554 2.689 ( 0.000 -1.780 0.437) 1.833 3.015 ( 0.000 18.462 10.604) 21.290 3.080 ( 0.000 4.960 -3.256) 5.933 3.183 ( 0.000 2.043 -3.257) 3.845 3.336 ( 0.000 -7.498 3.294) 8.190 3.381 ( 0.000 1.849 0.068) 1.850 3.417 ( 0.000 -1.251 1.708) 2.117 3.534 ( 0.000 5.706 -0.180) 5.709 3.664 ( 0.000 -2.109 0.955) 2.315 3.848 ( 0.000 2.009 0.169) 2.016 3.919 ( 0.000 -3.970 -1.803) 4.360 4.099 ( 0.000 7.759 3.208) 8.396 4.253 ( 0.000 -2.867 7.506) 8.035 4.299 ( 0.000 7.633 8.721) 11.590 4.469 ( 0.000 0.370 4.949) 4.962 4.536 ( 0.000 -0.619 5.924) 5.957 4.626 ( 0.000 -2.211 2.809) 3.575 4.923 ( 0.000 7.805 3.310) 8.477 5.036 ( 0.000 -0.286 -3.843) 3.854 5.119 ( 0.000 2.187 -0.706) 2.298 5.170 ( 0.000 5.375 -0.340) 5.386 5.212 ( 0.000 -1.535 -4.190) 4.463 5.390 ( 0.000 -13.538 -3.785) 14.057 5.846 ( 0.000 6.891 -3.730) 7.836 5.931 ( 0.000 -0.524 -0.916) 1.055 6.168 ( 0.000 3.308 -3.903) 5.116 6.217 ( 0.000 0.857 -2.279) 2.435 6.285 ( 0.000 0.725 -0.278) 0.777 6.362 ( 0.000 -3.419 -0.987) 3.559 6.497 ( 0.000 -2.023 -1.337) 2.424 6.556 ( 0.000 -6.151 3.848) 7.256 6.946 ( 0.000 5.836 -8.661) 10.444 7.000 ( 0.000 -0.130 -6.260) 6.261 7.315 ( 0.000 -2.843 3.403) 4.434 7.373 ( 0.000 -9.028 4.177) 9.947 7.766 ( 0.000 13.067 -9.036) 15.887 7.991 ( 0.000 -0.182 -5.638) 5.641 8.021 ( 0.000 -3.771 -7.719) 8.591 8.138 ( 0.000 -7.254 -4.475) 8.523 8.782 ( 0.000 8.442 8.186) 11.759 8.897 ( 0.000 -0.533 8.212) 8.229 9.054 ( 0.000 -2.261 -0.945) 2.450 9.141 ( 0.000 -8.955 2.456) 9.286 9.865 ( 0.000 1.407 0.515) 1.499 9.938 ( 0.000 -6.785 -0.490) 6.803 11.012 ( 0.000 4.381 0.461) 4.405 11.115 ( 0.000 -5.217 -1.591) 5.454 11.336 ( 0.000 2.594 1.128) 2.828 11.376 ( 0.000 -0.966 2.024) 2.243 12.204 ( 0.000 4.037 -6.899) 7.993 12.272 ( 0.000 -2.035 -6.607) 6.913 12.501 ( 0.000 4.327 3.097) 5.321 12.612 ( 0.000 -6.399 5.359) 8.347 12.812 ( 0.000 0.698 0.839) 1.091 12.890 ( 0.000 -6.203 -3.526) 7.135 13.205 ( 0.000 7.268 -1.904) 7.513 13.318 ( 0.000 -3.626 -1.770) 4.036 13.824 ( 0.000 2.715 5.605) 6.228 13.929 ( 0.000 -7.724 5.715) 9.608 19.805 ( 0.000 2.519 -0.874) 2.666 19.838 ( 0.000 -0.611 -2.323) 2.402 20.033 ( 0.000 2.656 2.601) 3.717 20.072 ( 0.000 -1.217 2.177) 2.494 20.604 ( 0.000 2.726 0.413) 2.757 20.648 ( 0.000 -1.630 2.174) 2.717 20.898 ( 0.000 3.955 -6.024) 7.206 20.965 ( 0.000 -2.932 -3.389) 4.481 21.431 ( 0.000 5.450 4.667) 7.175 21.522 ( 0.000 -3.158 5.054) 5.960 21.803 ( 0.000 5.710 0.327) 5.720 21.955 ( 0.000 -8.289 -1.256) 8.384 22.666 ( 0.000 7.223 1.439) 7.365 22.811 ( 0.000 -6.753 4.115) 7.908 22.931 ( 0.000 11.318 -3.109) 11.738 23.165 ( 0.000 -11.277 -4.059) 11.985 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 11.563 14.560 9.399) 20.833 1.766 ( 7.903 18.663 3.853) 20.631 1.958 ( 4.162 -9.865 6.513) 12.533 2.106 ( 3.416 -9.851 1.355) 10.514 2.263 ( 0.787 0.690 -4.667) 4.783 2.322 ( 2.503 -3.550 -3.928) 5.856 2.484 ( 5.522 3.076 -5.677) 8.496 2.538 ( 4.152 -2.285 -3.068) 5.646 2.647 ( 0.675 3.170 -0.471) 3.275 2.707 ( 2.173 -2.801 0.292) 3.557 3.021 ( -0.204 12.159 3.228) 12.582 3.083 ( 0.887 6.260 -0.826) 6.376 3.182 ( -0.160 4.237 -1.967) 4.674 3.343 ( 0.614 -5.867 4.256) 7.274 3.407 ( 2.027 1.056 0.522) 2.344 3.442 ( 2.061 -1.479 0.412) 2.570 3.541 ( 1.141 7.141 0.932) 7.291 3.682 ( 1.939 -2.834 1.134) 3.616 3.859 ( 0.817 3.528 -0.523) 3.659 3.939 ( 2.248 -3.024 -1.966) 4.250 4.112 ( 0.962 7.537 3.961) 8.568 4.253 ( 2.748 -1.853 3.710) 4.975 4.387 ( 5.837 4.012 6.452) 9.582 4.502 ( 2.713 0.809 1.483) 3.196 4.590 ( 6.283 1.008 6.767) 9.289 4.701 ( 7.717 -4.514 5.180) 10.332 4.938 ( 2.030 8.432 3.974) 9.540 5.080 ( 2.414 -4.946 1.107) 5.614 5.161 ( 7.991 4.667 -5.003) 10.520 5.249 ( 6.952 -0.880 -3.927) 8.033 5.318 ( 9.690 4.571 -1.383) 10.803 5.476 ( 7.868 -9.597 -3.694) 12.948 5.894 ( 4.642 7.495 -2.651) 9.206 6.002 ( 6.472 -2.280 0.881) 6.918 6.210 ( 3.292 5.611 -5.247) 8.358 6.266 ( 4.720 1.122 -4.271) 6.464 6.305 ( 2.522 -0.347 -1.277) 2.848 6.378 ( 0.722 -3.646 -3.344) 5.000 6.540 ( 4.380 -1.967 -0.110) 4.803 6.593 ( 4.402 -4.294 5.720) 8.399 6.893 ( -4.333 4.098 -4.716) 7.603 6.972 ( -2.233 -0.804 -3.542) 4.264 7.205 ( -9.620 -0.006 3.960) 10.404 7.318 ( -3.864 -9.118 2.949) 10.333 7.781 ( 0.134 10.692 -5.547) 12.046 7.915 ( -4.444 1.328 -3.093) 5.575 8.037 ( -1.865 -3.075 -6.638) 7.550 8.158 ( 0.267 -11.062 -5.470) 12.343 8.845 ( 5.791 7.063 5.985) 10.920 8.938 ( 4.720 -1.475 7.147) 8.691 9.080 ( 4.437 4.353 -0.105) 6.217 9.239 ( 7.857 -10.432 0.033) 13.060 9.873 ( 1.182 1.877 -0.296) 2.238 9.956 ( 1.997 -6.824 -1.670) 7.304 10.973 ( -3.935 4.432 -1.422) 6.095 11.076 ( -4.519 -4.445 -3.069) 7.042 11.352 ( 2.007 2.525 2.263) 3.941 11.417 ( 3.331 -2.864 2.623) 5.116 12.128 ( -6.807 6.142 -5.463) 10.673 12.237 ( -4.338 -4.151 -5.530) 8.163 12.448 ( -4.125 3.447 4.212) 6.830 12.541 ( -4.438 -4.693 5.037) 8.191 12.849 ( 2.495 1.836 -0.001) 3.097 12.941 ( 3.579 -6.124 -1.823) 7.323 13.198 ( -0.490 4.238 1.117) 4.410 13.298 ( -1.817 -4.478 -1.302) 5.005 13.801 ( -1.646 5.461 4.365) 7.182 13.940 ( 0.336 -8.039 1.949) 8.279 19.842 ( 3.767 2.750 -0.733) 4.721 19.879 ( 4.028 -0.790 -2.189) 4.652 20.072 ( 3.809 2.270 1.793) 4.783 20.107 ( 3.427 -1.247 1.518) 3.950 20.617 ( 1.205 3.333 0.473) 3.575 20.673 ( 2.145 -2.042 2.535) 3.898 20.874 ( -2.024 4.517 -5.884) 7.689 20.950 ( -1.372 -3.241 -3.312) 4.833 21.369 ( -5.354 4.397 6.392) 9.426 21.450 ( -6.421 -3.580 5.373) 9.105 21.866 ( 4.557 5.661 -1.277) 7.379 21.998 ( 3.321 -6.765 -2.595) 7.970 22.627 ( -3.489 8.288 2.632) 9.370 22.788 ( -1.892 -6.730 4.133) 8.121 22.944 ( 1.177 9.525 -3.281) 10.142 23.164 ( -0.071 -11.003 -4.152) 11.761 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 11.634 12.605 4.809) 17.815 1.958 ( 11.449 8.752 4.885) 15.216 2.066 ( 6.811 -2.268 4.455) 8.449 2.185 ( 4.194 -5.038 3.016) 7.215 2.302 ( 3.026 -0.669 -3.604) 4.753 2.377 ( 3.314 -5.050 -3.847) 7.162 2.564 ( 1.738 3.159 -2.400) 4.332 2.617 ( 1.712 -2.057 -1.131) 2.906 2.678 ( 4.484 5.467 -1.069) 7.151 2.771 ( 4.107 -3.425 -0.404) 5.363 2.998 ( -1.898 6.615 -4.486) 8.215 3.078 ( -2.144 -0.302 -3.475) 4.094 3.198 ( 0.664 10.129 2.325) 10.414 3.337 ( -1.981 -2.454 1.407) 3.454 3.427 ( 0.477 -0.084 -0.402) 0.629 3.473 ( 1.076 -3.283 1.076) 3.619 3.615 ( 6.803 7.897 2.070) 10.627 3.736 ( 3.411 -2.527 1.387) 4.466 3.885 ( 2.735 7.133 -0.906) 7.693 4.011 ( 5.277 -4.010 -3.070) 7.305 4.134 ( 1.845 8.158 5.362) 9.935 4.323 ( 2.470 -8.548 4.230) 9.852 4.496 ( 5.754 5.994 -2.243) 8.606 4.580 ( 4.630 -0.200 -3.681) 5.918 4.758 ( 9.804 4.673 3.648) 11.457 4.861 ( 7.901 -4.341 3.574) 9.698 5.039 ( 8.633 6.141 5.751) 12.055 5.144 ( 4.996 -3.457 4.314) 7.451 5.366 ( 11.794 3.627 -4.436) 13.112 5.443 ( 11.912 -3.382 -5.842) 13.692 5.525 ( 11.410 6.770 -0.558) 13.279 5.654 ( 9.992 -5.694 -3.189) 11.935 5.991 ( 4.294 7.597 -1.474) 8.850 6.119 ( 4.136 -4.128 1.826) 6.123 6.267 ( 0.422 6.331 -7.190) 9.590 6.295 ( 2.005 5.428 -4.307) 7.213 6.374 ( 0.446 -2.868 -3.885) 4.850 6.448 ( 7.646 -6.321 -2.947) 10.349 6.647 ( 6.604 1.125 1.313) 6.826 6.723 ( 8.068 -2.759 6.201) 10.543 6.841 ( 0.644 2.901 3.345) 4.475 6.956 ( 0.873 -6.735 3.495) 7.638 7.068 ( -1.294 7.715 3.050) 8.396 7.262 ( -1.587 -10.496 2.208) 10.842 7.732 ( -5.511 7.506 1.040) 9.370 7.836 ( -4.424 0.746 -0.168) 4.490 7.934 ( -7.548 0.705 -2.333) 7.932 8.126 ( -3.019 -14.342 -5.084) 15.513 8.957 ( 5.062 6.565 3.670) 9.066 9.049 ( 4.997 -2.480 3.945) 6.833 9.230 ( 10.381 8.485 -1.264) 13.467 9.400 ( 8.231 -8.116 -2.301) 11.786 9.928 ( 5.144 2.683 -3.154) 6.604 10.024 ( 5.317 -6.459 -4.888) 9.689 10.864 ( -7.395 2.742 -5.606) 9.677 10.939 ( -9.343 -3.325 -5.999) 11.590 11.396 ( 2.049 1.916 3.924) 4.824 11.474 ( 2.087 -4.533 4.445) 6.683 11.994 ( -5.924 8.022 -1.683) 10.113 12.115 ( -7.310 -3.841 -3.374) 8.920 12.400 ( -0.667 1.365 4.315) 4.575 12.476 ( -2.263 -4.259 5.621) 7.406 12.888 ( 1.464 3.179 0.149) 3.503 12.995 ( 2.033 -6.080 2.380) 6.839 13.190 ( -0.392 0.379 3.076) 3.124 13.264 ( -1.556 -5.747 0.828) 6.011 13.780 ( -0.433 7.681 -0.528) 7.711 13.929 ( -1.412 -7.082 -2.909) 7.785 19.943 ( 6.579 2.846 -0.395) 7.179 19.980 ( 6.308 -0.709 -1.567) 6.538 20.165 ( 5.462 1.329 0.055) 5.621 20.187 ( 4.417 -0.851 0.190) 4.502 20.633 ( -0.039 4.019 0.822) 4.102 20.700 ( -0.192 -2.209 2.287) 3.185 20.845 ( -0.895 4.274 -5.013) 6.649 20.920 ( -2.012 -3.206 -3.122) 4.906 21.265 ( -4.411 2.422 7.423) 8.968 21.325 ( -5.130 -3.552 5.859) 8.559 21.910 ( -1.050 6.033 -2.522) 6.623 22.020 ( -2.522 -4.506 -4.028) 6.549 22.575 ( -0.644 10.516 4.209) 11.345 22.767 ( 0.255 -5.865 3.193) 6.682 22.970 ( 1.589 5.518 -2.852) 6.412 23.164 ( 0.087 -10.899 -3.968) 11.599 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 8.256 9.176 2.561) 12.606 2.168 ( 7.791 4.283 3.583) 9.586 2.200 ( 7.481 0.777 2.150) 7.823 2.261 ( 4.517 -2.020 2.622) 5.600 2.376 ( 4.767 0.394 -2.063) 5.209 2.441 ( 2.656 -3.703 -1.375) 4.760 2.578 ( 0.598 0.932 0.629) 1.274 2.601 ( -1.867 -0.713 0.210) 2.010 2.782 ( 4.747 6.170 -2.461) 8.165 2.853 ( 4.078 -0.759 -1.700) 4.483 2.954 ( -2.187 5.404 -5.758) 8.194 3.019 ( -3.648 -0.673 -2.350) 4.391 3.155 ( -4.285 7.972 2.282) 9.334 3.268 ( -5.148 -2.732 0.074) 5.828 3.423 ( -1.146 0.005 -1.871) 2.194 3.470 ( -2.130 -3.041 -0.048) 3.713 3.779 ( 9.305 5.440 -0.398) 10.786 3.836 ( 8.128 -0.308 -0.032) 8.133 3.966 ( 4.599 7.135 -1.512) 8.622 4.112 ( 3.934 -4.533 -4.265) 7.363 4.211 ( 6.838 4.672 6.291) 10.400 4.337 ( -0.391 -6.760 4.391) 8.071 4.561 ( 0.061 4.452 -4.078) 6.038 4.605 ( -2.910 0.784 -5.160) 5.976 4.944 ( 9.759 6.445 -2.309) 11.921 5.021 ( 8.377 -1.043 -0.682) 8.470 5.211 ( 7.811 2.197 4.178) 9.127 5.251 ( 4.859 -1.318 1.458) 5.241 5.587 ( 10.665 3.382 -2.455) 11.454 5.647 ( 8.858 -0.823 -3.410) 9.527 5.724 ( 8.129 4.406 -1.036) 9.304 5.821 ( 6.258 -3.712 -1.703) 7.473 6.042 ( 1.612 6.061 -1.568) 6.465 6.126 ( -2.109 -1.192 -2.373) 3.392 6.251 ( -0.663 2.822 -5.731) 6.422 6.323 ( -0.970 -3.364 -3.209) 4.749 6.442 ( 7.510 3.337 3.694) 9.010 6.545 ( 3.998 -6.871 -0.242) 7.953 6.803 ( 7.680 1.827 3.415) 8.601 6.827 ( 4.669 1.325 7.417) 8.864 6.938 ( 4.608 2.207 1.496) 5.324 7.006 ( 4.672 -4.029 3.053) 6.883 7.182 ( 10.041 1.540 2.864) 10.555 7.279 ( 4.150 -7.261 3.554) 9.088 7.590 ( -7.537 4.047 7.792) 11.571 7.685 ( -9.628 -4.521 5.195) 11.837 7.850 ( -1.920 7.263 -0.148) 7.514 8.047 ( -5.801 -12.061 -2.377) 13.593 9.030 ( 2.981 5.684 2.715) 6.969 9.107 ( 1.359 -2.110 2.871) 3.814 9.409 ( 6.868 8.222 -2.667) 11.040 9.519 ( 3.526 -2.601 -3.358) 5.520 10.080 ( 10.501 1.867 -7.313) 12.932 10.162 ( 8.839 -5.209 -8.988) 13.640 10.697 ( -9.712 0.277 -9.593) 13.653 10.741 ( -10.805 -3.671 -9.060) 14.571 11.425 ( 1.252 2.298 6.114) 6.650 11.492 ( 0.041 -2.978 6.706) 7.337 11.915 ( -2.829 5.308 -0.445) 6.032 11.984 ( -6.058 -1.995 -3.030) 7.061 12.413 ( 1.841 -0.004 5.135) 5.455 12.462 ( 0.822 -3.140 8.032) 8.663 12.904 ( 0.244 1.971 3.016) 3.611 13.012 ( -0.682 -7.978 4.921) 9.399 13.188 ( 0.512 0.014 2.788) 2.835 13.242 ( -0.592 -5.030 1.217) 5.209 13.787 ( 1.163 5.834 -4.623) 7.534 13.894 ( -2.005 -4.810 -5.735) 7.749 20.085 ( 7.909 2.599 -0.075) 8.325 20.113 ( 7.450 -0.015 -0.971) 7.513 20.260 ( 3.564 0.737 -1.016) 3.779 20.269 ( 4.475 -0.025 -0.836) 4.553 20.615 ( -1.310 2.669 1.149) 3.188 20.664 ( -2.985 -1.584 1.013) 3.527 20.792 ( -5.683 2.454 -1.303) 6.326 20.847 ( -5.892 -3.032 -2.031) 6.930 21.257 ( 4.403 2.181 5.038) 7.038 21.308 ( 3.851 -2.558 3.916) 6.059 21.815 ( -8.354 5.074 -1.778) 9.935 21.889 ( -10.333 -1.940 -2.838) 10.890 22.618 ( 4.473 11.761 3.441) 13.045 22.788 ( 1.064 0.791 1.495) 1.998 23.011 ( 2.846 -2.223 -1.895) 4.078 23.162 ( -0.576 -11.332 -3.293) 11.815 ======================= Grid point 94 (40/60) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 2.667 4.033 2.451) 5.420 2.227 ( 0.731 2.642 2.647) 3.811 2.332 ( 4.831 2.030 0.646) 5.280 2.355 ( 3.069 0.607 1.372) 3.416 2.467 ( 1.461 0.342 -0.832) 1.715 2.470 ( 2.573 -0.285 -0.885) 2.736 2.561 ( -0.074 1.836 0.773) 1.993 2.596 ( -0.980 -1.126 -0.312) 1.525 2.846 ( 2.606 5.882 -3.003) 7.100 2.888 ( -0.966 4.480 -2.039) 5.017 2.952 ( 1.066 -0.177 -5.037) 5.152 2.970 ( -0.657 1.116 -2.576) 2.884 3.089 ( -0.683 6.240 4.013) 7.450 3.156 ( -5.868 -0.174 1.904) 6.171 3.395 ( -0.821 -1.766 -1.299) 2.341 3.414 ( -2.668 -2.834 -0.571) 3.933 3.935 ( 6.544 5.040 -4.693) 9.500 4.010 ( -0.815 5.872 -3.971) 7.136 4.023 ( 9.600 -2.675 -2.423) 10.256 4.146 ( -1.809 -5.957 -3.482) 7.133 4.332 ( 3.877 3.161 3.527) 6.121 4.364 ( 4.687 0.564 3.818) 6.072 4.493 ( -5.733 2.579 -1.643) 6.497 4.516 ( -4.745 0.488 -1.355) 4.959 5.109 ( 6.543 6.968 -6.177) 11.380 5.145 ( 3.387 3.824 -5.151) 7.255 5.295 ( 1.051 -1.968 -0.134) 2.235 5.303 ( 0.669 -2.429 0.662) 2.605 5.737 ( 4.856 4.948 -1.688) 7.135 5.779 ( 3.012 1.202 -2.540) 4.120 5.813 ( 2.830 3.496 0.129) 4.500 5.866 ( -1.094 -1.356 0.772) 1.906 6.078 ( 2.957 3.459 -2.669) 5.275 6.116 ( -0.056 1.405 -1.890) 2.355 6.245 ( 0.461 -2.897 -2.994) 4.191 6.282 ( -2.668 -5.329 -2.242) 6.367 6.605 ( 7.301 2.016 4.616) 8.870 6.631 ( 4.039 -1.332 2.515) 4.940 6.867 ( 0.943 0.969 1.333) 1.899 6.905 ( -1.208 -2.186 1.748) 3.048 6.997 ( 4.666 3.319 3.539) 6.732 7.067 ( 0.853 -2.784 6.308) 6.948 7.266 ( -0.290 -0.238 3.307) 3.328 7.334 ( -4.064 -6.277 5.271) 9.149 7.601 ( 10.177 0.879 8.571) 13.334 7.627 ( 5.470 -1.084 7.684) 9.494 7.796 ( -4.049 3.460 2.689) 5.966 7.885 ( -10.929 -5.698 1.230) 12.386 9.084 ( 2.532 3.177 2.114) 4.580 9.114 ( -0.501 0.150 2.617) 2.669 9.489 ( 2.571 6.192 -3.428) 7.530 9.532 ( -1.579 1.980 -3.466) 4.292 10.303 ( 11.951 -0.263 -10.435) 15.868 10.342 ( 9.569 -3.551 -11.307) 15.232 10.511 ( -9.631 -0.889 -11.955) 15.378 10.535 ( -10.718 -3.602 -10.806) 15.640 11.453 ( 1.718 2.467 8.082) 8.623 11.483 ( -1.054 0.408 8.201) 8.279 11.876 ( -0.922 0.617 -1.702) 2.031 11.895 ( -3.000 -1.246 -2.911) 4.362 12.459 ( 2.445 0.357 7.519) 7.915 12.483 ( 0.341 -1.078 9.094) 9.164 12.913 ( 1.355 -2.250 4.694) 5.379 12.965 ( -3.548 -6.963 5.589) 9.608 13.213 ( 1.651 -0.993 1.666) 2.547 13.235 ( -0.533 -3.101 1.068) 3.323 13.818 ( 1.922 1.969 -6.313) 6.886 13.856 ( -1.980 -1.756 -6.626) 7.135 20.226 ( 6.105 2.722 -0.403) 6.697 20.253 ( 6.473 0.761 -0.925) 6.583 20.294 ( -0.377 2.114 -0.993) 2.366 20.325 ( 0.246 -0.279 -0.795) 0.878 20.597 ( -0.556 1.338 0.913) 1.713 20.621 ( -0.742 -1.019 1.314) 1.821 20.671 ( -4.154 0.143 0.555) 4.193 20.720 ( -6.249 -3.968 -0.697) 7.435 21.407 ( 10.184 2.883 1.922) 10.757 21.449 ( 9.892 -0.923 0.984) 9.984 21.620 ( -11.202 3.536 -0.220) 11.749 21.666 ( -12.063 -0.689 -1.009) 12.125 22.712 ( 4.711 11.549 2.117) 12.651 22.780 ( -2.102 8.632 1.211) 8.967 23.076 ( 3.641 -9.390 -1.762) 10.224 23.135 ( -2.275 -11.447 -2.437) 11.923 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.000 0.000 26.928) 26.928 1.247 ( 0.000 0.000 26.775) 26.775 1.665 ( 0.000 0.000 -22.897) 22.897 1.742 ( 0.000 0.000 -21.536) 21.536 2.051 ( 0.000 0.000 15.406) 15.406 2.232 ( 0.000 0.000 -6.276) 6.276 2.340 ( 0.000 0.000 35.903) 35.903 2.658 ( 0.000 0.000 1.547) 1.547 2.660 ( 0.000 0.000 1.118) 1.118 2.780 ( 0.000 0.000 -0.174) 0.174 2.795 ( 0.000 0.000 -0.939) 0.939 2.928 ( 0.000 0.000 -6.160) 6.160 3.080 ( 0.000 0.000 -10.353) 10.353 3.093 ( 0.000 0.000 -1.558) 1.558 3.326 ( 0.000 0.000 3.683) 3.683 3.372 ( 0.000 0.000 -0.868) 0.868 3.405 ( 0.000 0.000 2.472) 2.472 3.477 ( 0.000 0.000 -3.901) 3.901 3.755 ( 0.000 0.000 -0.821) 0.821 3.815 ( 0.000 0.000 -6.461) 6.461 3.900 ( 0.000 0.000 -0.060) 0.060 3.901 ( 0.000 0.000 0.202) 0.202 4.231 ( 0.000 0.000 9.072) 9.072 4.290 ( 0.000 0.000 14.075) 14.075 4.452 ( 0.000 0.000 -4.357) 4.357 4.660 ( 0.000 0.000 -11.297) 11.297 4.845 ( 0.000 0.000 0.367) 0.367 4.847 ( 0.000 0.000 0.373) 0.373 5.242 ( 0.000 0.000 17.758) 17.758 5.368 ( 0.000 0.000 0.723) 0.723 5.396 ( 0.000 0.000 11.216) 11.216 5.448 ( 0.000 0.000 -5.359) 5.359 5.590 ( 0.000 0.000 -3.703) 3.703 5.612 ( 0.000 0.000 -16.245) 16.245 5.993 ( 0.000 0.000 6.269) 6.269 6.089 ( 0.000 0.000 -1.471) 1.471 6.366 ( 0.000 0.000 -0.716) 0.716 6.409 ( 0.000 0.000 -1.480) 1.480 6.694 ( 0.000 0.000 4.920) 4.920 6.798 ( 0.000 0.000 -4.784) 4.784 6.886 ( 0.000 0.000 -7.937) 7.937 6.940 ( 0.000 0.000 -10.973) 10.973 7.117 ( 0.000 0.000 6.347) 6.347 7.304 ( 0.000 0.000 -12.284) 12.284 7.875 ( 0.000 0.000 4.959) 4.959 7.964 ( 0.000 0.000 -3.172) 3.172 8.131 ( 0.000 0.000 3.301) 3.301 8.196 ( 0.000 0.000 -2.773) 2.773 8.801 ( 0.000 0.000 15.856) 15.856 9.113 ( 0.000 0.000 -12.966) 12.966 9.445 ( 0.000 0.000 2.849) 2.849 9.480 ( 0.000 0.000 -0.838) 0.838 10.099 ( 0.000 0.000 10.863) 10.863 10.338 ( 0.000 0.000 -11.708) 11.708 10.871 ( 0.000 0.000 3.276) 3.276 10.954 ( 0.000 0.000 -4.486) 4.486 11.304 ( 0.000 0.000 6.004) 6.004 11.415 ( 0.000 0.000 -4.591) 4.591 11.810 ( 0.000 0.000 7.810) 7.810 11.967 ( 0.000 0.000 -7.130) 7.130 12.583 ( 0.000 0.000 8.525) 8.525 12.734 ( 0.000 0.000 -5.777) 5.777 13.030 ( 0.000 0.000 0.603) 0.603 13.056 ( 0.000 0.000 -2.205) 2.205 13.238 ( 0.000 0.000 1.057) 1.057 13.276 ( 0.000 0.000 -2.722) 2.722 14.092 ( 0.000 0.000 19.100) 19.100 14.457 ( 0.000 0.000 -15.906) 15.906 19.702 ( 0.000 0.000 2.119) 2.119 19.755 ( 0.000 0.000 -2.972) 2.972 19.865 ( 0.000 0.000 0.720) 0.720 19.876 ( 0.000 0.000 -0.263) 0.263 20.414 ( 0.000 0.000 2.920) 2.920 20.476 ( 0.000 0.000 -3.091) 3.091 20.837 ( 0.000 0.000 5.924) 5.924 20.957 ( 0.000 0.000 -5.558) 5.558 21.274 ( 0.000 0.000 6.352) 6.352 21.389 ( 0.000 0.000 -4.638) 4.638 22.168 ( 0.000 0.000 2.732) 2.732 22.223 ( 0.000 0.000 -2.523) 2.523 22.308 ( 0.000 0.000 6.420) 6.420 22.459 ( 0.000 0.000 -7.952) 7.952 23.416 ( 0.000 0.000 4.932) 4.932 23.513 ( 0.000 0.000 -4.426) 4.426 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 6.723 0.000 23.859) 24.788 1.428 ( 15.592 0.000 21.383) 26.464 1.688 ( 2.326 0.000 -20.664) 20.795 1.836 ( 8.308 0.000 -17.431) 19.310 2.110 ( 4.798 0.000 8.662) 9.902 2.248 ( 1.213 0.000 -5.385) 5.520 2.439 ( 10.156 0.000 33.292) 34.806 2.612 ( -3.426 0.000 2.705) 4.365 2.649 ( -1.908 0.000 -1.153) 2.229 2.771 ( -0.756 0.000 1.164) 1.388 2.795 ( -0.313 0.000 -0.443) 0.542 2.938 ( 0.633 0.000 -3.646) 3.701 3.064 ( -0.857 0.000 -2.015) 2.190 3.131 ( 2.530 0.000 -7.925) 8.319 3.315 ( -0.046 0.000 2.645) 2.645 3.391 ( -0.047 0.000 -4.139) 4.139 3.485 ( 7.035 0.000 3.411) 7.819 3.562 ( 9.543 0.000 -3.644) 10.215 3.720 ( -2.300 0.000 3.390) 4.097 3.826 ( 0.796 0.000 -6.040) 6.092 3.932 ( 3.326 0.000 0.453) 3.357 3.954 ( 4.473 0.000 -2.081) 4.933 4.224 ( 1.607 0.000 9.763) 9.894 4.365 ( 4.977 0.000 3.191) 5.912 4.487 ( 2.817 0.000 -0.760) 2.917 4.659 ( -0.828 0.000 -8.784) 8.823 4.862 ( 3.303 0.000 -0.966) 3.442 4.888 ( 4.388 0.000 -1.632) 4.681 5.242 ( 3.213 0.000 12.227) 12.642 5.388 ( 4.936 0.000 -1.263) 5.096 5.511 ( 4.957 0.000 3.434) 6.030 5.583 ( 12.729 0.000 5.644) 13.924 5.628 ( 7.279 0.000 -4.930) 8.791 5.756 ( 11.375 0.000 -4.825) 12.356 6.003 ( 0.653 0.000 4.242) 4.292 6.084 ( 0.060 0.000 -1.551) 1.552 6.353 ( -1.322 0.000 1.107) 1.725 6.404 ( 0.850 0.000 -2.659) 2.792 6.705 ( 0.803 0.000 1.816) 1.986 6.819 ( -0.673 0.000 -5.859) 5.897 6.853 ( -1.761 0.000 -2.872) 3.369 6.935 ( 2.021 0.000 -7.680) 7.941 7.236 ( 8.744 0.000 -0.301) 8.749 7.294 ( 0.379 0.000 -5.710) 5.722 7.810 ( -4.550 0.000 3.343) 5.646 7.880 ( -4.925 0.000 -3.210) 5.879 8.261 ( 8.861 0.000 2.875) 9.316 8.295 ( 6.398 0.000 1.111) 6.493 8.761 ( -1.573 0.000 13.197) 13.291 9.069 ( -5.217 0.000 -13.071) 14.074 9.352 ( -9.589 0.000 0.905) 9.631 9.397 ( -4.420 0.000 -1.878) 4.802 10.043 ( -3.681 0.000 13.943) 14.420 10.310 ( -3.005 0.000 -11.744) 12.122 10.889 ( 1.182 0.000 3.669) 3.855 10.973 ( 0.359 0.000 -4.116) 4.132 11.364 ( 4.796 0.000 5.625) 7.392 11.491 ( 5.628 0.000 -6.522) 8.615 11.781 ( -2.399 0.000 7.330) 7.713 11.935 ( -2.907 0.000 -7.097) 7.669 12.560 ( -1.825 0.000 6.459) 6.712 12.688 ( -3.747 0.000 -5.663) 6.791 13.062 ( 5.308 0.000 7.012) 8.794 13.192 ( 5.423 0.000 -3.447) 6.426 13.260 ( 4.774 0.000 -0.514) 4.802 13.281 ( 2.828 0.000 -4.455) 5.276 14.027 ( -6.228 0.000 17.094) 18.193 14.330 ( -11.291 0.000 -11.280) 15.960 19.757 ( 4.189 0.000 0.104) 4.191 19.782 ( 3.947 0.000 -2.277) 4.557 19.917 ( 4.508 0.000 1.229) 4.673 19.947 ( 6.394 0.000 -1.712) 6.619 20.416 ( 0.525 0.000 2.064) 2.130 20.466 ( -0.772 0.000 -2.831) 2.934 20.846 ( 0.846 0.000 5.821) 5.882 20.958 ( -0.051 0.000 -4.933) 4.933 21.316 ( 3.898 0.000 6.695) 7.747 21.433 ( 3.553 0.000 -4.363) 5.626 22.106 ( -6.831 0.000 2.559) 7.294 22.155 ( -7.585 0.000 -1.926) 7.826 22.269 ( -2.725 0.000 4.440) 5.210 22.380 ( -6.778 0.000 -5.803) 8.923 23.436 ( 2.119 0.000 4.093) 4.608 23.522 ( 1.047 0.000 -4.110) 4.241 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 10.910 0.000 17.348) 20.494 1.730 ( 11.796 0.000 3.007) 12.173 1.757 ( 7.692 0.000 -3.554) 8.474 2.005 ( 8.778 0.000 -9.808) 13.162 2.193 ( 3.380 0.000 1.844) 3.850 2.261 ( -0.127 0.000 -3.913) 3.915 2.516 ( -2.513 0.000 5.262) 5.832 2.599 ( -2.619 0.000 -3.610) 4.460 2.673 ( 4.708 0.000 9.790) 10.863 2.754 ( -1.502 0.000 0.095) 1.505 2.798 ( 3.451 0.000 7.394) 8.159 2.945 ( 0.411 0.000 1.057) 1.134 3.044 ( -1.352 0.000 0.728) 1.535 3.152 ( -1.090 0.000 -7.337) 7.418 3.358 ( 5.539 0.000 3.257) 6.426 3.409 ( 1.806 0.000 -1.481) 2.336 3.543 ( -2.135 0.000 5.279) 5.694 3.698 ( 2.027 0.000 -6.323) 6.640 3.759 ( 5.443 0.000 2.658) 6.057 3.875 ( 4.826 0.000 -4.598) 6.665 4.029 ( 6.576 0.000 1.416) 6.727 4.075 ( 9.611 0.000 -3.068) 10.089 4.281 ( 3.627 0.000 7.161) 8.027 4.459 ( 4.523 0.000 -6.944) 8.287 4.499 ( -2.185 0.000 1.711) 2.775 4.627 ( -2.280 0.000 -9.006) 9.290 4.976 ( 9.321 0.000 1.189) 9.397 5.046 ( 11.332 0.000 -3.456) 11.848 5.377 ( 9.129 0.000 9.074) 12.871 5.542 ( 9.032 0.000 -6.237) 10.976 5.659 ( 11.392 0.000 5.317) 12.571 5.744 ( 4.821 0.000 -2.818) 5.584 5.805 ( 6.149 0.000 12.812) 14.211 5.962 ( 6.273 0.000 0.183) 6.276 6.064 ( 10.500 0.000 3.443) 11.050 6.164 ( 9.130 0.000 -6.485) 11.198 6.348 ( 1.772 0.000 2.475) 3.044 6.458 ( 4.687 0.000 -4.720) 6.652 6.674 ( -4.349 0.000 1.040) 4.471 6.772 ( -2.966 0.000 -5.827) 6.539 6.853 ( 2.165 0.000 5.215) 5.647 7.029 ( 7.021 0.000 -10.820) 12.898 7.314 ( 2.664 0.000 4.593) 5.310 7.403 ( 5.592 0.000 -3.880) 6.806 7.746 ( -1.336 0.000 2.077) 2.470 7.803 ( -2.784 0.000 -3.587) 4.540 8.307 ( -3.899 0.000 15.076) 15.572 8.436 ( 8.551 0.000 1.792) 8.737 8.814 ( 4.943 0.000 -0.412) 4.960 8.937 ( -8.476 0.000 -9.486) 12.721 9.166 ( -6.837 0.000 6.371) 9.345 9.341 ( -2.842 0.000 -10.388) 10.769 10.008 ( 0.871 0.000 12.187) 12.219 10.253 ( -2.036 0.000 -10.818) 11.008 10.882 ( -2.948 0.000 3.135) 4.303 10.939 ( -3.559 0.000 -2.823) 4.543 11.437 ( 2.680 0.000 3.798) 4.649 11.555 ( 0.672 0.000 -7.414) 7.444 11.741 ( -1.627 0.000 6.619) 6.816 11.879 ( -2.752 0.000 -6.506) 7.064 12.522 ( -2.250 0.000 4.184) 4.750 12.616 ( -3.998 0.000 -4.608) 6.101 13.133 ( 2.456 0.000 6.801) 7.231 13.260 ( 2.890 0.000 -5.157) 5.912 13.369 ( 10.213 0.000 4.636) 11.216 13.473 ( 10.836 0.000 -5.529) 12.165 13.886 ( -7.670 0.000 13.643) 15.651 14.105 ( -10.880 0.000 -6.749) 12.803 19.844 ( 5.076 0.000 0.392) 5.091 19.885 ( 5.582 0.000 -3.825) 6.767 20.016 ( 5.140 0.000 2.294) 5.628 20.070 ( 5.717 0.000 -2.785) 6.360 20.452 ( 3.695 0.000 -0.195) 3.700 20.463 ( 1.035 0.000 -1.345) 1.697 20.862 ( 0.669 0.000 5.138) 5.182 20.951 ( -0.670 0.000 -3.499) 3.563 21.395 ( 3.500 0.000 6.227) 7.143 21.477 ( 0.288 0.000 -1.095) 1.132 21.903 ( -13.317 0.000 1.758) 13.433 21.956 ( -12.563 0.000 -3.126) 12.946 22.231 ( -1.021 0.000 1.314) 1.665 22.266 ( -4.210 0.000 -1.879) 4.610 23.492 ( 3.470 0.000 2.415) 4.228 23.554 ( 2.186 0.000 -3.548) 4.167 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 10.394 0.000 10.080) 14.479 1.812 ( 2.628 0.000 -9.524) 9.880 2.023 ( 13.610 0.000 9.990) 16.883 2.162 ( 6.700 0.000 -1.122) 6.793 2.222 ( 0.232 0.000 -2.349) 2.361 2.254 ( -0.080 0.000 -3.148) 3.149 2.503 ( 1.476 0.000 3.571) 3.864 2.582 ( 1.496 0.000 -3.726) 4.015 2.647 ( -4.066 0.000 1.912) 4.493 2.688 ( -4.821 0.000 -2.147) 5.278 2.863 ( -0.185 0.000 5.504) 5.507 2.958 ( -0.234 0.000 0.111) 0.259 3.009 ( -1.795 0.000 2.318) 2.932 3.112 ( -1.588 0.000 -4.895) 5.146 3.385 ( -3.726 0.000 2.953) 4.754 3.481 ( 1.569 0.000 -2.725) 3.144 3.546 ( 5.287 0.000 2.642) 5.910 3.680 ( -1.855 0.000 -11.926) 12.069 3.876 ( 6.459 0.000 6.290) 9.015 3.950 ( 3.125 0.000 -1.537) 3.482 4.148 ( 5.281 0.000 6.378) 8.281 4.263 ( 5.574 0.000 -3.757) 6.721 4.358 ( 4.631 0.000 3.776) 5.975 4.448 ( -0.746 0.000 1.931) 2.070 4.517 ( 1.243 0.000 -8.436) 8.528 4.576 ( -2.734 0.000 -11.416) 11.739 5.202 ( 13.215 0.000 4.376) 13.921 5.298 ( 14.226 0.000 -4.126) 14.812 5.527 ( 6.358 0.000 8.428) 10.557 5.673 ( 3.645 0.000 -3.950) 5.374 5.759 ( -1.593 0.000 1.823) 2.421 5.786 ( -1.636 0.000 -0.144) 1.643 5.965 ( 12.320 0.000 10.153) 15.965 6.116 ( 9.335 0.000 -0.103) 9.336 6.257 ( 4.200 0.000 -0.163) 4.203 6.313 ( 4.792 0.000 -3.959) 6.216 6.478 ( 11.316 0.000 0.783) 11.343 6.560 ( 4.322 0.000 -6.609) 7.896 6.628 ( 3.674 0.000 3.999) 5.430 6.727 ( -1.301 0.000 -5.307) 5.464 6.941 ( 6.729 0.000 10.467) 12.443 7.161 ( 5.117 0.000 -9.789) 11.046 7.362 ( 2.436 0.000 5.436) 5.957 7.446 ( 2.327 0.000 -1.677) 2.869 7.768 ( 1.568 0.000 2.095) 2.616 7.804 ( 2.697 0.000 -2.053) 3.389 8.214 ( -5.443 0.000 20.047) 20.773 8.518 ( -3.213 0.000 -7.977) 8.600 8.740 ( -8.471 0.000 4.183) 9.448 8.866 ( -0.212 0.000 -6.557) 6.560 9.118 ( 0.720 0.000 7.464) 7.498 9.300 ( -1.010 0.000 -9.855) 9.906 10.083 ( 6.405 0.000 5.629) 8.527 10.257 ( 2.676 0.000 -10.706) 11.036 10.765 ( -8.128 0.000 3.807) 8.975 10.849 ( -6.124 0.000 -4.646) 7.687 11.485 ( 2.689 0.000 1.568) 3.112 11.550 ( -0.174 0.000 -4.808) 4.811 11.713 ( -1.453 0.000 4.910) 5.121 11.818 ( -3.859 0.000 -4.982) 6.302 12.475 ( -2.369 0.000 1.382) 2.743 12.532 ( -4.413 0.000 -3.930) 5.909 13.205 ( 5.203 0.000 6.807) 8.568 13.329 ( 4.268 0.000 -5.208) 6.733 13.562 ( 7.448 0.000 3.629) 8.285 13.616 ( 1.819 0.000 -1.298) 2.234 13.777 ( -1.189 0.000 10.731) 10.797 13.945 ( -5.196 0.000 -5.155) 7.319 19.935 ( 4.096 0.000 -0.010) 4.096 19.976 ( 3.658 0.000 -4.106) 5.499 20.097 ( 3.216 0.000 2.407) 4.016 20.147 ( 2.278 0.000 -2.415) 3.319 20.519 ( 5.087 0.000 1.617) 5.338 20.567 ( 7.715 0.000 -2.997) 8.276 20.868 ( -0.224 0.000 4.318) 4.324 20.933 ( -1.128 0.000 -2.115) 2.397 21.430 ( -0.014 0.000 4.158) 4.158 21.448 ( -2.494 0.000 2.611) 3.610 21.645 ( -12.630 0.000 0.570) 12.642 21.702 ( -13.007 0.000 -4.374) 13.723 22.222 ( -0.601 0.000 0.572) 0.830 22.228 ( 0.337 0.000 0.116) 0.356 23.559 ( 3.262 0.000 0.834) 3.367 23.596 ( 1.955 0.000 -2.731) 3.358 ======================= Grid point 130 (45/60) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 5.998 0.000 3.135) 6.768 1.831 ( -0.992 0.000 -3.094) 3.249 2.185 ( 1.124 0.000 1.265) 1.692 2.213 ( -1.790 0.000 -2.042) 2.715 2.264 ( 8.643 0.000 5.415) 10.200 2.321 ( 4.058 0.000 -0.314) 4.070 2.534 ( -1.440 0.000 3.445) 3.734 2.565 ( -4.362 0.000 0.685) 4.415 2.605 ( 1.958 0.000 -0.052) 1.959 2.646 ( 1.562 0.000 -1.952) 2.500 2.818 ( -1.682 0.000 -0.804) 1.864 2.879 ( -6.025 0.000 -4.930) 7.785 3.032 ( 3.136 0.000 5.529) 6.356 3.090 ( -2.066 0.000 1.846) 2.771 3.351 ( 1.521 0.000 -4.796) 5.031 3.427 ( -4.936 0.000 -8.454) 9.789 3.634 ( 2.595 0.000 -0.934) 2.758 3.660 ( -0.633 0.000 -4.654) 4.696 3.977 ( 3.313 0.000 1.871) 3.805 3.995 ( 1.147 0.000 -0.333) 1.194 4.223 ( 2.702 0.000 6.736) 7.258 4.267 ( -2.209 0.000 1.681) 2.776 4.443 ( 4.294 0.000 -1.890) 4.691 4.494 ( 2.877 0.000 -1.485) 3.238 4.507 ( -1.962 0.000 -3.920) 4.384 4.535 ( -1.814 0.000 -8.964) 9.145 5.448 ( 11.900 0.000 5.549) 13.130 5.539 ( 9.033 0.000 -3.017) 9.523 5.624 ( -0.585 0.000 5.768) 5.798 5.666 ( -2.993 0.000 0.027) 2.993 5.681 ( -0.931 0.000 2.845) 2.993 5.765 ( -2.164 0.000 -2.958) 3.665 6.103 ( 3.313 0.000 2.743) 4.301 6.178 ( -4.336 0.000 -3.224) 5.403 6.322 ( 5.691 0.000 2.306) 6.140 6.366 ( 1.211 0.000 -2.294) 2.594 6.646 ( 4.472 0.000 1.273) 4.650 6.660 ( 3.353 0.000 0.685) 3.422 6.721 ( 3.080 0.000 -1.721) 3.529 6.725 ( 1.074 0.000 -2.311) 2.548 7.085 ( 7.239 0.000 5.291) 8.967 7.179 ( -2.388 0.000 -3.447) 4.194 7.480 ( 10.135 0.000 6.122) 11.841 7.570 ( 7.496 0.000 -0.554) 7.516 7.743 ( -3.786 0.000 5.438) 6.626 7.811 ( -4.143 0.000 -0.670) 4.196 8.146 ( 1.191 0.000 12.077) 12.136 8.300 ( -13.555 0.000 -3.109) 13.907 8.718 ( 3.227 0.000 2.470) 4.064 8.803 ( -4.981 0.000 -4.988) 7.048 9.183 ( 4.934 0.000 3.959) 6.326 9.266 ( -3.171 0.000 -4.020) 5.120 10.226 ( 7.662 0.000 0.339) 7.670 10.314 ( 0.451 0.000 -8.123) 8.136 10.641 ( -2.233 0.000 1.395) 2.633 10.712 ( -7.341 0.000 -5.455) 9.146 11.537 ( 2.404 0.000 0.347) 2.429 11.558 ( 0.390 0.000 -1.559) 1.607 11.693 ( 0.110 0.000 1.617) 1.620 11.738 ( -4.020 0.000 -2.399) 4.682 12.445 ( -0.479 0.000 -1.350) 1.432 12.463 ( -2.438 0.000 -3.047) 3.902 13.318 ( 5.999 0.000 5.688) 8.267 13.389 ( 0.265 0.000 -0.590) 0.647 13.574 ( -1.692 0.000 1.953) 2.585 13.600 ( -2.239 0.000 -0.206) 2.249 13.844 ( 4.694 0.000 4.446) 6.465 13.899 ( -1.238 0.000 -0.777) 1.462 19.996 ( 2.234 0.000 -1.187) 2.530 20.016 ( 0.387 0.000 -3.186) 3.210 20.142 ( 1.714 0.000 0.999) 1.984 20.164 ( -0.332 0.000 -1.092) 1.141 20.637 ( 6.129 0.000 2.984) 6.817 20.690 ( 2.544 0.000 -1.738) 3.081 20.866 ( 1.222 0.000 2.089) 2.420 20.909 ( -1.782 0.000 -1.687) 2.453 21.396 ( -1.518 0.000 3.747) 4.043 21.417 ( -2.373 0.000 3.891) 4.558 21.466 ( -3.966 0.000 -2.340) 4.605 21.501 ( -6.747 0.000 -3.489) 7.596 22.226 ( 0.587 0.000 1.196) 1.332 22.233 ( -0.015 0.000 0.590) 0.590 23.608 ( 1.695 0.000 -0.501) 1.768 23.620 ( 0.387 0.000 -1.685) 1.729 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.000 8.792 23.288) 24.892 1.329 ( 0.000 8.220 23.099) 24.518 1.725 ( 0.000 5.473 -19.847) 20.588 1.805 ( 0.000 6.068 -19.974) 20.875 2.125 ( 0.000 5.206 9.414) 10.758 2.288 ( 0.000 4.192 -7.004) 8.163 2.450 ( 0.000 10.403 31.869) 33.524 2.603 ( 0.000 -4.900 2.279) 5.404 2.639 ( 0.000 -1.984 0.357) 2.016 2.746 ( 0.000 -4.045 -0.514) 4.078 2.770 ( 0.000 -0.534 1.808) 1.885 2.942 ( 0.000 2.106 -2.668) 3.399 3.065 ( 0.000 0.774 -1.368) 1.572 3.160 ( 0.000 3.854 -10.284) 10.983 3.366 ( 0.000 3.034 2.182) 3.737 3.394 ( 0.000 2.315 -0.505) 2.370 3.498 ( 0.000 8.014 4.296) 9.093 3.586 ( 0.000 9.634 -3.474) 10.241 3.704 ( 0.000 -3.978 2.583) 4.743 3.828 ( 0.000 1.334 -8.000) 8.110 3.927 ( 0.000 2.691 2.062) 3.390 3.980 ( 0.000 7.121 -3.403) 7.892 4.223 ( 0.000 1.489 11.517) 11.613 4.344 ( 0.000 3.222 5.967) 6.781 4.522 ( 0.000 6.498 -1.666) 6.708 4.698 ( 0.000 3.212 -8.328) 8.926 4.818 ( 0.000 -1.620 2.545) 3.016 4.887 ( 0.000 4.665 -3.662) 5.931 5.186 ( 0.000 -5.286 17.594) 18.371 5.338 ( 0.000 -3.771 9.642) 10.354 5.424 ( 0.000 1.426 0.278) 1.453 5.470 ( 0.000 -2.589 -3.423) 4.292 5.535 ( 0.000 0.767 -7.968) 8.004 5.590 ( 0.000 -0.572 -12.124) 12.138 6.056 ( 0.000 4.426 3.588) 5.698 6.109 ( 0.000 1.798 -0.312) 1.825 6.367 ( 0.000 0.307 0.342) 0.459 6.440 ( 0.000 3.669 -5.563) 6.664 6.615 ( 0.000 -7.575 4.037) 8.584 6.716 ( 0.000 -7.243 -5.445) 9.061 6.856 ( 0.000 -2.376 -2.891) 3.742 6.932 ( 0.000 -1.343 -8.372) 8.479 7.180 ( 0.000 5.949 3.541) 6.923 7.335 ( 0.000 2.847 -10.714) 11.086 7.798 ( 0.000 -6.553 3.860) 7.605 7.882 ( 0.000 -6.291 -3.861) 7.381 8.173 ( 0.000 2.126 3.881) 4.425 8.242 ( 0.000 2.515 -2.237) 3.367 8.817 ( 0.000 1.393 13.168) 13.241 9.023 ( 0.000 -6.877 -4.447) 8.190 9.365 ( 0.000 -7.718 1.487) 7.859 9.420 ( 0.000 -4.662 -5.188) 6.975 10.047 ( 0.000 -4.031 12.548) 13.180 10.274 ( 0.000 -7.845 -9.380) 12.228 10.945 ( 0.000 5.384 2.064) 5.766 11.001 ( 0.000 5.730 -2.689) 6.330 11.311 ( 0.000 -0.402 4.608) 4.626 11.412 ( 0.000 -1.415 -5.353) 5.537 11.868 ( 0.000 5.932 3.015) 6.654 11.978 ( 0.000 1.928 -6.623) 6.898 12.613 ( 0.000 2.193 9.359) 9.612 12.784 ( 0.000 4.192 -6.542) 7.770 12.956 ( 0.000 -6.477 1.460) 6.640 13.004 ( 0.000 -5.634 -3.918) 6.862 13.191 ( 0.000 -2.974 4.954) 5.778 13.296 ( 0.000 0.668 -4.973) 5.017 14.051 ( 0.000 -3.602 16.067) 16.466 14.343 ( 0.000 -9.756 -11.104) 14.781 19.717 ( 0.000 1.469 1.232) 1.917 19.745 ( 0.000 0.616 -1.571) 1.687 19.927 ( 0.000 4.418 1.208) 4.581 19.962 ( 0.000 6.609 -2.449) 7.048 20.453 ( 0.000 3.692 1.936) 4.169 20.509 ( 0.000 3.319 -3.207) 4.615 20.839 ( 0.000 0.027 5.910) 5.910 20.960 ( 0.000 -0.048 -5.602) 5.603 21.300 ( 0.000 2.869 5.832) 6.500 21.407 ( 0.000 1.981 -4.368) 4.796 22.140 ( 0.000 -4.132 5.912) 7.212 22.227 ( 0.000 -2.974 -1.843) 3.499 22.349 ( 0.000 6.223 3.284) 7.036 22.461 ( 0.000 2.603 -6.538) 7.037 23.320 ( 0.000 -8.625 6.117) 10.574 23.429 ( 0.000 -7.387 -4.740) 8.777 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 7.783 9.746 20.344) 23.863 1.506 ( 15.163 7.434 18.025) 24.700 1.746 ( 2.619 5.651 -16.737) 17.858 1.897 ( 7.756 5.723 -16.465) 19.079 2.171 ( 4.314 4.614 6.689) 9.200 2.307 ( 1.524 4.513 -6.281) 7.883 2.487 ( 1.400 2.323 17.203) 17.415 2.585 ( -1.588 -4.370 0.719) 4.705 2.653 ( 3.809 5.099 10.872) 12.598 2.766 ( 1.256 -1.370 2.374) 3.015 2.782 ( 0.875 -0.610 0.479) 1.169 2.952 ( 0.642 1.039 -0.770) 1.443 3.056 ( -0.942 0.402 -1.016) 1.442 3.170 ( 0.875 3.317 -10.397) 10.949 3.368 ( 0.436 4.099 3.279) 5.267 3.434 ( 2.682 2.289 -2.673) 4.424 3.539 ( 3.187 5.318 2.891) 6.841 3.600 ( 3.083 4.951 -2.536) 6.360 3.698 ( 0.115 -1.365 4.890) 5.078 3.838 ( 1.470 1.371 -6.957) 7.242 3.957 ( 3.078 2.509 2.093) 4.489 4.030 ( 4.385 6.648 -4.809) 9.304 4.250 ( 3.070 2.667 10.196) 10.977 4.398 ( 4.853 3.223 1.872) 6.119 4.556 ( 1.928 6.028 -1.306) 6.463 4.694 ( -0.617 3.402 -7.237) 8.020 4.850 ( 4.713 -0.336 1.333) 4.909 4.931 ( 4.203 4.458 -4.269) 7.468 5.215 ( 4.566 -2.876 12.379) 13.504 5.387 ( 4.341 -1.018 -0.076) 4.459 5.454 ( 5.644 -5.671 5.637) 9.787 5.579 ( 9.612 -2.092 -1.493) 9.950 5.631 ( 8.987 2.262 -2.371) 9.566 5.730 ( 11.192 -0.254 -5.849) 12.630 6.047 ( -0.555 3.353 3.809) 5.105 6.127 ( 1.713 3.315 -1.802) 4.144 6.368 ( -0.199 1.130 -0.237) 1.171 6.400 ( -0.977 0.341 -2.650) 2.845 6.657 ( 2.421 -3.966 1.106) 4.776 6.750 ( 2.276 -6.266 -6.342) 9.202 6.858 ( 0.477 -0.367 -0.966) 1.138 6.918 ( 0.301 -0.964 -5.107) 5.206 7.259 ( 5.324 1.926 -0.575) 5.691 7.309 ( -0.470 1.432 -4.929) 5.154 7.763 ( -2.225 -4.353 3.709) 6.136 7.844 ( -2.818 -3.022 -3.582) 5.468 8.253 ( 4.171 -2.730 3.422) 6.047 8.305 ( 4.982 0.736 -0.739) 5.090 8.786 ( -0.192 2.371 10.032) 10.310 8.994 ( -3.520 -5.326 -7.508) 9.855 9.277 ( -6.108 -5.281 5.193) 9.600 9.404 ( -2.235 -0.832 -6.896) 7.297 10.039 ( -0.980 -1.847 11.444) 11.634 10.251 ( -2.191 -6.564 -8.523) 10.979 10.921 ( -2.768 3.128 0.753) 4.244 10.943 ( -3.413 -0.559 -1.205) 3.662 11.403 ( 5.977 1.691 3.492) 7.126 11.488 ( 5.932 -1.534 -4.532) 7.621 11.832 ( -3.276 5.103 4.102) 7.321 11.959 ( -1.549 3.530 -7.180) 8.149 12.566 ( -3.422 0.189 6.430) 7.286 12.685 ( -6.366 -0.778 -4.666) 7.932 13.022 ( 6.325 -3.982 6.287) 9.767 13.152 ( 7.018 -3.032 -4.490) 8.866 13.212 ( 5.196 -4.571 1.456) 7.072 13.290 ( 0.244 0.644 -4.458) 4.511 13.987 ( -6.079 -3.436 14.750) 16.319 14.243 ( -9.061 -7.550 -8.877) 14.762 19.759 ( 3.826 0.722 0.799) 3.975 19.785 ( 4.308 1.057 -1.975) 4.855 19.974 ( 4.294 4.102 1.206) 6.059 20.013 ( 4.585 5.216 -2.705) 7.453 20.455 ( 0.426 3.686 1.522) 4.011 20.504 ( -0.410 3.776 -3.068) 4.883 20.850 ( 1.044 0.105 5.871) 5.964 20.963 ( 0.133 0.059 -4.931) 4.933 21.326 ( 2.286 1.440 6.177) 6.742 21.435 ( 2.018 0.534 -4.182) 4.674 22.065 ( -7.382 -3.947 5.320) 9.919 22.155 ( -7.055 -2.205 -3.248) 8.074 22.328 ( -2.006 6.650 4.032) 8.032 22.431 ( -2.927 5.715 -5.565) 8.497 23.339 ( 2.055 -8.933 5.156) 10.518 23.438 ( 1.038 -7.577 -4.535) 8.891 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 11.576 10.952 14.435) 21.502 1.795 ( 11.859 6.485 1.591) 13.609 1.830 ( 7.849 6.648 -1.375) 10.377 2.050 ( 7.837 4.337 -8.930) 12.649 2.253 ( 2.822 4.785 2.141) 5.953 2.331 ( 0.774 6.003 -4.566) 7.582 2.474 ( -0.672 -2.672 4.130) 4.965 2.547 ( -1.537 -4.046 -3.055) 5.298 2.729 ( -0.388 2.498 4.395) 5.069 2.763 ( -2.011 0.960 0.276) 2.245 2.847 ( 6.044 5.007 9.473) 12.302 2.951 ( -0.486 0.310 1.971) 2.053 3.037 ( -0.995 -0.118 0.991) 1.410 3.177 ( -0.612 2.544 -8.350) 8.750 3.415 ( 5.007 4.092 3.667) 7.434 3.461 ( -0.025 3.786 -0.401) 3.807 3.546 ( -1.440 0.869 3.862) 4.213 3.671 ( 1.671 -0.398 -5.651) 5.907 3.773 ( 7.160 1.935 5.602) 9.295 3.904 ( 5.081 2.130 -4.577) 7.163 4.055 ( 7.343 1.952 1.630) 7.771 4.132 ( 6.628 5.720 -5.591) 10.388 4.325 ( 3.989 3.244 7.186) 8.836 4.486 ( 3.002 2.151 -5.180) 6.361 4.551 ( -2.064 5.303 0.909) 5.762 4.679 ( -0.754 5.369 -8.715) 10.264 5.001 ( 10.269 2.535 1.102) 10.634 5.066 ( 10.165 2.167 -2.935) 10.800 5.369 ( 10.222 -0.892 8.448) 13.292 5.516 ( 8.085 -2.718 -4.106) 9.466 5.631 ( 11.415 -3.501 8.190) 14.479 5.750 ( 7.158 -0.611 -3.254) 7.886 5.811 ( 6.081 0.964 3.643) 7.154 5.890 ( 5.141 -2.427 -1.825) 5.971 6.097 ( 7.811 2.539 4.980) 9.605 6.211 ( 7.842 2.227 -3.743) 8.971 6.371 ( 2.200 2.264 1.798) 3.633 6.466 ( 6.831 1.027 -4.278) 8.126 6.661 ( -2.089 -1.108 0.928) 2.541 6.763 ( -1.115 -1.350 -6.761) 6.984 6.864 ( 1.739 1.311 5.213) 5.650 7.008 ( 7.745 -1.581 -7.976) 11.229 7.291 ( 1.940 -2.498 5.481) 6.328 7.395 ( 4.791 -0.912 -4.218) 6.447 7.736 ( -0.316 -0.982 3.043) 3.213 7.792 ( -2.255 -0.744 -2.105) 3.173 8.226 ( -5.179 -7.076 11.881) 14.766 8.409 ( 4.457 -4.374 -5.060) 8.038 8.852 ( 3.063 2.305 1.485) 4.111 8.925 ( -1.135 2.036 -3.806) 4.463 9.180 ( -3.356 0.800 6.174) 7.072 9.356 ( -2.573 1.332 -9.898) 10.314 10.025 ( 0.417 0.176 9.040) 9.052 10.210 ( -1.460 -4.652 -7.682) 9.099 10.840 ( -5.580 -3.033 0.352) 6.361 10.883 ( -3.846 -3.835 -3.312) 6.361 11.472 ( 1.504 1.925 3.440) 4.219 11.563 ( 1.006 -0.878 -5.027) 5.201 11.774 ( -1.964 4.108 7.065) 8.405 11.928 ( -1.844 5.292 -7.300) 9.203 12.514 ( -1.881 -0.862 3.960) 4.468 12.594 ( -3.464 -2.319 -3.419) 5.392 13.101 ( 2.270 -3.170 7.485) 8.440 13.229 ( 2.845 -2.464 -4.118) 5.578 13.339 ( 7.855 -3.787 1.759) 8.896 13.409 ( 9.513 -4.973 -4.215) 11.532 13.849 ( -7.473 -3.193 12.579) 14.976 14.057 ( -9.200 -4.342 -6.918) 12.302 19.855 ( 5.956 1.248 0.875) 6.147 19.890 ( 5.973 1.131 -2.647) 6.631 20.066 ( 4.766 3.612 0.897) 6.047 20.105 ( 4.456 3.002 -2.686) 6.007 20.482 ( 2.588 2.956 0.241) 3.936 20.504 ( 0.955 4.021 -1.846) 4.527 20.871 ( 0.829 0.489 5.179) 5.268 20.959 ( -0.614 0.284 -3.384) 3.451 21.364 ( 1.025 -2.051 5.755) 6.195 21.448 ( -1.082 -2.349 -1.915) 3.218 21.884 ( -10.724 -1.067 4.091) 11.527 21.979 ( -10.914 0.891 -4.857) 11.979 22.291 ( -1.249 6.738 3.802) 7.837 22.370 ( -2.701 8.910 -3.775) 10.046 23.396 ( 3.695 -9.063 3.182) 10.292 23.471 ( 2.267 -7.809 -3.991) 9.058 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 10.527 11.544 8.391) 17.734 1.911 ( 4.355 9.101 -8.305) 13.068 2.070 ( 12.508 4.593 9.228) 16.208 2.190 ( 5.625 2.797 -0.192) 6.285 2.265 ( 0.730 3.891 -1.762) 4.334 2.319 ( -2.396 5.218 -4.646) 7.386 2.498 ( 2.877 -0.464 2.737) 3.998 2.564 ( 3.253 -0.849 -2.790) 4.369 2.675 ( -4.432 1.027 1.493) 4.788 2.704 ( -3.404 2.584 -1.607) 4.566 2.873 ( -2.706 0.458 3.558) 4.494 2.954 ( -1.048 0.190 -1.301) 1.681 3.017 ( -0.270 1.215 4.866) 5.023 3.149 ( -1.714 2.999 -5.243) 6.279 3.394 ( -4.244 0.617 2.434) 4.931 3.489 ( -2.115 -0.236 -4.273) 4.773 3.588 ( 6.178 4.172 2.972) 8.025 3.689 ( 1.136 2.097 -7.386) 7.762 3.918 ( 7.857 3.521 6.105) 10.554 3.994 ( 4.239 3.683 -1.235) 5.750 4.183 ( 4.578 3.436 3.733) 6.834 4.266 ( 4.451 0.883 -4.293) 6.247 4.393 ( 3.879 2.174 3.427) 5.615 4.488 ( -0.666 0.941 -4.412) 4.561 4.533 ( 0.202 6.040 -0.278) 6.050 4.665 ( -0.882 7.921 -11.107) 13.670 5.223 ( 12.287 1.968 3.216) 12.852 5.289 ( 11.988 -0.645 -2.300) 12.224 5.557 ( 9.048 2.502 7.651) 12.111 5.638 ( 2.542 -3.422 1.863) 4.652 5.747 ( -1.116 -0.728 -0.400) 1.391 5.793 ( 0.612 0.255 -5.241) 5.283 5.939 ( 9.560 -1.871 5.819) 11.347 6.044 ( 7.799 -5.398 -3.466) 10.098 6.248 ( 5.553 1.236 6.208) 8.421 6.364 ( 5.818 1.785 -3.714) 7.129 6.483 ( 8.817 0.697 3.293) 9.437 6.594 ( 3.291 1.978 -5.962) 7.092 6.655 ( 5.317 2.544 1.869) 6.184 6.745 ( 0.480 2.101 -6.138) 6.505 6.942 ( 5.777 0.364 10.341) 11.851 7.144 ( 4.830 -1.281 -8.562) 9.913 7.354 ( 4.900 -1.191 7.025) 8.647 7.462 ( 4.167 0.878 -2.926) 5.167 7.752 ( 0.919 -1.820 3.217) 3.809 7.779 ( 1.057 -1.873 0.034) 2.151 8.119 ( -5.608 -7.465 16.420) 18.889 8.400 ( -6.912 -10.338 -10.525) 16.292 8.826 ( -1.280 7.733 6.951) 10.476 8.962 ( 0.775 7.542 -5.000) 9.082 9.159 ( 0.740 3.327 5.505) 6.474 9.316 ( -1.405 1.937 -9.023) 9.335 10.083 ( 5.624 -0.567 4.070) 6.965 10.221 ( 3.083 -3.770 -8.400) 9.710 10.701 ( -8.698 -5.333 0.815) 10.235 10.779 ( -7.104 -6.095 -6.028) 11.134 11.493 ( 1.207 0.416 2.556) 2.857 11.551 ( -0.988 -0.828 -3.234) 3.481 11.755 ( -0.483 4.808 6.015) 7.716 11.877 ( -3.534 5.236 -5.200) 8.182 12.488 ( -1.020 1.034 1.549) 2.124 12.536 ( -2.760 -0.066 -2.889) 3.996 13.162 ( 4.572 -3.668 7.386) 9.429 13.290 ( 3.864 -3.531 -4.920) 7.183 13.484 ( 4.869 -7.696 2.788) 9.524 13.530 ( 1.247 -7.317 -1.259) 7.529 13.752 ( -0.569 -2.295 9.985) 10.262 13.921 ( -4.543 -2.541 -6.087) 8.009 19.966 ( 5.078 2.833 0.150) 5.816 19.995 ( 4.615 2.094 -2.461) 5.634 20.143 ( 3.078 3.656 0.439) 4.800 20.172 ( 2.469 2.180 -2.014) 3.860 20.536 ( 3.551 1.739 1.309) 4.165 20.575 ( 5.857 0.956 -2.359) 6.386 20.869 ( -1.340 -0.163 4.358) 4.562 20.934 ( -2.086 -0.484 -2.015) 2.940 21.361 ( -0.679 -3.859 4.144) 5.703 21.412 ( -1.613 -3.280 -0.367) 3.673 21.678 ( -10.398 2.880 2.725) 11.128 21.754 ( -11.984 3.536 -4.145) 13.165 22.288 ( 0.742 7.233 2.852) 7.811 22.339 ( -0.742 9.351 -2.032) 9.598 23.469 ( 3.596 -8.668 1.303) 9.475 23.515 ( 2.034 -7.830 -3.036) 8.641 ======================= Grid point 139 (50/60) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 6.079 11.794 3.070) 13.619 1.956 ( -0.232 11.553 -2.573) 11.838 2.211 ( 1.091 2.182 1.318) 2.773 2.250 ( -2.701 3.156 -2.816) 5.019 2.294 ( 8.231 3.019 4.816) 10.003 2.354 ( 3.812 3.340 -0.725) 5.120 2.533 ( -1.122 -0.147 3.073) 3.275 2.573 ( -4.707 0.342 -0.098) 4.721 2.631 ( 4.276 2.761 1.763) 5.386 2.699 ( 1.669 4.799 -2.278) 5.568 2.799 ( -2.510 -1.483 -1.001) 3.082 2.871 ( -6.204 -0.217 -5.389) 8.220 3.050 ( 3.140 1.651 5.767) 6.771 3.113 ( -2.686 1.908 1.553) 3.642 3.351 ( 0.746 0.150 -4.001) 4.072 3.412 ( -4.634 -1.170 -7.299) 8.724 3.675 ( 2.886 3.600 -1.034) 4.728 3.705 ( -0.167 4.041 -4.581) 6.110 4.046 ( 4.446 5.794 2.198) 7.627 4.065 ( 2.514 6.611 0.032) 7.073 4.220 ( 0.569 -0.105 3.864) 3.907 4.260 ( -2.876 -0.735 -0.367) 2.991 4.475 ( 3.078 1.273 1.829) 3.800 4.499 ( 0.510 0.394 -0.407) 0.762 4.561 ( 3.293 8.302 -4.549) 10.023 4.631 ( -2.976 8.177 -9.128) 12.612 5.445 ( 10.149 -0.914 3.346) 10.725 5.486 ( 8.018 -3.147 -0.009) 8.614 5.598 ( -4.246 -2.793 2.471) 5.651 5.646 ( -6.513 -0.771 -0.572) 6.584 5.738 ( 7.780 5.038 4.300) 10.218 5.833 ( -0.159 5.032 -2.511) 5.626 6.052 ( 2.657 -4.550 0.580) 5.300 6.099 ( -1.497 -5.862 -2.989) 6.748 6.341 ( 4.565 1.177 3.342) 5.779 6.396 ( -1.034 1.482 -1.527) 2.366 6.642 ( 6.336 -0.275 2.340) 6.760 6.677 ( 3.028 1.369 0.011) 3.323 6.729 ( 2.165 1.319 -1.482) 2.936 6.767 ( -0.243 3.581 -3.299) 4.875 7.069 ( 6.774 -1.433 5.396) 8.779 7.162 ( -2.351 -1.628 -3.202) 4.293 7.511 ( 10.715 1.790 6.906) 12.873 7.605 ( 8.797 3.082 -0.037) 9.322 7.716 ( -4.538 -3.245 4.843) 7.388 7.786 ( -3.031 -1.816 -0.914) 3.650 8.044 ( 0.326 -7.757 11.715) 14.054 8.184 ( -12.521 -9.069 -2.732) 15.700 8.849 ( 3.177 10.544 2.560) 11.306 8.923 ( -3.877 9.787 -3.437) 11.074 9.207 ( 3.797 2.342 2.586) 5.157 9.278 ( -3.062 1.432 -4.074) 5.294 10.220 ( 7.846 -0.821 -0.358) 7.897 10.301 ( 2.269 -1.601 -8.033) 8.500 10.553 ( -3.936 -7.722 -0.161) 8.669 10.624 ( -8.209 -7.826 -6.727) 13.186 11.521 ( 1.466 -1.135 1.600) 2.449 11.540 ( -0.501 -1.485 -0.185) 1.578 11.757 ( 1.103 5.632 1.952) 6.062 11.804 ( -3.571 5.440 -2.158) 6.856 12.477 ( -0.011 2.811 -0.674) 2.891 12.492 ( -1.627 2.427 -2.081) 3.587 13.270 ( 6.127 -4.236 6.420) 9.833 13.349 ( 0.193 -3.332 -0.236) 3.346 13.478 ( -1.885 -9.128 1.520) 9.444 13.506 ( -2.273 -8.557 -0.368) 8.861 13.815 ( 4.336 -2.924 3.330) 6.200 13.872 ( -1.812 -2.889 -1.969) 3.938 20.038 ( 2.417 3.949 -1.185) 4.779 20.053 ( 1.111 3.560 -2.558) 4.522 20.184 ( 1.464 3.619 0.460) 3.931 20.198 ( 0.233 3.213 -0.773) 3.313 20.626 ( 5.271 -0.909 2.787) 6.032 20.676 ( 2.444 -1.222 -1.723) 3.230 20.830 ( -0.895 -3.337 2.535) 4.285 20.877 ( -3.796 -3.236 -1.767) 5.292 21.378 ( 3.202 -0.045 3.065) 4.433 21.417 ( 2.276 -0.028 0.192) 2.284 21.502 ( -7.242 3.297 0.870) 8.005 21.546 ( -8.954 3.329 -2.550) 9.887 22.310 ( 1.274 8.104 1.690) 8.376 22.329 ( -0.636 8.816 -0.087) 8.839 23.523 ( 1.934 -8.184 -0.311) 8.415 23.539 ( 0.322 -7.892 -1.763) 8.093 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 15.310 15.313) 21.654 1.546 ( 0.000 12.869 16.907) 21.248 1.867 ( 0.000 8.400 -13.737) 16.101 1.953 ( 0.000 8.134 -15.591) 17.585 2.192 ( 0.000 0.920 5.729) 5.803 2.319 ( 0.000 -2.639 -5.397) 6.007 2.466 ( 0.000 -8.878 1.240) 8.965 2.513 ( 0.000 -5.223 -1.155) 5.349 2.636 ( 0.000 -0.374 4.948) 4.962 2.694 ( 0.000 -0.270 -1.012) 1.048 2.908 ( 0.000 15.259 14.549) 21.083 2.999 ( 0.000 3.347 2.671) 4.282 3.092 ( 0.000 1.937 -0.643) 2.041 3.252 ( 0.000 5.262 -7.486) 9.151 3.420 ( 0.000 1.758 2.015) 2.674 3.449 ( 0.000 3.085 -0.435) 3.115 3.610 ( 0.000 -4.586 5.224) 6.951 3.649 ( 0.000 6.370 3.071) 7.072 3.784 ( 0.000 6.641 -1.347) 6.777 3.861 ( 0.000 1.043 -8.498) 8.562 4.016 ( 0.000 7.187 5.775) 9.220 4.160 ( 0.000 11.175 -7.428) 13.419 4.318 ( 0.000 8.092 10.221) 13.036 4.412 ( 0.000 3.599 5.754) 6.787 4.632 ( 0.000 3.339 -3.949) 5.171 4.749 ( 0.000 0.925 -6.964) 7.025 4.858 ( 0.000 5.980 7.955) 9.952 5.007 ( 0.000 5.333 -3.197) 6.218 5.064 ( 0.000 -4.988 13.344) 14.246 5.243 ( 0.000 -6.214 4.865) 7.892 5.296 ( 0.000 -6.782 0.589) 6.807 5.451 ( 0.000 -6.307 -13.403) 14.812 5.576 ( 0.000 8.249 1.097) 8.322 5.706 ( 0.000 8.143 -8.861) 12.034 6.112 ( 0.000 0.213 1.075) 1.096 6.134 ( 0.000 0.756 -0.399) 0.855 6.384 ( 0.000 -1.836 -0.049) 1.836 6.426 ( 0.000 -8.002 1.353) 8.115 6.511 ( 0.000 -2.119 -3.022) 3.690 6.625 ( 0.000 5.238 -8.097) 9.643 6.797 ( 0.000 -3.548 4.905) 6.054 6.905 ( 0.000 -0.790 -5.093) 5.153 7.317 ( 0.000 6.145 -0.700) 6.185 7.391 ( 0.000 2.277 -5.992) 6.410 7.661 ( 0.000 -6.227 4.042) 7.424 7.773 ( 0.000 -2.863 -6.443) 7.051 8.146 ( 0.000 -5.812 2.834) 6.467 8.217 ( 0.000 -6.191 -3.421) 7.073 8.847 ( 0.000 2.278 9.001) 9.285 8.950 ( 0.000 0.675 0.033) 0.676 9.202 ( 0.000 -7.641 3.475) 8.394 9.306 ( 0.000 -6.962 -5.244) 8.716 9.955 ( 0.000 -4.758 6.806) 8.304 10.077 ( 0.000 -10.186 -4.644) 11.195 11.024 ( 0.000 1.714 4.482) 4.798 11.107 ( 0.000 2.172 -3.009) 3.711 11.312 ( 0.000 1.459 1.746) 2.275 11.369 ( 0.000 -0.606 -3.248) 3.304 12.005 ( 0.000 6.684 -1.042) 6.765 12.064 ( 0.000 6.140 -6.019) 8.598 12.620 ( 0.000 -2.498 9.504) 9.827 12.815 ( 0.000 -7.913 -4.536) 9.121 12.840 ( 0.000 -1.866 -2.386) 3.029 12.880 ( 0.000 -1.699 -1.904) 2.551 13.154 ( 0.000 -0.137 6.598) 6.599 13.292 ( 0.000 -1.118 -6.010) 6.113 13.979 ( 0.000 -3.025 10.379) 10.811 14.145 ( 0.000 -9.110 -4.474) 10.149 19.755 ( 0.000 2.208 0.585) 2.284 19.776 ( 0.000 1.853 -1.611) 2.456 20.018 ( 0.000 4.207 2.382) 4.835 20.064 ( 0.000 3.410 -1.909) 3.908 20.541 ( 0.000 4.786 1.596) 5.045 20.599 ( 0.000 5.302 -3.889) 6.576 20.830 ( 0.000 -0.972 5.006) 5.100 20.941 ( 0.000 -2.104 -5.103) 5.520 21.392 ( 0.000 6.152 4.355) 7.537 21.474 ( 0.000 4.879 -3.382) 5.937 21.997 ( 0.000 -9.188 7.179) 11.660 22.096 ( 0.000 -8.961 -2.437) 9.287 22.523 ( 0.000 10.152 2.458) 10.445 22.603 ( 0.000 10.551 -4.578) 11.501 23.126 ( 0.000 -10.105 6.695) 12.122 23.257 ( 0.000 -9.570 -6.042) 11.318 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 8.183 15.098 13.711) 21.975 1.694 ( 13.321 10.837 13.420) 21.794 1.894 ( 3.100 8.599 -10.608) 14.003 2.030 ( 6.356 6.799 -13.128) 16.093 2.233 ( 4.349 0.819 5.075) 6.734 2.347 ( 2.652 -2.040 -5.247) 6.223 2.456 ( -1.736 -4.678 1.934) 5.351 2.505 ( -0.049 -3.620 -2.930) 4.657 2.681 ( 3.108 -2.482 4.195) 5.780 2.734 ( 4.324 -1.592 -1.249) 4.774 2.918 ( 0.585 10.645 10.312) 14.832 2.992 ( -0.258 4.355 3.160) 5.387 3.084 ( -0.731 3.226 1.227) 3.528 3.257 ( 0.188 5.307 -7.382) 9.094 3.439 ( 1.305 2.339 2.037) 3.365 3.471 ( 1.800 1.730 -0.826) 2.629 3.610 ( 0.211 -1.564 6.849) 7.029 3.674 ( 2.729 5.743 1.907) 6.638 3.774 ( -0.261 5.863 -0.005) 5.869 3.871 ( 1.558 0.990 -7.969) 8.181 4.040 ( 2.531 6.394 4.891) 8.439 4.186 ( 2.473 8.995 -8.467) 12.598 4.323 ( 1.857 4.411 10.856) 11.864 4.484 ( 5.016 5.162 1.189) 7.296 4.666 ( 2.335 4.092 -1.914) 5.085 4.780 ( 1.944 4.104 -5.842) 7.399 4.888 ( 5.300 4.675 6.302) 9.469 5.038 ( 3.281 4.458 -4.331) 7.028 5.142 ( 7.671 -3.222 9.833) 12.880 5.327 ( 5.889 -5.087 -2.735) 8.249 5.335 ( 6.883 -4.204 7.543) 11.043 5.504 ( 6.443 -5.747 -8.009) 11.777 5.687 ( 9.232 5.232 1.864) 10.774 5.816 ( 9.845 6.881 -8.247) 14.570 6.105 ( 0.030 2.092 2.557) 3.304 6.170 ( 2.279 0.690 -2.235) 3.266 6.364 ( -0.110 -3.991 -1.513) 4.270 6.389 ( -1.080 -2.614 -1.595) 3.247 6.588 ( 5.281 -2.800 0.189) 5.980 6.676 ( 4.100 3.787 -4.506) 7.173 6.835 ( 4.359 -2.355 3.454) 6.039 6.907 ( 0.348 0.310 -3.045) 3.080 7.274 ( -4.992 -1.076 0.921) 5.189 7.352 ( -1.421 1.974 -6.070) 6.539 7.675 ( 2.114 -2.969 5.113) 6.279 7.794 ( 0.906 -1.080 -5.522) 5.699 8.140 ( -1.767 -8.511 3.405) 9.335 8.243 ( 1.212 -8.066 -5.632) 9.912 8.852 ( 2.235 4.654 6.922) 8.635 8.956 ( 1.004 2.301 -2.325) 3.422 9.183 ( -0.429 -4.090 7.462) 8.520 9.345 ( 2.210 -5.217 -7.341) 9.273 9.958 ( 0.356 -5.210 6.346) 8.219 10.075 ( -0.164 -9.716 -4.504) 10.710 10.941 ( -7.037 0.791 2.352) 7.462 11.009 ( -7.728 2.888 -3.565) 8.988 11.395 ( 5.598 -1.487 2.273) 6.222 11.449 ( 6.084 -0.798 -2.391) 6.586 11.959 ( -3.696 6.873 2.519) 8.200 12.070 ( -0.096 6.035 -7.518) 9.641 12.547 ( -5.191 -2.102 6.037) 8.235 12.647 ( -7.959 -2.689 -2.658) 8.812 12.924 ( 4.840 -5.233 4.433) 8.394 13.040 ( 8.828 -7.437 -5.391) 12.740 13.178 ( 2.431 1.133 4.792) 5.492 13.290 ( 0.531 -0.653 -4.873) 4.945 13.920 ( -5.710 -2.707 9.969) 11.803 14.084 ( -5.781 -7.644 -5.046) 10.831 19.792 ( 3.768 2.274 0.766) 4.467 19.818 ( 4.203 1.799 -1.930) 4.963 20.054 ( 3.358 3.564 1.961) 5.275 20.096 ( 2.956 2.810 -1.967) 4.528 20.545 ( 0.548 5.156 1.647) 5.440 20.605 ( 0.356 5.958 -4.062) 7.220 20.837 ( 0.839 -1.653 5.243) 5.561 20.941 ( 0.006 -2.488 -4.493) 5.136 21.387 ( -0.768 4.619 4.894) 6.773 21.470 ( -1.093 3.148 -2.910) 4.424 21.956 ( -3.829 -6.420 6.288) 9.768 22.063 ( -3.215 -6.416 -4.025) 8.228 22.504 ( -1.796 10.267 3.948) 11.145 22.601 ( -0.567 10.729 -4.915) 11.815 23.133 ( 0.994 -10.943 6.181) 12.608 23.258 ( 0.350 -10.016 -5.923) 11.642 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 11.509 13.911 10.164) 20.719 1.957 ( 12.094 8.682 3.396) 15.270 1.987 ( 7.137 8.375 -1.351) 11.086 2.152 ( 6.167 4.921 -5.453) 9.590 2.326 ( 3.282 1.397 1.022) 3.711 2.415 ( 2.694 0.223 -4.476) 5.229 2.424 ( 0.982 -2.476 1.732) 3.177 2.502 ( 0.410 0.873 -4.491) 4.593 2.726 ( 0.895 -1.271 4.337) 4.607 2.789 ( -0.032 1.105 -1.954) 2.245 2.912 ( -1.211 -0.152 3.749) 3.943 2.994 ( -0.394 1.925 -2.500) 3.179 3.084 ( 0.686 7.732 7.241) 10.615 3.248 ( -1.151 4.637 -6.310) 7.914 3.452 ( -0.851 0.128 1.518) 1.744 3.493 ( 0.301 -0.657 -2.197) 2.313 3.628 ( 2.303 6.149 8.090) 10.419 3.724 ( 1.886 4.723 -1.006) 5.184 3.821 ( 5.467 2.317 4.016) 7.168 3.944 ( 5.923 0.898 -6.223) 8.638 4.117 ( 5.765 4.579 4.410) 8.583 4.254 ( 4.700 5.727 -8.927) 11.602 4.385 ( 3.517 3.293 6.723) 8.271 4.534 ( -0.486 2.309 -4.767) 5.319 4.695 ( 1.207 8.354 3.337) 9.076 4.818 ( 2.403 7.555 -5.635) 9.726 5.062 ( 10.765 2.924 1.842) 11.306 5.135 ( 6.700 4.067 -2.971) 8.382 5.338 ( 12.257 -1.858 6.911) 14.193 5.458 ( 8.686 -1.808 -1.388) 8.980 5.545 ( 12.019 -4.892 4.526) 13.743 5.661 ( 8.416 -5.580 -5.637) 11.565 5.855 ( 5.981 3.542 2.892) 7.529 5.955 ( 2.882 5.912 -6.246) 9.070 6.145 ( 4.755 2.102 3.533) 6.286 6.233 ( 6.016 0.479 -1.733) 6.279 6.390 ( 3.442 -2.083 0.567) 4.063 6.469 ( 8.212 -2.338 -5.055) 9.922 6.659 ( 2.226 1.937 3.045) 4.240 6.754 ( 3.555 3.081 -3.598) 5.922 6.905 ( 2.129 2.228 4.746) 5.659 6.991 ( 8.839 0.155 -2.968) 9.325 7.209 ( 0.155 -5.645 6.971) 8.971 7.353 ( 1.567 -3.706 -6.109) 7.315 7.721 ( 1.828 0.193 4.689) 5.037 7.785 ( -1.783 0.289 -1.108) 2.119 8.064 ( -5.384 -8.730 5.962) 11.863 8.236 ( -1.587 -12.039 -9.741) 15.567 8.927 ( 4.077 6.007 5.783) 9.282 9.026 ( 5.988 6.562 -3.450) 9.530 9.192 ( 1.217 0.367 7.369) 7.478 9.370 ( 0.676 -0.609 -9.136) 9.182 9.973 ( 1.510 -4.911 4.741) 6.990 10.076 ( 0.649 -8.011 -4.676) 9.298 10.786 ( -9.098 -1.837 -0.508) 9.295 10.845 ( -9.286 -0.821 -5.319) 10.733 11.471 ( 2.209 -1.167 3.122) 3.999 11.535 ( 2.136 -0.690 -2.686) 3.500 11.899 ( -2.113 6.810 6.709) 9.790 12.041 ( -3.103 4.038 -6.443) 8.212 12.485 ( -0.776 -1.766 3.470) 3.970 12.545 ( -2.614 -1.037 -1.674) 3.273 13.002 ( 3.377 -6.830 7.116) 10.425 13.160 ( 3.192 -7.729 -7.334) 11.123 13.237 ( 4.202 -1.256 6.236) 7.624 13.346 ( 4.799 -1.792 -3.450) 6.176 13.789 ( -7.000 -2.156 8.773) 11.429 13.955 ( -6.885 -5.554 -6.688) 11.090 19.895 ( 6.702 2.488 0.979) 7.216 19.925 ( 6.562 1.870 -2.036) 7.120 20.130 ( 4.327 2.753 0.786) 5.189 20.160 ( 3.352 2.118 -1.922) 4.406 20.562 ( 1.068 4.852 1.329) 5.143 20.607 ( -0.077 5.942 -3.100) 6.702 20.859 ( 1.000 -2.170 4.375) 4.985 20.936 ( -0.839 -2.974 -2.905) 4.241 21.354 ( -2.559 1.292 4.925) 5.699 21.419 ( -3.643 0.051 -1.064) 3.795 21.866 ( -5.565 -0.680 4.285) 7.057 21.973 ( -6.497 -1.495 -5.654) 8.742 22.471 ( -1.046 10.524 5.412) 11.880 22.579 ( -1.387 11.463 -4.766) 12.492 23.174 ( 3.295 -12.275 4.541) 13.496 23.278 ( 1.695 -10.955 -5.270) 12.274 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 10.184 12.123 6.169) 16.992 2.106 ( 6.717 8.781 -4.521) 11.944 2.187 ( 9.566 6.081 6.662) 13.148 2.254 ( 3.605 3.154 1.918) 5.160 2.355 ( 1.716 3.484 -2.473) 4.604 2.402 ( -0.914 3.558 -5.064) 6.256 2.491 ( 2.873 0.157 1.648) 3.316 2.565 ( 4.409 0.614 -4.137) 6.077 2.698 ( -2.910 2.372 3.731) 5.293 2.769 ( -0.935 3.002 -3.384) 4.619 2.871 ( -2.898 -0.285 2.917) 4.122 2.961 ( -3.120 -0.240 -4.708) 5.653 3.086 ( -0.221 6.270 7.141) 9.506 3.216 ( -2.176 3.837 -3.945) 5.918 3.403 ( -3.354 0.072 0.525) 3.395 3.463 ( -3.364 -1.735 -4.214) 5.664 3.695 ( 3.706 5.927 3.268) 7.717 3.771 ( 2.666 5.422 -3.420) 6.943 3.951 ( 7.679 -0.811 5.564) 9.518 4.061 ( 5.899 1.012 -3.620) 6.995 4.253 ( 6.870 3.450 3.565) 8.474 4.327 ( 0.436 4.691 -4.123) 6.261 4.437 ( 3.027 2.559 0.878) 4.060 4.495 ( -2.136 1.361 -3.139) 4.034 4.733 ( 2.771 11.623 1.802) 12.084 4.852 ( 0.771 9.992 -7.990) 12.817 5.254 ( 8.730 -0.106 1.293) 8.826 5.281 ( 8.200 -0.235 0.034) 8.203 5.562 ( 7.381 -1.335 4.219) 8.606 5.614 ( 8.324 1.514 3.371) 9.107 5.708 ( 2.241 -3.199 -2.075) 4.423 5.799 ( 7.859 0.300 -7.063) 10.570 5.924 ( 3.328 1.120 3.036) 4.642 5.995 ( 2.176 0.998 -4.223) 4.854 6.252 ( 5.099 -1.675 4.948) 7.300 6.362 ( 4.428 -2.783 -3.858) 6.499 6.497 ( 7.529 0.779 5.471) 9.339 6.604 ( 5.159 -1.506 -3.717) 6.534 6.729 ( 4.881 5.973 1.633) 7.884 6.814 ( 3.777 4.536 -4.489) 7.416 6.971 ( 3.871 2.607 8.891) 10.042 7.128 ( 3.767 -0.137 -5.882) 6.986 7.296 ( 8.433 -4.883 8.910) 13.204 7.431 ( 6.925 -4.768 -3.255) 9.016 7.721 ( -1.482 -0.313 4.607) 4.850 7.755 ( -0.591 0.033 1.275) 1.406 7.972 ( -3.826 -7.069 10.350) 13.105 8.175 ( -5.574 -11.412 -8.716) 15.403 8.987 ( 2.613 7.989 6.883) 10.864 9.122 ( 2.864 7.413 -4.537) 9.151 9.225 ( 1.867 3.631 4.829) 6.323 9.375 ( -0.414 3.233 -8.544) 9.145 10.038 ( 5.686 -3.979 1.081) 7.024 10.116 ( 4.021 -6.215 -5.848) 9.433 10.595 ( -10.638 -4.668 -2.421) 11.866 10.656 ( -10.381 -5.690 -7.367) 13.943 11.497 ( 1.041 0.654 3.358) 3.576 11.544 ( -0.363 1.182 -0.918) 1.540 11.871 ( -1.170 4.963 5.064) 7.187 11.964 ( -4.470 1.741 -3.441) 5.903 12.500 ( 1.701 -0.057 2.367) 2.916 12.535 ( 0.897 1.716 -0.487) 1.996 13.069 ( 3.964 -6.746 7.080) 10.552 13.202 ( 2.374 -6.420 -5.378) 8.705 13.311 ( 2.075 -6.281 6.165) 9.043 13.403 ( -0.515 -3.967 -0.933) 4.107 13.700 ( -1.022 -2.570 5.018) 5.729 13.845 ( -4.277 -4.967 -7.534) 9.986 20.031 ( 6.949 3.344 0.528) 7.730 20.051 ( 6.245 3.037 -1.444) 7.093 20.208 ( 3.219 2.545 -0.463) 4.130 20.220 ( 3.251 2.400 -1.453) 4.294 20.582 ( 1.006 2.774 1.076) 3.141 20.613 ( 1.122 2.887 -1.763) 3.564 20.844 ( -3.373 -2.674 3.239) 5.387 20.891 ( -4.116 -3.832 -1.445) 5.806 21.326 ( 0.910 0.403 3.804) 3.932 21.374 ( 0.064 -0.142 -0.523) 0.545 21.735 ( -8.125 2.719 2.626) 8.961 21.811 ( -10.156 1.836 -4.179) 11.135 22.478 ( 1.585 11.180 4.428) 12.129 22.560 ( -0.615 12.159 -3.297) 12.613 23.247 ( 3.870 -12.839 2.336) 13.612 23.313 ( 1.716 -11.751 -3.897) 12.499 ======================= Grid point 148 (55/60) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 6.179 10.667 3.925) 12.937 2.200 ( 1.417 9.835 0.818) 9.970 2.261 ( 1.617 2.985 -0.244) 3.403 2.318 ( -2.320 3.423 -3.579) 5.469 2.380 ( 5.824 5.553 3.054) 8.607 2.445 ( 1.747 5.267 -1.324) 5.705 2.529 ( 0.994 0.067 1.634) 1.914 2.572 ( -2.670 -0.115 -0.722) 2.768 2.702 ( 3.321 4.093 1.729) 5.547 2.769 ( -0.694 0.575 -1.672) 1.900 2.816 ( -0.670 4.375 -2.371) 5.022 2.882 ( -4.716 0.942 -5.496) 7.303 3.102 ( 2.289 4.034 6.668) 8.123 3.162 ( -3.389 3.374 2.024) 5.193 3.360 ( -0.472 0.503 -3.055) 3.132 3.391 ( -3.341 -0.884 -5.052) 6.122 3.760 ( 2.936 4.684 -1.277) 5.674 3.795 ( -0.436 4.828 -4.552) 6.650 4.099 ( 7.376 -2.224 3.142) 8.320 4.168 ( 4.020 -2.053 -3.107) 5.480 4.261 ( -3.842 7.144 1.875) 8.325 4.299 ( -3.128 6.455 -1.486) 7.325 4.490 ( 2.196 0.063 2.320) 3.195 4.502 ( 1.417 0.279 1.021) 1.768 4.792 ( 3.115 13.409 -2.839) 14.055 4.842 ( -1.785 12.231 -6.795) 14.105 5.389 ( 5.136 -4.552 2.008) 7.151 5.412 ( 3.812 -5.406 0.523) 6.636 5.599 ( 0.708 3.783 0.430) 3.872 5.652 ( -3.682 2.101 -4.043) 5.858 5.821 ( 8.652 2.147 5.693) 10.577 5.921 ( 1.037 0.695 0.721) 1.441 5.969 ( 2.239 -0.439 -3.086) 3.838 6.015 ( -0.554 -1.129 -3.828) 4.029 6.327 ( 3.121 -3.443 2.362) 5.214 6.374 ( -1.572 -4.378 -1.491) 4.885 6.655 ( 6.900 1.841 4.126) 8.248 6.696 ( 3.531 0.522 2.084) 4.133 6.786 ( 1.688 4.408 -1.540) 4.965 6.848 ( -2.196 3.573 -4.716) 6.311 7.052 ( 5.159 0.792 5.964) 7.925 7.134 ( -2.494 -0.244 -1.736) 3.048 7.478 ( 8.684 -5.939 6.950) 12.609 7.564 ( 2.450 -8.532 -0.447) 8.888 7.708 ( 3.148 3.728 5.244) 7.163 7.776 ( 1.138 0.945 -0.564) 1.583 7.914 ( -1.155 -4.828 10.069) 11.226 8.018 ( -9.692 -6.911 -1.089) 11.954 9.049 ( 3.983 8.531 4.933) 10.629 9.122 ( -2.691 8.832 1.192) 9.309 9.268 ( 3.174 3.932 -2.041) 5.450 9.339 ( -3.405 4.568 -6.233) 8.445 10.181 ( 8.632 -3.142 -2.416) 9.498 10.236 ( 7.346 -5.051 -7.170) 11.440 10.397 ( -8.879 -6.652 -3.204) 11.548 10.455 ( -10.214 -8.136 -8.055) 15.342 11.518 ( 1.137 1.637 2.970) 3.577 11.535 ( -0.572 1.904 1.492) 2.486 11.857 ( 0.179 2.790 1.497) 3.171 11.888 ( -3.037 1.389 -1.206) 3.551 12.534 ( 1.515 2.885 1.952) 3.798 12.549 ( 0.068 3.934 0.702) 3.997 13.159 ( 5.389 -8.728 6.262) 12.018 13.243 ( -0.475 -12.827 -1.132) 12.885 13.303 ( -0.653 -1.390 4.055) 4.336 13.348 ( -3.409 -3.381 0.754) 4.860 13.735 ( 3.077 -4.869 -0.754) 5.809 13.787 ( -2.381 -5.480 -4.976) 7.776 20.133 ( 3.210 5.060 -0.786) 6.044 20.143 ( 2.473 5.087 -1.713) 5.910 20.254 ( 2.059 2.866 0.510) 3.566 20.271 ( 1.043 3.321 -0.997) 3.621 20.612 ( 2.747 -0.247 2.181) 3.516 20.651 ( 1.580 -1.112 -1.303) 2.331 20.751 ( -3.942 -4.205 2.354) 6.226 20.791 ( -5.527 -4.977 -1.436) 7.574 21.403 ( 6.580 2.198 2.370) 7.331 21.436 ( 5.884 1.792 -0.712) 6.192 21.569 ( -8.491 3.135 1.623) 9.196 21.610 ( -10.005 2.698 -2.092) 10.572 22.517 ( 2.051 12.050 2.109) 12.404 22.546 ( -1.012 12.432 -0.704) 12.493 23.309 ( 2.358 -12.744 0.091) 12.961 23.332 ( -0.017 -12.331 -2.035) 12.497 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 0.000 14.741 7.674) 16.619 1.808 ( 0.000 12.529 11.116) 16.750 2.012 ( 0.000 3.382 -4.116) 5.328 2.061 ( 0.000 -2.525 -0.908) 2.683 2.160 ( 0.000 -0.255 -1.179) 1.206 2.212 ( 0.000 -5.896 -3.463) 6.837 2.298 ( 0.000 -4.408 -2.397) 5.018 2.370 ( 0.000 -7.818 -6.739) 10.322 2.666 ( 0.000 2.326 2.020) 3.081 2.692 ( 0.000 -0.261 -0.434) 0.507 3.026 ( 0.000 1.892 -0.701) 2.018 3.060 ( 0.000 -1.003 -3.585) 3.722 3.273 ( 0.000 12.062 7.374) 14.137 3.344 ( 0.000 3.673 -1.052) 3.820 3.414 ( 0.000 -2.009 1.869) 2.744 3.455 ( 0.000 -4.766 -1.123) 4.896 3.601 ( 0.000 6.311 9.220) 11.173 3.737 ( 0.000 -1.533 5.332) 5.548 3.794 ( 0.000 0.078 -6.173) 6.173 3.853 ( 0.000 -2.180 -4.514) 5.013 4.212 ( 0.000 10.518 6.930) 12.596 4.338 ( 0.000 0.952 -2.649) 2.815 4.462 ( 0.000 6.901 5.474) 8.808 4.540 ( 0.000 8.145 4.463) 9.287 4.636 ( 0.000 -0.993 3.646) 3.779 4.759 ( 0.000 -3.739 4.086) 5.539 4.901 ( 0.000 3.072 -0.606) 3.131 5.024 ( 0.000 -3.575 -1.586) 3.911 5.088 ( 0.000 1.866 -2.454) 3.083 5.128 ( 0.000 -2.065 -1.044) 2.314 5.235 ( 0.000 0.745 5.630) 5.680 5.316 ( 0.000 -6.376 -2.629) 6.896 5.763 ( 0.000 9.240 -2.299) 9.521 5.840 ( 0.000 3.598 -7.542) 8.356 6.070 ( 0.000 -2.453 -2.402) 3.433 6.116 ( 0.000 -4.359 -5.777) 7.237 6.262 ( 0.000 -2.051 -0.523) 2.117 6.306 ( 0.000 -5.308 -4.102) 6.708 6.576 ( 0.000 6.520 8.736) 10.901 6.693 ( 0.000 -4.466 4.248) 6.164 6.810 ( 0.000 7.045 -2.776) 7.572 6.893 ( 0.000 -1.298 -5.085) 5.248 7.343 ( 0.000 -0.731 0.588) 0.938 7.386 ( 0.000 -4.250 -2.787) 5.082 7.681 ( 0.000 9.870 2.329) 10.141 7.816 ( 0.000 5.995 -9.457) 11.197 7.948 ( 0.000 -11.964 1.181) 12.022 8.029 ( 0.000 -11.137 -5.582) 12.457 8.937 ( 0.000 6.295 6.073) 8.747 9.017 ( 0.000 5.304 -1.262) 5.452 9.068 ( 0.000 -6.296 5.690) 8.486 9.154 ( 0.000 -7.874 -1.801) 8.077 9.890 ( 0.000 -1.229 1.764) 2.150 9.922 ( 0.000 -4.795 -1.203) 4.944 11.031 ( 0.000 0.473 1.503) 1.575 11.072 ( 0.000 -3.470 -2.349) 4.190 11.371 ( 0.000 3.417 1.953) 3.936 11.397 ( 0.000 1.102 -0.216) 1.123 12.118 ( 0.000 4.489 -1.051) 4.611 12.155 ( 0.000 1.594 -4.259) 4.547 12.565 ( 0.000 -0.407 3.693) 3.716 12.642 ( 0.000 -7.519 -2.728) 7.998 12.827 ( 0.000 0.986 1.829) 2.078 12.861 ( 0.000 -1.883 -0.720) 2.015 13.190 ( 0.000 3.129 1.212) 3.355 13.252 ( 0.000 -2.785 -4.071) 4.933 13.951 ( 0.000 0.483 5.412) 5.433 14.004 ( 0.000 -4.965 0.654) 5.008 19.793 ( 0.000 1.339 -0.172) 1.350 19.802 ( 0.000 0.518 -1.084) 1.201 20.081 ( 0.000 2.112 1.835) 2.798 20.100 ( 0.000 0.324 0.217) 0.390 20.634 ( 0.000 4.279 2.453) 4.932 20.678 ( 0.000 1.107 -0.548) 1.235 20.819 ( 0.000 1.066 -0.172) 1.080 20.879 ( 0.000 -3.804 -4.526) 5.912 21.525 ( 0.000 6.583 4.153) 7.784 21.578 ( 0.000 3.435 -0.382) 3.456 21.839 ( 0.000 -4.228 3.267) 5.344 21.910 ( 0.000 -8.805 -3.123) 9.343 22.728 ( 0.000 10.278 4.498) 11.220 22.830 ( 0.000 11.441 -4.765) 12.394 22.930 ( 0.000 -9.555 5.661) 11.106 23.057 ( 0.000 -10.683 -6.182) 12.343 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 6.688 12.945 7.695) 16.478 1.912 ( 9.157 10.397 9.140) 16.597 2.039 ( 3.191 3.764 -1.619) 5.193 2.115 ( 4.524 -0.165 -3.650) 5.815 2.200 ( 4.208 -2.698 2.184) 5.455 2.248 ( 3.517 -6.499 -1.481) 7.536 2.356 ( 4.680 -1.969 -4.513) 6.793 2.412 ( 3.986 -5.333 -7.256) 9.848 2.683 ( 1.902 1.757 2.321) 3.477 2.711 ( 2.728 -0.952 -0.346) 2.910 2.992 ( -3.305 1.849 -0.736) 3.858 3.030 ( -2.824 -1.497 -4.072) 5.176 3.287 ( 0.971 11.549 6.568) 13.322 3.360 ( 0.938 4.595 -1.402) 4.894 3.438 ( 1.445 -2.273 0.968) 2.862 3.457 ( 0.121 -4.245 -0.178) 4.251 3.633 ( 3.375 5.476 9.011) 11.071 3.749 ( 1.253 -2.086 4.860) 5.435 3.812 ( 2.045 1.344 -5.247) 5.790 3.861 ( 1.164 -1.684 -4.952) 5.358 4.207 ( 0.162 8.902 5.012) 10.217 4.311 ( -1.348 0.083 -2.641) 2.967 4.441 ( 0.017 8.397 5.114) 9.831 4.556 ( -0.243 -0.551 -1.425) 1.547 4.726 ( 7.107 3.747 6.672) 10.443 4.811 ( 5.368 -2.203 3.966) 7.028 4.985 ( 6.161 4.407 -2.962) 8.134 5.054 ( 4.845 -1.164 -1.123) 5.108 5.146 ( 6.728 2.446 2.966) 7.749 5.230 ( 8.687 -4.828 3.230) 10.450 5.307 ( 6.837 1.540 0.246) 7.013 5.381 ( 7.237 -5.626 -4.901) 10.395 5.837 ( 6.685 8.708 -0.868) 11.012 5.929 ( 8.295 2.524 -7.589) 11.523 6.102 ( 2.586 -1.997 -2.091) 3.879 6.148 ( 2.783 -4.110 -5.927) 7.731 6.265 ( 1.436 -1.260 -0.426) 1.958 6.303 ( 0.359 -4.052 -3.681) 5.486 6.637 ( 5.781 6.016 8.685) 12.043 6.754 ( 6.101 -4.776 4.846) 9.139 6.821 ( 1.397 6.952 -1.138) 7.181 6.911 ( 2.226 -1.330 -3.703) 4.520 7.251 ( -7.763 0.484 1.977) 8.026 7.318 ( -5.320 -4.801 -3.205) 7.850 7.722 ( 3.146 7.638 1.453) 8.387 7.825 ( 0.367 3.596 -6.767) 7.672 7.945 ( -0.778 -9.143 0.655) 9.199 8.028 ( -0.856 -11.539 -6.261) 13.156 8.973 ( 3.715 6.916 5.697) 9.700 9.053 ( 4.145 6.692 -1.444) 8.003 9.097 ( 3.043 -5.078 6.181) 8.558 9.207 ( 4.733 -8.090 -3.587) 10.036 9.885 ( -0.256 -1.352 1.468) 2.012 9.920 ( 0.018 -5.056 -1.763) 5.354 10.959 ( -7.076 1.354 0.556) 7.226 11.003 ( -7.119 -2.564 -3.453) 8.317 11.409 ( 3.599 2.529 2.847) 5.239 11.446 ( 4.167 -0.551 -0.257) 4.211 12.075 ( -3.873 4.513 0.473) 5.966 12.131 ( -2.892 -0.528 -4.441) 5.326 12.531 ( -2.792 1.693 4.014) 5.175 12.591 ( -3.151 -3.154 -0.824) 4.534 12.852 ( 1.460 -0.841 1.631) 2.345 12.906 ( 3.974 -5.514 -2.554) 7.260 13.220 ( 2.652 2.558 1.727) 4.069 13.265 ( 1.536 -1.842 -2.142) 3.216 13.900 ( -4.927 0.972 4.560) 6.783 13.959 ( -4.482 -4.818 -0.816) 6.631 19.832 ( 3.971 1.472 -0.097) 4.237 19.842 ( 4.109 0.469 -1.174) 4.299 20.108 ( 2.581 1.831 1.459) 3.485 20.124 ( 2.431 0.190 -0.046) 2.439 20.649 ( 1.373 5.060 2.644) 5.872 20.705 ( 2.399 2.029 -1.259) 3.385 20.799 ( -1.733 -0.162 0.628) 1.851 20.868 ( -0.997 -4.579 -4.394) 6.424 21.488 ( -3.680 4.897 4.790) 7.776 21.533 ( -4.502 1.486 1.201) 4.891 21.859 ( 1.691 -1.513 1.499) 2.720 21.925 ( 1.153 -6.673 -4.117) 7.925 22.711 ( -1.591 10.407 5.395) 11.830 22.823 ( -1.153 10.494 -4.350) 11.418 22.925 ( 0.143 -9.358 5.051) 10.635 23.052 ( -0.195 -10.721 -6.386) 12.480 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 8.446 10.482 5.955) 14.720 2.094 ( 9.143 3.893 6.381) 11.810 2.128 ( 5.590 5.488 -0.927) 7.888 2.211 ( 5.066 0.223 -2.266) 5.554 2.290 ( 4.478 -2.650 3.318) 6.171 2.345 ( 6.132 -5.480 4.056) 9.169 2.437 ( 4.169 2.790 -7.925) 9.379 2.497 ( 4.219 -2.371 -8.087) 9.424 2.738 ( 3.171 2.688 4.320) 5.995 2.793 ( 4.356 -1.575 0.409) 4.650 2.914 ( -4.271 1.735 -1.638) 4.893 2.971 ( -2.729 -2.924 -5.502) 6.802 3.286 ( -1.556 9.622 4.792) 10.861 3.352 ( -1.864 4.998 -0.993) 5.426 3.426 ( -2.069 -2.539 0.924) 3.403 3.463 ( -0.441 -3.120 -1.957) 3.709 3.722 ( 5.203 3.985 7.687) 10.101 3.786 ( 2.777 -0.678 3.127) 4.237 3.860 ( 2.598 2.406 -1.937) 4.036 3.918 ( 4.774 -2.797 -5.914) 8.099 4.238 ( 3.309 6.924 3.554) 8.457 4.323 ( 2.441 -0.275 -4.627) 5.238 4.469 ( 2.347 5.050 3.061) 6.355 4.545 ( -0.686 -1.736 -2.262) 2.933 4.844 ( 5.084 6.237 5.406) 9.694 4.918 ( 5.296 0.482 1.099) 5.430 5.106 ( 6.392 2.619 -0.822) 6.956 5.165 ( 5.472 -1.469 -3.317) 6.565 5.347 ( 13.177 3.123 4.978) 14.428 5.439 ( 12.060 -5.409 6.115) 14.564 5.478 ( 10.826 3.832 -4.737) 12.422 5.569 ( 11.009 -4.380 -5.298) 12.979 5.957 ( 4.334 6.883 0.410) 8.144 6.055 ( 2.384 2.118 -7.347) 8.009 6.148 ( 1.607 -1.923 -1.044) 2.715 6.202 ( 3.564 -3.950 -4.968) 7.279 6.350 ( 7.199 0.400 1.137) 7.299 6.385 ( 8.972 -3.532 -2.318) 9.917 6.761 ( 6.352 7.244 8.049) 12.554 6.874 ( 4.017 5.223 -0.399) 6.601 6.893 ( 7.128 -2.336 6.856) 10.162 6.996 ( 6.274 -3.005 -1.459) 7.107 7.133 ( -2.054 1.819 4.855) 5.576 7.246 ( -1.070 -6.768 -4.126) 7.999 7.767 ( 0.648 4.433 2.377) 5.072 7.820 ( -0.595 3.254 -1.948) 3.839 7.903 ( -3.845 -6.403 0.955) 7.530 7.993 ( -1.847 -11.138 -6.879) 13.221 9.061 ( 4.697 6.629 5.889) 10.034 9.143 ( 3.590 1.540 2.014) 4.395 9.196 ( 7.542 2.930 0.689) 8.121 9.311 ( 5.664 -5.363 -6.271) 10.008 9.895 ( 1.790 -1.446 0.401) 2.336 9.935 ( 1.873 -5.259 -3.273) 6.471 10.776 ( -11.639 0.811 -1.835) 11.810 10.813 ( -12.230 -2.410 -5.090) 13.465 11.484 ( 3.741 2.504 3.879) 5.942 11.527 ( 3.788 -0.970 0.182) 3.914 11.990 ( -4.671 2.674 1.505) 5.589 12.045 ( -5.742 -2.743 -3.397) 7.213 12.500 ( 0.285 3.912 5.145) 6.470 12.561 ( 0.345 0.214 0.735) 0.840 12.886 ( 2.110 -1.985 1.979) 3.508 12.975 ( 2.918 -8.886 -4.717) 10.475 13.269 ( 2.371 2.666 4.823) 5.999 13.315 ( 3.248 -1.776 1.318) 3.929 13.783 ( -6.639 1.702 1.575) 7.032 13.850 ( -6.283 -4.725 -4.339) 8.979 19.938 ( 6.872 1.584 0.055) 7.052 19.950 ( 6.841 0.436 -1.131) 6.948 20.172 ( 3.909 1.407 0.563) 4.192 20.183 ( 3.506 0.276 -0.462) 3.547 20.666 ( -0.134 5.551 2.439) 6.065 20.723 ( -1.779 4.902 -2.147) 5.640 20.787 ( 1.105 -3.967 1.517) 4.389 20.850 ( -0.961 -5.331 -3.576) 6.490 21.400 ( -4.693 2.685 5.054) 7.402 21.431 ( -5.136 -0.028 2.650) 5.779 21.871 ( -1.476 1.537 -0.175) 2.138 21.924 ( -2.309 -3.195 -4.669) 6.110 22.685 ( -0.503 10.697 6.087) 12.318 22.793 ( -1.237 7.745 -3.008) 8.400 22.950 ( 2.252 -7.967 3.143) 8.855 23.058 ( 0.818 -10.884 -5.991) 12.451 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 6.849 6.872 3.628) 10.358 2.231 ( 5.279 3.951 -0.846) 6.648 2.249 ( 5.481 -0.059 3.334) 6.415 2.286 ( 3.449 -1.262 -0.181) 3.677 2.388 ( 5.786 3.006 4.017) 7.659 2.452 ( 4.534 -1.803 2.856) 5.654 2.516 ( 3.558 3.093 -5.452) 7.208 2.562 ( 2.089 -1.294 -4.710) 5.313 2.773 ( 0.719 4.460 1.998) 4.940 2.831 ( -0.328 1.796 -1.287) 2.234 2.859 ( -0.914 0.480 -1.246) 1.618 2.930 ( -2.178 -3.124 -5.340) 6.559 3.237 ( -2.746 7.356 5.377) 9.516 3.302 ( -3.004 3.375 1.350) 4.716 3.382 ( -2.196 -1.017 -1.153) 2.681 3.431 ( -2.773 -2.393 -3.668) 5.183 3.800 ( 3.155 4.447 3.058) 6.252 3.868 ( 5.161 1.089 1.418) 5.462 3.912 ( 2.651 0.683 -1.714) 3.230 4.010 ( 4.132 -5.085 -6.166) 8.997 4.329 ( 5.571 3.810 4.081) 7.887 4.377 ( 2.357 -0.340 -0.758) 2.499 4.501 ( 0.614 3.191 -0.406) 3.275 4.527 ( -1.405 0.767 -2.150) 2.680 4.941 ( 5.352 8.407 2.649) 10.312 5.007 ( 4.029 3.543 -1.753) 5.644 5.215 ( 4.544 -1.566 -0.940) 4.897 5.252 ( 3.402 -3.093 -2.476) 5.222 5.590 ( 10.467 2.980 2.625) 11.195 5.634 ( 7.824 -0.337 0.694) 7.862 5.684 ( 9.154 2.210 -0.458) 9.428 5.763 ( 8.349 -3.826 -4.525) 10.239 6.002 ( 1.568 6.203 -0.185) 6.401 6.061 ( -0.027 4.000 -4.616) 6.108 6.179 ( 1.726 -4.486 0.874) 4.885 6.243 ( 0.424 -7.889 -4.335) 9.012 6.525 ( 9.596 1.822 3.551) 10.393 6.561 ( 8.295 -1.975 0.348) 8.534 6.876 ( 4.662 7.194 2.904) 9.051 6.914 ( 0.084 4.242 -0.316) 4.255 7.020 ( 5.452 2.190 7.133) 9.241 7.106 ( 6.119 -4.466 2.344) 7.930 7.210 ( 6.574 -0.226 2.465) 7.025 7.298 ( 5.897 -7.279 -2.453) 9.684 7.741 ( -1.460 2.567 5.527) 6.267 7.794 ( -2.706 1.500 1.967) 3.667 7.857 ( 0.599 -2.018 3.384) 3.985 7.969 ( -1.431 -9.088 -5.178) 10.557 9.130 ( 2.555 5.972 6.800) 9.404 9.197 ( 2.113 -0.168 4.540) 5.010 9.323 ( 4.511 5.556 -4.409) 8.406 9.401 ( 3.022 -1.449 -7.829) 8.516 9.970 ( 6.175 -1.397 -1.995) 6.638 10.003 ( 5.400 -4.411 -5.077) 8.625 10.535 ( -12.788 -0.995 -4.337) 13.541 10.562 ( -13.158 -3.477 -6.564) 15.110 11.547 ( 2.947 3.947 4.722) 6.824 11.584 ( 2.323 1.344 1.584) 3.116 11.901 ( -4.504 -0.850 -0.009) 4.584 11.929 ( -5.895 -3.554 -2.375) 7.282 12.545 ( 4.002 5.118 6.654) 9.299 12.603 ( 3.513 2.352 2.995) 5.181 12.923 ( 1.408 -4.201 1.319) 4.623 13.009 ( 0.387 -10.202 -5.048) 11.390 13.310 ( 1.819 3.217 8.755) 9.503 13.364 ( 1.338 -1.584 6.046) 6.392 13.675 ( -3.844 0.884 -4.191) 5.755 13.740 ( -4.746 -5.033 -8.285) 10.794 20.084 ( 7.992 1.735 0.114) 8.179 20.093 ( 7.836 0.885 -0.815) 7.927 20.246 ( 3.321 1.279 -0.176) 3.563 20.253 ( 3.686 0.682 -0.717) 3.817 20.644 ( -1.699 3.349 1.639) 4.098 20.672 ( -2.870 2.047 -0.670) 3.588 20.777 ( -3.124 -2.596 0.474) 4.089 20.806 ( -4.288 -4.116 -1.920) 6.246 21.357 ( 1.320 2.081 3.911) 4.623 21.382 ( 0.885 -0.065 1.937) 2.130 21.785 ( -7.212 2.338 -0.292) 7.587 21.820 ( -8.159 -0.851 -3.273) 8.833 22.707 ( 2.666 11.562 4.890) 12.834 22.790 ( 0.697 9.488 -2.315) 9.792 23.000 ( 2.735 -10.240 1.885) 10.766 23.076 ( 0.735 -11.672 -4.658) 12.588 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 2.893 3.237 2.991) 5.272 2.289 ( 0.677 1.453 2.868) 3.286 2.327 ( 3.750 2.065 -1.310) 4.477 2.353 ( 1.783 -0.332 -2.117) 2.788 2.478 ( 2.789 3.246 3.044) 5.251 2.501 ( 0.565 0.599 3.003) 3.114 2.559 ( 0.970 1.436 -1.951) 2.609 2.573 ( -0.187 -0.151 -1.780) 1.796 2.793 ( 1.495 4.673 -1.009) 5.009 2.818 ( -0.916 4.330 -3.317) 5.531 2.858 ( 0.619 -0.847 -2.365) 2.587 2.884 ( -2.116 -1.307 -4.485) 5.128 3.211 ( 0.420 5.867 6.552) 8.805 3.246 ( -2.736 3.800 4.556) 6.533 3.352 ( -0.478 -0.998 -2.481) 2.717 3.373 ( -2.550 -1.465 -3.317) 4.433 3.861 ( 3.097 5.816 -1.268) 6.710 3.905 ( -1.047 6.578 -4.974) 8.314 3.995 ( 5.145 -7.028 0.513) 8.725 4.054 ( -0.231 -7.656 -4.663) 8.968 4.398 ( 1.752 4.961 2.369) 5.770 4.422 ( 1.463 3.777 0.410) 4.071 4.486 ( -0.873 0.029 1.334) 1.595 4.504 ( -1.078 -0.558 -0.173) 1.226 5.038 ( 4.045 10.332 -0.219) 11.097 5.066 ( 1.411 8.908 -2.181) 9.279 5.271 ( 1.473 -6.531 -1.433) 6.847 5.285 ( 0.123 -6.711 -2.233) 7.073 5.714 ( 3.114 6.103 -0.197) 6.855 5.727 ( 1.814 4.375 -1.620) 5.005 5.816 ( 4.572 -1.559 0.923) 4.917 5.853 ( 0.915 -4.425 -2.028) 4.952 6.045 ( 2.764 5.983 -0.131) 6.592 6.075 ( 0.315 5.584 -2.389) 6.082 6.208 ( 1.472 -7.733 0.125) 7.873 6.234 ( -1.032 -8.504 -2.002) 8.798 6.694 ( 7.464 1.513 3.560) 8.407 6.706 ( 7.038 0.274 3.106) 7.698 6.861 ( -4.023 2.467 -0.877) 4.799 6.884 ( -4.659 0.196 -2.484) 5.284 7.126 ( 5.439 6.327 6.480) 10.565 7.184 ( 0.360 4.402 2.254) 4.959 7.323 ( 5.212 -7.323 3.014) 9.480 7.379 ( 0.497 -9.100 -0.998) 9.168 7.769 ( 4.476 2.347 6.168) 7.974 7.800 ( 3.093 0.157 4.800) 5.712 7.858 ( -1.187 -0.125 3.770) 3.955 7.910 ( -4.896 -4.264 0.253) 6.497 9.178 ( 2.702 4.464 7.354) 9.018 9.216 ( -0.512 0.912 7.235) 7.310 9.371 ( 1.720 5.039 -7.964) 9.580 9.411 ( -1.682 1.388 -8.399) 8.677 10.120 ( 8.919 -1.855 -4.790) 10.292 10.137 ( 8.346 -3.584 -6.270) 11.036 10.309 ( -10.442 -2.035 -5.813) 12.123 10.330 ( -10.913 -4.085 -7.359) 13.782 11.599 ( 2.275 5.707 5.131) 8.005 11.616 ( 0.728 4.940 3.815) 6.284 11.830 ( -2.349 -4.584 -1.950) 5.508 11.837 ( -3.143 -4.960 -2.412) 6.349 12.629 ( 3.976 6.836 7.449) 10.864 12.660 ( 1.286 6.104 5.826) 8.536 12.943 ( 1.318 -9.377 -0.676) 9.493 12.986 ( -2.514 -11.526 -3.475) 12.298 13.339 ( 1.340 3.501 9.891) 10.577 13.363 ( -1.015 1.716 9.376) 9.585 13.647 ( 0.462 -2.742 -9.046) 9.464 13.675 ( -2.287 -4.927 -10.063) 11.435 20.219 ( 5.182 3.185 -0.068) 6.083 20.230 ( 5.186 2.738 -1.082) 5.964 20.288 ( 1.160 0.911 0.451) 1.542 20.305 ( 0.927 -0.022 -1.048) 1.399 20.622 ( -0.083 1.102 1.231) 1.654 20.637 ( -0.206 -0.366 -0.004) 0.420 20.685 ( -4.844 -1.862 0.805) 5.252 20.703 ( -5.202 -3.416 -0.930) 6.293 21.449 ( 7.482 2.032 1.787) 7.956 21.466 ( 7.260 0.573 0.270) 7.288 21.620 ( -9.313 1.939 0.396) 9.521 21.640 ( -9.867 0.151 -1.388) 9.965 22.765 ( 2.735 12.567 2.600) 13.121 22.797 ( -0.495 12.198 -0.178) 12.209 23.048 ( 2.202 -12.684 -0.262) 12.876 23.077 ( -0.708 -12.744 -2.720) 13.050 =================== 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 3/26460 10.0 2186.225 2352.212 2199.252 0.000 0.000 0.000 3/26460 20.0 276.745 254.955 273.165 0.000 0.000 0.000 3/26460 30.0 82.810 76.853 80.566 0.000 0.000 0.000 3/26460 40.0 38.782 36.196 37.592 0.000 0.000 0.000 3/26460 50.0 23.093 21.615 22.264 0.000 0.000 0.000 3/26460 60.0 15.848 14.836 15.170 0.000 0.000 0.000 3/26460 70.0 11.902 11.124 11.305 0.000 0.000 0.000 3/26460 80.0 9.492 8.849 8.949 0.000 0.000 0.000 3/26460 90.0 7.893 7.338 7.392 0.000 0.000 0.000 3/26460 100.0 6.764 6.272 6.298 0.000 0.000 0.000 3/26460 110.0 5.928 5.483 5.492 0.000 0.000 0.000 3/26460 120.0 5.284 4.877 4.875 0.000 0.000 0.000 3/26460 130.0 4.774 4.398 4.388 0.000 0.000 0.000 3/26460 140.0 4.360 4.010 3.994 0.000 0.000 0.000 3/26460 150.0 4.017 3.689 3.669 0.000 0.000 0.000 3/26460 160.0 3.727 3.420 3.396 0.000 0.000 0.000 3/26460 170.0 3.480 3.190 3.163 0.000 0.000 0.000 3/26460 180.0 3.266 2.991 2.961 0.000 0.000 0.000 3/26460 190.0 3.079 2.818 2.786 0.000 0.000 0.000 3/26460 200.0 2.914 2.665 2.631 0.000 0.000 0.000 3/26460 210.0 2.767 2.530 2.493 0.000 0.000 0.000 3/26460 220.0 2.635 2.409 2.370 0.000 0.000 0.000 3/26460 230.0 2.517 2.299 2.259 0.000 0.000 0.000 3/26460 240.0 2.409 2.200 2.158 0.000 0.000 0.000 3/26460 250.0 2.311 2.110 2.067 0.000 0.000 0.000 3/26460 260.0 2.221 2.028 1.983 0.000 0.000 0.000 3/26460 270.0 2.138 1.952 1.906 0.000 0.000 0.000 3/26460 280.0 2.061 1.882 1.835 0.000 0.000 0.000 3/26460 290.0 1.990 1.817 1.770 0.000 0.000 0.000 3/26460 300.0 1.924 1.757 1.709 0.000 0.000 0.000 3/26460 310.0 1.863 1.701 1.652 0.000 0.000 0.000 3/26460 320.0 1.805 1.648 1.599 0.000 0.000 0.000 3/26460 330.0 1.752 1.599 1.549 0.000 0.000 0.000 3/26460 340.0 1.701 1.553 1.503 0.000 0.000 0.000 3/26460 350.0 1.653 1.509 1.459 0.000 0.000 0.000 3/26460 360.0 1.608 1.468 1.418 0.000 0.000 0.000 3/26460 370.0 1.565 1.429 1.379 0.000 0.000 0.000 3/26460 380.0 1.525 1.393 1.342 0.000 0.000 0.000 3/26460 390.0 1.487 1.358 1.307 0.000 0.000 0.000 3/26460 400.0 1.450 1.325 1.274 0.000 0.000 0.000 3/26460 410.0 1.416 1.293 1.243 0.000 0.000 0.000 3/26460 420.0 1.383 1.263 1.213 0.000 0.000 0.000 3/26460 430.0 1.352 1.235 1.184 0.000 0.000 0.000 3/26460 440.0 1.322 1.207 1.157 0.000 0.000 0.000 3/26460 450.0 1.293 1.181 1.131 0.000 0.000 0.000 3/26460 460.0 1.265 1.156 1.107 0.000 0.000 0.000 3/26460 470.0 1.239 1.132 1.083 0.000 0.000 0.000 3/26460 480.0 1.214 1.109 1.060 0.000 0.000 0.000 3/26460 490.0 1.190 1.087 1.039 0.000 0.000 0.000 3/26460 500.0 1.166 1.066 1.018 0.000 0.000 0.000 3/26460 510.0 1.144 1.046 0.998 0.000 0.000 0.000 3/26460 520.0 1.123 1.026 0.978 0.000 0.000 0.000 3/26460 530.0 1.102 1.007 0.960 0.000 0.000 0.000 3/26460 540.0 1.082 0.989 0.942 0.000 0.000 0.000 3/26460 550.0 1.063 0.971 0.925 0.000 0.000 0.000 3/26460 560.0 1.044 0.954 0.908 0.000 0.000 0.000 3/26460 570.0 1.026 0.938 0.892 0.000 0.000 0.000 3/26460 580.0 1.009 0.922 0.877 0.000 0.000 0.000 3/26460 590.0 0.992 0.907 0.862 0.000 0.000 0.000 3/26460 600.0 0.976 0.892 0.848 0.000 0.000 0.000 3/26460 610.0 0.960 0.878 0.834 0.000 0.000 0.000 3/26460 620.0 0.945 0.864 0.820 0.000 0.000 0.000 3/26460 630.0 0.930 0.851 0.807 0.000 0.000 0.000 3/26460 640.0 0.916 0.838 0.795 0.000 0.000 0.000 3/26460 650.0 0.902 0.825 0.783 0.000 0.000 0.000 3/26460 660.0 0.889 0.813 0.771 0.000 0.000 0.000 3/26460 670.0 0.876 0.801 0.759 0.000 0.000 0.000 3/26460 680.0 0.863 0.789 0.748 0.000 0.000 0.000 3/26460 690.0 0.851 0.778 0.737 0.000 0.000 0.000 3/26460 700.0 0.839 0.767 0.727 0.000 0.000 0.000 3/26460 710.0 0.827 0.757 0.716 0.000 0.000 0.000 3/26460 720.0 0.816 0.746 0.707 0.000 0.000 0.000 3/26460 730.0 0.805 0.736 0.697 0.000 0.000 0.000 3/26460 740.0 0.794 0.727 0.687 0.000 0.000 0.000 3/26460 750.0 0.784 0.717 0.678 0.000 0.000 0.000 3/26460 760.0 0.774 0.708 0.669 0.000 0.000 0.000 3/26460 770.0 0.764 0.699 0.661 0.000 0.000 0.000 3/26460 780.0 0.754 0.690 0.652 0.000 0.000 0.000 3/26460 790.0 0.745 0.681 0.644 0.000 0.000 0.000 3/26460 800.0 0.735 0.673 0.636 0.000 0.000 0.000 3/26460 810.0 0.726 0.665 0.628 0.000 0.000 0.000 3/26460 820.0 0.718 0.657 0.620 0.000 0.000 0.000 3/26460 830.0 0.709 0.649 0.613 0.000 0.000 0.000 3/26460 840.0 0.701 0.641 0.606 0.000 0.000 0.000 3/26460 850.0 0.693 0.634 0.599 0.000 0.000 0.000 3/26460 860.0 0.685 0.627 0.592 0.000 0.000 0.000 3/26460 870.0 0.677 0.620 0.585 0.000 0.000 0.000 3/26460 880.0 0.669 0.613 0.578 0.000 0.000 0.000 3/26460 890.0 0.662 0.606 0.572 0.000 0.000 0.000 3/26460 900.0 0.655 0.599 0.565 0.000 0.000 0.000 3/26460 910.0 0.648 0.593 0.559 0.000 0.000 0.000 3/26460 920.0 0.641 0.586 0.553 0.000 0.000 0.000 3/26460 930.0 0.634 0.580 0.547 0.000 0.000 0.000 3/26460 940.0 0.627 0.574 0.541 0.000 0.000 0.000 3/26460 950.0 0.621 0.568 0.536 0.000 0.000 0.000 3/26460 960.0 0.614 0.562 0.530 0.000 0.000 0.000 3/26460 970.0 0.608 0.557 0.525 0.000 0.000 0.000 3/26460 980.0 0.602 0.551 0.519 0.000 0.000 0.000 3/26460 990.0 0.596 0.545 0.514 0.000 0.000 0.000 3/26460 1000.0 0.590 0.540 0.509 0.000 0.000 0.000 3/26460 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:43:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|